#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d52 s GLN 32 N -2.53 4.17 -0.26 0.00 -0.21 -1.26 -4.99 119.66 114.58 3d52 s GLN 32 Ca 0.58 2.07 -0.28 0.00 0.02 0.00 0.00 55.36 57.75 3d52 s GLN 32 Cb -0.22 -2.87 0.01 0.00 1.00 0.00 0.00 33.01 30.92 3d52 s GLN 32 CO 0.28 -0.29 0.99 0.34 -2.12 0.00 0.00 175.29 174.49 3d52 s ASP 33 N -0.77 6.98 0.00 5.90 -1.08 -1.26 -4.86 116.67 121.58 3d52 s ASP 33 Ca 0.53 1.19 0.23 0.00 -0.52 0.00 0.00 52.55 53.98 3d52 s ASP 33 Cb -0.36 -2.51 0.58 0.00 -1.46 0.00 0.00 42.92 39.17 3d52 s ASP 33 CO 0.47 -0.69 1.47 1.33 0.52 0.00 0.00 175.17 178.27 3d52 n VAL 34 N 5.45 0.27 -0.07 1.11 0.24 -1.26 -4.43 118.33 119.64 3d52 n VAL 34 Ca 0.10 -0.51 -0.12 0.00 -2.04 0.00 0.00 64.34 61.78 3d52 n VAL 34 Cb 0.47 0.77 -0.06 0.00 -1.47 0.00 0.00 33.84 33.54 3d52 n VAL 34 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3d52 n VAL 35 N 0.89 0.81 0.71 3.34 0.31 -1.26 -4.85 118.33 118.28 3d52 n VAL 35 Ca 0.17 -0.28 0.07 0.00 -0.01 0.00 0.00 64.34 64.30 3d52 n VAL 35 Cb 0.47 -1.21 -0.06 0.00 -0.91 0.00 0.00 33.84 32.13 3d52 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d52 n GLN 36 N -3.14 1.96 -4.05 5.55 6.02 -1.26 -4.16 117.38 118.30 3d52 n GLN 36 Ca -0.26 -0.20 -0.34 0.00 -0.01 0.00 0.00 57.00 56.18 3d52 n GLN 36 Cb 0.75 -1.22 -0.14 0.00 1.02 0.00 0.00 30.24 30.64 3d52 n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3d52 s ASP 37 N -2.28 4.14 -0.32 1.08 1.01 -1.26 -4.90 116.67 114.15 3d52 s ASP 37 Ca 0.08 -0.41 -0.28 0.00 0.71 0.00 0.00 52.55 52.65 3d52 s ASP 37 Cb 0.12 -1.69 0.01 0.00 1.01 0.00 0.00 42.92 42.37 3d52 s ASP 37 CO 0.56 0.01 1.03 -0.69 0.21 0.00 0.00 175.17 176.29 3d52 s VAL 38 N 1.29 4.56 0.51 -1.27 1.01 -1.26 -4.84 120.40 120.41 3d52 s VAL 38 Ca 0.03 1.65 -0.23 0.00 0.00 0.00 0.00 61.98 63.44 3d52 s VAL 38 Cb -0.14 -4.37 -0.06 0.00 0.00 0.00 0.00 36.38 31.81 3d52 s VAL 38 CO -0.03 -0.44 1.40 -2.84 0.00 0.00 0.00 175.10 173.19 3d52 s PRO 39 N 3.52 3.32 -0.33 2.72 0.02 -1.26 -4.96 135.00 138.02 3d52 s PRO 39 Ca 0.43 2.33 -0.13 0.00 0.02 0.00 0.00 61.00 63.66 3d52 s PRO 39 Cb -0.13 -2.40 -0.02 0.00 0.02 0.00 0.00 34.50 31.97 3d52 s PRO 39 CO 0.15 -1.08 0.24 1.21 -0.33 0.00 0.00 177.00 177.19 3d52 s ASN 40 N -0.76 6.06 0.14 2.53 2.47 -1.26 -5.07 114.94 119.06 3d52 s ASN 40 Ca 0.68 -0.36 0.04 0.00 0.42 0.00 0.00 52.86 53.64 3d52 s ASN 40 Cb -0.42 -2.14 -0.04 0.00 -1.45 0.00 0.00 41.25 37.19 3d52 s ASN 40 CO 0.52 -0.22 -0.10 0.68 -3.72 0.00 0.00 177.10 174.26 3d52 s VAL 41 N 1.74 1.15 0.15 -5.21 -7.23 -1.26 -5.06 120.40 104.68 3d52 s VAL 41 Ca 0.06 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.14 3d52 s VAL 41 Cb -0.17 -1.78 -0.06 0.00 0.56 0.00 0.00 36.38 34.93 3d52 s VAL 41 CO 0.11 -0.71 1.46 0.44 -0.31 0.00 0.00 175.10 176.09 3d52 h ASP 42 N 2.90 0.92 -3.20 4.85 3.32 -1.72 -3.41 116.42 120.08 3d52 h ASP 42 Ca -0.37 -0.46 -0.52 0.00 0.02 0.00 0.00 57.03 55.71 3d52 h ASP 42 Cb 1.19 -0.26 -0.37 0.00 0.22 0.00 0.00 39.33 40.11 3d52 h ASP 42 CO 0.62 1.24 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.89 3d52 s VAL 43 N -4.25 0.95 -0.24 -1.35 1.01 -0.45 -4.99 120.40 111.08 3d52 s VAL 43 Ca -0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 3d52 s VAL 43 Cb 0.11 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.51 3d52 s VAL 43 CO 0.88 0.33 -0.08 -1.58 0.00 0.00 0.00 175.10 174.65 3d52 s GLN 44 N 1.74 2.86 0.40 2.72 -0.44 -1.26 -1.05 119.66 124.62 3d52 s GLN 44 Ca 0.05 -0.95 0.09 0.00 -2.50 0.00 0.00 55.36 52.04 3d52 s GLN 44 Cb -0.13 -2.94 0.82 0.00 -1.64 0.00 0.00 33.01 29.12 3d52 s GLN 44 CO -0.08 -0.37 1.95 0.52 0.50 0.00 0.00 175.29 177.81 3d52 h MET 45 N 8.00 0.29 -0.40 1.67 2.86 -1.32 0.11 114.93 126.14 3d52 h MET 45 Ca -0.34 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.18 3d52 h MET 45 Cb 1.11 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 3d52 h MET 45 CO 0.58 0.36 -0.02 1.25 1.06 0.00 0.00 176.91 180.14 3d52 h LEU 46 N 0.29 0.71 -0.83 1.22 5.85 -1.93 -0.04 115.31 120.58 3d52 h LEU 46 Ca 0.06 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 3d52 h LEU 46 Cb 0.27 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3d52 h LEU 46 CO 0.01 0.86 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.53 3d52 h GLU 47 N 0.55 0.75 -0.37 1.25 5.08 -1.66 -1.97 114.58 118.22 3d52 h GLU 47 Ca 0.11 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 3d52 h GLU 47 Cb 0.51 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3d52 h GLU 47 CO 0.02 0.84 -0.01 1.25 -1.00 0.00 0.00 179.01 180.12 3d52 h LEU 48 N 0.68 0.64 -1.23 1.33 5.85 -0.54 -2.22 115.31 119.82 3d52 h LEU 48 Ca 0.12 -0.31 0.11 0.00 0.84 0.00 0.00 57.88 58.64 3d52 h LEU 48 Cb 0.59 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 3d52 h LEU 48 CO 0.04 0.80 0.57 1.88 -0.34 0.00 0.00 178.44 181.39 3d52 h TYR 49 N 0.47 0.90 -0.47 1.25 -1.99 -0.74 0.88 116.97 117.27 3d52 h TYR 49 Ca 0.10 0.03 -0.12 0.00 2.00 0.00 0.00 58.73 60.74 3d52 h TYR 49 Cb 0.48 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 3d52 h TYR 49 CO 0.04 0.38 -0.17 0.22 -0.00 0.00 0.00 178.16 178.64 3d52 h ASP 50 N 0.81 0.92 0.56 3.88 3.58 -0.77 -3.22 116.42 122.18 3d52 h ASP 50 Ca 0.43 -0.32 -0.28 0.00 0.42 0.00 0.00 57.03 57.28 3d52 h ASP 50 Cb 0.53 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 3d52 h ASP 50 CO -0.19 1.07 -1.55 0.03 -2.88 0.00 0.00 179.24 175.72 3d52 h ARG 51 N 0.80 0.07 -7.08 0.28 3.08 -1.00 -3.49 114.38 107.04 3d52 h ARG 51 Ca 0.12 -0.11 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3d52 h ARG 51 Cb 0.71 0.04 0.09 0.00 0.08 0.00 0.00 29.97 30.89 3d52 h ARG 51 CO 0.05 0.77 0.46 -1.64 -1.07 0.00 0.00 179.97 178.54 3d52 s MET 52 N -2.62 3.28 0.12 0.04 -1.94 0.25 -5.03 119.30 113.40 3d52 s MET 52 Ca -0.06 1.73 -0.20 0.00 -1.71 0.00 0.00 55.69 55.45 3d52 s MET 52 Cb 0.08 -2.04 -0.07 0.00 2.01 0.00 0.00 34.83 34.81 3d52 s MET 52 CO 0.82 -0.94 0.63 0.45 -0.01 0.00 0.00 175.02 175.98 3d52 s SER 53 N -1.63 7.10 -0.16 3.03 0.15 -1.26 -4.98 113.70 115.96 3d52 s SER 53 Ca 0.73 1.34 0.16 0.00 0.70 0.00 0.00 55.95 58.88 3d52 s SER 53 Cb -0.27 -2.39 0.53 0.00 -1.71 0.00 0.00 66.02 62.18 3d52 s SER 53 CO 0.31 0.20 1.43 0.49 1.20 0.00 0.00 173.24 176.87 3d52 n PHE 54 N 1.42 0.97 -2.08 3.44 3.01 -1.26 -4.97 117.46 117.99 3d52 n PHE 54 Ca -0.07 -0.81 -0.41 0.00 1.01 0.00 0.00 57.45 57.16 3d52 n PHE 54 Cb 0.50 -0.29 -0.02 0.00 -0.01 0.00 0.00 39.48 39.66 3d52 n PHE 54 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3d52 s LYS 55 N -2.55 4.31 -1.09 -1.08 -0.14 -1.26 -4.92 119.74 113.01 3d52 s LYS 55 Ca 0.41 2.24 -0.13 0.00 -1.36 0.00 0.00 55.97 57.13 3d52 s LYS 55 Cb 0.32 -3.11 0.21 0.00 -1.68 0.00 0.00 37.83 33.57 3d52 s LYS 55 CO 0.11 -0.33 1.19 0.34 -0.76 0.00 0.00 175.35 175.90 3d52 s ASP 56 N 0.12 7.08 -0.06 2.83 2.15 -1.26 -5.01 116.67 122.51 3d52 s ASP 56 Ca 0.56 -3.07 -0.04 0.00 0.43 0.00 0.00 52.55 50.43 3d52 s ASP 56 Cb -0.40 -2.30 -0.04 0.00 -0.30 0.00 0.00 42.92 39.87 3d52 s ASP 56 CO 0.45 -0.59 0.12 0.27 -0.17 0.00 0.00 175.17 175.25 3d52 s ILE 57 N 0.44 5.14 -0.30 4.11 -4.36 -1.26 -5.03 121.20 119.94 3d52 s ILE 57 Ca 0.34 -0.08 -0.29 0.00 -0.26 0.00 0.00 60.65 60.36 3d52 s ILE 57 Cb -0.07 -3.29 -0.01 0.00 1.25 0.00 0.00 42.46 40.34 3d52 s ILE 57 CO -0.05 0.49 1.59 -0.62 0.24 0.00 0.00 174.94 176.59 3d52 s ASP 58 N -1.37 6.26 0.00 4.36 -1.08 -1.26 -4.61 116.67 118.97 3d52 s ASP 58 Ca 0.19 1.32 0.19 0.00 -0.52 0.00 0.00 52.55 53.73 3d52 s ASP 58 Cb -0.12 -2.53 0.58 0.00 -1.46 0.00 0.00 42.92 39.39 3d52 s ASP 58 CO 0.09 -1.41 1.45 0.61 0.52 0.00 0.00 175.17 176.44 3d52 n GLY 59 N 4.94 0.80 0.57 2.66 0.00 0.81 -5.02 105.19 109.96 3d52 n GLY 59 Ca 0.19 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3d52 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d52 n GLY 60 N 1.23 0.91 0.36 -0.02 0.00 -1.26 -3.70 105.19 102.71 3d52 n GLY 60 Ca 0.16 -1.60 -0.03 0.00 0.00 0.00 0.00 46.02 44.55 3d52 n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3d52 h VAL 61 N 0.00 1.26 -1.73 1.61 -1.51 -1.92 -2.93 116.25 111.03 3d52 h VAL 61 Ca 0.00 -0.59 -0.62 0.00 -1.23 0.00 0.00 66.70 64.27 3d52 h VAL 61 Cb 0.00 -0.03 -0.12 0.00 -2.13 0.00 0.00 31.29 29.01 3d52 h VAL 61 CO 0.00 0.28 1.20 0.86 -1.23 0.00 0.00 177.57 178.67 3d52 s TRP 62 N -5.92 2.65 0.32 5.19 -0.00 -1.19 -4.50 118.94 115.49 3d52 s TRP 62 Ca -0.13 -0.84 0.03 0.00 -0.00 0.00 0.00 56.10 55.17 3d52 s TRP 62 Cb 0.17 -4.56 0.62 0.00 -0.00 0.00 0.00 33.47 29.70 3d52 s TRP 62 CO 0.82 -1.83 1.91 0.87 -0.00 0.00 0.00 176.95 178.73 3d52 h LYS 63 N 9.58 0.89 -0.59 5.86 1.79 -1.80 -1.23 116.57 131.07 3d52 h LYS 63 Ca 0.08 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 3d52 h LYS 63 Cb 1.02 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 3d52 h LYS 63 CO 1.31 0.59 0.00 1.04 -1.08 0.00 0.00 179.45 181.31 3d52 n GLN 64 N -4.51 3.53 0.00 3.15 6.02 -1.26 -0.13 117.38 124.18 3d52 n GLN 64 Ca 0.14 -2.79 0.00 0.00 -0.01 0.00 0.00 57.00 54.34 3d52 n GLN 64 Cb 0.26 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.71 3d52 n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3d52 n GLY 65 N 0.96 2.75 3.72 1.08 0.00 -0.46 -4.64 105.19 108.59 3d52 n GLY 65 Ca 0.24 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 3d52 n GLY 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3d52 s TRP 66 N 3.57 0.26 -0.55 1.61 -2.14 -1.25 -4.11 118.94 116.32 3d52 s TRP 66 Ca 0.00 -0.73 -0.28 0.00 2.66 0.00 0.00 56.10 57.76 3d52 s TRP 66 Cb 0.00 0.50 0.03 0.00 -3.10 0.00 0.00 33.47 30.90 3d52 s TRP 66 CO 0.00 -1.28 1.13 -0.80 -2.66 0.00 0.00 176.95 173.35 3d52 s ASN 67 N -3.05 6.47 0.10 -2.66 0.01 -1.24 -4.68 114.94 109.89 3d52 s ASN 67 Ca 0.18 0.11 -0.31 0.00 -0.71 0.00 0.00 52.86 52.14 3d52 s ASN 67 Cb -0.04 -2.53 -0.07 0.00 0.41 0.00 0.00 41.25 39.03 3d52 s ASN 67 CO 0.11 -1.38 1.25 -0.63 -1.51 0.00 0.00 177.10 174.94 3d52 s ILE 68 N 4.66 3.73 0.00 0.60 1.01 -1.26 -5.03 121.20 124.91 3d52 s ILE 68 Ca 0.42 1.28 0.03 0.00 0.00 0.00 0.00 60.65 62.38 3d52 s ILE 68 Cb -0.08 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 3d52 s ILE 68 CO 0.26 0.12 -0.07 -0.54 0.00 0.00 0.00 174.94 174.71 3d52 s LYS 69 N 0.78 2.53 0.04 2.79 1.02 -1.26 -4.97 119.74 120.68 3d52 s LYS 69 Ca 0.59 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.85 3d52 s LYS 69 Cb -0.32 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 3d52 s LYS 69 CO 0.31 0.60 -0.04 1.52 -0.92 0.00 0.00 175.35 176.82 3d52 s TYR 70 N -0.98 0.48 -0.40 3.18 1.13 -1.26 -4.99 117.35 114.50 3d52 s TYR 70 Ca 0.17 -0.70 -0.26 0.00 -1.41 0.00 0.00 57.07 54.87 3d52 s TYR 70 Cb -0.11 -0.32 0.02 0.00 -1.10 0.00 0.00 41.96 40.45 3d52 s TYR 70 CO 0.07 -0.21 0.93 0.34 -2.51 0.00 0.00 175.55 174.17 3d52 s ASP 71 N -2.02 6.61 0.46 -0.18 -1.08 -1.26 -4.94 116.67 114.27 3d52 s ASP 71 Ca -0.06 0.41 0.18 0.00 -0.52 0.00 0.00 52.55 52.56 3d52 s ASP 71 Cb -0.04 -2.46 1.16 0.00 -1.46 0.00 0.00 42.92 40.12 3d52 s ASP 71 CO -0.03 -0.93 1.96 1.55 0.52 0.00 0.00 175.17 178.23 3d52 h PRO 72 N 8.71 0.27 0.00 4.34 0.13 -1.99 -1.52 132.00 141.93 3d52 h PRO 72 Ca -0.24 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3d52 h PRO 72 Cb 1.08 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3d52 h PRO 72 CO 1.00 0.18 0.00 1.28 -0.23 0.00 0.00 178.00 180.23 3d52 n LEU 73 N -4.44 0.00 -0.23 1.56 4.77 -1.26 -3.44 117.00 113.95 3d52 n LEU 73 Ca 0.12 0.09 0.07 0.00 -0.03 0.00 0.00 56.01 56.26 3d52 n LEU 73 Cb 0.52 -0.09 0.33 0.00 -2.33 0.00 0.00 43.42 41.86 3d52 n LEU 73 CO 0.34 -0.02 1.23 0.50 -1.33 0.00 0.00 177.39 178.11 3d52 h LYS 74 N 0.00 0.79 -5.87 3.23 3.64 -1.68 -3.40 116.57 113.27 3d52 h LYS 74 Ca 0.00 -0.05 -0.66 0.00 -1.27 0.00 0.00 60.65 58.67 3d52 h LYS 74 Cb 0.07 -0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 31.61 3d52 h LYS 74 CO 0.00 0.52 -0.55 0.71 -2.27 0.00 0.00 179.45 177.86 3d52 s TYR 75 N -5.73 3.37 0.19 1.91 2.02 -1.22 -4.92 117.35 112.97 3d52 s TYR 75 Ca -0.10 0.31 -0.08 0.00 -0.37 0.00 0.00 57.07 56.83 3d52 s TYR 75 Cb 0.20 -1.82 0.03 0.00 -0.40 0.00 0.00 41.96 39.97 3d52 s TYR 75 CO 0.78 0.60 0.41 0.27 -1.57 0.00 0.00 175.55 176.04 3d52 n ASN 76 N 1.61 -1.14 -0.05 2.29 0.23 -0.46 -4.95 115.26 112.78 3d52 n ASN 76 Ca -0.16 -1.78 0.21 0.00 -0.53 0.00 0.00 54.58 52.32 3d52 n ASN 76 Cb 0.54 1.90 0.67 0.00 -2.08 0.00 0.00 39.78 40.81 3d52 n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3d52 h ALA 77 N 2.00 2.50 -0.01 -2.53 0.00 -1.96 -0.25 119.26 119.01 3d52 h ALA 77 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3d52 h ALA 77 Cb 0.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3d52 h ALA 77 CO 0.21 -0.68 -0.51 0.72 0.00 0.00 0.00 179.25 178.99 3d52 n HIS 78 N -4.38 0.00 -3.51 0.00 8.25 -1.26 -4.67 115.22 109.65 3d52 n HIS 78 Ca 0.12 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.29 3d52 n HIS 78 Cb 0.66 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.65 3d52 n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3d52 s HIS 79 N -2.32 1.12 0.19 4.41 5.04 -0.11 -5.13 115.29 118.49 3d52 s HIS 79 Ca 0.14 -1.95 -0.01 0.00 -1.54 0.00 0.00 55.06 51.70 3d52 s HIS 79 Cb 0.15 -1.16 -0.04 0.00 0.04 0.00 0.00 32.58 31.57 3d52 s HIS 79 CO 0.55 -0.81 0.38 0.15 -2.34 0.00 0.00 174.74 172.67 3d52 s LYS 80 N 0.68 3.52 -0.19 2.88 1.02 -1.23 -1.36 119.74 125.07 3d52 s LYS 80 Ca 0.21 -0.33 -0.27 0.00 0.02 0.00 0.00 55.97 55.60 3d52 s LYS 80 Cb -0.18 -2.85 -0.01 0.00 -0.52 0.00 0.00 37.83 34.27 3d52 s LYS 80 CO -0.03 0.42 0.90 -1.17 -0.92 0.00 0.00 175.35 174.55 3d52 s LEU 81 N -3.23 4.14 -0.32 3.17 2.96 -0.01 -4.88 118.68 120.51 3d52 s LEU 81 Ca 0.38 1.23 -0.13 0.00 -0.22 0.00 0.00 54.13 55.40 3d52 s LEU 81 Cb -0.11 -3.34 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 3d52 s LEU 81 CO 0.29 -0.50 0.26 -0.54 -1.32 0.00 0.00 176.35 174.54 3d52 s LYS 82 N 2.57 3.65 -0.16 1.98 1.02 0.33 -1.01 119.74 128.12 3d52 s LYS 82 Ca 0.40 -0.48 -0.02 0.00 0.02 0.00 0.00 55.97 55.89 3d52 s LYS 82 Cb -0.16 -3.76 -0.02 0.00 -0.52 0.00 0.00 37.83 33.37 3d52 s LYS 82 CO 0.10 -0.39 -0.08 0.08 -0.92 0.00 0.00 175.35 174.14 3d52 s VAL 83 N 1.82 3.41 -0.31 3.17 1.01 -0.12 -0.13 120.40 129.24 3d52 s VAL 83 Ca 0.08 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 3d52 s VAL 83 Cb -0.17 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.77 3d52 s VAL 83 CO 0.11 0.49 0.06 -0.36 0.00 0.00 0.00 175.10 175.40 3d52 s PHE 84 N 0.60 3.21 -0.29 5.22 0.08 -0.12 -1.48 117.98 125.19 3d52 s PHE 84 Ca -0.05 -1.42 -0.18 0.00 0.12 0.00 0.00 56.93 55.40 3d52 s PHE 84 Cb -0.15 -2.22 -0.02 0.00 -0.57 0.00 0.00 43.02 40.07 3d52 s PHE 84 CO 0.03 -0.71 0.51 0.08 -0.10 0.00 0.00 175.22 175.04 3d52 s VAL 85 N 1.39 5.05 -0.38 -0.44 1.01 -0.05 -0.37 120.40 126.61 3d52 s VAL 85 Ca -0.01 0.68 -0.00 0.00 0.00 0.00 0.00 61.98 62.65 3d52 s VAL 85 Cb -0.19 -3.88 0.11 0.00 0.00 0.00 0.00 36.38 32.42 3d52 s VAL 85 CO 0.01 -0.03 0.14 -0.69 0.00 0.00 0.00 175.10 174.54 3d52 s VAL 86 N 2.35 2.90 0.31 2.92 1.01 0.24 -0.59 120.40 129.54 3d52 s VAL 86 Ca 0.20 -2.16 -0.29 0.00 0.00 0.00 0.00 61.98 59.74 3d52 s VAL 86 Cb -0.15 -3.03 -0.10 0.00 0.00 0.00 0.00 36.38 33.09 3d52 s VAL 86 CO 0.11 -0.64 1.33 -2.84 0.00 0.00 0.00 175.10 173.05 3d52 s PRO 87 N 1.05 4.34 0.24 2.72 0.02 -1.26 -0.70 135.00 141.41 3d52 s PRO 87 Ca 0.09 2.22 -0.14 0.00 0.02 0.00 0.00 61.00 63.19 3d52 s PRO 87 Cb -0.21 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.22 3d52 s PRO 87 CO -0.06 -0.23 0.50 -3.38 -0.33 0.00 0.00 177.00 173.50 3d52 s HIS 88 N -0.87 0.24 -0.21 6.54 -3.43 -0.70 -1.75 115.29 115.12 3d52 s HIS 88 Ca 0.51 -0.62 -0.04 0.00 -0.80 0.00 0.00 55.06 54.12 3d52 s HIS 88 Cb -0.40 0.26 0.10 0.00 -1.43 0.00 0.00 32.58 31.12 3d52 s HIS 88 CO 0.50 -1.00 0.31 0.45 -2.00 0.00 0.00 174.74 173.00 3d52 s SER 89 N -2.99 0.59 -0.37 7.38 0.15 -1.26 -3.83 113.70 113.37 3d52 s SER 89 Ca 0.19 0.21 -0.29 0.00 0.70 0.00 0.00 55.95 56.76 3d52 s SER 89 Cb -0.01 0.82 0.02 0.00 -1.71 0.00 0.00 66.02 65.14 3d52 s SER 89 CO 0.07 -0.29 1.13 -2.28 1.20 0.00 0.00 173.24 173.07 3d52 s HIS 90 N 2.46 2.96 -0.32 3.44 2.46 -0.22 -4.75 115.29 121.32 3d52 s HIS 90 Ca 0.08 0.98 -0.00 0.00 0.47 0.00 0.00 55.06 56.58 3d52 s HIS 90 Cb -0.15 -3.99 0.07 0.00 -0.13 0.00 0.00 32.58 28.39 3d52 s HIS 90 CO -0.13 -1.08 0.03 -0.80 -2.47 0.00 0.00 174.74 170.29 3d52 s ASN 91 N 2.12 4.88 -0.07 9.88 0.01 -1.26 -0.31 114.94 130.18 3d52 s ASN 91 Ca 0.48 -1.60 -0.30 0.00 -0.71 0.00 0.00 52.86 50.73 3d52 s ASN 91 Cb -0.11 -1.70 -0.03 0.00 0.41 0.00 0.00 41.25 39.83 3d52 s ASN 91 CO 0.22 -0.33 1.13 -1.81 -1.51 0.00 0.00 177.10 174.80 3d52 s ASP 92 N 1.29 7.12 -1.34 -1.22 1.01 -1.26 -4.90 116.67 117.39 3d52 s ASP 92 Ca -0.00 1.72 -0.16 0.00 0.71 0.00 0.00 52.55 54.82 3d52 s ASP 92 Cb -0.20 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.18 3d52 s ASP 92 CO -0.03 -0.53 2.15 -2.65 0.21 0.00 0.00 175.17 174.32 3d52 n PRO 93 N 5.08 2.63 -0.01 8.23 -0.02 -1.26 -4.61 135.00 145.04 3d52 n PRO 93 Ca 0.10 -2.51 0.00 0.00 -2.02 0.00 0.00 63.50 59.07 3d52 n PRO 93 Cb 0.47 -3.24 0.00 0.00 -0.02 0.00 0.00 33.50 30.71 3d52 n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d52 n GLY 94 N 4.25 1.31 0.00 -1.23 0.00 -1.26 -4.53 105.19 103.73 3d52 n GLY 94 Ca 0.51 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3d52 n GLY 94 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3d52 n TRP 95 N 2.76 0.00 0.13 1.61 -0.00 -1.26 -4.67 117.44 116.01 3d52 n TRP 95 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.61 3d52 n TRP 95 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.28 3d52 n TRP 95 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 177.69 178.13 3d52 n ILE 96 N -0.47 0.46 -4.54 5.87 -5.35 -1.26 -0.96 119.36 113.11 3d52 n ILE 96 Ca 0.00 -0.51 -0.26 0.00 -0.27 0.00 0.00 62.75 61.72 3d52 n ILE 96 Cb 0.00 -0.23 -0.11 0.00 -1.74 0.00 0.00 39.64 37.57 3d52 n ILE 96 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3d52 s GLN 97 N -3.38 1.81 0.82 6.28 -0.21 -1.26 -4.81 119.66 118.92 3d52 s GLN 97 Ca -0.01 -1.96 -0.12 0.00 0.02 0.00 0.00 55.36 53.29 3d52 s GLN 97 Cb 0.11 -1.59 0.08 0.00 1.00 0.00 0.00 33.01 32.61 3d52 s GLN 97 CO 0.81 0.07 1.10 0.95 -2.12 0.00 0.00 175.29 176.10 3d52 s THR 98 N -2.71 2.92 0.22 -0.19 -4.23 -1.26 -4.14 115.64 106.25 3d52 s THR 98 Ca 0.33 0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 61.02 3d52 s THR 98 Cb 0.05 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 71.14 3d52 s THR 98 CO 0.16 -0.39 1.63 0.15 -0.54 0.00 0.00 174.62 175.63 3d52 h PHE 99 N -1.20 -0.28 -0.02 3.99 3.57 -1.90 0.04 116.94 121.13 3d52 h PHE 99 Ca -0.48 0.06 -0.17 0.00 3.53 0.00 0.00 57.97 60.91 3d52 h PHE 99 Cb 1.28 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.23 3d52 h PHE 99 CO 0.45 -0.27 -0.74 1.49 -2.23 0.00 0.00 178.31 177.01 3d52 h GLU 100 N 0.02 0.15 -0.10 1.11 4.57 -1.97 -0.85 114.58 117.52 3d52 h GLU 100 Ca 0.33 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 3d52 h GLU 100 Cb 0.51 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3d52 h GLU 100 CO -0.66 0.82 0.02 0.93 -1.18 0.00 0.00 179.01 178.94 3d52 h GLU 101 N 0.10 0.16 -0.78 1.92 5.08 -1.78 -1.34 114.58 117.94 3d52 h GLU 101 Ca -0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3d52 h GLU 101 Cb 1.31 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 3d52 h GLU 101 CO 0.11 0.35 0.40 1.88 -1.00 0.00 0.00 179.01 180.75 3d52 h TYR 102 N -0.05 1.10 -0.45 4.33 0.05 -0.93 -0.09 116.97 120.92 3d52 h TYR 102 Ca 0.03 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 3d52 h TYR 102 Cb 0.26 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 3d52 h TYR 102 CO 0.01 0.78 0.19 -0.92 -1.05 0.00 0.00 178.16 177.17 3d52 h TYR 103 N 1.10 0.68 -0.34 4.88 3.20 -0.83 0.14 116.97 125.80 3d52 h TYR 103 Ca 0.27 -0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.95 3d52 h TYR 103 Cb 0.07 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3d52 h TYR 103 CO 0.01 0.57 -0.39 1.96 -1.64 0.00 0.00 178.16 178.68 3d52 h GLN 104 N 0.59 0.82 0.01 1.82 1.08 -0.95 0.17 115.11 118.65 3d52 h GLN 104 Ca 0.15 -0.42 -0.28 0.00 -1.45 0.00 0.00 58.65 56.65 3d52 h GLN 104 Cb 0.17 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.57 3d52 h GLN 104 CO -0.01 1.06 -1.55 0.45 -0.95 0.00 0.00 178.83 177.82 3d52 h HIS 105 N 0.67 0.04 0.00 2.96 3.86 -0.89 -3.45 115.15 118.35 3d52 h HIS 105 Ca 0.06 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3d52 h HIS 105 Cb 0.95 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 3d52 h HIS 105 CO 0.05 1.05 0.00 -0.25 0.86 0.00 0.00 177.93 179.65 3d52 n ASP 106 N -3.15 0.23 -0.00 2.45 8.00 0.31 -4.89 116.55 119.49 3d52 n ASP 106 Ca -0.14 0.26 -0.03 0.00 0.71 0.00 0.00 54.79 55.60 3d52 n ASP 106 Cb 1.03 0.09 0.21 0.00 -0.02 0.00 0.00 41.12 42.43 3d52 n ASP 106 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3d52 h THR 107 N 0.00 1.25 -0.25 -3.53 2.02 -1.06 -1.24 112.91 110.11 3d52 h THR 107 Ca 0.00 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 65.99 3d52 h THR 107 Cb 0.00 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3d52 h THR 107 CO 0.00 0.37 -0.06 0.07 0.37 0.00 0.00 175.52 176.27 3d52 h LYS 108 N 0.48 0.38 -0.23 6.66 2.10 -1.18 -1.01 116.57 123.78 3d52 h LYS 108 Ca 0.08 -0.08 -0.15 0.00 -2.00 0.00 0.00 60.65 58.50 3d52 h LYS 108 Cb 0.58 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 3d52 h LYS 108 CO 0.04 0.47 -0.43 0.45 -2.00 0.00 0.00 179.45 177.97 3d52 h HIS 109 N 0.37 0.88 -0.18 0.07 3.86 -1.56 -1.07 115.15 117.53 3d52 h HIS 109 Ca 0.08 -0.32 -0.00 0.00 -1.16 0.00 0.00 60.37 58.97 3d52 h HIS 109 Cb 0.35 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 3d52 h HIS 109 CO 0.01 1.09 0.11 0.82 0.86 0.00 0.00 177.93 180.82 3d52 h ILE 110 N 0.42 1.08 -0.27 2.45 2.04 -0.73 0.07 117.51 122.56 3d52 h ILE 110 Ca 0.01 -0.18 -0.16 0.00 1.00 0.00 0.00 64.86 65.53 3d52 h ILE 110 Cb 1.04 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3d52 h ILE 110 CO 0.10 0.07 -0.47 -0.07 0.00 0.00 0.00 178.15 177.78 3d52 h LEU 111 N 0.21 0.79 -0.43 1.44 3.38 -1.20 0.17 115.31 119.66 3d52 h LEU 111 Ca 0.06 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3d52 h LEU 111 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3d52 h LEU 111 CO -0.01 1.13 0.22 -1.28 0.09 0.00 0.00 178.44 178.59 3d52 h SER 112 N 0.58 0.55 0.15 -0.43 0.87 -1.11 -1.53 113.55 112.62 3d52 h SER 112 Ca 0.03 -0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.37 3d52 h SER 112 Cb 1.03 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 3d52 h SER 112 CO 0.10 0.50 -0.42 0.78 -0.53 0.00 0.00 176.83 177.26 3d52 h ASN 113 N 0.56 0.37 -0.30 6.23 2.35 -0.84 -2.18 115.58 121.77 3d52 h ASN 113 Ca 0.15 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3d52 h ASN 113 Cb 0.08 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3d52 h ASN 113 CO -0.02 0.76 0.20 0.00 -1.65 0.00 0.00 177.43 176.71 3d52 h ALA 114 N 1.26 0.38 -0.32 -0.83 0.00 -0.48 1.00 119.26 120.27 3d52 h ALA 114 Ca 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d52 h ALA 114 Cb 0.87 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3d52 h ALA 114 CO 0.07 -0.15 0.19 1.25 0.00 0.00 0.00 179.25 180.61 3d52 h LEU 115 N 0.40 0.39 0.44 0.00 5.85 -1.06 -0.04 115.31 121.30 3d52 h LEU 115 Ca 0.11 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3d52 h LEU 115 Cb -0.04 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.90 3d52 h LEU 115 CO -0.02 0.34 -0.21 -0.09 -0.34 0.00 0.00 178.44 178.12 3d52 h ARG 116 N 0.41 -0.57 -0.57 1.25 2.43 -1.22 -2.00 114.38 114.10 3d52 h ARG 116 Ca 0.11 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 3d52 h ARG 116 Cb 0.03 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3d52 h ARG 116 CO -0.02 -0.34 -0.00 0.45 -1.51 0.00 0.00 179.97 178.55 3d52 h HIS 117 N -0.68 1.07 -0.31 2.20 3.86 -0.68 -0.72 115.15 119.88 3d52 h HIS 117 Ca -0.06 -0.18 -0.17 0.00 -1.16 0.00 0.00 60.37 58.80 3d52 h HIS 117 Cb 0.50 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.69 3d52 h HIS 117 CO -0.02 0.96 -0.48 -0.07 0.86 0.00 0.00 177.93 179.17 3d52 h LEU 118 N 0.91 0.92 -0.57 2.43 3.38 -1.07 -0.53 115.31 120.78 3d52 h LEU 118 Ca 0.17 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.69 3d52 h LEU 118 Cb 0.53 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3d52 h LEU 118 CO 0.03 1.24 0.36 -0.74 0.09 0.00 0.00 178.44 179.42 3d52 h HIS 119 N 0.67 0.68 0.00 1.13 2.76 -1.13 -2.66 115.15 116.58 3d52 h HIS 119 Ca 0.03 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3d52 h HIS 119 Cb 1.07 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.80 3d52 h HIS 119 CO 0.06 0.40 -0.05 -0.25 -1.30 0.00 0.00 177.93 176.80 3d52 n ASP 120 N -4.73 0.69 -3.63 3.26 8.00 -0.30 -4.49 116.55 115.35 3d52 n ASP 120 Ca 0.04 0.53 -0.29 0.00 0.71 0.00 0.00 54.79 55.79 3d52 n ASP 120 Cb 0.06 -0.68 -0.12 0.00 -0.02 0.00 0.00 41.12 40.36 3d52 n ASP 120 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3d52 s ASN 121 N -4.27 3.21 0.60 -2.24 0.01 -0.23 -5.01 114.94 107.01 3d52 s ASN 121 Ca 0.11 -2.84 0.31 0.00 -0.71 0.00 0.00 52.86 49.72 3d52 s ASN 121 Cb 0.13 -0.89 1.75 0.00 0.41 0.00 0.00 41.25 42.65 3d52 s ASN 121 CO 0.60 -0.22 2.13 -0.65 -1.51 0.00 0.00 177.10 177.44 3d52 h PRO 122 N 6.32 0.00 -0.00 -0.60 0.11 -1.79 -1.00 132.00 135.04 3d52 h PRO 122 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3d52 h PRO 122 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3d52 h PRO 122 CO 0.46 0.00 -0.46 0.39 -0.21 0.00 0.00 178.00 178.18 3d52 n GLU 123 N -3.66 0.17 -2.60 1.05 -0.58 -1.26 -4.89 120.64 108.86 3d52 n GLU 123 Ca 0.00 -0.10 -0.35 0.00 -0.42 0.00 0.00 57.16 56.29 3d52 n GLU 123 Cb 0.28 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.61 3d52 n GLU 123 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3d52 s MET 124 N -2.90 4.11 0.22 3.49 1.75 -0.38 -4.64 119.30 120.95 3d52 s MET 124 Ca 0.14 1.41 0.03 0.00 -1.25 0.00 0.00 55.69 56.01 3d52 s MET 124 Cb 0.18 -2.40 -0.05 0.00 2.84 0.00 0.00 34.83 35.40 3d52 s MET 124 CO 0.67 -0.17 0.01 0.15 -0.65 0.00 0.00 175.02 175.03 3d52 s LYS 125 N -2.74 1.29 -0.21 4.11 -0.14 -1.26 -4.77 119.74 116.01 3d52 s LYS 125 Ca 0.60 -1.65 -0.27 0.00 -1.36 0.00 0.00 55.97 53.29 3d52 s LYS 125 Cb -0.19 -0.48 0.10 0.00 -1.68 0.00 0.00 37.83 35.58 3d52 s LYS 125 CO 0.23 -0.13 0.87 0.12 -0.76 0.00 0.00 175.35 175.69 3d52 s PHE 126 N -3.52 -0.58 0.10 3.18 5.36 -0.22 -4.37 117.98 117.93 3d52 s PHE 126 Ca 0.29 1.27 0.08 0.00 -0.96 0.00 0.00 56.93 57.60 3d52 s PHE 126 Cb 0.06 0.36 -0.04 0.00 -0.34 0.00 0.00 43.02 43.06 3d52 s PHE 126 CO 0.08 -0.36 -0.15 0.96 -1.46 0.00 0.00 175.22 174.29 3d52 s ILE 127 N -0.25 3.05 -0.03 3.12 -4.36 -0.72 -1.39 121.20 120.63 3d52 s ILE 127 Ca -0.01 -1.35 0.01 0.00 -0.26 0.00 0.00 60.65 59.04 3d52 s ILE 127 Cb -0.03 -2.39 0.02 0.00 1.25 0.00 0.00 42.46 41.31 3d52 s ILE 127 CO 0.00 0.15 -0.02 0.86 0.24 0.00 0.00 174.94 176.17 3d52 s TRP 128 N -1.13 0.45 -0.19 1.37 -0.11 -0.39 -4.40 118.94 114.53 3d52 s TRP 128 Ca 0.19 -0.07 -0.02 0.00 1.22 0.00 0.00 56.10 57.41 3d52 s TRP 128 Cb -0.11 -0.44 -0.11 0.00 -1.50 0.00 0.00 33.47 31.31 3d52 s TRP 128 CO 0.11 -0.12 -0.20 0.00 -4.62 0.00 0.00 176.95 172.12 3d52 n ALA 129 N 3.86 1.62 -3.02 5.86 0.00 -1.26 -0.84 120.51 126.73 3d52 n ALA 129 Ca -0.24 -0.81 -0.44 0.00 0.00 0.00 0.00 53.44 51.95 3d52 n ALA 129 Cb 0.52 0.12 -0.05 0.00 0.00 0.00 0.00 19.45 20.04 3d52 n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3d52 s GLU 130 N -2.38 3.07 0.44 0.00 8.01 -1.26 -4.05 118.70 122.53 3d52 s GLU 130 Ca -0.26 -1.17 0.22 0.00 0.01 0.00 0.00 54.97 53.76 3d52 s GLU 130 Cb 0.08 -4.23 0.98 0.00 -4.31 0.00 0.00 34.13 26.64 3d52 s GLU 130 CO 0.41 -1.54 1.87 0.82 0.01 0.00 0.00 175.26 176.83 3d52 h ILE 131 N 5.93 0.75 -0.59 -1.63 1.08 -1.12 -2.69 117.51 119.24 3d52 h ILE 131 Ca -0.29 -1.09 0.09 0.00 -0.39 0.00 0.00 64.86 63.18 3d52 h ILE 131 Cb 1.09 1.68 -0.07 0.00 -3.07 0.00 0.00 36.82 36.44 3d52 h ILE 131 CO 1.10 0.25 0.22 0.77 -0.69 0.00 0.00 178.15 179.80 3d52 h SER 132 N 0.00 0.22 -0.24 1.72 4.64 -1.38 0.25 113.55 118.76 3d52 h SER 132 Ca -0.00 0.07 -0.20 0.00 -0.47 0.00 0.00 61.79 61.19 3d52 h SER 132 Cb 0.66 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3d52 h SER 132 CO 0.03 0.13 -0.63 1.88 -0.87 0.00 0.00 176.83 177.38 3d52 h TYR 133 N 0.40 1.10 -0.67 4.77 0.05 -1.74 -2.06 116.97 118.81 3d52 h TYR 133 Ca 0.29 -0.43 -0.07 0.00 0.05 0.00 0.00 58.73 58.58 3d52 h TYR 133 Cb 0.35 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.87 3d52 h TYR 133 CO -0.17 1.26 0.13 0.35 -1.05 0.00 0.00 178.16 178.69 3d52 h PHE 134 N 0.63 1.15 -0.49 4.88 3.57 -1.06 -0.88 116.94 124.75 3d52 h PHE 134 Ca -0.01 -0.15 -0.10 0.00 3.53 0.00 0.00 57.97 61.25 3d52 h PHE 134 Cb 1.25 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 3d52 h PHE 134 CO 0.08 0.95 -0.07 0.00 -2.23 0.00 0.00 178.31 177.04 3d52 h ALA 135 N 1.11 0.67 -0.83 2.41 0.00 -0.55 0.89 119.26 122.95 3d52 h ALA 135 Ca 0.21 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3d52 h ALA 135 Cb 0.40 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3d52 h ALA 135 CO 0.01 0.54 0.55 -0.09 0.00 0.00 0.00 179.25 180.25 3d52 h ARG 136 N 0.77 0.98 -0.02 0.00 9.65 -0.87 -2.35 114.38 122.54 3d52 h ARG 136 Ca 0.13 -0.06 -0.13 0.00 -1.10 0.00 0.00 59.98 58.82 3d52 h ARG 136 Cb 0.61 -0.22 0.01 0.00 -1.39 0.00 0.00 29.97 28.98 3d52 h ARG 136 CO 0.04 0.65 -0.51 0.35 2.80 0.00 0.00 179.97 183.29 3d52 h PHE 137 N 1.01 0.55 -0.09 2.20 3.57 -0.84 -3.34 116.94 120.00 3d52 h PHE 137 Ca 0.34 -0.29 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 3d52 h PHE 137 Cb 0.08 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3d52 h PHE 137 CO -0.00 1.09 -0.35 -0.92 -2.23 0.00 0.00 178.31 175.90 3d52 h TYR 138 N -0.15 0.21 -0.00 0.41 3.20 -0.55 -1.29 116.97 118.79 3d52 h TYR 138 Ca -0.06 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.76 3d52 h TYR 138 Cb 1.22 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.44 3d52 h TYR 138 CO 0.15 0.51 -0.02 0.72 -1.64 0.00 0.00 178.16 177.88 3d52 n HIS 139 N -4.09 0.00 0.95 -3.82 8.25 -0.91 -1.75 115.22 113.86 3d52 n HIS 139 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.56 3d52 n HIS 139 Cb 0.42 -0.35 0.30 0.00 1.12 0.00 0.00 29.99 31.48 3d52 n HIS 139 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3d52 n ASP 140 N -1.34 2.44 -4.80 0.41 8.00 -0.49 -4.95 116.55 115.82 3d52 n ASP 140 Ca 0.12 -1.82 -0.39 0.00 0.71 0.00 0.00 54.79 53.41 3d52 n ASP 140 Cb 0.28 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.21 3d52 n ASP 140 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3d52 s LEU 141 N -1.70 4.50 0.95 0.64 1.43 -0.72 -5.09 118.68 118.69 3d52 s LEU 141 Ca 0.34 1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 54.56 3d52 s LEU 141 Cb 0.20 -2.91 0.16 0.00 0.03 0.00 0.00 46.19 43.68 3d52 s LEU 141 CO 0.30 0.23 1.10 -0.83 0.23 0.00 0.00 176.35 177.38 3d52 s GLY 142 N -0.85 1.58 0.27 -3.19 0.00 -1.26 -4.80 107.32 99.07 3d52 s GLY 142 Ca 0.30 -0.33 -0.04 0.00 0.00 0.00 0.00 44.72 44.65 3d52 s GLY 142 CO 0.19 0.24 1.91 -2.09 0.00 0.00 0.00 173.10 173.34 3d52 h GLU 143 N -1.70 1.13 -0.29 2.90 4.57 -1.98 -0.76 114.58 118.44 3d52 h GLU 143 Ca -0.52 -0.11 0.01 0.00 -1.18 0.00 0.00 59.36 57.56 3d52 h GLU 143 Cb 1.32 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 3d52 h GLU 143 CO 0.58 0.80 0.17 -0.91 -1.18 0.00 0.00 179.01 178.48 3d52 h ASN 144 N 1.15 0.28 0.33 1.04 2.35 -2.00 -0.35 115.58 118.38 3d52 h ASN 144 Ca 0.30 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.90 3d52 h ASN 144 Cb -0.03 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3d52 h ASN 144 CO -0.05 0.20 -0.60 0.11 -1.65 0.00 0.00 177.43 175.44 3d52 h LYS 145 N 0.35 0.27 -0.41 0.81 1.79 -1.81 -1.92 116.57 115.65 3d52 h LYS 145 Ca 0.12 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 3d52 h LYS 145 Cb -0.00 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 3d52 h LYS 145 CO -0.05 0.78 0.22 0.87 -1.08 0.00 0.00 179.45 180.19 3d52 h LYS 146 N 0.20 0.58 -0.49 3.15 1.57 -0.80 0.65 116.57 121.43 3d52 h LYS 146 Ca -0.01 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3d52 h LYS 146 Cb 1.10 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 3d52 h LYS 146 CO 0.09 0.48 0.30 -0.07 -0.57 0.00 0.00 179.45 179.69 3d52 h LEU 147 N 0.53 0.58 -0.85 2.94 3.38 -0.88 0.11 115.31 121.12 3d52 h LEU 147 Ca 0.14 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.17 3d52 h LEU 147 Cb 0.08 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 3d52 h LEU 147 CO -0.02 0.45 0.49 1.56 0.09 0.00 0.00 178.44 181.02 3d52 h GLN 148 N 0.65 0.79 -0.33 1.13 4.20 -1.15 -0.44 115.11 119.96 3d52 h GLN 148 Ca 0.18 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 3d52 h GLN 148 Cb -0.02 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3d52 h GLN 148 CO -0.03 0.52 -0.07 1.98 -0.67 0.00 0.00 178.83 180.56 3d52 h MET 149 N 0.81 0.63 -0.42 1.46 4.05 -0.40 -2.10 114.93 118.97 3d52 h MET 149 Ca 0.42 -0.24 -0.02 0.00 -0.28 0.00 0.00 59.70 59.57 3d52 h MET 149 Cb 0.39 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 3d52 h MET 149 CO -0.26 0.80 0.17 0.87 0.23 0.00 0.00 176.91 178.73 3d52 h LYS 150 N 0.41 0.59 -0.61 0.39 1.57 -0.13 -2.23 116.57 116.57 3d52 h LYS 150 Ca 0.08 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3d52 h LYS 150 Cb 0.57 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3d52 h LYS 150 CO 0.03 0.49 0.02 0.66 -0.57 0.00 0.00 179.45 180.08 3d52 h SER 151 N 0.59 1.05 1.47 0.86 4.64 -0.49 0.12 113.55 121.79 3d52 h SER 151 Ca 0.15 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3d52 h SER 151 Cb 0.12 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 3d52 h SER 151 CO -0.01 1.09 0.00 0.16 -0.87 0.00 0.00 176.83 177.19 3d52 h ILE 152 N 0.97 0.00 0.04 0.95 3.07 -1.08 -2.06 117.51 119.41 3d52 h ILE 152 Ca 0.18 -0.62 -0.08 0.00 1.55 0.00 0.00 64.86 65.88 3d52 h ILE 152 Cb 0.54 1.58 0.01 0.00 -0.27 0.00 0.00 36.82 38.68 3d52 h ILE 152 CO 0.03 0.00 -0.33 0.58 -1.05 0.00 0.00 178.15 177.37 3d52 h VAL 153 N 0.00 1.61 -0.68 0.16 2.07 -1.08 -0.49 116.25 117.84 3d52 h VAL 153 Ca 0.00 -2.22 0.07 0.00 0.82 0.00 0.00 66.70 65.37 3d52 h VAL 153 Cb 0.74 3.05 -0.06 0.00 -1.52 0.00 0.00 31.29 33.50 3d52 h VAL 153 CO 0.00 0.60 0.36 0.50 0.02 0.00 0.00 177.57 179.05 3d52 h LYS 154 N -0.60 0.63 -0.01 1.57 3.64 -0.88 -1.77 116.57 119.15 3d52 h LYS 154 Ca -0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3d52 h LYS 154 Cb 1.18 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3d52 h LYS 154 CO 0.06 0.41 0.00 0.27 -2.27 0.00 0.00 179.45 177.93 3d52 n ASN 155 N -4.82 0.46 0.00 4.20 6.94 -0.78 -4.91 115.26 116.35 3d52 n ASN 155 Ca 0.09 -1.22 0.00 0.00 -0.02 0.00 0.00 54.58 53.43 3d52 n ASN 155 Cb 0.21 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 3d52 n ASN 155 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3d52 n GLY 156 N 1.02 0.72 0.13 4.83 0.00 -0.66 -4.94 105.19 106.28 3d52 n GLY 156 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 3d52 n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3d52 h GLN 157 N 2.45 0.36 -4.86 1.61 4.20 -1.49 -3.41 115.11 113.98 3d52 h GLN 157 Ca 0.00 -0.50 -0.66 0.00 0.06 0.00 0.00 58.65 57.55 3d52 h GLN 157 Cb 0.00 0.17 -0.18 0.00 0.30 0.00 0.00 27.48 27.77 3d52 h GLN 157 CO 0.00 1.19 -0.42 -1.17 -0.67 0.00 0.00 178.83 177.76 3d52 s LEU 158 N -8.07 4.34 -0.12 1.46 2.96 -0.30 -1.05 118.68 117.90 3d52 s LEU 158 Ca -0.13 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 3d52 s LEU 158 Cb 0.02 -2.21 -0.00 0.00 0.50 0.00 0.00 46.19 44.50 3d52 s LEU 158 CO 0.83 -0.21 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.75 3d52 s GLU 159 N 1.83 3.13 0.07 1.98 2.12 -0.48 -4.32 118.70 123.04 3d52 s GLU 159 Ca 0.08 -0.82 -0.27 0.00 0.36 0.00 0.00 54.97 54.32 3d52 s GLU 159 Cb -0.17 -2.43 -0.06 0.00 0.26 0.00 0.00 34.13 31.74 3d52 s GLU 159 CO 0.11 0.13 0.85 -0.06 -0.54 0.00 0.00 175.26 175.75 3d52 s PHE 160 N 0.48 3.77 -0.09 5.30 0.08 -1.26 -1.27 117.98 124.99 3d52 s PHE 160 Ca -0.14 1.61 0.04 0.00 0.12 0.00 0.00 56.93 58.56 3d52 s PHE 160 Cb -0.17 -2.92 -0.01 0.00 -0.57 0.00 0.00 43.02 39.35 3d52 s PHE 160 CO 0.05 0.25 -0.20 0.14 -0.10 0.00 0.00 175.22 175.36 3d52 s VAL 161 N -0.04 2.45 0.00 -0.44 -7.23 -0.02 -4.66 120.40 110.47 3d52 s VAL 161 Ca 0.42 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 3d52 s VAL 161 Cb -0.22 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.77 3d52 s VAL 161 CO 0.26 0.56 0.00 0.41 -0.31 0.00 0.00 175.10 176.02 3d52 n THR 162 N 3.17 0.00 -0.92 5.32 -1.04 0.30 -4.26 114.28 116.84 3d52 n THR 162 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 3d52 n THR 162 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 3d52 n THR 162 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3d52 n GLY 163 N 0.00 0.51 3.80 3.41 0.00 -1.26 -4.68 105.19 106.97 3d52 n GLY 163 Ca 0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 3d52 n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d52 s GLY 164 N -2.21 1.62 0.38 -0.02 0.00 -1.26 -1.87 107.32 103.96 3d52 s GLY 164 Ca 0.00 -0.25 0.06 0.00 0.00 0.00 0.00 44.72 44.53 3d52 s GLY 164 CO 0.00 0.20 2.01 -0.25 0.00 0.00 0.00 173.10 175.06 3d52 h TRP 165 N -1.18 0.68 -4.86 1.90 2.91 -1.41 -1.24 115.95 112.75 3d52 h TRP 165 Ca -0.48 0.02 -0.47 0.00 1.13 0.00 0.00 58.89 59.09 3d52 h TRP 165 Cb 1.28 -0.23 -0.13 0.00 -0.51 0.00 0.00 29.16 29.57 3d52 h TRP 165 CO 0.44 0.40 -0.49 0.14 -1.03 0.00 0.00 178.44 177.89 3d52 s VAL 166 N -5.62 0.01 -0.51 2.65 -7.23 -1.26 -1.23 120.40 107.20 3d52 s VAL 166 Ca -0.09 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 57.95 3d52 s VAL 166 Cb 0.18 -2.50 0.13 0.00 0.56 0.00 0.00 36.38 34.75 3d52 s VAL 166 CO 0.76 0.00 0.44 -0.32 -0.31 0.00 0.00 175.10 175.66 3d52 s MET 167 N -3.46 2.77 0.58 4.82 -2.45 -1.26 -4.88 119.30 115.43 3d52 s MET 167 Ca 0.41 -1.74 -0.16 0.00 -1.25 0.00 0.00 55.69 52.94 3d52 s MET 167 Cb 0.02 -4.14 -0.04 0.00 1.25 0.00 0.00 34.83 31.92 3d52 s MET 167 CO 0.27 -1.27 1.04 -1.25 1.05 0.00 0.00 175.02 174.87 3d52 s PRO 168 N 1.48 3.43 0.54 4.11 0.04 -1.26 -3.08 135.00 140.26 3d52 s PRO 168 Ca 0.04 1.15 -0.22 0.00 0.04 0.00 0.00 61.00 62.02 3d52 s PRO 168 Cb -0.28 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 3d52 s PRO 168 CO 0.01 -0.71 1.27 -3.47 0.04 0.00 0.00 177.00 174.14 3d52 n ASP 169 N -1.96 2.28 -0.08 6.66 2.03 0.18 -4.62 116.55 121.04 3d52 n ASP 169 Ca 0.08 0.96 0.06 0.00 0.52 0.00 0.00 54.79 56.41 3d52 n ASP 169 Cb 0.53 -1.53 -0.05 0.00 -0.72 0.00 0.00 41.12 39.36 3d52 n ASP 169 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3d52 n GLU 170 N -0.87 2.89 -0.10 -0.67 1.02 -1.26 -4.42 120.64 117.23 3d52 n GLU 170 Ca 0.11 -0.19 -0.22 0.00 -0.02 0.00 0.00 57.16 56.83 3d52 n GLU 170 Cb 0.44 -1.07 -0.12 0.00 -0.02 0.00 0.00 31.44 30.68 3d52 n GLU 170 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d52 n ALA 171 N -0.97 0.82 0.13 0.62 0.00 -1.26 -4.58 120.51 115.27 3d52 n ALA 171 Ca 0.03 -0.53 0.11 0.00 0.00 0.00 0.00 53.44 53.05 3d52 n ALA 171 Cb 0.20 -0.53 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 3d52 n ALA 171 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3d52 n ASN 172 N -4.37 0.35 -4.77 0.00 3.02 -1.26 -4.53 115.26 103.70 3d52 n ASN 172 Ca -0.34 0.02 -0.39 0.00 -0.03 0.00 0.00 54.58 53.84 3d52 n ASN 172 Cb 0.72 1.38 -0.02 0.00 -0.61 0.00 0.00 39.78 41.25 3d52 n ASN 172 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3d52 s SER 173 N -4.62 6.66 0.21 6.41 1.04 -1.26 -4.76 113.70 117.38 3d52 s SER 173 Ca -0.04 2.46 -0.22 0.00 0.48 0.00 0.00 55.95 58.62 3d52 s SER 173 Cb 0.13 -2.63 -0.08 0.00 0.10 0.00 0.00 66.02 63.54 3d52 s SER 173 CO 0.86 -0.59 0.76 -2.28 0.98 0.00 0.00 173.24 172.97 3d52 s HIS 174 N -1.29 3.76 0.53 5.02 2.46 -1.26 -4.25 115.29 120.25 3d52 s HIS 174 Ca 0.53 1.52 0.23 0.00 0.47 0.00 0.00 55.06 57.81 3d52 s HIS 174 Cb -0.34 -2.70 1.36 0.00 -0.13 0.00 0.00 32.58 30.77 3d52 s HIS 174 CO 0.44 0.40 2.04 0.11 -2.47 0.00 0.00 174.74 175.26 3d52 h TRP 175 N 3.77 0.00 -0.29 3.88 5.08 -0.87 0.62 115.95 128.16 3d52 h TRP 175 Ca -0.48 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.43 3d52 h TRP 175 Cb 1.20 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.34 3d52 h TRP 175 CO 0.64 0.00 -0.10 0.00 -1.28 0.00 0.00 178.44 177.70 3d52 h ARG 176 N 0.00 0.47 0.00 0.12 3.08 -1.92 -0.60 114.38 115.54 3d52 h ARG 176 Ca 0.18 -0.13 -0.20 0.00 0.07 0.00 0.00 59.98 59.90 3d52 h ARG 176 Cb 0.71 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 3d52 h ARG 176 CO -0.00 0.58 -1.01 -0.91 -1.07 0.00 0.00 179.97 177.55 3d52 h ASN 177 N 0.44 0.00 -0.20 7.04 2.35 -1.31 -1.06 115.58 122.84 3d52 h ASN 177 Ca 0.09 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3d52 h ASN 177 Cb 0.45 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 3d52 h ASN 177 CO 0.02 0.94 0.10 0.58 -1.65 0.00 0.00 177.43 177.42 3d52 h VAL 178 N 0.00 0.99 -0.68 2.81 2.07 -0.77 -1.03 116.25 119.64 3d52 h VAL 178 Ca -0.04 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 3d52 h VAL 178 Cb 1.75 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 3d52 h VAL 178 CO 0.12 0.04 0.29 0.25 0.02 0.00 0.00 177.57 178.29 3d52 h LEU 179 N 0.21 0.93 0.00 2.57 5.85 -1.10 -1.67 115.31 122.09 3d52 h LEU 179 Ca 0.08 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3d52 h LEU 179 Cb 0.02 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 3d52 h LEU 179 CO -0.06 0.83 -0.22 0.25 -0.34 0.00 0.00 178.44 178.90 3d52 h LEU 180 N 0.96 -0.65 -0.75 2.25 5.85 -0.93 0.50 115.31 122.54 3d52 h LEU 180 Ca 0.23 0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.91 3d52 h LEU 180 Cb 0.18 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3d52 h LEU 180 CO -0.02 -0.29 -0.51 0.06 -0.34 0.00 0.00 178.44 177.34 3d52 h GLN 181 N -0.35 0.29 -0.51 1.25 -0.00 -1.12 0.30 115.11 114.97 3d52 h GLN 181 Ca 0.06 -0.17 -0.04 0.00 -0.00 0.00 0.00 58.65 58.50 3d52 h GLN 181 Cb 0.43 0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 27.90 3d52 h GLN 181 CO -0.20 0.74 0.17 1.25 -0.00 0.00 0.00 178.83 180.79 3d52 h LEU 182 N 0.23 0.74 -0.64 0.06 5.85 -0.91 -0.58 115.31 120.07 3d52 h LEU 182 Ca 0.01 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 3d52 h LEU 182 Cb 0.98 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 3d52 h LEU 182 CO 0.08 0.74 0.12 0.74 -0.34 0.00 0.00 178.44 179.78 3d52 h THR 183 N 0.70 1.26 -0.09 1.05 2.02 -0.55 0.26 112.91 117.55 3d52 h THR 183 Ca 0.17 -0.99 0.01 0.00 0.77 0.00 0.00 66.41 66.36 3d52 h THR 183 Cb 0.26 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3d52 h THR 183 CO -0.01 0.37 0.03 -0.08 0.37 0.00 0.00 175.52 176.20 3d52 h GLU 184 N 0.97 0.07 -0.11 6.66 4.57 -0.74 0.22 114.58 126.21 3d52 h GLU 184 Ca 0.20 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 3d52 h GLU 184 Cb 0.41 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3d52 h GLU 184 CO 0.01 0.05 -0.04 0.78 -1.18 0.00 0.00 179.01 178.63 3d52 h GLY 185 N 0.07 0.24 1.68 1.92 0.00 -1.14 -2.62 103.07 103.23 3d52 h GLY 185 Ca 0.04 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 3d52 h GLY 185 CO -0.04 0.19 -0.24 1.46 0.00 0.00 0.00 176.54 177.91 3d52 h GLN 186 N -0.11 0.38 -0.58 4.80 4.20 -0.20 -0.85 115.11 122.76 3d52 h GLN 186 Ca 0.03 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 3d52 h GLN 186 Cb 0.47 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3d52 h GLN 186 CO 0.01 0.60 0.02 1.15 -0.67 0.00 0.00 178.83 179.94 3d52 h THR 187 N 0.34 1.26 0.11 -0.54 2.02 -0.53 -0.18 112.91 115.38 3d52 h THR 187 Ca 0.05 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 3d52 h THR 187 Cb 0.61 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3d52 h THR 187 CO 0.04 0.40 -0.05 -0.25 0.37 0.00 0.00 175.52 176.03 3d52 h TRP 188 N 0.89 -0.13 -0.72 3.16 7.01 -1.13 -1.71 115.95 123.32 3d52 h TRP 188 Ca 0.17 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.14 3d52 h TRP 188 Cb 0.52 0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.59 3d52 h TRP 188 CO 0.04 -0.07 0.36 -0.07 -2.79 0.00 0.00 178.44 175.90 3d52 h LEU 189 N -0.16 0.92 -0.33 0.65 3.38 -0.91 -0.70 115.31 118.17 3d52 h LEU 189 Ca -0.01 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 3d52 h LEU 189 Cb 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3d52 h LEU 189 CO 0.02 0.77 -0.30 0.50 0.09 0.00 0.00 178.44 179.52 3d52 h LYS 190 N 1.02 0.78 -0.41 1.13 3.64 -0.89 0.17 116.57 122.00 3d52 h LYS 190 Ca 0.25 -0.40 -0.07 0.00 -1.27 0.00 0.00 60.65 59.16 3d52 h LYS 190 Cb 0.09 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3d52 h LYS 190 CO -0.03 1.03 0.00 0.37 -2.27 0.00 0.00 179.45 178.55 3d52 h GLN 191 N 0.55 0.73 0.00 1.90 4.15 -0.96 -2.64 115.11 118.84 3d52 h GLN 191 Ca 0.05 -0.23 -0.26 0.00 0.77 0.00 0.00 58.65 58.98 3d52 h GLN 191 Cb 0.88 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.45 3d52 h GLN 191 CO 0.08 0.81 -2.06 1.19 -1.93 0.00 0.00 178.83 176.92 3d52 n PHE 192 N -4.43 0.00 0.30 3.99 3.72 -0.30 -4.61 117.46 116.13 3d52 n PHE 192 Ca -0.01 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 3d52 n PHE 192 Cb 0.29 -0.74 -0.02 0.00 -0.94 0.00 0.00 39.48 38.07 3d52 n PHE 192 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3d52 n MET 193 N -2.54 3.72 -3.89 -1.08 2.81 0.42 -5.02 117.12 111.56 3d52 n MET 193 Ca -0.23 -0.23 -0.30 0.00 -1.81 0.00 0.00 57.70 55.13 3d52 n MET 193 Cb 0.96 -0.88 0.03 0.00 -0.71 0.00 0.00 33.22 32.62 3d52 n MET 193 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3d52 n ASN 194 N -0.77 -4.91 -4.12 7.83 5.15 -0.28 -4.93 115.26 113.22 3d52 n ASN 194 Ca 0.02 -0.76 -0.17 0.00 -0.60 0.00 0.00 54.58 53.07 3d52 n ASN 194 Cb 0.12 -3.98 -0.12 0.00 -0.53 0.00 0.00 39.78 35.26 3d52 n ASN 194 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3d52 s VAL 195 N -3.31 0.91 -0.24 3.44 -7.23 -1.16 -4.97 120.40 107.84 3d52 s VAL 195 Ca 0.65 -1.13 -0.01 0.00 -1.81 0.00 0.00 61.98 59.68 3d52 s VAL 195 Cb -0.32 -0.89 0.07 0.00 0.56 0.00 0.00 36.38 35.80 3d52 s VAL 195 CO 0.82 -0.22 0.01 -0.89 -0.31 0.00 0.00 175.10 174.52 3d52 s THR 196 N -1.18 1.04 0.50 5.32 2.01 -1.26 -3.27 115.64 118.80 3d52 s THR 196 Ca -0.04 -1.03 -0.23 0.00 0.31 0.00 0.00 61.69 60.71 3d52 s THR 196 Cb -0.09 -1.50 -0.07 0.00 0.01 0.00 0.00 72.50 70.85 3d52 s THR 196 CO 0.01 -0.27 1.22 -2.65 -0.69 0.00 0.00 174.62 172.25 3d52 n PRO 197 N 4.84 1.61 0.00 4.92 -0.02 -1.26 -4.93 135.00 140.16 3d52 n PRO 197 Ca -0.08 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3d52 n PRO 197 Cb 0.45 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3d52 n PRO 197 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3d52 n THR 198 N -0.80 0.29 -5.05 3.45 -2.24 -1.26 -4.75 114.28 103.91 3d52 n THR 198 Ca 0.09 -0.59 -0.30 0.00 -2.27 0.00 0.00 64.05 60.99 3d52 n THR 198 Cb 0.43 0.93 -0.17 0.00 -2.10 0.00 0.00 70.33 69.42 3d52 n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d52 s ALA 199 N -0.29 1.90 0.01 6.98 0.00 -1.26 -0.81 121.76 128.29 3d52 s ALA 199 Ca 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.13 3d52 s ALA 199 Cb 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 3d52 s ALA 199 CO 0.00 0.29 0.05 0.45 0.00 0.00 0.00 175.76 176.55 3d52 s SER 200 N 0.23 5.46 -0.23 0.00 0.15 -0.45 -0.54 113.70 118.32 3d52 s SER 200 Ca -0.12 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.60 3d52 s SER 200 Cb -0.16 -1.51 0.06 0.00 -1.71 0.00 0.00 66.02 62.71 3d52 s SER 200 CO 0.06 0.26 -0.04 0.86 1.20 0.00 0.00 173.24 175.58 3d52 s TRP 201 N -1.18 2.24 -0.52 3.44 -0.11 -1.26 -0.43 118.94 121.12 3d52 s TRP 201 Ca 0.22 -1.66 0.04 0.00 1.22 0.00 0.00 56.10 55.93 3d52 s TRP 201 Cb -0.12 -1.52 0.16 0.00 -1.50 0.00 0.00 33.47 30.49 3d52 s TRP 201 CO 0.14 -0.76 0.37 0.00 -4.62 0.00 0.00 176.95 172.08 3d52 s ALA 202 N 1.45 2.39 -0.58 5.86 0.00 -0.33 -4.85 121.76 125.71 3d52 s ALA 202 Ca -0.05 -2.95 0.24 0.00 0.00 0.00 0.00 51.96 49.20 3d52 s ALA 202 Cb -0.19 -1.86 0.29 0.00 0.00 0.00 0.00 23.12 21.37 3d52 s ALA 202 CO -0.06 -2.04 1.29 -0.84 0.00 0.00 0.00 175.76 174.10 3d52 h ILE 203 N 4.69 0.00 0.00 0.00 3.07 -1.93 -3.16 117.51 120.18 3d52 h ILE 203 Ca 0.16 -0.58 0.00 0.00 1.55 0.00 0.00 64.86 65.99 3d52 h ILE 203 Cb 0.86 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 38.56 3d52 h ILE 203 CO 0.51 0.00 -0.53 -0.67 -1.05 0.00 0.00 178.15 176.41 3d52 n ASP 204 N -2.22 2.64 -4.73 2.16 2.03 -1.26 -4.42 116.55 110.75 3d52 n ASP 204 Ca 0.03 -0.20 -0.37 0.00 0.52 0.00 0.00 54.79 54.77 3d52 n ASP 204 Cb 0.46 0.92 0.07 0.00 -0.72 0.00 0.00 41.12 41.85 3d52 n ASP 204 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3d52 s PRO 205 N -1.45 2.48 -1.19 -0.67 0.02 -1.26 -4.84 135.00 128.08 3d52 s PRO 205 Ca 0.00 2.05 -0.10 0.00 0.02 0.00 0.00 61.00 62.96 3d52 s PRO 205 Cb 0.00 -1.84 0.21 0.00 0.02 0.00 0.00 34.50 32.89 3d52 s PRO 205 CO 0.00 -1.65 1.50 1.19 -0.33 0.00 0.00 177.00 177.71 3d52 n PHE 206 N -2.01 4.09 0.00 6.54 3.72 -1.26 -4.41 117.46 124.12 3d52 n PHE 206 Ca 0.16 -3.20 0.00 0.00 -0.05 0.00 0.00 57.45 54.36 3d52 n PHE 206 Cb 0.48 -1.89 0.00 0.00 -0.94 0.00 0.00 39.48 37.13 3d52 n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d52 n GLY 207 N 3.05 2.33 3.07 1.37 0.00 -1.05 -4.55 105.19 109.41 3d52 n GLY 207 Ca 0.34 -1.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.30 3d52 n GLY 207 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3d52 s HIS 208 N -2.82 0.90 -0.01 1.61 3.76 -1.08 -4.60 115.29 113.05 3d52 s HIS 208 Ca 0.00 -0.31 0.05 0.00 -0.15 0.00 0.00 55.06 54.65 3d52 s HIS 208 Cb 0.00 -0.55 -0.03 0.00 1.11 0.00 0.00 32.58 33.11 3d52 s HIS 208 CO 0.00 -0.01 -0.15 0.45 -0.85 0.00 0.00 174.74 174.18 3d52 s SER 209 N -0.90 3.99 0.00 1.40 0.15 -1.26 -1.19 113.70 115.89 3d52 s SER 209 Ca -0.01 -0.29 0.14 0.00 0.70 0.00 0.00 55.95 56.50 3d52 s SER 209 Cb -0.07 -0.77 0.66 0.00 -1.71 0.00 0.00 66.02 64.13 3d52 s SER 209 CO 0.01 0.30 1.44 -0.81 1.20 0.00 0.00 173.24 175.38 3d52 n PRO 210 N 1.92 0.08 0.10 5.44 -0.04 -1.26 -1.71 135.00 139.52 3d52 n PRO 210 Ca -0.16 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.62 3d52 n PRO 210 Cb 0.52 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 33.08 3d52 n PRO 210 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3d52 h THR 211 N 0.00 0.93 0.55 0.52 2.02 -1.94 -1.93 112.91 113.06 3d52 h THR 211 Ca 0.00 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 3d52 h THR 211 Cb 0.21 0.77 0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3d52 h THR 211 CO 0.00 0.03 -0.26 0.24 0.37 0.00 0.00 175.52 175.89 3d52 h MET 212 N 0.14 -0.71 0.00 6.66 2.86 -1.74 -0.54 114.93 121.60 3d52 h MET 212 Ca 0.13 0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 3d52 h MET 212 Cb 0.35 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 3d52 h MET 212 CO -0.02 -0.41 -0.09 -1.00 1.06 0.00 0.00 176.91 176.45 3d52 h PRO 213 N -0.94 0.00 0.22 -0.22 0.13 -1.73 0.17 132.00 129.64 3d52 h PRO 213 Ca -0.08 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3d52 h PRO 213 Cb 0.63 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 3d52 h PRO 213 CO 0.12 0.09 -0.27 -0.92 -0.23 0.00 0.00 178.00 176.80 3d52 h TYR 214 N 0.00 -0.72 -0.21 1.56 5.03 -1.05 0.15 116.97 121.73 3d52 h TYR 214 Ca -0.00 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 3d52 h TYR 214 Cb 0.17 0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.74 3d52 h TYR 214 CO 0.00 -0.39 -0.04 0.82 -1.32 0.00 0.00 178.16 177.23 3d52 h ILE 215 N -0.54 1.28 -0.25 1.81 2.04 -0.51 -2.95 117.51 118.38 3d52 h ILE 215 Ca 0.00 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.85 3d52 h ILE 215 Cb 0.52 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3d52 h ILE 215 CO -0.09 0.31 0.16 -0.07 0.00 0.00 0.00 178.15 178.46 3d52 h LEU 216 N 0.13 0.30 -1.69 1.44 3.38 -0.49 -2.21 115.31 116.17 3d52 h LEU 216 Ca 0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3d52 h LEU 216 Cb 0.48 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3d52 h LEU 216 CO 0.02 0.24 0.07 -0.61 0.09 0.00 0.00 178.44 178.25 3d52 h GLN 217 N 0.33 0.26 -0.03 1.13 -0.00 -0.73 -0.05 115.11 116.03 3d52 h GLN 217 Ca 0.09 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 3d52 h GLN 217 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.42 3d52 h GLN 217 CO -0.02 0.23 0.00 1.63 0.00 0.00 0.00 178.83 180.67 3d52 n LYS 218 N -4.45 1.33 -0.17 1.69 5.02 -0.95 -3.45 118.16 117.17 3d52 n LYS 218 Ca -0.00 -0.48 0.09 0.00 -2.02 0.00 0.00 58.31 55.90 3d52 n LYS 218 Cb 0.12 -1.45 0.15 0.00 -0.02 0.00 0.00 35.03 33.84 3d52 n LYS 218 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3d52 n SER 219 N -0.39 2.21 0.00 4.39 7.64 -0.14 -1.91 113.62 125.42 3d52 n SER 219 Ca 0.20 -3.23 0.00 0.00 1.01 0.00 0.00 58.87 56.85 3d52 n SER 219 Cb 0.22 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 3d52 n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d52 n GLY 220 N -1.37 0.76 3.77 0.23 0.00 -1.09 -4.88 105.19 102.61 3d52 n GLY 220 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3d52 n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d52 s PHE 221 N -2.36 2.61 -0.01 1.61 0.40 -0.54 -4.82 117.98 114.88 3d52 s PHE 221 Ca 0.00 1.55 0.02 0.00 -0.60 0.00 0.00 56.93 57.90 3d52 s PHE 221 Cb 0.00 -3.23 -0.03 0.00 0.51 0.00 0.00 43.02 40.27 3d52 s PHE 221 CO 0.00 -1.69 0.04 1.63 0.70 0.00 0.00 175.22 175.90 3d52 n LYS 222 N -2.03 0.47 -3.65 0.44 4.76 0.01 -4.57 118.16 113.60 3d52 n LYS 222 Ca 0.11 -0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.40 3d52 n LYS 222 Cb 0.51 -1.02 -0.06 0.00 -1.84 0.00 0.00 35.03 32.63 3d52 n LYS 222 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3d52 s ASN 223 N -2.15 -0.31 0.05 4.39 0.01 -1.02 -3.87 114.94 112.05 3d52 s ASN 223 Ca -0.01 0.04 -0.12 0.00 -0.71 0.00 0.00 52.86 52.06 3d52 s ASN 223 Cb 0.01 0.43 0.01 0.00 0.41 0.00 0.00 41.25 42.12 3d52 s ASN 223 CO 0.08 -0.66 0.25 0.00 -1.51 0.00 0.00 177.10 175.26 3d52 s MET 224 N -2.42 0.79 -0.01 -0.60 0.23 0.06 -1.34 119.30 116.00 3d52 s MET 224 Ca -0.06 -0.63 0.04 0.00 -1.03 0.00 0.00 55.69 54.01 3d52 s MET 224 Cb -0.01 0.33 -0.01 0.00 -1.53 0.00 0.00 34.83 33.62 3d52 s MET 224 CO -0.02 -0.25 -0.15 -1.17 -2.03 0.00 0.00 175.02 171.40 3d52 s LEU 225 N -2.25 2.01 0.17 0.18 0.20 0.43 -0.36 118.68 119.05 3d52 s LEU 225 Ca -0.03 -0.27 0.02 0.00 0.69 0.00 0.00 54.13 54.54 3d52 s LEU 225 Cb 0.00 -0.78 -0.05 0.00 -0.43 0.00 0.00 46.19 44.94 3d52 s LEU 225 CO -0.05 0.18 -0.02 0.27 -0.29 0.00 0.00 176.35 176.44 3d52 s ILE 226 N -0.29 0.75 0.00 6.68 -4.36 -0.17 -1.18 121.20 122.63 3d52 s ILE 226 Ca 0.04 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 3d52 s ILE 226 Cb -0.06 -2.06 0.00 0.00 1.25 0.00 0.00 42.46 41.58 3d52 s ILE 226 CO -0.00 -0.53 0.00 1.67 0.24 0.00 0.00 174.94 176.32 3d52 n GLN 227 N -0.23 0.00 -2.95 0.37 -0.06 -1.19 -1.10 117.38 112.21 3d52 n GLN 227 Ca -0.07 0.00 -0.44 0.00 -2.00 0.00 0.00 57.00 54.49 3d52 n GLN 227 Cb 0.63 -0.18 -0.02 0.00 -4.06 0.00 0.00 30.24 26.61 3d52 n GLN 227 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3d52 s ARG 228 N -1.69 3.76 0.19 3.69 0.52 -1.26 -4.76 118.95 119.40 3d52 s ARG 228 Ca 0.00 -2.07 0.09 0.00 -0.52 0.00 0.00 55.73 53.24 3d52 s ARG 228 Cb 0.00 -4.94 -0.04 0.00 0.52 0.00 0.00 34.95 30.49 3d52 s ARG 228 CO 0.00 -1.74 -0.19 0.95 0.02 0.00 0.00 175.30 174.34 3d52 s THR 229 N 2.18 1.96 0.25 0.02 -4.23 -1.26 -2.53 115.64 112.04 3d52 s THR 229 Ca 0.35 -2.03 -0.31 0.00 -1.18 0.00 0.00 61.69 58.53 3d52 s THR 229 Cb -0.04 -1.96 -0.14 0.00 1.34 0.00 0.00 72.50 71.70 3d52 s THR 229 CO -0.06 -0.33 1.32 1.57 -0.54 0.00 0.00 174.62 176.57 3d52 n HIS 230 N 0.10 1.98 -0.04 3.99 -0.00 -1.26 -4.76 115.22 115.23 3d52 n HIS 230 Ca -0.11 0.51 0.11 0.00 0.46 0.00 0.00 57.72 58.69 3d52 n HIS 230 Cb 0.58 -2.41 0.52 0.00 -0.12 0.00 0.00 29.99 28.55 3d52 n HIS 230 CO 0.00 0.00 0.00 0.10 0.46 0.00 0.00 176.34 176.90 3d52 h TYR 231 N 3.65 0.38 -0.30 1.57 -0.00 -1.82 -0.09 116.97 120.35 3d52 h TYR 231 Ca -0.44 0.01 -0.09 0.00 0.00 0.00 0.00 58.73 58.21 3d52 h TYR 231 Cb 1.29 -0.12 -0.02 0.00 0.00 0.00 0.00 36.73 37.88 3d52 h TYR 231 CO 0.54 0.19 -0.19 0.77 -0.00 0.00 0.00 178.16 179.48 3d52 h SER 232 N 0.36 0.54 -0.23 0.10 0.02 -1.88 -1.85 113.55 110.61 3d52 h SER 232 Ca 0.24 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 3d52 h SER 232 Cb 0.46 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3d52 h SER 232 CO -0.06 0.74 -0.11 0.58 -1.14 0.00 0.00 176.83 176.84 3d52 h VAL 233 N 0.49 1.30 -0.44 2.27 2.07 -1.40 -1.18 116.25 119.36 3d52 h VAL 233 Ca 0.08 -1.17 0.08 0.00 0.82 0.00 0.00 66.70 66.51 3d52 h VAL 233 Cb 0.60 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.88 3d52 h VAL 233 CO 0.04 0.36 0.02 0.11 0.02 0.00 0.00 177.57 178.12 3d52 h LYS 234 N 0.20 0.13 -0.24 1.57 1.57 -1.18 0.12 116.57 118.73 3d52 h LYS 234 Ca 0.05 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3d52 h LYS 234 Cb 0.60 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3d52 h LYS 234 CO 0.03 0.09 0.09 -0.22 -0.57 0.00 0.00 179.45 178.87 3d52 h LYS 235 N 0.13 0.37 -0.04 3.15 3.64 -1.18 0.90 116.57 123.54 3d52 h LYS 235 Ca 0.22 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3d52 h LYS 235 Cb 0.31 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3d52 h LYS 235 CO -0.35 0.42 0.02 1.49 -2.27 0.00 0.00 179.45 178.76 3d52 h GLU 236 N 0.24 0.04 -0.34 1.90 4.57 -0.90 -1.78 114.58 118.31 3d52 h GLU 236 Ca 0.08 -0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.12 3d52 h GLU 236 Cb 0.19 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3d52 h GLU 236 CO -0.01 0.03 -0.35 -0.07 -1.18 0.00 0.00 179.01 177.43 3d52 h LEU 237 N 0.04 0.82 -0.94 1.64 3.38 -0.70 -3.05 115.31 116.51 3d52 h LEU 237 Ca 0.02 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.66 3d52 h LEU 237 Cb 0.00 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3d52 h LEU 237 CO -0.01 1.09 0.61 0.00 0.09 0.00 0.00 178.44 180.22 3d52 h ALA 238 N 0.95 1.22 -0.05 1.53 0.00 -0.57 0.10 119.26 122.45 3d52 h ALA 238 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3d52 h ALA 238 Cb 0.89 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3d52 h ALA 238 CO 0.08 0.52 -0.05 1.96 0.00 0.00 0.00 179.25 181.76 3d52 h GLN 239 N 1.21 0.07 -0.41 0.00 4.20 -1.22 -1.55 115.11 117.41 3d52 h GLN 239 Ca 0.36 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.07 3d52 h GLN 239 Cb -0.05 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3d52 h GLN 239 CO -0.11 0.12 0.00 1.04 -0.67 0.00 0.00 178.83 179.22 3d52 n GLN 240 N -4.44 2.50 -3.91 1.46 1.13 -0.92 -4.96 117.38 108.25 3d52 n GLN 240 Ca -0.02 -2.30 -0.25 0.00 -1.94 0.00 0.00 57.00 52.48 3d52 n GLN 240 Cb 0.15 -1.51 -0.01 0.00 0.11 0.00 0.00 30.24 28.99 3d52 n GLN 240 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3d52 n ARG 241 N 1.48 -3.82 -0.61 -1.09 1.74 -0.58 -4.88 116.66 108.89 3d52 n ARG 241 Ca 0.19 0.47 0.02 0.00 -0.77 0.00 0.00 57.85 57.76 3d52 n ARG 241 Cb 0.60 -4.78 0.20 0.00 -1.02 0.00 0.00 32.46 27.46 3d52 n ARG 241 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3d52 n GLN 242 N -4.38 1.90 0.17 5.56 6.02 0.28 -4.61 117.38 122.31 3d52 n GLN 242 Ca -0.26 -3.07 0.13 0.00 -0.01 0.00 0.00 57.00 53.78 3d52 n GLN 242 Cb 0.66 -1.74 0.35 0.00 1.02 0.00 0.00 30.24 30.53 3d52 n GLN 242 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3d52 h LEU 243 N 1.01 0.00 -8.44 1.08 3.38 -1.81 -3.41 115.31 107.11 3d52 h LEU 243 Ca 0.11 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.42 3d52 h LEU 243 Cb 1.40 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.86 3d52 h LEU 243 CO 0.23 0.00 -0.80 -1.61 0.09 0.00 0.00 178.44 176.36 3d52 s GLU 244 N -3.22 3.26 0.17 1.13 2.02 -1.26 -0.13 118.70 120.67 3d52 s GLU 244 Ca 0.08 -0.74 -0.13 0.00 0.02 0.00 0.00 54.97 54.20 3d52 s GLU 244 Cb 0.09 -2.62 0.01 0.00 0.10 0.00 0.00 34.13 31.71 3d52 s GLU 244 CO 0.60 0.08 0.37 -0.59 0.02 0.00 0.00 175.26 175.74 3d52 s PHE 245 N 0.67 0.14 -0.47 1.61 -0.12 -0.41 -4.26 117.98 115.13 3d52 s PHE 245 Ca -0.08 -0.50 -0.17 0.00 -0.05 0.00 0.00 56.93 56.14 3d52 s PHE 245 Cb -0.16 0.13 0.05 0.00 -0.63 0.00 0.00 43.02 42.42 3d52 s PHE 245 CO 0.02 -0.78 0.49 -0.51 -0.05 0.00 0.00 175.22 174.40 3d52 s LEU 246 N -2.91 5.19 -0.43 -1.99 1.43 0.01 -0.31 118.68 119.67 3d52 s LEU 246 Ca 0.12 -1.01 -0.21 0.00 -1.03 0.00 0.00 54.13 52.00 3d52 s LEU 246 Cb 0.02 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 43.93 3d52 s LEU 246 CO -0.03 -0.72 0.65 0.86 0.23 0.00 0.00 176.35 177.34 3d52 s TRP 247 N 2.14 3.06 0.28 0.29 -0.11 -0.22 -1.33 118.94 123.05 3d52 s TRP 247 Ca 0.10 -0.02 0.07 0.00 1.22 0.00 0.00 56.10 57.48 3d52 s TRP 247 Cb -0.21 -3.36 -0.03 0.00 -1.50 0.00 0.00 33.47 28.37 3d52 s TRP 247 CO 0.10 -0.87 0.20 -0.98 -4.62 0.00 0.00 176.95 170.79 3d52 s ARG 248 N 2.85 2.78 0.65 5.86 1.70 -0.16 -1.31 118.95 131.33 3d52 s ARG 248 Ca 0.23 -1.18 -0.16 0.00 -0.47 0.00 0.00 55.73 54.15 3d52 s ARG 248 Cb -0.14 -2.48 -0.00 0.00 -0.57 0.00 0.00 34.95 31.76 3d52 s ARG 248 CO 0.19 0.30 1.16 -0.65 -1.08 0.00 0.00 175.30 175.22 3d52 s GLN 249 N -3.87 2.71 0.62 3.89 -1.52 -1.26 -4.36 119.66 115.87 3d52 s GLN 249 Ca 0.35 1.62 0.37 0.00 -1.95 0.00 0.00 55.36 55.75 3d52 s GLN 249 Cb -0.07 -1.92 2.06 0.00 -0.22 0.00 0.00 33.01 32.87 3d52 s GLN 249 CO 0.25 -1.36 2.28 -0.84 -0.25 0.00 0.00 175.29 175.37 3d52 h ILE 250 N 0.26 0.23 -0.12 1.08 3.07 -1.94 -1.62 117.51 118.47 3d52 h ILE 250 Ca -0.48 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 65.83 3d52 h ILE 250 Cb 1.27 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.90 3d52 h ILE 250 CO 0.53 0.01 0.00 -2.67 -1.05 0.00 0.00 178.15 174.98 3d52 n TRP 251 N -3.38 0.13 -2.83 0.16 2.14 -1.26 -4.64 117.44 107.75 3d52 n TRP 251 Ca -0.03 -0.08 -0.43 0.00 2.07 0.00 0.00 57.50 59.04 3d52 n TRP 251 Cb 0.11 -0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.57 3d52 n TRP 251 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 3d52 s ASP 252 N -1.62 6.30 0.17 -0.67 2.15 -0.61 -4.69 116.67 117.70 3d52 s ASP 252 Ca 0.27 -0.48 0.05 0.00 0.43 0.00 0.00 52.55 52.82 3d52 s ASP 252 Cb 0.18 -2.44 0.01 0.00 -0.30 0.00 0.00 42.92 40.37 3d52 s ASP 252 CO 0.26 -1.29 1.39 -1.13 -0.17 0.00 0.00 175.17 174.24 3d52 h ASN 253 N 9.38 0.15 0.30 -0.34 -1.24 -1.88 -3.35 115.58 118.60 3d52 h ASN 253 Ca -0.27 -0.12 -0.33 0.00 0.71 0.00 0.00 56.30 56.29 3d52 h ASN 253 Cb 1.07 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 40.06 3d52 h ASN 253 CO 1.11 0.94 -1.79 0.50 -1.29 0.00 0.00 177.43 176.91 3d52 h LYS 254 N 0.06 0.22 0.00 6.67 3.64 -1.99 -3.44 116.57 121.74 3d52 h LYS 254 Ca -0.03 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3d52 h LYS 254 Cb 1.50 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 3d52 h LYS 254 CO 0.12 1.05 0.00 0.41 -2.27 0.00 0.00 179.45 178.76 3d52 n GLY 255 N 1.80 1.05 0.31 5.01 0.00 -1.26 -4.98 105.19 107.12 3d52 n GLY 255 Ca -0.24 0.00 0.20 0.00 0.00 0.00 0.00 46.02 45.98 3d52 n GLY 255 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3d52 h ASP 256 N 0.00 0.00 0.07 1.61 3.32 -1.94 -1.47 116.42 118.01 3d52 h ASP 256 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3d52 h ASP 256 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3d52 h ASP 256 CO 0.00 0.01 -0.10 0.35 -1.72 0.00 0.00 179.24 177.77 3d52 n THR 257 N -3.11 0.00 -1.93 0.35 -2.24 -1.26 -4.97 114.28 101.11 3d52 n THR 257 Ca -0.01 -0.23 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 3d52 n THR 257 Cb 0.18 0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 68.96 3d52 n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d52 s ALA 258 N -2.19 3.59 -0.07 6.98 0.00 -0.56 -4.64 121.76 124.88 3d52 s ALA 258 Ca 0.32 1.44 0.02 0.00 0.00 0.00 0.00 51.96 53.74 3d52 s ALA 258 Cb 0.20 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.77 3d52 s ALA 258 CO 0.40 -0.87 -0.12 -1.17 0.00 0.00 0.00 175.76 174.00 3d52 s LEU 259 N -1.47 1.62 0.13 0.00 2.96 -0.43 -4.87 118.68 116.62 3d52 s LEU 259 Ca 0.54 -0.30 -0.31 0.00 -0.22 0.00 0.00 54.13 53.84 3d52 s LEU 259 Cb -0.44 -0.83 -0.10 0.00 0.50 0.00 0.00 46.19 45.32 3d52 s LEU 259 CO 0.54 0.03 1.68 0.12 -1.32 0.00 0.00 176.35 177.40 3d52 s PHE 260 N 0.72 2.60 -0.05 5.38 5.36 -1.25 -1.06 117.98 129.67 3d52 s PHE 260 Ca -0.14 0.32 0.03 0.00 -0.96 0.00 0.00 56.93 56.19 3d52 s PHE 260 Cb -0.16 -4.03 0.01 0.00 -0.34 0.00 0.00 43.02 38.50 3d52 s PHE 260 CO 0.03 -4.05 -0.14 0.99 -1.46 0.00 0.00 175.22 170.58 3d52 s THR 261 N 2.04 1.26 -0.22 0.12 2.01 0.58 -0.76 115.64 120.67 3d52 s THR 261 Ca 0.75 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 62.11 3d52 s THR 261 Cb -0.44 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 3d52 s THR 261 CO 0.33 0.38 0.00 -2.28 -0.69 0.00 0.00 174.62 172.36 3d52 s HIS 262 N 0.36 3.01 -0.22 4.92 2.46 0.51 -1.29 115.29 125.04 3d52 s HIS 262 Ca -0.10 -0.66 -0.11 0.00 0.47 0.00 0.00 55.06 54.67 3d52 s HIS 262 Cb -0.13 -2.14 -0.05 0.00 -0.13 0.00 0.00 32.58 30.13 3d52 s HIS 262 CO 0.03 -0.41 0.18 1.41 -2.47 0.00 0.00 174.74 173.48 3d52 s MET 263 N 1.38 4.13 0.49 2.88 1.75 0.82 -1.00 119.30 129.74 3d52 s MET 263 Ca 0.05 -0.19 -0.21 0.00 -1.25 0.00 0.00 55.69 54.08 3d52 s MET 263 Cb -0.15 -3.50 -0.07 0.00 2.84 0.00 0.00 34.83 33.96 3d52 s MET 263 CO 0.00 0.14 1.11 -1.64 -0.65 0.00 0.00 175.02 173.97 3d52 s MET 264 N 0.83 3.69 0.01 4.11 1.00 -0.26 -4.77 119.30 123.90 3d52 s MET 264 Ca 0.09 1.58 0.24 0.00 0.00 0.00 0.00 55.69 57.60 3d52 s MET 264 Cb -0.13 -2.21 0.22 0.00 0.00 0.00 0.00 34.83 32.71 3d52 s MET 264 CO 0.03 -0.56 1.21 -0.35 0.00 0.00 0.00 175.02 175.34 3d52 n PRO 265 N -0.82 0.05 -3.81 2.03 -0.04 -1.26 -4.85 135.00 126.30 3d52 n PRO 265 Ca 0.09 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.31 3d52 n PRO 265 Cb 0.50 -1.52 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 3d52 n PRO 265 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3d52 n PHE 266 N -1.58 0.00 0.18 0.54 3.72 -1.26 -4.83 117.46 114.23 3d52 n PHE 266 Ca 0.05 -2.04 0.02 0.00 -0.05 0.00 0.00 57.45 55.43 3d52 n PHE 266 Cb 0.35 -0.34 0.32 0.00 -0.94 0.00 0.00 39.48 38.87 3d52 n PHE 266 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3d52 h TYR 267 N 0.89 0.00 -4.29 1.38 3.20 -1.95 -3.46 116.97 112.74 3d52 h TYR 267 Ca -0.32 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.34 3d52 h TYR 267 Cb 1.08 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 39.23 3d52 h TYR 267 CO 0.00 0.43 -0.41 0.45 -1.64 0.00 0.00 178.16 176.98 3d52 s SER 268 N -6.88 0.30 0.00 -2.11 0.15 -1.26 -5.03 113.70 98.87 3d52 s SER 268 Ca -0.02 -1.30 0.22 0.00 0.70 0.00 0.00 55.95 55.55 3d52 s SER 268 Cb 0.14 0.49 0.61 0.00 -1.71 0.00 0.00 66.02 65.55 3d52 s SER 268 CO 0.73 -1.00 1.49 0.00 1.20 0.00 0.00 173.24 175.66 3d52 n TYR 269 N -0.37 0.29 -1.79 3.44 0.18 -1.26 -4.47 117.16 113.19 3d52 n TYR 269 Ca 0.01 -0.15 -0.29 0.00 1.88 0.00 0.00 57.90 59.36 3d52 n TYR 269 Cb 0.64 0.00 0.10 0.00 -0.38 0.00 0.00 39.34 39.70 3d52 n TYR 269 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 3d52 s ASP 270 N -1.57 4.22 0.17 9.48 -4.77 -1.26 -4.58 116.67 118.36 3d52 s ASP 270 Ca 0.34 0.85 -0.12 0.00 -3.30 0.00 0.00 52.55 50.32 3d52 s ASP 270 Cb 0.19 -1.37 0.07 0.00 -1.09 0.00 0.00 42.92 40.72 3d52 s ASP 270 CO 0.28 -2.09 1.73 0.40 0.70 0.00 0.00 175.17 176.19 3d52 h ILE 271 N -1.18 1.23 -0.09 2.11 2.04 -1.88 -1.73 117.51 118.00 3d52 h ILE 271 Ca -0.47 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 64.70 3d52 h ILE 271 Cb 1.33 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3d52 h ILE 271 CO 0.65 0.28 0.19 -0.65 0.00 0.00 0.00 178.15 178.61 3d52 h PRO 272 N 0.82 0.00 -0.18 2.37 0.11 -1.87 -2.17 132.00 131.08 3d52 h PRO 272 Ca 0.20 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 3d52 h PRO 272 Cb 0.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 3d52 h PRO 272 CO -0.02 0.00 -0.00 0.72 -0.21 0.00 0.00 178.00 178.49 3d52 n HIS 273 N -3.37 0.65 0.00 0.65 8.25 -0.69 -3.86 115.22 116.85 3d52 n HIS 273 Ca -0.00 -0.92 0.00 0.00 -0.26 0.00 0.00 57.72 56.54 3d52 n HIS 273 Cb 0.28 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.13 3d52 n HIS 273 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3d52 n THR 274 N -0.81 0.00 0.22 1.59 -2.24 -0.82 -4.55 114.28 107.66 3d52 n THR 274 Ca 0.20 -0.06 0.12 0.00 -2.27 0.00 0.00 64.05 62.03 3d52 n THR 274 Cb 0.81 0.49 0.18 0.00 -2.10 0.00 0.00 70.33 69.71 3d52 n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d52 n GLY 276 N 1.07 -2.50 0.18 0.00 0.00 -1.26 -3.52 105.19 99.16 3d52 n GLY 276 Ca 0.04 -1.28 0.14 0.00 0.00 0.00 0.00 46.02 44.91 3d52 n GLY 276 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d52 h PRO 277 N 0.00 0.00 -4.37 1.61 0.13 -1.92 -3.42 132.00 124.03 3d52 h PRO 277 Ca 0.00 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.41 3d52 h PRO 277 Cb 0.00 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 30.83 3d52 h PRO 277 CO 0.00 0.00 -0.43 0.34 -0.23 0.00 0.00 178.00 177.68 3d52 s ASP 278 N -5.01 5.63 0.49 1.44 -1.08 -1.26 -3.14 116.67 113.73 3d52 s ASP 278 Ca 0.05 -1.80 0.24 0.00 -0.52 0.00 0.00 52.55 50.53 3d52 s ASP 278 Cb 0.09 -1.98 1.28 0.00 -1.46 0.00 0.00 42.92 40.85 3d52 s ASP 278 CO 0.53 -0.63 2.02 1.55 0.52 0.00 0.00 175.17 179.16 3d52 h PRO 279 N 8.39 0.00 -0.11 4.34 0.13 -1.79 -0.89 132.00 142.08 3d52 h PRO 279 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3d52 h PRO 279 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3d52 h PRO 279 CO 0.81 0.16 0.07 -0.22 -0.23 0.00 0.00 178.00 178.59 3d52 h LYS 280 N 0.00 0.14 0.06 0.86 3.64 -1.93 0.74 116.57 120.07 3d52 h LYS 280 Ca -0.00 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 3d52 h LYS 280 Cb 0.41 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3d52 h LYS 280 CO 0.02 0.09 -0.84 0.28 -2.27 0.00 0.00 179.45 176.73 3d52 h VAL 281 N 0.14 1.33 -0.47 2.00 2.07 -1.65 -3.36 116.25 116.30 3d52 h VAL 281 Ca 0.04 -2.36 -0.04 0.00 0.82 0.00 0.00 66.70 65.17 3d52 h VAL 281 Cb -0.01 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 3d52 h VAL 281 CO -0.01 0.59 0.14 0.00 0.02 0.00 0.00 177.57 178.31 3d52 n GLN 284 N -4.49 0.05 -0.28 0.00 6.02 -0.37 -2.02 117.38 116.29 3d52 n GLN 284 Ca 0.01 0.26 0.07 0.00 -0.01 0.00 0.00 57.00 57.32 3d52 n GLN 284 Cb 0.23 -1.50 0.19 0.00 1.02 0.00 0.00 30.24 30.18 3d52 n GLN 284 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3d52 n PHE 285 N -1.44 0.61 -3.45 1.08 3.72 0.02 -4.21 117.46 113.79 3d52 n PHE 285 Ca 0.04 -0.72 -0.43 0.00 -0.05 0.00 0.00 57.45 56.28 3d52 n PHE 285 Cb 0.13 -0.18 -0.06 0.00 -0.94 0.00 0.00 39.48 38.43 3d52 n PHE 285 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3d52 s ASP 286 N -1.61 5.98 0.00 4.37 -1.08 -0.85 -4.94 116.67 118.53 3d52 s ASP 286 Ca 0.31 -2.05 0.24 0.00 -0.52 0.00 0.00 52.55 50.53 3d52 s ASP 286 Cb 0.23 -2.09 1.41 0.00 -1.46 0.00 0.00 42.92 41.00 3d52 s ASP 286 CO 0.10 -0.71 1.82 0.49 0.52 0.00 0.00 175.17 177.39 3d52 n PHE 287 N 4.79 0.00 1.55 -5.34 3.72 -1.26 -1.91 117.46 119.01 3d52 n PHE 287 Ca -0.06 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.49 3d52 n PHE 287 Cb 0.41 0.00 0.76 0.00 -0.94 0.00 0.00 39.48 39.71 3d52 n PHE 287 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3d52 n LYS 288 N -0.93 0.65 -0.75 -1.08 4.81 -1.26 -4.15 118.16 115.44 3d52 n LYS 288 Ca 0.18 -0.08 0.04 0.00 -0.87 0.00 0.00 58.31 57.57 3d52 n LYS 288 Cb 0.08 -1.50 0.31 0.00 0.02 0.00 0.00 35.03 33.94 3d52 n LYS 288 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3d52 n ARG 289 N -1.10 3.63 0.02 1.64 1.74 -0.80 -4.46 116.66 117.32 3d52 n ARG 289 Ca 0.17 -3.03 0.12 0.00 -0.77 0.00 0.00 57.85 54.34 3d52 n ARG 289 Cb 0.23 -2.06 0.29 0.00 -1.02 0.00 0.00 32.46 29.89 3d52 n ARG 289 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3d52 n MET 290 N -0.14 0.11 0.00 5.56 2.81 -1.26 -4.32 117.12 119.88 3d52 n MET 290 Ca 0.29 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 3d52 n MET 290 Cb 1.12 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 32.06 3d52 n MET 290 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d52 n GLY 291 N 1.44 4.59 0.00 3.03 0.00 -1.25 -4.99 105.19 108.02 3d52 n GLY 291 Ca 0.05 -0.81 0.07 0.00 0.00 0.00 0.00 46.02 45.34 3d52 n GLY 291 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d52 n SER 292 N 0.00 0.00 -0.90 1.61 3.41 -1.26 -2.00 113.62 114.48 3d52 n SER 292 Ca 0.00 0.48 0.07 0.00 -0.26 0.00 0.00 58.87 59.16 3d52 n SER 292 Cb 0.00 -0.49 0.22 0.00 -0.26 0.00 0.00 64.21 63.68 3d52 n SER 292 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3d52 n PHE 293 N -1.49 0.78 -1.00 7.33 3.72 -1.26 -4.96 117.46 120.59 3d52 n PHE 293 Ca 0.04 -0.61 0.00 0.00 -0.05 0.00 0.00 57.45 56.83 3d52 n PHE 293 Cb 0.18 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 3d52 n PHE 293 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d52 n GLY 294 N 0.43 0.23 3.67 1.37 0.00 -0.85 -4.99 105.19 105.06 3d52 n GLY 294 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3d52 n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d52 s LEU 295 N 0.00 3.32 0.00 0.99 1.43 -1.26 -5.07 118.68 118.09 3d52 s LEU 295 Ca 0.00 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 3d52 s LEU 295 Cb 0.00 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.28 3d52 s LEU 295 CO 0.00 0.07 0.42 -1.54 0.23 0.00 0.00 176.35 175.53 3d52 n SER 296 N -0.28 -1.16 -4.47 2.29 3.41 -1.26 -3.81 113.62 108.35 3d52 n SER 296 Ca -0.09 -2.54 -0.37 0.00 -0.26 0.00 0.00 58.87 55.61 3d52 n SER 296 Cb 0.56 2.15 -0.12 0.00 -0.26 0.00 0.00 64.21 66.54 3d52 n SER 296 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d52 n PRO 298 N 4.95 0.04 -0.02 0.00 -0.04 -1.26 -1.37 135.00 137.31 3d52 n PRO 298 Ca -0.15 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 63.72 3d52 n PRO 298 Cb 0.51 -1.58 0.58 0.00 -0.04 0.00 0.00 33.50 32.97 3d52 n PRO 298 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3d52 n TRP 299 N -1.66 0.06 -0.63 0.54 8.01 -1.26 -4.94 117.44 117.56 3d52 n TRP 299 Ca 0.03 -0.03 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 3d52 n TRP 299 Cb 0.18 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.48 3d52 n TRP 299 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3d52 n LYS 300 N -0.21 0.00 -3.88 -0.99 5.02 -0.47 -4.99 118.16 112.65 3d52 n LYS 300 Ca 0.18 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.12 3d52 n LYS 300 Cb 0.24 -1.69 -0.14 0.00 -0.02 0.00 0.00 35.03 33.43 3d52 n LYS 300 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3d52 s VAL 301 N -3.34 3.18 0.68 -0.18 1.01 -1.26 -5.04 120.40 115.45 3d52 s VAL 301 Ca 0.00 -1.21 -0.11 0.00 0.00 0.00 0.00 61.98 60.66 3d52 s VAL 301 Cb 0.00 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.62 3d52 s VAL 301 CO 0.00 -0.04 1.05 -2.16 0.00 0.00 0.00 175.10 173.95 3d52 s PRO 302 N 1.31 3.08 0.60 2.72 0.04 -1.26 -4.48 135.00 137.01 3d52 s PRO 302 Ca -0.03 0.86 -0.18 0.00 0.04 0.00 0.00 61.00 61.69 3d52 s PRO 302 Cb -0.19 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 3d52 s PRO 302 CO -0.01 -0.97 1.19 -2.14 0.04 0.00 0.00 177.00 175.11 3d52 s PRO 303 N -5.10 2.93 -0.03 0.56 0.02 -1.26 -4.79 135.00 127.33 3d52 s PRO 303 Ca 0.57 1.76 0.07 0.00 0.02 0.00 0.00 61.00 63.42 3d52 s PRO 303 Cb -0.13 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 3d52 s PRO 303 CO 0.55 -1.22 -0.23 1.03 -0.33 0.00 0.00 177.00 176.79 3d52 s ARG 304 N -3.44 2.30 0.21 5.54 0.52 -1.26 -4.80 118.95 118.02 3d52 s ARG 304 Ca 0.76 -0.87 -0.32 0.00 -0.52 0.00 0.00 55.73 54.78 3d52 s ARG 304 Cb -0.29 -2.15 -0.15 0.00 0.52 0.00 0.00 34.95 32.89 3d52 s ARG 304 CO 0.34 0.54 1.22 2.41 0.02 0.00 0.00 175.30 179.83 3d52 n THR 305 N 2.52 1.05 -2.65 0.02 -1.04 -1.26 -4.93 114.28 107.99 3d52 n THR 305 Ca -0.17 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.05 61.16 3d52 n THR 305 Cb 0.51 -1.06 -0.03 0.00 -1.82 0.00 0.00 70.33 67.94 3d52 n THR 305 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3d52 s ILE 306 N -0.26 4.70 0.31 12.58 -1.09 -1.26 -4.95 121.20 131.23 3d52 s ILE 306 Ca 0.70 1.95 0.04 0.00 -2.23 0.00 0.00 60.65 61.10 3d52 s ILE 306 Cb -0.77 -4.25 -0.02 0.00 -1.58 0.00 0.00 42.46 35.84 3d52 s ILE 306 CO 0.52 0.11 0.30 -0.94 -1.23 0.00 0.00 174.94 173.71 3d52 s SER 307 N 1.07 1.26 0.53 3.58 1.04 -1.26 -4.97 113.70 114.94 3d52 s SER 307 Ca 0.52 -1.63 0.23 0.00 0.48 0.00 0.00 55.95 55.55 3d52 s SER 307 Cb -0.22 0.55 1.45 0.00 0.10 0.00 0.00 66.02 67.90 3d52 s SER 307 CO 0.26 -1.08 2.13 0.44 0.98 0.00 0.00 173.24 175.97 3d52 h ASP 308 N 2.20 0.00 1.26 7.02 3.32 -2.00 0.10 116.42 128.33 3d52 h ASP 308 Ca -0.27 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 3d52 h ASP 308 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 3d52 h ASP 308 CO 0.39 0.07 -0.00 1.56 -1.72 0.00 0.00 179.24 179.54 3d52 h GLN 309 N 0.00 0.00 0.00 3.56 4.20 -1.98 -3.33 115.11 117.55 3d52 h GLN 309 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3d52 h GLN 309 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3d52 h GLN 309 CO 0.01 0.00 0.00 0.27 -0.67 0.00 0.00 178.83 178.44 3d52 n ASN 310 N -3.10 0.37 -0.33 1.46 0.23 -0.88 -4.89 115.26 108.13 3d52 n ASN 310 Ca 0.01 -1.07 -0.02 0.00 -0.53 0.00 0.00 54.58 52.98 3d52 n ASN 310 Cb 0.36 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.20 3d52 n ASN 310 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3d52 h VAL 311 N 1.00 1.24 -0.36 3.53 3.04 -0.93 -0.42 116.25 123.35 3d52 h VAL 311 Ca 0.00 -0.46 -0.03 0.00 -1.01 0.00 0.00 66.70 65.20 3d52 h VAL 311 Cb 0.46 -0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 29.60 3d52 h VAL 311 CO 0.00 0.24 0.09 0.00 -1.01 0.00 0.00 177.57 176.89 3d52 h ALA 312 N 1.40 0.47 -0.32 3.17 0.00 -1.85 0.47 119.26 122.60 3d52 h ALA 312 Ca 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3d52 h ALA 312 Cb -0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3d52 h ALA 312 CO -0.07 0.14 0.13 0.00 0.00 0.00 0.00 179.25 179.45 3d52 h ALA 313 N 0.93 0.41 -0.68 0.00 0.00 -1.79 -0.75 119.26 117.38 3d52 h ALA 313 Ca 0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3d52 h ALA 313 Cb 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3d52 h ALA 313 CO 0.00 -0.00 0.14 0.00 0.00 0.00 0.00 179.25 179.38 3d52 h ARG 314 N 0.37 1.12 -0.63 0.00 2.47 -0.96 -2.14 114.38 114.60 3d52 h ARG 314 Ca 0.11 -0.29 -0.03 0.00 -1.26 0.00 0.00 59.98 58.51 3d52 h ARG 314 Cb 0.16 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 3d52 h ARG 314 CO -0.01 1.01 0.29 0.77 0.56 0.00 0.00 179.97 182.58 3d52 h SER 315 N 1.05 0.84 -0.59 7.04 0.02 -0.74 -0.80 113.55 120.36 3d52 h SER 315 Ca 0.21 -0.14 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3d52 h SER 315 Cb 0.41 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 3d52 h SER 315 CO 0.01 0.75 0.36 -0.78 -1.14 0.00 0.00 176.83 176.03 3d52 h ASP 316 N 0.87 0.59 -0.10 3.07 3.58 -0.72 0.13 116.42 123.83 3d52 h ASP 316 Ca 0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 3d52 h ASP 316 Cb 0.14 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 3d52 h ASP 316 CO -0.02 0.41 0.07 -0.07 -2.88 0.00 0.00 179.24 176.75 3d52 h LEU 317 N 0.71 0.12 -0.17 2.28 3.38 -1.09 -2.11 115.31 118.43 3d52 h LEU 317 Ca 0.24 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 3d52 h LEU 317 Cb 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3d52 h LEU 317 CO -0.10 0.09 -0.47 0.25 0.09 0.00 0.00 178.44 178.30 3d52 h LEU 318 N 0.14 0.72 -1.10 1.67 5.85 -0.82 -2.70 115.31 119.07 3d52 h LEU 318 Ca 0.04 -0.58 0.02 0.00 0.84 0.00 0.00 57.88 58.19 3d52 h LEU 318 Cb -0.02 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 3d52 h LEU 318 CO -0.01 1.17 0.61 0.58 -0.34 0.00 0.00 178.44 180.45 3d52 h VAL 319 N 0.30 1.22 -0.89 1.05 2.07 -0.76 -0.86 116.25 118.38 3d52 h VAL 319 Ca -0.01 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3d52 h VAL 319 Cb 1.09 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3d52 h VAL 319 CO 0.10 0.22 0.46 -0.78 0.02 0.00 0.00 177.57 177.60 3d52 h ASP 320 N 1.23 1.13 -0.37 0.57 3.58 -1.31 0.27 116.42 121.52 3d52 h ASP 320 Ca 0.35 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 3d52 h ASP 320 Cb -0.10 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 40.64 3d52 h ASP 320 CO -0.08 0.92 0.22 1.56 -2.88 0.00 0.00 179.24 178.98 3d52 h GLN 321 N 1.25 0.50 -0.59 0.28 1.08 -0.98 -1.70 115.11 114.95 3d52 h GLN 321 Ca 0.31 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.44 3d52 h GLN 321 Cb 0.06 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 3d52 h GLN 321 CO -0.05 0.38 0.28 -1.49 -0.95 0.00 0.00 178.83 177.00 3d52 h TRP 322 N 0.49 0.85 -0.38 2.96 6.55 -0.72 -0.12 115.95 125.58 3d52 h TRP 322 Ca 0.13 -0.04 -0.05 0.00 0.95 0.00 0.00 58.89 59.89 3d52 h TRP 322 Cb 0.00 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.02 3d52 h TRP 322 CO -0.04 0.65 0.04 0.87 -1.05 0.00 0.00 178.44 178.91 3d52 h LYS 323 N 0.80 0.58 -0.20 0.49 1.57 -0.31 0.12 116.57 119.62 3d52 h LYS 323 Ca 0.20 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3d52 h LYS 323 Cb 0.12 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3d52 h LYS 323 CO -0.03 0.58 0.03 0.87 -0.57 0.00 0.00 179.45 180.33 3d52 h LYS 324 N 0.56 0.33 -0.69 3.15 1.57 -0.93 -2.64 116.57 117.92 3d52 h LYS 324 Ca 0.12 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3d52 h LYS 324 Cb 0.30 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3d52 h LYS 324 CO 0.01 0.48 0.45 -0.22 -0.57 0.00 0.00 179.45 179.59 3d52 h LYS 325 N 0.13 0.91 0.00 3.15 3.64 -0.45 -1.95 116.57 122.00 3d52 h LYS 325 Ca 0.06 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3d52 h LYS 325 Cb 0.31 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3d52 h LYS 325 CO 0.00 0.61 -0.20 0.00 -2.27 0.00 0.00 179.45 177.59 3d52 h ALA 326 N 1.56 1.35 0.00 5.00 0.00 -0.59 -1.40 119.26 125.17 3d52 h ALA 326 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3d52 h ALA 326 Cb -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3d52 h ALA 326 CO -0.05 0.25 0.00 0.93 0.00 0.00 0.00 179.25 180.38 3d52 h GLU 327 N 0.00 0.00 -0.01 0.00 4.39 -0.99 -2.25 114.58 115.72 3d52 h GLU 327 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3d52 h GLU 327 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3d52 h GLU 327 CO 0.03 0.00 -0.12 1.28 -1.16 0.00 0.00 179.01 179.03 3d52 n LEU 328 N -2.92 0.90 -4.39 1.33 4.77 -0.53 -4.90 117.00 111.26 3d52 n LEU 328 Ca -0.02 -0.22 -0.20 0.00 -0.03 0.00 0.00 56.01 55.54 3d52 n LEU 328 Cb 0.08 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 3d52 n LEU 328 CO 0.19 0.16 -0.37 -0.31 -1.33 0.00 0.00 177.39 175.73 3d52 s TYR 329 N -2.32 1.79 -0.34 -1.77 2.02 -0.85 -4.37 117.35 111.52 3d52 s TYR 329 Ca 0.31 -0.74 0.22 0.00 -0.37 0.00 0.00 57.07 56.50 3d52 s TYR 329 Cb 0.20 -1.00 -0.15 0.00 -0.40 0.00 0.00 41.96 40.62 3d52 s TYR 329 CO 0.44 0.21 0.80 0.54 -1.57 0.00 0.00 175.55 175.97 3d52 n ARG 330 N -0.50 0.47 -3.46 -0.62 1.74 -1.26 -4.96 116.66 108.07 3d52 n ARG 330 Ca -0.06 -0.06 -0.22 0.00 -0.77 0.00 0.00 57.85 56.74 3d52 n ARG 330 Cb 0.63 -1.60 0.01 0.00 -1.02 0.00 0.00 32.46 30.48 3d52 n ARG 330 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3d52 s THR 331 N -3.34 2.22 -0.42 0.55 -4.23 -1.26 -4.66 115.64 104.50 3d52 s THR 331 Ca -0.01 -1.26 0.05 0.00 -1.18 0.00 0.00 61.69 59.28 3d52 s THR 331 Cb 0.13 -2.48 0.41 0.00 1.34 0.00 0.00 72.50 71.90 3d52 s THR 331 CO 0.85 0.00 1.33 -0.46 -0.54 0.00 0.00 174.62 175.80 3d52 n ASN 332 N -1.84 3.50 -4.21 3.99 6.94 -1.26 -4.83 115.26 117.55 3d52 n ASN 332 Ca 0.06 -2.68 -0.32 0.00 -0.02 0.00 0.00 54.58 51.61 3d52 n ASN 332 Cb 0.62 -0.64 -0.16 0.00 -2.36 0.00 0.00 39.78 37.24 3d52 n ASN 332 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3d52 s VAL 333 N -1.88 2.17 -0.06 3.53 1.01 -1.26 -0.51 120.40 123.40 3d52 s VAL 333 Ca 0.30 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.37 3d52 s VAL 333 Cb 0.24 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 3d52 s VAL 333 CO 0.07 0.55 -0.21 -0.22 0.00 0.00 0.00 175.10 175.29 3d52 s LEU 334 N 0.63 1.98 -0.22 3.92 2.96 0.81 -4.97 118.68 123.79 3d52 s LEU 334 Ca -0.11 -0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 53.23 3d52 s LEU 334 Cb -0.16 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 3d52 s LEU 334 CO 0.02 0.18 0.28 -0.22 -1.32 0.00 0.00 176.35 175.29 3d52 s LEU 335 N 0.04 4.13 -0.48 -0.68 2.96 -1.26 -0.95 118.68 122.44 3d52 s LEU 335 Ca -0.06 0.30 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 3d52 s LEU 335 Cb -0.13 -2.30 0.13 0.00 0.50 0.00 0.00 46.19 44.38 3d52 s LEU 335 CO 0.04 -0.01 0.24 -0.63 -1.32 0.00 0.00 176.35 174.67 3d52 s ILE 336 N 1.21 2.01 0.59 6.68 -1.09 0.51 -4.97 121.20 126.14 3d52 s ILE 336 Ca 0.13 -2.92 -0.20 0.00 -2.23 0.00 0.00 60.65 55.42 3d52 s ILE 336 Cb -0.14 -2.40 -0.03 0.00 -1.58 0.00 0.00 42.46 38.30 3d52 s ILE 336 CO 0.06 -0.84 1.34 -2.65 -1.23 0.00 0.00 174.94 171.62 3d52 n PRO 337 N 3.35 1.47 -3.57 2.79 -0.02 -1.26 -0.59 135.00 137.17 3d52 n PRO 337 Ca 0.07 0.55 -0.29 0.00 -2.02 0.00 0.00 63.50 61.81 3d52 n PRO 337 Cb 0.33 -2.57 -0.12 0.00 -0.02 0.00 0.00 33.50 31.12 3d52 n PRO 337 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3d52 s LEU 338 N -3.84 1.75 0.00 2.45 2.96 0.12 -4.72 118.68 117.40 3d52 s LEU 338 Ca 0.76 -2.39 0.00 0.00 -0.22 0.00 0.00 54.13 52.28 3d52 s LEU 338 Cb -0.40 -0.68 0.00 0.00 0.50 0.00 0.00 46.19 45.61 3d52 s LEU 338 CO 0.45 -0.29 0.00 0.61 -1.32 0.00 0.00 176.35 175.81 3d52 n GLY 339 N 3.81 -1.19 0.51 7.98 0.00 -1.26 -1.72 105.19 113.31 3d52 n GLY 339 Ca 0.11 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3d52 n GLY 339 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d52 n ASP 340 N 0.12 -0.19 -4.72 1.61 -0.08 -1.25 -3.21 116.55 108.84 3d52 n ASP 340 Ca 0.00 -1.07 -0.42 0.00 -1.51 0.00 0.00 54.79 51.79 3d52 n ASP 340 Cb 0.00 0.30 -0.03 0.00 2.34 0.00 0.00 41.12 43.73 3d52 n ASP 340 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 3d52 s ASP 341 N -1.34 6.67 -1.56 1.67 1.11 -1.26 -1.06 116.67 120.90 3d52 s ASP 341 Ca 0.03 2.50 -0.16 0.00 0.18 0.00 0.00 52.55 55.11 3d52 s ASP 341 Cb -0.00 -2.59 0.13 0.00 1.07 0.00 0.00 42.92 41.53 3d52 s ASP 341 CO 0.00 -0.76 0.73 0.49 1.18 0.00 0.00 175.17 176.81 3d52 n PHE 342 N 4.03 -1.82 -2.00 4.23 3.72 0.57 -4.80 117.46 121.39 3d52 n PHE 342 Ca 0.13 0.72 -0.28 0.00 -0.05 0.00 0.00 57.45 57.97 3d52 n PHE 342 Cb 0.40 -3.01 0.08 0.00 -0.94 0.00 0.00 39.48 36.01 3d52 n PHE 342 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3d52 s ARG 343 N -6.64 2.16 -1.02 -1.08 1.81 -1.17 -4.29 118.95 108.71 3d52 s ARG 343 Ca 0.65 0.05 -0.04 0.00 -1.72 0.00 0.00 55.73 54.66 3d52 s ARG 343 Cb -0.35 -2.03 0.00 0.00 -0.45 0.00 0.00 34.95 32.13 3d52 s ARG 343 CO 0.79 -1.41 0.57 1.19 -0.68 0.00 0.00 175.30 175.76 3d52 n PHE 344 N -3.15 -1.59 -0.06 -0.53 3.72 -1.26 -4.73 117.46 109.86 3d52 n PHE 344 Ca 0.08 0.49 -0.20 0.00 -0.05 0.00 0.00 57.45 57.76 3d52 n PHE 344 Cb 0.60 -3.55 -0.13 0.00 -0.94 0.00 0.00 39.48 35.47 3d52 n PHE 344 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3d52 h LYS 345 N -1.30 0.09 -6.20 -1.08 3.64 -1.88 -3.39 116.57 106.45 3d52 h LYS 345 Ca -0.37 -0.15 -0.58 0.00 -1.27 0.00 0.00 60.65 58.28 3d52 h LYS 345 Cb 1.25 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 3d52 h LYS 345 CO 0.39 1.07 -0.16 -0.65 -2.27 0.00 0.00 179.45 177.83 3d52 s GLN 346 N -2.38 3.89 0.23 1.90 1.11 -1.26 -4.23 119.66 118.92 3d52 s GLN 346 Ca -0.24 0.36 -0.06 0.00 0.01 0.00 0.00 55.36 55.43 3d52 s GLN 346 Cb 0.04 -3.00 0.39 0.00 -1.01 0.00 0.00 33.01 29.43 3d52 s GLN 346 CO 0.67 0.54 1.76 -0.91 0.01 0.00 0.00 175.29 177.36 3d52 h ASN 347 N 3.76 0.40 0.40 5.90 -0.26 -1.94 -0.55 115.58 123.28 3d52 h ASN 347 Ca -0.49 0.08 -0.05 0.00 -0.56 0.00 0.00 56.30 55.28 3d52 h ASN 347 Cb 1.20 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.47 3d52 h ASN 347 CO 0.66 0.20 -0.23 0.71 -1.06 0.00 0.00 177.43 177.71 3d52 h THR 348 N 0.54 0.89 -0.23 2.81 1.35 -1.99 -1.74 112.91 114.54 3d52 h THR 348 Ca 0.38 -0.87 -0.15 0.00 -0.55 0.00 0.00 66.41 65.22 3d52 h THR 348 Cb 0.47 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3d52 h THR 348 CO -0.32 0.22 -0.43 -0.08 -0.25 0.00 0.00 175.52 174.66 3d52 h GLU 349 N 0.00 0.70 -0.71 4.72 4.81 -1.52 -0.93 114.58 121.64 3d52 h GLU 349 Ca -0.00 -0.44 0.09 0.00 -0.13 0.00 0.00 59.36 58.88 3d52 h GLU 349 Cb 0.49 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.85 3d52 h GLU 349 CO 0.03 1.06 0.36 -1.49 -0.73 0.00 0.00 179.01 178.24 3d52 h TRP 350 N 0.41 0.64 -0.15 0.92 4.06 -0.81 -1.74 115.95 119.29 3d52 h TRP 350 Ca 0.01 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.96 3d52 h TRP 350 Cb 1.03 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 29.01 3d52 h TRP 350 CO 0.08 0.23 -0.01 -0.44 -3.56 0.00 0.00 178.44 174.75 3d52 h ASP 351 N 0.61 0.27 -0.51 -3.49 3.32 -1.22 -1.23 116.42 114.17 3d52 h ASP 351 Ca 0.35 -0.32 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 3d52 h ASP 351 Cb 0.37 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3d52 h ASP 351 CO -0.27 0.52 -0.16 1.62 -1.72 0.00 0.00 179.24 179.23 3d52 h VAL 352 N 0.01 1.27 0.04 -1.35 3.04 -0.92 0.56 116.25 118.90 3d52 h VAL 352 Ca 0.04 -1.32 -0.00 0.00 -1.01 0.00 0.00 66.70 64.41 3d52 h VAL 352 Cb 0.39 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 3d52 h VAL 352 CO 0.01 0.46 -0.02 1.56 -1.01 0.00 0.00 177.57 178.57 3d52 h GLN 353 N 0.88 -0.05 -0.10 4.17 1.08 -1.34 -3.02 115.11 116.73 3d52 h GLN 353 Ca 0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3d52 h GLN 353 Cb 0.74 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.17 3d52 h GLN 353 CO 0.06 0.40 0.06 -0.09 -0.95 0.00 0.00 178.83 178.30 3d52 h ARG 354 N -0.52 0.13 -0.36 1.46 2.43 -1.09 -1.82 114.38 114.61 3d52 h ARG 354 Ca -0.01 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 3d52 h ARG 354 Cb 0.47 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3d52 h ARG 354 CO 0.01 0.10 -0.08 0.28 -1.51 0.00 0.00 179.97 178.77 3d52 h VAL 355 N 0.12 1.28 -0.58 0.20 2.07 -1.00 0.41 116.25 118.74 3d52 h VAL 355 Ca 0.03 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 3d52 h VAL 355 Cb 0.00 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3d52 h VAL 355 CO -0.01 0.38 0.17 0.78 0.02 0.00 0.00 177.57 178.91 3d52 h ASN 356 N 0.48 0.85 -0.52 0.57 2.35 -1.53 -1.13 115.58 116.65 3d52 h ASN 356 Ca 0.09 -0.21 -0.12 0.00 -0.55 0.00 0.00 56.30 55.51 3d52 h ASN 356 Cb 0.58 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3d52 h ASN 356 CO 0.03 0.84 -0.13 1.88 -1.65 0.00 0.00 177.43 178.41 3d52 h TYR 357 N 0.82 1.13 -0.85 1.19 -1.99 -1.08 -2.01 116.97 114.18 3d52 h TYR 357 Ca 0.18 -0.24 0.08 0.00 2.00 0.00 0.00 58.73 60.75 3d52 h TYR 357 Cb 0.30 -0.28 -0.07 0.00 2.00 0.00 0.00 36.73 38.69 3d52 h TYR 357 CO 0.02 1.06 0.51 0.93 -0.00 0.00 0.00 178.16 180.68 3d52 h GLU 358 N 0.87 0.87 -0.60 4.88 5.08 -0.73 0.14 114.58 125.09 3d52 h GLU 358 Ca 0.13 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3d52 h GLU 358 Cb 0.70 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3d52 h GLU 358 CO 0.05 0.57 0.11 0.00 -1.00 0.00 0.00 179.01 178.75 3d52 h ARG 359 N 0.89 0.97 -0.29 2.33 3.08 -0.90 -0.38 114.38 120.07 3d52 h ARG 359 Ca 0.39 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 3d52 h ARG 359 Cb 0.27 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3d52 h ARG 359 CO -0.21 0.88 0.04 -0.07 -1.07 0.00 0.00 179.97 179.55 3d52 h LEU 360 N 0.91 0.46 -0.62 3.04 3.38 -0.62 -2.34 115.31 119.53 3d52 h LEU 360 Ca 0.19 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3d52 h LEU 360 Cb 0.38 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3d52 h LEU 360 CO 0.01 0.61 0.27 -0.26 0.09 0.00 0.00 178.44 179.15 3d52 h PHE 361 N 0.29 0.92 -0.55 1.13 0.04 -0.43 0.75 116.94 119.10 3d52 h PHE 361 Ca 0.09 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 3d52 h PHE 361 Cb 0.35 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 3d52 h PHE 361 CO 0.02 0.71 0.33 1.49 -0.60 0.00 0.00 178.31 180.27 3d52 h GLU 362 N 0.85 0.74 0.33 1.51 4.81 -0.97 -0.25 114.58 121.60 3d52 h GLU 362 Ca 0.21 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3d52 h GLU 362 Cb 0.16 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3d52 h GLU 362 CO -0.02 0.53 -0.16 1.25 -0.73 0.00 0.00 179.01 179.88 3d52 h HIS 363 N 0.74 -0.40 -0.65 0.92 2.76 -1.02 -2.89 115.15 114.60 3d52 h HIS 363 Ca 0.20 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.43 3d52 h HIS 363 Cb -0.02 0.13 -0.06 0.00 1.55 0.00 0.00 27.41 29.01 3d52 h HIS 363 CO -0.03 -0.07 0.33 0.82 -1.30 0.00 0.00 177.93 177.69 3d52 h ILE 364 N -0.81 0.90 0.00 6.26 2.04 -0.78 -2.31 117.51 122.81 3d52 h ILE 364 Ca -0.04 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.50 3d52 h ILE 364 Cb 0.52 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3d52 h ILE 364 CO 0.07 0.11 -0.52 0.78 0.00 0.00 0.00 178.15 178.59 3d52 h ASN 365 N 0.59 0.00 1.02 1.72 2.35 -1.10 -2.99 115.58 117.18 3d52 h ASN 365 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3d52 h ASN 365 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3d52 h ASN 365 CO -0.23 0.52 -0.50 0.77 -1.65 0.00 0.00 177.43 176.35 3d52 h SER 366 N 0.00 0.00 -3.08 5.81 4.64 -1.27 -3.43 113.55 116.22 3d52 h SER 366 Ca -0.01 -0.16 -0.74 0.00 -0.47 0.00 0.00 61.79 60.42 3d52 h SER 366 Cb 1.17 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.03 3d52 h SER 366 CO 0.07 0.08 -0.07 -1.10 -0.87 0.00 0.00 176.83 174.93 3d52 s GLN 367 N -3.16 3.07 0.51 4.77 -1.52 -0.89 -4.94 119.66 117.49 3d52 s GLN 367 Ca 0.07 -1.65 0.21 0.00 -1.95 0.00 0.00 55.36 52.04 3d52 s GLN 367 Cb 0.13 -4.31 1.29 0.00 -0.22 0.00 0.00 33.01 29.90 3d52 s GLN 367 CO 0.70 -1.40 2.02 0.00 -0.25 0.00 0.00 175.29 176.35 3d52 h ALA 368 N 8.89 2.31 0.00 6.09 0.00 -1.84 -1.90 119.26 132.82 3d52 h ALA 368 Ca -0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3d52 h ALA 368 Cb 1.09 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3d52 h ALA 368 CO 1.04 -0.44 -0.00 1.12 0.00 0.00 0.00 179.25 180.97 3d52 h HIS 369 N 0.09 0.00 0.00 0.00 2.07 -1.93 -0.58 115.15 114.81 3d52 h HIS 369 Ca 0.22 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.59 3d52 h HIS 369 Cb 0.75 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.71 3d52 h HIS 369 CO -0.00 0.00 -0.72 0.74 -3.07 0.00 0.00 177.93 174.88 3d52 h PHE 370 N 0.00 0.00 -6.23 6.12 0.04 -1.64 -3.48 116.94 111.75 3d52 h PHE 370 Ca -0.00 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.32 3d52 h PHE 370 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 3d52 h PHE 370 CO 0.00 0.72 -0.81 0.09 -0.60 0.00 0.00 178.31 177.71 3d52 n ASN 371 N -3.58 -2.58 -4.17 2.17 3.02 -0.23 -4.87 115.26 105.03 3d52 n ASN 371 Ca -0.00 -0.83 -0.24 0.00 -0.03 0.00 0.00 54.58 53.47 3d52 n ASN 371 Cb 0.73 -3.85 -0.15 0.00 -0.61 0.00 0.00 39.78 35.89 3d52 n ASN 371 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3d52 s VAL 372 N -3.54 1.37 -0.25 2.41 1.01 -1.26 -0.83 120.40 119.31 3d52 s VAL 372 Ca 0.29 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3d52 s VAL 372 Cb -0.14 -1.15 0.06 0.00 0.00 0.00 0.00 36.38 35.15 3d52 s VAL 372 CO 0.83 0.36 -0.05 -1.58 0.00 0.00 0.00 175.10 174.65 3d52 s GLN 373 N -0.49 1.70 0.02 2.72 2.00 -0.18 -4.31 119.66 121.12 3d52 s GLN 373 Ca 0.06 -1.12 0.06 0.00 -2.00 0.00 0.00 55.36 52.36 3d52 s GLN 373 Cb -0.07 -2.67 -0.03 0.00 0.80 0.00 0.00 33.01 31.04 3d52 s GLN 373 CO -0.00 -0.63 -0.15 0.00 -0.50 0.00 0.00 175.29 174.00 3d52 s ALA 374 N 1.31 2.69 0.16 1.58 0.00 -1.26 -0.95 121.76 125.29 3d52 s ALA 374 Ca -0.05 -1.12 -0.20 0.00 0.00 0.00 0.00 51.96 50.59 3d52 s ALA 374 Cb -0.19 -0.86 0.05 0.00 0.00 0.00 0.00 23.12 22.13 3d52 s ALA 374 CO -0.07 0.58 0.53 1.14 0.00 0.00 0.00 175.76 177.94 3d52 s GLN 375 N -1.30 1.24 0.40 0.00 0.00 -0.55 -4.90 119.66 114.55 3d52 s GLN 375 Ca 0.15 -0.61 -0.26 0.00 -0.00 0.00 0.00 55.36 54.63 3d52 s GLN 375 Cb -0.11 0.54 -0.09 0.00 0.00 0.00 0.00 33.01 33.36 3d52 s GLN 375 CO 0.05 -0.52 1.29 -0.06 0.00 0.00 0.00 175.29 176.05 3d52 s PHE 376 N -3.79 2.87 0.26 9.60 0.08 -1.26 -0.87 117.98 124.86 3d52 s PHE 376 Ca 0.03 1.42 -0.03 0.00 0.12 0.00 0.00 56.93 58.47 3d52 s PHE 376 Cb -0.00 -3.65 -0.02 0.00 -0.57 0.00 0.00 43.02 38.78 3d52 s PHE 376 CO -0.11 -2.01 0.31 0.20 -0.10 0.00 0.00 175.22 173.52 3d52 s GLY 377 N -0.73 1.33 0.44 4.36 0.00 0.24 -4.78 107.32 108.19 3d52 s GLY 377 Ca 0.56 -1.50 0.08 0.00 0.00 0.00 0.00 44.72 43.85 3d52 s GLY 377 CO 0.49 -1.13 0.41 -0.51 0.00 0.00 0.00 173.10 172.36 3d52 s THR 378 N -3.81 2.50 0.14 0.90 -4.23 -1.26 -4.23 115.64 105.66 3d52 s THR 378 Ca 0.33 -1.33 -0.14 0.00 -1.18 0.00 0.00 61.69 59.37 3d52 s THR 378 Cb 0.03 -2.83 0.02 0.00 1.34 0.00 0.00 72.50 71.05 3d52 s THR 378 CO 0.15 0.00 1.67 0.25 -0.54 0.00 0.00 174.62 176.15 3d52 h LEU 379 N 0.93 0.67 -1.24 4.79 5.85 -1.96 -2.24 115.31 122.10 3d52 h LEU 379 Ca -0.40 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 3d52 h LEU 379 Cb 1.27 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3d52 h LEU 379 CO 0.56 0.69 0.34 -0.61 -0.34 0.00 0.00 178.44 179.08 3d52 h GLN 380 N 0.61 0.86 -0.89 1.25 5.75 -1.95 -1.60 115.11 119.13 3d52 h GLN 380 Ca 0.15 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3d52 h GLN 380 Cb 0.25 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.59 3d52 h GLN 380 CO -0.01 0.64 0.56 0.93 -2.65 0.00 0.00 178.83 178.30 3d52 h GLU 381 N 0.87 1.20 0.27 1.69 5.08 -1.86 0.13 114.58 121.96 3d52 h GLU 381 Ca 0.22 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3d52 h GLU 381 Cb 0.03 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.02 3d52 h GLU 381 CO -0.04 0.82 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.75 3d52 h TYR 382 N 1.22 -0.34 -0.74 4.33 3.20 -0.81 -1.58 116.97 122.24 3d52 h TYR 382 Ca 0.32 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.15 3d52 h TYR 382 Cb -0.09 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3d52 h TYR 382 CO -0.00 -0.11 0.31 0.74 -1.64 0.00 0.00 178.16 177.46 3d52 h PHE 383 N -0.52 1.11 -0.76 -3.82 0.04 -0.96 -0.65 116.94 111.37 3d52 h PHE 383 Ca -0.04 -0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.70 3d52 h PHE 383 Cb 0.39 -0.34 -0.05 0.00 2.20 0.00 0.00 35.95 38.15 3d52 h PHE 383 CO -0.02 0.84 0.47 -0.44 -0.60 0.00 0.00 178.31 178.56 3d52 h ASP 384 N 1.08 0.75 0.09 2.17 3.32 -0.63 -0.94 116.42 122.26 3d52 h ASP 384 Ca 0.25 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.16 3d52 h ASP 384 Cb 0.19 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3d52 h ASP 384 CO -0.02 0.51 -0.54 0.00 -1.72 0.00 0.00 179.24 177.46 3d52 h ALA 385 N 1.34 0.76 -0.85 3.45 0.00 -0.52 -1.03 119.26 122.42 3d52 h ALA 385 Ca 0.32 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3d52 h ALA 385 Cb 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3d52 h ALA 385 CO -0.14 0.69 0.43 0.28 0.00 0.00 0.00 179.25 180.51 3d52 h VAL 386 N 0.38 1.26 0.00 0.00 2.07 -0.51 -1.21 116.25 118.23 3d52 h VAL 386 Ca 0.01 -0.68 -0.14 0.00 0.82 0.00 0.00 66.70 66.71 3d52 h VAL 386 Cb 1.06 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3d52 h VAL 386 CO 0.10 0.30 -0.65 0.45 0.02 0.00 0.00 177.57 177.79 3d52 h HIS 387 N 1.20 0.00 -0.27 1.57 -0.00 -0.89 -0.24 115.15 116.52 3d52 h HIS 387 Ca 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.66 3d52 h HIS 387 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 3d52 h HIS 387 CO 0.01 0.65 0.13 1.96 -0.00 0.00 0.00 177.93 180.68 3d52 h GLN 388 N 0.00 0.39 -0.90 2.45 4.20 -0.91 0.22 115.11 120.55 3d52 h GLN 388 Ca -0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3d52 h GLN 388 Cb 1.15 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.82 3d52 h GLN 388 CO 0.08 0.38 0.58 0.00 -0.67 0.00 0.00 178.83 179.21 3d52 h ALA 389 N 0.99 1.15 -0.46 3.87 0.00 -0.77 -0.97 119.26 123.06 3d52 h ALA 389 Ca 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3d52 h ALA 389 Cb 0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3d52 h ALA 389 CO -0.01 0.56 0.19 1.49 0.00 0.00 0.00 179.25 181.48 3d52 h GLU 390 N 1.23 0.68 -0.24 0.00 4.81 -0.70 -1.08 114.58 119.29 3d52 h GLU 390 Ca 0.33 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 3d52 h GLU 390 Cb -0.11 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 3d52 h GLU 390 CO -0.07 0.61 -0.02 0.00 -0.73 0.00 0.00 179.01 178.81 3d52 h ARG 391 N 0.60 0.36 0.00 1.92 3.08 -0.63 -0.69 114.38 119.02 3d52 h ARG 391 Ca 0.15 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3d52 h ARG 391 Cb 0.18 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3d52 h ARG 391 CO -0.01 0.40 0.00 0.00 -1.07 0.00 0.00 179.97 179.29 3d52 n ALA 392 N -2.49 2.41 -1.06 0.04 0.00 -0.40 -4.87 120.51 114.14 3d52 n ALA 392 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 3d52 n ALA 392 Cb 0.22 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 3d52 n ALA 392 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d52 n GLY 393 N 0.53 0.55 0.25 0.00 0.00 -0.27 -4.94 105.19 101.31 3d52 n GLY 393 Ca 0.18 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3d52 n GLY 393 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3d52 h GLN 394 N 0.00 0.40 -2.65 1.61 4.20 -1.36 -3.46 115.11 113.84 3d52 h GLN 394 Ca -0.05 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 3d52 h GLN 394 Cb 0.14 -0.05 -0.17 0.00 0.30 0.00 0.00 27.48 27.70 3d52 h GLN 394 CO 0.07 0.50 0.01 0.00 -0.67 0.00 0.00 178.83 178.74 3d52 s ALA 395 N -4.81 -1.32 -0.04 3.87 0.00 -1.26 -4.90 121.76 113.29 3d52 s ALA 395 Ca -0.07 0.70 0.07 0.00 0.00 0.00 0.00 51.96 52.66 3d52 s ALA 395 Cb 0.15 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 3d52 s ALA 395 CO 0.75 -0.43 -0.25 -1.83 0.00 0.00 0.00 175.76 174.00 3d52 s GLU 396 N -2.00 2.37 0.04 0.00 -1.05 -1.26 -4.73 118.70 112.07 3d52 s GLU 396 Ca -0.08 -0.91 -0.07 0.00 -0.15 0.00 0.00 54.97 53.75 3d52 s GLU 396 Cb -0.01 -2.11 -0.05 0.00 -0.44 0.00 0.00 34.13 31.51 3d52 s GLU 396 CO 0.02 0.46 0.32 -0.06 0.95 0.00 0.00 175.26 176.94 3d52 s PHE 397 N -0.35 3.58 0.57 4.83 0.08 -1.26 -5.09 117.98 120.33 3d52 s PHE 397 Ca 0.02 0.64 -0.17 0.00 0.12 0.00 0.00 56.93 57.55 3d52 s PHE 397 Cb -0.12 -2.04 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 3d52 s PHE 397 CO 0.02 0.57 1.05 -1.25 -0.10 0.00 0.00 175.22 175.51 3d52 s PRO 398 N -1.85 3.46 0.08 0.24 0.04 -1.26 -4.80 135.00 130.91 3d52 s PRO 398 Ca 0.30 1.22 -0.07 0.00 0.04 0.00 0.00 61.00 62.49 3d52 s PRO 398 Cb -0.13 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 3d52 s PRO 398 CO 0.17 -0.70 0.34 0.95 0.04 0.00 0.00 177.00 177.81 3d52 s THR 399 N -2.37 5.19 -0.04 1.26 -4.23 -1.26 -0.81 115.64 113.38 3d52 s THR 399 Ca 0.64 0.20 -0.04 0.00 -1.18 0.00 0.00 61.69 61.30 3d52 s THR 399 Cb -0.16 -3.61 0.01 0.00 1.34 0.00 0.00 72.50 70.08 3d52 s THR 399 CO 0.33 0.23 0.11 -0.22 -0.54 0.00 0.00 174.62 174.53 3d52 s LEU 400 N -2.12 1.58 0.12 4.79 0.20 -0.44 -1.34 118.68 121.48 3d52 s LEU 400 Ca 0.34 0.14 0.02 0.00 0.69 0.00 0.00 54.13 55.32 3d52 s LEU 400 Cb -0.13 0.43 -0.04 0.00 -0.43 0.00 0.00 46.19 46.01 3d52 s LEU 400 CO 0.20 -0.10 -0.05 -0.94 -0.29 0.00 0.00 176.35 175.17 3d52 s SER 401 N -0.20 1.19 0.00 3.68 1.04 -0.22 -0.99 113.70 118.21 3d52 s SER 401 Ca -0.03 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.35 3d52 s SER 401 Cb -0.02 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.20 3d52 s SER 401 CO 0.00 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.34 3d52 n GLY 402 N -0.11 0.30 3.58 7.32 0.00 -1.26 -0.80 105.19 114.22 3d52 n GLY 402 Ca -0.10 -2.28 -0.28 0.00 0.00 0.00 0.00 46.02 43.36 3d52 n GLY 402 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3d52 s ASP 403 N -4.00 3.16 -0.43 1.61 -4.77 -1.26 -4.31 116.67 106.67 3d52 s ASP 403 Ca 0.00 -1.66 0.08 0.00 -3.30 0.00 0.00 52.55 47.67 3d52 s ASP 403 Cb 0.00 0.48 0.42 0.00 -1.09 0.00 0.00 42.92 42.73 3d52 s ASP 403 CO 0.00 -0.90 1.06 0.49 0.70 0.00 0.00 175.17 176.52 3d52 n PHE 404 N -1.00 2.99 -4.43 2.11 3.72 -0.33 -4.92 117.46 115.60 3d52 n PHE 404 Ca -0.09 -3.15 -0.26 0.00 -0.05 0.00 0.00 57.45 53.89 3d52 n PHE 404 Cb 0.66 -0.18 -0.11 0.00 -0.94 0.00 0.00 39.48 38.90 3d52 n PHE 404 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3d52 s PHE 405 N -3.43 2.30 -0.04 1.38 0.08 -1.26 -2.62 117.98 114.38 3d52 s PHE 405 Ca 0.44 -0.35 -0.17 0.00 0.12 0.00 0.00 56.93 56.97 3d52 s PHE 405 Cb 0.40 -1.12 -0.05 0.00 -0.57 0.00 0.00 43.02 41.68 3d52 s PHE 405 CO -0.14 0.54 0.47 0.99 -0.10 0.00 0.00 175.22 176.98 3d52 s THR 406 N -1.81 5.05 0.29 0.64 2.01 -1.26 -5.09 115.64 115.47 3d52 s THR 406 Ca 0.22 0.96 -0.29 0.00 0.31 0.00 0.00 61.69 62.89 3d52 s THR 406 Cb -0.07 -3.80 -0.10 0.00 0.01 0.00 0.00 72.50 68.54 3d52 s THR 406 CO 0.11 0.46 1.22 -0.47 -0.69 0.00 0.00 174.62 175.25 3d52 s TYR 407 N -0.29 3.28 -0.03 4.92 5.04 -1.26 -4.79 117.35 124.22 3d52 s TYR 407 Ca 0.26 1.50 0.03 0.00 -2.44 0.00 0.00 57.07 56.42 3d52 s TYR 407 Cb -0.16 -3.51 0.00 0.00 0.35 0.00 0.00 41.96 38.63 3d52 s TYR 407 CO 0.13 -1.34 -0.11 0.00 -1.34 0.00 0.00 175.55 172.88 3d52 s ALA 408 N -0.98 1.05 -0.13 3.97 0.00 -1.26 -0.85 121.76 123.55 3d52 s ALA 408 Ca 0.48 -0.44 0.18 0.00 0.00 0.00 0.00 51.96 52.17 3d52 s ALA 408 Cb -0.36 -0.36 -0.15 0.00 0.00 0.00 0.00 23.12 22.24 3d52 s ALA 408 CO 0.46 0.18 0.75 -0.40 0.00 0.00 0.00 175.76 176.76 3d52 n ASP 409 N 3.21 0.73 -3.48 0.00 5.75 -1.22 -2.74 116.55 118.80 3d52 n ASP 409 Ca -0.18 0.32 -0.13 0.00 -0.01 0.00 0.00 54.79 54.79 3d52 n ASP 409 Cb 0.54 0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 40.97 3d52 n ASP 409 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3d52 s ARG 410 N -2.96 1.07 0.00 0.11 1.70 -1.26 -4.78 118.95 112.83 3d52 s ARG 410 Ca -0.04 -0.20 0.00 0.00 -0.47 0.00 0.00 55.73 55.02 3d52 s ARG 410 Cb 0.09 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.97 3d52 s ARG 410 CO 0.82 -0.43 0.00 -1.13 -1.08 0.00 0.00 175.30 173.48 3d52 n SER 411 N 0.06 0.00 -1.60 -2.89 3.41 -1.26 -1.06 113.62 110.28 3d52 n SER 411 Ca -0.15 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.48 3d52 n SER 411 Cb 0.62 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.89 3d52 n SER 411 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3d52 n ASP 412 N 1.20 4.72 -4.50 4.04 5.75 -1.26 -4.86 116.55 121.63 3d52 n ASP 412 Ca 0.00 -3.11 -0.43 0.00 -0.01 0.00 0.00 54.79 51.23 3d52 n ASP 412 Cb 0.00 -0.66 -0.01 0.00 -1.03 0.00 0.00 41.12 39.42 3d52 n ASP 412 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3d52 s ASN 413 N -1.32 6.85 -0.03 -1.12 0.02 -0.23 -4.96 114.94 114.15 3d52 s ASN 413 Ca 0.51 -2.46 -0.18 0.00 -1.02 0.00 0.00 52.86 49.71 3d52 s ASN 413 Cb 0.40 -2.46 -0.05 0.00 0.02 0.00 0.00 41.25 39.16 3d52 s ASN 413 CO 0.12 -1.01 0.49 -0.31 0.02 0.00 0.00 177.10 176.41 3d52 s TYR 414 N 2.86 3.66 -1.21 2.20 1.51 -1.26 -3.41 117.35 121.71 3d52 s TYR 414 Ca 0.43 1.04 -0.04 0.00 -1.01 0.00 0.00 57.07 57.49 3d52 s TYR 414 Cb -0.01 -2.47 0.20 0.00 -0.11 0.00 0.00 41.96 39.58 3d52 s TYR 414 CO -0.02 0.42 2.07 0.91 -1.11 0.00 0.00 175.55 177.83 3d52 n TRP 415 N 2.59 2.65 0.96 2.71 7.02 -0.03 -2.85 117.44 130.49 3d52 n TRP 415 Ca -0.10 -2.71 0.11 0.00 -1.02 0.00 0.00 57.50 53.78 3d52 n TRP 415 Cb 0.52 -1.60 0.00 0.00 -2.42 0.00 0.00 31.31 27.81 3d52 n TRP 415 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3d52 n SER 416 N 1.39 2.06 -0.14 -0.99 3.41 -1.22 -4.43 113.62 113.70 3d52 n SER 416 Ca 0.52 -1.53 -0.09 0.00 -0.26 0.00 0.00 58.87 57.51 3d52 n SER 416 Cb 0.27 0.44 0.05 0.00 -0.26 0.00 0.00 64.21 64.71 3d52 n SER 416 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3d52 h GLY 417 N 4.66 1.00 1.17 5.00 0.00 -1.21 -2.81 103.07 110.87 3d52 h GLY 417 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.52 3d52 h GLY 417 CO 0.00 0.74 0.00 1.58 0.00 0.00 0.00 176.54 178.86 3d52 n TYR 418 N -4.14 0.00 0.46 5.60 4.11 -1.02 -1.31 117.16 120.85 3d52 n TYR 418 Ca 0.01 0.00 0.10 0.00 -0.00 0.00 0.00 57.90 58.01 3d52 n TYR 418 Cb 0.41 -0.08 0.41 0.00 -0.00 0.00 0.00 39.34 40.07 3d52 n TYR 418 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 3d52 n TYR 419 N -1.08 0.43 0.00 -3.48 4.01 -1.06 -3.83 117.16 112.15 3d52 n TYR 419 Ca 0.16 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 58.07 3d52 n TYR 419 Cb 0.11 -0.77 0.00 0.00 -0.31 0.00 0.00 39.34 38.38 3d52 n TYR 419 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3d52 n THR 420 N -1.89 0.00 -1.61 -0.72 -1.04 -0.43 -2.35 114.28 106.25 3d52 n THR 420 Ca 0.03 0.00 -0.47 0.00 -2.04 0.00 0.00 64.05 61.57 3d52 n THR 420 Cb 0.21 -0.10 -0.03 0.00 -1.82 0.00 0.00 70.33 68.58 3d52 n THR 420 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3d52 n SER 421 N -1.10 1.74 -3.42 8.00 7.64 -0.88 -2.68 113.62 122.93 3d52 n SER 421 Ca 0.00 1.15 -0.21 0.00 1.01 0.00 0.00 58.87 60.82 3d52 n SER 421 Cb 0.13 -1.29 0.05 0.00 -1.01 0.00 0.00 64.21 62.09 3d52 n SER 421 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3d52 n ARG 422 N 1.59 -1.75 0.25 1.43 3.00 -1.26 -4.11 116.66 115.82 3d52 n ARG 422 Ca 0.13 0.75 0.13 0.00 -0.01 0.00 0.00 57.85 58.85 3d52 n ARG 422 Cb 0.28 -5.07 0.62 0.00 0.00 0.00 0.00 32.46 28.29 3d52 n ARG 422 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 3d52 h PRO 423 N -1.28 0.00 -0.72 5.56 0.13 -1.83 -2.61 132.00 131.25 3d52 h PRO 423 Ca -0.59 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.57 3d52 h PRO 423 Cb 1.31 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 3d52 h PRO 423 CO 0.44 0.12 0.46 -0.92 -0.23 0.00 0.00 178.00 177.87 3d52 h TYR 424 N 0.00 0.85 0.00 1.56 5.03 -1.90 -1.08 116.97 121.43 3d52 h TYR 424 Ca -0.00 0.02 -0.19 0.00 2.58 0.00 0.00 58.73 61.14 3d52 h TYR 424 Cb 0.56 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.54 3d52 h TYR 424 CO 0.00 0.49 -0.92 0.45 -1.32 0.00 0.00 178.16 176.86 3d52 h HIS 425 N 0.89 0.04 -0.68 -3.82 -0.00 -1.84 -0.97 115.15 108.76 3d52 h HIS 425 Ca 0.29 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.70 3d52 h HIS 425 Cb 0.02 -0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.37 3d52 h HIS 425 CO -0.04 0.92 0.39 0.87 -0.00 0.00 0.00 177.93 180.07 3d52 h LYS 426 N 0.01 0.69 -0.41 2.45 1.57 -1.26 -0.68 116.57 118.94 3d52 h LYS 426 Ca -0.02 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 3d52 h LYS 426 Cb 1.61 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.75 3d52 h LYS 426 CO 0.12 0.46 -0.21 -0.09 -0.57 0.00 0.00 179.45 179.16 3d52 h ARG 427 N 0.71 0.87 -0.50 3.15 9.65 -1.03 -2.98 114.38 124.25 3d52 h ARG 427 Ca 0.30 -0.39 0.01 0.00 -1.10 0.00 0.00 59.98 58.81 3d52 h ARG 427 Cb 0.18 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 3d52 h ARG 427 CO -0.18 1.03 0.33 1.98 2.80 0.00 0.00 179.97 185.93 3d52 h MET 428 N 0.69 0.63 -0.61 0.20 4.05 -0.82 -1.45 114.93 117.62 3d52 h MET 428 Ca 0.09 -0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.54 3d52 h MET 428 Cb 0.77 -0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 31.38 3d52 h MET 428 CO 0.06 0.41 0.30 0.22 0.23 0.00 0.00 176.91 178.14 3d52 h ASP 429 N 0.65 0.41 0.35 1.39 3.58 -0.98 0.96 116.42 122.78 3d52 h ASP 429 Ca 0.19 0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.54 3d52 h ASP 429 Cb -0.04 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 3d52 h ASP 429 CO -0.04 0.26 -0.59 0.03 -2.88 0.00 0.00 179.24 176.02 3d52 h ARG 430 N 0.55 0.25 0.03 0.28 2.47 -1.26 0.32 114.38 117.01 3d52 h ARG 430 Ca 0.28 -0.17 -0.00 0.00 -1.26 0.00 0.00 59.98 58.84 3d52 h ARG 430 Cb 0.24 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 3d52 h ARG 430 CO -0.21 0.76 -0.01 0.28 0.56 0.00 0.00 179.97 181.35 3d52 h VAL 431 N 0.18 1.22 -0.28 2.04 2.07 -0.86 -2.75 116.25 117.88 3d52 h VAL 431 Ca -0.00 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 3d52 h VAL 431 Cb 1.09 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 3d52 h VAL 431 CO 0.09 0.20 -0.08 0.25 0.02 0.00 0.00 177.57 178.06 3d52 h LEU 432 N -0.39 0.44 -0.56 2.57 5.85 -0.69 -1.41 115.31 121.11 3d52 h LEU 432 Ca -0.00 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.70 3d52 h LEU 432 Cb 0.37 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 3d52 h LEU 432 CO 0.01 0.56 0.20 -0.03 -0.34 0.00 0.00 178.44 178.84 3d52 h MET 433 N 0.43 0.36 -0.27 1.25 4.05 -0.86 0.11 114.93 120.00 3d52 h MET 433 Ca 0.09 -0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.37 3d52 h MET 433 Cb 0.41 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.13 3d52 h MET 433 CO 0.02 0.24 -0.26 1.25 0.23 0.00 0.00 176.91 178.39 3d52 h HIS 434 N 0.37 0.79 -0.04 1.39 -0.00 -1.07 -2.41 115.15 114.18 3d52 h HIS 434 Ca 0.28 -0.23 -0.10 0.00 -0.00 0.00 0.00 60.37 60.31 3d52 h HIS 434 Cb 0.33 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.56 3d52 h HIS 434 CO -0.17 0.96 -0.45 1.88 -0.00 0.00 0.00 177.93 180.15 3d52 h TYR 435 N 0.39 0.10 -0.28 5.26 0.05 -0.69 0.60 116.97 122.40 3d52 h TYR 435 Ca 0.05 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 3d52 h TYR 435 Cb 0.82 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.53 3d52 h TYR 435 CO 0.07 0.52 0.08 0.28 -1.05 0.00 0.00 178.16 178.06 3d52 h VAL 436 N 0.07 1.21 -0.26 -2.88 2.07 -0.79 0.11 116.25 115.78 3d52 h VAL 436 Ca 0.00 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 66.88 3d52 h VAL 436 Cb 0.82 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3d52 h VAL 436 CO 0.06 0.22 0.05 -0.09 0.02 0.00 0.00 177.57 177.84 3d52 h ARG 437 N 0.29 0.14 -0.69 1.57 2.43 -1.00 -0.59 114.38 116.54 3d52 h ARG 437 Ca 0.09 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 3d52 h ARG 437 Cb 0.26 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3d52 h ARG 437 CO -0.00 0.10 0.13 0.00 -1.51 0.00 0.00 179.97 178.68 3d52 h ALA 438 N 1.19 0.92 -0.43 2.80 0.00 -0.74 -1.07 119.26 121.93 3d52 h ALA 438 Ca 0.12 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 3d52 h ALA 438 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3d52 h ALA 438 CO -0.16 0.67 -0.28 0.00 0.00 0.00 0.00 179.25 179.48 3d52 h ALA 439 N 1.06 0.68 -0.46 0.00 0.00 -0.57 0.55 119.26 120.53 3d52 h ALA 439 Ca 0.21 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3d52 h ALA 439 Cb 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3d52 h ALA 439 CO 0.01 0.67 -0.16 0.93 0.00 0.00 0.00 179.25 180.71 3d52 h GLU 440 N 0.79 0.89 -0.00 0.00 5.08 -0.92 -2.06 114.58 118.35 3d52 h GLU 440 Ca 0.09 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3d52 h GLU 440 Cb 0.86 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3d52 h GLU 440 CO 0.08 0.98 -0.00 1.98 -1.00 0.00 0.00 179.01 181.04 3d52 h MET 441 N 0.79 0.00 -0.79 2.33 4.05 -1.05 -1.95 114.93 118.31 3d52 h MET 441 Ca 0.12 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.55 3d52 h MET 441 Cb 0.69 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.45 3d52 h MET 441 CO 0.05 0.62 0.52 -0.07 0.23 0.00 0.00 176.91 178.26 3d52 h LEU 442 N -0.61 0.90 0.00 3.39 3.38 -0.89 -2.02 115.31 119.46 3d52 h LEU 442 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3d52 h LEU 442 Cb 0.62 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3d52 h LEU 442 CO 0.00 0.65 -0.29 -1.54 0.09 0.00 0.00 178.44 177.35 3d52 n SER 443 N -4.42 0.76 0.22 -0.43 3.41 -0.78 -3.76 113.62 108.62 3d52 n SER 443 Ca 0.09 0.36 0.09 0.00 -0.26 0.00 0.00 58.87 59.15 3d52 n SER 443 Cb 0.04 -0.35 0.49 0.00 -0.26 0.00 0.00 64.21 64.12 3d52 n SER 443 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d52 h ALA 444 N 2.52 1.11 0.00 7.33 0.00 -0.57 -3.17 119.26 126.49 3d52 h ALA 444 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3d52 h ALA 444 Cb 0.74 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3d52 h ALA 444 CO 0.00 0.32 -0.10 -1.49 0.00 0.00 0.00 179.25 177.98 3d52 h TRP 445 N 0.00 0.00 -2.39 0.00 4.06 -1.65 -3.44 115.95 112.54 3d52 h TRP 445 Ca -0.00 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.40 3d52 h TRP 445 Cb 0.67 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.69 3d52 h TRP 445 CO 0.00 0.10 -0.69 -1.01 -3.56 0.00 0.00 178.44 173.28 3d52 s HIS 446 N -4.36 2.12 0.07 0.49 3.76 -1.20 -5.06 115.29 111.10 3d52 s HIS 446 Ca -0.03 -0.59 -0.14 0.00 -0.15 0.00 0.00 55.06 54.14 3d52 s HIS 446 Cb 0.14 -1.17 -0.06 0.00 1.11 0.00 0.00 32.58 32.60 3d52 s HIS 446 CO 0.59 0.43 0.47 0.45 -0.85 0.00 0.00 174.74 175.82 3d52 s SER 447 N -3.50 6.81 -0.06 1.40 0.15 -1.26 -4.99 113.70 112.25 3d52 s SER 447 Ca 0.30 0.99 0.04 0.00 0.70 0.00 0.00 55.95 57.99 3d52 s SER 447 Cb 0.02 -2.26 -0.02 0.00 -1.71 0.00 0.00 66.02 62.06 3d52 s SER 447 CO 0.13 0.22 -0.19 0.26 1.20 0.00 0.00 173.24 174.86 3d52 s TRP 448 N -1.26 2.58 0.44 3.44 0.52 -1.26 -5.06 118.94 118.34 3d52 s TRP 448 Ca 0.30 -0.49 -0.23 0.00 0.02 0.00 0.00 56.10 55.70 3d52 s TRP 448 Cb -0.16 -1.64 -0.10 0.00 -1.15 0.00 0.00 33.47 30.42 3d52 s TRP 448 CO 0.17 -0.06 0.92 -3.47 0.02 0.00 0.00 176.95 174.53 3d52 n ASP 449 N 2.78 0.82 0.05 2.95 2.03 -1.26 -4.40 116.55 119.53 3d52 n ASP 449 Ca -0.17 0.99 0.17 0.00 0.52 0.00 0.00 54.79 56.30 3d52 n ASP 449 Cb 0.52 -1.31 0.67 0.00 -0.72 0.00 0.00 41.12 40.27 3d52 n ASP 449 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3d52 h GLY 450 N 1.30 0.04 2.00 0.27 0.00 -2.00 -1.68 103.07 102.99 3d52 h GLY 450 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3d52 h GLY 450 CO 0.55 0.01 0.00 -0.33 0.00 0.00 0.00 176.54 176.77 3d52 h MET 451 N 0.03 0.00 0.00 4.80 2.86 -2.04 -2.19 114.93 118.38 3d52 h MET 451 Ca 0.20 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.80 3d52 h MET 451 Cb 0.78 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 3d52 h MET 451 CO -0.01 0.00 -0.20 0.00 1.06 0.00 0.00 176.91 177.76 3d52 h ALA 452 N 2.01 0.99 -1.79 6.32 0.00 -1.66 -3.47 119.26 121.66 3d52 h ALA 452 Ca 0.00 -0.19 -0.31 0.00 0.00 0.00 0.00 54.91 54.41 3d52 h ALA 452 Cb 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3d52 h ALA 452 CO 0.00 0.26 -0.37 0.54 0.00 0.00 0.00 179.25 179.68 3d52 n ARG 453 N -3.32 -1.20 -0.05 0.00 1.74 -0.82 -4.89 116.66 108.11 3d52 n ARG 453 Ca 0.01 0.84 -0.12 0.00 -0.77 0.00 0.00 57.85 57.81 3d52 n ARG 453 Cb 0.44 -5.15 -0.06 0.00 -1.02 0.00 0.00 32.46 26.68 3d52 n ARG 453 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3d52 h ILE 454 N 0.00 1.26 -0.78 0.55 1.08 -1.84 -1.61 117.51 116.16 3d52 h ILE 454 Ca -0.36 -0.86 -0.05 0.00 -0.39 0.00 0.00 64.86 63.20 3d52 h ILE 454 Cb 1.20 1.50 -0.03 0.00 -3.07 0.00 0.00 36.82 36.41 3d52 h ILE 454 CO 0.45 0.26 0.29 -0.33 -0.69 0.00 0.00 178.15 178.12 3d52 h GLU 455 N 0.04 1.18 -0.31 2.37 3.07 -1.94 0.70 114.58 119.70 3d52 h GLU 455 Ca 0.05 -0.23 0.02 0.00 -0.50 0.00 0.00 59.36 58.70 3d52 h GLU 455 Cb 0.39 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 3d52 h GLU 455 CO 0.01 0.97 0.17 1.49 -1.40 0.00 0.00 179.01 180.24 3d52 h GLU 456 N 1.14 0.33 -0.37 2.33 4.81 -1.93 0.40 114.58 121.30 3d52 h GLU 456 Ca 0.26 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.35 3d52 h GLU 456 Cb 0.25 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3d52 h GLU 456 CO -0.02 0.22 -0.24 0.00 -0.73 0.00 0.00 179.01 178.24 3d52 h ARG 457 N 0.34 0.81 -0.56 1.92 -0.00 -0.63 -1.81 114.38 114.45 3d52 h ARG 457 Ca 0.13 -0.38 -0.11 0.00 -0.50 0.00 0.00 59.98 59.12 3d52 h ARG 457 Cb 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 29.97 29.97 3d52 h ARG 457 CO -0.07 1.01 -0.07 -0.07 0.00 0.00 0.00 179.97 180.77 3d52 h LEU 458 N 0.60 1.02 -0.58 3.04 3.38 -0.77 -0.65 115.31 121.35 3d52 h LEU 458 Ca 0.07 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3d52 h LEU 458 Cb 0.81 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3d52 h LEU 458 CO 0.07 1.11 0.25 -0.08 0.09 0.00 0.00 178.44 179.88 3d52 h GLU 459 N 0.92 0.86 -0.16 1.13 4.81 -0.83 0.60 114.58 121.90 3d52 h GLU 459 Ca 0.15 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3d52 h GLU 459 Cb 0.63 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 3d52 h GLU 459 CO 0.04 0.72 -0.03 0.37 -0.73 0.00 0.00 179.01 179.38 3d52 h GLN 460 N 0.80 0.01 -0.52 1.92 4.15 -1.10 -0.39 115.11 119.98 3d52 h GLN 460 Ca 0.20 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.57 3d52 h GLN 460 Cb 0.17 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 3d52 h GLN 460 CO -0.02 0.01 0.17 0.00 -1.93 0.00 0.00 178.83 177.06 3d52 h ALA 461 N 1.15 0.69 -0.79 3.38 0.00 -0.83 -0.70 119.26 122.16 3d52 h ALA 461 Ca 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3d52 h ALA 461 Cb 0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3d52 h ALA 461 CO -0.15 0.34 0.40 0.00 0.00 0.00 0.00 179.25 179.84 3d52 h ARG 462 N 0.72 1.12 -0.20 0.00 3.08 -0.70 -1.69 114.38 116.71 3d52 h ARG 462 Ca 0.17 -0.15 -0.16 0.00 0.07 0.00 0.00 59.98 59.91 3d52 h ARG 462 Cb 0.27 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3d52 h ARG 462 CO -0.01 0.85 -0.53 0.00 -1.07 0.00 0.00 179.97 179.21 3d52 h ARG 463 N 1.10 0.57 -0.25 0.04 3.08 -0.63 0.12 114.38 118.41 3d52 h ARG 463 Ca 0.27 -0.35 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 3d52 h ARG 463 Cb 0.08 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3d52 h ARG 463 CO -0.04 0.96 -0.19 0.93 -1.07 0.00 0.00 179.97 180.56 3d52 h GLU 464 N 0.44 0.57 -0.67 0.04 4.39 -0.99 0.52 114.58 118.89 3d52 h GLU 464 Ca 0.01 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.36 3d52 h GLU 464 Cb 1.07 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.69 3d52 h GLU 464 CO 0.10 0.86 0.14 1.25 -1.16 0.00 0.00 179.01 180.21 3d52 h LEU 465 N 0.29 1.03 -0.53 1.33 5.85 -1.23 -2.28 115.31 119.77 3d52 h LEU 465 Ca 0.05 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 3d52 h LEU 465 Cb 0.73 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3d52 h LEU 465 CO 0.05 1.01 0.17 0.28 -0.34 0.00 0.00 178.44 179.61 3d52 h SER 466 N 1.00 0.77 -0.79 1.25 0.02 -0.64 -2.44 113.55 112.71 3d52 h SER 466 Ca 0.21 -0.20 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 3d52 h SER 466 Cb 0.39 -0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.66 3d52 h SER 466 CO 0.01 0.77 0.44 0.25 -1.14 0.00 0.00 176.83 177.15 3d52 h LEU 467 N 0.72 0.61 -1.75 5.07 5.85 -0.66 -1.69 115.31 123.46 3d52 h LEU 467 Ca 0.17 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3d52 h LEU 467 Cb 0.27 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3d52 h LEU 467 CO -0.01 0.34 0.00 0.15 -0.34 0.00 0.00 178.44 178.59 3d52 h PHE 468 N 0.73 0.00 0.00 1.25 3.57 -0.93 -1.32 116.94 120.24 3d52 h PHE 468 Ca 0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.89 3d52 h PHE 468 Cb 0.38 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.12 3d52 h PHE 468 CO -0.07 0.00 0.00 1.04 -2.23 0.00 0.00 178.31 177.05 3d52 n GLN 469 N -2.79 0.05 -1.55 1.11 1.13 -0.63 -1.08 117.38 113.63 3d52 n GLN 469 Ca -0.00 0.21 -0.39 0.00 -1.94 0.00 0.00 57.00 54.87 3d52 n GLN 469 Cb 0.18 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.06 3d52 n GLN 469 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 3d52 n HIS 470 N -1.45 0.27 0.96 1.08 -0.00 -0.50 -0.65 115.22 114.94 3d52 n HIS 470 Ca 0.05 0.49 0.02 0.00 -0.00 0.00 0.00 57.72 58.28 3d52 n HIS 470 Cb 0.17 -2.09 0.14 0.00 -0.00 0.00 0.00 29.99 28.21 3d52 n HIS 470 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 3d52 n HIS 471 N -1.25 0.00 -0.41 1.57 1.44 -1.18 -0.62 115.22 114.77 3d52 n HIS 471 Ca 0.12 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.85 3d52 n HIS 471 Cb 0.44 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.58 3d52 n HIS 471 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3d52 n ASP 472 N -0.65 1.81 0.00 4.39 8.00 -1.26 -4.65 116.55 124.19 3d52 n ASP 472 Ca 0.03 -2.15 0.00 0.00 0.71 0.00 0.00 54.79 53.39 3d52 n ASP 472 Cb 0.02 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 3d52 n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d52 n GLY 473 N -0.65 -0.02 0.33 0.44 0.00 0.21 -3.42 105.19 102.08 3d52 n GLY 473 Ca 0.04 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.23 3d52 n GLY 473 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3d52 h ILE 474 N 0.00 0.43 0.00 -0.61 2.10 -1.12 0.81 117.51 119.13 3d52 h ILE 474 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3d52 h ILE 474 Cb 0.00 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 36.59 3d52 h ILE 474 CO 0.00 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 177.78 3d52 h THR 475 N 0.00 0.00 -2.10 2.19 1.35 -1.83 -3.43 112.91 109.10 3d52 h THR 475 Ca 0.07 -0.39 -0.19 0.00 -0.55 0.00 0.00 66.41 65.35 3d52 h THR 475 Cb 0.40 1.39 0.02 0.00 -1.73 0.00 0.00 68.15 68.23 3d52 h THR 475 CO -0.00 0.00 -0.27 0.61 -0.25 0.00 0.00 175.52 175.61 3d52 n GLY 476 N -0.22 0.10 0.61 5.82 0.00 0.28 -4.43 105.19 107.35 3d52 n GLY 476 Ca -0.00 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.69 3d52 n GLY 476 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d52 n THR 477 N -3.86 2.18 -3.43 2.61 -2.24 -1.26 -4.58 114.28 103.70 3d52 n THR 477 Ca -0.07 -2.25 -0.19 0.00 -2.27 0.00 0.00 64.05 59.27 3d52 n THR 477 Cb 0.56 -0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 68.53 3d52 n THR 477 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d52 s ALA 478 N -2.94 4.22 0.67 6.98 0.00 -1.22 -4.91 121.76 124.55 3d52 s ALA 478 Ca 0.39 -1.44 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 3d52 s ALA 478 Cb 0.33 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.76 3d52 s ALA 478 CO 0.04 -0.06 1.15 0.15 0.00 0.00 0.00 175.76 177.04 3d52 s LYS 479 N -4.20 2.61 0.24 0.00 1.02 -0.14 -4.71 119.74 114.58 3d52 s LYS 479 Ca 0.45 1.56 -0.10 0.00 0.02 0.00 0.00 55.97 57.90 3d52 s LYS 479 Cb -0.10 -1.91 0.37 0.00 -0.52 0.00 0.00 37.83 35.67 3d52 s LYS 479 CO 0.31 -1.43 1.61 1.15 -0.92 0.00 0.00 175.35 176.08 3d52 h THR 480 N 0.04 0.23 0.00 2.17 2.02 -1.94 0.72 112.91 116.16 3d52 h THR 480 Ca -0.47 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 3d52 h THR 480 Cb 1.27 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3d52 h THR 480 CO 0.53 0.00 -0.17 1.12 0.37 0.00 0.00 175.52 177.37 3d52 h HIS 481 N 0.02 0.00 0.03 3.16 2.07 -1.96 -1.59 115.15 116.88 3d52 h HIS 481 Ca 0.39 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.66 3d52 h HIS 481 Cb 0.64 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.64 3d52 h HIS 481 CO -0.57 0.17 -1.01 0.28 -3.07 0.00 0.00 177.93 173.73 3d52 h VAL 482 N 0.00 1.31 -0.67 6.12 2.07 -1.24 -2.01 116.25 121.82 3d52 h VAL 482 Ca -0.00 -2.27 0.05 0.00 0.82 0.00 0.00 66.70 65.29 3d52 h VAL 482 Cb 0.69 2.51 -0.05 0.00 -1.52 0.00 0.00 31.29 32.93 3d52 h VAL 482 CO 0.02 0.69 0.40 0.58 0.02 0.00 0.00 177.57 179.28 3d52 h VAL 483 N 0.26 1.02 -0.83 2.57 2.07 -0.77 -0.73 116.25 119.85 3d52 h VAL 483 Ca -0.14 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3d52 h VAL 483 Cb 1.68 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 3d52 h VAL 483 CO 0.20 0.14 0.53 0.58 0.02 0.00 0.00 177.57 179.03 3d52 h VAL 484 N 0.75 1.22 -0.43 2.57 2.07 -1.23 -0.46 116.25 120.74 3d52 h VAL 484 Ca 0.29 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.38 3d52 h VAL 484 Cb 0.12 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.89 3d52 h VAL 484 CO -0.15 0.22 0.26 -0.78 0.02 0.00 0.00 177.57 177.14 3d52 h ASP 485 N 1.13 0.44 -0.45 0.57 3.58 -0.56 -0.00 116.42 121.12 3d52 h ASP 485 Ca 0.30 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 3d52 h ASP 485 Cb -0.09 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 3d52 h ASP 485 CO -0.06 0.31 0.25 1.88 -2.88 0.00 0.00 179.24 178.74 3d52 h TYR 486 N 0.53 0.61 -0.33 0.28 0.05 -0.72 -0.90 116.97 116.50 3d52 h TYR 486 Ca 0.17 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.96 3d52 h TYR 486 Cb -0.02 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.50 3d52 h TYR 486 CO -0.06 0.46 0.14 1.49 -1.05 0.00 0.00 178.16 179.13 3d52 h GLU 487 N 0.59 0.29 -0.67 4.88 4.81 -0.74 -0.69 114.58 123.04 3d52 h GLU 487 Ca 0.16 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3d52 h GLU 487 Cb 0.05 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3d52 h GLU 487 CO -0.03 0.19 0.30 1.96 -0.73 0.00 0.00 179.01 180.71 3d52 h GLN 488 N 0.29 0.97 -0.55 1.92 4.20 -0.80 0.43 115.11 121.58 3d52 h GLN 488 Ca 0.14 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3d52 h GLN 488 Cb 0.08 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 3d52 h GLN 488 CO -0.12 0.79 0.31 0.00 -0.67 0.00 0.00 178.83 179.13 3d52 h ARG 489 N 0.93 0.75 -0.21 1.46 3.08 -0.90 -1.24 114.38 118.25 3d52 h ARG 489 Ca 0.23 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 3d52 h ARG 489 Cb 0.15 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3d52 h ARG 489 CO -0.03 0.57 -0.26 0.52 -1.07 0.00 0.00 179.97 179.71 3d52 h MET 490 N 0.73 0.40 -0.49 0.04 2.86 -0.65 -0.22 114.93 117.61 3d52 h MET 490 Ca 0.19 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 3d52 h MET 490 Cb 0.03 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3d52 h MET 490 CO -0.03 0.63 0.23 0.37 1.06 0.00 0.00 176.91 179.18 3d52 h GLN 491 N 0.36 0.70 -0.83 1.72 5.75 -0.59 -0.12 115.11 122.11 3d52 h GLN 491 Ca 0.05 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 3d52 h GLN 491 Cb 0.64 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 29.03 3d52 h GLN 491 CO 0.05 0.59 0.37 0.93 -2.65 0.00 0.00 178.83 178.12 3d52 h GLU 492 N 0.64 1.21 -0.83 1.69 4.39 -0.84 -1.55 114.58 119.28 3d52 h GLU 492 Ca 0.17 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3d52 h GLU 492 Cb 0.12 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 3d52 h GLU 492 CO -0.02 0.94 0.43 0.00 -1.16 0.00 0.00 179.01 179.20 3d52 h ALA 493 N 1.22 1.07 -0.61 3.43 0.00 -0.46 -1.03 119.26 122.88 3d52 h ALA 493 Ca 0.28 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3d52 h ALA 493 Cb 0.15 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3d52 h ALA 493 CO -0.03 0.61 0.27 -0.07 0.00 0.00 0.00 179.25 180.03 3d52 h LEU 494 N 1.17 0.82 -0.79 0.00 3.38 -0.68 -0.80 115.31 118.41 3d52 h LEU 494 Ca 0.29 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3d52 h LEU 494 Cb 0.07 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3d52 h LEU 494 CO -0.04 0.74 0.52 0.11 0.09 0.00 0.00 178.44 179.86 3d52 h LYS 495 N 0.85 1.01 -0.44 1.13 1.57 -0.92 0.29 116.57 120.05 3d52 h LYS 495 Ca 0.21 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3d52 h LYS 495 Cb 0.16 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3d52 h LYS 495 CO -0.02 0.67 0.23 0.00 -0.57 0.00 0.00 179.45 179.75 3d52 h ALA 496 N 1.31 0.56 -0.43 3.86 0.00 -0.81 -1.14 119.26 122.61 3d52 h ALA 496 Ca 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3d52 h ALA 496 Cb -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3d52 h ALA 496 CO -0.08 0.09 0.28 0.00 0.00 0.00 0.00 179.25 179.54 3d52 h GLN 498 N 0.58 0.61 -0.29 0.00 4.15 -0.65 0.31 115.11 119.83 3d52 h GLN 498 Ca 0.16 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3d52 h GLN 498 Cb -0.05 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 3d52 h GLN 498 CO -0.03 0.40 0.19 1.98 -1.93 0.00 0.00 178.83 179.44 3d52 h MET 499 N 0.63 0.38 -0.39 1.69 4.05 -0.91 -0.15 114.93 120.24 3d52 h MET 499 Ca 0.25 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.60 3d52 h MET 499 Cb 0.11 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 3d52 h MET 499 CO -0.14 0.25 0.04 0.28 0.23 0.00 0.00 176.91 177.56 3d52 h VAL 500 N 0.39 1.25 -0.26 -5.77 2.07 -1.05 -2.60 116.25 110.28 3d52 h VAL 500 Ca 0.11 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3d52 h VAL 500 Cb -0.04 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3d52 h VAL 500 CO -0.02 0.31 0.17 0.24 0.02 0.00 0.00 177.57 178.28 3d52 h MET 501 N 0.49 0.33 -0.09 1.57 2.07 -0.63 -1.30 114.93 117.37 3d52 h MET 501 Ca 0.11 -0.02 -0.17 0.00 -2.07 0.00 0.00 59.70 57.55 3d52 h MET 501 Cb 0.41 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 30.06 3d52 h MET 501 CO 0.01 0.22 -0.69 -0.56 1.07 0.00 0.00 176.91 176.96 3d52 h GLN 502 N 0.34 0.38 -0.55 1.72 -0.00 -0.98 -0.06 115.11 115.96 3d52 h GLN 502 Ca 0.10 -0.30 -0.06 0.00 -0.00 0.00 0.00 58.65 58.39 3d52 h GLN 502 Cb -0.03 0.06 -0.02 0.00 -0.00 0.00 0.00 27.48 27.48 3d52 h GLN 502 CO -0.03 0.93 0.09 1.96 -0.00 0.00 0.00 178.83 181.78 3d52 h GLN 503 N 0.27 0.88 -0.44 0.06 1.08 -1.35 -1.84 115.11 113.76 3d52 h GLN 503 Ca -0.02 -0.21 -0.09 0.00 -1.45 0.00 0.00 58.65 56.89 3d52 h GLN 503 Cb 1.24 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.54 3d52 h GLN 503 CO 0.12 0.82 -0.07 0.77 -0.95 0.00 0.00 178.83 179.51 3d52 h SER 504 N 0.83 0.82 -0.24 1.46 0.02 -0.74 -2.16 113.55 113.54 3d52 h SER 504 Ca 0.17 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3d52 h SER 504 Cb 0.37 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3d52 h SER 504 CO 0.01 0.97 0.12 0.58 -1.14 0.00 0.00 176.83 177.37 3d52 h VAL 505 N 0.65 1.13 -0.58 2.27 2.07 -0.83 -0.55 116.25 120.42 3d52 h VAL 505 Ca 0.12 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.34 3d52 h VAL 505 Cb 0.59 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 3d52 h VAL 505 CO 0.04 0.13 0.26 0.22 0.02 0.00 0.00 177.57 178.23 3d52 h TYR 506 N 0.26 0.46 -0.54 1.57 3.20 -1.26 -1.96 116.97 118.70 3d52 h TYR 506 Ca 0.08 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 3d52 h TYR 506 Cb 0.10 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 3d52 h TYR 506 CO -0.03 0.18 -0.00 -0.09 -1.64 0.00 0.00 178.16 176.57 3d52 h ARG 507 N 0.48 0.92 0.00 1.82 2.43 -1.13 -2.91 114.38 115.99 3d52 h ARG 507 Ca 0.27 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3d52 h ARG 507 Cb 0.26 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3d52 h ARG 507 CO -0.23 0.91 0.00 -0.07 -1.51 0.00 0.00 179.97 179.07 3d52 h LEU 508 N 0.85 0.00 -2.92 3.80 3.38 -0.57 -3.27 115.31 116.59 3d52 h LEU 508 Ca 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3d52 h LEU 508 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3d52 h LEU 508 CO 0.03 0.00 -0.17 0.18 0.09 0.00 0.00 178.44 178.56 3d52 n LEU 509 N -2.72 2.20 -4.16 1.67 4.77 -0.79 -4.81 117.00 113.16 3d52 n LEU 509 Ca 0.04 -3.06 -0.27 0.00 -0.03 0.00 0.00 56.01 52.68 3d52 n LEU 509 Cb 0.44 -0.40 -0.16 0.00 -2.33 0.00 0.00 43.42 40.96 3d52 n LEU 509 CO 0.31 0.81 -0.52 -0.89 -1.33 0.00 0.00 177.39 175.77 3d52 s THR 510 N -2.64 1.57 0.07 -5.08 2.01 -1.10 -1.07 115.64 109.41 3d52 s THR 510 Ca 0.31 -0.79 -0.36 0.00 0.31 0.00 0.00 61.69 61.16 3d52 s THR 510 Cb 0.28 -1.35 -0.15 0.00 0.01 0.00 0.00 72.50 71.29 3d52 s THR 510 CO 0.00 0.45 1.52 1.17 -0.69 0.00 0.00 174.62 177.07 3d52 n LYS 511 N 3.16 1.67 -0.35 4.92 4.81 -0.61 -4.67 118.16 127.08 3d52 n LYS 511 Ca -0.18 0.60 0.12 0.00 -0.87 0.00 0.00 58.31 57.98 3d52 n LYS 511 Cb 0.53 -2.32 0.31 0.00 0.02 0.00 0.00 35.03 33.57 3d52 n LYS 511 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3d52 h PRO 512 N 5.75 0.77 0.00 1.64 0.11 -1.93 0.18 132.00 138.52 3d52 h PRO 512 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3d52 h PRO 512 Cb 1.29 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3d52 h PRO 512 CO 0.85 0.51 0.00 -1.13 -0.21 0.00 0.00 178.00 178.02 3d52 n SER 513 N -4.74 0.00 -0.07 -2.05 3.41 -1.26 -3.36 113.62 105.54 3d52 n SER 513 Ca 0.23 -0.22 -0.08 0.00 -0.26 0.00 0.00 58.87 58.55 3d52 n SER 513 Cb 0.55 -0.22 -0.10 0.00 -0.26 0.00 0.00 64.21 64.18 3d52 n SER 513 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3d52 n ILE 514 N -1.22 0.90 -1.46 -1.33 5.41 0.50 -5.00 119.36 117.17 3d52 n ILE 514 Ca 0.13 -0.51 -0.57 0.00 1.00 0.00 0.00 62.75 62.81 3d52 n ILE 514 Cb 0.16 -0.76 -0.09 0.00 -0.71 0.00 0.00 39.64 38.25 3d52 n ILE 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3d52 n TYR 515 N -2.60 1.55 -3.42 1.39 9.36 -0.38 -4.91 117.16 118.16 3d52 n TYR 515 Ca -0.23 0.57 -0.26 0.00 3.32 0.00 0.00 57.90 61.30 3d52 n TYR 515 Cb 0.90 -2.41 -0.09 0.00 -0.63 0.00 0.00 39.34 37.11 3d52 n TYR 515 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3d52 n SER 516 N 7.64 1.70 -4.78 2.98 2.88 -1.26 -5.05 113.62 117.74 3d52 n SER 516 Ca 0.42 -2.97 -0.37 0.00 -1.33 0.00 0.00 58.87 54.63 3d52 n SER 516 Cb 0.09 -0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 62.87 3d52 n SER 516 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3d52 s PRO 517 N -1.44 4.06 -0.17 -1.46 0.04 -1.26 -5.02 135.00 129.74 3d52 s PRO 517 Ca 0.35 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 62.98 3d52 s PRO 517 Cb 0.11 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 3d52 s PRO 517 CO -0.10 -0.26 -0.10 0.34 0.04 0.00 0.00 177.00 176.92 3d52 s ASP 518 N -1.47 4.03 0.00 6.66 -1.08 -1.26 -5.04 116.67 118.51 3d52 s ASP 518 Ca 0.59 -0.39 0.24 0.00 -0.52 0.00 0.00 52.55 52.47 3d52 s ASP 518 Cb -0.24 -1.65 1.33 0.00 -1.46 0.00 0.00 42.92 40.90 3d52 s ASP 518 CO 0.30 0.07 1.79 0.49 0.52 0.00 0.00 175.17 178.35 3d52 n PHE 519 N 4.18 0.00 0.36 -5.34 3.72 -1.26 -2.09 117.46 117.03 3d52 n PHE 519 Ca -0.18 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.30 3d52 n PHE 519 Cb 0.52 -0.12 0.13 0.00 -0.94 0.00 0.00 39.48 39.06 3d52 n PHE 519 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3d52 n SER 520 N -1.12 2.78 -4.92 4.37 3.41 -1.26 -4.97 113.62 111.90 3d52 n SER 520 Ca 0.15 -1.81 -0.27 0.00 -0.26 0.00 0.00 58.87 56.67 3d52 n SER 520 Cb 0.13 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3d52 n SER 520 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3d52 s PHE 521 N -1.27 3.46 -0.59 7.33 5.36 -0.89 -5.06 117.98 126.32 3d52 s PHE 521 Ca 0.25 0.14 -0.16 0.00 -0.96 0.00 0.00 56.93 56.20 3d52 s PHE 521 Cb 0.16 -1.68 0.14 0.00 -0.34 0.00 0.00 43.02 41.30 3d52 s PHE 521 CO 0.22 0.53 0.56 -1.12 -1.46 0.00 0.00 175.22 173.95 3d52 s SER 522 N -3.02 6.28 0.09 6.13 0.01 -1.26 -4.89 113.70 117.03 3d52 s SER 522 Ca 0.34 -1.91 -0.08 0.00 1.31 0.00 0.00 55.95 55.61 3d52 s SER 522 Cb -0.11 -2.22 -0.22 0.00 0.21 0.00 0.00 66.02 63.68 3d52 s SER 522 CO 0.28 -0.83 1.18 1.88 0.41 0.00 0.00 173.24 176.16 3d52 h TYR 523 N 8.73 0.73 -3.95 2.43 0.05 -1.95 -3.43 116.97 119.58 3d52 h TYR 523 Ca -0.23 -0.46 -0.26 0.00 0.05 0.00 0.00 58.73 57.82 3d52 h TYR 523 Cb 1.09 -0.06 -0.20 0.00 1.01 0.00 0.00 36.73 38.57 3d52 h TYR 523 CO 0.79 1.31 -0.73 -0.06 -1.05 0.00 0.00 178.16 178.42 3d52 s PHE 524 N -2.98 0.69 0.02 4.88 0.40 -1.26 -0.24 117.98 119.49 3d52 s PHE 524 Ca -0.07 -0.56 0.04 0.00 -0.60 0.00 0.00 56.93 55.74 3d52 s PHE 524 Cb 0.07 -0.41 -0.03 0.00 0.51 0.00 0.00 43.02 43.15 3d52 s PHE 524 CO 0.90 -0.10 -0.07 0.95 0.70 0.00 0.00 175.22 177.60 3d52 s THR 525 N -1.70 3.62 0.32 0.64 -4.23 -0.53 -4.87 115.64 108.89 3d52 s THR 525 Ca -0.07 -0.86 -0.28 0.00 -1.18 0.00 0.00 61.69 59.30 3d52 s THR 525 Cb -0.08 -2.60 -0.09 0.00 1.34 0.00 0.00 72.50 71.07 3d52 s THR 525 CO -0.00 0.34 1.11 -0.76 -0.54 0.00 0.00 174.62 174.76 3d52 s LEU 526 N -1.57 4.43 -0.15 4.79 1.43 -1.26 -0.70 118.68 125.64 3d52 s LEU 526 Ca 0.18 2.26 0.02 0.00 -1.03 0.00 0.00 54.13 55.56 3d52 s LEU 526 Cb -0.11 -3.78 0.02 0.00 0.03 0.00 0.00 46.19 42.34 3d52 s LEU 526 CO 0.09 -0.29 -0.20 -0.62 0.23 0.00 0.00 176.35 175.56 3d52 s ASP 527 N -1.02 3.01 -0.14 2.29 2.15 -0.28 -4.89 116.67 117.79 3d52 s ASP 527 Ca 0.49 -0.59 -0.01 0.00 0.43 0.00 0.00 52.55 52.87 3d52 s ASP 527 Cb -0.30 -1.39 0.03 0.00 -0.30 0.00 0.00 42.92 40.96 3d52 s ASP 527 CO 0.39 0.03 -0.06 -0.62 -0.17 0.00 0.00 175.17 174.74 3d52 s ASP 528 N 1.09 2.49 0.17 -0.34 -1.08 -1.26 -4.07 116.67 113.66 3d52 s ASP 528 Ca -0.01 -0.48 0.25 0.00 -0.52 0.00 0.00 52.55 51.79 3d52 s ASP 528 Cb -0.14 -0.86 0.91 0.00 -1.46 0.00 0.00 42.92 41.37 3d52 s ASP 528 CO -0.07 -0.16 1.76 -1.20 0.52 0.00 0.00 175.17 176.02 3d52 n SER 529 N 4.92 0.56 0.00 -0.34 7.64 -1.26 -4.05 113.62 121.08 3d52 n SER 529 Ca -0.12 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.34 3d52 n SER 529 Cb 0.49 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 3d52 n SER 529 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3d52 n ARG 530 N -2.05 1.69 -3.69 1.43 1.74 -1.26 -4.40 116.66 110.12 3d52 n ARG 530 Ca 0.05 -1.06 -0.10 0.00 -0.77 0.00 0.00 57.85 55.97 3d52 n ARG 530 Cb 0.34 -0.81 -0.10 0.00 -1.02 0.00 0.00 32.46 30.87 3d52 n ARG 530 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3d52 s TRP 531 N -0.58 -0.67 0.06 -1.55 -0.11 -1.26 -4.15 118.94 110.68 3d52 s TRP 531 Ca 0.00 1.41 0.31 0.00 1.22 0.00 0.00 56.10 59.04 3d52 s TRP 531 Cb 0.00 0.32 1.54 0.00 -1.50 0.00 0.00 33.47 33.83 3d52 s TRP 531 CO 0.00 -0.37 1.95 -1.35 -4.62 0.00 0.00 176.95 172.56 3d52 h PRO 532 N 7.14 0.00 0.00 5.86 0.11 -1.88 -3.43 132.00 139.80 3d52 h PRO 532 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3d52 h PRO 532 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3d52 h PRO 532 CO 0.27 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.47 3d52 n GLY 533 N -0.64 2.38 3.65 -0.55 0.00 -1.26 -4.30 105.19 104.47 3d52 n GLY 533 Ca -0.01 -1.78 -0.50 0.00 0.00 0.00 0.00 46.02 43.73 3d52 n GLY 533 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3d52 n SER 534 N 0.00 2.52 0.00 1.61 2.88 -1.26 -0.64 113.62 118.73 3d52 n SER 534 Ca 0.00 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 3d52 n SER 534 Cb 0.00 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.17 3d52 n SER 534 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d52 n GLY 535 N 3.38 1.99 0.13 0.46 0.00 -1.26 -4.82 105.19 105.07 3d52 n GLY 535 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 3d52 n GLY 535 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3d52 n VAL 536 N -2.00 1.53 -3.67 1.61 0.31 0.19 -5.00 118.33 111.31 3d52 n VAL 536 Ca 0.00 -0.45 -0.12 0.00 -0.01 0.00 0.00 64.34 63.76 3d52 n VAL 536 Cb 0.00 -1.70 -0.08 0.00 -0.91 0.00 0.00 33.84 31.15 3d52 n VAL 536 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3d52 s GLU 537 N -2.51 0.67 -1.35 5.55 2.12 -0.99 -4.99 118.70 117.20 3d52 s GLU 537 Ca -0.35 0.91 -0.12 0.00 0.36 0.00 0.00 54.97 55.77 3d52 s GLU 537 Cb 0.11 0.26 0.11 0.00 0.26 0.00 0.00 34.13 34.88 3d52 s GLU 537 CO 0.56 -0.11 1.99 -3.47 -0.54 0.00 0.00 175.26 173.70 3d52 n ASP 538 N 3.24 4.62 0.03 -1.70 -0.08 -1.26 -4.59 116.55 116.80 3d52 n ASP 538 Ca -0.16 -2.99 0.11 0.00 -1.51 0.00 0.00 54.79 50.24 3d52 n ASP 538 Cb 0.56 -1.56 -0.08 0.00 2.34 0.00 0.00 41.12 42.38 3d52 n ASP 538 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3d52 n SER 539 N 4.99 0.41 -4.76 1.67 3.41 -1.26 -4.97 113.62 113.11 3d52 n SER 539 Ca 0.45 -0.03 -0.40 0.00 -0.26 0.00 0.00 58.87 58.63 3d52 n SER 539 Cb 0.38 1.29 -0.06 0.00 -0.26 0.00 0.00 64.21 65.56 3d52 n SER 539 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3d52 s ARG 540 N -3.38 4.78 0.00 4.33 0.52 -1.26 -5.02 118.95 118.92 3d52 s ARG 540 Ca -0.03 1.41 -0.27 0.00 -0.52 0.00 0.00 55.73 56.32 3d52 s ARG 540 Cb 0.13 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 3d52 s ARG 540 CO 0.85 0.52 0.84 0.99 0.02 0.00 0.00 175.30 178.52 3d52 s THR 541 N -1.13 4.86 -0.04 0.02 2.01 -1.26 -5.04 115.64 115.05 3d52 s THR 541 Ca 0.40 1.76 -0.25 0.00 0.31 0.00 0.00 61.69 63.91 3d52 s THR 541 Cb -0.25 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 3d52 s THR 541 CO 0.30 0.25 0.77 -0.89 -0.69 0.00 0.00 174.62 174.36 3d52 s THR 542 N 0.60 4.98 -0.18 -0.82 2.01 -1.26 -4.47 115.64 116.50 3d52 s THR 542 Ca 0.44 1.59 -0.29 0.00 0.31 0.00 0.00 61.69 63.74 3d52 s THR 542 Cb -0.20 -4.11 -0.02 0.00 0.01 0.00 0.00 72.50 68.19 3d52 s THR 542 CO 0.24 0.24 1.37 -0.63 -0.69 0.00 0.00 174.62 175.15 3d52 s ILE 543 N 0.77 4.09 -0.29 1.82 1.01 0.53 -4.93 121.20 124.20 3d52 s ILE 543 Ca 0.41 1.29 -0.10 0.00 0.00 0.00 0.00 60.65 62.25 3d52 s ILE 543 Cb -0.19 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 3d52 s ILE 543 CO 0.21 -0.20 0.16 -0.63 0.00 0.00 0.00 174.94 174.48 3d52 s ILE 544 N 3.93 4.98 0.13 2.92 -1.09 -1.26 -1.32 121.20 129.49 3d52 s ILE 544 Ca 0.60 -0.04 0.05 0.00 -2.23 0.00 0.00 60.65 59.02 3d52 s ILE 544 Cb -0.23 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 3d52 s ILE 544 CO 0.20 0.21 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.24 3d52 s LEU 545 N 1.70 2.46 -0.27 2.97 1.43 -1.26 -4.89 118.68 120.83 3d52 s LEU 545 Ca 0.06 -0.90 -0.28 0.00 -1.03 0.00 0.00 54.13 51.98 3d52 s LEU 545 Cb -0.16 -0.43 0.18 0.00 0.03 0.00 0.00 46.19 45.81 3d52 s LEU 545 CO 0.09 -0.24 1.29 -0.83 0.23 0.00 0.00 176.35 176.89 3d52 s GLY 546 N -2.78 0.07 0.43 -3.19 0.00 -0.45 -4.80 107.32 96.59 3d52 s GLY 546 Ca 0.12 2.83 0.17 0.00 0.00 0.00 0.00 44.72 47.85 3d52 s GLY 546 CO 0.02 1.32 1.89 0.83 0.00 0.00 0.00 173.10 177.16 3d52 h GLU 547 N 2.52 0.38 -0.01 2.90 4.39 -1.95 -1.56 114.58 121.25 3d52 h GLU 547 Ca -0.15 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.52 3d52 h GLU 547 Cb 1.18 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3d52 h GLU 547 CO 0.22 0.25 -0.14 -0.25 -1.16 0.00 0.00 179.01 177.93 3d52 n ASP 548 N -4.48 1.31 0.06 1.42 8.00 -1.26 -4.71 116.55 116.89 3d52 n ASP 548 Ca 0.17 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.46 3d52 n ASP 548 Cb 0.62 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 3d52 n ASP 548 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3d52 n ILE 549 N -0.21 0.25 -3.15 0.53 -5.35 -0.67 -5.09 119.36 105.66 3d52 n ILE 549 Ca 0.15 0.08 0.04 0.00 -0.27 0.00 0.00 62.75 62.75 3d52 n ILE 549 Cb 0.36 -0.89 -0.01 0.00 -1.74 0.00 0.00 39.64 37.37 3d52 n ILE 549 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3d52 s LEU 550 N -6.25 -1.49 0.28 7.28 2.96 -0.69 -4.96 118.68 115.83 3d52 s LEU 550 Ca 0.00 0.56 0.12 0.00 -0.22 0.00 0.00 54.13 54.59 3d52 s LEU 550 Cb 0.00 2.10 0.38 0.00 0.50 0.00 0.00 46.19 49.17 3d52 s LEU 550 CO 0.00 -0.28 1.61 -0.65 -1.32 0.00 0.00 176.35 175.72 3d52 h PRO 551 N 8.00 0.00 -3.90 0.98 0.11 -1.90 -1.19 132.00 134.09 3d52 h PRO 551 Ca -0.13 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.88 3d52 h PRO 551 Cb 1.17 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 3d52 h PRO 551 CO 0.21 0.59 -0.40 -1.54 -0.21 0.00 0.00 178.00 176.64 3d52 s SER 552 N -6.74 0.14 -0.04 -2.05 1.04 -1.26 -0.94 113.70 103.86 3d52 s SER 552 Ca -0.01 -0.77 -0.02 0.00 0.48 0.00 0.00 55.95 55.64 3d52 s SER 552 Cb 0.12 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.62 3d52 s SER 552 CO 0.75 -0.76 0.09 -0.75 0.98 0.00 0.00 173.24 173.55 3d52 s LYS 553 N -3.90 0.04 0.20 4.02 2.47 0.13 -4.97 119.74 117.72 3d52 s LYS 553 Ca 0.09 0.27 -0.28 0.00 -1.56 0.00 0.00 55.97 54.49 3d52 s LYS 553 Cb 0.05 -0.18 -0.08 0.00 -1.46 0.00 0.00 37.83 36.16 3d52 s LYS 553 CO -0.08 -0.15 0.87 -1.01 0.16 0.00 0.00 175.35 175.15 3d52 s HIS 554 N 1.00 3.94 0.11 4.03 3.76 -1.26 -0.87 115.29 125.99 3d52 s HIS 554 Ca -0.08 1.79 0.05 0.00 -0.15 0.00 0.00 55.06 56.67 3d52 s HIS 554 Cb -0.11 -2.90 -0.04 0.00 1.11 0.00 0.00 32.58 30.65 3d52 s HIS 554 CO -0.04 0.46 -0.14 0.14 -0.85 0.00 0.00 174.74 174.31 3d52 s VAL 555 N -1.04 1.23 -0.02 -0.90 -7.23 -0.21 -1.70 120.40 110.52 3d52 s VAL 555 Ca 0.39 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 58.97 3d52 s VAL 555 Cb -0.25 -1.40 0.01 0.00 0.56 0.00 0.00 36.38 35.31 3d52 s VAL 555 CO 0.29 -0.39 -0.04 -0.69 -0.31 0.00 0.00 175.10 173.96 3d52 s VAL 556 N -1.97 0.45 -0.05 1.32 1.01 0.07 -0.73 120.40 120.50 3d52 s VAL 556 Ca 0.06 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3d52 s VAL 556 Cb -0.06 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 3d52 s VAL 556 CO 0.02 0.17 -0.08 -0.04 0.00 0.00 0.00 175.10 175.17 3d52 s MET 557 N 0.47 2.66 -0.07 2.72 -1.94 -0.19 -0.21 119.30 122.74 3d52 s MET 557 Ca -0.06 -0.61 0.01 0.00 -1.71 0.00 0.00 55.69 53.33 3d52 s MET 557 Cb -0.09 -2.53 -0.03 0.00 2.01 0.00 0.00 34.83 34.19 3d52 s MET 557 CO -0.00 0.65 -0.09 -1.58 -0.01 0.00 0.00 175.02 173.98 3d52 s HIS 558 N -0.83 2.86 -0.30 -0.03 5.04 0.10 -1.00 115.29 121.13 3d52 s HIS 558 Ca 0.13 -0.08 0.03 0.00 -1.54 0.00 0.00 55.06 53.60 3d52 s HIS 558 Cb -0.11 -1.70 0.08 0.00 0.04 0.00 0.00 32.58 30.89 3d52 s HIS 558 CO 0.02 0.24 -0.03 1.21 -2.34 0.00 0.00 174.74 173.85 3d52 s ASN 559 N -0.68 4.56 0.30 9.88 2.47 -0.31 -1.05 114.94 130.11 3d52 s ASN 559 Ca 0.10 -1.74 0.26 0.00 0.42 0.00 0.00 52.86 51.90 3d52 s ASN 559 Cb -0.11 -1.55 0.92 0.00 -1.45 0.00 0.00 41.25 39.05 3d52 s ASN 559 CO 0.01 -0.28 1.76 0.00 -3.72 0.00 0.00 177.10 174.87 3d52 h THR 560 N 6.69 0.00 -3.85 -5.21 1.03 -1.86 -2.11 112.91 107.60 3d52 h THR 560 Ca -0.12 -0.43 -0.47 0.00 -0.01 0.00 0.00 66.41 65.38 3d52 h THR 560 Cb 1.03 1.31 -0.02 0.00 -1.07 0.00 0.00 68.15 69.40 3d52 h THR 560 CO 0.48 0.00 0.29 -0.76 -0.01 0.00 0.00 175.52 175.52 3d52 s LEU 561 N -4.90 4.25 -0.07 0.00 1.43 -1.26 -4.51 118.68 113.62 3d52 s LEU 561 Ca 0.06 1.71 -0.00 0.00 -1.03 0.00 0.00 54.13 54.87 3d52 s LEU 561 Cb 0.10 -4.04 0.05 0.00 0.03 0.00 0.00 46.19 42.33 3d52 s LEU 561 CO 0.51 -0.11 1.76 -0.81 0.23 0.00 0.00 176.35 177.93 3d52 n PRO 562 N 0.32 1.17 -4.05 1.29 -0.04 -1.26 -1.14 135.00 131.29 3d52 n PRO 562 Ca 0.02 -0.34 -0.08 0.00 -0.04 0.00 0.00 63.50 63.06 3d52 n PRO 562 Cb 0.51 -1.13 -0.10 0.00 -0.04 0.00 0.00 33.50 32.74 3d52 n PRO 562 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3d52 s HIS 563 N -0.39 0.44 0.32 0.54 -3.43 -1.26 -0.09 115.29 111.42 3d52 s HIS 563 Ca 0.07 -0.93 -0.29 0.00 -0.80 0.00 0.00 55.06 53.11 3d52 s HIS 563 Cb 0.05 -0.32 -0.12 0.00 -1.43 0.00 0.00 32.58 30.76 3d52 s HIS 563 CO 0.00 -0.37 1.39 0.91 -2.00 0.00 0.00 174.74 174.67 3d52 n TRP 564 N 0.31 2.47 -4.04 0.38 7.02 -1.26 -3.97 117.44 118.35 3d52 n TRP 564 Ca -0.16 0.47 -0.15 0.00 -1.02 0.00 0.00 57.50 56.65 3d52 n TRP 564 Cb 0.60 -2.47 -0.14 0.00 -2.42 0.00 0.00 31.31 26.88 3d52 n TRP 564 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3d52 s ARG 565 N -1.46 0.27 -0.07 -0.99 3.52 -0.56 -4.96 118.95 114.71 3d52 s ARG 565 Ca 0.58 -0.10 0.02 0.00 -0.13 0.00 0.00 55.73 56.10 3d52 s ARG 565 Cb -0.56 -0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 32.53 3d52 s ARG 565 CO 0.58 0.05 -0.11 -1.21 -0.81 0.00 0.00 175.30 173.81 3d52 s GLU 566 N 0.03 2.72 -0.18 5.12 2.02 -1.26 -0.77 118.70 126.39 3d52 s GLU 566 Ca 0.00 -0.63 -0.16 0.00 0.02 0.00 0.00 54.97 54.20 3d52 s GLU 566 Cb -0.03 -2.51 0.05 0.00 0.10 0.00 0.00 34.13 31.74 3d52 s GLU 566 CO -0.00 0.59 0.47 -1.14 0.02 0.00 0.00 175.26 175.20 3d52 s GLN 567 N -0.63 0.54 0.18 1.61 0.74 -0.61 -4.98 119.66 116.51 3d52 s GLN 567 Ca 0.09 0.66 -0.30 0.00 0.05 0.00 0.00 55.36 55.86 3d52 s GLN 567 Cb -0.11 0.26 -0.09 0.00 1.10 0.00 0.00 33.01 34.17 3d52 s GLN 567 CO 0.01 -0.07 1.35 -0.51 -0.55 0.00 0.00 175.29 175.53 3d52 s LEU 568 N 0.29 4.40 0.21 3.68 1.43 -1.26 -1.05 118.68 126.38 3d52 s LEU 568 Ca -0.00 2.42 0.11 0.00 -1.03 0.00 0.00 54.13 55.63 3d52 s LEU 568 Cb -0.03 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 3d52 s LEU 568 CO 0.00 -0.59 -0.23 0.68 0.23 0.00 0.00 176.35 176.44 3d52 s VAL 569 N 0.40 2.35 0.07 -1.59 -7.23 0.06 -4.91 120.40 109.55 3d52 s VAL 569 Ca 0.59 -2.09 0.04 0.00 -1.81 0.00 0.00 61.98 58.72 3d52 s VAL 569 Cb -0.37 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 3d52 s VAL 569 CO 0.36 -0.17 -0.11 1.51 -0.31 0.00 0.00 175.10 176.39 3d52 s ASP 570 N -2.80 1.33 0.05 4.85 -4.77 -1.26 -1.57 116.67 112.51 3d52 s ASP 570 Ca 0.22 -0.63 0.02 0.00 -3.30 0.00 0.00 52.55 48.85 3d52 s ASP 570 Cb -0.07 -0.01 -0.03 0.00 -1.09 0.00 0.00 42.92 41.72 3d52 s ASP 570 CO 0.10 -0.16 -0.07 -0.36 0.70 0.00 0.00 175.17 175.39 3d52 s PHE 571 N -1.55 0.66 -0.01 2.11 0.40 -0.13 -4.93 117.98 114.54 3d52 s PHE 571 Ca -0.03 -0.63 -0.20 0.00 -0.60 0.00 0.00 56.93 55.46 3d52 s PHE 571 Cb -0.09 -0.40 -0.05 0.00 0.51 0.00 0.00 43.02 42.99 3d52 s PHE 571 CO 0.01 -0.13 0.59 0.71 0.70 0.00 0.00 175.22 177.10 3d52 s TYR 572 N -2.05 3.68 0.13 0.36 2.02 -1.26 -0.83 117.35 119.40 3d52 s TYR 572 Ca -0.05 1.18 0.04 0.00 -0.37 0.00 0.00 57.07 57.88 3d52 s TYR 572 Cb -0.05 -2.60 -0.04 0.00 -0.40 0.00 0.00 41.96 38.86 3d52 s TYR 572 CO -0.02 0.35 -0.10 0.14 -1.57 0.00 0.00 175.55 174.35 3d52 s VAL 573 N -0.17 1.13 -1.44 0.71 -7.23 0.45 -0.35 120.40 113.50 3d52 s VAL 573 Ca 0.31 -1.94 0.29 0.00 -1.81 0.00 0.00 61.98 58.83 3d52 s VAL 573 Cb -0.18 -1.71 0.41 0.00 0.56 0.00 0.00 36.38 35.45 3d52 s VAL 573 CO 0.17 -0.68 1.88 -1.54 -0.31 0.00 0.00 175.10 174.62 3d52 n SER 574 N 0.04 0.28 -3.97 4.85 3.41 -0.44 -0.80 113.62 117.00 3d52 n SER 574 Ca -0.12 -0.28 -0.09 0.00 -0.26 0.00 0.00 58.87 58.11 3d52 n SER 574 Cb 0.60 -0.16 -0.11 0.00 -0.26 0.00 0.00 64.21 64.28 3d52 n SER 574 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3d52 s SER 575 N -2.62 0.22 0.00 4.04 0.15 -1.26 -4.74 113.70 109.49 3d52 s SER 575 Ca 0.25 -0.47 0.29 0.00 0.70 0.00 0.00 55.95 56.73 3d52 s SER 575 Cb 0.20 0.10 1.35 0.00 -1.71 0.00 0.00 66.02 65.96 3d52 s SER 575 CO 0.50 -0.29 1.95 -0.81 1.20 0.00 0.00 173.24 175.78 3d52 n PRO 576 N 1.64 0.42 -3.08 5.44 -0.04 -1.26 -4.43 135.00 133.68 3d52 n PRO 576 Ca -0.24 -0.07 -0.43 0.00 -0.04 0.00 0.00 63.50 62.73 3d52 n PRO 576 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3d52 n PRO 576 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3d52 n PHE 577 N -1.24 2.83 -4.81 0.54 3.72 -1.26 -4.92 117.46 112.32 3d52 n PHE 577 Ca 0.13 -2.88 -0.25 0.00 -0.05 0.00 0.00 57.45 54.40 3d52 n PHE 577 Cb 0.27 -1.30 -0.16 0.00 -0.94 0.00 0.00 39.48 37.35 3d52 n PHE 577 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3d52 s VAL 578 N -2.53 1.38 0.07 -4.37 1.01 -1.26 -0.53 120.40 114.17 3d52 s VAL 578 Ca 0.31 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.64 3d52 s VAL 578 Cb 0.03 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3d52 s VAL 578 CO 0.07 0.40 -0.03 -0.94 0.00 0.00 0.00 175.10 174.60 3d52 s SER 579 N -0.07 4.85 -0.05 3.32 1.04 0.26 -4.79 113.70 118.27 3d52 s SER 579 Ca -0.01 -0.19 0.05 0.00 0.48 0.00 0.00 55.95 56.27 3d52 s SER 579 Cb -0.10 -1.13 -0.02 0.00 0.10 0.00 0.00 66.02 64.87 3d52 s SER 579 CO 0.01 0.20 -0.18 -0.69 0.98 0.00 0.00 173.24 173.57 3d52 s VAL 580 N -1.22 2.76 0.14 5.02 1.01 -1.26 -0.94 120.40 125.92 3d52 s VAL 580 Ca 0.23 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.40 3d52 s VAL 580 Cb -0.11 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3d52 s VAL 580 CO 0.15 0.58 -0.03 0.42 0.00 0.00 0.00 175.10 176.22 3d52 s THR 581 N -0.59 0.73 0.70 3.92 -4.23 -0.57 -1.07 115.64 114.53 3d52 s THR 581 Ca 0.09 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.60 3d52 s THR 581 Cb -0.11 -1.93 0.14 0.00 1.34 0.00 0.00 72.50 71.94 3d52 s THR 581 CO 0.01 -0.65 0.96 -0.90 -0.54 0.00 0.00 174.62 173.50 3d52 n ASP 582 N -0.16 1.06 -1.10 3.99 5.68 -0.64 -0.72 116.55 124.64 3d52 n ASP 582 Ca -0.09 -1.95 0.02 0.00 -0.50 0.00 0.00 54.79 52.28 3d52 n ASP 582 Cb 0.62 -0.64 0.17 0.00 -1.14 0.00 0.00 41.12 40.13 3d52 n ASP 582 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3d52 n LEU 583 N 0.00 3.06 -0.67 -2.12 0.00 -1.20 -0.95 117.00 115.12 3d52 n LEU 583 Ca 0.15 -1.55 0.06 0.00 0.00 0.00 0.00 56.01 54.67 3d52 n LEU 583 Cb 0.54 -0.58 0.16 0.00 0.00 0.00 0.00 43.42 43.54 3d52 n LEU 583 CO 0.37 0.42 0.64 0.00 0.00 0.00 0.00 177.39 178.82 3d52 n ALA 584 N 0.24 2.25 -1.52 1.96 0.00 -1.26 -4.84 120.51 117.35 3d52 n ALA 584 Ca 0.12 -1.25 -0.11 0.00 0.00 0.00 0.00 53.44 52.20 3d52 n ALA 584 Cb 0.66 -0.46 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 3d52 n ALA 584 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3d52 n ASN 585 N 0.43 -4.18 -4.71 0.00 5.15 -0.13 -4.98 115.26 106.84 3d52 n ASN 585 Ca 0.13 0.21 -0.42 0.00 -0.60 0.00 0.00 54.58 53.90 3d52 n ASN 585 Cb 0.47 -2.82 -0.03 0.00 -0.53 0.00 0.00 39.78 36.87 3d52 n ASN 585 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3d52 s ASN 586 N -2.80 7.25 0.49 1.20 0.01 -1.26 -4.79 114.94 115.04 3d52 s ASN 586 Ca 0.00 1.76 -0.24 0.00 -0.71 0.00 0.00 52.86 53.68 3d52 s ASN 586 Cb 0.00 -2.57 -0.07 0.00 0.41 0.00 0.00 41.25 39.02 3d52 s ASN 586 CO 0.00 -0.36 1.35 -2.65 -1.51 0.00 0.00 177.10 173.93 3d52 n PRO 587 N 4.10 1.90 -5.08 -0.60 -0.02 -1.26 -1.63 135.00 132.41 3d52 n PRO 587 Ca 0.07 0.69 -0.31 0.00 -2.02 0.00 0.00 63.50 61.93 3d52 n PRO 587 Cb 0.49 -2.54 -0.17 0.00 -0.02 0.00 0.00 33.50 31.27 3d52 n PRO 587 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3d52 s VAL 588 N -1.25 1.91 0.27 -1.45 1.01 -0.23 -4.85 120.40 115.81 3d52 s VAL 588 Ca 0.66 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 3d52 s VAL 588 Cb -0.45 -1.66 -0.11 0.00 0.00 0.00 0.00 36.38 34.16 3d52 s VAL 588 CO 0.54 0.53 1.58 -0.70 0.00 0.00 0.00 175.10 177.05 3d52 s GLU 589 N 0.42 4.15 0.13 2.72 2.12 -1.26 -4.31 118.70 122.68 3d52 s GLU 589 Ca -0.18 2.53 0.00 0.00 0.36 0.00 0.00 54.97 57.69 3d52 s GLU 589 Cb -0.17 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 3d52 s GLU 589 CO 0.07 -0.61 0.02 0.00 -0.54 0.00 0.00 175.26 174.20 3d52 s ALA 590 N 0.16 1.00 -0.03 6.30 0.00 -0.32 -4.32 121.76 124.55 3d52 s ALA 590 Ca 0.64 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 51.15 3d52 s ALA 590 Cb -0.47 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.29 3d52 s ALA 590 CO 0.45 -0.40 -0.08 -1.14 0.00 0.00 0.00 175.76 174.60 3d52 s GLN 591 N -3.97 0.94 -0.05 0.00 0.74 0.35 -0.95 119.66 116.72 3d52 s GLN 591 Ca 0.21 -0.25 -0.02 0.00 0.05 0.00 0.00 55.36 55.36 3d52 s GLN 591 Cb 0.07 -0.88 -0.04 0.00 1.10 0.00 0.00 33.01 33.26 3d52 s GLN 591 CO 0.01 0.05 0.05 0.08 -0.55 0.00 0.00 175.29 174.92 3d52 s VAL 592 N 0.40 4.59 0.06 1.34 1.01 0.51 -0.36 120.40 127.94 3d52 s VAL 592 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3d52 s VAL 592 Cb -0.10 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3d52 s VAL 592 CO 0.01 0.50 -0.05 -0.44 0.00 0.00 0.00 175.10 175.12 3d52 s SER 593 N -1.25 0.67 0.94 3.32 0.01 -0.34 -1.48 113.70 115.57 3d52 s SER 593 Ca 0.17 -0.86 -0.12 0.00 1.31 0.00 0.00 55.95 56.46 3d52 s SER 593 Cb -0.12 0.13 0.15 0.00 0.21 0.00 0.00 66.02 66.40 3d52 s SER 593 CO 0.07 -0.46 1.09 -2.84 0.41 0.00 0.00 173.24 171.51 3d52 s PRO 594 N -3.16 0.89 -0.43 12.44 0.02 -1.26 -0.79 135.00 142.71 3d52 s PRO 594 Ca 0.02 0.69 -0.18 0.00 0.02 0.00 0.00 61.00 61.55 3d52 s PRO 594 Cb 0.02 -1.78 0.03 0.00 0.02 0.00 0.00 34.50 32.79 3d52 s PRO 594 CO -0.06 -2.46 0.51 0.08 -0.33 0.00 0.00 177.00 174.74 3d52 s VAL 595 N -2.94 5.00 -0.17 3.83 1.01 -1.26 -4.49 120.40 121.38 3d52 s VAL 595 Ca 0.64 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.28 3d52 s VAL 595 Cb -0.18 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 3d52 s VAL 595 CO 0.57 -0.50 0.12 0.26 0.00 0.00 0.00 175.10 175.55 3d52 s TRP 596 N 2.35 3.43 0.19 5.22 0.52 -1.26 -0.84 118.94 128.55 3d52 s TRP 596 Ca 0.15 0.35 0.08 0.00 0.02 0.00 0.00 56.10 56.69 3d52 s TRP 596 Cb -0.17 -2.07 -0.05 0.00 -1.15 0.00 0.00 33.47 30.04 3d52 s TRP 596 CO 0.15 0.41 -0.15 -1.54 0.02 0.00 0.00 176.95 175.84 3d52 s SER 597 N -0.11 2.57 0.04 2.95 1.04 -0.21 -4.95 113.70 115.03 3d52 s SER 597 Ca 0.10 -0.98 0.08 0.00 0.48 0.00 0.00 55.95 55.63 3d52 s SER 597 Cb -0.12 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.84 3d52 s SER 597 CO 0.00 -0.14 -0.22 0.26 0.98 0.00 0.00 173.24 174.12 3d52 s TRP 598 N -2.76 2.46 -0.01 5.02 0.52 -1.26 0.15 118.94 123.06 3d52 s TRP 598 Ca 0.21 -0.32 -0.00 0.00 0.02 0.00 0.00 56.10 56.00 3d52 s TRP 598 Cb -0.02 -1.43 0.01 0.00 -1.15 0.00 0.00 33.47 30.88 3d52 s TRP 598 CO 0.07 0.21 0.02 -1.01 0.02 0.00 0.00 176.95 176.25 3d52 s HIS 599 N -0.88 0.00 -0.85 -1.98 3.76 -0.65 -4.98 115.29 109.71 3d52 s HIS 599 Ca 0.13 0.06 -0.23 0.00 -0.15 0.00 0.00 55.06 54.87 3d52 s HIS 599 Cb -0.10 -0.07 0.06 0.00 1.11 0.00 0.00 32.58 33.58 3d52 s HIS 599 CO 0.04 -0.03 1.24 -1.58 -0.85 0.00 0.00 174.74 173.56 3d52 s HIS 600 N 0.32 2.59 -1.12 1.40 2.46 -1.26 -1.91 115.29 117.77 3d52 s HIS 600 Ca -0.03 -0.64 -0.21 0.00 0.47 0.00 0.00 55.06 54.65 3d52 s HIS 600 Cb -0.04 -4.52 0.05 0.00 -0.13 0.00 0.00 32.58 27.94 3d52 s HIS 600 CO -0.01 -1.84 1.60 0.34 -2.47 0.00 0.00 174.74 172.36 3d52 s ASP 601 N 4.11 6.49 0.27 9.88 -1.08 -0.14 -4.84 116.67 131.36 3d52 s ASP 601 Ca 0.35 -1.78 0.14 0.00 -0.52 0.00 0.00 52.55 50.74 3d52 s ASP 601 Cb -0.07 -2.57 0.77 0.00 -1.46 0.00 0.00 42.92 39.59 3d52 s ASP 601 CO 0.02 -1.52 1.37 0.35 0.52 0.00 0.00 175.17 175.91 3d52 n THR 602 N 6.80 0.93 -0.01 1.71 -2.24 -1.26 -0.04 114.28 120.18 3d52 n THR 602 Ca 0.40 0.70 -0.19 0.00 -2.27 0.00 0.00 64.05 62.69 3d52 n THR 602 Cb 0.49 -1.70 -0.14 0.00 -2.10 0.00 0.00 70.33 66.88 3d52 n THR 602 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3d52 h LEU 603 N 0.00 0.28 -0.14 3.22 -0.00 -1.95 -3.38 115.31 113.33 3d52 h LEU 603 Ca 0.00 -0.90 0.00 0.00 -0.00 0.00 0.00 57.88 56.98 3d52 h LEU 603 Cb 0.31 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 3d52 h LEU 603 CO 0.00 1.35 -0.80 0.35 -0.00 0.00 0.00 178.44 179.34 3d52 n THR 604 N -4.24 0.00 -2.28 0.22 -2.24 -0.06 -4.98 114.28 100.71 3d52 n THR 604 Ca -0.17 -0.04 -0.15 0.00 -2.27 0.00 0.00 64.05 61.42 3d52 n THR 604 Cb 0.73 0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 69.80 3d52 n THR 604 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3d52 n LYS 605 N -1.28 -1.21 -4.44 -0.78 4.76 0.95 -5.01 118.16 111.14 3d52 n LYS 605 Ca 0.05 0.74 -0.25 0.00 -2.87 0.00 0.00 58.31 55.99 3d52 n LYS 605 Cb 0.35 -5.08 -0.10 0.00 -1.84 0.00 0.00 35.03 28.36 3d52 n LYS 605 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3d52 s THR 606 N -2.75 2.55 -0.33 -0.18 -4.23 -1.24 -4.98 115.64 104.48 3d52 s THR 606 Ca 0.00 -2.27 -0.11 0.00 -1.18 0.00 0.00 61.69 58.13 3d52 s THR 606 Cb 0.00 -2.32 -0.01 0.00 1.34 0.00 0.00 72.50 71.52 3d52 s THR 606 CO 0.00 -0.33 0.20 -0.63 -0.54 0.00 0.00 174.62 173.32 3d52 s ILE 607 N -2.29 4.93 0.08 2.99 1.01 -1.26 -0.97 121.20 125.68 3d52 s ILE 607 Ca 0.28 -0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.48 3d52 s ILE 607 Cb -0.06 -3.54 -0.00 0.00 0.01 0.00 0.00 42.46 38.87 3d52 s ILE 607 CO 0.14 0.00 0.19 -1.38 0.00 0.00 0.00 174.94 173.90 3d52 s HIS 608 N 1.66 0.14 0.44 3.97 -3.43 -0.80 -4.33 115.29 112.93 3d52 s HIS 608 Ca 0.05 -0.54 -0.06 0.00 -0.80 0.00 0.00 55.06 53.71 3d52 s HIS 608 Cb -0.17 -0.06 -0.05 0.00 -1.43 0.00 0.00 32.58 30.88 3d52 s HIS 608 CO 0.08 -0.53 0.75 -1.25 -2.00 0.00 0.00 174.74 171.80 3d52 s PRO 609 N -3.66 3.61 -0.01 -0.38 0.04 -1.26 -1.64 135.00 131.70 3d52 s PRO 609 Ca 0.03 0.23 0.02 0.00 0.04 0.00 0.00 61.00 61.33 3d52 s PRO 609 Cb 0.04 -2.42 -0.00 0.00 0.04 0.00 0.00 34.50 32.16 3d52 s PRO 609 CO -0.10 -0.11 -0.08 -0.65 0.04 0.00 0.00 177.00 176.10 3d52 s GLN 610 N -4.37 0.72 0.04 4.56 -1.52 0.12 -4.94 119.66 114.28 3d52 s GLN 610 Ca 0.48 -0.29 -0.05 0.00 -1.95 0.00 0.00 55.36 53.55 3d52 s GLN 610 Cb -0.10 -0.70 -0.05 0.00 -0.22 0.00 0.00 33.01 31.94 3d52 s GLN 610 CO 0.39 0.15 0.28 0.20 -0.25 0.00 0.00 175.29 176.06 3d52 s GLY 611 N -0.07 2.23 0.41 3.09 0.00 -1.26 -1.04 107.32 110.68 3d52 s GLY 611 Ca 0.01 -0.63 -0.24 0.00 0.00 0.00 0.00 44.72 43.87 3d52 s GLY 611 CO -0.00 -0.49 1.11 -0.45 0.00 0.00 0.00 173.10 173.26 3d52 s SER 612 N -1.99 6.59 0.00 1.64 0.15 -0.02 -4.84 113.70 115.22 3d52 s SER 612 Ca 0.31 2.18 0.14 0.00 0.70 0.00 0.00 55.95 59.29 3d52 s SER 612 Cb -0.13 -2.60 0.36 0.00 -1.71 0.00 0.00 66.02 61.94 3d52 s SER 612 CO 0.20 -0.62 1.28 0.35 1.20 0.00 0.00 173.24 175.65 3d52 n THR 613 N -0.08 0.85 0.00 6.45 -2.24 -1.26 -4.36 114.28 113.64 3d52 n THR 613 Ca 0.05 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 3d52 n THR 613 Cb 0.48 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 3d52 n THR 613 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3d52 n THR 614 N 0.84 0.00 -3.99 4.28 -2.24 -1.26 -4.27 114.28 107.63 3d52 n THR 614 Ca 0.14 -0.09 -0.08 0.00 -2.27 0.00 0.00 64.05 61.74 3d52 n THR 614 Cb 0.47 0.54 -0.08 0.00 -2.10 0.00 0.00 70.33 69.15 3d52 n THR 614 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3d52 s LYS 615 N -0.76 0.84 0.10 -0.78 -2.85 -1.26 -4.68 119.74 110.35 3d52 s LYS 615 Ca 0.00 -1.15 -0.01 0.00 -1.00 0.00 0.00 55.97 53.81 3d52 s LYS 615 Cb 0.00 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 3d52 s LYS 615 CO 0.00 -0.24 0.01 0.71 0.10 0.00 0.00 175.35 175.93 3d52 s TYR 616 N -3.93 0.73 -0.17 1.78 2.02 0.02 -4.11 117.35 113.69 3d52 s TYR 616 Ca 0.11 -1.14 -0.05 0.00 -0.37 0.00 0.00 57.07 55.61 3d52 s TYR 616 Cb 0.06 -0.45 -0.03 0.00 -0.40 0.00 0.00 41.96 41.14 3d52 s TYR 616 CO -0.07 -0.43 -0.00 1.03 -1.57 0.00 0.00 175.55 174.51 3d52 s ARG 617 N -3.98 3.74 -0.11 -0.62 0.52 0.03 -0.41 118.95 118.12 3d52 s ARG 617 Ca 0.16 -0.47 -0.01 0.00 -0.52 0.00 0.00 55.73 54.89 3d52 s ARG 617 Cb 0.08 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 3d52 s ARG 617 CO -0.04 0.20 -0.06 -1.50 0.02 0.00 0.00 175.30 173.92 3d52 s ILE 618 N 0.52 3.72 -0.03 1.52 2.07 -0.01 -1.20 121.20 127.79 3d52 s ILE 618 Ca -0.01 -0.44 0.04 0.00 -1.41 0.00 0.00 60.65 58.83 3d52 s ILE 618 Cb -0.14 -2.58 -0.00 0.00 0.13 0.00 0.00 42.46 39.87 3d52 s ILE 618 CO 0.02 0.55 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.81 3d52 s ILE 619 N -0.17 1.28 0.18 2.00 1.01 0.51 -0.95 121.20 125.07 3d52 s ILE 619 Ca 0.02 -0.65 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 3d52 s ILE 619 Cb -0.13 -1.10 0.05 0.00 0.01 0.00 0.00 42.46 41.29 3d52 s ILE 619 CO 0.03 0.37 0.57 0.72 0.00 0.00 0.00 174.94 176.63 3d52 s PHE 620 N -0.02 -0.32 -0.30 3.97 -0.71 -0.61 -0.49 117.98 119.50 3d52 s PHE 620 Ca -0.02 0.02 -0.23 0.00 -1.04 0.00 0.00 56.93 55.67 3d52 s PHE 620 Cb -0.10 0.49 -0.00 0.00 -1.21 0.00 0.00 43.02 42.20 3d52 s PHE 620 CO 0.01 -0.91 0.75 0.21 -1.34 0.00 0.00 175.22 173.94 3d52 s LYS 621 N -3.82 3.98 0.02 1.99 2.20 -1.26 -0.76 119.74 122.08 3d52 s LYS 621 Ca 0.05 0.55 -0.12 0.00 -0.36 0.00 0.00 55.97 56.09 3d52 s LYS 621 Cb -0.01 -3.72 -0.06 0.00 -1.51 0.00 0.00 37.83 32.53 3d52 s LYS 621 CO -0.07 -0.63 0.38 0.00 -0.36 0.00 0.00 175.35 174.67 3d52 s ALA 622 N 2.85 3.73 -0.15 3.13 0.00 -0.21 -4.91 121.76 126.20 3d52 s ALA 622 Ca 0.31 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.96 3d52 s ALA 622 Cb -0.14 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.69 3d52 s ALA 622 CO 0.12 0.53 -0.22 0.50 0.00 0.00 0.00 175.76 176.69 3d52 s ARG 623 N -1.38 3.02 -0.02 0.00 3.52 -1.26 -1.57 118.95 121.25 3d52 s ARG 623 Ca 0.26 -0.85 0.02 0.00 -0.13 0.00 0.00 55.73 55.04 3d52 s ARG 623 Cb -0.15 -2.46 0.00 0.00 -1.56 0.00 0.00 34.95 30.78 3d52 s ARG 623 CO 0.14 -0.05 -0.09 0.08 -0.81 0.00 0.00 175.30 174.57 3d52 s VAL 624 N 0.90 0.77 1.00 7.11 1.01 0.05 -4.78 120.40 126.47 3d52 s VAL 624 Ca -0.05 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 3d52 s VAL 624 Cb -0.15 -0.69 0.19 0.00 0.00 0.00 0.00 36.38 35.74 3d52 s VAL 624 CO -0.04 0.24 1.09 -2.84 0.00 0.00 0.00 175.10 173.55 3d52 s PRO 625 N 0.17 0.33 0.22 2.72 0.02 -1.26 -1.49 135.00 135.70 3d52 s PRO 625 Ca -0.03 1.12 -0.32 0.00 0.02 0.00 0.00 61.00 61.80 3d52 s PRO 625 Cb -0.08 -1.68 -0.12 0.00 0.02 0.00 0.00 34.50 32.64 3d52 s PRO 625 CO 0.00 -2.96 1.71 -2.14 -0.33 0.00 0.00 177.00 173.28 3d52 s PRO 626 N -4.64 4.12 -1.63 5.54 0.02 -1.25 -1.99 135.00 135.17 3d52 s PRO 626 Ca 0.67 2.61 -0.12 0.00 0.02 0.00 0.00 61.00 64.17 3d52 s PRO 626 Cb -0.23 -3.07 0.11 0.00 0.02 0.00 0.00 34.50 31.33 3d52 s PRO 626 CO 0.60 -0.74 0.57 -1.33 -0.33 0.00 0.00 177.00 175.77 3d52 n MET 627 N 3.84 -2.63 -2.20 5.54 2.81 -0.29 -4.76 117.12 119.42 3d52 n MET 627 Ca 0.15 0.32 -0.02 0.00 -1.81 0.00 0.00 57.70 56.34 3d52 n MET 627 Cb 0.35 -4.72 -0.01 0.00 -0.71 0.00 0.00 33.22 28.14 3d52 n MET 627 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d52 n GLY 628 N -1.66 3.95 3.06 3.03 0.00 -0.84 -4.83 105.19 107.90 3d52 n GLY 628 Ca -0.07 -1.73 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 3d52 n GLY 628 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d52 s LEU 629 N 0.00 2.21 -0.01 0.99 1.43 0.10 -1.17 118.68 122.23 3d52 s LEU 629 Ca 0.03 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3d52 s LEU 629 Cb 0.00 -0.24 0.01 0.00 0.03 0.00 0.00 46.19 45.99 3d52 s LEU 629 CO 0.02 -0.13 -0.01 0.00 0.23 0.00 0.00 176.35 176.46 3d52 s ALA 630 N -1.12 0.23 -0.15 4.21 0.00 -0.17 -1.16 121.76 123.60 3d52 s ALA 630 Ca -0.07 0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 3d52 s ALA 630 Cb -0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 3d52 s ALA 630 CO 0.00 0.00 0.06 0.99 0.00 0.00 0.00 175.76 176.82 3d52 s THR 631 N 0.36 4.83 0.29 0.00 2.01 -0.12 -1.02 115.64 121.98 3d52 s THR 631 Ca -0.03 -0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.01 3d52 s THR 631 Cb -0.06 -3.13 -0.06 0.00 0.01 0.00 0.00 72.50 69.26 3d52 s THR 631 CO -0.01 0.52 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.06 3d52 s TYR 632 N -0.14 2.06 -0.06 4.92 1.51 0.09 -3.27 117.35 122.46 3d52 s TYR 632 Ca 0.07 -0.64 0.03 0.00 -1.01 0.00 0.00 57.07 55.52 3d52 s TYR 632 Cb -0.12 -1.16 0.01 0.00 -0.11 0.00 0.00 41.96 40.57 3d52 s TYR 632 CO 0.01 0.36 -0.15 0.08 -1.11 0.00 0.00 175.55 174.75 3d52 s VAL 633 N -2.91 1.29 -0.17 0.71 1.01 0.10 -1.04 120.40 119.38 3d52 s VAL 633 Ca 0.30 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 3d52 s VAL 633 Cb 0.03 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3d52 s VAL 633 CO 0.13 0.38 0.08 -0.76 0.00 0.00 0.00 175.10 174.93 3d52 s LEU 634 N 0.36 3.93 -0.04 3.92 1.43 -0.05 -1.51 118.68 126.72 3d52 s LEU 634 Ca -0.10 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 3d52 s LEU 634 Cb -0.14 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.10 3d52 s LEU 634 CO 0.03 0.21 -0.12 -0.89 0.23 0.00 0.00 176.35 175.82 3d52 s THR 635 N 0.15 1.01 0.52 5.49 2.01 -0.12 -0.70 115.64 124.01 3d52 s THR 635 Ca 0.06 -0.47 -0.14 0.00 0.31 0.00 0.00 61.69 61.44 3d52 s THR 635 Cb -0.12 -0.90 -0.07 0.00 0.01 0.00 0.00 72.50 71.42 3d52 s THR 635 CO 0.00 0.31 0.96 -0.51 -0.69 0.00 0.00 174.62 174.69 3d52 s ILE 636 N 0.27 4.61 0.18 1.82 2.07 -0.11 -0.57 121.20 129.47 3d52 s ILE 636 Ca -0.06 1.05 -0.01 0.00 -1.41 0.00 0.00 60.65 60.22 3d52 s ILE 636 Cb -0.11 -3.75 -0.04 0.00 0.13 0.00 0.00 42.46 38.69 3d52 s ILE 636 CO 0.02 -0.75 0.11 -0.94 -1.91 0.00 0.00 174.94 171.47 3d52 s SER 637 N -3.31 0.20 0.07 4.50 1.04 0.31 -4.87 113.70 111.64 3d52 s SER 637 Ca 0.57 -1.30 0.26 0.00 0.48 0.00 0.00 55.95 55.95 3d52 s SER 637 Cb -0.10 0.36 0.64 0.00 0.10 0.00 0.00 66.02 67.02 3d52 s SER 637 CO 0.36 -0.81 1.54 -0.90 0.98 0.00 0.00 173.24 174.41 3d52 n ASP 638 N -0.21 0.51 -3.31 7.02 5.68 -1.26 -4.73 116.55 120.25 3d52 n ASP 638 Ca -0.01 0.14 -0.18 0.00 -0.50 0.00 0.00 54.79 54.24 3d52 n ASP 638 Cb 0.65 -0.08 -0.07 0.00 -1.14 0.00 0.00 41.12 40.48 3d52 n ASP 638 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3d52 s SER 639 N -3.63 1.47 0.03 -1.12 1.04 -1.26 -5.05 113.70 105.18 3d52 s SER 639 Ca 0.10 -1.69 -0.30 0.00 0.48 0.00 0.00 55.95 54.54 3d52 s SER 639 Cb 0.16 0.59 -0.09 0.00 0.10 0.00 0.00 66.02 66.78 3d52 s SER 639 CO 0.66 -1.14 1.98 -0.54 0.98 0.00 0.00 173.24 175.18 3d52 s LYS 640 N -3.31 4.12 0.70 4.02 1.02 -1.26 -4.81 119.74 120.21 3d52 s LYS 640 Ca 0.38 2.60 -0.15 0.00 0.02 0.00 0.00 55.97 58.82 3d52 s LYS 640 Cb 0.02 -4.17 0.02 0.00 -0.52 0.00 0.00 37.83 33.18 3d52 s LYS 640 CO 0.26 -0.99 1.16 -2.14 -0.92 0.00 0.00 175.35 172.72 3d52 s PRO 641 N 4.51 2.41 0.34 -1.68 0.02 -1.26 -4.94 135.00 134.40 3d52 s PRO 641 Ca 0.89 1.59 0.04 0.00 0.02 0.00 0.00 61.00 63.53 3d52 s PRO 641 Cb -0.42 -1.88 0.66 0.00 0.02 0.00 0.00 34.50 32.87 3d52 s PRO 641 CO 0.41 -1.59 1.96 1.49 -0.33 0.00 0.00 177.00 178.95 3d52 h GLU 642 N -0.18 0.83 -0.25 5.54 4.81 -1.97 -3.15 114.58 120.21 3d52 h GLU 642 Ca -0.47 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 3d52 h GLU 642 Cb 1.27 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 3d52 h GLU 642 CO 0.51 0.55 -0.01 0.72 -0.73 0.00 0.00 179.01 180.05 3d52 n HIS 643 N -4.47 0.86 -4.42 0.92 8.25 -1.26 -4.92 115.22 110.18 3d52 n HIS 643 Ca 0.10 -1.04 -0.31 0.00 -0.26 0.00 0.00 57.72 56.21 3d52 n HIS 643 Cb 0.17 -0.33 -0.16 0.00 1.12 0.00 0.00 29.99 30.78 3d52 n HIS 643 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3d52 s THR 644 N -2.92 1.87 0.38 1.59 2.01 -1.19 -1.18 115.64 116.19 3d52 s THR 644 Ca 0.41 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.64 3d52 s THR 644 Cb 0.35 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 3d52 s THR 644 CO 0.06 0.51 0.42 -0.94 -0.69 0.00 0.00 174.62 173.99 3d52 s SER 645 N 1.04 5.47 -0.06 3.53 1.04 -0.12 -4.61 113.70 119.99 3d52 s SER 645 Ca -0.03 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 55.97 3d52 s SER 645 Cb -0.14 -0.85 -0.00 0.00 0.10 0.00 0.00 66.02 65.12 3d52 s SER 645 CO -0.05 -0.55 -0.20 -0.31 0.98 0.00 0.00 173.24 173.11 3d52 s TYR 646 N -2.33 2.01 0.46 5.02 1.51 -1.26 -0.37 117.35 122.39 3d52 s TYR 646 Ca 0.47 -0.64 -0.23 0.00 -1.01 0.00 0.00 57.07 55.66 3d52 s TYR 646 Cb -0.07 -1.35 -0.08 0.00 -0.11 0.00 0.00 41.96 40.36 3d52 s TYR 646 CO 0.29 -0.23 1.14 0.00 -1.11 0.00 0.00 175.55 175.65 3d52 s ALA 647 N 0.09 2.97 0.45 3.71 0.00 -0.55 -4.90 121.76 123.53 3d52 s ALA 647 Ca -0.07 0.87 -0.09 0.00 0.00 0.00 0.00 51.96 52.67 3d52 s ALA 647 Cb -0.13 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 3d52 s ALA 647 CO 0.04 -0.58 0.80 -1.54 0.00 0.00 0.00 175.76 174.49 3d52 s SER 648 N -1.45 6.41 -0.02 0.00 1.04 0.09 -4.87 113.70 114.90 3d52 s SER 648 Ca 0.63 1.10 0.01 0.00 0.48 0.00 0.00 55.95 58.18 3d52 s SER 648 Cb -0.27 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.54 3d52 s SER 648 CO 0.32 -0.51 -0.05 0.20 0.98 0.00 0.00 173.24 174.19 3d52 s ASN 649 N -3.56 0.69 -0.06 7.02 0.01 -1.26 -1.24 114.94 116.54 3d52 s ASN 649 Ca 0.50 -0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.56 3d52 s ASN 649 Cb -0.10 -0.17 0.02 0.00 0.41 0.00 0.00 41.25 41.41 3d52 s ASN 649 CO 0.38 0.03 -0.05 -0.22 -1.51 0.00 0.00 177.10 175.73 3d52 s LEU 650 N 0.20 1.17 -0.33 0.60 2.96 0.94 -1.01 118.68 123.21 3d52 s LEU 650 Ca -0.02 -0.16 -0.06 0.00 -0.22 0.00 0.00 54.13 53.67 3d52 s LEU 650 Cb -0.06 -0.53 0.03 0.00 0.50 0.00 0.00 46.19 46.13 3d52 s LEU 650 CO -0.00 -0.09 0.09 -0.22 -1.32 0.00 0.00 176.35 174.82 3d52 s LEU 651 N 1.24 4.19 -0.34 -0.68 1.98 0.95 -0.10 118.68 125.91 3d52 s LEU 651 Ca -0.06 -1.04 -0.13 0.00 -2.89 0.00 0.00 54.13 50.01 3d52 s LEU 651 Cb -0.14 -1.87 -0.02 0.00 0.66 0.00 0.00 46.19 44.83 3d52 s LEU 651 CO -0.02 -0.29 0.24 -0.76 -1.89 0.00 0.00 176.35 173.63 3d52 s LEU 652 N 1.42 4.52 -0.22 -0.68 1.43 0.85 -1.95 118.68 124.05 3d52 s LEU 652 Ca -0.01 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 3d52 s LEU 652 Cb -0.19 -2.14 0.16 0.00 0.03 0.00 0.00 46.19 44.05 3d52 s LEU 652 CO 0.03 -0.23 1.15 0.00 0.23 0.00 0.00 176.35 177.53 3d52 s ARG 653 N 1.72 0.36 0.52 1.70 1.70 -0.38 -1.76 118.95 122.82 3d52 s ARG 653 Ca 0.06 0.10 -0.19 0.00 -0.47 0.00 0.00 55.73 55.23 3d52 s ARG 653 Cb -0.17 0.17 -0.07 0.00 -0.57 0.00 0.00 34.95 34.31 3d52 s ARG 653 CO 0.11 -0.11 1.06 0.15 -1.08 0.00 0.00 175.30 175.42 3d52 s LYS 654 N -1.03 3.61 -1.15 3.89 1.02 -1.26 -4.16 119.74 120.66 3d52 s LYS 654 Ca 0.03 1.37 -0.00 0.00 0.02 0.00 0.00 55.97 57.38 3d52 s LYS 654 Cb -0.01 -2.06 -0.00 0.00 -0.52 0.00 0.00 37.83 35.23 3d52 s LYS 654 CO -0.03 -0.59 0.96 -1.71 -0.92 0.00 0.00 175.35 173.06 3d52 n ASN 655 N -1.27 -2.27 -4.78 2.83 5.15 -1.26 -4.96 115.26 108.70 3d52 n ASN 655 Ca 0.10 -0.60 -0.34 0.00 -0.60 0.00 0.00 54.58 53.13 3d52 n ASN 655 Cb 0.52 -4.96 0.01 0.00 -0.53 0.00 0.00 39.78 34.82 3d52 n ASN 655 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3d52 s PRO 656 N -5.26 3.27 0.20 1.20 0.04 -1.26 -5.06 135.00 128.13 3d52 s PRO 656 Ca 0.02 1.51 0.08 0.00 0.04 0.00 0.00 61.00 62.65 3d52 s PRO 656 Cb -0.00 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 3d52 s PRO 656 CO 0.70 -0.89 -0.15 0.95 0.04 0.00 0.00 177.00 177.65 3d52 s THR 657 N -1.97 1.71 0.90 1.26 -4.23 -1.26 -5.14 115.64 106.91 3d52 s THR 657 Ca 0.70 -2.17 -0.10 0.00 -1.18 0.00 0.00 61.69 58.94 3d52 s THR 657 Cb -0.22 -2.00 0.13 0.00 1.34 0.00 0.00 72.50 71.75 3d52 s THR 657 CO 0.30 -0.57 1.13 -0.94 -0.54 0.00 0.00 174.62 174.00 3d52 s SER 658 N -3.23 3.14 -0.48 3.99 1.04 -1.26 -5.01 113.70 111.88 3d52 s SER 658 Ca 0.21 2.09 0.04 0.00 0.48 0.00 0.00 55.95 58.77 3d52 s SER 658 Cb -0.01 -2.54 0.16 0.00 0.10 0.00 0.00 66.02 63.73 3d52 s SER 658 CO 0.06 -2.95 0.36 -0.76 0.98 0.00 0.00 173.24 170.93 3d52 s LEU 659 N -6.50 2.30 0.55 2.42 1.43 -1.26 -5.10 118.68 112.52 3d52 s LEU 659 Ca 0.66 -3.14 -0.18 0.00 -1.03 0.00 0.00 54.13 50.44 3d52 s LEU 659 Cb -0.22 -0.78 -0.06 0.00 0.03 0.00 0.00 46.19 45.17 3d52 s LEU 659 CO 0.58 -0.17 1.06 -2.16 0.23 0.00 0.00 176.35 175.89 3d52 s PRO 660 N -0.19 3.49 -0.17 1.29 0.04 -1.26 -4.64 135.00 133.56 3d52 s PRO 660 Ca 0.28 1.30 0.22 0.00 0.04 0.00 0.00 61.00 62.84 3d52 s PRO 660 Cb -0.03 -2.05 0.47 0.00 0.04 0.00 0.00 34.50 32.93 3d52 s PRO 660 CO -0.15 -0.69 1.15 1.28 0.04 0.00 0.00 177.00 178.63 3d52 n LEU 661 N -1.58 1.75 0.00 -3.56 4.77 -1.26 -4.62 117.00 112.51 3d52 n LEU 661 Ca 0.09 -2.87 0.00 0.00 -0.03 0.00 0.00 56.01 53.20 3d52 n LEU 661 Cb 0.53 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 3d52 n LEU 661 CO 0.44 0.97 0.00 0.61 -1.33 0.00 0.00 177.39 178.07 3d52 n GLY 662 N -0.25 4.09 0.06 -0.72 0.00 -1.26 -1.68 105.19 105.43 3d52 n GLY 662 Ca 0.11 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.33 3d52 n GLY 662 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3d52 n GLN 663 N 13.96 0.52 -1.66 1.61 6.02 -1.26 -4.93 117.38 131.63 3d52 n GLN 663 Ca 0.00 -0.12 -0.49 0.00 -0.01 0.00 0.00 57.00 56.38 3d52 n GLN 663 Cb 0.00 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.71 3d52 n GLN 663 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3d52 n TYR 664 N -1.13 2.14 0.65 1.08 9.36 -0.68 -4.85 117.16 123.73 3d52 n TYR 664 Ca 0.13 0.28 0.11 0.00 3.32 0.00 0.00 57.90 61.74 3d52 n TYR 664 Cb 0.27 -2.53 0.44 0.00 -0.63 0.00 0.00 39.34 36.89 3d52 n TYR 664 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3d52 n PRO 665 N 4.37 0.06 -4.47 2.98 -0.04 -1.26 -4.71 135.00 131.92 3d52 n PRO 665 Ca 0.20 0.20 -0.33 0.00 -0.04 0.00 0.00 63.50 63.52 3d52 n PRO 665 Cb 0.26 -1.60 -0.15 0.00 -0.04 0.00 0.00 33.50 31.97 3d52 n PRO 665 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3d52 s GLU 666 N -3.07 3.31 0.31 0.54 2.56 -1.26 -5.10 118.70 115.99 3d52 s GLU 666 Ca 0.09 -0.70 -0.28 0.00 0.00 0.00 0.00 54.97 54.08 3d52 s GLU 666 Cb 0.13 -2.71 -0.09 0.00 2.00 0.00 0.00 34.13 33.45 3d52 s GLU 666 CO 0.40 0.04 1.07 -0.51 -0.56 0.00 0.00 175.26 175.70 3d52 s ASP 667 N 0.78 7.19 0.39 -1.70 1.01 -1.26 -4.94 116.67 118.14 3d52 s ASP 667 Ca -0.05 2.17 -0.27 0.00 0.71 0.00 0.00 52.55 55.12 3d52 s ASP 667 Cb -0.15 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 41.07 3d52 s ASP 667 CO 0.01 -0.19 1.33 -0.69 0.21 0.00 0.00 175.17 175.83 3d52 s VAL 668 N -1.29 2.55 0.20 -1.27 1.01 -1.26 -4.71 120.40 115.63 3d52 s VAL 668 Ca 0.47 0.51 0.05 0.00 0.00 0.00 0.00 61.98 63.02 3d52 s VAL 668 Cb -0.29 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3d52 s VAL 668 CO 0.36 0.09 0.23 -0.54 0.00 0.00 0.00 175.10 175.24 3d52 s LYS 669 N -2.16 3.11 0.09 2.72 -0.14 -0.18 -4.99 119.74 118.20 3d52 s LYS 669 Ca 0.55 -0.86 0.05 0.00 -1.36 0.00 0.00 55.97 54.36 3d52 s LYS 669 Cb -0.39 -2.73 -0.03 0.00 -1.68 0.00 0.00 37.83 33.00 3d52 s LYS 669 CO 0.51 0.45 -0.14 -0.06 -0.76 0.00 0.00 175.35 175.36 3d52 s PHE 670 N -1.91 1.29 0.11 3.18 0.40 -1.26 -0.03 117.98 119.76 3d52 s PHE 670 Ca 0.33 -0.50 -0.23 0.00 -0.60 0.00 0.00 56.93 55.93 3d52 s PHE 670 Cb -0.09 -0.71 0.06 0.00 0.51 0.00 0.00 43.02 42.79 3d52 s PHE 670 CO 0.26 0.09 0.57 0.20 0.70 0.00 0.00 175.22 177.04 3d52 s GLY 671 N -2.02 -0.54 0.61 4.36 0.00 -0.82 -4.90 107.32 103.99 3d52 s GLY 671 Ca 0.02 0.54 -0.16 0.00 0.00 0.00 0.00 44.72 45.12 3d52 s GLY 671 CO 0.02 0.22 1.08 0.99 0.00 0.00 0.00 173.10 175.41 3d52 s ASP 672 N -2.46 5.57 0.09 1.64 1.01 -1.26 -1.25 116.67 120.01 3d52 s ASP 672 Ca -0.01 1.91 -0.36 0.00 0.71 0.00 0.00 52.55 54.80 3d52 s ASP 672 Cb -0.00 -2.54 -0.17 0.00 1.01 0.00 0.00 42.92 41.21 3d52 s ASP 672 CO -0.09 -1.31 1.25 -2.65 0.21 0.00 0.00 175.17 172.58 3d52 n PRO 673 N -2.06 0.96 -3.63 8.23 -0.02 -1.26 -4.63 135.00 132.58 3d52 n PRO 673 Ca 0.10 0.34 -0.11 0.00 -2.02 0.00 0.00 63.50 61.81 3d52 n PRO 673 Cb 0.52 -1.93 -0.05 0.00 -0.02 0.00 0.00 33.50 32.03 3d52 n PRO 673 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3d52 s ARG 674 N 0.22 1.06 0.37 -0.52 1.70 -1.26 -4.99 118.95 115.54 3d52 s ARG 674 Ca 0.83 -0.68 -0.28 0.00 -0.47 0.00 0.00 55.73 55.13 3d52 s ARG 674 Cb -0.98 0.47 -0.11 0.00 -0.57 0.00 0.00 34.95 33.75 3d52 s ARG 674 CO 0.49 -0.41 1.50 0.39 -1.08 0.00 0.00 175.30 176.19 3d52 n GLU 675 N -0.17 2.68 -4.07 3.89 1.02 -1.26 -4.21 120.64 118.52 3d52 n GLU 675 Ca -0.16 0.94 -0.10 0.00 -0.02 0.00 0.00 57.16 57.82 3d52 n GLU 675 Cb 0.63 -2.68 -0.11 0.00 -0.02 0.00 0.00 31.44 29.27 3d52 n GLU 675 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3d52 s ILE 676 N -1.03 0.36 0.04 -3.67 -4.36 -1.02 -4.99 121.20 106.53 3d52 s ILE 676 Ca 0.54 -1.39 0.07 0.00 -0.26 0.00 0.00 60.65 59.61 3d52 s ILE 676 Cb -0.48 -0.95 -0.02 0.00 1.25 0.00 0.00 42.46 42.25 3d52 s ILE 676 CO 0.63 -0.67 -0.19 -0.55 0.24 0.00 0.00 174.94 174.39 3d52 s SER 677 N -2.18 2.32 0.04 4.36 0.15 -1.26 -0.33 113.70 116.80 3d52 s SER 677 Ca -0.03 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.13 3d52 s SER 677 Cb -0.02 -0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.08 3d52 s SER 677 CO -0.04 0.13 -0.07 -0.76 1.20 0.00 0.00 173.24 173.71 3d52 s LEU 678 N -1.17 2.26 -0.10 3.45 1.43 0.11 -4.99 118.68 119.67 3d52 s LEU 678 Ca 0.06 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 52.57 3d52 s LEU 678 Cb -0.09 -0.12 0.05 0.00 0.03 0.00 0.00 46.19 46.06 3d52 s LEU 678 CO 0.02 -0.22 0.21 -0.60 0.23 0.00 0.00 176.35 175.99 3d52 s ARG 679 N -1.61 0.12 -0.18 1.70 3.52 -1.26 -0.81 118.95 120.42 3d52 s ARG 679 Ca -0.10 0.60 -0.07 0.00 -0.13 0.00 0.00 55.73 56.03 3d52 s ARG 679 Cb -0.10 -0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.11 3d52 s ARG 679 CO 0.00 -0.25 0.06 0.08 -0.81 0.00 0.00 175.30 174.38 3d52 s VAL 680 N 1.99 4.76 0.00 7.11 1.01 -1.26 -5.00 120.40 129.01 3d52 s VAL 680 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3d52 s VAL 680 Cb -0.12 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3d52 s VAL 680 CO -0.07 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3d52 n GLY 681 N 3.46 2.29 0.07 4.51 0.00 -1.26 -2.08 105.19 112.17 3d52 n GLY 681 Ca -0.17 -0.46 0.09 0.00 0.00 0.00 0.00 46.02 45.48 3d52 n GLY 681 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d52 n ASN 682 N -0.17 0.21 -1.41 1.61 3.02 -1.26 -4.95 115.26 112.31 3d52 n ASN 682 Ca 0.00 -1.47 0.00 0.00 -0.03 0.00 0.00 54.58 53.08 3d52 n ASN 682 Cb 0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3d52 n ASN 682 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d52 n GLY 683 N 0.83 0.69 3.78 7.41 0.00 -0.88 -4.97 105.19 112.04 3d52 n GLY 683 Ca 0.14 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 3d52 n GLY 683 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d52 s PRO 684 N 1.28 2.70 -0.25 1.61 0.04 -1.26 -4.79 135.00 134.33 3d52 s PRO 684 Ca 0.00 1.25 -0.10 0.00 0.04 0.00 0.00 61.00 62.19 3d52 s PRO 684 Cb 0.00 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 3d52 s PRO 684 CO 0.00 -1.31 0.15 0.99 0.04 0.00 0.00 177.00 176.87 3d52 s THR 685 N -2.61 5.12 -0.15 1.26 2.01 -0.01 -4.21 115.64 117.06 3d52 s THR 685 Ca 0.64 0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.69 3d52 s THR 685 Cb -0.18 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 3d52 s THR 685 CO 0.47 0.32 0.02 -0.76 -0.69 0.00 0.00 174.62 173.98 3d52 s LEU 686 N 1.36 3.61 0.03 4.42 1.43 0.01 -0.73 118.68 128.81 3d52 s LEU 686 Ca 0.07 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 3d52 s LEU 686 Cb -0.15 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3d52 s LEU 686 CO 0.07 0.24 0.05 0.00 0.23 0.00 0.00 176.35 176.93 3d52 s ALA 687 N -0.03 3.46 0.05 4.21 0.00 -0.29 -0.71 121.76 128.46 3d52 s ALA 687 Ca 0.04 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.10 3d52 s ALA 687 Cb -0.13 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 3d52 s ALA 687 CO 0.02 0.70 -0.17 -0.06 0.00 0.00 0.00 175.76 176.24 3d52 s PHE 688 N -1.23 1.47 1.08 0.00 0.40 0.56 -0.57 117.98 119.69 3d52 s PHE 688 Ca 0.24 -0.37 -0.15 0.00 -0.60 0.00 0.00 56.93 56.05 3d52 s PHE 688 Cb -0.12 -0.87 0.23 0.00 0.51 0.00 0.00 43.02 42.77 3d52 s PHE 688 CO 0.15 0.07 1.10 -1.54 0.70 0.00 0.00 175.22 175.70 3d52 s SER 689 N -1.23 1.96 0.18 1.36 1.04 0.13 -2.45 113.70 114.69 3d52 s SER 689 Ca 0.04 0.98 0.21 0.00 0.48 0.00 0.00 55.95 57.65 3d52 s SER 689 Cb -0.08 -1.50 0.87 0.00 0.10 0.00 0.00 66.02 65.40 3d52 s SER 689 CO 0.02 -3.52 1.64 -1.84 0.98 0.00 0.00 173.24 170.52 3d52 n GLU 690 N -4.40 0.13 -0.19 4.02 0.28 -1.26 -1.45 120.64 117.76 3d52 n GLU 690 Ca 0.08 0.36 0.07 0.00 -0.16 0.00 0.00 57.16 57.51 3d52 n GLU 690 Cb 0.58 -1.75 0.21 0.00 1.43 0.00 0.00 31.44 31.91 3d52 n GLU 690 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3d52 n GLN 691 N -2.00 1.95 -1.57 3.44 3.00 -1.26 -4.48 117.38 116.45 3d52 n GLN 691 Ca 0.03 -1.47 -0.04 0.00 -0.01 0.00 0.00 57.00 55.51 3d52 n GLN 691 Cb 0.21 -1.34 -0.01 0.00 0.00 0.00 0.00 30.24 29.11 3d52 n GLN 691 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3d52 n GLY 692 N 1.17 0.45 3.63 1.08 0.00 -0.53 -4.89 105.19 106.09 3d52 n GLY 692 Ca 0.14 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 3d52 n GLY 692 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d52 s LEU 693 N -0.94 3.32 0.37 0.99 1.43 -1.26 -4.71 118.68 117.88 3d52 s LEU 693 Ca 0.00 -0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 52.81 3d52 s LEU 693 Cb 0.00 -1.81 -0.12 0.00 0.03 0.00 0.00 46.19 44.29 3d52 s LEU 693 CO 0.00 0.33 1.24 -0.11 0.23 0.00 0.00 176.35 178.04 3d52 n LEU 694 N 1.86 3.47 0.00 1.79 7.94 -1.26 -0.69 117.00 130.11 3d52 n LEU 694 Ca -0.17 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 3d52 n LEU 694 Cb 0.53 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 43.02 3d52 n LEU 694 CO 0.30 -0.69 -0.44 2.29 -1.11 0.00 0.00 177.39 177.74 3d52 n LYS 695 N 0.38 3.13 -3.44 1.96 2.85 0.27 -2.31 118.16 121.00 3d52 n LYS 695 Ca 0.06 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.20 3d52 n LYS 695 Cb 0.37 -0.94 -0.02 0.00 -0.65 0.00 0.00 35.03 33.79 3d52 n LYS 695 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3d52 s SER 696 N -2.61 -0.54 -0.06 -5.58 1.04 -1.10 -0.79 113.70 104.06 3d52 s SER 696 Ca 0.00 0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.46 3d52 s SER 696 Cb 0.00 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.71 3d52 s SER 696 CO 0.00 -0.89 0.01 -0.63 0.98 0.00 0.00 173.24 172.71 3d52 s ILE 697 N -3.51 0.28 -0.30 -1.02 1.01 -0.40 -1.13 121.20 116.12 3d52 s ILE 697 Ca 0.01 0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.74 3d52 s ILE 697 Cb -0.01 -0.44 0.01 0.00 0.01 0.00 0.00 42.46 42.03 3d52 s ILE 697 CO -0.11 0.23 0.09 -1.58 0.00 0.00 0.00 174.94 173.57 3d52 s GLN 698 N 1.82 3.07 0.17 2.79 0.74 0.09 -0.66 119.66 127.68 3d52 s GLN 698 Ca 0.02 -0.88 -0.11 0.00 0.05 0.00 0.00 55.36 54.44 3d52 s GLN 698 Cb -0.12 -3.41 0.06 0.00 1.10 0.00 0.00 33.01 30.63 3d52 s GLN 698 CO -0.04 -0.47 1.66 -0.07 -0.55 0.00 0.00 175.29 175.82 3d52 h LEU 699 N 8.25 0.92 -8.37 3.68 3.38 -1.86 0.03 115.31 121.34 3d52 h LEU 699 Ca -0.31 -0.26 -0.17 0.00 0.09 0.00 0.00 57.88 57.23 3d52 h LEU 699 Cb 1.12 -0.24 -0.14 0.00 0.09 0.00 0.00 40.66 41.49 3d52 h LEU 699 CO 0.61 0.95 -0.51 0.42 0.09 0.00 0.00 178.44 180.00 3d52 s THR 700 N -5.19 0.06 0.55 0.22 -4.23 -1.26 -4.12 115.64 101.67 3d52 s THR 700 Ca -0.12 -1.76 0.28 0.00 -1.18 0.00 0.00 61.69 58.91 3d52 s THR 700 Cb 0.13 -2.13 0.42 0.00 1.34 0.00 0.00 72.50 72.26 3d52 s THR 700 CO 0.83 -0.26 1.95 1.56 -0.54 0.00 0.00 174.62 178.16 3d52 h GLN 701 N 2.67 0.00 0.00 3.99 1.08 -1.92 -1.24 115.11 119.68 3d52 h GLN 701 Ca -0.34 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 3d52 h GLN 701 Cb 1.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 3d52 h GLN 701 CO 0.53 0.00 -0.80 0.38 -0.95 0.00 0.00 178.83 177.98 3d52 h ASP 702 N 0.00 0.00 -3.38 1.46 3.04 -1.99 -3.48 116.42 112.07 3d52 h ASP 702 Ca 0.28 -0.11 -0.47 0.00 -3.24 0.00 0.00 57.03 53.50 3d52 h ASP 702 Cb 1.21 0.00 0.05 0.00 -1.04 0.00 0.00 39.33 39.55 3d52 h ASP 702 CO -0.00 0.05 0.11 -0.94 -2.04 0.00 0.00 179.24 176.42 3d52 s SER 703 N -4.87 5.55 0.64 4.15 1.04 -0.47 -5.07 113.70 114.67 3d52 s SER 703 Ca 0.03 0.54 -0.13 0.00 0.48 0.00 0.00 55.95 56.88 3d52 s SER 703 Cb 0.11 -1.55 -0.02 0.00 0.10 0.00 0.00 66.02 64.66 3d52 s SER 703 CO 0.76 -1.04 1.05 -2.84 0.98 0.00 0.00 173.24 172.14 3d52 s PRO 704 N -4.90 3.24 -0.70 4.02 0.02 -1.26 -4.80 135.00 130.62 3d52 s PRO 704 Ca 0.53 0.98 -0.27 0.00 0.02 0.00 0.00 61.00 62.26 3d52 s PRO 704 Cb -0.10 -2.03 0.03 0.00 0.02 0.00 0.00 34.50 32.41 3d52 s PRO 704 CO 0.43 -0.86 1.30 -1.01 -0.33 0.00 0.00 177.00 176.53 3d52 s HIS 705 N -2.88 2.30 -0.15 6.54 3.76 -1.26 -4.29 115.29 119.31 3d52 s HIS 705 Ca 0.59 0.10 -0.29 0.00 -0.15 0.00 0.00 55.06 55.31 3d52 s HIS 705 Cb -0.14 -4.57 -0.01 0.00 1.11 0.00 0.00 32.58 28.98 3d52 s HIS 705 CO 0.48 -2.00 1.12 0.08 -0.85 0.00 0.00 174.74 173.57 3d52 s VAL 706 N 5.80 4.52 -0.02 -0.90 1.01 0.16 -4.78 120.40 126.19 3d52 s VAL 706 Ca 0.39 1.82 -0.30 0.00 0.00 0.00 0.00 61.98 63.90 3d52 s VAL 706 Cb -0.08 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 3d52 s VAL 706 CO 0.18 -0.09 2.04 -2.65 0.00 0.00 0.00 175.10 174.57 3d52 n PRO 707 N 5.85 2.67 -3.51 2.72 -0.02 -1.26 -1.28 135.00 140.17 3d52 n PRO 707 Ca 0.11 0.93 -0.21 0.00 -2.02 0.00 0.00 63.50 62.32 3d52 n PRO 707 Cb 0.46 -3.07 -0.13 0.00 -0.02 0.00 0.00 33.50 30.74 3d52 n PRO 707 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3d52 s VAL 708 N 5.37 -0.26 -0.17 -1.45 1.01 0.03 -3.97 120.40 120.96 3d52 s VAL 708 Ca 0.92 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 62.64 3d52 s VAL 708 Cb -0.41 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.23 3d52 s VAL 708 CO 0.41 -0.32 -0.14 -1.00 0.00 0.00 0.00 175.10 174.04 3d52 s HIS 709 N 2.27 2.81 0.21 5.22 3.76 -0.32 -2.72 115.29 126.53 3d52 s HIS 709 Ca 0.07 -1.12 -0.28 0.00 -0.15 0.00 0.00 55.06 53.57 3d52 s HIS 709 Cb -0.16 -1.93 -0.09 0.00 1.11 0.00 0.00 32.58 31.52 3d52 s HIS 709 CO -0.18 -0.54 0.87 -0.06 -0.85 0.00 0.00 174.74 173.99 3d52 s PHE 710 N 1.01 3.96 -0.08 1.40 0.08 -0.98 -0.80 117.98 122.57 3d52 s PHE 710 Ca -0.01 1.80 -0.08 0.00 0.12 0.00 0.00 56.93 58.76 3d52 s PHE 710 Cb -0.15 -2.89 0.02 0.00 -0.57 0.00 0.00 43.02 39.43 3d52 s PHE 710 CO -0.03 0.48 0.23 0.21 -0.10 0.00 0.00 175.22 176.01 3d52 s LYS 711 N -1.17 0.27 -0.16 0.44 2.20 0.10 -4.76 119.74 116.66 3d52 s LYS 711 Ca 0.39 0.30 -0.07 0.00 -0.36 0.00 0.00 55.97 56.23 3d52 s LYS 711 Cb -0.25 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 3d52 s LYS 711 CO 0.30 -0.03 0.06 -0.06 -0.36 0.00 0.00 175.35 175.26 3d52 s PHE 712 N 0.08 3.29 0.24 4.03 0.40 -1.26 -0.30 117.98 124.46 3d52 s PHE 712 Ca -0.00 0.16 0.02 0.00 -0.60 0.00 0.00 56.93 56.50 3d52 s PHE 712 Cb -0.02 -2.01 -0.05 0.00 0.51 0.00 0.00 43.02 41.45 3d52 s PHE 712 CO 0.00 0.29 0.07 -0.51 0.70 0.00 0.00 175.22 175.77 3d52 s LEU 713 N -0.03 1.78 -0.04 -0.37 1.02 -0.38 -1.13 118.68 119.53 3d52 s LEU 713 Ca 0.06 -1.33 0.04 0.00 0.02 0.00 0.00 54.13 52.92 3d52 s LEU 713 Cb -0.12 -0.02 -0.00 0.00 0.02 0.00 0.00 46.19 46.06 3d52 s LEU 713 CO 0.01 -0.68 -0.17 -1.59 0.02 0.00 0.00 176.35 173.93 3d52 s LYS 714 N -4.00 1.74 0.17 1.70 -2.85 0.59 -0.99 119.74 116.10 3d52 s LYS 714 Ca 0.35 -0.62 -0.03 0.00 -1.00 0.00 0.00 55.97 54.67 3d52 s LYS 714 Cb 0.07 -1.54 -0.05 0.00 -2.06 0.00 0.00 37.83 34.26 3d52 s LYS 714 CO 0.12 0.27 0.39 0.71 0.10 0.00 0.00 175.35 176.93 3d52 s TYR 715 N -0.03 3.48 0.00 1.78 2.02 0.18 -0.82 117.35 123.96 3d52 s TYR 715 Ca -0.02 0.49 0.00 0.00 -0.37 0.00 0.00 57.07 57.17 3d52 s TYR 715 Cb -0.11 -1.96 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 3d52 s TYR 715 CO 0.02 0.40 0.00 0.41 -1.57 0.00 0.00 175.55 174.81 3d52 n GLY 716 N -0.21 5.62 3.25 0.71 0.00 -1.26 -0.96 105.19 112.34 3d52 n GLY 716 Ca -0.03 -2.03 -0.18 0.00 0.00 0.00 0.00 46.02 43.78 3d52 n GLY 716 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d52 s VAL 717 N 1.40 1.34 0.09 1.61 1.01 -1.26 -3.09 120.40 121.50 3d52 s VAL 717 Ca 0.00 -1.74 -0.30 0.00 0.00 0.00 0.00 61.98 59.93 3d52 s VAL 717 Cb 0.00 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 3d52 s VAL 717 CO 0.00 -0.43 1.03 -0.13 0.00 0.00 0.00 175.10 175.57 3d52 s ARG 718 N -2.74 4.60 0.02 2.72 0.52 -1.25 -4.50 118.95 118.32 3d52 s ARG 718 Ca 0.10 1.55 -0.18 0.00 -0.52 0.00 0.00 55.73 56.67 3d52 s ARG 718 Cb -0.04 -3.37 -0.23 0.00 0.52 0.00 0.00 34.95 31.82 3d52 s ARG 718 CO 0.03 0.04 1.12 0.66 0.02 0.00 0.00 175.30 177.18 3d52 h SER 719 N 5.98 0.63 -3.50 0.23 4.64 -1.98 -3.44 113.55 116.11 3d52 h SER 719 Ca -0.42 -0.75 -0.66 0.00 -0.47 0.00 0.00 61.79 59.48 3d52 h SER 719 Cb 1.21 -0.19 -0.15 0.00 -0.31 0.00 0.00 62.40 62.96 3d52 h SER 719 CO 0.74 1.30 -0.70 -1.00 -0.87 0.00 0.00 176.83 176.30 3d52 s HIS 720 N -3.24 2.86 0.00 4.77 3.76 -1.26 -5.03 115.29 117.15 3d52 s HIS 720 Ca -0.12 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.71 3d52 s HIS 720 Cb 0.04 -1.52 0.00 0.00 1.11 0.00 0.00 32.58 32.22 3d52 s HIS 720 CO 0.85 0.43 0.00 0.41 -0.85 0.00 0.00 174.74 175.57 3d52 n GLY 721 N 0.90 -2.47 3.76 -2.22 0.00 -1.26 -4.97 105.19 98.94 3d52 n GLY 721 Ca -0.13 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 3d52 n GLY 721 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d52 s ASP 722 N -2.66 7.10 -0.08 1.61 1.01 -1.26 -4.91 116.67 117.48 3d52 s ASP 722 Ca 0.00 2.31 -0.11 0.00 0.71 0.00 0.00 52.55 55.46 3d52 s ASP 722 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 3d52 s ASP 722 CO 0.00 -0.26 0.26 -0.13 0.21 0.00 0.00 175.17 175.25 3d52 s ARG 723 N -1.65 3.72 0.55 8.23 1.81 -1.26 -4.51 118.95 125.84 3d52 s ARG 723 Ca 0.47 0.11 -0.22 0.00 -1.72 0.00 0.00 55.73 54.38 3d52 s ARG 723 Cb -0.32 -3.23 -0.05 0.00 -0.45 0.00 0.00 34.95 30.91 3d52 s ARG 723 CO 0.41 0.69 1.37 0.43 -0.68 0.00 0.00 175.30 177.52 3d52 n SER 724 N 2.08 2.70 0.00 0.23 7.64 -1.26 -4.50 113.62 120.51 3d52 n SER 724 Ca -0.17 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.68 3d52 n SER 724 Cb 0.54 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 3d52 n SER 724 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d52 n GLY 725 N 0.75 3.96 0.29 0.23 0.00 -0.83 -4.57 105.19 105.03 3d52 n GLY 725 Ca 0.11 -1.04 0.06 0.00 0.00 0.00 0.00 46.02 45.15 3d52 n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d52 h ALA 726 N 1.56 1.86 0.02 4.61 0.00 -1.85 -3.15 119.26 122.32 3d52 h ALA 726 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 3d52 h ALA 726 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3d52 h ALA 726 CO 0.00 0.12 -1.47 0.66 0.00 0.00 0.00 179.25 178.56 3d52 n TYR 727 N -4.50 0.97 -3.68 0.00 4.02 -1.26 -2.58 117.16 110.12 3d52 n TYR 727 Ca 0.01 0.38 -0.36 0.00 -0.01 0.00 0.00 57.90 57.91 3d52 n TYR 727 Cb 0.10 -1.10 -0.06 0.00 -0.02 0.00 0.00 39.34 38.26 3d52 n TYR 727 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3d52 s LEU 728 N -7.72 4.41 -0.33 7.72 1.43 -1.19 -0.87 118.68 122.13 3d52 s LEU 728 Ca -0.29 0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 53.49 3d52 s LEU 728 Cb 0.07 -2.52 0.07 0.00 0.03 0.00 0.00 46.19 43.84 3d52 s LEU 728 CO 0.61 0.31 0.06 0.12 0.23 0.00 0.00 176.35 177.68 3d52 s PHE 729 N -1.17 3.37 -0.56 0.29 5.36 -1.13 -1.97 117.98 122.17 3d52 s PHE 729 Ca 0.24 -2.04 0.06 0.00 -0.96 0.00 0.00 56.93 54.23 3d52 s PHE 729 Cb -0.14 -2.44 0.23 0.00 -0.34 0.00 0.00 43.02 40.32 3d52 s PHE 729 CO 0.12 -0.85 0.59 1.28 -1.46 0.00 0.00 175.22 174.91 3d52 n LEU 730 N 4.61 2.21 -4.76 6.12 4.77 -1.26 -4.62 117.00 124.06 3d52 n LEU 730 Ca -0.09 -5.08 -0.36 0.00 -0.03 0.00 0.00 56.01 50.44 3d52 n LEU 730 Cb 0.43 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 3d52 n LEU 730 CO 0.28 1.98 0.85 -2.16 -1.33 0.00 0.00 177.39 177.01 3d52 s PRO 731 N -1.66 3.23 -1.39 3.23 0.04 -1.26 -3.92 135.00 133.27 3d52 s PRO 731 Ca 0.35 1.84 -0.10 0.00 0.04 0.00 0.00 61.00 63.14 3d52 s PRO 731 Cb 0.11 -2.09 0.08 0.00 0.04 0.00 0.00 34.50 32.64 3d52 s PRO 731 CO -0.09 -1.00 2.26 0.27 0.04 0.00 0.00 177.00 178.48 3d52 n ASN 732 N -1.22 6.13 0.00 6.66 6.94 -1.18 -4.77 115.26 127.82 3d52 n ASN 732 Ca 0.11 -2.97 0.00 0.00 -0.02 0.00 0.00 54.58 51.71 3d52 n ASN 732 Cb 0.49 -1.50 0.00 0.00 -2.36 0.00 0.00 39.78 36.40 3d52 n ASN 732 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3d52 n GLY 733 N 2.96 0.02 3.59 4.83 0.00 -1.26 -4.79 105.19 110.54 3d52 n GLY 733 Ca 0.54 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 3d52 n GLY 733 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3d52 n PRO 734 N 0.05 0.36 -1.66 1.61 -0.04 -1.26 -4.80 135.00 129.25 3d52 n PRO 734 Ca 0.00 0.18 -0.33 0.00 -0.04 0.00 0.00 63.50 63.31 3d52 n PRO 734 Cb 0.00 -2.18 0.06 0.00 -0.04 0.00 0.00 33.50 31.34 3d52 n PRO 734 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d52 s ALA 735 N -1.93 2.42 0.06 0.55 0.00 -1.26 -4.92 121.76 116.68 3d52 s ALA 735 Ca 0.71 0.50 0.07 0.00 0.00 0.00 0.00 51.96 53.23 3d52 s ALA 735 Cb -0.33 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 3d52 s ALA 735 CO 0.53 -1.38 -0.15 -1.12 0.00 0.00 0.00 175.76 173.64 3d52 s SER 736 N -2.73 4.06 0.35 0.00 0.01 0.00 -4.84 113.70 110.54 3d52 s SER 736 Ca 0.66 -0.40 -0.28 0.00 1.31 0.00 0.00 55.95 57.24 3d52 s SER 736 Cb -0.20 -0.72 -0.11 0.00 0.21 0.00 0.00 66.02 65.21 3d52 s SER 736 CO 0.44 0.23 1.36 -2.84 0.41 0.00 0.00 173.24 172.85 3d52 s PRO 737 N -1.70 4.28 0.08 12.44 0.02 -1.26 -0.30 135.00 148.56 3d52 s PRO 737 Ca 0.17 2.33 -0.31 0.00 0.02 0.00 0.00 61.00 63.21 3d52 s PRO 737 Cb -0.11 -3.04 -0.08 0.00 0.02 0.00 0.00 34.50 31.30 3d52 s PRO 737 CO 0.08 -0.29 1.50 0.08 -0.33 0.00 0.00 177.00 178.04 3d52 s VAL 738 N -1.13 3.22 -0.12 3.83 1.01 -0.28 -4.78 120.40 122.15 3d52 s VAL 738 Ca 0.50 0.77 -0.29 0.00 0.00 0.00 0.00 61.98 62.95 3d52 s VAL 738 Cb -0.42 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3d52 s VAL 738 CO 0.56 0.03 1.27 -1.61 0.00 0.00 0.00 175.10 175.35 3d52 s GLU 739 N 1.90 4.26 0.13 2.72 2.02 -1.26 -4.90 118.70 123.58 3d52 s GLU 739 Ca 0.68 1.70 0.24 0.00 0.02 0.00 0.00 54.97 57.61 3d52 s GLU 739 Cb -0.37 -3.71 0.32 0.00 0.10 0.00 0.00 34.13 30.47 3d52 s GLU 739 CO 0.30 -0.64 1.31 -0.07 0.02 0.00 0.00 175.26 176.18 3d52 h LEU 740 N 9.28 0.00 0.00 1.80 3.38 -1.97 -3.45 115.31 124.35 3d52 h LEU 740 Ca -0.30 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3d52 h LEU 740 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3d52 h LEU 740 CO 0.94 0.09 0.00 0.61 0.09 0.00 0.00 178.44 180.18 3d52 n GLY 741 N 1.32 3.26 2.91 0.83 0.00 -1.26 -3.71 105.19 108.54 3d52 n GLY 741 Ca 0.03 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 3d52 n GLY 741 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3d52 s GLN 742 N 0.00 2.46 0.65 1.61 0.74 -1.26 -5.07 119.66 118.79 3d52 s GLN 742 Ca 0.00 -3.29 -0.15 0.00 0.05 0.00 0.00 55.36 51.97 3d52 s GLN 742 Cb 0.00 -3.44 -0.01 0.00 1.10 0.00 0.00 33.01 30.67 3d52 s GLN 742 CO 0.00 -1.27 1.09 -1.25 -0.55 0.00 0.00 175.29 173.31 3d52 s PRO 743 N -1.37 2.90 0.01 1.67 0.04 -1.24 -4.91 135.00 132.10 3d52 s PRO 743 Ca 0.24 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 3d52 s PRO 743 Cb -0.06 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 3d52 s PRO 743 CO -0.15 -1.16 1.07 0.08 0.04 0.00 0.00 177.00 176.88 3d52 s VAL 744 N -2.44 4.53 -0.12 -0.36 1.01 -1.26 -4.82 120.40 116.95 3d52 s VAL 744 Ca 0.65 1.82 0.02 0.00 0.00 0.00 0.00 61.98 64.47 3d52 s VAL 744 Cb -0.19 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 3d52 s VAL 744 CO 0.42 0.12 -0.18 -0.69 0.00 0.00 0.00 175.10 174.77 3d52 s VAL 745 N 1.18 2.54 -0.17 2.92 1.01 -0.72 -2.38 120.40 124.78 3d52 s VAL 745 Ca 0.54 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 3d52 s VAL 745 Cb -0.24 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.11 3d52 s VAL 745 CO 0.27 0.54 -0.14 -0.22 0.00 0.00 0.00 175.10 175.55 3d52 s LEU 746 N 0.41 2.49 -0.16 3.92 2.96 0.57 -0.10 118.68 128.77 3d52 s LEU 746 Ca -0.14 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.28 3d52 s LEU 746 Cb -0.17 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 3d52 s LEU 746 CO 0.06 0.06 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.36 3d52 s VAL 747 N 0.96 3.18 -0.13 1.68 1.01 0.85 -0.64 120.40 127.32 3d52 s VAL 747 Ca -0.02 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3d52 s VAL 747 Cb -0.15 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.86 3d52 s VAL 747 CO -0.02 0.50 -0.21 -0.89 0.00 0.00 0.00 175.10 174.47 3d52 s THR 748 N 0.68 2.19 -0.18 3.92 2.01 0.09 -0.04 115.64 124.30 3d52 s THR 748 Ca -0.05 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.01 3d52 s THR 748 Cb -0.15 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.52 3d52 s THR 748 CO 0.02 0.55 -0.14 -0.75 -0.69 0.00 0.00 174.62 173.60 3d52 s LYS 749 N 0.64 2.43 0.16 4.92 2.20 -0.37 -0.22 119.74 129.50 3d52 s LYS 749 Ca -0.11 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 54.71 3d52 s LYS 749 Cb -0.16 -2.42 -0.05 0.00 -1.51 0.00 0.00 37.83 33.69 3d52 s LYS 749 CO 0.02 -0.32 -0.01 0.20 -0.36 0.00 0.00 175.35 174.88 3d52 s GLY 750 N 1.36 1.17 0.21 5.54 0.00 -1.02 -0.74 107.32 113.84 3d52 s GLY 750 Ca 0.02 -1.56 -0.05 0.00 0.00 0.00 0.00 44.72 43.12 3d52 s GLY 750 CO -0.10 -1.53 1.65 1.70 0.00 0.00 0.00 173.10 174.82 3d52 h LYS 751 N 2.73 0.86 0.00 2.90 3.64 -1.96 -3.31 116.57 121.43 3d52 h LYS 751 Ca -0.37 -0.31 -0.32 0.00 -1.27 0.00 0.00 60.65 58.38 3d52 h LYS 751 Cb 1.20 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.90 3d52 h LYS 751 CO 0.63 0.95 -2.29 1.28 -2.27 0.00 0.00 179.45 177.75 3d52 n LEU 752 N -4.14 0.00 -3.69 5.20 4.77 -1.26 -4.45 117.00 113.42 3d52 n LEU 752 Ca 0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.89 3d52 n LEU 752 Cb 0.40 0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 41.82 3d52 n LEU 752 CO 0.44 0.44 0.08 -0.70 -1.33 0.00 0.00 177.39 176.32 3d52 s GLU 753 N -2.54 0.42 0.18 3.23 2.12 -1.25 -4.48 118.70 116.40 3d52 s GLU 753 Ca -0.09 0.81 0.07 0.00 0.36 0.00 0.00 54.97 56.12 3d52 s GLU 753 Cb 0.06 0.00 -0.05 0.00 0.26 0.00 0.00 34.13 34.41 3d52 s GLU 753 CO 0.79 -0.15 -0.13 -1.12 -0.54 0.00 0.00 175.26 174.11 3d52 s SER 754 N 1.36 2.32 0.06 -1.70 0.01 -0.38 -2.42 113.70 112.94 3d52 s SER 754 Ca -0.09 -1.01 -0.24 0.00 1.31 0.00 0.00 55.95 55.92 3d52 s SER 754 Cb -0.08 -0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.12 3d52 s SER 754 CO -0.13 -0.22 0.57 -0.94 0.41 0.00 0.00 173.24 172.94 3d52 s SER 755 N -3.24 -0.51 -0.10 2.44 1.04 0.70 -0.38 113.70 113.63 3d52 s SER 755 Ca 0.20 0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.89 3d52 s SER 755 Cb 0.00 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.66 3d52 s SER 755 CO 0.05 -0.76 -0.15 -0.69 0.98 0.00 0.00 173.24 172.67 3d52 s VAL 756 N -2.53 1.47 0.00 5.02 1.01 -0.12 -0.73 120.40 124.53 3d52 s VAL 756 Ca -0.05 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.36 3d52 s VAL 756 Cb -0.01 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 3d52 s VAL 756 CO -0.02 0.44 -0.20 -0.44 0.00 0.00 0.00 175.10 174.87 3d52 s SER 757 N 0.95 2.37 -0.01 3.32 0.01 0.19 -0.58 113.70 119.95 3d52 s SER 757 Ca -0.07 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.77 3d52 s SER 757 Cb -0.15 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.85 3d52 s SER 757 CO -0.01 0.21 -0.00 0.54 0.41 0.00 0.00 173.24 174.39 3d52 s VAL 758 N -0.58 0.11 -0.61 3.43 0.11 0.14 -0.32 120.40 122.68 3d52 s VAL 758 Ca 0.08 0.02 -0.21 0.00 -2.93 0.00 0.00 61.98 58.93 3d52 s VAL 758 Cb -0.08 -0.15 0.07 0.00 -1.53 0.00 0.00 36.38 34.70 3d52 s VAL 758 CO 0.00 0.07 0.86 -0.83 -3.33 0.00 0.00 175.10 171.87 3d52 s GLY 759 N 0.40 1.52 0.28 6.54 0.00 -1.00 -1.12 107.32 113.94 3d52 s GLY 759 Ca -0.04 -1.85 0.06 0.00 0.00 0.00 0.00 44.72 42.89 3d52 s GLY 759 CO -0.01 1.88 0.36 1.08 0.00 0.00 0.00 173.10 176.41 3d52 s LEU 760 N 3.55 4.05 -0.07 0.66 1.43 0.14 -4.33 118.68 124.11 3d52 s LEU 760 Ca 0.20 -0.13 -0.32 0.00 -1.03 0.00 0.00 54.13 52.84 3d52 s LEU 760 Cb -0.18 -2.67 -0.10 0.00 0.03 0.00 0.00 46.19 43.26 3d52 s LEU 760 CO 0.10 -0.21 1.95 -2.65 0.23 0.00 0.00 176.35 175.77 3d52 n PRO 761 N -1.44 2.36 -0.38 1.29 -0.02 -1.26 -1.75 135.00 133.80 3d52 n PRO 761 Ca -0.05 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3d52 n PRO 761 Cb 0.58 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 3d52 n PRO 761 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3d52 n SER 762 N 7.38 0.00 -3.68 2.55 7.64 -1.26 -4.97 113.62 121.28 3d52 n SER 762 Ca 0.23 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.98 3d52 n SER 762 Cb 0.34 -0.13 -0.13 0.00 -1.01 0.00 0.00 64.21 63.28 3d52 n SER 762 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3d52 s VAL 763 N -3.23 -0.33 -0.35 0.44 1.01 -0.71 -0.40 120.40 116.82 3d52 s VAL 763 Ca 0.00 0.23 -0.18 0.00 0.00 0.00 0.00 61.98 62.03 3d52 s VAL 763 Cb 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 36.38 35.92 3d52 s VAL 763 CO 0.00 0.10 0.53 -0.69 0.00 0.00 0.00 175.10 175.04 3d52 s VAL 764 N 2.13 4.99 -0.18 2.92 1.01 -0.30 -0.68 120.40 130.29 3d52 s VAL 764 Ca -0.02 0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.28 3d52 s VAL 764 Cb -0.11 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 3d52 s VAL 764 CO -0.09 -0.23 0.04 -2.28 0.00 0.00 0.00 175.10 172.54 3d52 s HIS 765 N 2.45 3.20 -0.04 5.22 5.04 -0.27 -0.77 115.29 130.12 3d52 s HIS 765 Ca 0.20 -0.01 0.02 0.00 -1.54 0.00 0.00 55.06 53.73 3d52 s HIS 765 Cb -0.15 -2.06 0.01 0.00 0.04 0.00 0.00 32.58 30.41 3d52 s HIS 765 CO 0.13 0.10 -0.10 -1.14 -2.34 0.00 0.00 174.74 171.39 3d52 s GLN 766 N 0.41 1.28 -0.17 2.88 0.74 0.69 -0.68 119.66 124.81 3d52 s GLN 766 Ca 0.02 -0.35 -0.03 0.00 0.05 0.00 0.00 55.36 55.05 3d52 s GLN 766 Cb -0.13 -1.13 -0.02 0.00 1.10 0.00 0.00 33.01 32.83 3d52 s GLN 766 CO 0.01 0.08 -0.07 0.99 -0.55 0.00 0.00 175.29 175.75 3d52 s THR 767 N 0.41 3.48 -0.07 -0.34 2.01 0.25 -0.89 115.64 120.48 3d52 s THR 767 Ca -0.08 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.48 3d52 s THR 767 Cb -0.12 -2.53 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 3d52 s THR 767 CO 0.02 0.48 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.58 3d52 s ILE 768 N 0.70 2.30 -0.12 1.82 1.01 0.10 -0.95 121.20 126.06 3d52 s ILE 768 Ca -0.03 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.68 3d52 s ILE 768 Cb -0.15 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.46 3d52 s ILE 768 CO 0.02 0.56 -0.22 -0.04 0.00 0.00 0.00 174.94 175.26 3d52 s MET 769 N -0.07 3.05 -0.02 2.79 -1.94 0.49 -0.75 119.30 122.85 3d52 s MET 769 Ca -0.06 -0.86 0.03 0.00 -1.71 0.00 0.00 55.69 53.10 3d52 s MET 769 Cb -0.14 -2.39 0.04 0.00 2.01 0.00 0.00 34.83 34.35 3d52 s MET 769 CO 0.04 0.07 0.90 0.54 -0.01 0.00 0.00 175.02 176.56 3d52 n ARG 770 N 3.82 1.77 0.00 2.03 1.74 -1.26 -1.25 116.66 123.51 3d52 n ARG 770 Ca -0.19 -1.37 0.00 0.00 -0.77 0.00 0.00 57.85 55.51 3d52 n ARG 770 Cb 0.52 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 31.05 3d52 n ARG 770 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d52 n GLY 771 N -0.48 0.96 0.00 -0.13 0.00 -1.26 -4.91 105.19 99.37 3d52 n GLY 771 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3d52 n GLY 771 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d52 n GLY 772 N -0.69 5.09 3.70 -0.02 0.00 -1.26 -3.84 105.19 108.17 3d52 n GLY 772 Ca 0.00 -1.25 -0.44 0.00 0.00 0.00 0.00 46.02 44.33 3d52 n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d52 n ALA 773 N -3.00 1.81 -1.00 4.61 0.00 -1.26 -4.63 120.51 117.03 3d52 n ALA 773 Ca 0.00 0.41 -0.31 0.00 0.00 0.00 0.00 53.44 53.53 3d52 n ALA 773 Cb 0.00 -2.38 0.13 0.00 0.00 0.00 0.00 19.45 17.20 3d52 n ALA 773 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3d52 s PRO 774 N 0.12 1.67 -0.12 0.00 0.04 -1.22 -4.76 135.00 130.73 3d52 s PRO 774 Ca 0.71 1.41 -0.04 0.00 0.04 0.00 0.00 61.00 63.11 3d52 s PRO 774 Cb -0.60 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 3d52 s PRO 774 CO 0.44 -2.12 0.04 -2.00 0.04 0.00 0.00 177.00 173.40 3d52 s GLU 775 N -4.67 3.36 -0.12 4.56 2.12 0.08 -1.71 118.70 122.31 3d52 s GLU 775 Ca 0.65 -0.34 -0.02 0.00 0.36 0.00 0.00 54.97 55.62 3d52 s GLU 775 Cb -0.21 -2.99 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 3d52 s GLU 775 CO 0.55 0.59 -0.06 0.42 -0.54 0.00 0.00 175.26 176.23 3d52 s ILE 776 N -0.54 3.74 -0.08 -3.70 -1.09 -0.33 0.02 121.20 119.22 3d52 s ILE 776 Ca 0.10 -0.43 0.03 0.00 -2.23 0.00 0.00 60.65 58.12 3d52 s ILE 776 Cb -0.12 -2.59 0.01 0.00 -1.58 0.00 0.00 42.46 38.18 3d52 s ILE 776 CO 0.02 0.53 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.98 3d52 s ARG 777 N -0.02 2.10 -0.19 2.79 0.52 -0.07 -0.46 118.95 123.62 3d52 s ARG 777 Ca 0.00 -0.55 -0.00 0.00 -0.52 0.00 0.00 55.73 54.66 3d52 s ARG 777 Cb -0.13 -1.67 0.01 0.00 0.52 0.00 0.00 34.95 33.68 3d52 s ARG 777 CO 0.03 0.07 -0.15 -0.80 0.02 0.00 0.00 175.30 174.47 3d52 s ASN 778 N 0.57 3.50 -0.51 0.23 0.01 -0.14 -0.22 114.94 118.37 3d52 s ASN 778 Ca -0.16 -0.56 -0.19 0.00 -0.71 0.00 0.00 52.86 51.24 3d52 s ASN 778 Cb -0.16 -1.56 0.06 0.00 0.41 0.00 0.00 41.25 40.00 3d52 s ASN 778 CO 0.05 0.01 0.62 -0.22 -1.51 0.00 0.00 177.10 176.05 3d52 s LEU 779 N 1.28 5.03 -0.25 0.60 2.96 0.05 -0.67 118.68 127.68 3d52 s LEU 779 Ca 0.04 -0.97 -0.09 0.00 -0.22 0.00 0.00 54.13 52.89 3d52 s LEU 779 Cb -0.14 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 3d52 s LEU 779 CO -0.09 -0.90 0.11 -0.69 -1.32 0.00 0.00 176.35 173.46 3d52 s VAL 780 N 2.59 4.70 -0.34 1.68 1.01 -0.02 -1.14 120.40 128.89 3d52 s VAL 780 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 3d52 s VAL 780 Cb -0.20 -3.21 0.11 0.00 0.00 0.00 0.00 36.38 33.09 3d52 s VAL 780 CO 0.11 0.32 0.15 -0.62 0.00 0.00 0.00 175.10 175.06 3d52 s ASP 781 N 1.57 3.71 0.04 3.32 -1.08 0.46 -1.92 116.67 122.77 3d52 s ASP 781 Ca 0.06 -1.84 0.20 0.00 -0.52 0.00 0.00 52.55 50.45 3d52 s ASP 781 Cb -0.15 -0.73 0.82 0.00 -1.46 0.00 0.00 42.92 41.40 3d52 s ASP 781 CO 0.06 -0.38 1.62 0.00 0.52 0.00 0.00 175.17 177.00 3d52 n ILE 782 N 4.56 0.72 0.00 4.11 3.06 -1.26 -4.34 119.36 126.20 3d52 n ILE 782 Ca 0.01 0.16 0.00 0.00 -2.50 0.00 0.00 62.75 60.42 3d52 n ILE 782 Cb 0.40 -0.88 0.00 0.00 0.54 0.00 0.00 39.64 39.70 3d52 n ILE 782 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3d52 n GLY 783 N 0.43 3.44 1.34 4.50 0.00 -1.26 -1.98 105.19 111.66 3d52 n GLY 783 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 3d52 n GLY 783 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d52 n SER 784 N 4.58 3.69 -4.15 1.61 3.41 -1.26 -4.84 113.62 116.67 3d52 n SER 784 Ca 0.00 -3.34 -0.40 0.00 -0.26 0.00 0.00 58.87 54.87 3d52 n SER 784 Cb 0.00 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.28 3d52 n SER 784 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3d52 n LEU 785 N -0.65 4.90 -4.69 1.04 4.77 -0.84 -4.97 117.00 116.57 3d52 n LEU 785 Ca 0.32 -3.61 -0.39 0.00 -0.03 0.00 0.00 56.01 52.30 3d52 n LEU 785 Cb 1.12 -1.59 0.03 0.00 -2.33 0.00 0.00 43.42 40.65 3d52 n LEU 785 CO 0.27 -0.11 0.81 0.47 -1.33 0.00 0.00 177.39 177.50 3d52 n ASP 786 N 8.84 2.07 -3.70 -1.43 9.92 -1.26 -3.33 116.55 127.66 3d52 n ASP 786 Ca 0.49 0.98 -0.23 0.00 -0.53 0.00 0.00 54.79 55.51 3d52 n ASP 786 Cb 0.43 -1.49 0.04 0.00 -0.64 0.00 0.00 41.12 39.47 3d52 n ASP 786 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3d52 n ASN 787 N -0.43 -2.60 -4.00 -2.24 3.02 0.13 -4.96 115.26 104.18 3d52 n ASN 787 Ca 0.10 -0.75 -0.15 0.00 -0.03 0.00 0.00 54.58 53.75 3d52 n ASN 787 Cb 0.43 -4.28 -0.13 0.00 -0.61 0.00 0.00 39.78 35.19 3d52 n ASN 787 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3d52 s THR 788 N -3.51 0.48 -0.10 3.41 2.01 -0.68 -4.00 115.64 113.26 3d52 s THR 788 Ca 0.20 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.69 3d52 s THR 788 Cb -0.10 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 71.97 3d52 s THR 788 CO 0.80 -0.05 -0.15 -1.61 -0.69 0.00 0.00 174.62 172.92 3d52 s GLU 789 N -0.63 2.16 -0.18 4.92 2.02 -0.13 -0.74 118.70 126.12 3d52 s GLU 789 Ca -0.02 -0.55 -0.13 0.00 0.02 0.00 0.00 54.97 54.29 3d52 s GLU 789 Cb -0.05 -1.83 -0.05 0.00 0.10 0.00 0.00 34.13 32.31 3d52 s GLU 789 CO 0.00 -0.04 0.28 0.42 0.02 0.00 0.00 175.26 175.94 3d52 s ILE 790 N 0.92 5.31 -0.01 -1.63 1.01 -0.51 -0.64 121.20 125.64 3d52 s ILE 790 Ca -0.08 0.49 0.08 0.00 0.00 0.00 0.00 60.65 61.14 3d52 s ILE 790 Cb -0.15 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 3d52 s ILE 790 CO -0.00 0.36 -0.26 0.54 0.00 0.00 0.00 174.94 175.58 3d52 s VAL 791 N 0.69 2.07 -0.25 2.92 0.11 -0.16 0.03 120.40 125.81 3d52 s VAL 791 Ca 0.15 -1.14 -0.10 0.00 -2.93 0.00 0.00 61.98 57.97 3d52 s VAL 791 Cb -0.13 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 32.95 3d52 s VAL 791 CO 0.04 0.56 0.14 -0.32 -3.33 0.00 0.00 175.10 172.19 3d52 s MET 792 N -0.68 3.92 0.07 1.54 1.75 -0.36 -1.25 119.30 124.29 3d52 s MET 792 Ca 0.10 -0.34 0.07 0.00 -1.25 0.00 0.00 55.69 54.27 3d52 s MET 792 Cb -0.10 -3.50 -0.04 0.00 2.84 0.00 0.00 34.83 34.03 3d52 s MET 792 CO -0.01 -0.06 -0.15 0.50 -0.65 0.00 0.00 175.02 174.65 3d52 s ARG 793 N 1.38 2.05 -0.11 4.11 3.52 0.59 -0.38 118.95 130.11 3d52 s ARG 793 Ca 0.06 -1.02 0.02 0.00 -0.13 0.00 0.00 55.73 54.66 3d52 s ARG 793 Cb -0.15 -2.23 -0.01 0.00 -1.56 0.00 0.00 34.95 31.00 3d52 s ARG 793 CO 0.06 0.52 -0.16 -0.51 -0.81 0.00 0.00 175.30 174.41 3d52 s LEU 794 N -1.82 2.58 -0.12 -0.88 1.43 0.11 -0.72 118.68 119.25 3d52 s LEU 794 Ca 0.17 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 3d52 s LEU 794 Cb -0.11 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.57 3d52 s LEU 794 CO 0.09 0.20 -0.20 -1.61 0.23 0.00 0.00 176.35 175.06 3d52 s GLU 795 N 0.12 2.77 0.33 1.70 2.02 0.02 -1.44 118.70 124.22 3d52 s GLU 795 Ca -0.08 -0.77 0.05 0.00 0.02 0.00 0.00 54.97 54.19 3d52 s GLU 795 Cb -0.15 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.83 3d52 s GLU 795 CO 0.05 0.03 0.20 0.95 0.02 0.00 0.00 175.26 176.51 3d52 s THR 796 N 0.72 0.22 -0.31 3.63 -4.23 -0.19 -1.17 115.64 114.31 3d52 s THR 796 Ca -0.11 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.51 3d52 s THR 796 Cb -0.16 -2.47 0.70 0.00 1.34 0.00 0.00 72.50 71.91 3d52 s THR 796 CO 0.01 0.00 1.74 1.41 -0.54 0.00 0.00 174.62 177.24 3d52 n HIS 797 N -0.64 2.19 -2.74 3.99 8.25 -1.25 -4.56 115.22 120.46 3d52 n HIS 797 Ca 0.02 -1.24 -0.42 0.00 -0.26 0.00 0.00 57.72 55.82 3d52 n HIS 797 Cb 0.64 -0.64 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 3d52 n HIS 797 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3d52 s ILE 798 N -3.02 4.84 -1.17 1.59 1.01 -1.26 -4.93 121.20 118.25 3d52 s ILE 798 Ca 0.53 2.01 -0.09 0.00 0.00 0.00 0.00 60.65 63.09 3d52 s ILE 798 Cb 0.43 -4.30 0.23 0.00 0.01 0.00 0.00 42.46 38.84 3d52 s ILE 798 CO 0.12 0.19 1.44 -0.67 0.00 0.00 0.00 174.94 176.01 3d52 n ASP 799 N 3.74 5.54 0.04 3.58 2.03 -1.26 -2.37 116.55 127.85 3d52 n ASP 799 Ca 0.05 -3.11 0.13 0.00 0.52 0.00 0.00 54.79 52.38 3d52 n ASP 799 Cb 0.51 -1.43 0.41 0.00 -0.72 0.00 0.00 41.12 39.88 3d52 n ASP 799 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3d52 n SER 800 N 3.52 0.44 0.00 1.67 3.41 -1.26 -4.56 113.62 116.84 3d52 n SER 800 Ca 0.31 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 3d52 n SER 800 Cb 0.38 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3d52 n SER 800 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d52 n GLY 801 N 1.42 3.18 0.58 5.00 0.00 -1.26 -1.85 105.19 112.25 3d52 n GLY 801 Ca 0.06 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.18 3d52 n GLY 801 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d52 n ASP 802 N 9.64 2.73 -4.81 1.61 5.68 -1.26 -3.13 116.55 127.02 3d52 n ASP 802 Ca 0.00 -1.92 -0.36 0.00 -0.50 0.00 0.00 54.79 52.01 3d52 n ASP 802 Cb 0.00 -0.19 -0.07 0.00 -1.14 0.00 0.00 41.12 39.72 3d52 n ASP 802 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3d52 s ILE 803 N -0.98 5.06 0.31 2.12 -1.09 -0.77 -0.31 121.20 125.54 3d52 s ILE 803 Ca 0.21 0.03 -0.11 0.00 -2.23 0.00 0.00 60.65 58.55 3d52 s ILE 803 Cb 0.11 -3.18 0.01 0.00 -1.58 0.00 0.00 42.46 37.82 3d52 s ILE 803 CO 0.15 0.61 0.56 0.72 -1.23 0.00 0.00 174.94 175.75 3d52 s PHE 804 N -0.98 0.51 -0.02 3.97 -0.71 -0.68 -4.72 117.98 115.34 3d52 s PHE 804 Ca 0.15 -0.90 0.02 0.00 -1.04 0.00 0.00 56.93 55.15 3d52 s PHE 804 Cb -0.12 0.28 0.01 0.00 -1.21 0.00 0.00 43.02 41.98 3d52 s PHE 804 CO 0.04 -1.19 -0.07 0.71 -1.34 0.00 0.00 175.22 173.37 3d52 s TYR 805 N -3.30 0.75 0.12 3.49 1.51 -0.42 0.24 117.35 119.73 3d52 s TYR 805 Ca 0.23 -0.18 0.05 0.00 -1.01 0.00 0.00 57.07 56.17 3d52 s TYR 805 Cb -0.02 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.23 3d52 s TYR 805 CO 0.13 -0.09 -0.13 0.95 -1.11 0.00 0.00 175.55 175.30 3d52 s THR 806 N 0.30 1.26 0.51 -0.71 -4.23 -0.93 -0.85 115.64 110.99 3d52 s THR 806 Ca -0.04 -1.75 -0.04 0.00 -1.18 0.00 0.00 61.69 58.68 3d52 s THR 806 Cb -0.08 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.20 3d52 s THR 806 CO 0.00 -0.47 0.80 1.51 -0.54 0.00 0.00 174.62 175.92 3d52 s ASP 807 N -2.53 5.96 -0.24 3.99 -4.77 -0.68 -0.69 116.67 117.70 3d52 s ASP 807 Ca 0.09 0.75 -0.00 0.00 -3.30 0.00 0.00 52.55 50.08 3d52 s ASP 807 Cb -0.04 -1.95 0.03 0.00 -1.09 0.00 0.00 42.92 39.88 3d52 s ASP 807 CO 0.02 -0.76 -0.08 -0.76 0.70 0.00 0.00 175.17 174.29 3d52 s LEU 808 N -4.79 3.14 -1.19 2.11 1.43 0.12 -4.34 118.68 115.17 3d52 s LEU 808 Ca 0.50 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3d52 s LEU 808 Cb -0.10 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.49 3d52 s LEU 808 CO 0.44 -0.13 0.00 0.59 0.23 0.00 0.00 176.35 177.48 3d52 n ASN 809 N 4.62 -4.07 -0.07 2.29 4.13 -1.26 -1.01 115.26 119.88 3d52 n ASN 809 Ca -0.16 0.19 -0.01 0.00 1.68 0.00 0.00 54.58 56.28 3d52 n ASN 809 Cb 0.46 -3.49 -0.00 0.00 -1.54 0.00 0.00 39.78 35.21 3d52 n ASN 809 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d52 n GLY 810 N -0.75 0.34 0.09 7.41 0.00 -1.26 -0.12 105.19 110.91 3d52 n GLY 810 Ca -0.16 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 3d52 n GLY 810 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3d52 n LEU 811 N -0.11 2.91 -3.68 0.99 7.94 -0.18 -4.90 117.00 119.98 3d52 n LEU 811 Ca -0.01 -0.10 -0.12 0.00 -1.11 0.00 0.00 56.01 54.67 3d52 n LEU 811 Cb 0.25 -0.62 -0.06 0.00 0.53 0.00 0.00 43.42 43.52 3d52 n LEU 811 CO 0.01 0.80 0.13 0.00 -1.11 0.00 0.00 177.39 177.23 3d52 s GLN 812 N -2.37 0.94 -0.09 1.96 -2.07 -1.19 -5.00 119.66 111.85 3d52 s GLN 812 Ca -0.24 -0.49 -0.01 0.00 -1.82 0.00 0.00 55.36 52.80 3d52 s GLN 812 Cb 0.06 0.42 -0.03 0.00 -1.09 0.00 0.00 33.01 32.37 3d52 s GLN 812 CO 0.43 -0.33 -0.04 -0.06 -1.32 0.00 0.00 175.29 173.97 3d52 s PHE 813 N -2.87 3.02 -0.03 9.60 0.40 -1.25 0.16 117.98 127.01 3d52 s PHE 813 Ca -0.03 0.02 0.07 0.00 -0.60 0.00 0.00 56.93 56.40 3d52 s PHE 813 Cb 0.00 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 3d52 s PHE 813 CO -0.05 0.31 -0.25 -1.50 0.70 0.00 0.00 175.22 174.43 3d52 s ILE 814 N -0.63 2.02 0.11 0.64 2.07 0.13 -2.02 121.20 123.53 3d52 s ILE 814 Ca 0.10 -1.08 -0.31 0.00 -1.41 0.00 0.00 60.65 57.94 3d52 s ILE 814 Cb -0.12 -1.68 -0.08 0.00 0.13 0.00 0.00 42.46 40.71 3d52 s ILE 814 CO 0.02 0.57 1.47 -0.75 -1.91 0.00 0.00 174.94 174.34 3d52 s LYS 815 N -0.50 4.27 0.13 3.50 2.20 0.24 -2.19 119.74 127.38 3d52 s LYS 815 Ca 0.07 2.18 0.08 0.00 -0.36 0.00 0.00 55.97 57.93 3d52 s LYS 815 Cb -0.11 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 3d52 s LYS 815 CO 0.00 -0.54 -0.09 1.03 -0.36 0.00 0.00 175.35 175.39 3d52 s ARG 816 N 1.44 2.12 -0.10 4.03 1.81 0.14 -4.97 118.95 123.42 3d52 s ARG 816 Ca 0.67 -1.09 0.00 0.00 -1.72 0.00 0.00 55.73 53.59 3d52 s ARG 816 Cb -0.39 -2.27 0.02 0.00 -0.45 0.00 0.00 34.95 31.87 3d52 s ARG 816 CO 0.30 0.49 -0.08 0.50 -0.68 0.00 0.00 175.30 175.82 3d52 s ARG 817 N -2.40 1.51 0.11 3.54 3.52 -1.26 -1.69 118.95 122.28 3d52 s ARG 817 Ca 0.22 -0.28 -0.31 0.00 -0.13 0.00 0.00 55.73 55.24 3d52 s ARG 817 Cb -0.10 -1.48 -0.08 0.00 -1.56 0.00 0.00 34.95 31.72 3d52 s ARG 817 CO 0.14 -0.18 1.46 0.50 -0.81 0.00 0.00 175.30 176.42 3d52 s ARG 818 N 1.39 4.28 -0.16 5.12 3.52 0.58 -4.99 118.95 128.68 3d52 s ARG 818 Ca -0.01 2.16 0.01 0.00 -0.13 0.00 0.00 55.73 57.76 3d52 s ARG 818 Cb -0.13 -3.30 0.01 0.00 -1.56 0.00 0.00 34.95 29.97 3d52 s ARG 818 CO -0.05 -0.53 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.23 3d52 s LEU 819 N 1.42 2.28 0.00 -0.88 1.43 -1.26 -4.90 118.68 116.76 3d52 s LEU 819 Ca 0.67 -0.57 0.30 0.00 -1.03 0.00 0.00 54.13 53.50 3d52 s LEU 819 Cb -0.38 -1.51 1.55 0.00 0.03 0.00 0.00 46.19 45.87 3d52 s LEU 819 CO 0.30 0.05 2.06 0.47 0.23 0.00 0.00 176.35 179.45 3d52 n ASP 820 N 4.31 0.00 0.00 2.29 8.00 -1.26 -1.74 116.55 128.15 3d52 n ASP 820 Ca -0.20 -0.25 0.13 0.00 0.71 0.00 0.00 54.79 55.18 3d52 n ASP 820 Cb 0.51 -0.25 0.56 0.00 -0.02 0.00 0.00 41.12 41.92 3d52 n ASP 820 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3d52 n LYS 821 N -1.25 0.00 -4.21 -1.24 2.85 -1.26 -4.76 118.16 108.30 3d52 n LYS 821 Ca 0.15 0.05 -0.30 0.00 -1.05 0.00 0.00 58.31 57.16 3d52 n LYS 821 Cb 0.22 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.01 3d52 n LYS 821 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3d52 s LEU 822 N -3.00 3.29 0.89 -5.58 1.43 -0.71 -4.97 118.68 110.03 3d52 s LEU 822 Ca 0.13 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 3d52 s LEU 822 Cb 0.17 -2.02 0.13 0.00 0.03 0.00 0.00 46.19 44.49 3d52 s LEU 822 CO 0.48 0.19 1.12 -2.16 0.23 0.00 0.00 176.35 176.21 3d52 s PRO 823 N -2.14 1.29 0.23 1.29 0.04 -1.26 -4.85 135.00 129.60 3d52 s PRO 823 Ca 0.23 0.43 -0.06 0.00 0.04 0.00 0.00 61.00 61.63 3d52 s PRO 823 Cb -0.11 -1.84 0.38 0.00 0.04 0.00 0.00 34.50 32.96 3d52 s PRO 823 CO 0.15 -2.12 1.74 1.25 0.04 0.00 0.00 177.00 178.06 3d52 h LEU 824 N -1.45 0.27 -1.70 -3.56 6.46 -1.97 -0.58 115.31 112.79 3d52 h LEU 824 Ca -0.50 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.33 3d52 h LEU 824 Cb 1.31 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.31 3d52 h LEU 824 CO 0.60 0.13 -0.09 0.06 -0.62 0.00 0.00 178.44 178.52 3d52 h GLN 825 N 0.45 0.00 0.00 1.25 -0.00 -1.92 -1.25 115.11 113.64 3d52 h GLN 825 Ca 0.37 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.98 3d52 h GLN 825 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.98 3d52 h GLN 825 CO -0.36 0.09 -0.18 0.00 -0.00 0.00 0.00 178.83 178.38 3d52 h ALA 826 N 1.91 0.94 -0.12 0.06 0.00 -1.45 -3.13 119.26 117.47 3d52 h ALA 826 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3d52 h ALA 826 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3d52 h ALA 826 CO 0.01 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.58 3d52 n ASN 827 N -3.23 1.41 -4.77 0.00 3.02 -0.48 -4.55 115.26 106.66 3d52 n ASN 827 Ca 0.02 -1.63 -0.39 0.00 -0.03 0.00 0.00 54.58 52.54 3d52 n ASN 827 Cb 0.49 -0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.53 3d52 n ASN 827 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3d52 s TYR 828 N -1.85 3.83 0.16 3.10 1.51 -1.18 -4.60 117.35 118.32 3d52 s TYR 828 Ca 0.33 1.50 0.03 0.00 -1.01 0.00 0.00 57.07 57.92 3d52 s TYR 828 Cb 0.17 -2.72 -0.05 0.00 -0.11 0.00 0.00 41.96 39.25 3d52 s TYR 828 CO 0.27 0.45 -0.05 0.71 -1.11 0.00 0.00 175.55 175.82 3d52 s TYR 829 N -0.78 1.22 0.34 2.71 2.02 0.06 -4.67 117.35 118.25 3d52 s TYR 829 Ca 0.35 -0.89 -0.29 0.00 -0.37 0.00 0.00 57.07 55.87 3d52 s TYR 829 Cb -0.21 -0.67 -0.10 0.00 -0.40 0.00 0.00 41.96 40.57 3d52 s TYR 829 CO 0.24 -0.07 1.34 -2.14 -1.57 0.00 0.00 175.55 173.34 3d52 s PRO 830 N -3.83 4.31 -0.71 -1.71 0.02 -1.26 -1.58 135.00 130.23 3d52 s PRO 830 Ca 0.20 2.28 0.05 0.00 0.02 0.00 0.00 61.00 63.54 3d52 s PRO 830 Cb 0.05 -3.05 0.20 0.00 0.02 0.00 0.00 34.50 31.71 3d52 s PRO 830 CO 0.02 -0.25 0.60 -0.89 -0.33 0.00 0.00 177.00 176.15 3d52 n ILE 831 N 0.75 1.99 0.22 2.83 2.08 0.16 -4.50 119.36 122.89 3d52 n ILE 831 Ca 0.00 -5.00 0.11 0.00 0.56 0.00 0.00 62.75 58.42 3d52 n ILE 831 Cb 0.41 -2.18 0.43 0.00 -0.75 0.00 0.00 39.64 37.55 3d52 n ILE 831 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 3d52 h PRO 832 N 5.12 0.00 0.00 0.38 0.13 -1.77 -2.51 132.00 133.34 3d52 h PRO 832 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3d52 h PRO 832 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3d52 h PRO 832 CO 0.77 0.20 0.00 -1.13 -0.23 0.00 0.00 178.00 177.60 3d52 n SER 833 N -3.30 0.00 0.00 1.44 3.41 -1.26 -4.05 113.62 109.85 3d52 n SER 833 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3d52 n SER 833 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3d52 n SER 833 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d52 n GLY 834 N 0.00 0.85 3.41 5.00 0.00 -1.26 -1.02 105.19 112.17 3d52 n GLY 834 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 3d52 n GLY 834 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3d52 s MET 835 N -2.00 1.00 0.07 1.61 0.23 -0.27 -1.68 119.30 118.27 3d52 s MET 835 Ca 0.00 -0.09 -0.12 0.00 -1.03 0.00 0.00 55.69 54.45 3d52 s MET 835 Cb 0.00 0.46 0.02 0.00 -1.53 0.00 0.00 34.83 33.78 3d52 s MET 835 CO 0.00 -0.34 0.28 -0.59 -2.03 0.00 0.00 175.02 172.34 3d52 s PHE 836 N -1.97 -0.03 0.15 3.16 -0.12 -0.03 -0.82 117.98 118.32 3d52 s PHE 836 Ca -0.08 -0.24 0.08 0.00 -0.05 0.00 0.00 56.93 56.64 3d52 s PHE 836 Cb -0.01 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.41 3d52 s PHE 836 CO 0.02 -0.55 -0.18 0.96 -0.05 0.00 0.00 175.22 175.42 3d52 s ILE 837 N -3.23 1.74 0.13 -4.49 -4.36 -0.73 -1.30 121.20 108.96 3d52 s ILE 837 Ca -0.00 -1.84 -0.17 0.00 -0.26 0.00 0.00 60.65 58.38 3d52 s ILE 837 Cb 0.02 -1.76 0.04 0.00 1.25 0.00 0.00 42.46 42.00 3d52 s ILE 837 CO -0.08 -0.29 0.43 -1.83 0.24 0.00 0.00 174.94 173.41 3d52 s GLU 838 N -2.66 1.10 0.00 0.37 -1.05 -1.26 -1.11 118.70 114.09 3d52 s GLU 838 Ca 0.14 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.29 3d52 s GLU 838 Cb -0.06 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 3d52 s GLU 838 CO 0.06 -0.44 0.00 -0.40 0.95 0.00 0.00 175.26 175.43 3d52 n ASP 839 N -0.24 1.22 -0.06 0.83 5.68 -0.25 -4.13 116.55 119.61 3d52 n ASP 839 Ca -0.16 -0.31 0.14 0.00 -0.50 0.00 0.00 54.79 53.96 3d52 n ASP 839 Cb 0.64 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 41.16 3d52 n ASP 839 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3d52 h ALA 840 N 1.00 2.12 0.00 2.12 0.00 -1.98 -3.32 119.26 119.20 3d52 h ALA 840 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3d52 h ALA 840 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3d52 h ALA 840 CO 0.00 -0.26 -1.36 0.09 0.00 0.00 0.00 179.25 177.72 3d52 n ASN 841 N -4.46 3.54 -4.02 0.00 3.02 -1.26 -3.51 115.26 108.57 3d52 n ASN 841 Ca 0.10 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.46 3d52 n ASN 841 Cb 0.42 0.88 -0.15 0.00 -0.61 0.00 0.00 39.78 40.32 3d52 n ASN 841 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3d52 s THR 842 N -2.25 0.71 0.04 3.41 2.01 -1.25 0.01 115.64 118.32 3d52 s THR 842 Ca -0.03 -0.38 0.07 0.00 0.31 0.00 0.00 61.69 61.67 3d52 s THR 842 Cb 0.03 -0.60 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 3d52 s THR 842 CO 0.25 0.20 -0.21 -0.60 -0.69 0.00 0.00 174.62 173.58 3d52 s ARG 843 N -0.16 1.42 -0.14 4.92 3.52 0.21 -1.09 118.95 127.63 3d52 s ARG 843 Ca 0.03 -0.92 0.00 0.00 -0.13 0.00 0.00 55.73 54.71 3d52 s ARG 843 Cb -0.04 -1.52 0.02 0.00 -1.56 0.00 0.00 34.95 31.86 3d52 s ARG 843 CO -0.00 0.39 -0.12 -1.17 -0.81 0.00 0.00 175.30 173.58 3d52 s LEU 844 N -1.10 1.60 -0.10 -0.88 2.96 -0.27 -1.17 118.68 119.73 3d52 s LEU 844 Ca 0.07 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 3d52 s LEU 844 Cb -0.09 -1.11 -0.02 0.00 0.50 0.00 0.00 46.19 45.48 3d52 s LEU 844 CO 0.01 -0.08 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.95 3d52 s THR 845 N 1.53 3.07 -0.25 3.68 2.01 0.18 -1.78 115.64 124.08 3d52 s THR 845 Ca 0.05 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 3d52 s THR 845 Cb -0.13 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.16 3d52 s THR 845 CO -0.10 0.55 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.10 3d52 s LEU 846 N -0.09 3.28 -0.04 4.42 2.96 -0.00 -0.69 118.68 128.52 3d52 s LEU 846 Ca -0.02 -0.95 -0.07 0.00 -0.22 0.00 0.00 54.13 52.88 3d52 s LEU 846 Cb -0.14 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 3d52 s LEU 846 CO 0.04 -0.15 0.22 -0.76 -1.32 0.00 0.00 176.35 174.38 3d52 s LEU 847 N 1.30 4.39 0.06 -0.68 2.01 -0.09 -1.11 118.68 124.56 3d52 s LEU 847 Ca -0.01 0.52 0.09 0.00 0.01 0.00 0.00 54.13 54.74 3d52 s LEU 847 Cb -0.17 -2.46 -0.03 0.00 0.01 0.00 0.00 46.19 43.53 3d52 s LEU 847 CO -0.04 0.31 -0.22 0.42 1.01 0.00 0.00 176.35 177.83 3d52 s THR 848 N -1.20 2.50 -1.90 5.49 -4.23 -0.19 -1.41 115.64 114.70 3d52 s THR 848 Ca 0.23 -1.38 0.15 0.00 -1.18 0.00 0.00 61.69 59.51 3d52 s THR 848 Cb -0.13 -2.05 0.45 0.00 1.34 0.00 0.00 72.50 72.12 3d52 s THR 848 CO 0.12 0.28 1.37 0.61 -0.54 0.00 0.00 174.62 176.47 3d52 n GLY 849 N 1.44 1.45 3.58 3.99 0.00 0.10 -4.70 105.19 111.04 3d52 n GLY 849 Ca -0.17 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 3d52 n GLY 849 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3d52 s GLN 850 N -1.38 0.88 0.23 1.61 0.00 -1.26 -4.75 119.66 114.98 3d52 s GLN 850 Ca 0.34 0.54 -0.30 0.00 -0.00 0.00 0.00 55.36 55.94 3d52 s GLN 850 Cb 0.18 0.42 -0.09 0.00 0.00 0.00 0.00 33.01 33.53 3d52 s GLN 850 CO 0.22 -0.21 1.16 -1.25 0.00 0.00 0.00 175.29 175.22 3d52 s PRO 851 N -0.51 4.54 0.25 9.60 0.04 -1.26 -4.75 135.00 142.92 3d52 s PRO 851 Ca -0.05 1.86 -0.06 0.00 0.04 0.00 0.00 61.00 62.80 3d52 s PRO 851 Cb -0.02 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 3d52 s PRO 851 CO 0.04 0.02 0.34 -0.51 0.04 0.00 0.00 177.00 176.93 3d52 s LEU 852 N -0.77 0.80 0.21 -3.56 1.43 -0.95 -4.76 118.68 111.09 3d52 s LEU 852 Ca 0.49 -1.23 -0.05 0.00 -1.03 0.00 0.00 54.13 52.31 3d52 s LEU 852 Cb -0.33 1.16 -0.06 0.00 0.03 0.00 0.00 46.19 46.99 3d52 s LEU 852 CO 0.39 -1.05 0.46 -0.83 0.23 0.00 0.00 176.35 175.55 3d52 s GLY 853 N -3.12 2.10 0.15 -3.19 0.00 -0.99 0.36 107.32 102.62 3d52 s GLY 853 Ca 0.31 -0.52 -0.24 0.00 0.00 0.00 0.00 44.72 44.26 3d52 s GLY 853 CO 0.13 -0.43 1.05 -0.32 0.00 0.00 0.00 173.10 173.53 3d52 s GLY 854 N -2.69 -0.08 0.33 0.20 0.00 -0.62 -0.42 107.32 104.05 3d52 s GLY 854 Ca 0.43 -0.05 -0.17 0.00 0.00 0.00 0.00 44.72 44.93 3d52 s GLY 854 CO 0.26 1.40 0.87 -0.45 0.00 0.00 0.00 173.10 175.17 3d52 s SER 855 N -3.21 0.02 -0.28 1.64 0.15 -0.58 -0.76 113.70 110.69 3d52 s SER 855 Ca 0.18 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 55.79 3d52 s SER 855 Cb -0.01 0.75 0.08 0.00 -1.71 0.00 0.00 66.02 65.13 3d52 s SER 855 CO 0.03 -1.50 0.04 -0.55 1.20 0.00 0.00 173.24 172.46 3d52 s SER 856 N -3.19 3.97 0.00 5.45 0.15 -1.26 -0.94 113.70 117.88 3d52 s SER 856 Ca 0.18 -1.49 0.26 0.00 0.70 0.00 0.00 55.95 55.60 3d52 s SER 856 Cb -0.04 -1.06 0.74 0.00 -1.71 0.00 0.00 66.02 63.95 3d52 s SER 856 CO 0.10 -0.34 1.56 0.18 1.20 0.00 0.00 173.24 175.94 3d52 n LEU 857 N 4.71 0.92 -3.56 3.45 4.77 -1.26 -4.82 117.00 121.21 3d52 n LEU 857 Ca -0.05 -0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 55.61 3d52 n LEU 857 Cb 0.43 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 3d52 n LEU 857 CO 0.15 0.18 0.25 0.00 -1.33 0.00 0.00 177.39 176.64 3d52 s ALA 858 N -2.57 -1.19 0.19 -1.18 0.00 -1.26 -5.09 121.76 110.65 3d52 s ALA 858 Ca 0.23 0.22 -0.33 0.00 0.00 0.00 0.00 51.96 52.07 3d52 s ALA 858 Cb 0.19 0.69 -0.14 0.00 0.00 0.00 0.00 23.12 23.86 3d52 s ALA 858 CO 0.54 -0.65 1.47 0.45 0.00 0.00 0.00 175.76 177.57 3d52 n SER 859 N -0.15 2.74 0.00 0.00 2.88 -1.18 -1.42 113.62 116.48 3d52 n SER 859 Ca -0.17 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 3d52 n SER 859 Cb 0.63 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 3d52 n SER 859 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d52 n GLY 860 N 2.77 0.91 3.71 0.46 0.00 -1.00 -4.87 105.19 107.17 3d52 n GLY 860 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3d52 n GLY 860 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d52 s GLU 861 N -0.16 2.76 0.00 1.61 2.02 -0.51 -1.02 118.70 123.40 3d52 s GLU 861 Ca 0.00 -0.68 0.05 0.00 0.02 0.00 0.00 54.97 54.36 3d52 s GLU 861 Cb 0.00 -2.66 -0.01 0.00 0.10 0.00 0.00 34.13 31.56 3d52 s GLU 861 CO 0.00 0.59 -0.15 -0.51 0.02 0.00 0.00 175.26 175.22 3d52 s LEU 862 N -1.94 2.06 0.01 1.80 1.43 -0.52 -4.43 118.68 117.09 3d52 s LEU 862 Ca 0.23 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 3d52 s LEU 862 Cb -0.12 -0.73 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 3d52 s LEU 862 CO 0.15 0.15 0.03 -1.83 0.23 0.00 0.00 176.35 175.08 3d52 s GLU 863 N -0.52 0.36 -0.07 1.70 -1.05 -0.12 0.05 118.70 119.05 3d52 s GLU 863 Ca 0.05 -0.52 -0.03 0.00 -0.15 0.00 0.00 54.97 54.32 3d52 s GLU 863 Cb -0.06 0.14 0.04 0.00 -0.44 0.00 0.00 34.13 33.81 3d52 s GLU 863 CO -0.00 -0.07 0.16 -1.50 0.95 0.00 0.00 175.26 174.79 3d52 s ILE 864 N -1.39 -0.07 0.32 1.83 2.07 0.49 -1.52 121.20 122.93 3d52 s ILE 864 Ca -0.15 0.19 -0.28 0.00 -1.41 0.00 0.00 60.65 59.00 3d52 s ILE 864 Cb -0.09 -0.26 -0.09 0.00 0.13 0.00 0.00 42.46 42.15 3d52 s ILE 864 CO -0.00 0.08 1.13 -0.32 -1.91 0.00 0.00 174.94 173.92 3d52 s MET 865 N 1.29 4.44 -0.25 3.50 -2.45 0.45 -1.23 119.30 125.05 3d52 s MET 865 Ca -0.08 1.82 -0.08 0.00 -1.25 0.00 0.00 55.69 56.11 3d52 s MET 865 Cb -0.12 -3.00 -0.13 0.00 1.25 0.00 0.00 34.83 32.84 3d52 s MET 865 CO -0.06 0.03 -0.29 1.04 1.05 0.00 0.00 175.02 176.78 3d52 n GLN 866 N 0.78 0.56 -3.68 4.11 1.13 0.10 -4.50 117.38 115.89 3d52 n GLN 866 Ca 0.01 0.20 -0.07 0.00 -1.94 0.00 0.00 57.00 55.20 3d52 n GLN 866 Cb 0.45 -1.44 -0.02 0.00 0.11 0.00 0.00 30.24 29.35 3d52 n GLN 866 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3d52 s ASP 867 N -6.96 -0.31 -0.12 1.08 -1.08 -1.20 -4.83 116.67 103.24 3d52 s ASP 867 Ca -0.35 -0.32 -0.09 0.00 -0.52 0.00 0.00 52.55 51.28 3d52 s ASP 867 Cb 0.12 0.57 0.04 0.00 -1.46 0.00 0.00 42.92 42.19 3d52 s ASP 867 CO 0.49 -1.01 0.31 0.00 0.52 0.00 0.00 175.17 175.47 3d52 s ARG 868 N -3.56 0.31 -0.18 4.34 1.70 -1.26 -1.42 118.95 118.88 3d52 s ARG 868 Ca 0.08 0.54 0.01 0.00 -0.47 0.00 0.00 55.73 55.89 3d52 s ARG 868 Cb -0.03 0.03 0.04 0.00 -0.57 0.00 0.00 34.95 34.42 3d52 s ARG 868 CO -0.01 -0.11 -0.10 0.50 -1.08 0.00 0.00 175.30 174.50 3d52 s ARG 869 N 0.79 2.01 -0.11 3.89 3.52 0.08 -4.85 118.95 124.28 3d52 s ARG 869 Ca -0.05 -0.75 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 3d52 s ARG 869 Cb -0.06 -2.30 0.02 0.00 -1.56 0.00 0.00 34.95 31.04 3d52 s ARG 869 CO -0.05 -0.39 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.41 3d52 s LEU 870 N 1.44 1.57 0.00 -0.88 1.43 -0.15 0.20 118.68 122.30 3d52 s LEU 870 Ca 0.00 -0.39 0.26 0.00 -1.03 0.00 0.00 54.13 52.97 3d52 s LEU 870 Cb -0.15 -1.01 0.73 0.00 0.03 0.00 0.00 46.19 45.78 3d52 s LEU 870 CO -0.09 -0.03 1.56 0.00 0.23 0.00 0.00 176.35 178.02 3d52 n ALA 871 N 4.45 2.75 -2.55 4.21 0.00 -1.26 -0.25 120.51 127.85 3d52 n ALA 871 Ca -0.18 -0.50 -0.26 0.00 0.00 0.00 0.00 53.44 52.50 3d52 n ALA 871 Cb 0.51 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 3d52 n ALA 871 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3d52 s SER 872 N -2.15 4.12 0.42 0.00 0.01 -1.26 -4.52 113.70 110.32 3d52 s SER 872 Ca 0.31 -0.65 -0.23 0.00 1.31 0.00 0.00 55.95 56.69 3d52 s SER 872 Cb 0.20 -0.64 -0.09 0.00 0.21 0.00 0.00 66.02 65.70 3d52 s SER 872 CO 0.39 0.09 1.02 -0.62 0.41 0.00 0.00 173.24 174.53 3d52 s ASP 873 N -2.91 6.75 -0.25 2.44 2.15 -1.26 -3.81 116.67 119.78 3d52 s ASP 873 Ca 0.25 1.92 0.12 0.00 0.43 0.00 0.00 52.55 55.28 3d52 s ASP 873 Cb -0.08 -2.57 0.57 0.00 -0.30 0.00 0.00 42.92 40.54 3d52 s ASP 873 CO 0.15 -0.49 1.53 -0.90 -0.17 0.00 0.00 175.17 175.29 3d52 n ASP 874 N -0.33 3.63 -1.90 -0.34 5.75 -1.26 -4.77 116.55 117.33 3d52 n ASP 874 Ca 0.06 -3.32 -0.16 0.00 -0.01 0.00 0.00 54.79 51.35 3d52 n ASP 874 Cb 0.51 -0.63 -0.00 0.00 -1.03 0.00 0.00 41.12 39.97 3d52 n ASP 874 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3d52 n GLU 875 N -0.66 -1.59 -0.24 0.11 1.02 -1.26 -4.88 120.64 113.13 3d52 n GLU 875 Ca 0.31 0.77 0.09 0.00 -0.02 0.00 0.00 57.16 58.30 3d52 n GLU 875 Cb 1.07 -5.17 0.19 0.00 -0.02 0.00 0.00 31.44 27.51 3d52 n GLU 875 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3d52 n ARG 876 N -2.64 2.23 0.00 3.49 5.12 -1.26 -4.99 116.66 118.61 3d52 n ARG 876 Ca -0.18 -2.60 0.00 0.00 -1.93 0.00 0.00 57.85 53.14 3d52 n ARG 876 Cb 0.64 -1.61 0.00 0.00 -1.16 0.00 0.00 32.46 30.33 3d52 n ARG 876 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3d52 n GLY 877 N -0.84 0.97 0.28 -0.13 0.00 -1.26 -4.95 105.19 99.26 3d52 n GLY 877 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 3d52 n GLY 877 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3d52 h LEU 878 N 0.00 0.87 2.23 0.99 5.85 -1.94 -3.48 115.31 119.83 3d52 h LEU 878 Ca 0.00 -0.29 -0.33 0.00 0.84 0.00 0.00 57.88 58.10 3d52 h LEU 878 Cb 0.00 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3d52 h LEU 878 CO 0.00 1.01 -0.43 0.61 -0.34 0.00 0.00 178.44 179.29 3d52 n GLY 879 N -0.32 -0.31 3.47 3.75 0.00 -1.26 -4.89 105.19 105.64 3d52 n GLY 879 Ca 0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3d52 n GLY 879 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3d52 s GLN 880 N -4.88 1.24 0.00 1.61 -2.07 -1.26 -4.98 119.66 109.32 3d52 s GLN 880 Ca 0.02 -0.48 0.00 0.00 -1.82 0.00 0.00 55.36 53.08 3d52 s GLN 880 Cb -0.01 0.55 0.00 0.00 -1.09 0.00 0.00 33.01 32.46 3d52 s GLN 880 CO 0.02 -0.55 0.00 0.41 -1.32 0.00 0.00 175.29 173.86 3d52 n GLY 881 N -0.36 0.15 2.99 2.60 0.00 -1.25 -4.18 105.19 105.14 3d52 n GLY 881 Ca -0.14 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 3d52 n GLY 881 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d52 s VAL 882 N 0.62 2.11 -0.04 1.61 1.01 0.65 -4.86 120.40 121.50 3d52 s VAL 882 Ca 0.00 -2.18 0.06 0.00 0.00 0.00 0.00 61.98 59.86 3d52 s VAL 882 Cb 0.00 -2.54 0.10 0.00 0.00 0.00 0.00 36.38 33.94 3d52 s VAL 882 CO 0.00 -0.56 1.03 0.18 0.00 0.00 0.00 175.10 175.75 3d52 n LEU 883 N 4.33 0.81 -0.98 3.92 4.77 -1.26 -0.97 117.00 127.62 3d52 n LEU 883 Ca 0.02 -1.67 -0.01 0.00 -0.03 0.00 0.00 56.01 54.32 3d52 n LEU 883 Cb 0.42 -0.14 0.20 0.00 -2.33 0.00 0.00 43.42 41.57 3d52 n LEU 883 CO 0.21 0.40 0.61 -0.90 -1.33 0.00 0.00 177.39 176.38 3d52 n ASP 884 N -0.48 2.38 -4.71 -1.43 5.68 -1.26 -5.05 116.55 111.68 3d52 n ASP 884 Ca 0.05 -3.74 -0.38 0.00 -0.50 0.00 0.00 54.79 50.22 3d52 n ASP 884 Cb 0.67 -0.60 0.05 0.00 -1.14 0.00 0.00 41.12 40.09 3d52 n ASP 884 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3d52 n ASN 885 N -1.10 2.13 -3.98 -1.12 4.13 -1.26 -5.04 115.26 109.02 3d52 n ASN 885 Ca 0.29 0.93 -0.09 0.00 1.68 0.00 0.00 54.58 57.39 3d52 n ASN 885 Cb 0.94 -1.52 -0.10 0.00 -1.54 0.00 0.00 39.78 37.56 3d52 n ASN 885 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 3d52 s LYS 886 N -2.84 0.49 0.26 3.52 -2.85 -1.26 -4.97 119.74 112.10 3d52 s LYS 886 Ca 0.73 -0.79 -0.31 0.00 -1.00 0.00 0.00 55.97 54.61 3d52 s LYS 886 Cb -0.43 0.18 -0.13 0.00 -2.06 0.00 0.00 37.83 35.40 3d52 s LYS 886 CO 0.48 -0.10 1.43 -2.30 0.10 0.00 0.00 175.35 174.96 3d52 n PRO 887 N 0.94 2.16 -4.21 1.78 -0.02 -1.26 -4.79 135.00 129.60 3d52 n PRO 887 Ca -0.20 0.77 -0.16 0.00 -2.02 0.00 0.00 63.50 61.89 3d52 n PRO 887 Cb 0.58 -2.44 -0.14 0.00 -0.02 0.00 0.00 33.50 31.48 3d52 n PRO 887 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3d52 s VAL 888 N -0.16 0.58 -0.51 -1.45 0.11 -0.81 -4.92 120.40 113.25 3d52 s VAL 888 Ca 0.66 -0.52 -0.15 0.00 -2.93 0.00 0.00 61.98 59.04 3d52 s VAL 888 Cb -0.61 -0.53 0.11 0.00 -1.53 0.00 0.00 36.38 33.81 3d52 s VAL 888 CO 0.51 0.02 0.44 -0.22 -3.33 0.00 0.00 175.10 172.52 3d52 s LEU 889 N -0.55 5.92 0.21 2.54 2.96 -1.26 -0.84 118.68 127.66 3d52 s LEU 889 Ca -0.00 -1.65 -0.22 0.00 -0.22 0.00 0.00 54.13 52.04 3d52 s LEU 889 Cb -0.05 -2.17 -0.08 0.00 0.50 0.00 0.00 46.19 44.39 3d52 s LEU 889 CO 0.00 -0.76 0.76 -1.00 -1.32 0.00 0.00 176.35 174.03 3d52 s HIS 890 N 1.58 3.74 0.06 5.38 3.76 0.15 -4.92 115.29 125.03 3d52 s HIS 890 Ca 0.04 1.50 0.07 0.00 -0.15 0.00 0.00 55.06 56.51 3d52 s HIS 890 Cb -0.28 -2.69 -0.03 0.00 1.11 0.00 0.00 32.58 30.70 3d52 s HIS 890 CO 0.04 0.38 -0.19 0.96 -0.85 0.00 0.00 174.74 175.08 3d52 s ILE 891 N -1.41 1.55 0.16 0.60 -4.36 -1.26 -0.97 121.20 115.50 3d52 s ILE 891 Ca 0.41 -1.23 -0.08 0.00 -0.26 0.00 0.00 60.65 59.49 3d52 s ILE 891 Cb -0.19 -1.37 -0.01 0.00 1.25 0.00 0.00 42.46 42.14 3d52 s ILE 891 CO 0.23 0.10 0.25 -0.31 0.24 0.00 0.00 174.94 175.44 3d52 s TYR 892 N -0.90 0.45 0.01 1.37 1.51 0.39 -0.72 117.35 119.47 3d52 s TYR 892 Ca 0.06 -0.82 0.06 0.00 -1.01 0.00 0.00 57.07 55.36 3d52 s TYR 892 Cb -0.09 -0.12 -0.02 0.00 -0.11 0.00 0.00 41.96 41.63 3d52 s TYR 892 CO 0.02 -0.68 -0.19 1.03 -1.11 0.00 0.00 175.55 174.62 3d52 s ARG 893 N -3.97 1.37 -0.20 -0.62 1.81 -0.50 -1.18 118.95 115.65 3d52 s ARG 893 Ca 0.18 -0.77 0.01 0.00 -1.72 0.00 0.00 55.73 53.43 3d52 s ARG 893 Cb 0.04 -1.39 0.04 0.00 -0.45 0.00 0.00 34.95 33.19 3d52 s ARG 893 CO -0.00 0.37 -0.15 -1.17 -0.68 0.00 0.00 175.30 173.66 3d52 s LEU 894 N -0.79 2.48 -0.24 2.53 2.96 -0.69 -0.92 118.68 124.01 3d52 s LEU 894 Ca 0.06 -0.88 0.00 0.00 -0.22 0.00 0.00 54.13 53.09 3d52 s LEU 894 Cb -0.08 -1.43 0.04 0.00 0.50 0.00 0.00 46.19 45.22 3d52 s LEU 894 CO 0.00 -0.08 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.17 3d52 s VAL 895 N 1.27 2.55 -0.17 1.68 1.01 0.13 -3.42 120.40 123.46 3d52 s VAL 895 Ca 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 60.74 3d52 s VAL 895 Cb -0.15 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 3d52 s VAL 895 CO -0.10 0.18 -0.01 -0.22 0.00 0.00 0.00 175.10 174.95 3d52 s LEU 896 N 1.26 3.35 0.02 3.92 2.96 -1.26 -0.64 118.68 128.28 3d52 s LEU 896 Ca -0.02 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 3d52 s LEU 896 Cb -0.17 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 3d52 s LEU 896 CO -0.06 0.16 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.49 3d52 s GLU 897 N 0.44 0.25 -0.06 1.98 2.02 -0.32 -5.01 118.70 118.01 3d52 s GLU 897 Ca -0.02 -0.44 -0.30 0.00 0.02 0.00 0.00 54.97 54.23 3d52 s GLU 897 Cb -0.14 0.02 -0.02 0.00 0.10 0.00 0.00 34.13 34.09 3d52 s GLU 897 CO 0.02 -0.02 1.02 0.15 0.02 0.00 0.00 175.26 176.45 3d52 s LYS 898 N -1.01 4.46 0.00 1.61 -0.14 -1.26 -0.62 119.74 122.79 3d52 s LYS 898 Ca -0.10 1.44 0.00 0.00 -1.36 0.00 0.00 55.97 55.95 3d52 s LYS 898 Cb -0.07 -3.51 0.00 0.00 -1.68 0.00 0.00 37.83 32.57 3d52 s LYS 898 CO -0.01 -0.23 0.71 1.33 -0.76 0.00 0.00 175.35 176.40 3d52 n VAL 899 N 4.31 0.47 0.26 3.17 0.24 0.10 -4.73 118.33 122.15 3d52 n VAL 899 Ca 0.08 -0.49 0.13 0.00 -2.04 0.00 0.00 64.34 62.01 3d52 n VAL 899 Cb 0.49 0.81 0.70 0.00 -1.47 0.00 0.00 33.84 34.37 3d52 n VAL 899 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3d52 h ASN 900 N 0.00 0.00 0.40 -1.34 -1.07 -1.59 -1.42 115.58 110.55 3d52 h ASN 900 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3d52 h ASN 900 Cb 0.70 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.95 3d52 h ASN 900 CO 0.00 0.13 -0.28 0.59 0.07 0.00 0.00 177.43 177.93 3d52 n ASN 901 N -3.59 0.68 -4.75 6.14 3.02 -1.26 -4.92 115.26 110.57 3d52 n ASN 901 Ca -0.02 -0.53 -0.40 0.00 -0.03 0.00 0.00 54.58 53.60 3d52 n ASN 901 Cb 0.26 0.08 -0.05 0.00 -0.61 0.00 0.00 39.78 39.46 3d52 n ASN 901 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d52 s VAL 903 N -1.10 4.14 0.27 0.00 1.01 0.35 -4.99 120.40 120.07 3d52 s VAL 903 Ca 0.43 0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.75 3d52 s VAL 903 Cb -0.28 -4.70 -0.04 0.00 0.00 0.00 0.00 36.38 31.36 3d52 s VAL 903 CO 0.35 -1.42 0.20 -0.13 0.00 0.00 0.00 175.10 174.09 3d52 s ARG 904 N 4.60 2.84 0.80 2.72 0.52 -1.26 -4.41 118.95 124.77 3d52 s ARG 904 Ca 0.32 -1.12 -0.13 0.00 -0.52 0.00 0.00 55.73 54.27 3d52 s ARG 904 Cb -0.12 -2.52 0.08 0.00 0.52 0.00 0.00 34.95 32.92 3d52 s ARG 904 CO 0.17 0.35 1.19 -2.14 0.02 0.00 0.00 175.30 174.89 3d52 s PRO 905 N -3.85 1.70 1.12 3.54 0.02 -1.26 -4.92 135.00 131.35 3d52 s PRO 905 Ca 0.34 1.71 -0.16 0.00 0.02 0.00 0.00 61.00 62.90 3d52 s PRO 905 Cb -0.07 -1.79 0.25 0.00 0.02 0.00 0.00 34.50 32.90 3d52 s PRO 905 CO 0.25 -2.16 1.11 -1.54 -0.33 0.00 0.00 177.00 174.33 3d52 s SER 906 N -2.24 1.66 0.41 2.53 1.04 -1.26 -4.89 113.70 110.95 3d52 s SER 906 Ca 0.72 0.81 0.08 0.00 0.48 0.00 0.00 55.95 58.05 3d52 s SER 906 Cb -0.28 -1.21 0.87 0.00 0.10 0.00 0.00 66.02 65.50 3d52 s SER 906 CO 0.50 -3.69 2.03 0.50 0.98 0.00 0.00 173.24 173.57 3d52 h LYS 907 N -2.28 0.43 -0.02 4.02 3.64 -2.00 -0.86 116.57 119.51 3d52 h LYS 907 Ca -0.49 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3d52 h LYS 907 Cb 1.31 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3d52 h LYS 907 CO 0.44 0.34 -0.06 1.28 -2.27 0.00 0.00 179.45 179.17 3d52 n LEU 908 N -4.43 1.58 -4.74 5.20 4.77 -1.26 -4.89 117.00 113.23 3d52 n LEU 908 Ca 0.02 -0.51 -0.41 0.00 -0.03 0.00 0.00 56.01 55.07 3d52 n LEU 908 Cb 0.11 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3d52 n LEU 908 CO 0.36 0.27 0.76 -2.28 -1.33 0.00 0.00 177.39 175.16 3d52 s HIS 909 N -2.11 3.66 -1.52 -1.77 2.46 -0.33 -4.95 115.29 110.74 3d52 s HIS 909 Ca 0.34 1.66 0.29 0.00 0.47 0.00 0.00 55.06 57.82 3d52 s HIS 909 Cb 0.20 -3.21 1.32 0.00 -0.13 0.00 0.00 32.58 30.77 3d52 s HIS 909 CO 0.37 -0.37 1.93 -0.35 -2.47 0.00 0.00 174.74 173.86 3d52 n PRO 910 N 2.38 0.54 -3.99 2.88 -0.04 -1.26 -4.89 135.00 130.61 3d52 n PRO 910 Ca 0.02 -0.12 -0.22 0.00 -0.04 0.00 0.00 63.50 63.14 3d52 n PRO 910 Cb 0.47 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 3d52 n PRO 910 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d52 s ALA 911 N -2.55 3.67 0.22 0.55 0.00 -1.26 -0.59 121.76 121.79 3d52 s ALA 911 Ca 0.28 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 50.72 3d52 s ALA 911 Cb 0.20 -1.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 3d52 s ALA 911 CO 0.48 0.14 -0.02 0.20 0.00 0.00 0.00 175.76 176.55 3d52 s GLY 912 N -3.90 1.50 0.00 0.00 0.00 -0.85 -4.70 107.32 99.36 3d52 s GLY 912 Ca 0.36 -1.73 0.01 0.00 0.00 0.00 0.00 44.72 43.36 3d52 s GLY 912 CO 0.25 -1.67 -0.02 -0.19 0.00 0.00 0.00 173.10 171.47 3d52 s TYR 913 N -3.37 0.18 0.76 1.90 2.02 -1.26 -3.95 117.35 113.63 3d52 s TYR 913 Ca 0.27 -0.07 -0.11 0.00 -0.37 0.00 0.00 57.07 56.78 3d52 s TYR 913 Cb 0.05 -0.11 0.05 0.00 -0.40 0.00 0.00 41.96 41.55 3d52 s TYR 913 CO 0.08 -0.02 1.10 -0.51 -1.57 0.00 0.00 175.55 174.63 3d52 s LEU 914 N -0.16 3.09 0.69 -1.29 1.43 -1.26 -4.63 118.68 116.55 3d52 s LEU 914 Ca -0.01 1.90 -0.10 0.00 -1.03 0.00 0.00 54.13 54.90 3d52 s LEU 914 Cb -0.01 -4.53 0.03 0.00 0.03 0.00 0.00 46.19 41.70 3d52 s LEU 914 CO -0.00 -2.05 1.05 0.42 0.23 0.00 0.00 176.35 176.00 3d52 s THR 915 N -2.75 3.20 0.17 5.49 -4.23 -1.26 -0.52 115.64 115.74 3d52 s THR 915 Ca 0.63 0.21 -0.14 0.00 -1.18 0.00 0.00 61.69 61.21 3d52 s THR 915 Cb -0.18 -3.36 0.08 0.00 1.34 0.00 0.00 72.50 70.38 3d52 s THR 915 CO 0.53 -0.44 1.72 -1.28 -0.54 0.00 0.00 174.62 174.61 3d52 h SER 916 N -0.58 -0.03 -0.72 3.99 0.87 -1.94 -0.47 113.55 114.67 3d52 h SER 916 Ca -0.45 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.22 3d52 h SER 916 Cb 1.27 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 63.31 3d52 h SER 916 CO 0.63 0.02 0.46 0.00 -0.53 0.00 0.00 176.83 177.40 3d52 h ALA 917 N 1.35 0.94 -0.35 6.23 0.00 -1.99 0.41 119.26 125.85 3d52 h ALA 917 Ca 0.22 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 3d52 h ALA 917 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3d52 h ALA 917 CO -0.30 0.25 -0.26 0.00 0.00 0.00 0.00 179.25 178.93 3d52 h ALA 918 N 1.30 0.87 -0.42 0.00 0.00 -1.84 -0.49 119.26 118.69 3d52 h ALA 918 Ca 0.29 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3d52 h ALA 918 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3d52 h ALA 918 CO -0.10 0.63 0.07 1.25 0.00 0.00 0.00 179.25 181.10 3d52 h HIS 919 N 0.63 0.73 -0.69 0.00 2.76 -0.48 0.16 115.15 118.26 3d52 h HIS 919 Ca 0.08 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 3d52 h HIS 919 Cb 0.77 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 3d52 h HIS 919 CO 0.04 0.71 0.33 0.87 -1.30 0.00 0.00 177.93 178.58 3d52 h LYS 920 N 0.54 0.97 -0.48 5.26 1.57 -0.83 -0.82 116.57 122.79 3d52 h LYS 920 Ca 0.13 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3d52 h LYS 920 Cb 0.37 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3d52 h LYS 920 CO 0.01 0.75 0.05 0.00 -0.57 0.00 0.00 179.45 179.69 3d52 h ALA 921 N 1.39 0.64 -0.35 3.86 0.00 -0.62 -0.81 119.26 123.37 3d52 h ALA 921 Ca 0.24 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3d52 h ALA 921 Cb 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3d52 h ALA 921 CO -0.03 0.39 0.18 1.03 0.00 0.00 0.00 179.25 180.82 3d52 h SER 922 N 0.67 0.27 -0.41 0.00 0.87 -0.43 -2.37 113.55 112.15 3d52 h SER 922 Ca 0.14 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.75 3d52 h SER 922 Cb 0.43 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3d52 h SER 922 CO 0.01 0.20 0.28 1.56 -0.53 0.00 0.00 176.83 178.35 3d52 h GLN 923 N 0.37 0.41 0.00 2.24 4.20 -0.78 -1.00 115.11 120.55 3d52 h GLN 923 Ca 0.15 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 3d52 h GLN 923 Cb 0.05 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3d52 h GLN 923 CO -0.10 0.27 -0.30 0.66 -0.67 0.00 0.00 178.83 178.70 3d52 h SER 924 N 0.42 0.00 0.06 1.46 4.64 -0.62 0.90 113.55 120.41 3d52 h SER 924 Ca 0.17 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.34 3d52 h SER 924 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3d52 h SER 924 CO -0.04 0.30 -0.77 -0.07 -0.87 0.00 0.00 176.83 175.38 3d52 h LEU 925 N 0.00 0.20 0.09 5.97 3.38 -1.15 -3.34 115.31 120.47 3d52 h LEU 925 Ca -0.00 -0.86 -0.30 0.00 0.09 0.00 0.00 57.88 56.80 3d52 h LEU 925 Cb 0.56 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3d52 h LEU 925 CO 0.04 1.33 -1.56 -0.07 0.09 0.00 0.00 178.44 178.27 3d52 h LEU 926 N -0.68 0.29 -6.04 1.67 3.38 -1.09 -3.40 115.31 109.44 3d52 h LEU 926 Ca -0.17 -0.44 -0.57 0.00 0.09 0.00 0.00 57.88 56.79 3d52 h LEU 926 Cb 1.39 -0.10 -0.40 0.00 0.09 0.00 0.00 40.66 41.65 3d52 h LEU 926 CO 0.01 1.37 -0.99 0.47 0.09 0.00 0.00 178.44 179.40 3d52 n ASP 927 N -3.38 1.04 -4.69 -0.43 8.00 0.30 -4.60 116.55 112.80 3d52 n ASP 927 Ca -0.16 -2.88 -0.29 0.00 0.71 0.00 0.00 54.79 52.17 3d52 n ASP 927 Cb 1.04 -0.65 0.16 0.00 -0.02 0.00 0.00 41.12 41.66 3d52 n ASP 927 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3d52 s PRO 928 N -1.53 0.68 0.55 -0.24 0.04 -1.24 -4.68 135.00 128.58 3d52 s PRO 928 Ca 0.36 0.64 -0.22 0.00 0.04 0.00 0.00 61.00 61.83 3d52 s PRO 928 Cb 0.17 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.91 3d52 s PRO 928 CO -0.09 -2.59 1.37 1.28 0.04 0.00 0.00 177.00 177.01 3d52 n LEU 929 N -4.10 5.62 -4.86 -3.56 4.77 -1.26 -4.77 117.00 108.83 3d52 n LEU 929 Ca 0.06 0.98 -0.36 0.00 -0.03 0.00 0.00 56.01 56.66 3d52 n LEU 929 Cb 0.56 -1.58 -0.06 0.00 -2.33 0.00 0.00 43.42 40.01 3d52 n LEU 929 CO 0.57 -0.55 0.07 -1.81 -1.33 0.00 0.00 177.39 174.33 3d52 s ASP 930 N -0.91 6.68 -0.07 -1.43 1.01 -0.21 -4.90 116.67 116.83 3d52 s ASP 930 Ca 0.72 0.82 0.05 0.00 0.71 0.00 0.00 52.55 54.85 3d52 s ASP 930 Cb -0.41 -2.19 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 3d52 s ASP 930 CO 0.49 0.24 -0.23 -0.54 0.21 0.00 0.00 175.17 175.34 3d52 s LYS 931 N -1.58 2.52 -0.03 8.23 1.02 -1.26 -0.72 119.74 127.92 3d52 s LYS 931 Ca 0.29 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.48 3d52 s LYS 931 Cb -0.15 -2.08 -0.01 0.00 -0.52 0.00 0.00 37.83 35.08 3d52 s LYS 931 CO 0.16 0.30 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.67 3d52 s PHE 932 N 0.01 1.50 -0.17 3.18 0.40 0.71 -1.12 117.98 122.47 3d52 s PHE 932 Ca -0.07 -0.36 -0.03 0.00 -0.60 0.00 0.00 56.93 55.87 3d52 s PHE 932 Cb -0.14 -0.99 -0.02 0.00 0.51 0.00 0.00 43.02 42.38 3d52 s PHE 932 CO 0.05 -0.09 -0.07 0.42 0.70 0.00 0.00 175.22 176.22 3d52 s ILE 933 N -0.13 3.39 0.18 0.64 1.01 0.12 -0.75 121.20 125.67 3d52 s ILE 933 Ca 0.01 -0.52 -0.31 0.00 0.00 0.00 0.00 60.65 59.83 3d52 s ILE 933 Cb -0.09 -2.49 -0.10 0.00 0.01 0.00 0.00 42.46 39.79 3d52 s ILE 933 CO 0.01 0.47 1.55 0.12 0.00 0.00 0.00 174.94 177.09 3d52 s PHE 934 N 0.83 3.04 -0.62 3.97 5.36 -0.69 -1.45 117.98 128.42 3d52 s PHE 934 Ca -0.02 0.70 0.24 0.00 -0.96 0.00 0.00 56.93 56.89 3d52 s PHE 934 Cb -0.15 -3.91 0.38 0.00 -0.34 0.00 0.00 43.02 39.00 3d52 s PHE 934 CO 0.01 -3.30 1.37 0.00 -1.46 0.00 0.00 175.22 171.85 3d52 h ALA 935 N 6.43 0.65 -0.32 11.12 0.00 -0.88 -3.47 119.26 132.78 3d52 h ALA 935 Ca -0.43 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.85 3d52 h ALA 935 Cb 1.21 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 3d52 h ALA 935 CO 0.89 0.00 -0.37 -1.21 0.00 0.00 0.00 179.25 178.56 3d52 s GLU 936 N -3.17 2.23 0.14 0.00 2.02 -1.26 -5.05 118.70 113.61 3d52 s GLU 936 Ca 0.06 -2.21 -0.08 0.00 0.02 0.00 0.00 54.97 52.76 3d52 s GLU 936 Cb 0.13 -1.87 -0.03 0.00 0.10 0.00 0.00 34.13 32.46 3d52 s GLU 936 CO 0.71 -0.58 1.42 -0.91 0.02 0.00 0.00 175.26 175.92 3d52 h ASN 937 N 0.92 0.83 -3.62 -0.19 2.35 -1.98 -3.45 115.58 110.44 3d52 h ASN 937 Ca -0.39 -0.47 -0.49 0.00 -0.55 0.00 0.00 56.30 54.40 3d52 h ASN 937 Cb 1.32 -0.24 -0.32 0.00 0.05 0.00 0.00 38.32 39.12 3d52 h ASN 937 CO 0.63 1.24 -0.81 -0.70 -1.65 0.00 0.00 177.43 176.14 3d52 s GLU 938 N -3.97 1.46 -0.40 0.81 2.12 -1.26 -4.98 118.70 112.48 3d52 s GLU 938 Ca -0.09 -0.40 -0.08 0.00 0.36 0.00 0.00 54.97 54.76 3d52 s GLU 938 Cb 0.10 -1.26 0.07 0.00 0.26 0.00 0.00 34.13 33.31 3d52 s GLU 938 CO 0.88 0.09 0.22 -0.46 -0.54 0.00 0.00 175.26 175.44 3d52 s TRP 939 N 0.43 3.34 0.13 5.30 -0.00 -1.26 -5.08 118.94 121.80 3d52 s TRP 939 Ca -0.09 -1.59 -0.30 0.00 -0.00 0.00 0.00 56.10 54.12 3d52 s TRP 939 Cb -0.13 -2.83 -0.06 0.00 -0.00 0.00 0.00 33.47 30.44 3d52 s TRP 939 CO 0.02 -0.83 1.01 0.42 -0.00 0.00 0.00 176.95 177.56 3d52 s ILE 940 N 1.39 4.32 -0.17 5.86 1.01 -1.26 -3.63 121.20 128.72 3d52 s ILE 940 Ca 0.02 1.93 0.00 0.00 0.00 0.00 0.00 60.65 62.61 3d52 s ILE 940 Cb -0.22 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.01 3d52 s ILE 940 CO 0.02 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.87 3d52 n GLY 941 N 2.24 0.52 3.77 6.18 0.00 -1.26 -4.81 105.19 111.83 3d52 n GLY 941 Ca 0.03 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 3d52 n GLY 941 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d52 s ALA 942 N -2.03 3.31 0.19 4.61 0.00 -1.24 -1.58 121.76 125.02 3d52 s ALA 942 Ca 0.00 1.43 0.10 0.00 0.00 0.00 0.00 51.96 53.48 3d52 s ALA 942 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 3d52 s ALA 942 CO 0.00 -1.07 -0.15 -0.65 0.00 0.00 0.00 175.76 173.90 3d52 s GLN 943 N -2.32 1.87 0.30 0.00 -0.21 -0.23 -4.87 119.66 114.20 3d52 s GLN 943 Ca 0.58 -1.37 0.23 0.00 0.02 0.00 0.00 55.36 54.82 3d52 s GLN 943 Cb -0.43 -2.04 0.15 0.00 1.00 0.00 0.00 33.01 31.69 3d52 s GLN 943 CO 0.56 0.42 1.29 0.78 -2.12 0.00 0.00 175.29 176.22 3d52 h GLY 944 N 2.96 0.00 -3.32 3.09 0.00 -1.89 -3.42 103.07 100.49 3d52 h GLY 944 Ca -0.46 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3d52 h GLY 944 CO 0.52 0.00 0.23 1.62 0.00 0.00 0.00 176.54 178.91 3d52 s GLN 945 N -3.30 1.18 -0.01 4.80 0.74 -1.26 -0.95 119.66 120.86 3d52 s GLN 945 Ca 0.03 -0.25 0.01 0.00 0.05 0.00 0.00 55.36 55.20 3d52 s GLN 945 Cb 0.08 0.55 0.00 0.00 1.10 0.00 0.00 33.01 34.73 3d52 s GLN 945 CO 0.74 -0.48 -0.04 0.12 -0.55 0.00 0.00 175.29 175.08 3d52 s PHE 946 N -2.97 0.41 0.00 1.67 5.36 -0.31 -4.91 117.98 117.24 3d52 s PHE 946 Ca -0.02 -0.07 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 3d52 s PHE 946 Cb -0.01 -0.31 0.00 0.00 -0.34 0.00 0.00 43.02 42.37 3d52 s PHE 946 CO -0.06 -0.04 0.00 0.41 -1.46 0.00 0.00 175.22 174.07 3d52 n GLY 947 N 3.21 0.74 0.35 13.12 0.00 -1.26 -0.72 105.19 120.63 3d52 n GLY 947 Ca -0.16 -0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.00 3d52 n GLY 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3d52 h GLY 948 N 0.00 0.00 -0.86 -0.02 0.00 -1.90 0.37 103.07 100.65 3d52 h GLY 948 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d52 h GLY 948 CO 0.00 0.00 -0.10 2.09 0.00 0.00 0.00 176.54 178.53 3d52 n ASP 949 N -4.06 1.94 -4.76 0.19 5.75 -1.26 -4.94 116.55 109.42 3d52 n ASP 949 Ca 0.04 -1.56 -0.40 0.00 -0.01 0.00 0.00 54.79 52.86 3d52 n ASP 949 Cb 0.42 0.08 -0.04 0.00 -1.03 0.00 0.00 41.12 40.55 3d52 n ASP 949 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3d52 s HIS 950 N -2.13 3.40 0.51 2.11 3.76 0.12 -4.98 115.29 118.08 3d52 s HIS 950 Ca 0.31 1.58 -0.22 0.00 -0.15 0.00 0.00 55.06 56.57 3d52 s HIS 950 Cb 0.20 -3.42 -0.06 0.00 1.11 0.00 0.00 32.58 30.41 3d52 s HIS 950 CO 0.38 -1.02 1.31 -2.14 -0.85 0.00 0.00 174.74 172.42 3d52 s PRO 951 N -1.42 3.35 -0.60 8.40 0.02 -1.26 -4.71 135.00 138.77 3d52 s PRO 951 Ca 0.47 2.13 -0.13 0.00 0.02 0.00 0.00 61.00 63.49 3d52 s PRO 951 Cb -0.34 -2.33 0.15 0.00 0.02 0.00 0.00 34.50 31.99 3d52 s PRO 951 CO 0.44 -0.99 0.52 0.45 -0.33 0.00 0.00 177.00 177.09 3d52 s SER 952 N -1.01 6.15 0.71 2.53 0.15 -1.26 -4.67 113.70 116.29 3d52 s SER 952 Ca 0.68 -2.12 -0.11 0.00 0.70 0.00 0.00 55.95 55.10 3d52 s SER 952 Cb -0.38 -2.13 0.02 0.00 -1.71 0.00 0.00 66.02 61.82 3d52 s SER 952 CO 0.45 -0.71 1.07 0.00 1.20 0.00 0.00 173.24 175.25 3d52 s ALA 953 N 1.06 2.61 0.54 5.45 0.00 0.88 -2.92 121.76 129.38 3d52 s ALA 953 Ca 0.08 0.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.91 3d52 s ALA 953 Cb -0.23 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 3d52 s ALA 953 CO -0.01 -1.31 1.01 -2.13 0.00 0.00 0.00 175.76 173.31 3d52 n ARG 954 N -3.19 1.12 0.29 0.00 0.63 -1.26 -4.66 116.66 109.58 3d52 n ARG 954 Ca 0.08 0.42 0.15 0.00 -0.92 0.00 0.00 57.85 57.57 3d52 n ARG 954 Cb 0.54 -2.16 0.88 0.00 0.45 0.00 0.00 32.46 32.16 3d52 n ARG 954 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3d52 h GLU 955 N 0.90 0.00 -0.00 -0.14 4.11 -1.97 -0.51 114.58 116.98 3d52 h GLU 955 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3d52 h GLU 955 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 3d52 h GLU 955 CO 0.53 0.04 -0.04 -0.40 0.07 0.00 0.00 179.01 179.21 3d52 n ASP 956 N -3.71 0.05 -4.79 3.06 5.75 -1.26 -4.84 116.55 110.81 3d52 n ASP 956 Ca -0.03 0.36 -0.36 0.00 -0.01 0.00 0.00 54.79 54.75 3d52 n ASP 956 Cb 0.13 -0.41 -0.07 0.00 -1.03 0.00 0.00 41.12 39.74 3d52 n ASP 956 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3d52 s LEU 957 N -2.95 4.31 0.09 -2.12 2.96 -0.20 -0.97 118.68 119.79 3d52 s LEU 957 Ca 0.15 0.48 0.07 0.00 -0.22 0.00 0.00 54.13 54.62 3d52 s LEU 957 Cb 0.19 -2.24 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 3d52 s LEU 957 CO 0.54 0.24 -0.18 -0.62 -1.32 0.00 0.00 176.35 175.00 3d52 s ASP 958 N -0.19 2.16 -0.75 3.68 2.15 0.86 -4.75 116.67 119.83 3d52 s ASP 958 Ca 0.15 -0.65 -0.17 0.00 0.43 0.00 0.00 52.55 52.30 3d52 s ASP 958 Cb -0.13 -0.10 0.15 0.00 -0.30 0.00 0.00 42.92 42.54 3d52 s ASP 958 CO 0.04 0.00 0.83 -0.69 -0.17 0.00 0.00 175.17 175.17 3d52 s VAL 959 N -1.20 5.06 0.24 1.11 1.01 -1.26 -1.15 120.40 124.21 3d52 s VAL 959 Ca 0.03 -1.63 0.01 0.00 0.00 0.00 0.00 61.98 60.38 3d52 s VAL 959 Cb -0.10 -4.55 0.01 0.00 0.00 0.00 0.00 36.38 31.74 3d52 s VAL 959 CO 0.03 -1.19 1.63 0.28 0.00 0.00 0.00 175.10 175.85 3d52 h SER 960 N 8.64 0.51 -3.64 3.32 0.02 -0.83 -3.43 113.55 118.15 3d52 h SER 960 Ca -0.05 -0.22 -0.31 0.00 -0.84 0.00 0.00 61.79 60.37 3d52 h SER 960 Cb 1.06 -0.14 -0.31 0.00 0.14 0.00 0.00 62.40 63.14 3d52 h SER 960 CO 0.99 0.85 -0.74 -0.69 -1.14 0.00 0.00 176.83 176.10 3d52 s VAL 961 N -4.24 0.15 -0.09 2.27 1.01 -1.12 -4.95 120.40 113.42 3d52 s VAL 961 Ca -0.07 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 3d52 s VAL 961 Cb 0.13 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 36.34 3d52 s VAL 961 CO 0.81 0.10 -0.04 -0.32 0.00 0.00 0.00 175.10 175.65 3d52 s MET 962 N 0.55 1.07 -0.10 2.72 0.00 -1.26 -1.00 119.30 121.27 3d52 s MET 962 Ca -0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 55.69 55.52 3d52 s MET 962 Cb -0.08 -1.30 0.05 0.00 0.00 0.00 0.00 34.83 33.51 3d52 s MET 962 CO -0.01 -0.29 0.20 0.50 0.00 0.00 0.00 175.02 175.42 3d52 s ARG 963 N 1.84 0.09 0.11 4.11 3.52 -0.16 -3.41 118.95 125.04 3d52 s ARG 963 Ca 0.05 0.60 -0.31 0.00 -0.13 0.00 0.00 55.73 55.94 3d52 s ARG 963 Cb -0.12 -0.18 -0.07 0.00 -1.56 0.00 0.00 34.95 33.02 3d52 s ARG 963 CO -0.07 -0.27 1.29 0.50 -0.81 0.00 0.00 175.30 175.94 3d52 s ARG 964 N 2.13 4.39 -0.01 5.12 3.52 -1.26 -0.23 118.95 132.61 3d52 s ARG 964 Ca 0.00 1.94 0.20 0.00 -0.13 0.00 0.00 55.73 57.74 3d52 s ARG 964 Cb -0.12 -3.28 -0.24 0.00 -1.56 0.00 0.00 34.95 29.75 3d52 s ARG 964 CO -0.07 -0.31 0.78 1.28 -0.81 0.00 0.00 175.30 176.18 3d52 n LEU 965 N 3.61 0.77 -4.50 -0.88 4.77 0.94 -4.93 117.00 116.77 3d52 n LEU 965 Ca 0.09 -0.40 -0.30 0.00 -0.03 0.00 0.00 56.01 55.37 3d52 n LEU 965 Cb 0.44 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 3d52 n LEU 965 CO 0.57 0.19 -0.48 0.42 -1.33 0.00 0.00 177.39 176.76 3d52 s THR 966 N -3.04 2.93 0.75 -5.08 -4.23 -1.23 -4.95 115.64 100.80 3d52 s THR 966 Ca 0.05 -1.36 -0.11 0.00 -1.18 0.00 0.00 61.69 59.09 3d52 s THR 966 Cb 0.15 -2.32 0.05 0.00 1.34 0.00 0.00 72.50 71.73 3d52 s THR 966 CO 0.85 0.18 1.12 -0.54 -0.54 0.00 0.00 174.62 175.68 3d52 s LYS 967 N -1.93 2.31 0.55 3.99 1.02 -1.26 -4.86 119.74 119.56 3d52 s LYS 967 Ca 0.17 0.16 0.35 0.00 0.02 0.00 0.00 55.97 56.67 3d52 s LYS 967 Cb -0.11 -2.02 1.48 0.00 -0.52 0.00 0.00 37.83 36.67 3d52 s LYS 967 CO 0.09 -1.33 2.02 0.66 -0.92 0.00 0.00 175.35 175.87 3d52 h SER 968 N -0.83 0.00 1.12 2.83 4.64 -1.98 -2.42 113.55 116.92 3d52 h SER 968 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3d52 h SER 968 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3d52 h SER 968 CO 0.64 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.37 3d52 h SER 969 N 0.00 0.00 -2.82 4.97 4.64 -1.93 -3.45 113.55 114.96 3d52 h SER 969 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3d52 h SER 969 Cb 0.44 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 3d52 h SER 969 CO 0.00 0.00 0.89 0.00 -0.87 0.00 0.00 176.83 176.85 3d52 s ALA 970 N -3.26 3.64 0.23 5.18 0.00 -0.91 -4.90 121.76 121.74 3d52 s ALA 970 Ca 0.07 1.09 -0.06 0.00 0.00 0.00 0.00 51.96 53.05 3d52 s ALA 970 Cb 0.10 -3.63 0.36 0.00 0.00 0.00 0.00 23.12 19.95 3d52 s ALA 970 CO 0.50 -0.95 1.77 -0.22 0.00 0.00 0.00 175.76 176.87 3d52 h LYS 971 N 7.84 0.58 -4.55 0.00 3.64 -1.91 -3.37 116.57 118.80 3d52 h LYS 971 Ca -0.41 -0.03 -0.71 0.00 -1.27 0.00 0.00 60.65 58.23 3d52 h LYS 971 Cb 1.19 -0.13 -0.25 0.00 -0.41 0.00 0.00 32.23 32.63 3d52 h LYS 971 CO 0.91 0.38 -0.50 0.99 -2.27 0.00 0.00 179.45 178.96 3d52 s THR 972 N -6.05 4.51 0.31 1.00 2.01 -1.26 -1.41 115.64 114.74 3d52 s THR 972 Ca -0.13 -0.98 -0.21 0.00 0.31 0.00 0.00 61.69 60.69 3d52 s THR 972 Cb 0.18 -3.57 -0.09 0.00 0.01 0.00 0.00 72.50 69.03 3d52 s THR 972 CO 0.76 -0.30 0.83 -1.10 -0.69 0.00 0.00 174.62 174.13 3d52 s GLN 973 N 1.53 4.29 -0.03 4.92 -1.52 -0.24 -4.84 119.66 123.78 3d52 s GLN 973 Ca 0.02 1.01 0.02 0.00 -1.95 0.00 0.00 55.36 54.46 3d52 s GLN 973 Cb -0.20 -2.64 0.01 0.00 -0.22 0.00 0.00 33.01 29.96 3d52 s GLN 973 CO 0.06 0.23 -0.07 1.03 -0.25 0.00 0.00 175.29 176.29 3d52 s ARG 974 N -2.42 0.86 -0.06 2.91 0.52 -1.26 -0.09 118.95 119.41 3d52 s ARG 974 Ca 0.51 -0.24 0.04 0.00 -0.52 0.00 0.00 55.73 55.51 3d52 s ARG 974 Cb -0.14 -0.82 0.00 0.00 0.52 0.00 0.00 34.95 34.51 3d52 s ARG 974 CO 0.20 0.07 -0.17 0.08 0.02 0.00 0.00 175.30 175.49 3d52 s VAL 975 N 0.32 1.45 -0.05 3.52 1.01 -0.33 -0.04 120.40 126.28 3d52 s VAL 975 Ca -0.05 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 3d52 s VAL 975 Cb -0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3d52 s VAL 975 CO 0.00 0.42 0.07 -0.83 0.00 0.00 0.00 175.10 174.76 3d52 s GLY 976 N 0.26 1.99 -0.02 4.51 0.00 0.68 -1.08 107.32 113.66 3d52 s GLY 976 Ca -0.09 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 43.86 3d52 s GLY 976 CO 0.04 -0.63 -0.13 -0.19 0.00 0.00 0.00 173.10 172.19 3d52 s TYR 977 N -1.07 1.24 -0.18 1.90 1.51 0.66 -0.99 117.35 120.43 3d52 s TYR 977 Ca 0.18 -0.27 -0.03 0.00 -1.01 0.00 0.00 57.07 55.95 3d52 s TYR 977 Cb -0.12 -0.82 -0.01 0.00 -0.11 0.00 0.00 41.96 40.90 3d52 s TYR 977 CO 0.08 -0.06 -0.07 0.08 -1.11 0.00 0.00 175.55 174.47 3d52 s VAL 978 N -0.17 3.33 -0.15 0.71 1.01 -0.17 -1.02 120.40 123.93 3d52 s VAL 978 Ca 0.02 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 3d52 s VAL 978 Cb -0.07 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3d52 s VAL 978 CO 0.00 0.47 -0.09 -0.76 0.00 0.00 0.00 175.10 174.72 3d52 s LEU 979 N 0.93 2.91 -0.07 3.92 1.43 0.72 -0.05 118.68 128.47 3d52 s LEU 979 Ca -0.01 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 3d52 s LEU 979 Cb -0.15 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 3d52 s LEU 979 CO 0.00 0.14 -0.22 -2.28 0.23 0.00 0.00 176.35 174.23 3d52 s HIS 980 N 0.50 2.25 -0.19 0.29 5.65 -0.30 -1.04 115.29 122.46 3d52 s HIS 980 Ca -0.07 -0.80 -0.01 0.00 0.25 0.00 0.00 55.06 54.43 3d52 s HIS 980 Cb -0.15 -1.51 0.00 0.00 -1.18 0.00 0.00 32.58 29.74 3d52 s HIS 980 CO 0.04 -0.30 -0.13 0.50 -0.65 0.00 0.00 174.74 174.19 3d52 s ARG 981 N 0.19 3.19 0.44 2.88 3.52 -0.66 -0.10 118.95 128.41 3d52 s ARG 981 Ca -0.12 -0.74 -0.07 0.00 -0.13 0.00 0.00 55.73 54.68 3d52 s ARG 981 Cb -0.15 -2.73 0.10 0.00 -1.56 0.00 0.00 34.95 30.60 3d52 s ARG 981 CO 0.06 -0.13 0.60 -2.37 -0.81 0.00 0.00 175.30 172.64 3d52 n THR 982 N 4.50 0.00 -4.28 4.11 5.66 -0.15 -0.34 114.28 123.79 3d52 n THR 982 Ca -0.19 -0.49 -0.28 0.00 -3.05 0.00 0.00 64.05 60.04 3d52 n THR 982 Cb 0.51 -1.70 -0.17 0.00 -1.55 0.00 0.00 70.33 67.42 3d52 n THR 982 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3d52 s ASN 983 N -3.21 2.36 0.03 1.09 2.47 -1.26 -3.73 114.94 112.69 3d52 s ASN 983 Ca 0.34 -0.40 0.03 0.00 0.42 0.00 0.00 52.86 53.25 3d52 s ASN 983 Cb -0.01 -1.03 -0.04 0.00 -1.45 0.00 0.00 41.25 38.72 3d52 s ASN 983 CO 0.24 -0.02 0.01 -0.76 -3.72 0.00 0.00 177.10 172.85 3d52 s LEU 984 N 1.19 3.53 0.33 3.21 1.43 -1.26 -4.29 118.68 122.82 3d52 s LEU 984 Ca -0.03 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.73 3d52 s LEU 984 Cb -0.14 -2.11 -0.10 0.00 0.03 0.00 0.00 46.19 43.86 3d52 s LEU 984 CO -0.04 0.24 1.40 -0.04 0.23 0.00 0.00 176.35 178.14 3d52 s MET 985 N -1.84 4.26 -0.20 1.70 -1.94 0.32 -4.98 119.30 116.62 3d52 s MET 985 Ca 0.22 2.35 -0.26 0.00 -1.71 0.00 0.00 55.69 56.29 3d52 s MET 985 Cb -0.12 -3.05 -0.00 0.00 2.01 0.00 0.00 34.83 33.67 3d52 s MET 985 CO 0.14 -0.35 0.90 -0.65 -0.01 0.00 0.00 175.02 175.05 3d52 s GLN 986 N -1.55 4.26 -0.04 2.03 -1.52 -1.26 -4.60 119.66 116.99 3d52 s GLN 986 Ca 0.53 1.12 0.06 0.00 -1.95 0.00 0.00 55.36 55.11 3d52 s GLN 986 Cb -0.42 -3.61 0.08 0.00 -0.22 0.00 0.00 33.01 28.84 3d52 s GLN 986 CO 0.54 -0.47 0.99 0.00 -0.25 0.00 0.00 175.29 176.09 3d52 n GLY 988 N -0.45 0.42 3.66 0.00 0.00 -1.26 -4.68 105.19 102.88 3d52 n GLY 988 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3d52 n GLY 988 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d52 s THR 989 N -2.14 3.81 0.30 2.61 2.01 -1.26 -4.95 115.64 116.02 3d52 s THR 989 Ca 0.00 0.98 -0.29 0.00 0.31 0.00 0.00 61.69 62.69 3d52 s THR 989 Cb 0.00 -3.64 -0.10 0.00 0.01 0.00 0.00 72.50 68.77 3d52 s THR 989 CO 0.00 -0.09 1.43 -2.84 -0.69 0.00 0.00 174.62 172.42 3d52 s PRO 990 N 3.88 4.25 -0.16 4.92 0.02 -1.26 -4.93 135.00 141.72 3d52 s PRO 990 Ca 0.67 2.35 -0.29 0.00 0.02 0.00 0.00 61.00 63.75 3d52 s PRO 990 Cb -0.29 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.15 3d52 s PRO 990 CO 0.25 -0.40 1.15 -2.00 -0.33 0.00 0.00 177.00 175.67 3d52 s GLU 991 N -1.05 4.28 0.68 5.54 2.12 -1.26 -5.03 118.70 123.98 3d52 s GLU 991 Ca 0.56 1.53 -0.14 0.00 0.36 0.00 0.00 54.97 57.28 3d52 s GLU 991 Cb -0.43 -3.67 0.01 0.00 0.26 0.00 0.00 34.13 30.31 3d52 s GLU 991 CO 0.50 -0.60 1.10 -1.83 -0.54 0.00 0.00 175.26 173.89 3d52 s GLU 992 N 3.04 2.73 0.35 4.30 -1.05 -1.26 -5.02 118.70 121.79 3d52 s GLU 992 Ca 0.51 1.32 -0.28 0.00 -0.15 0.00 0.00 54.97 56.36 3d52 s GLU 992 Cb -0.20 -1.95 -0.11 0.00 -0.44 0.00 0.00 34.13 31.44 3d52 s GLU 992 CO 0.13 -1.29 1.45 -1.01 0.95 0.00 0.00 175.26 175.49 3d52 s HIS 993 N -2.48 2.74 0.15 4.83 3.76 -1.26 -5.04 115.29 117.98 3d52 s HIS 993 Ca 0.65 1.19 0.05 0.00 -0.15 0.00 0.00 55.06 56.79 3d52 s HIS 993 Cb -0.19 -3.93 -0.04 0.00 1.11 0.00 0.00 32.58 29.52 3d52 s HIS 993 CO 0.45 -2.75 -0.10 0.95 -0.85 0.00 0.00 174.74 172.43 3d52 s THR 994 N -0.96 1.20 0.31 1.30 -4.23 -1.26 -5.09 115.64 106.91 3d52 s THR 994 Ca 0.53 -2.07 -0.21 0.00 -1.18 0.00 0.00 61.69 58.76 3d52 s THR 994 Cb -0.45 -1.87 -0.09 0.00 1.34 0.00 0.00 72.50 71.43 3d52 s THR 994 CO 0.58 -0.73 0.85 -1.10 -0.54 0.00 0.00 174.62 173.68 3d52 s GLN 995 N -3.74 4.33 0.21 3.99 -0.21 -1.15 -4.93 119.66 118.16 3d52 s GLN 995 Ca 0.17 1.05 -0.30 0.00 0.02 0.00 0.00 55.36 56.30 3d52 s GLN 995 Cb 0.02 -2.64 -0.09 0.00 1.00 0.00 0.00 33.01 31.30 3d52 s GLN 995 CO 0.01 0.23 1.36 0.21 -2.12 0.00 0.00 175.29 174.98 3d52 s LYS 996 N -2.39 4.35 -0.30 2.91 2.20 -1.26 -4.23 119.74 121.01 3d52 s LYS 996 Ca 0.51 2.14 -0.11 0.00 -0.36 0.00 0.00 55.97 58.15 3d52 s LYS 996 Cb -0.15 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 3d52 s LYS 996 CO 0.20 -0.31 0.18 -1.17 -0.36 0.00 0.00 175.35 173.89 3d52 s LEU 997 N -0.15 4.11 -0.45 5.43 2.96 -1.26 -4.86 118.68 124.46 3d52 s LEU 997 Ca 0.58 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 54.22 3d52 s LEU 997 Cb -0.38 -2.08 0.12 0.00 0.50 0.00 0.00 46.19 44.34 3d52 s LEU 997 CO 0.39 -0.12 0.26 -0.62 -1.32 0.00 0.00 176.35 174.94 3d52 s ASP 998 N 1.71 5.35 0.54 3.68 2.15 -1.26 -4.55 116.67 124.29 3d52 s ASP 998 Ca 0.06 -2.10 0.23 0.00 0.43 0.00 0.00 52.55 51.17 3d52 s ASP 998 Cb -0.16 -1.87 1.50 0.00 -0.30 0.00 0.00 42.92 42.09 3d52 s ASP 998 CO 0.09 -0.56 2.17 -0.37 -0.17 0.00 0.00 175.17 176.34 3d52 h VAL 999 N 6.20 0.77 0.00 1.11 -1.51 -1.96 -2.25 116.25 118.61 3d52 h VAL 999 Ca -0.13 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 3d52 h VAL 999 Cb 1.04 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 3d52 h VAL 999 CO 0.73 0.03 0.00 0.00 -1.23 0.00 0.00 177.57 177.10 3d52 n HIS 1001N -2.95 1.55 0.17 0.00 8.25 -0.85 -4.47 115.22 116.92 3d52 n HIS 1001Ca 0.00 -0.80 0.04 0.00 -0.26 0.00 0.00 57.72 56.71 3d52 n HIS 1001Cb 0.25 -0.42 0.22 0.00 1.12 0.00 0.00 29.99 31.16 3d52 n HIS 1001CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3d52 h LEU 1002N 2.98 0.00 -9.14 2.41 3.38 -1.44 -3.44 115.31 110.05 3d52 h LEU 1002Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 3d52 h LEU 1002Cb 1.73 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 42.30 3d52 h LEU 1002CO 0.37 0.44 -0.77 -0.76 0.09 0.00 0.00 178.44 177.80 3d52 s LEU 1003N -6.83 2.86 0.89 1.67 1.43 -1.26 -5.12 118.68 112.31 3d52 s LEU 1003Ca 0.01 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 3d52 s LEU 1003Cb 0.10 -1.68 0.13 0.00 0.03 0.00 0.00 46.19 44.76 3d52 s LEU 1003CO 0.71 0.20 1.09 -2.16 0.23 0.00 0.00 176.35 176.42 3d52 s PRO 1004N -1.97 1.28 -1.31 1.29 0.04 -1.26 -4.21 135.00 128.87 3d52 s PRO 1004Ca 0.19 0.96 -0.07 0.00 0.04 0.00 0.00 61.00 62.12 3d52 s PRO 1004Cb -0.11 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.64 3d52 s PRO 1004CO 0.10 -2.26 0.89 0.09 0.04 0.00 0.00 177.00 175.87 3d52 n ASN 1005N -3.92 -5.93 -4.74 6.66 3.02 -1.26 -4.77 115.26 104.32 3d52 n ASN 1005Ca 0.08 -0.41 -0.41 0.00 -0.03 0.00 0.00 54.58 53.80 3d52 n ASN 1005Cb 0.54 -4.62 -0.02 0.00 -0.61 0.00 0.00 39.78 35.07 3d52 n ASN 1005CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3d52 s VAL 1006N -3.23 2.69 -0.02 2.41 0.11 -1.26 -1.95 120.40 119.14 3d52 s VAL 1006Ca 0.44 0.58 0.07 0.00 -2.93 0.00 0.00 61.98 60.14 3d52 s VAL 1006Cb -0.20 -3.37 -0.10 0.00 -1.53 0.00 0.00 36.38 31.18 3d52 s VAL 1006CO 0.55 0.09 0.12 0.00 -3.33 0.00 0.00 175.10 172.53 3d52 n ALA 1007N 2.32 2.16 -3.47 1.54 0.00 0.80 -4.88 120.51 118.98 3d52 n ALA 1007Ca 0.07 -0.23 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 3d52 n ALA 1007Cb 0.40 -0.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.66 3d52 n ALA 1007CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3d52 s ARG 1008N -2.41 1.14 -0.02 0.00 3.52 -1.13 -4.98 118.95 115.07 3d52 s ARG 1008Ca -0.03 -0.12 -0.00 0.00 -0.13 0.00 0.00 55.73 55.45 3d52 s ARG 1008Cb 0.04 0.53 0.03 0.00 -1.56 0.00 0.00 34.95 33.99 3d52 s ARG 1008CO 0.28 -0.44 0.03 0.00 -0.81 0.00 0.00 175.30 174.36 3d52 s GLU 1010N 1.15 0.82 0.17 0.00 2.02 -0.24 -0.97 118.70 121.67 3d52 s GLU 1010Ca -0.08 -0.58 -0.26 0.00 0.02 0.00 0.00 54.97 54.06 3d52 s GLU 1010Cb -0.13 -0.79 -0.08 0.00 0.10 0.00 0.00 34.13 33.23 3d52 s GLU 1010CO -0.03 0.20 0.80 0.50 0.02 0.00 0.00 175.26 176.76 3d52 s ARG 1011N -0.81 4.61 0.25 1.61 3.52 -0.06 -0.69 118.95 127.39 3d52 s ARG 1011Ca 0.01 1.21 0.01 0.00 -0.13 0.00 0.00 55.73 56.84 3d52 s ARG 1011Cb -0.06 -3.27 -0.05 0.00 -1.56 0.00 0.00 34.95 30.01 3d52 s ARG 1011CO 0.00 0.55 0.09 0.95 -0.81 0.00 0.00 175.30 176.08 3d52 s THR 1012N -1.11 0.60 0.99 4.11 -4.23 -0.02 0.48 115.64 116.47 3d52 s THR 1012Ca 0.37 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.77 3d52 s THR 1012Cb -0.23 -2.60 0.19 0.00 1.34 0.00 0.00 72.50 71.20 3d52 s THR 1012CO 0.27 -0.05 1.11 0.42 -0.54 0.00 0.00 174.62 175.83 3d52 s THR 1013N -3.72 2.07 -0.57 3.99 -4.23 -0.50 -3.90 115.64 108.78 3d52 s THR 1013Ca 0.36 0.02 0.23 0.00 -1.18 0.00 0.00 61.69 61.13 3d52 s THR 1013Cb 0.08 -2.06 0.23 0.00 1.34 0.00 0.00 72.50 72.09 3d52 s THR 1013CO 0.13 -0.03 1.69 0.18 -0.54 0.00 0.00 174.62 176.05 3d52 n LEU 1014N -4.44 0.59 -0.30 4.79 4.77 -0.80 -0.69 117.00 120.91 3d52 n LEU 1014Ca 0.09 0.63 0.14 0.00 -0.03 0.00 0.00 56.01 56.84 3d52 n LEU 1014Cb 0.53 -0.54 0.53 0.00 -2.33 0.00 0.00 43.42 41.60 3d52 n LEU 1014CO 0.52 -0.48 0.82 0.35 -1.33 0.00 0.00 177.39 177.27 3d52 n THR 1015N -2.14 0.00 -1.05 -5.08 -2.24 -1.26 -4.93 114.28 97.58 3d52 n THR 1015Ca 0.03 -0.16 -0.02 0.00 -2.27 0.00 0.00 64.05 61.63 3d52 n THR 1015Cb 0.24 0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 3d52 n THR 1015CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3d52 n PHE 1016N -0.38 0.00 0.67 4.78 3.72 0.13 -4.91 117.46 121.46 3d52 n PHE 1016Ca 0.16 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.67 3d52 n PHE 1016Cb 0.32 -0.88 -0.01 0.00 -0.94 0.00 0.00 39.48 37.97 3d52 n PHE 1016CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3d52 n LEU 1017N -0.18 0.64 -3.84 4.37 4.77 -1.26 -4.87 117.00 116.63 3d52 n LEU 1017Ca -0.02 -0.14 -0.16 0.00 -0.03 0.00 0.00 56.01 55.66 3d52 n LEU 1017Cb 0.19 -0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.05 3d52 n LEU 1017CO 0.02 0.10 -0.37 -1.58 -1.33 0.00 0.00 177.39 174.23 3d52 s GLN 1018N -3.16 0.23 -0.05 3.23 0.74 -1.26 -5.01 119.66 114.38 3d52 s GLN 1018Ca 0.04 0.04 -0.27 0.00 0.05 0.00 0.00 55.36 55.23 3d52 s GLN 1018Cb 0.15 -0.37 -0.03 0.00 1.10 0.00 0.00 33.01 33.86 3d52 s GLN 1018CO 0.82 -0.08 0.85 -0.80 -0.55 0.00 0.00 175.29 175.53 3d52 s ASN 1019N 0.71 7.17 -0.15 6.67 0.01 -1.26 -1.42 114.94 126.68 3d52 s ASN 1019Ca -0.07 1.42 0.14 0.00 -0.71 0.00 0.00 52.86 53.64 3d52 s ASN 1019Cb -0.10 -2.49 -0.19 0.00 0.41 0.00 0.00 41.25 38.87 3d52 s ASN 1019CO -0.01 -0.22 0.07 0.18 -1.51 0.00 0.00 177.10 175.60 3d52 n LEU 1020N 4.00 0.00 -3.66 0.60 4.77 0.18 -4.96 117.00 117.92 3d52 n LEU 1020Ca 0.03 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.93 3d52 n LEU 1020Cb 0.51 0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 41.88 3d52 n LEU 1020CO 0.50 0.37 0.20 -0.70 -1.33 0.00 0.00 177.39 176.43 3d52 s GLU 1021N -2.41 0.54 -0.11 3.23 2.12 -1.05 -4.98 118.70 116.05 3d52 s GLU 1021Ca -0.08 1.07 -0.26 0.00 0.36 0.00 0.00 54.97 56.07 3d52 s GLU 1021Cb 0.05 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.58 3d52 s GLU 1021CO 0.64 -0.17 0.83 -1.58 -0.54 0.00 0.00 175.26 174.44 3d52 s HIS 1022N 1.76 3.50 -0.18 5.30 5.65 -1.26 -0.88 115.29 129.17 3d52 s HIS 1022Ca -0.09 1.34 -0.14 0.00 0.25 0.00 0.00 55.06 56.42 3d52 s HIS 1022Cb -0.08 -2.99 -0.04 0.00 -1.18 0.00 0.00 32.58 28.29 3d52 s HIS 1022CO -0.17 -0.12 0.31 -0.51 -0.65 0.00 0.00 174.74 173.61 3d52 s LEU 1023N 1.62 4.20 0.18 8.88 1.43 -0.14 -4.97 118.68 129.89 3d52 s LEU 1023Ca 0.41 0.47 -0.33 0.00 -1.03 0.00 0.00 54.13 53.64 3d52 s LEU 1023Cb -0.18 -2.39 -0.13 0.00 0.03 0.00 0.00 46.19 43.52 3d52 s LEU 1023CO 0.16 0.04 1.66 0.47 0.23 0.00 0.00 176.35 178.91 3d52 n ASP 1024N 3.95 3.56 -0.24 2.29 8.00 -1.26 -1.95 116.55 130.89 3d52 n ASP 1024Ca -0.11 1.07 -0.03 0.00 0.71 0.00 0.00 54.79 56.43 3d52 n ASP 1024Cb 0.52 -1.50 -0.01 0.00 -0.02 0.00 0.00 41.12 40.10 3d52 n ASP 1024CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d52 n GLY 1025N 3.70 0.55 2.63 0.44 0.00 -1.26 -2.87 105.19 108.39 3d52 n GLY 1025Ca 0.17 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 3d52 n GLY 1025CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3d52 n MET 1026N -1.70 -2.61 -3.86 1.61 2.81 -0.82 -4.96 117.12 107.59 3d52 n MET 1026Ca -0.03 0.74 -0.36 0.00 -1.81 0.00 0.00 57.70 56.24 3d52 n MET 1026Cb 0.26 -5.41 -0.12 0.00 -0.71 0.00 0.00 33.22 27.24 3d52 n MET 1026CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3d52 s VAL 1027N -2.85 4.43 -0.31 2.03 1.01 -1.14 -4.56 120.40 119.01 3d52 s VAL 1027Ca 0.09 -0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 3d52 s VAL 1027Cb -0.05 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3d52 s VAL 1027CO 0.12 0.37 0.81 0.00 0.00 0.00 0.00 175.10 176.40 3d52 s ALA 1028N 1.24 3.52 0.54 5.51 0.00 -1.26 -4.67 121.76 126.65 3d52 s ALA 1028Ca 0.05 -0.41 -0.21 0.00 0.00 0.00 0.00 51.96 51.38 3d52 s ALA 1028Cb -0.14 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 3d52 s ALA 1028CO 0.03 -1.23 1.28 -2.14 0.00 0.00 0.00 175.76 173.70 3d52 s PRO 1029N 3.01 3.21 0.75 0.00 0.02 -1.26 -4.53 135.00 136.20 3d52 s PRO 1029Ca 0.33 2.05 -0.11 0.00 0.02 0.00 0.00 61.00 63.28 3d52 s PRO 1029Cb -0.14 -2.21 0.04 0.00 0.02 0.00 0.00 34.50 32.21 3d52 s PRO 1029CO 0.13 -1.07 1.08 -1.21 -0.33 0.00 0.00 177.00 175.60 3d52 s GLU 1030N -2.96 2.50 0.33 5.54 2.02 -1.26 -5.02 118.70 119.85 3d52 s GLU 1030Ca 0.71 0.75 0.07 0.00 0.02 0.00 0.00 54.97 56.52 3d52 s GLU 1030Cb -0.36 -1.96 -0.03 0.00 0.10 0.00 0.00 34.13 31.89 3d52 s GLU 1030CO 0.42 -1.36 0.30 0.14 0.02 0.00 0.00 175.26 174.78 3d52 s VAL 1031N -3.13 3.60 0.71 2.63 -7.23 -1.26 -5.11 120.40 110.62 3d52 s VAL 1031Ca 0.59 -1.34 -0.11 0.00 -1.81 0.00 0.00 61.98 59.31 3d52 s VAL 1031Cb -0.14 -3.21 0.02 0.00 0.56 0.00 0.00 36.38 33.61 3d52 s VAL 1031CO 0.54 -0.18 1.07 0.00 -0.31 0.00 0.00 175.10 176.22 3d52 n PRO 1033N -3.17 1.65 -0.95 0.00 -0.02 -1.26 -1.47 135.00 129.78 3d52 n PRO 1033Ca 0.07 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3d52 n PRO 1033Cb 0.54 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3d52 n PRO 1033CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3d52 n MET 1034N 2.08 -0.44 -3.99 -0.52 2.81 0.54 -4.93 117.12 112.68 3d52 n MET 1034Ca 0.14 0.11 -0.28 0.00 -1.81 0.00 0.00 57.70 55.86 3d52 n MET 1034Cb 0.28 -3.49 -0.04 0.00 -0.71 0.00 0.00 33.22 29.26 3d52 n MET 1034CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3d52 s GLU 1035N -0.54 3.24 -0.03 0.03 0.41 -0.54 -4.92 118.70 116.34 3d52 s GLU 1035Ca 0.00 -0.64 0.03 0.00 -0.41 0.00 0.00 54.97 53.95 3d52 s GLU 1035Cb 0.00 -2.87 0.00 0.00 -1.78 0.00 0.00 34.13 29.48 3d52 s GLU 1035CO 0.00 0.53 -0.13 0.99 -0.49 0.00 0.00 175.26 176.17 3d52 s THR 1036N -1.66 1.08 0.05 3.63 2.01 -1.26 -1.65 115.64 117.85 3d52 s THR 1036Ca 0.33 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.83 3d52 s THR 1036Cb -0.11 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 3d52 s THR 1036CO 0.26 0.32 -0.07 0.00 -0.69 0.00 0.00 174.62 174.44 3d52 s ALA 1037N 0.12 0.64 0.07 7.40 0.00 -0.20 -4.99 121.76 124.80 3d52 s ALA 1037Ca -0.03 -0.89 0.09 0.00 0.00 0.00 0.00 51.96 51.13 3d52 s ALA 1037Cb -0.10 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 3d52 s ALA 1037CO 0.01 -0.08 -0.24 0.00 0.00 0.00 0.00 175.76 175.45 3d52 s ALA 1038N -1.92 2.11 0.01 0.00 0.00 -1.25 -0.20 121.76 120.51 3d52 s ALA 1038Ca -0.05 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.65 3d52 s ALA 1038Cb -0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 3d52 s ALA 1038CO -0.01 0.48 -0.05 0.71 0.00 0.00 0.00 175.76 176.89 3d52 s TYR 1039N -0.91 0.42 -0.11 0.00 2.02 -0.19 -0.84 117.35 117.74 3d52 s TYR 1039Ca 0.11 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 3d52 s TYR 1039Cb -0.10 -0.26 0.01 0.00 -0.40 0.00 0.00 41.96 41.21 3d52 s TYR 1039CO 0.03 -0.05 -0.19 0.08 -1.57 0.00 0.00 175.55 173.85 3d52 s VAL 1040N -0.64 1.73 -0.11 0.71 1.01 0.13 -0.24 120.40 122.98 3d52 s VAL 1040Ca -0.04 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 3d52 s VAL 1040Cb -0.05 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3d52 s VAL 1040CO -0.00 0.49 0.06 -0.94 0.00 0.00 0.00 175.10 174.71 3d52 s SER 1041N 0.76 5.71 -0.04 3.32 1.04 -0.24 -1.08 113.70 123.17 3d52 s SER 1041Ca -0.10 0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.62 3d52 s SER 1041Cb -0.16 -1.77 -0.03 0.00 0.10 0.00 0.00 66.02 64.17 3d52 s SER 1041CO 0.01 0.35 -0.15 -0.44 0.98 0.00 0.00 173.24 174.00 3d52 s SER 1042N -0.72 3.95 -0.03 7.02 0.01 -0.34 -1.18 113.70 122.42 3d52 s SER 1042Ca 0.12 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.18 3d52 s SER 1042Cb -0.12 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.32 3d52 s SER 1042CO 0.03 0.34 -0.08 -1.00 0.41 0.00 0.00 173.24 172.93 3d52 s HIS 1043N -0.74 0.88 0.02 2.43 3.76 0.87 -0.14 115.29 122.38 3d52 s HIS 1043Ca 0.12 -0.22 -0.30 0.00 -0.15 0.00 0.00 55.06 54.50 3d52 s HIS 1043Cb -0.11 -0.64 -0.04 0.00 1.11 0.00 0.00 32.58 32.90 3d52 s HIS 1043CO 0.01 -0.10 1.11 -1.12 -0.85 0.00 0.00 174.74 173.79 3d52 s SER 1044N 0.24 7.19 0.00 1.40 0.01 -0.82 -1.08 113.70 120.64 3d52 s SER 1044Ca -0.04 1.85 0.00 0.00 1.31 0.00 0.00 55.95 59.08 3d52 s SER 1044Cb -0.09 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.57 3d52 s SER 1044CO 0.00 -0.40 0.16 -1.54 0.41 0.00 0.00 173.24 171.87