#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n63 h GLU 16 N 0.00 0.96 0.00 0.00 4.81 -2.07 -3.07 114.58 115.21 1n63 h GLU 16 Ca 0.00 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1n63 h GLU 16 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1n63 h GLU 16 CO 0.00 1.03 0.00 0.87 -0.73 0.00 0.00 179.01 180.18 1n63 h LYS 17 N 0.81 0.00 0.21 1.92 1.57 -2.03 -3.40 116.57 115.65 1n63 h LYS 17 Ca 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1n63 h LYS 17 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1n63 h LYS 17 CO 0.05 0.00 -0.10 1.25 -0.57 0.00 0.00 179.45 180.08 1n63 h LEU 18 N 0.00 -0.24 -1.62 2.94 5.85 -1.91 -3.34 115.31 116.99 1n63 h LEU 18 Ca 0.00 -0.23 -0.45 0.00 0.84 0.00 0.00 57.88 58.04 1n63 h LEU 18 Cb 0.79 0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.89 1n63 h LEU 18 CO 0.00 0.13 -0.83 0.00 -0.34 0.00 0.00 178.44 177.40 1n63 n GLN 19 N -5.06 -4.70 0.00 1.25 6.02 -1.26 -0.87 117.38 112.76 1n63 n GLN 19 Ca -0.09 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 1n63 n GLN 19 Cb 0.24 -5.12 0.00 0.00 1.02 0.00 0.00 30.24 26.38 1n63 n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n63 n GLY 20 N -1.67 0.55 3.61 1.08 0.00 -1.26 -4.52 105.19 102.98 1n63 n GLY 20 Ca -0.22 -1.79 -0.47 0.00 0.00 0.00 0.00 46.02 43.54 1n63 n GLY 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1n63 n MET 21 N 0.00 1.49 0.00 1.61 2.81 -1.13 -2.07 117.12 119.83 1n63 n MET 21 Ca 0.00 0.53 0.00 0.00 -1.81 0.00 0.00 57.70 56.42 1n63 n MET 21 Cb 0.00 -2.06 0.00 0.00 -0.71 0.00 0.00 33.22 30.45 1n63 n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n63 n GLY 22 N 1.90 2.26 3.78 3.03 0.00 0.98 -5.04 105.19 112.10 1n63 n GLY 22 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1n63 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 n LYS 24 N 0.01 3.72 -2.09 0.00 5.02 -1.26 -4.31 118.16 119.25 1n63 n LYS 24 Ca 0.05 -2.85 -0.42 0.00 -2.02 0.00 0.00 58.31 53.07 1n63 n LYS 24 Cb 0.50 -2.89 -0.03 0.00 -0.02 0.00 0.00 35.03 32.59 1n63 n LYS 24 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1n63 s ARG 25 N 1.25 4.28 0.49 1.97 3.52 -1.26 -4.95 118.95 124.25 1n63 s ARG 25 Ca 0.55 2.17 -0.22 0.00 -0.13 0.00 0.00 55.73 58.10 1n63 s ARG 25 Cb 0.16 -3.23 -0.07 0.00 -1.56 0.00 0.00 34.95 30.25 1n63 s ARG 25 CO -0.06 -0.50 1.14 0.15 -0.81 0.00 0.00 175.30 175.22 1n63 s LYS 26 N 1.16 3.64 0.14 5.12 -0.14 -1.26 -4.93 119.74 123.47 1n63 s LYS 26 Ca 0.66 1.68 -0.30 0.00 -1.36 0.00 0.00 55.97 56.65 1n63 s LYS 26 Cb -0.39 -2.25 -0.07 0.00 -1.68 0.00 0.00 37.83 33.44 1n63 s LYS 26 CO 0.30 -0.63 0.96 1.03 -0.76 0.00 0.00 175.35 176.25 1n63 s ARG 27 N -2.93 4.73 0.31 1.68 0.52 -1.26 -4.94 118.95 117.06 1n63 s ARG 27 Ca 0.67 1.47 0.14 0.00 -0.52 0.00 0.00 55.73 57.48 1n63 s ARG 27 Cb -0.26 -3.35 0.45 0.00 0.52 0.00 0.00 34.95 32.31 1n63 s ARG 27 CO 0.31 0.28 1.64 -0.39 0.02 0.00 0.00 175.30 177.15 1n63 h VAL 28 N 3.83 1.21 -0.05 3.52 -1.51 -1.92 -3.00 116.25 118.34 1n63 h VAL 28 Ca -0.43 -1.95 -0.03 0.00 -1.23 0.00 0.00 66.70 63.06 1n63 h VAL 28 Cb 1.21 2.10 -0.01 0.00 -2.13 0.00 0.00 31.29 32.46 1n63 h VAL 28 CO 0.71 0.52 -0.11 -0.33 -1.23 0.00 0.00 177.57 177.14 1n63 h GLU 29 N 0.00 0.07 -0.05 5.19 3.07 -1.93 -3.08 114.58 117.85 1n63 h GLU 29 Ca -0.01 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 1n63 h GLU 29 Cb 1.06 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 1n63 h GLU 29 CO 0.07 0.18 -0.20 -0.44 -1.40 0.00 0.00 179.01 177.22 1n63 h ASP 30 N 0.07 0.07 -0.17 1.42 3.32 -1.94 -2.54 116.42 116.65 1n63 h ASP 30 Ca 0.01 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1n63 h ASP 30 Cb 0.23 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1n63 h ASP 30 CO 0.01 0.27 -0.07 0.40 -1.72 0.00 0.00 179.24 178.14 1n63 h ILE 31 N 0.07 0.76 -0.06 0.35 1.08 -1.73 -0.86 117.51 117.12 1n63 h ILE 31 Ca 0.01 0.00 -0.21 0.00 -0.39 0.00 0.00 64.86 64.27 1n63 h ILE 31 Cb 0.40 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1n63 h ILE 31 CO 0.03 0.00 -0.84 0.08 -0.69 0.00 0.00 178.15 176.73 1n63 h ARG 32 N -0.05 0.50 -0.27 2.37 0.11 -1.73 -3.30 114.38 112.01 1n63 h ARG 32 Ca 0.09 -0.46 -0.12 0.00 0.10 0.00 0.00 59.98 59.59 1n63 h ARG 32 Cb 0.19 0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 1n63 h ARG 32 CO -0.20 1.10 -0.34 0.74 0.10 0.00 0.00 179.97 181.36 1n63 h PHE 33 N 0.32 0.68 0.00 4.08 0.04 -1.27 -0.30 116.94 120.48 1n63 h PHE 33 Ca -0.06 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.53 1n63 h PHE 33 Cb 1.45 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1n63 h PHE 33 CO 0.06 0.85 0.00 0.25 -0.60 0.00 0.00 178.31 178.87 1n63 n THR 34 N -4.06 0.70 -0.07 -1.55 -2.24 -0.35 -2.76 114.28 103.96 1n63 n THR 34 Ca -0.01 0.16 0.03 0.00 -2.27 0.00 0.00 64.05 61.96 1n63 n THR 34 Cb 0.48 -0.87 0.07 0.00 -2.10 0.00 0.00 70.33 67.92 1n63 n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n63 n GLN 35 N -1.60 2.75 -1.24 -0.78 6.02 -0.77 -4.99 117.38 116.77 1n63 n GLN 35 Ca 0.04 -1.71 -0.08 0.00 -0.01 0.00 0.00 57.00 55.24 1n63 n GLN 35 Cb 0.23 -1.13 -0.03 0.00 1.02 0.00 0.00 30.24 30.33 1n63 n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n63 n GLY 36 N 0.02 1.00 1.02 1.08 0.00 -1.01 -4.91 105.19 102.39 1n63 n GLY 36 Ca 0.06 -0.65 0.08 0.00 0.00 0.00 0.00 46.02 45.51 1n63 n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n63 n LYS 37 N -2.73 3.17 -0.86 1.61 4.76 -0.20 -4.95 118.16 118.97 1n63 n LYS 37 Ca -0.08 -2.89 -0.30 0.00 -2.87 0.00 0.00 58.31 52.17 1n63 n LYS 37 Cb 0.27 -1.90 0.18 0.00 -1.84 0.00 0.00 35.03 31.74 1n63 n LYS 37 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1n63 s GLY 38 N -1.80 1.62 -0.41 0.72 0.00 -1.22 -4.80 107.32 101.43 1n63 s GLY 38 Ca 0.44 0.11 0.02 0.00 0.00 0.00 0.00 44.72 45.28 1n63 s GLY 38 CO 0.10 0.64 0.20 0.21 0.00 0.00 0.00 173.10 174.25 1n63 s ASN 39 N -2.93 3.80 0.30 1.64 2.47 -1.26 -5.05 114.94 113.91 1n63 s ASN 39 Ca 0.66 -2.42 0.04 0.00 0.42 0.00 0.00 52.86 51.57 1n63 s ASN 39 Cb -0.21 -1.04 -0.02 0.00 -1.45 0.00 0.00 41.25 38.52 1n63 s ASN 39 CO 0.60 -0.30 0.45 -0.31 -3.72 0.00 0.00 177.10 173.81 1n63 s TYR 40 N 0.62 3.33 0.23 0.43 1.51 -1.26 -0.98 117.35 121.23 1n63 s TYR 40 Ca 0.16 -0.01 -0.06 0.00 -1.01 0.00 0.00 57.07 56.15 1n63 s TYR 40 Cb -0.23 -1.81 0.37 0.00 -0.11 0.00 0.00 41.96 40.18 1n63 s TYR 40 CO -0.05 0.19 1.76 0.28 -1.11 0.00 0.00 175.55 176.61 1n63 h VAL 41 N 0.96 0.76 0.00 0.71 2.07 -1.95 0.98 116.25 119.78 1n63 h VAL 41 Ca -0.49 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1n63 h VAL 41 Cb 1.24 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1n63 h VAL 41 CO 0.58 0.09 0.00 -0.67 0.02 0.00 0.00 177.57 177.60 1n63 n ASP 42 N -4.93 0.00 0.00 0.57 2.03 -1.26 -1.10 116.55 111.86 1n63 n ASP 42 Ca 0.12 -0.42 0.13 0.00 0.52 0.00 0.00 54.79 55.13 1n63 n ASP 42 Cb 0.33 -0.13 0.41 0.00 -0.72 0.00 0.00 41.12 41.00 1n63 n ASP 42 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1n63 n ASP 43 N -1.13 0.30 -4.73 1.67 8.00 0.34 -4.85 116.55 116.14 1n63 n ASP 43 Ca 0.15 0.10 -0.41 0.00 0.71 0.00 0.00 54.79 55.33 1n63 n ASP 43 Cb 0.13 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.10 1n63 n ASP 43 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1n63 s VAL 44 N -3.01 4.18 -0.11 2.53 1.01 -0.26 -4.99 120.40 119.75 1n63 s VAL 44 Ca 0.12 1.83 -0.02 0.00 0.00 0.00 0.00 61.98 63.92 1n63 s VAL 44 Cb 0.18 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.42 1n63 s VAL 44 CO 0.63 0.29 0.00 -0.54 0.00 0.00 0.00 175.10 175.49 1n63 s LYS 45 N -0.15 0.71 0.19 2.72 1.02 -1.26 -5.09 119.74 117.88 1n63 s LYS 45 Ca 0.48 -0.08 0.10 0.00 0.02 0.00 0.00 55.97 56.49 1n63 s LYS 45 Cb -0.26 -1.37 -0.04 0.00 -0.52 0.00 0.00 37.83 35.64 1n63 s LYS 45 CO 0.32 -0.40 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.70 1n63 s LEU 46 N 1.91 2.79 0.26 3.17 1.43 -1.26 -5.09 118.68 121.89 1n63 s LEU 46 Ca 0.03 -0.70 -0.31 0.00 -1.03 0.00 0.00 54.13 52.13 1n63 s LEU 46 Cb -0.14 -1.47 -0.12 0.00 0.03 0.00 0.00 46.19 44.49 1n63 s LEU 46 CO -0.06 0.10 1.66 -2.84 0.23 0.00 0.00 176.35 175.44 1n63 s PRO 47 N -2.84 4.11 0.00 1.29 0.02 -1.26 -1.94 135.00 134.38 1n63 s PRO 47 Ca 0.24 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.87 1n63 s PRO 47 Cb -0.08 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1n63 s PRO 47 CO 0.14 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 1n63 n GLY 48 N 2.94 0.55 3.73 0.52 0.00 -1.26 -4.56 105.19 107.12 1n63 n GLY 48 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1n63 n GLY 48 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1n63 s MET 49 N -0.36 4.28 0.46 1.61 0.00 -0.82 -4.30 119.30 120.17 1n63 s MET 49 Ca 0.00 2.22 0.08 0.00 0.00 0.00 0.00 55.69 57.99 1n63 s MET 49 Cb 0.00 -3.17 0.02 0.00 0.00 0.00 0.00 34.83 31.68 1n63 s MET 49 CO 0.00 -0.46 0.55 -0.51 0.00 0.00 0.00 175.02 174.60 1n63 s LEU 50 N 0.54 3.40 -0.05 4.11 1.43 0.42 -4.91 118.68 123.61 1n63 s LEU 50 Ca 0.64 -0.66 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1n63 s LEU 50 Cb -0.40 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1n63 s LEU 50 CO 0.35 -0.88 -0.17 0.12 0.23 0.00 0.00 176.35 176.01 1n63 s PHE 51 N -2.48 1.74 0.04 0.29 2.19 -0.13 -0.97 117.98 118.66 1n63 s PHE 51 Ca 0.53 -0.56 0.08 0.00 0.33 0.00 0.00 56.93 57.31 1n63 s PHE 51 Cb -0.07 -1.19 -0.03 0.00 -1.31 0.00 0.00 43.02 40.42 1n63 s PHE 51 CO 0.32 -0.22 -0.23 0.20 1.83 0.00 0.00 175.22 177.12 1n63 s GLY 52 N 0.21 1.45 0.27 13.12 0.00 0.35 -0.60 107.32 122.12 1n63 s GLY 52 Ca -0.08 -1.23 -0.20 0.00 0.00 0.00 0.00 44.72 43.21 1n63 s GLY 52 CO 0.03 -1.11 0.69 -0.35 0.00 0.00 0.00 173.10 172.37 1n63 s ASP 53 N -1.26 -0.25 0.04 1.64 2.15 -0.35 -4.38 116.67 114.26 1n63 s ASP 53 Ca 0.13 -0.62 -0.10 0.00 0.43 0.00 0.00 52.55 52.38 1n63 s ASP 53 Cb -0.10 0.71 -0.05 0.00 -0.30 0.00 0.00 42.92 43.18 1n63 s ASP 53 CO 0.03 -1.32 0.36 -0.36 -0.17 0.00 0.00 175.17 173.70 1n63 s PHE 54 N -3.92 3.61 -0.08 -5.34 0.08 -1.26 -0.78 117.98 110.29 1n63 s PHE 54 Ca 0.12 0.77 -0.30 0.00 0.12 0.00 0.00 56.93 57.64 1n63 s PHE 54 Cb -0.05 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.24 1n63 s PHE 54 CO 0.07 0.58 1.03 0.08 -0.10 0.00 0.00 175.22 176.87 1n63 s VAL 55 N -1.29 4.72 0.21 -0.44 1.01 0.17 -4.97 120.40 119.82 1n63 s VAL 55 Ca 0.29 1.98 0.11 0.00 0.00 0.00 0.00 61.98 64.36 1n63 s VAL 55 Cb -0.14 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 1n63 s VAL 55 CO 0.16 0.04 -0.21 -0.13 0.00 0.00 0.00 175.10 174.95 1n63 s ARG 56 N 1.82 1.50 0.11 2.72 0.52 -1.26 -0.47 118.95 123.89 1n63 s ARG 56 Ca 0.50 -1.58 -0.31 0.00 -0.52 0.00 0.00 55.73 53.83 1n63 s ARG 56 Cb -0.20 -1.66 -0.07 0.00 0.52 0.00 0.00 34.95 33.54 1n63 s ARG 56 CO 0.21 0.34 1.27 0.45 0.02 0.00 0.00 175.30 177.58 1n63 s SER 57 N -2.96 6.98 0.38 0.23 0.15 0.32 -4.84 113.70 113.96 1n63 s SER 57 Ca 0.22 2.19 0.24 0.00 0.70 0.00 0.00 55.95 59.30 1n63 s SER 57 Cb -0.06 -2.59 0.45 0.00 -1.71 0.00 0.00 66.02 62.11 1n63 s SER 57 CO 0.10 -0.52 1.65 0.77 1.20 0.00 0.00 173.24 176.45 1n63 h SER 58 N 6.39 0.00 -3.11 5.45 4.64 -1.92 0.21 113.55 125.21 1n63 h SER 58 Ca -0.43 -0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.23 1n63 h SER 58 Cb 1.21 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.19 1n63 h SER 58 CO 0.81 0.00 -0.58 -1.00 -0.87 0.00 0.00 176.83 175.20 1n63 s HIS 59 N -3.18 3.29 0.18 4.77 3.76 -1.26 -4.87 115.29 117.97 1n63 s HIS 59 Ca 0.08 0.26 0.06 0.00 -0.15 0.00 0.00 55.06 55.31 1n63 s HIS 59 Cb 0.07 -1.80 0.01 0.00 1.11 0.00 0.00 32.58 31.97 1n63 s HIS 59 CO 0.65 0.55 1.40 0.00 -0.85 0.00 0.00 174.74 176.50 1n63 h ALA 60 N 4.74 0.57 -1.64 -1.40 0.00 -1.82 -3.26 119.26 116.45 1n63 h ALA 60 Ca -0.51 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 53.61 1n63 h ALA 60 Cb 1.20 -0.11 -0.25 0.00 0.00 0.00 0.00 17.79 18.62 1n63 h ALA 60 CO 0.58 1.00 -0.36 -1.58 0.00 0.00 0.00 179.25 178.89 1n63 s HIS 61 N -3.12 -1.16 -0.09 0.00 2.46 -1.26 -2.36 115.29 109.75 1n63 s HIS 61 Ca -0.01 1.38 -0.30 0.00 0.47 0.00 0.00 55.06 56.60 1n63 s HIS 61 Cb 0.11 0.33 0.11 0.00 -0.13 0.00 0.00 32.58 32.99 1n63 s HIS 61 CO 0.81 -0.75 0.88 0.00 -2.47 0.00 0.00 174.74 173.21 1n63 s ALA 62 N 2.70 -1.86 0.30 1.58 0.00 -0.92 -1.10 121.76 122.47 1n63 s ALA 62 Ca 0.12 1.39 -0.27 0.00 0.00 0.00 0.00 51.96 53.20 1n63 s ALA 62 Cb -0.15 -0.28 -0.10 0.00 0.00 0.00 0.00 23.12 22.59 1n63 s ALA 62 CO -0.18 -0.40 0.93 1.03 0.00 0.00 0.00 175.76 177.14 1n63 s ARG 63 N -1.55 4.63 -0.35 0.00 0.52 0.84 -0.74 118.95 122.31 1n63 s ARG 63 Ca -0.03 1.34 -0.20 0.00 -0.52 0.00 0.00 55.73 56.32 1n63 s ARG 63 Cb -0.00 -2.91 0.00 0.00 0.52 0.00 0.00 34.95 32.56 1n63 s ARG 63 CO 0.02 0.34 0.63 0.42 0.02 0.00 0.00 175.30 176.73 1n63 s ILE 64 N -1.51 4.90 -0.05 1.52 1.01 0.13 -0.66 121.20 126.53 1n63 s ILE 64 Ca 0.48 0.60 -0.01 0.00 0.00 0.00 0.00 60.65 61.71 1n63 s ILE 64 Cb -0.20 -4.07 -0.26 0.00 0.01 0.00 0.00 42.46 37.94 1n63 s ILE 64 CO 0.25 -0.30 0.63 0.11 0.00 0.00 0.00 174.94 175.64 1n63 h LYS 65 N 8.44 0.21 -1.96 2.79 1.79 -0.22 -3.46 116.57 124.17 1n63 h LYS 65 Ca -0.26 -0.35 -0.03 0.00 -2.18 0.00 0.00 60.65 57.82 1n63 h LYS 65 Cb 1.11 0.13 -0.21 0.00 -1.58 0.00 0.00 32.23 31.68 1n63 h LYS 65 CO 0.83 1.02 0.18 0.45 -1.08 0.00 0.00 179.45 180.85 1n63 s SER 66 N -6.82 -0.69 -0.16 0.86 0.15 -1.13 -4.97 113.70 100.94 1n63 s SER 66 Ca -0.13 1.21 0.02 0.00 0.70 0.00 0.00 55.95 57.74 1n63 s SER 66 Cb 0.07 1.18 0.01 0.00 -1.71 0.00 0.00 66.02 65.57 1n63 s SER 66 CO 0.82 -0.33 -0.21 -0.63 1.20 0.00 0.00 173.24 174.10 1n63 s ILE 67 N -0.03 2.12 -0.34 6.45 1.01 -1.26 -0.09 121.20 129.06 1n63 s ILE 67 Ca -0.02 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 1n63 s ILE 67 Cb -0.04 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.57 1n63 s ILE 67 CO 0.03 0.54 0.19 -0.62 0.00 0.00 0.00 174.94 175.08 1n63 s ASP 68 N 1.01 5.72 0.00 3.58 3.68 0.11 -4.92 116.67 125.84 1n63 s ASP 68 Ca -0.02 -0.68 0.14 0.00 2.13 0.00 0.00 52.55 54.13 1n63 s ASP 68 Cb -0.15 -2.04 0.28 0.00 -1.45 0.00 0.00 42.92 39.57 1n63 s ASP 68 CO -0.06 -0.28 1.18 0.35 0.13 0.00 0.00 175.17 176.49 1n63 n THR 69 N 5.02 0.58 -0.15 1.71 -2.24 -1.26 -1.72 114.28 116.22 1n63 n THR 69 Ca -0.13 -0.79 -0.11 0.00 -2.27 0.00 0.00 64.05 60.75 1n63 n THR 69 Cb 0.48 0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 69.54 1n63 n THR 69 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1n63 h SER 70 N 2.77 0.82 -0.84 3.42 4.64 -1.91 -1.07 113.55 121.38 1n63 h SER 70 Ca 0.00 -0.35 -0.03 0.00 -0.47 0.00 0.00 61.79 60.94 1n63 h SER 70 Cb 0.73 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.55 1n63 h SER 70 CO 0.00 0.98 0.42 0.11 -0.87 0.00 0.00 176.83 177.47 1n63 h LYS 71 N 0.65 1.21 -0.34 4.77 1.57 -1.85 -2.05 116.57 120.53 1n63 h LYS 71 Ca 0.11 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1n63 h LYS 71 Cb 0.61 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1n63 h LYS 71 CO 0.04 0.92 0.02 0.00 -0.57 0.00 0.00 179.45 179.85 1n63 h ALA 72 N 1.26 0.45 -0.16 3.86 0.00 -1.70 -2.85 119.26 120.12 1n63 h ALA 72 Ca 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1n63 h ALA 72 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1n63 h ALA 72 CO -0.04 0.19 -0.00 0.87 0.00 0.00 0.00 179.25 180.27 1n63 h LYS 73 N 0.40 0.23 0.00 0.00 1.57 -1.05 -2.01 116.57 115.71 1n63 h LYS 73 Ca 0.10 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1n63 h LYS 73 Cb 0.42 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1n63 h LYS 73 CO 0.01 0.26 0.00 0.00 -0.57 0.00 0.00 179.45 179.15 1n63 n ALA 74 N -2.50 2.34 -2.50 3.86 0.00 -0.79 -4.77 120.51 116.15 1n63 n ALA 74 Ca -0.01 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1n63 n ALA 74 Cb 0.17 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 1n63 n ALA 74 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1n63 s LEU 75 N -2.89 4.38 0.30 0.00 2.96 -0.76 -4.94 118.68 117.72 1n63 s LEU 75 Ca 0.17 1.90 -0.29 0.00 -0.22 0.00 0.00 54.13 55.69 1n63 s LEU 75 Cb 0.19 -3.58 -0.13 0.00 0.50 0.00 0.00 46.19 43.18 1n63 s LEU 75 CO 0.50 -0.39 1.34 -2.65 -1.32 0.00 0.00 176.35 173.84 1n63 n PRO 76 N 3.85 2.10 -0.30 0.98 -0.02 -1.26 -1.80 135.00 138.56 1n63 n PRO 76 Ca 0.08 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1n63 n PRO 76 Cb 0.48 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1n63 n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n63 n GLY 77 N 1.38 1.00 3.76 -1.23 0.00 -1.26 -4.99 105.19 103.85 1n63 n GLY 77 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1n63 n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n63 s VAL 78 N -2.77 5.17 -0.12 1.61 1.01 -0.75 -0.96 120.40 123.59 1n63 s VAL 78 Ca 0.00 0.81 0.08 0.00 0.00 0.00 0.00 61.98 62.87 1n63 s VAL 78 Cb 0.00 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.52 1n63 s VAL 78 CO 0.00 0.42 -0.00 0.49 0.00 0.00 0.00 175.10 176.01 1n63 n PHE 79 N 3.06 0.00 -3.62 5.22 3.01 0.70 -4.91 117.46 120.91 1n63 n PHE 79 Ca -0.11 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.22 1n63 n PHE 79 Cb 0.52 -0.57 -0.06 0.00 -0.01 0.00 0.00 39.48 39.36 1n63 n PHE 79 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1n63 s ALA 80 N -2.28 -1.17 -0.26 4.37 0.00 -1.10 -5.01 121.76 116.31 1n63 s ALA 80 Ca -0.09 0.47 -0.02 0.00 0.00 0.00 0.00 51.96 52.32 1n63 s ALA 80 Cb 0.04 0.34 0.09 0.00 0.00 0.00 0.00 23.12 23.58 1n63 s ALA 80 CO 0.44 -0.47 0.08 0.08 0.00 0.00 0.00 175.76 175.90 1n63 s VAL 81 N -2.36 0.55 0.17 0.00 1.01 -1.26 -0.78 120.40 117.73 1n63 s VAL 81 Ca -0.06 -0.97 -0.24 0.00 0.00 0.00 0.00 61.98 60.71 1n63 s VAL 81 Cb -0.01 -1.30 -0.08 0.00 0.00 0.00 0.00 36.38 34.99 1n63 s VAL 81 CO -0.01 -0.52 0.75 -0.76 0.00 0.00 0.00 175.10 174.56 1n63 s LEU 82 N 1.80 4.55 0.41 3.92 1.43 0.08 -4.89 118.68 125.99 1n63 s LEU 82 Ca 0.06 1.58 0.04 0.00 -1.03 0.00 0.00 54.13 54.78 1n63 s LEU 82 Cb -0.17 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 1n63 s LEU 82 CO -0.22 0.19 0.06 0.42 0.23 0.00 0.00 176.35 177.04 1n63 s THR 83 N -1.20 1.08 0.56 5.49 -4.23 -1.26 -0.90 115.64 115.18 1n63 s THR 83 Ca 0.36 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.15 1n63 s THR 83 Cb -0.22 -2.52 0.40 0.00 1.34 0.00 0.00 72.50 71.50 1n63 s THR 83 CO 0.25 0.00 1.96 0.00 -0.54 0.00 0.00 174.62 176.29 1n63 h ALA 84 N 1.78 2.36 -0.10 3.99 0.00 -1.78 -0.41 119.26 125.10 1n63 h ALA 84 Ca -0.40 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1n63 h ALA 84 Cb 1.27 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1n63 h ALA 84 CO 0.68 -0.69 -0.09 0.00 0.00 0.00 0.00 179.25 179.15 1n63 h ALA 85 N 1.63 1.68 0.00 0.00 0.00 -1.94 0.23 119.26 120.86 1n63 h ALA 85 Ca 0.24 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1n63 h ALA 85 Cb 1.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1n63 h ALA 85 CO -0.00 0.24 -0.37 -0.44 0.00 0.00 0.00 179.25 178.67 1n63 h ASP 86 N 0.14 0.00 0.40 0.00 3.32 -1.47 -3.35 116.42 115.46 1n63 h ASP 86 Ca 0.03 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.77 1n63 h ASP 86 Cb 0.25 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 1n63 h ASP 86 CO 0.01 0.37 -1.76 -0.07 -1.72 0.00 0.00 179.24 176.08 1n63 h LEU 87 N 0.00 0.14 -0.71 1.55 3.38 -1.11 -3.40 115.31 115.16 1n63 h LEU 87 Ca -0.00 -0.30 0.12 0.00 0.09 0.00 0.00 57.88 57.79 1n63 h LEU 87 Cb 1.25 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.87 1n63 h LEU 87 CO 0.05 1.27 0.28 0.11 0.09 0.00 0.00 178.44 180.24 1n63 h LYS 88 N 0.02 0.43 0.00 1.13 1.57 -1.16 0.34 116.57 118.90 1n63 h LYS 88 Ca -0.31 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1n63 h LYS 88 Cb 2.01 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 34.23 1n63 h LYS 88 CO 0.09 0.28 -0.01 -1.35 -0.57 0.00 0.00 179.45 177.89 1n63 h PRO 89 N 0.44 0.00 -0.41 3.15 0.11 -1.77 0.63 132.00 134.15 1n63 h PRO 89 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1n63 h PRO 89 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1n63 h PRO 89 CO -0.37 0.01 0.00 1.28 -0.21 0.00 0.00 178.00 178.71 1n63 n LEU 90 N -3.40 3.01 -4.35 2.35 4.77 0.03 -4.94 117.00 114.46 1n63 n LEU 90 Ca -0.03 -1.36 -0.37 0.00 -0.03 0.00 0.00 56.01 54.23 1n63 n LEU 90 Cb 0.10 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 1n63 n LEU 90 CO 0.24 0.68 -0.19 -3.20 -1.33 0.00 0.00 177.39 173.59 1n63 n ASN 91 N 1.18 -1.61 -0.24 -1.43 5.15 0.21 -4.91 115.26 113.62 1n63 n ASN 91 Ca 0.19 -1.16 0.06 0.00 -0.60 0.00 0.00 54.58 53.07 1n63 n ASN 91 Cb 0.52 -2.08 0.11 0.00 -0.53 0.00 0.00 39.78 37.80 1n63 n ASN 91 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1n63 n LEU 92 N -4.29 2.52 0.13 1.20 4.77 -0.75 -4.62 117.00 115.97 1n63 n LEU 92 Ca -0.02 -2.56 0.13 0.00 -0.03 0.00 0.00 56.01 53.52 1n63 n LEU 92 Cb 0.53 -0.27 0.46 0.00 -2.33 0.00 0.00 43.42 41.81 1n63 n LEU 92 CO 0.89 0.63 0.88 1.12 -1.33 0.00 0.00 177.39 179.58 1n63 h HIS 93 N 0.52 0.00 -3.85 -1.77 2.07 -1.87 -3.43 115.15 106.82 1n63 h HIS 93 Ca 0.00 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.00 1n63 h HIS 93 Cb 0.86 0.00 -0.21 0.00 2.57 0.00 0.00 27.41 30.63 1n63 h HIS 93 CO 0.10 0.00 -0.81 0.71 -3.07 0.00 0.00 177.93 174.86 1n63 s TYR 94 N -3.26 1.65 0.18 6.12 2.02 -1.26 -0.63 117.35 122.17 1n63 s TYR 94 Ca 0.06 -0.44 0.10 0.00 -0.37 0.00 0.00 57.07 56.42 1n63 s TYR 94 Cb 0.10 -0.90 -0.04 0.00 -0.40 0.00 0.00 41.96 40.72 1n63 s TYR 94 CO 0.48 0.18 -0.21 0.00 -1.57 0.00 0.00 175.55 174.44 1n63 s MET 95 N -2.01 1.41 0.55 -0.62 0.23 -0.05 -4.85 119.30 113.95 1n63 s MET 95 Ca 0.06 -1.47 -0.17 0.00 -1.03 0.00 0.00 55.69 53.07 1n63 s MET 95 Cb -0.09 -1.60 -0.06 0.00 -1.53 0.00 0.00 34.83 31.55 1n63 s MET 95 CO 0.04 0.34 1.04 -1.25 -2.03 0.00 0.00 175.02 173.16 1n63 s PRO 96 N -2.74 3.55 0.36 3.16 0.04 -1.26 -0.90 135.00 137.21 1n63 s PRO 96 Ca 0.19 1.20 0.08 0.00 0.04 0.00 0.00 61.00 62.51 1n63 s PRO 96 Cb -0.07 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1n63 s PRO 96 CO 0.08 -0.62 0.16 0.95 0.04 0.00 0.00 177.00 177.62 1n63 s THR 97 N -2.36 2.83 0.42 1.26 -4.23 -0.20 -4.80 115.64 108.57 1n63 s THR 97 Ca 0.64 -1.68 0.39 0.00 -1.18 0.00 0.00 61.69 59.86 1n63 s THR 97 Cb -0.15 -2.98 0.42 0.00 1.34 0.00 0.00 72.50 71.13 1n63 s THR 97 CO 0.32 -0.13 2.20 -0.07 -0.54 0.00 0.00 174.62 176.39 1n63 h LEU 98 N 1.49 0.00 -0.76 4.79 3.38 -1.83 -1.99 115.31 120.39 1n63 h LEU 98 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1n63 h LEU 98 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1n63 h LEU 98 CO 0.64 0.01 0.00 0.00 0.09 0.00 0.00 178.44 179.18 1n63 n ALA 99 N -2.09 2.58 -1.07 1.53 0.00 -1.23 -4.62 120.51 115.61 1n63 n ALA 99 Ca -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 53.44 53.00 1n63 n ALA 99 Cb 0.18 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 1n63 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n63 n GLY 100 N 1.10 0.56 0.00 0.00 0.00 -0.75 -5.01 105.19 101.09 1n63 n GLY 100 Ca 0.18 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1n63 n GLY 100 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n63 n ASP 101 N 1.50 0.36 -4.31 1.61 2.03 -1.26 -4.91 116.55 111.56 1n63 n ASP 101 Ca -0.02 -0.46 -0.17 0.00 0.52 0.00 0.00 54.79 54.66 1n63 n ASP 101 Cb 0.08 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.38 1n63 n ASP 101 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1n63 s VAL 102 N 1.28 1.29 0.01 5.18 -7.23 -1.26 -1.03 120.40 118.64 1n63 s VAL 102 Ca 0.00 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.10 1n63 s VAL 102 Cb 0.00 -2.09 -0.01 0.00 0.56 0.00 0.00 36.38 34.84 1n63 s VAL 102 CO 0.00 -0.55 -0.06 -1.58 -0.31 0.00 0.00 175.10 172.60 1n63 s GLN 103 N -3.76 0.48 0.14 4.82 0.74 -0.08 -4.60 119.66 117.39 1n63 s GLN 103 Ca 0.22 -0.33 -0.31 0.00 0.05 0.00 0.00 55.36 54.99 1n63 s GLN 103 Cb 0.03 -0.41 -0.09 0.00 1.10 0.00 0.00 33.01 33.63 1n63 s GLN 103 CO 0.05 0.11 1.52 0.00 -0.55 0.00 0.00 175.29 176.42 1n63 s ALA 104 N -0.41 3.71 -0.14 1.58 0.00 -1.26 -0.88 121.76 124.36 1n63 s ALA 104 Ca -0.00 1.27 -0.18 0.00 0.00 0.00 0.00 51.96 53.05 1n63 s ALA 104 Cb -0.04 -3.60 -0.15 0.00 0.00 0.00 0.00 23.12 19.33 1n63 s ALA 104 CO -0.00 -0.76 0.36 0.28 0.00 0.00 0.00 175.76 175.64 1n63 h VAL 105 N 4.17 0.95 -3.90 0.00 2.07 -1.14 -3.46 116.25 114.95 1n63 h VAL 105 Ca -0.42 -1.80 -0.56 0.00 0.82 0.00 0.00 66.70 64.74 1n63 h VAL 105 Cb 1.20 1.89 -0.31 0.00 -1.52 0.00 0.00 31.29 32.55 1n63 h VAL 105 CO 0.90 0.32 -0.84 -0.76 0.02 0.00 0.00 177.57 177.22 1n63 s LEU 106 N -8.25 1.91 0.26 2.57 1.43 -1.24 -4.70 118.68 110.66 1n63 s LEU 106 Ca -0.15 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 1n63 s LEU 106 Cb -0.00 -0.96 -0.11 0.00 0.03 0.00 0.00 46.19 45.15 1n63 s LEU 106 CO 0.43 0.15 1.54 0.00 0.23 0.00 0.00 176.35 178.71 1n63 s ALA 107 N 0.04 3.72 0.00 4.21 0.00 -0.46 -4.52 121.76 124.74 1n63 s ALA 107 Ca -0.04 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1n63 s ALA 107 Cb -0.11 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1n63 s ALA 107 CO 0.02 -0.88 0.00 -3.47 0.00 0.00 0.00 175.76 171.43 1n63 n ASP 108 N 2.47 0.00 0.00 0.00 2.03 -1.26 -4.40 116.55 115.39 1n63 n ASP 108 Ca 0.08 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.36 1n63 n ASP 108 Cb 0.38 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.67 1n63 n ASP 108 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1n63 n GLU 109 N -1.13 0.63 -3.81 -0.67 1.02 -1.26 -4.73 120.64 110.69 1n63 n GLU 109 Ca 0.00 0.23 -0.10 0.00 -0.02 0.00 0.00 57.16 57.27 1n63 n GLU 109 Cb 0.00 -1.78 -0.07 0.00 -0.02 0.00 0.00 31.44 29.57 1n63 n GLU 109 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1n63 s LYS 110 N -2.78 0.80 -0.01 3.49 -2.85 -1.26 -0.69 119.74 116.44 1n63 s LYS 110 Ca -0.04 -0.72 -0.02 0.00 -1.00 0.00 0.00 55.97 54.19 1n63 s LYS 110 Cb 0.08 0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 36.15 1n63 s LYS 110 CO 0.82 -0.25 0.16 0.14 0.10 0.00 0.00 175.35 176.32 1n63 s VAL 111 N -3.10 5.27 0.00 1.79 -7.23 0.09 -4.77 120.40 112.44 1n63 s VAL 111 Ca -0.01 -0.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 1n63 s VAL 111 Cb 0.01 -3.45 0.00 0.00 0.56 0.00 0.00 36.38 33.50 1n63 s VAL 111 CO -0.07 0.32 0.12 0.18 -0.31 0.00 0.00 175.10 175.34 1n63 n LEU 112 N 0.98 0.23 -3.71 1.32 4.77 -1.25 -2.16 117.00 117.19 1n63 n LEU 112 Ca -0.11 -0.49 -0.14 0.00 -0.03 0.00 0.00 56.01 55.24 1n63 n LEU 112 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1n63 n LEU 112 CO 0.43 0.06 0.11 0.72 -1.33 0.00 0.00 177.39 177.38 1n63 s PHE 113 N -0.51 -0.31 0.24 -1.77 -0.12 -1.00 -3.65 117.98 110.86 1n63 s PHE 113 Ca 0.00 0.53 -0.30 0.00 -0.05 0.00 0.00 56.93 57.11 1n63 s PHE 113 Cb 0.00 0.17 -0.10 0.00 -0.63 0.00 0.00 43.02 42.46 1n63 s PHE 113 CO 0.00 -0.42 1.47 -1.14 -0.05 0.00 0.00 175.22 175.08 1n63 s GLN 114 N -1.14 4.25 0.00 1.99 0.74 -1.23 -1.82 119.66 122.46 1n63 s GLN 114 Ca -0.12 2.32 0.00 0.00 0.05 0.00 0.00 55.36 57.62 1n63 s GLN 114 Cb -0.04 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.96 1n63 s GLN 114 CO 0.05 -0.46 0.00 0.09 -0.55 0.00 0.00 175.29 174.42 1n63 n ASN 115 N 2.60 -1.35 -4.73 6.67 5.03 0.72 -4.88 115.26 119.33 1n63 n ASN 115 Ca 0.08 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.14 1n63 n ASN 115 Cb 0.40 -0.23 0.04 0.00 -1.02 0.00 0.00 39.78 38.98 1n63 n ASN 115 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1n63 n GLN 116 N -2.45 1.61 -2.07 3.52 7.27 -0.75 -4.35 117.38 120.16 1n63 n GLN 116 Ca 0.00 0.59 -0.42 0.00 0.07 0.00 0.00 57.00 57.25 1n63 n GLN 116 Cb 0.00 -2.53 -0.03 0.00 2.41 0.00 0.00 30.24 30.10 1n63 n GLN 116 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1n63 s GLU 117 N -2.85 4.29 0.00 3.69 8.01 -1.26 -0.53 118.70 130.04 1n63 s GLU 117 Ca 0.72 2.21 0.00 0.00 0.01 0.00 0.00 54.97 57.91 1n63 s GLU 117 Cb -0.42 -3.18 0.00 0.00 -4.31 0.00 0.00 34.13 26.22 1n63 s GLU 117 CO 0.49 -0.45 0.00 0.28 0.01 0.00 0.00 175.26 175.59 1n63 n VAL 118 N 3.33 0.00 -3.66 2.63 0.31 0.38 -1.36 118.33 119.96 1n63 n VAL 118 Ca 0.10 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.31 1n63 n VAL 118 Cb 0.41 -0.78 -0.06 0.00 -0.91 0.00 0.00 33.84 32.50 1n63 n VAL 118 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n63 s ALA 119 N -1.92 -0.96 -0.27 3.52 0.00 -1.04 -4.35 121.76 116.74 1n63 s ALA 119 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.17 1n63 s ALA 119 Cb 0.00 0.43 0.07 0.00 0.00 0.00 0.00 23.12 23.62 1n63 s ALA 119 CO 0.00 -0.50 -0.03 0.12 0.00 0.00 0.00 175.76 175.35 1n63 s PHE 120 N -2.81 2.77 0.03 0.00 5.36 -0.08 -0.66 117.98 122.59 1n63 s PHE 120 Ca -0.03 -2.11 -0.19 0.00 -0.96 0.00 0.00 56.93 53.64 1n63 s PHE 120 Cb -0.00 -1.92 -0.06 0.00 -0.34 0.00 0.00 43.02 40.70 1n63 s PHE 120 CO -0.05 -0.84 0.56 0.08 -1.46 0.00 0.00 175.22 173.51 1n63 s VAL 121 N 1.26 4.84 -0.10 3.12 1.01 0.04 -0.74 120.40 129.83 1n63 s VAL 121 Ca -0.02 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.16 1n63 s VAL 121 Cb -0.19 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1n63 s VAL 121 CO -0.08 0.50 -0.14 -0.69 0.00 0.00 0.00 175.10 174.69 1n63 s VAL 122 N -0.74 1.41 0.24 2.92 1.01 0.04 -1.21 120.40 124.07 1n63 s VAL 122 Ca 0.29 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1n63 s VAL 122 Cb -0.19 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1n63 s VAL 122 CO 0.18 0.42 0.19 0.00 0.00 0.00 0.00 175.10 175.89 1n63 s ALA 123 N 0.97 1.26 0.36 5.51 0.00 0.23 -0.22 121.76 129.87 1n63 s ALA 123 Ca -0.07 -1.75 0.08 0.00 0.00 0.00 0.00 51.96 50.21 1n63 s ALA 123 Cb -0.15 1.39 0.78 0.00 0.00 0.00 0.00 23.12 25.14 1n63 s ALA 123 CO -0.01 -0.62 1.91 -0.22 0.00 0.00 0.00 175.76 176.82 1n63 h LYS 124 N 2.48 0.70 -3.26 0.00 3.64 -1.33 -0.31 116.57 118.49 1n63 h LYS 124 Ca -0.33 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 58.95 1n63 h LYS 124 Cb 1.25 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 1n63 h LYS 124 CO 0.48 0.46 0.16 0.16 -2.27 0.00 0.00 179.45 178.44 1n63 s ASP 125 N -5.98 0.16 0.51 4.20 1.47 -1.26 -4.45 116.67 111.32 1n63 s ASP 125 Ca -0.10 -1.15 0.32 0.00 1.18 0.00 0.00 52.55 52.79 1n63 s ASP 125 Cb 0.21 0.79 1.24 0.00 -0.34 0.00 0.00 42.92 44.82 1n63 s ASP 125 CO 0.78 -1.56 1.92 0.08 0.68 0.00 0.00 175.17 177.08 1n63 h ARG 126 N 2.03 0.00 0.10 2.11 0.11 -1.88 -0.92 114.38 115.94 1n63 h ARG 126 Ca -0.30 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.60 1n63 h ARG 126 Cb 1.25 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.35 1n63 h ARG 126 CO 0.38 0.00 -0.77 1.88 0.10 0.00 0.00 179.97 181.56 1n63 h TYR 127 N 0.00 0.59 -0.54 4.08 -1.99 -1.98 -2.21 116.97 114.92 1n63 h TYR 127 Ca 0.00 -0.39 -0.08 0.00 2.00 0.00 0.00 58.73 60.26 1n63 h TYR 127 Cb 0.54 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.21 1n63 h TYR 127 CO 0.00 1.27 0.01 0.28 -0.00 0.00 0.00 178.16 179.72 1n63 h VAL 128 N -0.26 1.26 -0.62 -2.88 2.07 -1.94 -2.11 116.25 111.78 1n63 h VAL 128 Ca -0.12 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.36 1n63 h VAL 128 Cb 1.55 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 1n63 h VAL 128 CO 0.15 0.39 0.34 0.00 0.02 0.00 0.00 177.57 178.46 1n63 h ALA 129 N 0.96 0.82 -0.78 1.67 0.00 -1.19 -0.50 119.26 120.25 1n63 h ALA 129 Ca 0.15 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1n63 h ALA 129 Cb 0.52 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1n63 h ALA 129 CO 0.03 0.01 0.39 0.00 0.00 0.00 0.00 179.25 179.67 1n63 h ALA 130 N 1.33 1.00 -0.28 0.00 0.00 -1.11 -0.70 119.26 119.50 1n63 h ALA 130 Ca 0.28 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1n63 h ALA 130 Cb 0.17 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1n63 h ALA 130 CO -0.18 0.55 0.07 -0.44 0.00 0.00 0.00 179.25 179.26 1n63 h ASP 131 N 1.09 0.04 0.37 0.00 3.32 -0.92 -3.01 116.42 117.32 1n63 h ASP 131 Ca 0.27 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 1n63 h ASP 131 Cb 0.10 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1n63 h ASP 131 CO -0.04 0.06 -0.42 0.00 -1.72 0.00 0.00 179.24 177.12 1n63 h ALA 132 N 1.19 1.25 -0.69 3.45 0.00 -0.70 -2.61 119.26 121.16 1n63 h ALA 132 Ca 0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1n63 h ALA 132 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1n63 h ALA 132 CO -0.15 0.55 0.35 0.82 0.00 0.00 0.00 179.25 180.82 1n63 h ILE 133 N 0.06 1.21 0.00 0.00 2.04 -1.00 -1.52 117.51 118.29 1n63 h ILE 133 Ca 0.00 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1n63 h ILE 133 Cb 0.77 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1n63 h ILE 133 CO 0.06 0.24 0.00 -0.33 0.00 0.00 0.00 178.15 178.12 1n63 h GLU 134 N 0.96 0.00 -0.00 2.37 4.39 -1.40 -2.74 114.58 118.16 1n63 h GLU 134 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1n63 h GLU 134 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1n63 h GLU 134 CO -0.04 0.00 -0.60 1.28 -1.16 0.00 0.00 179.01 178.49 1n63 n LEU 135 N -2.46 0.71 -4.72 1.33 4.77 -0.58 -4.86 117.00 111.20 1n63 n LEU 135 Ca 0.01 -0.17 -0.41 0.00 -0.03 0.00 0.00 56.01 55.41 1n63 n LEU 135 Cb 0.20 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1n63 n LEU 135 CO 0.19 0.17 0.65 -0.69 -1.33 0.00 0.00 177.39 176.38 1n63 s VAL 136 N -2.94 4.78 -0.21 4.08 1.01 -1.04 -4.40 120.40 121.68 1n63 s VAL 136 Ca 0.12 2.00 -0.03 0.00 0.00 0.00 0.00 61.98 64.06 1n63 s VAL 136 Cb 0.17 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1n63 s VAL 136 CO 0.72 0.22 -0.05 -1.61 0.00 0.00 0.00 175.10 174.38 1n63 s GLU 137 N 0.68 3.41 -0.13 2.72 2.02 -0.70 -4.99 118.70 121.72 1n63 s GLU 137 Ca 0.49 -0.62 -0.02 0.00 0.02 0.00 0.00 54.97 54.84 1n63 s GLU 137 Cb -0.21 -2.96 -0.03 0.00 0.10 0.00 0.00 34.13 31.03 1n63 s GLU 137 CO 0.28 -0.11 -0.06 0.08 0.02 0.00 0.00 175.26 175.46 1n63 s VAL 138 N 1.26 3.73 -0.24 2.63 1.01 -1.26 0.05 120.40 127.57 1n63 s VAL 138 Ca 0.03 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 1n63 s VAL 138 Cb -0.14 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1n63 s VAL 138 CO -0.02 0.53 0.08 -1.81 0.00 0.00 0.00 175.10 173.89 1n63 s ASP 139 N 0.02 5.33 0.23 3.32 1.11 0.87 -4.98 116.67 122.58 1n63 s ASP 139 Ca -0.01 -0.13 0.08 0.00 0.18 0.00 0.00 52.55 52.67 1n63 s ASP 139 Cb -0.14 -1.96 -0.04 0.00 1.07 0.00 0.00 42.92 41.86 1n63 s ASP 139 CO 0.03 0.00 0.08 -0.31 1.18 0.00 0.00 175.17 176.15 1n63 s TYR 140 N 1.41 2.91 -0.19 4.23 2.02 -1.26 0.54 117.35 127.00 1n63 s TYR 140 Ca 0.06 -0.15 -0.01 0.00 -0.37 0.00 0.00 57.07 56.60 1n63 s TYR 140 Cb -0.15 -1.33 0.05 0.00 -0.40 0.00 0.00 41.96 40.14 1n63 s TYR 140 CO 0.04 0.56 -0.02 -1.21 -1.57 0.00 0.00 175.55 173.35 1n63 s GLU 141 N -3.54 1.14 0.39 -0.62 0.41 0.16 -4.87 118.70 111.77 1n63 s GLU 141 Ca 0.31 -0.58 -0.27 0.00 -0.41 0.00 0.00 54.97 54.02 1n63 s GLU 141 Cb -0.08 -2.16 -0.09 0.00 -1.78 0.00 0.00 34.13 30.02 1n63 s GLU 141 CO 0.22 -0.55 1.36 -2.14 -0.49 0.00 0.00 175.26 173.65 1n63 s PRO 142 N 1.67 4.01 0.29 0.39 0.02 -1.26 -0.11 135.00 140.01 1n63 s PRO 142 Ca -0.02 2.30 0.10 0.00 0.02 0.00 0.00 61.00 63.40 1n63 s PRO 142 Cb -0.17 -2.84 -0.06 0.00 0.02 0.00 0.00 34.50 31.46 1n63 s PRO 142 CO -0.07 -0.51 -0.14 -0.51 -0.33 0.00 0.00 177.00 175.45 1n63 s LEU 143 N -2.30 2.62 0.20 -5.54 1.43 -0.26 -4.82 118.68 110.01 1n63 s LEU 143 Ca 0.55 -1.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.24 1n63 s LEU 143 Cb -0.41 -0.94 -0.09 0.00 0.03 0.00 0.00 46.19 44.78 1n63 s LEU 143 CO 0.54 -0.13 1.39 -2.84 0.23 0.00 0.00 176.35 175.54 1n63 s PRO 144 N -3.59 4.32 0.07 1.29 0.02 -1.26 -4.67 135.00 131.17 1n63 s PRO 144 Ca 0.30 2.17 -0.18 0.00 0.02 0.00 0.00 61.00 63.31 1n63 s PRO 144 Cb -0.01 -3.17 -0.07 0.00 0.02 0.00 0.00 34.50 31.28 1n63 s PRO 144 CO 0.14 -0.37 0.54 0.08 -0.33 0.00 0.00 177.00 177.06 1n63 s VAL 145 N 0.31 4.79 -0.26 3.83 1.01 -1.26 -4.86 120.40 123.96 1n63 s VAL 145 Ca 0.60 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.72 1n63 s VAL 145 Cb -0.39 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.19 1n63 s VAL 145 CO 0.38 0.53 -0.10 -0.22 0.00 0.00 0.00 175.10 175.69 1n63 s LEU 146 N -1.19 3.42 0.00 3.92 2.96 -1.26 -4.94 118.68 121.59 1n63 s LEU 146 Ca 0.29 -1.33 0.00 0.00 -0.22 0.00 0.00 54.13 52.87 1n63 s LEU 146 Cb -0.19 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 44.94 1n63 s LEU 146 CO 0.18 -0.19 0.00 1.33 -1.32 0.00 0.00 176.35 176.36 1n63 n VAL 147 N 4.47 0.00 -3.17 1.68 0.24 -1.26 -0.85 118.33 119.44 1n63 n VAL 147 Ca -0.14 -0.04 -0.43 0.00 -2.04 0.00 0.00 64.34 61.69 1n63 n VAL 147 Cb 0.43 0.51 -0.07 0.00 -1.47 0.00 0.00 33.84 33.24 1n63 n VAL 147 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1n63 s ASP 148 N -1.81 6.28 0.55 -1.34 -1.08 -1.26 -4.92 116.67 113.08 1n63 s ASP 148 Ca 0.00 -0.49 0.29 0.00 -0.52 0.00 0.00 52.55 51.83 1n63 s ASP 148 Cb 0.00 -2.29 1.63 0.00 -1.46 0.00 0.00 42.92 40.80 1n63 s ASP 148 CO 0.00 -0.74 2.15 1.55 0.52 0.00 0.00 175.17 178.65 1n63 h PRO 149 N 8.85 0.00 0.00 4.34 0.13 -1.94 -0.55 132.00 142.83 1n63 h PRO 149 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1n63 h PRO 149 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1n63 h PRO 149 CO 0.87 0.07 0.00 0.74 -0.23 0.00 0.00 178.00 179.46 1n63 h PHE 150 N 0.00 0.00 -0.02 1.56 -1.00 -1.99 -2.06 116.94 113.42 1n63 h PHE 150 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1n63 h PHE 150 Cb 0.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.77 1n63 h PHE 150 CO 0.00 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 178.33 1n63 n LYS 151 N -2.75 1.38 0.26 1.51 5.02 -0.22 -4.66 118.16 118.70 1n63 n LYS 151 Ca -0.01 -1.52 0.14 0.00 -2.02 0.00 0.00 58.31 54.90 1n63 n LYS 151 Cb 0.17 -1.33 0.62 0.00 -0.02 0.00 0.00 35.03 34.47 1n63 n LYS 151 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n63 h ALA 152 N 3.36 1.04 -0.19 7.82 0.00 -1.29 -2.77 119.26 127.23 1n63 h ALA 152 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1n63 h ALA 152 Cb 0.71 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1n63 h ALA 152 CO 0.00 0.13 -0.04 -1.33 0.00 0.00 0.00 179.25 178.01 1n63 n MET 153 N -3.28 2.19 -1.46 0.00 2.81 -1.26 -4.54 117.12 111.58 1n63 n MET 153 Ca -0.00 -2.87 -0.31 0.00 -1.81 0.00 0.00 57.70 52.71 1n63 n MET 153 Cb 0.34 -1.74 0.07 0.00 -0.71 0.00 0.00 33.22 31.18 1n63 n MET 153 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1n63 s GLU 154 N -2.95 2.61 0.35 0.03 2.02 -1.05 -4.75 118.70 114.96 1n63 s GLU 154 Ca 0.40 0.99 0.12 0.00 0.02 0.00 0.00 54.97 56.49 1n63 s GLU 154 Cb 0.34 -1.95 0.64 0.00 0.10 0.00 0.00 34.13 33.26 1n63 s GLU 154 CO 0.05 -1.34 1.78 -1.35 0.02 0.00 0.00 175.26 174.42 1n63 h PRO 155 N -0.90 0.03 -0.64 0.39 0.11 -1.91 -1.32 132.00 127.76 1n63 h PRO 155 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1n63 h PRO 155 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1n63 h PRO 155 CO 0.55 0.43 0.00 -0.40 -0.21 0.00 0.00 178.00 178.38 1n63 n ASP 156 N -4.05 4.71 -4.77 -2.05 5.75 -1.26 -4.77 116.55 110.12 1n63 n ASP 156 Ca -0.02 -2.58 -0.39 0.00 -0.01 0.00 0.00 54.79 51.79 1n63 n ASP 156 Cb 0.44 -0.60 -0.01 0.00 -1.03 0.00 0.00 41.12 39.92 1n63 n ASP 156 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n63 s ALA 157 N -2.14 3.29 0.54 2.12 0.00 -0.50 -4.94 121.76 120.14 1n63 s ALA 157 Ca 0.47 1.16 -0.21 0.00 0.00 0.00 0.00 51.96 53.37 1n63 s ALA 157 Cb 0.33 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1n63 s ALA 157 CO 0.19 -0.68 1.28 -2.30 0.00 0.00 0.00 175.76 174.24 1n63 n PRO 158 N 0.32 1.55 -2.70 0.00 -0.02 -1.26 -4.92 135.00 127.97 1n63 n PRO 158 Ca 0.03 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 1n63 n PRO 158 Cb 0.44 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 1n63 n PRO 158 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1n63 s LEU 159 N -3.00 3.74 -0.10 2.45 2.96 -1.26 -4.86 118.68 118.61 1n63 s LEU 159 Ca 0.72 -0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 54.44 1n63 s LEU 159 Cb -0.43 -2.96 -0.01 0.00 0.50 0.00 0.00 46.19 43.30 1n63 s LEU 159 CO 0.49 -1.40 -0.04 -0.07 -1.32 0.00 0.00 176.35 174.02 1n63 h LEU 160 N 11.58 0.00 -6.73 -0.68 4.07 -1.91 -3.41 115.31 118.23 1n63 h LEU 160 Ca -0.26 0.00 -0.76 0.00 0.08 0.00 0.00 57.88 56.94 1n63 h LEU 160 Cb 1.06 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 42.62 1n63 h LEU 160 CO 1.15 0.49 1.70 0.54 -1.08 0.00 0.00 178.44 181.24 1n63 n ARG 161 N -4.36 3.72 0.29 1.13 5.12 -1.26 -4.76 116.66 116.54 1n63 n ARG 161 Ca -0.02 -3.76 0.16 0.00 -1.93 0.00 0.00 57.85 52.31 1n63 n ARG 161 Cb 0.06 -2.87 0.93 0.00 -1.16 0.00 0.00 32.46 29.43 1n63 n ARG 161 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1n63 h GLU 162 N 5.92 0.00 0.00 5.56 5.08 -1.81 -0.91 114.58 128.41 1n63 h GLU 162 Ca 0.35 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.68 1n63 h GLU 162 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1n63 h GLU 162 CO 1.51 0.00 -0.12 0.38 -1.00 0.00 0.00 179.01 179.78 1n63 h ASP 163 N 0.00 0.00 0.00 1.42 2.03 -1.99 -3.38 116.42 114.50 1n63 h ASP 163 Ca 0.02 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1n63 h ASP 163 Cb 0.11 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.61 1n63 h ASP 163 CO -0.00 0.12 -0.23 2.30 -1.03 0.00 0.00 179.24 180.40 1n63 n ILE 164 N -3.27 0.00 -4.46 4.15 -5.35 -1.02 -5.07 119.36 104.34 1n63 n ILE 164 Ca 0.00 -0.10 -0.26 0.00 -0.27 0.00 0.00 62.75 62.13 1n63 n ILE 164 Cb 0.37 0.57 -0.13 0.00 -1.74 0.00 0.00 39.64 38.71 1n63 n ILE 164 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1n63 s LYS 165 N -0.65 1.32 0.34 6.28 -0.14 -0.38 -5.14 119.74 121.37 1n63 s LYS 165 Ca 0.00 -1.15 0.07 0.00 -1.36 0.00 0.00 55.97 53.53 1n63 s LYS 165 Cb 0.00 -1.60 -0.01 0.00 -1.68 0.00 0.00 37.83 34.54 1n63 s LYS 165 CO 0.00 0.39 0.41 -0.51 -0.76 0.00 0.00 175.35 174.88 1n63 s ASP 166 N -1.70 5.70 0.16 2.83 1.01 -1.26 -4.38 116.67 119.03 1n63 s ASP 166 Ca 0.09 -0.32 -0.34 0.00 0.71 0.00 0.00 52.55 52.69 1n63 s ASP 166 Cb -0.10 -1.10 -0.14 0.00 1.01 0.00 0.00 42.92 42.60 1n63 s ASP 166 CO 0.04 -0.43 1.58 1.17 0.21 0.00 0.00 175.17 177.74 1n63 n LYS 167 N -1.56 2.16 -3.26 8.23 4.81 -1.26 -4.47 118.16 122.81 1n63 n LYS 167 Ca -0.00 0.78 -0.04 0.00 -0.87 0.00 0.00 58.31 58.17 1n63 n LYS 167 Cb 0.59 -2.55 -0.05 0.00 0.02 0.00 0.00 35.03 33.04 1n63 n LYS 167 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1n63 s MET 168 N 0.90 0.45 0.00 1.64 1.75 -1.26 -4.93 119.30 117.85 1n63 s MET 168 Ca 0.79 0.48 0.24 0.00 -1.25 0.00 0.00 55.69 55.95 1n63 s MET 168 Cb -0.68 -0.10 0.36 0.00 2.84 0.00 0.00 34.83 37.26 1n63 s MET 168 CO 0.38 -0.85 1.31 0.25 -0.65 0.00 0.00 175.02 175.46 1n63 n THR 169 N 5.38 0.00 -2.77 10.11 -2.24 -1.26 -1.91 114.28 121.60 1n63 n THR 169 Ca -0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1n63 n THR 169 Cb 0.51 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 1n63 n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n63 n GLY 170 N 1.44 6.38 0.02 3.38 0.00 -1.26 -3.65 105.19 111.49 1n63 n GLY 170 Ca 0.08 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.39 1n63 n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 n ALA 171 N -3.00 2.02 -0.62 4.61 0.00 -1.26 -3.23 120.51 119.02 1n63 n ALA 171 Ca 0.00 -1.09 0.05 0.00 0.00 0.00 0.00 53.44 52.40 1n63 n ALA 171 Cb 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 19.45 19.49 1n63 n ALA 171 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n63 n HIS 172 N -0.53 0.00 -2.07 0.00 8.25 -1.26 -4.95 115.22 114.67 1n63 n HIS 172 Ca 0.01 -0.70 -0.18 0.00 -0.26 0.00 0.00 57.72 56.59 1n63 n HIS 172 Cb 0.27 -0.10 0.11 0.00 1.12 0.00 0.00 29.99 31.40 1n63 n HIS 172 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n63 n GLY 173 N -0.91 -0.33 0.03 -1.41 0.00 -1.26 -4.98 105.19 96.33 1n63 n GLY 173 Ca 0.08 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.37 1n63 n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 n ALA 174 N -3.25 2.56 -2.47 4.61 0.00 -1.26 -4.67 120.51 116.04 1n63 n ALA 174 Ca -0.13 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 52.95 1n63 n ALA 174 Cb 0.39 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 1n63 n ALA 174 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1n63 s ARG 175 N -3.04 1.65 1.07 0.00 0.52 -1.26 -5.15 118.95 112.74 1n63 s ARG 175 Ca 0.12 -1.79 -0.14 0.00 -0.52 0.00 0.00 55.73 53.40 1n63 s ARG 175 Cb 0.17 -1.56 0.23 0.00 0.52 0.00 0.00 34.95 34.30 1n63 s ARG 175 CO 0.59 0.21 1.08 0.15 0.02 0.00 0.00 175.30 177.35 1n63 s LYS 176 N -3.59 -0.17 0.48 3.54 1.02 -1.26 -4.81 119.74 114.95 1n63 s LYS 176 Ca 0.29 0.45 -0.22 0.00 0.02 0.00 0.00 55.97 56.52 1n63 s LYS 176 Cb -0.01 -1.67 -0.10 0.00 -0.52 0.00 0.00 37.83 35.53 1n63 s LYS 176 CO 0.14 -3.12 0.77 1.58 -0.92 0.00 0.00 175.35 173.80 1n63 n HIS 177 N -4.44 0.26 0.22 3.18 -0.00 -1.20 -4.77 115.22 108.48 1n63 n HIS 177 Ca 0.06 0.53 0.10 0.00 -0.00 0.00 0.00 57.72 58.41 1n63 n HIS 177 Cb 0.57 -2.09 0.67 0.00 -0.00 0.00 0.00 29.99 29.14 1n63 n HIS 177 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1n63 h HIS 178 N 0.90 0.00 -0.09 1.57 2.07 -1.60 0.08 115.15 118.07 1n63 h HIS 178 Ca -0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 1n63 h HIS 178 Cb 1.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.35 1n63 h HIS 178 CO 0.38 0.00 0.00 0.09 -3.07 0.00 0.00 177.93 175.33 1n63 n ASN 179 N -4.47 1.75 -4.66 3.10 3.02 -1.26 -4.77 115.26 107.97 1n63 n ASN 179 Ca -0.01 -1.64 -0.40 0.00 -0.03 0.00 0.00 54.58 52.50 1n63 n ASN 179 Cb 0.17 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.23 1n63 n ASN 179 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1n63 s HIS 180 N -1.89 3.37 -0.14 3.10 2.46 0.01 -1.17 115.29 121.03 1n63 s HIS 180 Ca 0.35 0.98 -0.13 0.00 0.47 0.00 0.00 55.06 56.73 1n63 s HIS 180 Cb 0.20 -2.85 -0.11 0.00 -0.13 0.00 0.00 32.58 29.69 1n63 s HIS 180 CO 0.30 -0.20 0.20 0.82 -2.47 0.00 0.00 174.74 173.39 1n63 h ILE 181 N 5.21 0.63 -3.23 0.89 2.04 -1.06 -3.45 117.51 118.55 1n63 h ILE 181 Ca -0.30 -1.55 -0.05 0.00 1.00 0.00 0.00 64.86 63.96 1n63 h ILE 181 Cb 1.14 1.27 -0.13 0.00 -0.74 0.00 0.00 36.82 38.36 1n63 h ILE 181 CO 0.79 0.21 -0.01 0.72 0.00 0.00 0.00 178.15 179.86 1n63 s PHE 182 N -2.00 -0.30 -0.11 1.37 -0.71 -1.22 -4.99 117.98 110.03 1n63 s PHE 182 Ca -0.13 0.06 0.01 0.00 -1.04 0.00 0.00 56.93 55.83 1n63 s PHE 182 Cb 0.01 0.32 0.02 0.00 -1.21 0.00 0.00 43.02 42.16 1n63 s PHE 182 CO 0.33 -0.72 -0.13 0.50 -1.34 0.00 0.00 175.22 173.86 1n63 s ARG 183 N -3.57 1.96 -0.05 1.99 3.52 -1.26 -1.67 118.95 119.86 1n63 s ARG 183 Ca 0.01 -0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.19 1n63 s ARG 183 Cb 0.01 -1.75 0.00 0.00 -1.56 0.00 0.00 34.95 31.65 1n63 s ARG 183 CO -0.11 -0.12 -0.14 -0.46 -0.81 0.00 0.00 175.30 173.66 1n63 s TRP 184 N 1.17 1.56 0.11 5.12 -0.00 -0.02 -4.98 118.94 121.91 1n63 s TRP 184 Ca -0.04 -0.51 0.05 0.00 -0.00 0.00 0.00 56.10 55.60 1n63 s TRP 184 Cb -0.14 -1.09 -0.04 0.00 -0.00 0.00 0.00 33.47 32.20 1n63 s TRP 184 CO -0.03 -0.22 -0.13 -1.21 -0.00 0.00 0.00 176.95 175.36 1n63 s GLU 185 N 0.34 0.97 -0.02 5.86 2.02 -1.26 -0.33 118.70 126.27 1n63 s GLU 185 Ca -0.09 -1.21 -0.29 0.00 0.02 0.00 0.00 54.97 53.39 1n63 s GLU 185 Cb -0.13 -0.78 0.08 0.00 0.10 0.00 0.00 34.13 33.39 1n63 s GLU 185 CO 0.03 0.14 0.70 -1.50 0.02 0.00 0.00 175.26 174.65 1n63 s ILE 186 N -2.25 0.00 0.00 -1.63 2.07 -0.22 -5.01 121.20 114.17 1n63 s ILE 186 Ca 0.08 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.32 1n63 s ILE 186 Cb -0.04 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.55 1n63 s ILE 186 CO 0.02 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 1n63 n GLY 187 N 0.62 0.47 3.38 1.50 0.00 -1.26 -1.07 105.19 108.82 1n63 n GLY 187 Ca -0.18 -2.10 -0.45 0.00 0.00 0.00 0.00 46.02 43.30 1n63 n GLY 187 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n63 s ASP 188 N -0.05 6.28 0.10 1.61 -1.08 -0.47 -4.91 116.67 118.15 1n63 s ASP 188 Ca 0.00 -1.59 -0.17 0.00 -0.52 0.00 0.00 52.55 50.27 1n63 s ASP 188 Cb 0.00 -2.31 -0.06 0.00 -1.46 0.00 0.00 42.92 39.09 1n63 s ASP 188 CO 0.00 -1.08 1.53 0.50 0.52 0.00 0.00 175.17 176.64 1n63 h LYS 189 N 9.05 0.53 -0.35 4.34 3.64 -1.91 -1.62 116.57 130.25 1n63 h LYS 189 Ca -0.21 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1n63 h LYS 189 Cb 1.08 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1n63 h LYS 189 CO 1.08 0.68 0.08 1.49 -2.27 0.00 0.00 179.45 180.50 1n63 h GLU 190 N 0.32 0.56 -0.53 1.90 4.81 -1.97 0.04 114.58 119.70 1n63 h GLU 190 Ca 0.08 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1n63 h GLU 190 Cb 0.45 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1n63 h GLU 190 CO 0.02 0.62 0.21 0.78 -0.73 0.00 0.00 179.01 179.90 1n63 h GLY 191 N 0.41 0.86 1.07 1.92 0.00 -1.97 -0.81 103.07 104.55 1n63 h GLY 191 Ca 0.11 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 1n63 h GLY 191 CO 0.00 0.45 -0.10 -0.84 0.00 0.00 0.00 176.54 176.04 1n63 h THR 192 N 0.73 1.27 -0.46 4.70 2.02 -1.03 -1.44 112.91 118.69 1n63 h THR 192 Ca 0.18 -1.25 -0.09 0.00 0.77 0.00 0.00 66.41 66.01 1n63 h THR 192 Cb 0.21 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1n63 h THR 192 CO -0.01 0.44 -0.09 0.44 0.37 0.00 0.00 175.52 176.66 1n63 h ASP 193 N 0.85 0.82 -0.76 4.18 3.32 -0.85 -1.38 116.42 122.60 1n63 h ASP 193 Ca 0.13 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 1n63 h ASP 193 Cb 0.67 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1n63 h ASP 193 CO 0.05 0.94 0.27 0.00 -1.72 0.00 0.00 179.24 178.77 1n63 h ALA 194 N 1.14 1.03 -0.04 3.45 0.00 -0.96 -0.49 119.26 123.40 1n63 h ALA 194 Ca 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1n63 h ALA 194 Cb 0.59 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1n63 h ALA 194 CO 0.04 0.66 0.02 1.15 0.00 0.00 0.00 179.25 181.12 1n63 h THR 195 N 1.12 1.13 0.00 0.00 2.02 -0.78 -2.88 112.91 113.52 1n63 h THR 195 Ca 0.25 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 1n63 h THR 195 Cb 0.27 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1n63 h THR 195 CO -0.01 0.10 -0.16 -0.26 0.37 0.00 0.00 175.52 175.56 1n63 h PHE 196 N -0.08 0.00 0.00 3.16 -1.00 -1.03 -0.28 116.94 117.71 1n63 h PHE 196 Ca 0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 1n63 h PHE 196 Cb 0.15 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.71 1n63 h PHE 196 CO -0.02 0.16 -0.05 0.00 -1.61 0.00 0.00 178.31 176.78 1n63 h ALA 197 N 1.84 1.05 0.00 2.45 0.00 -0.86 -3.30 119.26 120.44 1n63 h ALA 197 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1n63 h ALA 197 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1n63 h ALA 197 CO 0.02 0.07 0.00 1.17 0.00 0.00 0.00 179.25 180.51 1n63 n LYS 198 N -3.23 1.33 -1.87 0.00 4.81 -0.99 -5.06 118.16 113.15 1n63 n LYS 198 Ca -0.01 -0.24 -0.37 0.00 -0.87 0.00 0.00 58.31 56.83 1n63 n LYS 198 Cb 0.27 -0.69 0.05 0.00 0.02 0.00 0.00 35.03 34.67 1n63 n LYS 198 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1n63 s ALA 199 N -0.26 2.54 0.26 3.14 0.00 -0.15 -4.91 121.76 122.39 1n63 s ALA 199 Ca 0.00 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.13 1n63 s ALA 199 Cb 0.00 -3.51 0.34 0.00 0.00 0.00 0.00 23.12 19.95 1n63 s ALA 199 CO 0.00 -1.36 1.68 0.93 0.00 0.00 0.00 175.76 177.00 1n63 h GLU 200 N 0.90 0.50 -4.74 0.00 5.08 -1.90 -3.43 114.58 110.99 1n63 h GLU 200 Ca -0.51 -0.21 -0.46 0.00 -1.00 0.00 0.00 59.36 57.18 1n63 h GLU 200 Cb 1.31 -0.02 -0.31 0.00 0.50 0.00 0.00 28.75 30.24 1n63 h GLU 200 CO 0.55 0.75 -0.80 0.08 -1.00 0.00 0.00 179.01 178.59 1n63 s VAL 201 N -4.40 0.93 -0.10 3.13 1.01 -0.42 -4.93 120.40 115.63 1n63 s VAL 201 Ca -0.07 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1n63 s VAL 201 Cb 0.13 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.71 1n63 s VAL 201 CO 0.80 0.28 -0.10 -0.69 0.00 0.00 0.00 175.10 175.39 1n63 s VAL 202 N 0.17 1.15 -0.26 2.92 1.01 -1.26 -1.12 120.40 123.00 1n63 s VAL 202 Ca -0.03 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1n63 s VAL 202 Cb -0.09 -1.11 0.05 0.00 0.00 0.00 0.00 36.38 35.23 1n63 s VAL 202 CO 0.01 0.38 -0.09 -0.55 0.00 0.00 0.00 175.10 174.85 1n63 s SER 203 N 1.29 4.47 -0.04 3.32 0.15 -0.09 -4.99 113.70 117.80 1n63 s SER 203 Ca -0.02 -1.32 0.05 0.00 0.70 0.00 0.00 55.95 55.35 1n63 s SER 203 Cb -0.14 -1.58 -0.00 0.00 -1.71 0.00 0.00 66.02 62.58 1n63 s SER 203 CO -0.04 -0.19 -0.18 -0.75 1.20 0.00 0.00 173.24 173.28 1n63 s LYS 204 N 1.15 1.79 0.06 5.44 2.20 -1.26 -1.11 119.74 128.00 1n63 s LYS 204 Ca -0.07 -0.63 -0.17 0.00 -0.36 0.00 0.00 55.97 54.74 1n63 s LYS 204 Cb -0.19 -1.57 0.03 0.00 -1.51 0.00 0.00 37.83 34.58 1n63 s LYS 204 CO -0.05 0.27 0.38 -0.51 -0.36 0.00 0.00 175.35 175.08 1n63 s ASP 205 N -0.03 -0.23 -0.36 1.43 1.11 -0.64 -5.01 116.67 112.95 1n63 s ASP 205 Ca -0.03 -0.11 -0.05 0.00 0.18 0.00 0.00 52.55 52.55 1n63 s ASP 205 Cb -0.11 0.41 0.06 0.00 1.07 0.00 0.00 42.92 44.35 1n63 s ASP 205 CO 0.02 -0.68 0.12 -0.32 1.18 0.00 0.00 175.17 175.49 1n63 s MET 206 N -2.71 2.45 -0.27 8.23 1.75 -1.26 -0.30 119.30 127.18 1n63 s MET 206 Ca -0.04 -1.37 -0.11 0.00 -1.25 0.00 0.00 55.69 52.91 1n63 s MET 206 Cb -0.00 -3.47 -0.05 0.00 2.84 0.00 0.00 34.83 34.15 1n63 s MET 206 CO -0.04 -0.78 0.21 -0.06 -0.65 0.00 0.00 175.02 173.70 1n63 s PHE 207 N 1.32 3.24 -0.21 4.11 0.08 -0.29 -4.91 117.98 121.31 1n63 s PHE 207 Ca 0.00 0.18 -0.11 0.00 0.12 0.00 0.00 56.93 57.12 1n63 s PHE 207 Cb -0.21 -2.39 -0.05 0.00 -0.57 0.00 0.00 43.02 39.80 1n63 s PHE 207 CO 0.00 -0.14 0.19 0.99 -0.10 0.00 0.00 175.22 176.16 1n63 s THR 208 N 1.71 5.36 -0.54 0.64 2.01 -1.26 -0.69 115.64 122.86 1n63 s THR 208 Ca 0.08 0.28 -0.16 0.00 0.31 0.00 0.00 61.69 62.20 1n63 s THR 208 Cb -0.16 -3.53 0.12 0.00 0.01 0.00 0.00 72.50 68.95 1n63 s THR 208 CO 0.10 0.38 0.50 -0.47 -0.69 0.00 0.00 174.62 174.44 1n63 s TYR 209 N 0.74 3.23 0.70 4.92 6.14 0.25 -4.48 117.35 128.85 1n63 s TYR 209 Ca 0.10 -1.23 -0.14 0.00 0.64 0.00 0.00 57.07 56.44 1n63 s TYR 209 Cb -0.13 -3.75 0.02 0.00 0.42 0.00 0.00 41.96 38.53 1n63 s TYR 209 CO 0.02 -1.02 1.13 -3.38 0.64 0.00 0.00 175.55 172.94 1n63 s HIS 210 N 1.68 2.45 0.11 4.97 -3.43 -1.26 -0.89 115.29 118.92 1n63 s HIS 210 Ca 0.04 1.58 -0.31 0.00 -0.80 0.00 0.00 55.06 55.56 1n63 s HIS 210 Cb -0.29 -3.22 -0.09 0.00 -1.43 0.00 0.00 32.58 27.55 1n63 s HIS 210 CO 0.04 -1.94 1.61 0.50 -2.00 0.00 0.00 174.74 172.94 1n63 s ARG 211 N -4.21 4.21 0.00 -0.38 3.52 -1.26 -3.77 118.95 117.05 1n63 s ARG 211 Ca 0.67 2.33 0.00 0.00 -0.13 0.00 0.00 55.73 58.61 1n63 s ARG 211 Cb -0.22 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1n63 s ARG 211 CO 0.45 -0.67 0.00 1.33 -0.81 0.00 0.00 175.30 175.60 1n63 n VAL 212 N 4.39 0.00 -3.73 7.11 0.24 -0.48 -1.64 118.33 124.22 1n63 n VAL 212 Ca 0.15 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.32 1n63 n VAL 212 Cb 0.40 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.67 1n63 n VAL 212 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1n63 s HIS 213 N -1.71 -0.45 0.37 6.34 2.46 -1.26 -0.89 115.29 120.14 1n63 s HIS 213 Ca 0.00 1.11 0.26 0.00 0.47 0.00 0.00 55.06 56.89 1n63 s HIS 213 Cb 0.00 0.16 1.31 0.00 -0.13 0.00 0.00 32.58 33.92 1n63 s HIS 213 CO 0.00 -0.22 2.02 -1.00 -2.47 0.00 0.00 174.74 173.06 1n63 h PRO 214 N 5.47 0.00 -6.99 2.88 0.13 -1.87 -3.48 132.00 128.14 1n63 h PRO 214 Ca -0.27 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.34 1n63 h PRO 214 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1n63 h PRO 214 CO 0.25 0.15 -0.90 0.45 -0.23 0.00 0.00 178.00 177.72 1n63 n SER 215 N -3.64 -3.62 -4.73 1.44 2.88 -1.26 -4.90 113.62 99.78 1n63 n SER 215 Ca -0.02 -1.12 -0.36 0.00 -1.33 0.00 0.00 58.87 56.04 1n63 n SER 215 Cb 0.28 -1.38 0.07 0.00 -0.75 0.00 0.00 64.21 62.43 1n63 n SER 215 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1n63 s PRO 216 N -6.96 2.50 0.37 -1.46 0.04 -1.26 -4.90 135.00 123.32 1n63 s PRO 216 Ca 0.40 1.91 0.13 0.00 0.04 0.00 0.00 61.00 63.47 1n63 s PRO 216 Cb -0.22 -1.86 0.70 0.00 0.04 0.00 0.00 34.50 33.16 1n63 s PRO 216 CO 0.85 -1.59 1.81 1.25 0.04 0.00 0.00 177.00 179.35 1n63 h LEU 217 N 0.34 0.00 -9.19 -3.56 5.85 -1.87 -3.37 115.31 103.51 1n63 h LEU 217 Ca -0.50 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 57.63 1n63 h LEU 217 Cb 1.31 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.24 1n63 h LEU 217 CO 0.52 0.39 -0.19 -0.70 -0.34 0.00 0.00 178.44 178.12 1n63 s GLU 218 N -4.12 4.21 0.96 1.25 2.12 -0.98 -5.09 118.70 117.05 1n63 s GLU 218 Ca -0.03 0.25 -0.16 0.00 0.36 0.00 0.00 54.97 55.39 1n63 s GLU 218 Cb 0.14 -3.51 0.23 0.00 0.26 0.00 0.00 34.13 31.26 1n63 s GLU 218 CO 0.73 0.02 0.98 0.25 -0.54 0.00 0.00 175.26 176.70 1n63 n THR 219 N 4.15 0.00 -2.80 -1.70 -2.24 -1.26 -4.87 114.28 105.55 1n63 n THR 219 Ca -0.08 -0.54 -0.37 0.00 -2.27 0.00 0.00 64.05 60.79 1n63 n THR 219 Cb 0.51 -1.33 -0.06 0.00 -2.10 0.00 0.00 70.33 67.35 1n63 n THR 219 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n63 s GLN 221 N -2.06 0.50 0.25 0.00 -2.07 -1.26 -2.46 119.66 112.56 1n63 s GLN 221 Ca 0.50 -0.14 -0.18 0.00 -1.82 0.00 0.00 55.36 53.72 1n63 s GLN 221 Cb -0.18 0.23 0.02 0.00 -1.09 0.00 0.00 33.01 31.98 1n63 s GLN 221 CO 0.23 -0.21 0.60 0.00 -1.32 0.00 0.00 175.29 174.60 1n63 s VAL 223 N -3.94 0.66 -0.09 0.00 1.01 0.12 -0.89 120.40 117.27 1n63 s VAL 223 Ca 0.14 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 1n63 s VAL 223 Cb -0.03 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 1n63 s VAL 223 CO 0.05 -0.05 0.30 0.00 0.00 0.00 0.00 175.10 175.40 1n63 s ALA 224 N 1.81 3.69 -0.25 5.51 0.00 -0.03 -1.10 121.76 131.38 1n63 s ALA 224 Ca 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 1n63 s ALA 224 Cb -0.16 -2.30 0.08 0.00 0.00 0.00 0.00 23.12 20.74 1n63 s ALA 224 CO -0.07 0.34 0.09 0.45 0.00 0.00 0.00 175.76 176.58 1n63 s SER 225 N -0.41 3.33 -0.28 0.00 0.15 0.92 -0.35 113.70 117.06 1n63 s SER 225 Ca 0.19 -1.17 -0.23 0.00 0.70 0.00 0.00 55.95 55.44 1n63 s SER 225 Cb -0.14 -0.52 -0.00 0.00 -1.71 0.00 0.00 66.02 63.65 1n63 s SER 225 CO 0.07 -0.39 0.77 -0.32 1.20 0.00 0.00 173.24 174.58 1n63 s MET 226 N 1.93 4.03 -0.65 5.44 1.75 -1.26 -1.11 119.30 129.44 1n63 s MET 226 Ca 0.06 0.66 -0.21 0.00 -1.25 0.00 0.00 55.69 54.94 1n63 s MET 226 Cb -0.17 -3.70 0.08 0.00 2.84 0.00 0.00 34.83 33.89 1n63 s MET 226 CO -0.23 -0.60 0.89 0.34 -0.65 0.00 0.00 175.02 174.77 1n63 s ASP 227 N 1.53 6.19 0.40 1.11 -1.08 0.53 -4.45 116.67 120.91 1n63 s ASP 227 Ca 0.32 -1.17 0.20 0.00 -0.52 0.00 0.00 52.55 51.37 1n63 s ASP 227 Cb -0.15 -2.38 0.81 0.00 -1.46 0.00 0.00 42.92 39.75 1n63 s ASP 227 CO 0.11 -1.33 1.80 0.11 0.52 0.00 0.00 175.17 176.38 1n63 h LYS 228 N 9.42 0.00 -0.62 4.34 1.57 -1.85 0.19 116.57 129.62 1n63 h LYS 228 Ca -0.27 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.42 1n63 h LYS 228 Cb 1.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1n63 h LYS 228 CO 1.15 0.33 0.05 0.82 -0.57 0.00 0.00 179.45 181.23 1n63 h ILE 229 N 0.00 1.26 0.00 1.86 2.04 -1.96 -3.26 117.51 117.45 1n63 h ILE 229 Ca -0.00 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.78 1n63 h ILE 229 Cb 0.78 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1n63 h ILE 229 CO 0.04 0.40 -1.42 0.29 0.00 0.00 0.00 178.15 177.46 1n63 n LYS 230 N -4.20 0.50 -3.05 2.37 5.02 -1.07 -4.96 118.16 112.77 1n63 n LYS 230 Ca 0.04 -0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.12 1n63 n LYS 230 Cb 0.32 -1.61 0.04 0.00 -0.02 0.00 0.00 35.03 33.75 1n63 n LYS 230 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n63 n GLY 231 N 1.29 -0.05 3.13 0.72 0.00 0.63 -5.03 105.19 105.88 1n63 n GLY 231 Ca -0.01 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1n63 n GLY 231 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n63 s GLU 232 N -5.66 1.69 -0.19 1.61 2.02 -1.01 -4.92 118.70 112.24 1n63 s GLU 232 Ca 0.32 -0.59 -0.08 0.00 0.02 0.00 0.00 54.97 54.64 1n63 s GLU 232 Cb -0.14 -1.49 -0.04 0.00 0.10 0.00 0.00 34.13 32.56 1n63 s GLU 232 CO 0.39 0.24 0.09 -1.17 0.02 0.00 0.00 175.26 174.84 1n63 s LEU 233 N 0.02 3.98 -0.13 1.80 2.96 -0.03 -0.34 118.68 126.93 1n63 s LEU 233 Ca -0.03 0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1n63 s LEU 233 Cb -0.11 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 1n63 s LEU 233 CO 0.02 0.18 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.26 1n63 s THR 234 N 0.34 3.54 -0.27 3.68 2.01 -0.26 -0.30 115.64 124.37 1n63 s THR 234 Ca 0.05 -0.50 -0.02 0.00 0.31 0.00 0.00 61.69 61.54 1n63 s THR 234 Cb -0.12 -2.51 0.09 0.00 0.01 0.00 0.00 72.50 69.97 1n63 s THR 234 CO -0.01 0.53 0.08 -0.22 -0.69 0.00 0.00 174.62 174.31 1n63 s LEU 235 N 0.12 1.68 0.26 4.42 2.96 -0.24 -0.06 118.68 127.83 1n63 s LEU 235 Ca -0.03 -1.35 -0.29 0.00 -0.22 0.00 0.00 54.13 52.23 1n63 s LEU 235 Cb -0.14 -0.71 -0.09 0.00 0.50 0.00 0.00 46.19 45.74 1n63 s LEU 235 CO 0.04 -0.39 0.96 0.26 -1.32 0.00 0.00 176.35 175.90 1n63 s TRP 236 N 1.76 3.89 -0.02 5.38 0.51 -0.26 -0.54 118.94 129.66 1n63 s TRP 236 Ca 0.06 1.87 -0.30 0.00 -2.12 0.00 0.00 56.10 55.62 1n63 s TRP 236 Cb -0.17 -3.01 0.11 0.00 -0.81 0.00 0.00 33.47 29.59 1n63 s TRP 236 CO -0.22 0.29 1.20 0.20 -0.51 0.00 0.00 176.95 177.91 1n63 s GLY 237 N -1.20 -0.37 -1.32 0.98 0.00 -0.52 -0.71 107.32 104.19 1n63 s GLY 237 Ca 0.43 0.76 -0.16 0.00 0.00 0.00 0.00 44.72 45.75 1n63 s GLY 237 CO 0.32 0.18 1.82 -1.30 0.00 0.00 0.00 173.10 174.12 1n63 n THR 238 N -0.41 3.91 -4.08 0.90 -2.24 -0.76 -4.27 114.28 107.33 1n63 n THR 238 Ca -0.07 -3.97 -0.34 0.00 -2.27 0.00 0.00 64.05 57.40 1n63 n THR 238 Cb 0.62 -2.43 -0.15 0.00 -2.10 0.00 0.00 70.33 66.27 1n63 n THR 238 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1n63 s PHE 239 N 3.26 2.87 -0.14 4.78 0.08 -1.26 -4.76 117.98 122.81 1n63 s PHE 239 Ca 0.49 -1.19 0.28 0.00 0.12 0.00 0.00 56.93 56.64 1n63 s PHE 239 Cb 0.06 -2.01 0.84 0.00 -0.57 0.00 0.00 43.02 41.34 1n63 s PHE 239 CO 0.02 -0.62 1.79 1.96 -0.10 0.00 0.00 175.22 178.27 1n63 h GLN 240 N 7.91 0.00 -2.31 0.44 4.20 -1.30 -3.36 115.11 120.69 1n63 h GLN 240 Ca -0.42 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.71 1n63 h GLN 240 Cb 1.16 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.55 1n63 h GLN 240 CO 0.61 0.03 -0.93 0.00 -0.67 0.00 0.00 178.83 177.87 1n63 n ALA 241 N -2.11 2.91 -0.06 3.87 0.00 -1.26 -1.21 120.51 122.65 1n63 n ALA 241 Ca 0.02 -3.56 -0.04 0.00 0.00 0.00 0.00 53.44 49.86 1n63 n ALA 241 Cb 0.43 -0.82 0.19 0.00 0.00 0.00 0.00 19.45 19.24 1n63 n ALA 241 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1n63 h PRO 242 N 4.89 0.67 -0.50 0.00 0.13 -1.91 -1.57 132.00 133.71 1n63 h PRO 242 Ca 0.18 -0.20 -0.11 0.00 -0.87 0.00 0.00 66.00 65.00 1n63 h PRO 242 Cb 0.85 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 1n63 h PRO 242 CO 0.49 0.75 -0.12 0.45 -0.23 0.00 0.00 178.00 179.34 1n63 h HIS 243 N 0.62 1.09 -0.35 1.56 3.86 -1.92 -0.43 115.15 119.58 1n63 h HIS 243 Ca 0.11 -0.24 0.01 0.00 -1.16 0.00 0.00 60.37 59.10 1n63 h HIS 243 Cb 0.51 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1n63 h HIS 243 CO 0.02 1.04 0.22 0.28 0.86 0.00 0.00 177.93 180.35 1n63 h VAL 244 N 0.83 1.06 -0.71 2.45 2.07 -1.69 -1.27 116.25 119.00 1n63 h VAL 244 Ca 0.13 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1n63 h VAL 244 Cb 0.69 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1n63 h VAL 244 CO 0.05 0.08 0.44 0.40 0.02 0.00 0.00 177.57 178.56 1n63 h ILE 245 N 0.44 1.08 -0.39 4.57 1.08 -0.94 -0.77 117.51 122.58 1n63 h ILE 245 Ca 0.14 -0.29 0.07 0.00 -0.39 0.00 0.00 64.86 64.38 1n63 h ILE 245 Cb -0.02 0.16 -0.06 0.00 -3.07 0.00 0.00 36.82 33.83 1n63 h ILE 245 CO -0.05 0.16 0.03 -0.09 -0.69 0.00 0.00 178.15 177.50 1n63 h ARG 246 N 0.85 0.14 -0.54 2.37 2.43 -0.54 0.03 114.38 119.12 1n63 h ARG 246 Ca 0.29 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.38 1n63 h ARG 246 Cb 0.04 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1n63 h ARG 246 CO -0.12 0.09 0.08 1.15 -1.51 0.00 0.00 179.97 179.66 1n63 h THR 247 N 0.14 1.24 -0.22 0.20 2.02 -0.71 -0.43 112.91 115.16 1n63 h THR 247 Ca 0.19 -0.93 -0.11 0.00 0.77 0.00 0.00 66.41 66.34 1n63 h THR 247 Cb 0.26 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1n63 h THR 247 CO -0.30 0.34 -0.28 0.58 0.37 0.00 0.00 175.52 176.23 1n63 h VAL 248 N 0.81 1.33 -0.38 3.16 2.07 -0.81 -0.90 116.25 121.54 1n63 h VAL 248 Ca 0.17 -1.48 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 1n63 h VAL 248 Cb 0.38 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1n63 h VAL 248 CO 0.01 0.46 0.02 0.58 0.02 0.00 0.00 177.57 178.66 1n63 h VAL 249 N 0.26 1.20 0.30 2.57 2.07 -0.72 -1.27 116.25 120.66 1n63 h VAL 249 Ca 0.03 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1n63 h VAL 249 Cb 0.86 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1n63 h VAL 249 CO 0.07 0.28 -0.14 -1.28 0.02 0.00 0.00 177.57 176.51 1n63 h SER 250 N 0.56 -0.34 -0.36 0.57 0.87 -0.77 -0.67 113.55 113.42 1n63 h SER 250 Ca 0.12 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 1n63 h SER 250 Cb 0.32 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1n63 h SER 250 CO 0.01 -0.17 0.14 -0.07 -0.53 0.00 0.00 176.83 176.21 1n63 h LEU 251 N -0.49 0.55 0.00 2.23 3.38 -0.59 -0.69 115.31 119.70 1n63 h LEU 251 Ca -0.04 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 1n63 h LEU 251 Cb 0.37 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1n63 h LEU 251 CO 0.07 0.53 -1.48 2.30 0.09 0.00 0.00 178.44 179.94 1n63 n ILE 252 N -4.35 1.26 -0.02 1.22 -5.35 -0.53 -4.22 119.36 107.37 1n63 n ILE 252 Ca 0.03 -0.71 0.04 0.00 -0.27 0.00 0.00 62.75 61.84 1n63 n ILE 252 Cb 0.17 -0.79 -0.14 0.00 -1.74 0.00 0.00 39.64 37.14 1n63 n ILE 252 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1n63 n SER 253 N -2.91 0.18 0.00 7.28 3.41 -0.27 -4.92 113.62 116.40 1n63 n SER 253 Ca -0.11 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1n63 n SER 253 Cb 0.88 1.39 0.00 0.00 -0.26 0.00 0.00 64.21 66.22 1n63 n SER 253 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n63 n GLY 254 N 1.39 0.88 3.77 5.00 0.00 -0.27 -5.03 105.19 110.93 1n63 n GLY 254 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1n63 n GLY 254 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n63 s LEU 255 N 0.00 4.48 0.51 0.99 1.43 -1.25 -5.02 118.68 119.82 1n63 s LEU 255 Ca 0.00 1.91 -0.18 0.00 -1.03 0.00 0.00 54.13 54.82 1n63 s LEU 255 Cb 0.00 -3.83 -0.07 0.00 0.03 0.00 0.00 46.19 42.32 1n63 s LEU 255 CO 0.00 0.02 1.02 -2.16 0.23 0.00 0.00 176.35 175.46 1n63 s PRO 256 N -1.66 3.76 0.37 1.29 0.04 -1.26 -4.37 135.00 133.17 1n63 s PRO 256 Ca 0.46 1.20 0.07 0.00 0.04 0.00 0.00 61.00 62.78 1n63 s PRO 256 Cb -0.22 -2.10 0.79 0.00 0.04 0.00 0.00 34.50 33.01 1n63 s PRO 256 CO 0.28 -0.45 1.95 0.93 0.04 0.00 0.00 177.00 179.76 1n63 h GLU 257 N 1.18 0.68 0.00 4.56 5.08 -1.92 -0.48 114.58 123.68 1n63 h GLU 257 Ca -0.48 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1n63 h GLU 257 Cb 1.21 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1n63 h GLU 257 CO 0.59 0.45 0.00 -2.39 -1.00 0.00 0.00 179.01 176.66 1n63 n HIS 258 N -4.48 0.00 -0.61 4.33 1.44 -1.26 -2.27 115.22 112.36 1n63 n HIS 258 Ca 0.11 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.89 1n63 n HIS 258 Cb 0.27 -0.39 0.17 0.00 0.12 0.00 0.00 29.99 30.16 1n63 n HIS 258 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1n63 n LYS 259 N -1.39 2.67 -4.06 -1.40 5.02 -0.20 -4.89 118.16 113.91 1n63 n LYS 259 Ca 0.05 -2.37 -0.32 0.00 -2.02 0.00 0.00 58.31 53.65 1n63 n LYS 259 Cb 0.14 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.49 1n63 n LYS 259 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1n63 s ILE 260 N -2.01 1.94 -0.58 -0.18 1.01 -0.96 -0.85 121.20 119.56 1n63 s ILE 260 Ca 0.29 -1.19 -0.07 0.00 0.00 0.00 0.00 60.65 59.69 1n63 s ILE 260 Cb 0.22 -1.94 0.15 0.00 0.01 0.00 0.00 42.46 40.90 1n63 s ILE 260 CO 0.09 0.22 0.43 -1.00 0.00 0.00 0.00 174.94 174.69 1n63 s HIS 261 N 1.27 3.50 -0.04 3.97 3.76 0.59 -4.85 115.29 123.48 1n63 s HIS 261 Ca -0.02 -2.30 -0.20 0.00 -0.15 0.00 0.00 55.06 52.39 1n63 s HIS 261 Cb -0.16 -3.40 -0.05 0.00 1.11 0.00 0.00 32.58 30.08 1n63 s HIS 261 CO -0.09 -0.93 0.59 0.08 -0.85 0.00 0.00 174.74 173.54 1n63 s VAL 262 N 0.58 5.01 -0.20 -0.90 1.01 -1.26 -1.08 120.40 123.56 1n63 s VAL 262 Ca 0.12 1.21 -0.01 0.00 0.00 0.00 0.00 61.98 63.31 1n63 s VAL 262 Cb -0.21 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.30 1n63 s VAL 262 CO -0.04 0.36 -0.03 -0.63 0.00 0.00 0.00 175.10 174.77 1n63 s ILE 263 N 0.20 1.11 -0.41 2.22 1.01 0.30 -1.36 121.20 124.27 1n63 s ILE 263 Ca 0.31 -0.82 -0.16 0.00 0.00 0.00 0.00 60.65 59.97 1n63 s ILE 263 Cb -0.17 -1.41 0.02 0.00 0.01 0.00 0.00 42.46 40.91 1n63 s ILE 263 CO 0.16 -0.04 0.37 0.00 0.00 0.00 0.00 174.94 175.43 1n63 s ALA 264 N 1.60 3.45 0.18 9.38 0.00 -0.06 -1.44 121.76 134.87 1n63 s ALA 264 Ca -0.02 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1n63 s ALA 264 Cb -0.17 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1n63 s ALA 264 CO -0.07 -1.52 0.00 -0.35 0.00 0.00 0.00 175.76 173.82 1n63 n PRO 265 N 5.40 3.57 -2.42 0.00 -0.04 -1.26 -4.54 135.00 135.71 1n63 n PRO 265 Ca -0.09 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.96 1n63 n PRO 265 Cb 0.47 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.89 1n63 n PRO 265 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n63 s ASP 266 N -1.00 7.18 -0.13 3.54 1.01 -0.15 -5.01 116.67 122.11 1n63 s ASP 266 Ca 0.00 2.29 0.03 0.00 0.71 0.00 0.00 52.55 55.57 1n63 s ASP 266 Cb 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1n63 s ASP 266 CO 0.00 -0.24 -0.21 -0.63 0.21 0.00 0.00 175.17 174.30 1n63 s ILE 267 N -0.82 2.21 -1.12 0.77 1.01 -1.26 -4.14 121.20 117.86 1n63 s ILE 267 Ca 0.47 -0.94 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 1n63 s ILE 267 Cb -0.33 -1.88 -0.08 0.00 0.01 0.00 0.00 42.46 40.18 1n63 s ILE 267 CO 0.41 0.55 3.00 0.61 0.00 0.00 0.00 174.94 179.50 1n63 n GLY 268 N 3.83 4.15 0.00 6.18 0.00 -1.26 -4.42 105.19 113.67 1n63 n GLY 268 Ca -0.19 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1n63 n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n63 n GLY 269 N 2.79 -1.39 1.36 -0.02 0.00 -1.20 -2.31 105.19 104.42 1n63 n GLY 269 Ca 0.66 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1n63 n GLY 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n63 n GLY 270 N -0.42 -0.11 2.41 -0.02 0.00 -1.26 -4.75 105.19 101.05 1n63 n GLY 270 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1n63 n GLY 270 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n63 n PHE 271 N -3.36 -1.00 -0.31 1.61 3.72 -1.26 -0.93 117.46 115.94 1n63 n PHE 271 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1n63 n PHE 271 Cb 0.07 -3.71 0.00 0.00 -0.94 0.00 0.00 39.48 34.90 1n63 n PHE 271 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n63 n GLY 272 N -0.92 1.44 0.12 1.37 0.00 -1.26 0.02 105.19 105.96 1n63 n GLY 272 Ca -0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.92 1n63 n GLY 272 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1n63 h ASN 273 N 0.00 0.00 -0.05 1.61 -1.24 -1.38 -3.26 115.58 111.25 1n63 h ASN 273 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1n63 h ASN 273 Cb 0.00 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 1n63 h ASN 273 CO 0.00 0.00 -0.02 0.29 -1.29 0.00 0.00 177.43 176.41 1n63 n LYS 274 N -2.30 1.62 0.14 6.67 5.02 -1.26 -4.61 118.16 123.44 1n63 n LYS 274 Ca 0.04 -2.67 -0.09 0.00 -2.02 0.00 0.00 58.31 53.57 1n63 n LYS 274 Cb 0.37 -1.58 -0.05 0.00 -0.02 0.00 0.00 35.03 33.75 1n63 n LYS 274 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1n63 h VAL 275 N 0.40 0.25 -3.93 -0.18 2.07 -1.87 -0.21 116.25 112.79 1n63 h VAL 275 Ca 0.00 -0.76 -0.46 0.00 0.82 0.00 0.00 66.70 66.30 1n63 h VAL 275 Cb 1.10 0.42 0.13 0.00 -1.52 0.00 0.00 31.29 31.41 1n63 h VAL 275 CO 0.05 0.06 0.36 -0.83 0.02 0.00 0.00 177.57 177.23 1n63 s GLY 276 N -3.04 1.72 0.25 2.17 0.00 -1.26 -4.60 107.32 102.55 1n63 s GLY 276 Ca -0.09 -1.08 -0.10 0.00 0.00 0.00 0.00 44.72 43.45 1n63 s GLY 276 CO 0.30 -0.46 0.58 0.00 0.00 0.00 0.00 173.10 173.52 1n63 s ALA 277 N -3.63 3.53 0.26 3.20 0.00 -1.26 -5.02 121.76 118.84 1n63 s ALA 277 Ca 0.68 -0.23 0.09 0.00 0.00 0.00 0.00 51.96 52.49 1n63 s ALA 277 Cb -0.07 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 1n63 s ALA 277 CO 0.50 0.47 -0.13 0.71 0.00 0.00 0.00 175.76 177.31 1n63 s TYR 278 N -1.85 1.98 0.31 0.00 2.02 -1.26 -5.04 117.35 113.50 1n63 s TYR 278 Ca 0.48 -0.55 0.04 0.00 -0.37 0.00 0.00 57.07 56.67 1n63 s TYR 278 Cb -0.11 -0.99 0.64 0.00 -0.40 0.00 0.00 41.96 41.10 1n63 s TYR 278 CO 0.21 0.44 1.85 1.03 -1.57 0.00 0.00 175.55 177.51 1n63 h SER 279 N 2.36 0.84 -0.77 2.29 0.87 -1.90 -1.55 113.55 115.69 1n63 h SER 279 Ca -0.39 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.30 1n63 h SER 279 Cb 1.24 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 63.02 1n63 h SER 279 CO 0.64 0.45 0.50 1.23 -0.53 0.00 0.00 176.83 179.12 1n63 h GLY 280 N 0.90 1.00 0.90 5.77 0.00 -1.96 0.57 103.07 110.25 1n63 h GLY 280 Ca 0.48 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.41 1n63 h GLY 280 CO -0.24 0.18 -0.24 -0.97 0.00 0.00 0.00 176.54 175.26 1n63 h TYR 281 N 0.71 0.71 -0.56 5.60 0.05 -1.69 -1.17 116.97 120.62 1n63 h TYR 281 Ca 0.35 -0.21 -0.08 0.00 0.05 0.00 0.00 58.73 58.84 1n63 h TYR 281 Cb 0.43 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 1n63 h TYR 281 CO -0.00 0.92 0.03 0.28 -1.05 0.00 0.00 178.16 178.34 1n63 h VAL 282 N 0.29 1.26 -0.35 -2.88 2.07 -1.28 -1.96 116.25 113.41 1n63 h VAL 282 Ca 0.04 -1.07 -0.16 0.00 0.82 0.00 0.00 66.70 66.32 1n63 h VAL 282 Cb 0.80 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1n63 h VAL 282 CO 0.06 0.39 -0.42 0.00 0.02 0.00 0.00 177.57 177.62 1n63 h ALA 284 N 0.74 0.55 -0.07 0.00 0.00 -1.11 0.30 119.26 119.66 1n63 h ALA 284 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n63 h ALA 284 Cb 1.02 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1n63 h ALA 284 CO 0.10 -0.00 0.04 0.28 0.00 0.00 0.00 179.25 179.67 1n63 h VAL 285 N 0.58 1.05 -0.47 0.00 2.07 -1.09 -0.58 116.25 117.81 1n63 h VAL 285 Ca 0.16 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1n63 h VAL 285 Cb -0.06 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1n63 h VAL 285 CO -0.04 0.04 0.24 0.58 0.02 0.00 0.00 177.57 178.42 1n63 h VAL 286 N 0.05 0.97 -0.83 2.57 2.07 -0.89 -0.46 116.25 119.73 1n63 h VAL 286 Ca 0.02 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1n63 h VAL 286 Cb 0.04 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1n63 h VAL 286 CO -0.00 0.09 0.48 0.00 0.02 0.00 0.00 177.57 178.15 1n63 h ALA 287 N 1.25 1.06 -0.54 1.67 0.00 -0.81 -0.55 119.26 121.34 1n63 h ALA 287 Ca 0.20 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1n63 h ALA 287 Cb 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1n63 h ALA 287 CO -0.14 0.55 -0.03 1.03 0.00 0.00 0.00 179.25 180.67 1n63 h SER 288 N 1.15 0.95 -0.79 0.00 0.87 -0.65 -0.17 113.55 114.91 1n63 h SER 288 Ca 0.30 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1n63 h SER 288 Cb -0.00 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.66 1n63 h SER 288 CO -0.05 1.04 0.45 0.40 -0.53 0.00 0.00 176.83 178.15 1n63 h ILE 289 N 0.84 1.23 -0.30 2.23 2.04 -0.59 0.31 117.51 123.27 1n63 h ILE 289 Ca 0.15 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1n63 h ILE 289 Cb 0.57 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1n63 h ILE 289 CO 0.03 0.25 0.03 0.58 0.00 0.00 0.00 178.15 179.04 1n63 h VAL 290 N 1.08 1.24 0.00 1.67 2.07 -0.94 -3.32 116.25 118.06 1n63 h VAL 290 Ca 0.28 -0.86 -0.13 0.00 0.82 0.00 0.00 66.70 66.81 1n63 h VAL 290 Cb -0.01 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1n63 h VAL 290 CO -0.05 0.28 -1.26 -0.07 0.02 0.00 0.00 177.57 176.49 1n63 h LEU 291 N 0.32 0.00 0.12 2.57 3.38 -0.87 -3.48 115.31 117.34 1n63 h LEU 291 Ca 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1n63 h LEU 291 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1n63 h LEU 291 CO 0.01 0.45 -0.05 0.61 0.09 0.00 0.00 178.44 179.55 1n63 n GLY 292 N 1.34 0.58 3.30 0.83 0.00 0.11 -5.01 105.19 106.33 1n63 n GLY 292 Ca -0.07 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 1n63 n GLY 292 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n63 s VAL 293 N -2.01 0.79 0.56 1.61 -7.23 -1.24 -4.74 120.40 108.14 1n63 s VAL 293 Ca 0.00 -2.01 -0.18 0.00 -1.81 0.00 0.00 61.98 57.99 1n63 s VAL 293 Cb 0.00 -2.34 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 1n63 s VAL 293 CO 0.00 -0.29 1.08 -2.84 -0.31 0.00 0.00 175.10 172.73 1n63 s PRO 294 N -3.92 3.38 -0.06 4.82 0.02 -1.26 -4.42 135.00 133.55 1n63 s PRO 294 Ca 0.29 1.37 -0.01 0.00 0.02 0.00 0.00 61.00 62.67 1n63 s PRO 294 Cb 0.06 -2.03 0.03 0.00 0.02 0.00 0.00 34.50 32.58 1n63 s PRO 294 CO 0.08 -0.78 -0.01 0.08 -0.33 0.00 0.00 177.00 176.05 1n63 s VAL 295 N -2.15 0.40 -0.11 3.83 1.01 0.52 -0.44 120.40 123.46 1n63 s VAL 295 Ca 0.67 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.61 1n63 s VAL 295 Cb -0.18 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 1n63 s VAL 295 CO 0.31 0.25 0.24 -0.75 0.00 0.00 0.00 175.10 175.14 1n63 s LYS 296 N 1.69 3.82 -0.08 2.72 2.20 -0.15 -0.85 119.74 129.10 1n63 s LYS 296 Ca 0.01 0.04 0.02 0.00 -0.36 0.00 0.00 55.97 55.68 1n63 s LYS 296 Cb -0.13 -3.28 0.02 0.00 -1.51 0.00 0.00 37.83 32.93 1n63 s LYS 296 CO -0.04 0.58 -0.11 -0.46 -0.36 0.00 0.00 175.35 174.96 1n63 s TRP 297 N -0.55 1.48 -0.10 4.03 -0.00 -0.07 -0.49 118.94 123.24 1n63 s TRP 297 Ca 0.17 -0.61 -0.01 0.00 -0.00 0.00 0.00 56.10 55.65 1n63 s TRP 297 Cb -0.13 -1.12 0.03 0.00 -0.00 0.00 0.00 33.47 32.24 1n63 s TRP 297 CO 0.06 -0.34 -0.02 0.08 -0.00 0.00 0.00 176.95 176.72 1n63 s VAL 298 N 0.94 0.58 0.46 5.86 1.01 -1.26 -1.07 120.40 126.92 1n63 s VAL 298 Ca -0.09 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 1n63 s VAL 298 Cb -0.15 -0.74 -0.08 0.00 0.00 0.00 0.00 36.38 35.41 1n63 s VAL 298 CO 0.00 0.24 0.92 -1.83 0.00 0.00 0.00 175.10 174.43 1n63 s GLU 299 N 1.88 3.98 0.55 2.72 -1.05 -1.03 -5.02 118.70 120.73 1n63 s GLU 299 Ca 0.04 0.88 -0.03 0.00 -0.15 0.00 0.00 54.97 55.71 1n63 s GLU 299 Cb -0.13 -2.21 0.01 0.00 -0.44 0.00 0.00 34.13 31.36 1n63 s GLU 299 CO -0.06 -0.15 0.82 -0.51 0.95 0.00 0.00 175.26 176.30 1n63 s ASP 300 N -2.86 5.56 0.18 0.83 1.01 -1.26 -4.75 116.67 115.38 1n63 s ASP 300 Ca 0.58 0.45 -0.13 0.00 0.71 0.00 0.00 52.55 54.16 1n63 s ASP 300 Cb -0.10 -1.48 0.16 0.00 1.01 0.00 0.00 42.92 42.51 1n63 s ASP 300 CO 0.27 -1.00 1.76 -0.09 0.21 0.00 0.00 175.17 176.31 1n63 h ARG 301 N 0.01 0.37 -0.34 8.23 9.65 -1.98 -0.04 114.38 130.28 1n63 h ARG 301 Ca -0.45 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.37 1n63 h ARG 301 Cb 1.27 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.74 1n63 h ARG 301 CO 0.58 0.25 0.06 0.52 2.80 0.00 0.00 179.97 184.18 1n63 h MET 302 N 0.38 0.51 -0.11 0.20 2.86 -1.95 -0.51 114.93 116.32 1n63 h MET 302 Ca 0.23 -0.09 -0.19 0.00 -2.06 0.00 0.00 59.70 57.60 1n63 h MET 302 Cb 0.22 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1n63 h MET 302 CO -0.22 0.49 -0.72 0.93 1.06 0.00 0.00 176.91 178.45 1n63 h GLU 303 N 0.50 0.50 -0.00 1.72 3.07 -1.72 -2.35 114.58 116.29 1n63 h GLU 303 Ca 0.11 -0.40 0.01 0.00 -0.50 0.00 0.00 59.36 58.59 1n63 h GLU 303 Cb 0.23 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1n63 h GLU 303 CO -0.00 1.03 -0.06 -0.97 -1.40 0.00 0.00 179.01 177.60 1n63 h ASN 304 N 0.35 -0.18 0.21 1.42 -0.73 -0.17 -1.12 115.58 115.36 1n63 h ASN 304 Ca -0.03 0.03 -0.10 0.00 1.87 0.00 0.00 56.30 58.07 1n63 h ASN 304 Cb 1.30 0.08 -0.01 0.00 0.27 0.00 0.00 38.32 39.95 1n63 h ASN 304 CO 0.13 -0.09 -0.38 -0.07 -0.37 0.00 0.00 177.43 176.65 1n63 h LEU 305 N -0.11 0.24 -0.44 0.34 3.38 -1.07 -2.82 115.31 114.84 1n63 h LEU 305 Ca 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1n63 h LEU 305 Cb 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1n63 h LEU 305 CO -0.07 0.61 -0.72 -1.54 0.09 0.00 0.00 178.44 176.81 1n63 n SER 306 N -4.05 1.39 0.00 -0.43 3.41 -0.89 -4.64 113.62 108.41 1n63 n SER 306 Ca -0.01 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 1n63 n SER 306 Cb 0.46 0.77 0.00 0.00 -0.26 0.00 0.00 64.21 65.17 1n63 n SER 306 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1n63 n THR 307 N -0.83 0.00 -3.82 6.66 -2.24 -0.44 -4.54 114.28 109.06 1n63 n THR 307 Ca 0.06 -0.18 -0.24 0.00 -2.27 0.00 0.00 64.05 61.42 1n63 n THR 307 Cb 0.37 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 1n63 n THR 307 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1n63 s THR 308 N -0.31 2.12 -0.27 4.28 -4.23 -1.07 -4.78 115.64 111.38 1n63 s THR 308 Ca 0.00 -1.48 -0.38 0.00 -1.18 0.00 0.00 61.69 58.66 1n63 s THR 308 Cb 0.00 -2.60 -0.14 0.00 1.34 0.00 0.00 72.50 71.11 1n63 s THR 308 CO 0.00 0.00 1.92 -1.54 -0.54 0.00 0.00 174.62 174.46 1n63 n SER 309 N -1.59 2.46 -4.84 3.99 3.41 -1.26 -4.80 113.62 110.99 1n63 n SER 309 Ca 0.00 0.84 -0.29 0.00 -0.26 0.00 0.00 58.87 59.16 1n63 n SER 309 Cb 0.63 -1.21 0.11 0.00 -0.26 0.00 0.00 64.21 63.48 1n63 n SER 309 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1n63 s PHE 310 N 4.91 2.76 0.10 7.33 -0.12 -1.11 -4.39 117.98 127.46 1n63 s PHE 310 Ca 1.02 0.83 0.08 0.00 -0.05 0.00 0.00 56.93 58.81 1n63 s PHE 310 Cb -0.95 -3.41 -0.03 0.00 -0.63 0.00 0.00 43.02 38.00 1n63 s PHE 310 CO 0.58 -2.02 -0.21 0.00 -0.05 0.00 0.00 175.22 173.52 1n63 s ALA 311 N -3.41 1.84 0.00 1.99 0.00 -0.07 -0.36 121.76 121.75 1n63 s ALA 311 Ca 0.63 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1n63 s ALA 311 Cb -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1n63 s ALA 311 CO 0.51 0.38 0.00 0.54 0.00 0.00 0.00 175.76 177.19 1n63 n ARG 312 N 1.15 0.00 -2.90 0.00 5.12 -0.80 -1.38 116.66 117.84 1n63 n ARG 312 Ca -0.19 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.62 1n63 n ARG 312 Cb 0.53 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.89 1n63 n ARG 312 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1n63 n ASP 313 N 6.53 -2.31 -4.41 0.55 2.03 -0.07 -4.77 116.55 114.10 1n63 n ASP 313 Ca 0.00 -0.41 -0.33 0.00 0.52 0.00 0.00 54.79 54.58 1n63 n ASP 313 Cb 0.00 -3.51 -0.14 0.00 -0.72 0.00 0.00 41.12 36.75 1n63 n ASP 313 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1n63 s TYR 314 N -3.24 2.70 -0.38 -0.67 1.51 -0.92 -1.89 117.35 114.47 1n63 s TYR 314 Ca 0.03 -0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 55.64 1n63 s TYR 314 Cb -0.00 -1.71 0.09 0.00 -0.11 0.00 0.00 41.96 40.23 1n63 s TYR 314 CO 0.47 -0.02 0.16 -1.01 -1.11 0.00 0.00 175.55 174.04 1n63 s HIS 315 N -0.24 3.50 -0.37 2.71 3.76 -0.08 -0.59 115.29 123.99 1n63 s HIS 315 Ca 0.01 -2.24 -0.07 0.00 -0.15 0.00 0.00 55.06 52.61 1n63 s HIS 315 Cb -0.13 -2.94 0.06 0.00 1.11 0.00 0.00 32.58 30.68 1n63 s HIS 315 CO 0.03 -0.92 0.15 -1.64 -0.85 0.00 0.00 174.74 171.51 1n63 s MET 316 N 1.18 2.55 -0.59 1.40 1.00 0.13 -1.10 119.30 123.86 1n63 s MET 316 Ca 0.05 -1.32 -0.26 0.00 0.00 0.00 0.00 55.69 54.15 1n63 s MET 316 Cb -0.22 -3.55 0.04 0.00 0.00 0.00 0.00 34.83 31.10 1n63 s MET 316 CO -0.03 -0.78 1.10 0.99 0.00 0.00 0.00 175.02 176.30 1n63 s THR 317 N 1.38 4.13 -0.12 2.05 2.01 0.30 -1.14 115.64 124.25 1n63 s THR 317 Ca 0.00 0.55 0.03 0.00 0.31 0.00 0.00 61.69 62.59 1n63 s THR 317 Cb -0.21 -4.68 0.00 0.00 0.01 0.00 0.00 72.50 67.63 1n63 s THR 317 CO 0.02 -1.33 -0.23 -0.89 -0.69 0.00 0.00 174.62 171.50 1n63 s THR 318 N 4.64 2.06 -0.02 -0.82 2.01 0.59 -0.93 115.64 123.17 1n63 s THR 318 Ca 0.36 -1.00 0.03 0.00 0.31 0.00 0.00 61.69 61.39 1n63 s THR 318 Cb -0.10 -1.80 -0.00 0.00 0.01 0.00 0.00 72.50 70.61 1n63 s THR 318 CO 0.21 0.56 -0.09 -1.61 -0.69 0.00 0.00 174.62 173.00 1n63 s GLU 319 N 0.55 0.84 -0.02 4.92 2.02 0.20 -1.63 118.70 125.58 1n63 s GLU 319 Ca -0.14 -0.31 0.05 0.00 0.02 0.00 0.00 54.97 54.60 1n63 s GLU 319 Cb -0.17 -0.80 -0.03 0.00 0.10 0.00 0.00 34.13 33.23 1n63 s GLU 319 CO 0.04 0.15 -0.17 -0.51 0.02 0.00 0.00 175.26 174.79 1n63 s LEU 320 N 0.02 2.62 -0.10 1.80 1.43 -0.27 -1.26 118.68 122.91 1n63 s LEU 320 Ca -0.00 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1n63 s LEU 320 Cb -0.06 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 1n63 s LEU 320 CO 0.00 0.32 -0.00 0.00 0.23 0.00 0.00 176.35 176.89 1n63 s ALA 321 N -0.77 3.24 0.18 4.21 0.00 -0.31 -0.92 121.76 127.39 1n63 s ALA 321 Ca 0.12 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1n63 s ALA 321 Cb -0.10 -1.52 -0.00 0.00 0.00 0.00 0.00 23.12 21.50 1n63 s ALA 321 CO 0.02 0.50 0.35 0.00 0.00 0.00 0.00 175.76 176.62 1n63 s ALA 322 N -0.59 -0.19 0.68 0.00 0.00 -0.28 -0.30 121.76 121.08 1n63 s ALA 322 Ca 0.10 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 1n63 s ALA 322 Cb -0.12 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 23.88 1n63 s ALA 322 CO 0.02 -0.69 1.07 0.95 0.00 0.00 0.00 175.76 177.11 1n63 s THR 323 N -3.96 3.87 0.41 0.00 -4.23 -0.53 -1.30 115.64 109.91 1n63 s THR 323 Ca 0.16 0.59 0.17 0.00 -1.18 0.00 0.00 61.69 61.43 1n63 s THR 323 Cb 0.02 -3.60 0.18 0.00 1.34 0.00 0.00 72.50 70.44 1n63 s THR 323 CO 0.00 -0.78 1.95 0.11 -0.54 0.00 0.00 174.62 175.36 1n63 h LYS 324 N -0.54 0.00 0.00 3.99 1.57 -1.91 -1.15 116.57 118.53 1n63 h LYS 324 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1n63 h LYS 324 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1n63 h LYS 324 CO 0.63 0.23 0.00 -0.40 -0.57 0.00 0.00 179.45 179.34 1n63 n ASP 325 N -4.09 0.00 0.00 0.86 5.68 -1.26 -4.92 116.55 112.82 1n63 n ASP 325 Ca -0.02 -0.33 0.00 0.00 -0.50 0.00 0.00 54.79 53.94 1n63 n ASP 325 Cb 0.30 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1n63 n ASP 325 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n63 n GLY 326 N 1.12 1.12 3.68 6.12 0.00 -0.44 -5.07 105.19 111.73 1n63 n GLY 326 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1n63 n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n63 s LYS 327 N -0.14 4.26 -0.07 1.61 -0.14 -1.26 -4.84 119.74 119.17 1n63 s LYS 327 Ca 0.00 0.53 -0.30 0.00 -1.36 0.00 0.00 55.97 54.84 1n63 s LYS 327 Cb 0.00 -3.52 -0.02 0.00 -1.68 0.00 0.00 37.83 32.61 1n63 s LYS 327 CO 0.00 -0.06 1.07 0.42 -0.76 0.00 0.00 175.35 176.02 1n63 s ILE 328 N 1.33 4.59 -0.13 2.17 1.01 -1.26 -1.45 121.20 127.46 1n63 s ILE 328 Ca 0.27 1.87 0.17 0.00 0.00 0.00 0.00 60.65 62.97 1n63 s ILE 328 Cb -0.16 -4.20 -0.24 0.00 0.01 0.00 0.00 42.46 37.87 1n63 s ILE 328 CO 0.11 0.03 0.16 0.18 0.00 0.00 0.00 174.94 175.42 1n63 n LEU 329 N 4.87 0.00 -3.55 2.97 4.77 0.59 -4.58 117.00 122.06 1n63 n LEU 329 Ca 0.09 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.00 1n63 n LEU 329 Cb 0.48 0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.87 1n63 n LEU 329 CO 0.53 0.32 0.77 0.00 -1.33 0.00 0.00 177.39 177.68 1n63 s ALA 330 N -2.68 -1.87 -0.02 -1.18 0.00 -1.19 -3.99 121.76 110.83 1n63 s ALA 330 Ca -0.08 1.01 0.03 0.00 0.00 0.00 0.00 51.96 52.92 1n63 s ALA 330 Cb 0.07 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.53 1n63 s ALA 330 CO 0.75 -0.72 -0.11 1.41 0.00 0.00 0.00 175.76 177.09 1n63 s MET 331 N -2.98 1.02 -0.07 0.00 1.75 -1.17 -1.16 119.30 116.70 1n63 s MET 331 Ca 0.07 -0.39 -0.00 0.00 -1.25 0.00 0.00 55.69 54.12 1n63 s MET 331 Cb -0.01 -0.96 0.02 0.00 2.84 0.00 0.00 34.83 36.73 1n63 s MET 331 CO -0.07 0.20 -0.04 0.50 -0.65 0.00 0.00 175.02 174.96 1n63 s ARG 332 N -0.06 0.91 -0.02 4.11 3.52 -0.39 -1.47 118.95 125.55 1n63 s ARG 332 Ca 0.01 -0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.54 1n63 s ARG 332 Cb -0.07 -1.05 0.03 0.00 -1.56 0.00 0.00 34.95 32.30 1n63 s ARG 332 CO 0.00 -0.19 0.02 0.00 -0.81 0.00 0.00 175.30 174.32 1n63 s HIS 334 N 0.93 1.63 -0.04 0.00 -3.43 -0.10 -1.50 115.29 112.79 1n63 s HIS 334 Ca -0.08 -0.45 0.06 0.00 -0.80 0.00 0.00 55.06 53.80 1n63 s HIS 334 Cb -0.11 -1.10 -0.02 0.00 -1.43 0.00 0.00 32.58 29.92 1n63 s HIS 334 CO -0.02 -0.14 -0.22 0.08 -2.00 0.00 0.00 174.74 172.43 1n63 s VAL 335 N -0.00 2.39 -0.31 -5.38 1.01 0.18 -0.53 120.40 117.76 1n63 s VAL 335 Ca -0.02 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 1n63 s VAL 335 Cb -0.11 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.41 1n63 s VAL 335 CO 0.02 0.58 0.11 -0.22 0.00 0.00 0.00 175.10 175.59 1n63 s LEU 336 N -0.58 4.02 -0.25 3.92 2.96 -0.26 -0.89 118.68 127.60 1n63 s LEU 336 Ca 0.09 -0.72 -0.08 0.00 -0.22 0.00 0.00 54.13 53.21 1n63 s LEU 336 Cb -0.11 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1n63 s LEU 336 CO 0.00 -0.22 0.08 0.00 -1.32 0.00 0.00 176.35 174.89 1n63 s ALA 337 N 1.53 3.19 -0.54 5.97 0.00 0.55 -0.90 121.76 131.56 1n63 s ALA 337 Ca 0.03 -1.11 -0.22 0.00 0.00 0.00 0.00 51.96 50.65 1n63 s ALA 337 Cb -0.17 -2.10 0.05 0.00 0.00 0.00 0.00 23.12 20.90 1n63 s ALA 337 CO 0.04 -0.46 0.83 0.34 0.00 0.00 0.00 175.76 176.50 1n63 s ASP 338 N 1.57 6.30 0.00 0.00 -1.08 -0.79 -1.02 116.67 121.65 1n63 s ASP 338 Ca 0.06 -0.56 0.25 0.00 -0.52 0.00 0.00 52.55 51.78 1n63 s ASP 338 Cb -0.15 -2.38 0.46 0.00 -1.46 0.00 0.00 42.92 39.39 1n63 s ASP 338 CO 0.04 -1.11 1.41 1.41 0.52 0.00 0.00 175.17 177.45 1n63 n HIS 339 N 6.99 0.10 -4.60 -5.34 8.25 -0.60 -4.86 115.22 115.17 1n63 n HIS 339 Ca -0.01 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1n63 n HIS 339 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1n63 n HIS 339 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n63 n GLY 340 N 1.32 0.14 0.12 -1.41 0.00 -1.26 -4.11 105.19 100.00 1n63 n GLY 340 Ca 0.16 -0.95 0.01 0.00 0.00 0.00 0.00 46.02 45.24 1n63 n GLY 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 h ALA 341 N -0.60 0.63 -4.01 4.61 0.00 0.22 -2.17 119.26 117.94 1n63 h ALA 341 Ca 0.00 -0.55 -0.40 0.00 0.00 0.00 0.00 54.91 53.96 1n63 h ALA 341 Cb 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 17.79 17.45 1n63 h ALA 341 CO 0.00 0.74 -0.78 -0.06 0.00 0.00 0.00 179.25 179.15 1n63 s PHE 342 N -2.92 0.85 -0.78 0.00 0.40 -1.26 -4.86 117.98 109.40 1n63 s PHE 342 Ca 0.03 -0.18 -0.25 0.00 -0.60 0.00 0.00 56.93 55.93 1n63 s PHE 342 Cb 0.08 -0.54 0.04 0.00 0.51 0.00 0.00 43.02 43.11 1n63 s PHE 342 CO 0.76 -0.01 1.26 0.34 0.70 0.00 0.00 175.22 178.27 1n63 s ASP 343 N -0.30 6.24 -0.21 1.36 2.15 -1.26 -4.51 116.67 120.14 1n63 s ASP 343 Ca 0.03 -0.76 0.14 0.00 0.43 0.00 0.00 52.55 52.40 1n63 s ASP 343 Cb -0.04 -2.54 0.46 0.00 -0.30 0.00 0.00 42.92 40.51 1n63 s ASP 343 CO -0.00 -1.70 1.36 0.00 -0.17 0.00 0.00 175.17 174.66 1n63 n ALA 344 N 8.96 3.32 -2.21 3.66 0.00 -1.26 -4.13 120.51 128.84 1n63 n ALA 344 Ca 0.08 -2.73 -0.43 0.00 0.00 0.00 0.00 53.44 50.37 1n63 n ALA 344 Cb 0.49 -0.62 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 1n63 n ALA 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n63 s ALA 346 N 4.09 3.07 0.13 0.00 0.00 -1.26 -3.51 121.76 124.28 1n63 s ALA 346 Ca 0.65 0.02 -0.13 0.00 0.00 0.00 0.00 51.96 52.50 1n63 s ALA 346 Cb -0.26 -3.93 0.02 0.00 0.00 0.00 0.00 23.12 18.95 1n63 s ALA 346 CO 0.23 -2.32 0.33 -0.51 0.00 0.00 0.00 175.76 173.50 1n63 s ASP 347 N 4.24 -0.08 0.59 0.00 1.01 -1.26 -4.91 116.67 116.26 1n63 s ASP 347 Ca 0.65 -0.53 -0.19 0.00 0.71 0.00 0.00 52.55 53.19 1n63 s ASP 347 Cb -0.17 0.44 -0.05 0.00 1.01 0.00 0.00 42.92 44.15 1n63 s ASP 347 CO 0.31 -0.85 0.98 -2.65 0.21 0.00 0.00 175.17 173.17 1n63 n PRO 348 N -0.19 0.93 0.20 8.23 -0.02 -1.26 -4.79 135.00 138.10 1n63 n PRO 348 Ca -0.13 0.36 0.04 0.00 -2.02 0.00 0.00 63.50 61.74 1n63 n PRO 348 Cb 0.63 -2.18 0.41 0.00 -0.02 0.00 0.00 33.50 32.34 1n63 n PRO 348 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1n63 h SER 349 N 0.55 0.00 -0.26 2.55 4.64 -1.28 -2.05 113.55 117.70 1n63 h SER 349 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1n63 h SER 349 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1n63 h SER 349 CO 0.51 0.32 0.00 0.29 -0.87 0.00 0.00 176.83 177.09 1n63 n LYS 350 N -4.07 1.76 -3.55 4.77 5.02 -1.26 -4.66 118.16 116.17 1n63 n LYS 350 Ca -0.02 -1.17 -0.27 0.00 -2.02 0.00 0.00 58.31 54.84 1n63 n LYS 350 Cb 0.37 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 33.95 1n63 n LYS 350 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1n63 n TRP 351 N 0.41 1.24 0.40 2.13 7.02 -0.77 -4.96 117.44 122.91 1n63 n TRP 351 Ca 0.14 -3.81 0.11 0.00 -1.02 0.00 0.00 57.50 52.91 1n63 n TRP 351 Cb 0.31 -0.25 0.45 0.00 -2.42 0.00 0.00 31.31 29.40 1n63 n TRP 351 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1n63 n PRO 352 N 2.05 0.15 -0.67 -0.99 -0.04 -1.26 -1.14 135.00 133.10 1n63 n PRO 352 Ca 0.25 0.40 0.02 0.00 -0.04 0.00 0.00 63.50 64.13 1n63 n PRO 352 Cb 0.43 -1.79 0.20 0.00 -0.04 0.00 0.00 33.50 32.31 1n63 n PRO 352 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n63 n ALA 353 N -1.71 3.89 -0.78 0.55 0.00 -1.26 -5.06 120.51 116.14 1n63 n ALA 353 Ca 0.02 -3.23 0.00 0.00 0.00 0.00 0.00 53.44 50.23 1n63 n ALA 353 Cb 0.20 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1n63 n ALA 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n63 n GLY 354 N -1.13 2.08 2.27 0.00 0.00 -0.29 -1.96 105.19 106.16 1n63 n GLY 354 Ca 0.25 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1n63 n GLY 354 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n63 n PHE 355 N 9.30 3.14 0.27 1.61 3.72 0.91 -4.61 117.46 131.80 1n63 n PHE 355 Ca 0.00 -2.87 0.18 0.00 -0.05 0.00 0.00 57.45 54.71 1n63 n PHE 355 Cb 0.00 -1.23 0.94 0.00 -0.94 0.00 0.00 39.48 38.24 1n63 n PHE 355 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1n63 h MET 356 N 2.03 0.00 -0.54 -1.08 1.85 -1.52 -1.00 114.93 114.67 1n63 h MET 356 Ca 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.65 1n63 h MET 356 Cb 0.96 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.99 1n63 h MET 356 CO 1.43 0.00 0.00 0.27 -0.40 0.00 0.00 176.91 178.21 1n63 n ASN 357 N -3.59 0.54 -0.61 1.39 6.94 -1.26 -1.72 115.26 116.94 1n63 n ASN 357 Ca -0.01 -1.53 0.06 0.00 -0.02 0.00 0.00 54.58 53.08 1n63 n ASN 357 Cb 0.21 -0.27 0.18 0.00 -2.36 0.00 0.00 39.78 37.54 1n63 n ASN 357 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n63 n ILE 358 N -0.06 0.42 1.06 1.53 0.13 -0.38 -4.59 119.36 117.46 1n63 n ILE 358 Ca 0.00 -0.44 0.08 0.00 -1.10 0.00 0.00 62.75 61.30 1n63 n ILE 358 Cb 0.13 0.24 0.50 0.00 -0.84 0.00 0.00 39.64 39.68 1n63 n ILE 358 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1n63 n THR 360 N -1.00 0.00 -4.84 0.00 -2.24 -1.26 -4.39 114.28 100.54 1n63 n THR 360 Ca 0.13 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1n63 n THR 360 Cb 0.06 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1n63 n THR 360 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n63 n GLY 361 N 1.23 1.77 0.77 3.38 0.00 -0.36 -3.27 105.19 108.70 1n63 n GLY 361 Ca 0.16 -0.56 0.05 0.00 0.00 0.00 0.00 46.02 45.67 1n63 n GLY 361 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n63 n SER 362 N -0.31 2.18 -4.54 1.61 7.64 -1.26 -4.84 113.62 114.10 1n63 n SER 362 Ca 0.00 -2.12 -0.31 0.00 1.01 0.00 0.00 58.87 57.45 1n63 n SER 362 Cb 0.00 -0.33 -0.11 0.00 -1.01 0.00 0.00 64.21 62.76 1n63 n SER 362 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1n63 s TYR 363 N -1.62 2.71 -0.60 1.43 2.02 -1.20 -1.61 117.35 118.47 1n63 s TYR 363 Ca 0.23 -0.16 -0.23 0.00 -0.37 0.00 0.00 57.07 56.54 1n63 s TYR 363 Cb 0.14 -1.49 0.06 0.00 -0.40 0.00 0.00 41.96 40.26 1n63 s TYR 363 CO 0.13 0.35 0.93 0.34 -1.57 0.00 0.00 175.55 175.72 1n63 s ASP 364 N -1.69 6.25 0.06 2.29 2.15 -0.02 -4.74 116.67 120.96 1n63 s ASP 364 Ca 0.18 -0.71 0.09 0.00 0.43 0.00 0.00 52.55 52.53 1n63 s ASP 364 Cb -0.11 -2.42 -0.03 0.00 -0.30 0.00 0.00 42.92 40.06 1n63 s ASP 364 CO 0.09 -1.31 -0.24 -0.04 -0.17 0.00 0.00 175.17 173.50 1n63 s MET 365 N 3.90 1.79 0.29 4.34 -1.94 -1.26 -4.87 119.30 121.55 1n63 s MET 365 Ca 0.25 -1.13 0.12 0.00 -1.71 0.00 0.00 55.69 53.22 1n63 s MET 365 Cb -0.15 -2.02 0.42 0.00 2.01 0.00 0.00 34.83 35.09 1n63 s MET 365 CO 0.14 0.51 1.64 -1.35 -0.01 0.00 0.00 175.02 175.94 1n63 h PRO 366 N 4.51 0.00 -2.13 2.03 0.11 -1.81 -3.41 132.00 131.30 1n63 h PRO 366 Ca -0.48 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1n63 h PRO 366 Cb 1.15 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.07 1n63 h PRO 366 CO 0.44 0.57 0.14 0.54 -0.21 0.00 0.00 178.00 179.47 1n63 s VAL 367 N -3.63 0.01 0.21 3.15 0.11 -1.26 -4.89 120.40 114.11 1n63 s VAL 367 Ca -0.01 -0.06 -0.23 0.00 -2.93 0.00 0.00 61.98 58.76 1n63 s VAL 367 Cb 0.12 -0.96 0.05 0.00 -1.53 0.00 0.00 36.38 34.07 1n63 s VAL 367 CO 0.75 -0.03 0.72 0.00 -3.33 0.00 0.00 175.10 173.21 1n63 s ALA 368 N -1.22 -1.43 -0.14 1.54 0.00 -1.26 -3.03 121.76 116.22 1n63 s ALA 368 Ca -0.11 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.80 1n63 s ALA 368 Cb -0.01 0.81 0.04 0.00 0.00 0.00 0.00 23.12 23.96 1n63 s ALA 368 CO 0.09 -0.93 0.36 -1.58 0.00 0.00 0.00 175.76 173.70 1n63 s HIS 369 N -3.74 -0.42 -0.01 0.00 2.46 -0.54 -1.37 115.29 111.67 1n63 s HIS 369 Ca 0.08 1.00 0.02 0.00 0.47 0.00 0.00 55.06 56.63 1n63 s HIS 369 Cb -0.04 0.15 -0.00 0.00 -0.13 0.00 0.00 32.58 32.56 1n63 s HIS 369 CO -0.01 -0.21 -0.07 -1.17 -2.47 0.00 0.00 174.74 170.81 1n63 s LEU 370 N 0.39 1.91 -0.00 8.88 2.96 -0.24 -1.52 118.68 131.07 1n63 s LEU 370 Ca -0.02 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1n63 s LEU 370 Cb -0.04 -0.40 -0.01 0.00 0.50 0.00 0.00 46.19 46.25 1n63 s LEU 370 CO -0.02 0.07 -0.07 0.00 -1.32 0.00 0.00 176.35 175.01 1n63 s ALA 371 N -0.01 0.62 -0.04 5.97 0.00 -0.56 -1.05 121.76 126.68 1n63 s ALA 371 Ca 0.01 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1n63 s ALA 371 Cb -0.05 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1n63 s ALA 371 CO -0.00 0.14 -0.04 0.08 0.00 0.00 0.00 175.76 175.94 1n63 s VAL 372 N -0.23 0.50 -0.16 0.00 1.01 0.55 -0.65 120.40 121.41 1n63 s VAL 372 Ca 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 1n63 s VAL 372 Cb -0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1n63 s VAL 372 CO -0.00 0.21 -0.12 -1.81 0.00 0.00 0.00 175.10 173.38 1n63 s ASP 373 N 0.88 3.91 -0.08 3.32 1.01 -0.07 -0.84 116.67 124.80 1n63 s ASP 373 Ca -0.12 -0.41 -0.09 0.00 0.71 0.00 0.00 52.55 52.65 1n63 s ASP 373 Cb -0.14 -1.62 -0.04 0.00 1.01 0.00 0.00 42.92 42.12 1n63 s ASP 373 CO 0.00 0.08 0.21 -0.83 0.21 0.00 0.00 175.17 174.85 1n63 s GLY 374 N 0.83 2.24 0.08 0.21 0.00 -0.67 -0.33 107.32 109.68 1n63 s GLY 374 Ca -0.04 -0.54 0.05 0.00 0.00 0.00 0.00 44.72 44.20 1n63 s GLY 374 CO 0.00 -0.26 -0.15 -1.34 0.00 0.00 0.00 173.10 171.36 1n63 s VAL 375 N -1.06 1.17 0.18 1.40 -7.23 -0.19 -0.46 120.40 114.22 1n63 s VAL 375 Ca 0.18 -1.36 -0.21 0.00 -1.81 0.00 0.00 61.98 58.78 1n63 s VAL 375 Cb -0.13 -1.15 -0.08 0.00 0.56 0.00 0.00 36.38 35.58 1n63 s VAL 375 CO 0.07 -0.23 0.71 -0.31 -0.31 0.00 0.00 175.10 175.03 1n63 s TYR 376 N -1.34 3.75 0.19 2.82 2.02 -0.32 -1.56 117.35 122.91 1n63 s TYR 376 Ca -0.00 1.44 -0.05 0.00 -0.37 0.00 0.00 57.07 58.09 1n63 s TYR 376 Cb -0.10 -2.64 -0.03 0.00 -0.40 0.00 0.00 41.96 38.80 1n63 s TYR 376 CO 0.02 0.43 0.21 0.95 -1.57 0.00 0.00 175.55 175.60 1n63 s THR 377 N -1.34 0.03 -1.42 -0.71 -4.23 -0.81 -4.92 115.64 102.24 1n63 s THR 377 Ca 0.38 -1.76 -0.11 0.00 -1.18 0.00 0.00 61.69 59.03 1n63 s THR 377 Cb -0.19 -2.24 0.06 0.00 1.34 0.00 0.00 72.50 71.47 1n63 s THR 377 CO 0.22 -0.14 2.29 0.59 -0.54 0.00 0.00 174.62 177.04 1n63 n ASN 378 N -0.25 5.75 -4.03 3.99 5.03 -0.03 -1.32 115.26 124.40 1n63 n ASN 378 Ca -0.02 -2.91 -0.10 0.00 0.87 0.00 0.00 54.58 52.43 1n63 n ASN 378 Cb 0.64 -1.54 -0.08 0.00 -1.02 0.00 0.00 39.78 37.78 1n63 n ASN 378 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1n63 s LYS 379 N 1.56 1.08 0.84 3.52 1.02 -1.24 -4.60 119.74 121.92 1n63 s LYS 379 Ca 0.50 -1.28 -0.12 0.00 0.02 0.00 0.00 55.97 55.09 1n63 s LYS 379 Cb 0.14 0.33 0.10 0.00 -0.52 0.00 0.00 37.83 37.88 1n63 s LYS 379 CO -0.06 -0.37 1.19 0.00 -0.92 0.00 0.00 175.35 175.20 1n63 s ALA 380 N -4.00 1.74 0.67 5.17 0.00 -1.26 -1.11 121.76 122.97 1n63 s ALA 380 Ca 0.20 0.79 -0.02 0.00 0.00 0.00 0.00 51.96 52.93 1n63 s ALA 380 Cb 0.05 -3.49 0.09 0.00 0.00 0.00 0.00 23.12 19.77 1n63 s ALA 380 CO 0.01 -2.43 0.94 -1.54 0.00 0.00 0.00 175.76 172.74 1n63 s SER 381 N -2.28 4.68 0.00 0.00 1.04 -1.26 -4.13 113.70 111.75 1n63 s SER 381 Ca 0.72 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 57.07 1n63 s SER 381 Cb -0.27 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.34 1n63 s SER 381 CO 0.52 -1.62 0.00 0.61 0.98 0.00 0.00 173.24 173.74 1n63 n GLY 382 N -2.73 0.44 0.00 7.32 0.00 -1.26 -2.75 105.19 106.21 1n63 n GLY 382 Ca 0.11 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1n63 n GLY 382 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n63 n GLY 383 N 0.00 3.43 3.50 -0.02 0.00 0.52 -4.03 105.19 108.59 1n63 n GLY 383 Ca 0.00 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1n63 n GLY 383 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n63 s VAL 384 N 0.00 4.92 -0.14 1.61 1.01 -1.26 -1.91 120.40 124.64 1n63 s VAL 384 Ca 0.00 -0.09 -0.34 0.00 0.00 0.00 0.00 61.98 61.55 1n63 s VAL 384 Cb 0.00 -4.15 0.15 0.00 0.00 0.00 0.00 36.38 32.38 1n63 s VAL 384 CO 0.00 -0.55 1.44 0.00 0.00 0.00 0.00 175.10 175.98 1n63 s ALA 385 N 2.57 -2.46 -0.70 5.51 0.00 -1.26 -4.53 121.76 120.88 1n63 s ALA 385 Ca 0.18 1.16 -0.02 0.00 0.00 0.00 0.00 51.96 53.28 1n63 s ALA 385 Cb -0.15 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1n63 s ALA 385 CO 0.17 -0.96 0.60 0.98 0.00 0.00 0.00 175.76 176.55 1n63 n TYR 386 N -0.41 -1.49 -3.68 0.00 9.36 0.10 -3.61 117.16 117.44 1n63 n TYR 386 Ca -0.07 0.56 -0.25 0.00 3.32 0.00 0.00 57.90 61.47 1n63 n TYR 386 Cb 0.62 -3.70 0.06 0.00 -0.63 0.00 0.00 39.34 35.70 1n63 n TYR 386 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1n63 n ARG 387 N -2.75 -6.92 0.10 2.98 1.74 -1.25 -4.94 116.66 105.62 1n63 n ARG 387 Ca -0.10 0.75 0.12 0.00 -0.77 0.00 0.00 57.85 57.85 1n63 n ARG 387 Cb 0.59 -5.72 0.10 0.00 -1.02 0.00 0.00 32.46 26.41 1n63 n ARG 387 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n63 n SER 389 N -2.48 -5.24 -1.83 0.00 7.64 -1.26 -0.22 113.62 110.24 1n63 n SER 389 Ca 0.02 0.24 -0.01 0.00 1.01 0.00 0.00 58.87 60.12 1n63 n SER 389 Cb 0.50 -4.51 0.01 0.00 -1.01 0.00 0.00 64.21 59.20 1n63 n SER 389 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1n63 n PHE 390 N -3.11 -0.55 -1.01 1.43 3.72 -1.26 -4.25 117.46 112.42 1n63 n PHE 390 Ca -0.21 0.20 -0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1n63 n PHE 390 Cb 0.65 -2.38 -0.00 0.00 -0.94 0.00 0.00 39.48 36.81 1n63 n PHE 390 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1n63 n ARG 391 N -1.46 -0.86 -0.00 -1.08 5.12 -1.04 -0.06 116.66 117.28 1n63 n ARG 391 Ca -0.01 0.25 -0.07 0.00 -1.93 0.00 0.00 57.85 56.09 1n63 n ARG 391 Cb 0.51 -3.91 0.11 0.00 -1.16 0.00 0.00 32.46 28.01 1n63 n ARG 391 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1n63 h VAL 392 N 0.00 1.30 -0.56 1.55 2.07 -0.78 -1.89 116.25 117.95 1n63 h VAL 392 Ca -0.01 -1.56 0.11 0.00 0.82 0.00 0.00 66.70 66.06 1n63 h VAL 392 Cb 0.44 1.56 -0.11 0.00 -1.52 0.00 0.00 31.29 31.67 1n63 h VAL 392 CO 0.01 0.49 -0.14 0.71 0.02 0.00 0.00 177.57 178.66 1n63 h THR 393 N 0.45 0.44 -0.44 2.57 1.35 -1.72 0.01 112.91 115.57 1n63 h THR 393 Ca 0.04 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.85 1n63 h THR 393 Cb 0.90 0.44 -0.02 0.00 -1.73 0.00 0.00 68.15 67.73 1n63 h THR 393 CO 0.08 0.00 0.09 -0.33 -0.25 0.00 0.00 175.52 175.11 1n63 h GLU 394 N -0.00 0.71 -0.39 4.72 3.07 -1.82 -0.86 114.58 120.01 1n63 h GLU 394 Ca 0.27 -0.18 0.02 0.00 -0.50 0.00 0.00 59.36 58.97 1n63 h GLU 394 Cb 0.41 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 1n63 h GLU 394 CO -0.58 0.73 0.22 0.00 -1.40 0.00 0.00 179.01 177.98 1n63 h ALA 395 N 0.96 0.49 -0.31 3.43 0.00 -0.88 -0.18 119.26 122.77 1n63 h ALA 395 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1n63 h ALA 395 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1n63 h ALA 395 CO 0.00 -0.13 -0.29 0.28 0.00 0.00 0.00 179.25 179.12 1n63 h VAL 396 N 0.44 1.30 -0.44 0.00 2.07 -0.92 -2.11 116.25 116.58 1n63 h VAL 396 Ca 0.16 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.25 1n63 h VAL 396 Cb 0.04 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1n63 h VAL 396 CO -0.09 0.47 0.26 0.22 0.02 0.00 0.00 177.57 178.44 1n63 h TYR 397 N 0.49 0.48 -0.22 1.57 3.20 -0.95 0.36 116.97 121.90 1n63 h TYR 397 Ca 0.05 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.99 1n63 h TYR 397 Cb 0.86 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.91 1n63 h TYR 397 CO 0.07 0.27 -0.18 0.00 -1.64 0.00 0.00 178.16 176.68 1n63 h ALA 398 N 1.20 -0.04 -0.09 1.82 0.00 -0.82 -1.05 119.26 120.29 1n63 h ALA 398 Ca 0.18 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 1n63 h ALA 398 Cb 0.03 0.40 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1n63 h ALA 398 CO -0.09 -0.61 -0.52 0.97 0.00 0.00 0.00 179.25 179.00 1n63 h ILE 399 N -0.19 1.37 -0.01 0.00 6.09 -1.21 -1.11 117.51 122.46 1n63 h ILE 399 Ca 0.13 -1.86 -0.13 0.00 -1.37 0.00 0.00 64.86 61.64 1n63 h ILE 399 Cb 0.38 2.23 -0.02 0.00 0.47 0.00 0.00 36.82 39.89 1n63 h ILE 399 CO -0.34 0.56 -0.59 -0.33 -3.07 0.00 0.00 178.15 174.38 1n63 h GLU 400 N 0.11 0.02 -0.23 2.19 4.39 -0.89 0.10 114.58 120.27 1n63 h GLU 400 Ca -0.04 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 1n63 h GLU 400 Cb 1.17 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1n63 h GLU 400 CO 0.11 0.61 -0.18 0.00 -1.16 0.00 0.00 179.01 178.38 1n63 h ARG 401 N 0.01 0.54 -0.68 2.33 2.47 -1.22 -3.13 114.38 114.70 1n63 h ARG 401 Ca -0.01 -0.27 -0.02 0.00 -1.26 0.00 0.00 59.98 58.43 1n63 h ARG 401 Cb 1.05 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.34 1n63 h ARG 401 CO 0.08 0.84 0.36 0.00 0.56 0.00 0.00 179.97 181.81 1n63 h ALA 402 N 0.68 1.36 -0.66 0.04 0.00 -0.70 -0.75 119.26 119.23 1n63 h ALA 402 Ca 0.04 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1n63 h ALA 402 Cb 0.72 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1n63 h ALA 402 CO 0.05 0.52 0.38 0.82 0.00 0.00 0.00 179.25 181.02 1n63 h ILE 403 N 0.95 1.00 -0.30 0.00 1.08 -0.86 -0.15 117.51 119.23 1n63 h ILE 403 Ca 0.24 -0.24 -0.12 0.00 -0.39 0.00 0.00 64.86 64.35 1n63 h ILE 403 Cb 0.05 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.01 1n63 h ILE 403 CO -0.04 0.13 -0.28 -0.33 -0.69 0.00 0.00 178.15 176.95 1n63 h GLU 404 N 0.71 0.72 -0.01 2.37 4.39 -1.26 -0.27 114.58 121.24 1n63 h GLU 404 Ca 0.29 -0.37 -0.12 0.00 0.34 0.00 0.00 59.36 59.50 1n63 h GLU 404 Cb 0.14 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1n63 h GLU 404 CO -0.16 0.99 -0.55 1.79 -1.16 0.00 0.00 179.01 179.91 1n63 h THR 405 N 0.47 1.40 -0.30 1.13 1.35 -1.01 -1.78 112.91 114.16 1n63 h THR 405 Ca 0.05 -1.90 -0.03 0.00 -0.55 0.00 0.00 66.41 63.98 1n63 h THR 405 Cb 0.84 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 69.27 1n63 h THR 405 CO 0.07 0.54 0.08 0.25 -0.25 0.00 0.00 175.52 176.21 1n63 h LEU 406 N 0.01 0.46 -0.61 3.87 5.85 -0.91 -2.31 115.31 121.67 1n63 h LEU 406 Ca -0.00 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.54 1n63 h LEU 406 Cb 0.99 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 1n63 h LEU 406 CO 0.07 0.56 0.34 0.00 -0.34 0.00 0.00 178.44 179.08 1n63 h ALA 407 N 0.91 0.81 -0.47 1.25 0.00 -0.77 0.12 119.26 121.10 1n63 h ALA 407 Ca 0.10 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1n63 h ALA 407 Cb 0.28 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1n63 h ALA 407 CO 0.00 0.02 0.18 1.96 0.00 0.00 0.00 179.25 181.41 1n63 h GLN 408 N 0.64 0.35 0.00 0.00 4.20 -1.26 -0.30 115.11 118.75 1n63 h GLN 408 Ca 0.27 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.90 1n63 h GLN 408 Cb 0.14 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1n63 h GLN 408 CO -0.16 0.23 -0.30 0.00 -0.67 0.00 0.00 178.83 177.94 1n63 h ARG 409 N 0.36 0.00 0.00 1.46 3.08 -0.68 -2.39 114.38 116.21 1n63 h ARG 409 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1n63 h ARG 409 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1n63 h ARG 409 CO -0.21 0.30 -0.33 1.28 -1.07 0.00 0.00 179.97 179.94 1n63 n LEU 410 N -3.82 0.40 -3.58 3.04 4.77 0.31 -4.94 117.00 113.18 1n63 n LEU 410 Ca -0.01 0.23 -0.20 0.00 -0.03 0.00 0.00 56.01 55.99 1n63 n LEU 410 Cb 0.38 -0.32 0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1n63 n LEU 410 CO 0.36 0.04 0.07 -0.62 -1.33 0.00 0.00 177.39 175.90 1n63 n GLU 411 N -1.65 -6.16 -4.39 3.23 1.02 -0.23 -5.01 120.64 107.45 1n63 n GLU 411 Ca 0.06 0.75 -0.25 0.00 -0.02 0.00 0.00 57.16 57.70 1n63 n GLU 411 Cb 0.36 -5.62 -0.12 0.00 -0.02 0.00 0.00 31.44 26.05 1n63 n GLU 411 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1n63 s MET 412 N -5.78 1.43 0.14 3.49 1.75 -0.55 -5.04 119.30 114.74 1n63 s MET 412 Ca 0.13 -1.48 -0.30 0.00 -1.25 0.00 0.00 55.69 52.79 1n63 s MET 412 Cb -0.06 -1.67 -0.07 0.00 2.84 0.00 0.00 34.83 35.87 1n63 s MET 412 CO 0.76 0.36 1.22 0.34 -0.65 0.00 0.00 175.02 177.05 1n63 s ASP 413 N -2.64 7.05 0.42 1.11 2.15 -1.26 -4.45 116.67 119.05 1n63 s ASP 413 Ca 0.19 2.18 0.23 0.00 0.43 0.00 0.00 52.55 55.58 1n63 s ASP 413 Cb -0.07 -2.60 0.76 0.00 -0.30 0.00 0.00 42.92 40.71 1n63 s ASP 413 CO 0.09 -0.43 1.75 0.77 -0.17 0.00 0.00 175.17 177.18 1n63 h SER 414 N 5.86 0.00 0.06 -0.34 4.64 -1.92 -1.67 113.55 120.17 1n63 h SER 414 Ca -0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1n63 h SER 414 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1n63 h SER 414 CO 0.78 0.23 -0.03 0.00 -0.87 0.00 0.00 176.83 176.94 1n63 h ALA 415 N 1.77 -0.07 -0.92 5.18 0.00 -1.99 -2.03 119.26 121.20 1n63 h ALA 415 Ca -0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1n63 h ALA 415 Cb 0.86 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 1n63 h ALA 415 CO 0.03 -0.51 0.60 -0.44 0.00 0.00 0.00 179.25 178.92 1n63 h ASP 416 N -0.13 0.92 -0.71 0.00 3.32 -1.84 -1.03 116.42 116.94 1n63 h ASP 416 Ca -0.01 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1n63 h ASP 416 Cb 0.11 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1n63 h ASP 416 CO 0.01 0.59 0.30 0.25 -1.72 0.00 0.00 179.24 178.68 1n63 h LEU 417 N 1.05 0.97 -0.21 1.55 5.85 -1.21 -1.32 115.31 121.99 1n63 h LEU 417 Ca 0.39 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1n63 h LEU 417 Cb 0.19 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1n63 h LEU 417 CO -0.15 0.87 0.06 0.03 -0.34 0.00 0.00 178.44 178.91 1n63 h ARG 418 N 1.02 0.32 -0.15 1.25 3.08 -0.98 -2.82 114.38 116.10 1n63 h ARG 418 Ca 0.24 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1n63 h ARG 418 Cb 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1n63 h ARG 418 CO -0.02 0.43 -0.01 0.82 -1.07 0.00 0.00 179.97 180.12 1n63 h ILE 419 N 0.16 1.11 0.00 2.04 2.04 -0.87 -0.44 117.51 121.54 1n63 h ILE 419 Ca 0.07 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1n63 h ILE 419 Cb 0.24 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1n63 h ILE 419 CO -0.00 0.14 0.00 0.50 0.00 0.00 0.00 178.15 178.79 1n63 h LYS 420 N 0.21 0.00 -0.00 2.37 3.64 -1.00 -3.24 116.57 118.55 1n63 h LYS 420 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1n63 h LYS 420 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1n63 h LYS 420 CO 0.00 0.00 -0.05 0.09 -2.27 0.00 0.00 179.45 177.22 1n63 n ASN 421 N -3.01 0.79 -4.76 4.20 3.02 -0.45 -4.98 115.26 110.07 1n63 n ASN 421 Ca 0.01 -0.89 -0.38 0.00 -0.03 0.00 0.00 54.58 53.28 1n63 n ASN 421 Cb 0.31 0.42 0.02 0.00 -0.61 0.00 0.00 39.78 39.92 1n63 n ASN 421 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1n63 s PHE 422 N -0.68 2.50 0.14 3.10 0.08 -0.30 -0.84 117.98 121.97 1n63 s PHE 422 Ca 0.03 1.40 -0.31 0.00 0.12 0.00 0.00 56.93 58.17 1n63 s PHE 422 Cb 0.02 -3.70 -0.10 0.00 -0.57 0.00 0.00 43.02 38.68 1n63 s PHE 422 CO 0.07 -2.49 1.67 0.42 -0.10 0.00 0.00 175.22 174.79 1n63 s ILE 423 N -1.35 2.59 0.39 0.64 1.01 -0.64 -4.53 121.20 119.31 1n63 s ILE 423 Ca 0.67 0.30 -0.08 0.00 0.00 0.00 0.00 60.65 61.54 1n63 s ILE 423 Cb -0.38 -3.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.85 1n63 s ILE 423 CO 0.46 0.01 0.71 -1.10 0.00 0.00 0.00 174.94 175.02 1n63 s GLN 424 N 1.82 3.70 0.34 2.79 -1.52 -1.26 -4.57 119.66 120.95 1n63 s GLN 424 Ca 0.74 0.29 0.04 0.00 -1.95 0.00 0.00 55.36 54.47 1n63 s GLN 424 Cb -0.44 -2.46 0.65 0.00 -0.22 0.00 0.00 33.01 30.54 1n63 s GLN 424 CO 0.33 0.01 1.95 -1.35 -0.25 0.00 0.00 175.29 175.97 1n63 h PRO 425 N 1.19 0.84 0.00 2.91 0.10 -1.95 -0.36 132.00 134.72 1n63 h PRO 425 Ca -0.47 -0.05 0.00 0.00 0.10 0.00 0.00 66.00 65.58 1n63 h PRO 425 Cb 1.19 -0.19 0.00 0.00 0.10 0.00 0.00 31.00 32.10 1n63 h PRO 425 CO 0.64 0.56 0.00 -0.85 0.10 0.00 0.00 178.00 178.45 1n63 n GLU 426 N -4.47 0.10 0.00 1.05 0.00 -1.26 -2.41 120.64 113.64 1n63 n GLU 426 Ca 0.11 0.38 0.13 0.00 0.00 0.00 0.00 57.16 57.78 1n63 n GLU 426 Cb 0.19 -1.71 0.47 0.00 0.00 0.00 0.00 31.44 30.40 1n63 n GLU 426 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1n63 n GLN 427 N -1.89 0.00 -3.02 3.44 6.02 -0.15 -4.88 117.38 116.90 1n63 n GLN 427 Ca 0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.67 1n63 n GLN 427 Cb 0.17 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.87 1n63 n GLN 427 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1n63 s PHE 428 N -3.00 3.45 0.11 1.08 0.40 -1.01 -3.07 117.98 115.95 1n63 s PHE 428 Ca 0.13 1.40 -0.31 0.00 -0.60 0.00 0.00 56.93 57.55 1n63 s PHE 428 Cb 0.18 -2.67 -0.09 0.00 0.51 0.00 0.00 43.02 40.96 1n63 s PHE 428 CO 0.60 0.11 1.56 -2.14 0.70 0.00 0.00 175.22 176.05 1n63 s PRO 429 N -2.71 4.23 -0.31 0.24 0.02 -1.26 -5.02 135.00 130.18 1n63 s PRO 429 Ca 0.53 2.28 -0.10 0.00 0.02 0.00 0.00 61.00 63.74 1n63 s PRO 429 Cb -0.12 -3.36 -0.01 0.00 0.02 0.00 0.00 34.50 31.03 1n63 s PRO 429 CO 0.18 -0.63 0.16 -0.47 -0.33 0.00 0.00 177.00 175.91 1n63 s TYR 430 N 1.77 3.19 -0.44 6.54 6.14 -0.74 -4.89 117.35 128.91 1n63 s TYR 430 Ca 0.70 -0.52 -0.29 0.00 0.64 0.00 0.00 57.07 57.60 1n63 s TYR 430 Cb -0.41 -2.37 0.03 0.00 0.42 0.00 0.00 41.96 39.63 1n63 s TYR 430 CO 0.31 -0.44 1.10 1.41 0.64 0.00 0.00 175.55 178.57 1n63 s MET 431 N 1.63 3.78 0.68 4.97 -2.45 -1.26 -0.91 119.30 125.74 1n63 s MET 431 Ca 0.05 0.63 -0.11 0.00 -1.25 0.00 0.00 55.69 55.01 1n63 s MET 431 Cb -0.17 -3.87 -0.00 0.00 1.25 0.00 0.00 34.83 32.04 1n63 s MET 431 CO 0.07 -1.26 1.07 0.00 1.05 0.00 0.00 175.02 175.95 1n63 s ALA 432 N 4.21 2.92 -2.00 4.11 0.00 0.01 -4.95 121.76 126.07 1n63 s ALA 432 Ca 0.46 -0.24 0.26 0.00 0.00 0.00 0.00 51.96 52.44 1n63 s ALA 432 Cb -0.08 -3.05 1.55 0.00 0.00 0.00 0.00 23.12 21.53 1n63 s ALA 432 CO 0.28 -1.02 1.98 -0.35 0.00 0.00 0.00 175.76 176.64 1n63 n PRO 433 N -2.95 0.97 -0.18 0.00 -0.04 -1.26 -1.79 135.00 129.74 1n63 n PRO 433 Ca 0.07 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.58 1n63 n PRO 433 Cb 0.56 -1.42 0.14 0.00 -0.04 0.00 0.00 33.50 32.74 1n63 n PRO 433 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1n63 n LEU 434 N -0.92 2.87 0.00 1.53 4.77 -1.26 -4.42 117.00 119.56 1n63 n LEU 434 Ca 0.19 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.88 1n63 n LEU 434 Cb 0.09 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1n63 n LEU 434 CO 0.15 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1n63 n GLY 435 N -0.08 2.06 3.79 -0.72 0.00 -0.74 -4.80 105.19 104.70 1n63 n GLY 435 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1n63 n GLY 435 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n63 s TRP 436 N -2.18 3.81 -0.46 1.61 0.52 -1.26 -4.83 118.94 116.15 1n63 s TRP 436 Ca 0.00 1.52 -0.09 0.00 0.02 0.00 0.00 56.10 57.55 1n63 s TRP 436 Cb 0.00 -2.69 0.11 0.00 -1.15 0.00 0.00 33.47 29.74 1n63 s TRP 436 CO 0.00 0.47 0.33 -2.00 0.02 0.00 0.00 176.95 175.77 1n63 s GLU 437 N -1.41 2.52 0.28 4.98 2.12 -1.26 -0.81 118.70 125.12 1n63 s GLU 437 Ca 0.37 -1.70 -0.30 0.00 0.36 0.00 0.00 54.97 53.71 1n63 s GLU 437 Cb -0.21 -3.91 -0.10 0.00 0.26 0.00 0.00 34.13 30.17 1n63 s GLU 437 CO 0.24 -1.15 1.40 0.71 -0.54 0.00 0.00 175.26 175.92 1n63 s TYR 438 N 1.38 3.01 -0.08 5.30 1.51 -0.09 -4.77 117.35 123.61 1n63 s TYR 438 Ca 0.05 1.15 -0.27 0.00 -1.01 0.00 0.00 57.07 57.00 1n63 s TYR 438 Cb -0.26 -3.78 -0.24 0.00 -0.11 0.00 0.00 41.96 37.57 1n63 s TYR 438 CO -0.00 -2.42 0.96 0.38 -1.11 0.00 0.00 175.55 173.36 1n63 h ASP 439 N 4.49 0.09 -4.80 2.29 2.03 -1.89 -1.97 116.42 116.66 1n63 h ASP 439 Ca -0.47 -0.82 0.00 0.00 -0.73 0.00 0.00 57.03 55.02 1n63 h ASP 439 Cb 1.22 -0.03 -0.17 0.00 -0.83 0.00 0.00 39.33 39.52 1n63 h ASP 439 CO 0.74 0.90 0.31 -0.94 -1.03 0.00 0.00 179.24 179.21 1n63 s SER 440 N -6.17 -0.53 -0.29 4.15 1.04 -1.26 -4.16 113.70 106.48 1n63 s SER 440 Ca -0.17 0.32 -0.25 0.00 0.48 0.00 0.00 55.95 56.33 1n63 s SER 440 Cb -0.01 0.49 0.17 0.00 0.10 0.00 0.00 66.02 66.78 1n63 s SER 440 CO 0.71 -0.68 1.32 -0.83 0.98 0.00 0.00 173.24 174.74 1n63 s GLY 441 N -1.88 0.20 -0.57 7.32 0.00 -1.26 -4.85 107.32 106.28 1n63 s GLY 441 Ca -0.03 3.26 0.05 0.00 0.00 0.00 0.00 44.72 48.00 1n63 s GLY 441 CO -0.02 1.90 0.48 -2.01 0.00 0.00 0.00 173.10 173.45 1n63 n ASN 442 N 1.76 1.68 -0.05 1.64 4.05 -1.26 -4.15 115.26 118.92 1n63 n ASN 442 Ca -0.11 -2.91 -0.13 0.00 0.45 0.00 0.00 54.58 51.88 1n63 n ASN 442 Cb 0.57 -0.67 -0.07 0.00 1.23 0.00 0.00 39.78 40.83 1n63 n ASN 442 CO 0.00 0.00 0.00 1.88 -3.05 0.00 0.00 177.26 176.09 1n63 h TYR 443 N 5.19 0.33 -0.91 1.20 0.05 -1.95 -2.95 116.97 117.93 1n63 h TYR 443 Ca 0.19 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 58.88 1n63 h TYR 443 Cb 0.81 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.43 1n63 h TYR 443 CO 0.52 0.67 0.60 -1.35 -1.05 0.00 0.00 178.16 177.54 1n63 h PRO 444 N -0.10 1.20 -0.28 4.88 0.11 -1.94 -0.20 132.00 135.66 1n63 h PRO 444 Ca 0.02 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1n63 h PRO 444 Cb 0.60 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1n63 h PRO 444 CO 0.03 0.80 0.02 1.25 -0.21 0.00 0.00 178.00 179.88 1n63 h LEU 445 N 1.23 0.46 -0.60 2.35 7.12 -2.00 -1.25 115.31 122.62 1n63 h LEU 445 Ca 0.33 -0.29 -0.12 0.00 0.13 0.00 0.00 57.88 57.94 1n63 h LEU 445 Cb -0.14 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 39.85 1n63 h LEU 445 CO -0.07 0.64 -0.18 0.00 -0.13 0.00 0.00 178.44 178.69 1n63 h ALA 446 N 0.85 0.80 -0.45 1.25 0.00 -1.28 -1.06 119.26 119.36 1n63 h ALA 446 Ca 0.08 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1n63 h ALA 446 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1n63 h ALA 446 CO 0.01 0.66 0.16 1.98 0.00 0.00 0.00 179.25 182.05 1n63 h MET 447 N 0.80 0.69 -0.64 0.00 1.85 -0.94 -0.44 114.93 116.24 1n63 h MET 447 Ca 0.11 -0.14 -0.02 0.00 -0.61 0.00 0.00 59.70 59.04 1n63 h MET 447 Cb 0.73 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 32.62 1n63 h MET 447 CO 0.06 0.65 0.31 -0.22 -0.40 0.00 0.00 176.91 177.30 1n63 h LYS 448 N 0.58 0.93 -0.58 0.39 3.64 -1.09 -0.08 116.57 120.37 1n63 h LYS 448 Ca 0.15 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1n63 h LYS 448 Cb 0.24 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1n63 h LYS 448 CO -0.01 0.74 0.26 -0.22 -2.27 0.00 0.00 179.45 177.95 1n63 h LYS 449 N 0.89 0.84 -0.10 1.90 3.64 -0.89 -0.42 116.57 122.43 1n63 h LYS 449 Ca 0.22 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1n63 h LYS 449 Cb 0.12 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1n63 h LYS 449 CO -0.03 0.70 0.03 0.00 -2.27 0.00 0.00 179.45 177.88 1n63 h ALA 450 N 1.10 0.13 -0.70 5.00 0.00 -0.88 -1.49 119.26 122.42 1n63 h ALA 450 Ca 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1n63 h ALA 450 Cb 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1n63 h ALA 450 CO -0.02 -0.26 0.27 0.52 0.00 0.00 0.00 179.25 179.76 1n63 h MET 451 N -0.02 1.04 -0.23 0.00 2.86 -0.82 -1.57 114.93 116.19 1n63 h MET 451 Ca 0.03 -0.18 -0.16 0.00 -2.06 0.00 0.00 59.70 57.33 1n63 h MET 451 Cb 0.21 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1n63 h MET 451 CO -0.00 0.85 -0.51 -0.44 1.06 0.00 0.00 176.91 177.87 1n63 h ASP 452 N 1.02 0.71 -0.33 1.22 3.32 -0.97 -0.73 116.42 120.65 1n63 h ASP 452 Ca 0.24 -0.36 -0.11 0.00 0.02 0.00 0.00 57.03 56.81 1n63 h ASP 452 Cb 0.21 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1n63 h ASP 452 CO -0.02 1.09 -0.24 0.74 -1.72 0.00 0.00 179.24 179.09 1n63 h THR 453 N 0.51 1.29 -0.00 0.35 2.02 -0.70 -3.02 112.91 113.35 1n63 h THR 453 Ca 0.02 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.81 1n63 h THR 453 Cb 1.06 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1n63 h THR 453 CO 0.10 0.45 -0.17 1.33 0.37 0.00 0.00 175.52 177.60 1n63 n VAL 454 N -4.26 0.00 -2.70 3.16 0.24 -0.64 -4.95 118.33 109.17 1n63 n VAL 454 Ca -0.03 -0.01 -0.09 0.00 -2.04 0.00 0.00 64.34 62.17 1n63 n VAL 454 Cb 0.45 -0.19 0.05 0.00 -1.47 0.00 0.00 33.84 32.67 1n63 n VAL 454 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n63 n GLY 455 N 1.45 -0.10 0.15 7.63 0.00 -0.54 -4.77 105.19 109.00 1n63 n GLY 455 Ca 0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1n63 n GLY 455 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1n63 h TYR 456 N -0.92 -0.27 -0.31 1.61 3.20 -1.48 -0.30 116.97 118.50 1n63 h TYR 456 Ca -0.34 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.50 1n63 h TYR 456 Cb 1.19 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.56 1n63 h TYR 456 CO 0.22 -0.16 0.02 0.45 -1.64 0.00 0.00 178.16 177.05 1n63 h HIS 457 N -0.18 0.48 -0.26 -3.82 3.86 -1.92 -1.69 115.15 111.62 1n63 h HIS 457 Ca 0.04 -0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 1n63 h HIS 457 Cb 0.23 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1n63 h HIS 457 CO -0.17 0.47 -0.37 1.96 0.86 0.00 0.00 177.93 180.68 1n63 h GLN 458 N 0.46 0.60 -0.73 2.45 4.20 -1.79 -2.33 115.11 117.97 1n63 h GLN 458 Ca 0.10 -0.29 0.04 0.00 0.06 0.00 0.00 58.65 58.56 1n63 h GLN 458 Cb 0.27 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 1n63 h GLN 458 CO 0.01 0.88 0.44 -0.07 -0.67 0.00 0.00 178.83 179.42 1n63 h LEU 459 N 0.50 0.71 -0.96 1.46 3.38 -0.32 -0.99 115.31 119.09 1n63 h LEU 459 Ca 0.05 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1n63 h LEU 459 Cb 0.87 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1n63 h LEU 459 CO 0.08 0.47 0.26 0.03 0.09 0.00 0.00 178.44 179.37 1n63 h ARG 460 N 0.84 1.01 -0.47 1.13 2.47 -0.99 0.40 114.38 118.78 1n63 h ARG 460 Ca 0.31 -0.18 -0.13 0.00 -1.26 0.00 0.00 59.98 58.72 1n63 h ARG 460 Cb 0.09 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 1n63 h ARG 460 CO -0.14 0.84 -0.20 0.00 0.56 0.00 0.00 179.97 181.03 1n63 h ALA 461 N 1.29 0.65 -0.90 0.04 0.00 -1.05 -1.11 119.26 118.19 1n63 h ALA 461 Ca 0.23 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1n63 h ALA 461 Cb 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1n63 h ALA 461 CO -0.02 0.63 0.59 1.49 0.00 0.00 0.00 179.25 181.94 1n63 h GLU 462 N 0.81 1.20 -0.45 0.00 4.81 -0.88 -1.71 114.58 118.36 1n63 h GLU 462 Ca 0.11 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1n63 h GLU 462 Cb 0.77 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1n63 h GLU 462 CO 0.06 0.81 0.09 0.37 -0.73 0.00 0.00 179.01 179.61 1n63 h GLN 463 N 1.23 0.73 -0.59 1.92 4.15 -0.78 -0.82 115.11 120.95 1n63 h GLN 463 Ca 0.33 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1n63 h GLN 463 Cb -0.12 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.45 1n63 h GLN 463 CO -0.07 0.74 0.32 -0.22 -1.93 0.00 0.00 178.83 177.68 1n63 h LYS 464 N 0.59 0.81 -0.44 1.69 3.64 -0.91 -0.56 116.57 121.40 1n63 h LYS 464 Ca 0.14 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1n63 h LYS 464 Cb 0.35 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1n63 h LYS 464 CO 0.01 0.62 0.09 0.00 -2.27 0.00 0.00 179.45 177.90 1n63 h ALA 465 N 1.15 1.35 -0.15 5.00 0.00 -1.07 -1.76 119.26 123.79 1n63 h ALA 465 Ca 0.21 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1n63 h ALA 465 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1n63 h ALA 465 CO -0.03 0.46 -0.54 -0.22 0.00 0.00 0.00 179.25 178.92 1n63 h LYS 466 N 0.64 0.42 -0.67 0.00 3.64 -0.49 -1.01 116.57 119.10 1n63 h LYS 466 Ca 0.14 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 1n63 h LYS 466 Cb 0.26 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1n63 h LYS 466 CO -0.00 0.85 0.21 1.96 -2.27 0.00 0.00 179.45 180.20 1n63 h GLN 467 N 0.33 1.04 -0.70 1.90 4.20 -0.83 -0.49 115.11 120.57 1n63 h GLN 467 Ca 0.01 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.46 1n63 h GLN 467 Cb 1.05 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.65 1n63 h GLN 467 CO 0.09 0.91 0.29 0.93 -0.67 0.00 0.00 178.83 180.39 1n63 h GLU 468 N 0.98 1.04 -0.77 1.46 5.08 -1.04 -1.45 114.58 119.89 1n63 h GLU 468 Ca 0.22 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1n63 h GLU 468 Cb 0.30 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1n63 h GLU 468 CO -0.01 0.85 0.38 0.00 -1.00 0.00 0.00 179.01 179.24 1n63 h ALA 469 N 1.14 1.23 -0.69 3.43 0.00 -0.85 -1.99 119.26 121.53 1n63 h ALA 469 Ca 0.24 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1n63 h ALA 469 Cb 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1n63 h ALA 469 CO -0.02 0.60 0.21 0.35 0.00 0.00 0.00 179.25 180.39 1n63 h PHE 470 N 1.09 1.08 0.00 0.00 3.57 -0.41 -1.02 116.94 121.25 1n63 h PHE 470 Ca 0.27 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1n63 h PHE 470 Cb 0.09 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1n63 h PHE 470 CO 0.01 0.86 0.00 0.87 -2.23 0.00 0.00 178.31 177.82 1n63 h LYS 471 N 1.01 0.00 -0.02 1.11 1.79 -0.80 -1.94 116.57 117.73 1n63 h LYS 471 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1n63 h LYS 471 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1n63 h LYS 471 CO -0.01 0.00 -0.19 0.54 -1.08 0.00 0.00 179.45 178.71 1n63 n ARG 472 N -2.81 1.51 -0.84 3.15 1.74 -0.58 -4.92 116.66 113.91 1n63 n ARG 472 Ca 0.02 -1.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.00 1n63 n ARG 472 Cb 0.31 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1n63 n ARG 472 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n63 n GLY 473 N 1.32 0.50 0.14 -0.13 0.00 -0.73 -4.95 105.19 101.34 1n63 n GLY 473 Ca 0.14 -0.79 0.11 0.00 0.00 0.00 0.00 46.02 45.48 1n63 n GLY 473 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n63 n GLU 474 N -2.84 0.38 -3.66 1.61 1.02 -0.49 -4.94 120.64 111.73 1n63 n GLU 474 Ca 0.00 -0.29 -0.15 0.00 -0.02 0.00 0.00 57.16 56.70 1n63 n GLU 474 Cb 0.00 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 29.85 1n63 n GLU 474 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1n63 s THR 475 N -2.82 0.03 -1.88 2.62 -1.32 -1.25 -4.98 115.64 106.05 1n63 s THR 475 Ca 0.13 -0.27 0.18 0.00 -1.21 0.00 0.00 61.69 60.52 1n63 s THR 475 Cb 0.17 -0.78 0.34 0.00 -1.51 0.00 0.00 72.50 70.72 1n63 s THR 475 CO 0.72 -0.15 1.26 0.54 -2.21 0.00 0.00 174.62 174.78 1n63 n ARG 476 N 1.12 2.21 -3.94 7.08 5.12 -1.26 -4.57 116.66 122.42 1n63 n ARG 476 Ca -0.20 -2.03 -0.34 0.00 -1.93 0.00 0.00 57.85 53.35 1n63 n ARG 476 Cb 0.56 -1.40 -0.05 0.00 -1.16 0.00 0.00 32.46 30.41 1n63 n ARG 476 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1n63 s GLU 477 N -1.24 3.37 0.11 5.56 2.02 -1.26 -1.88 118.70 125.37 1n63 s GLU 477 Ca 0.30 -0.31 0.08 0.00 0.02 0.00 0.00 54.97 55.06 1n63 s GLU 477 Cb 0.18 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 1n63 s GLU 477 CO 0.25 0.69 -0.21 0.96 0.02 0.00 0.00 175.26 176.97 1n63 s ILE 478 N -1.24 1.71 -0.12 -1.63 -4.36 -0.28 -4.90 121.20 110.39 1n63 s ILE 478 Ca 0.24 -1.57 0.00 0.00 -0.26 0.00 0.00 60.65 59.06 1n63 s ILE 478 Cb -0.12 -1.57 -0.01 0.00 1.25 0.00 0.00 42.46 42.00 1n63 s ILE 478 CO 0.15 -0.08 -0.14 -0.32 0.24 0.00 0.00 174.94 174.78 1n63 s MET 479 N -1.97 3.32 0.07 0.37 -2.45 -1.26 -0.73 119.30 116.64 1n63 s MET 479 Ca 0.07 -0.70 0.09 0.00 -1.25 0.00 0.00 55.69 53.90 1n63 s MET 479 Cb -0.10 -2.59 -0.03 0.00 1.25 0.00 0.00 34.83 33.36 1n63 s MET 479 CO 0.04 0.23 -0.24 0.20 1.05 0.00 0.00 175.02 176.31 1n63 s GLY 480 N 0.29 1.51 -0.31 2.11 0.00 0.36 -4.31 107.32 106.98 1n63 s GLY 480 Ca -0.11 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.32 1n63 s GLY 480 CO 0.06 -1.21 -0.00 -0.42 0.00 0.00 0.00 173.10 171.52 1n63 s ILE 481 N -0.91 2.71 -0.06 0.90 1.01 -1.26 -1.08 121.20 122.51 1n63 s ILE 481 Ca 0.13 -1.64 -0.17 0.00 0.00 0.00 0.00 60.65 58.97 1n63 s ILE 481 Cb -0.10 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 1n63 s ILE 481 CO 0.04 -0.21 0.45 -0.83 0.00 0.00 0.00 174.94 174.40 1n63 s GLY 482 N 1.24 2.44 -0.06 6.18 0.00 0.77 -4.45 107.32 113.43 1n63 s GLY 482 Ca -0.03 -0.19 0.05 0.00 0.00 0.00 0.00 44.72 44.55 1n63 s GLY 482 CO -0.03 0.50 -0.20 -0.42 0.00 0.00 0.00 173.10 172.95 1n63 s ILE 483 N -0.16 1.68 -0.20 0.90 1.01 -1.26 -0.80 121.20 122.36 1n63 s ILE 483 Ca 0.25 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 1n63 s ILE 483 Cb -0.16 -1.44 0.07 0.00 0.01 0.00 0.00 42.46 40.93 1n63 s ILE 483 CO 0.12 0.47 0.07 -0.55 0.00 0.00 0.00 174.94 175.06 1n63 s SER 484 N 0.11 2.83 -0.30 3.58 0.15 -0.22 -4.56 113.70 115.28 1n63 s SER 484 Ca -0.08 -0.84 -0.05 0.00 0.70 0.00 0.00 55.95 55.68 1n63 s SER 484 Cb -0.14 -0.44 0.03 0.00 -1.71 0.00 0.00 66.02 63.76 1n63 s SER 484 CO 0.04 -0.35 0.04 0.12 1.20 0.00 0.00 173.24 174.30 1n63 s PHE 485 N 1.98 3.18 0.14 3.44 2.19 -1.26 -0.54 117.98 127.12 1n63 s PHE 485 Ca 0.02 -1.38 0.07 0.00 0.33 0.00 0.00 56.93 55.97 1n63 s PHE 485 Cb -0.17 -2.20 -0.04 0.00 -1.31 0.00 0.00 43.02 39.31 1n63 s PHE 485 CO -0.13 -0.69 -0.16 -0.59 1.83 0.00 0.00 175.22 175.48 1n63 s PHE 486 N 1.39 1.61 -0.21 10.12 -0.12 -0.54 -4.71 117.98 125.52 1n63 s PHE 486 Ca -0.01 -0.52 0.01 0.00 -0.05 0.00 0.00 56.93 56.37 1n63 s PHE 486 Cb -0.18 -0.82 0.03 0.00 -0.63 0.00 0.00 43.02 41.42 1n63 s PHE 486 CO 0.01 0.24 -0.15 0.99 -0.05 0.00 0.00 175.22 176.25 1n63 s THR 487 N -2.14 2.25 0.58 -4.49 2.01 -1.26 -1.67 115.64 110.90 1n63 s THR 487 Ca 0.13 -1.12 -0.05 0.00 0.31 0.00 0.00 61.69 60.96 1n63 s THR 487 Cb -0.05 -2.08 0.01 0.00 0.01 0.00 0.00 72.50 70.39 1n63 s THR 487 CO 0.05 0.34 0.87 -1.61 -0.69 0.00 0.00 174.62 173.57 1n63 s GLU 488 N 1.25 2.87 -0.16 4.92 0.41 0.20 -4.93 118.70 123.25 1n63 s GLU 488 Ca 0.01 -0.13 -0.05 0.00 -0.41 0.00 0.00 54.97 54.39 1n63 s GLU 488 Cb -0.15 -2.32 0.06 0.00 -1.78 0.00 0.00 34.13 29.94 1n63 s GLU 488 CO -0.09 -0.68 0.11 -1.50 -0.49 0.00 0.00 175.26 172.61 1n63 s ILE 489 N -2.93 -0.14 0.03 -1.63 2.07 -1.26 -3.98 121.20 113.36 1n63 s ILE 489 Ca 0.54 -0.09 -0.02 0.00 -1.41 0.00 0.00 60.65 59.67 1n63 s ILE 489 Cb -0.10 -0.54 -0.02 0.00 0.13 0.00 0.00 42.46 41.92 1n63 s ILE 489 CO 0.44 -0.22 0.01 0.68 -1.91 0.00 0.00 174.94 173.94 1n63 s VAL 490 N 2.18 0.14 0.00 4.00 -7.23 0.10 -4.95 120.40 114.64 1n63 s VAL 490 Ca 0.03 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 1n63 s VAL 490 Cb -0.15 -0.75 0.00 0.00 0.56 0.00 0.00 36.38 36.03 1n63 s VAL 490 CO -0.09 -0.65 0.00 0.61 -0.31 0.00 0.00 175.10 174.66 1n63 n GLY 491 N 1.00 1.62 3.69 2.32 0.00 -1.16 -0.76 105.19 111.90 1n63 n GLY 491 Ca -0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 1n63 n GLY 491 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 n ALA 492 N -0.33 1.97 0.00 4.61 0.00 -1.26 -4.70 120.51 120.80 1n63 n ALA 492 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1n63 n ALA 492 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.03 1n63 n ALA 492 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n63 n GLY 493 N 3.59 -0.97 3.70 0.00 0.00 -0.41 -4.76 105.19 106.34 1n63 n GLY 493 Ca 0.16 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 1n63 n GLY 493 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n63 n PRO 494 N -0.03 1.90 0.31 1.61 -0.02 -1.24 -4.10 135.00 133.43 1n63 n PRO 494 Ca 0.00 0.68 0.20 0.00 -2.02 0.00 0.00 63.50 62.35 1n63 n PRO 494 Cb 0.00 -2.36 0.96 0.00 -0.02 0.00 0.00 33.50 32.08 1n63 n PRO 494 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1n63 h SER 495 N 2.08 0.00 -1.00 2.55 4.64 -1.80 -0.58 113.55 119.44 1n63 h SER 495 Ca -0.47 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1n63 h SER 495 Cb 1.30 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.34 1n63 h SER 495 CO 0.60 0.01 0.66 0.50 -0.87 0.00 0.00 176.83 177.73 1n63 h LYS 496 N 0.00 1.30 0.00 4.77 3.64 -1.94 -3.36 116.57 120.98 1n63 h LYS 496 Ca -0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1n63 h LYS 496 Cb 0.24 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1n63 h LYS 496 CO 0.00 0.86 0.00 0.27 -2.27 0.00 0.00 179.45 178.31 1n63 n ASN 497 N -4.40 0.16 -4.14 4.20 0.23 -0.95 -5.04 115.26 105.33 1n63 n ASN 497 Ca 0.12 -1.02 -0.33 0.00 -0.53 0.00 0.00 54.58 52.81 1n63 n ASN 497 Cb 0.02 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.57 1n63 n ASN 497 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n63 s ASP 499 N 1.28 -0.17 -0.36 0.00 -4.77 -1.26 -1.69 116.67 109.69 1n63 s ASP 499 Ca 0.02 0.02 -0.06 0.00 -3.30 0.00 0.00 52.55 49.23 1n63 s ASP 499 Cb -0.15 0.32 0.06 0.00 -1.09 0.00 0.00 42.92 42.07 1n63 s ASP 499 CO -0.10 -0.49 0.13 -0.63 0.70 0.00 0.00 175.17 174.78 1n63 s ILE 500 N -1.64 3.67 -1.44 2.11 -1.09 -0.12 -0.86 121.20 121.84 1n63 s ILE 500 Ca -0.11 -1.36 -0.04 0.00 -2.23 0.00 0.00 60.65 56.90 1n63 s ILE 500 Cb -0.04 -3.18 0.03 0.00 -1.58 0.00 0.00 42.46 37.69 1n63 s ILE 500 CO 0.02 -0.31 0.57 0.18 -1.23 0.00 0.00 174.94 174.18 1n63 n LEU 501 N 4.77 -2.35 0.00 2.97 4.77 -1.26 -1.14 117.00 124.76 1n63 n LEU 501 Ca -0.11 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 1n63 n LEU 501 Cb 0.44 -2.32 0.00 0.00 -2.33 0.00 0.00 43.42 39.21 1n63 n LEU 501 CO 0.32 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1n63 n GLY 502 N -1.81 1.81 3.63 -0.72 0.00 -1.26 -5.03 105.19 101.82 1n63 n GLY 502 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 1n63 n GLY 502 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n63 s VAL 503 N -2.81 5.10 0.65 1.61 1.01 -0.29 -5.02 120.40 120.64 1n63 s VAL 503 Ca 0.00 0.85 -0.18 0.00 0.00 0.00 0.00 61.98 62.65 1n63 s VAL 503 Cb 0.00 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1n63 s VAL 503 CO 0.00 0.13 1.26 -0.44 0.00 0.00 0.00 175.10 176.05 1n63 s SER 504 N 1.43 4.66 -1.17 3.32 0.01 -1.26 -0.94 113.70 119.74 1n63 s SER 504 Ca 0.21 2.54 -0.04 0.00 1.31 0.00 0.00 55.95 59.97 1n63 s SER 504 Cb -0.15 -2.61 0.19 0.00 0.21 0.00 0.00 66.02 63.66 1n63 s SER 504 CO 0.09 -1.96 2.20 0.23 0.41 0.00 0.00 173.24 174.21 1n63 n MET 505 N -1.96 4.77 -2.00 12.44 0.00 -0.68 -4.81 117.12 124.87 1n63 n MET 505 Ca 0.15 -3.84 -0.29 0.00 0.00 0.00 0.00 57.70 53.72 1n63 n MET 505 Cb 0.49 -2.54 0.13 0.00 0.00 0.00 0.00 33.22 31.29 1n63 n MET 505 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1n63 s PHE 506 N -2.37 2.27 0.15 2.03 -0.12 -1.26 -1.29 117.98 117.39 1n63 s PHE 506 Ca 0.49 0.46 0.02 0.00 -0.05 0.00 0.00 56.93 57.85 1n63 s PHE 506 Cb 0.20 -3.70 -0.01 0.00 -0.63 0.00 0.00 43.02 38.89 1n63 s PHE 506 CO -0.12 -2.10 0.16 -3.47 -0.05 0.00 0.00 175.22 169.63 1n63 n ASP 507 N -3.43 -0.41 -3.69 1.98 -0.08 -0.98 -3.95 116.55 105.99 1n63 n ASP 507 Ca 0.12 -1.93 -0.11 0.00 -1.51 0.00 0.00 54.79 51.36 1n63 n ASP 507 Cb 0.60 0.88 -0.06 0.00 2.34 0.00 0.00 41.12 44.88 1n63 n ASP 507 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1n63 s SER 508 N -2.01 -0.16 -0.06 1.67 1.04 -1.26 -0.47 113.70 112.44 1n63 s SER 508 Ca 0.16 -0.32 -0.08 0.00 0.48 0.00 0.00 55.95 56.18 1n63 s SER 508 Cb 0.00 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.57 1n63 s SER 508 CO 0.11 -0.78 0.22 0.00 0.98 0.00 0.00 173.24 173.77 1n63 s ALA 509 N -3.49 -0.53 -0.07 5.32 0.00 -0.57 -2.05 121.76 120.36 1n63 s ALA 509 Ca 0.01 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.45 1n63 s ALA 509 Cb 0.02 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1n63 s ALA 509 CO -0.10 -0.14 -0.12 -2.00 0.00 0.00 0.00 175.76 173.40 1n63 s GLU 510 N -0.31 1.68 -0.09 0.00 2.12 0.12 -1.10 118.70 121.12 1n63 s GLU 510 Ca -0.04 -0.40 0.01 0.00 0.36 0.00 0.00 54.97 54.90 1n63 s GLU 510 Cb -0.03 -1.40 0.02 0.00 0.26 0.00 0.00 34.13 32.97 1n63 s GLU 510 CO 0.01 0.01 -0.12 0.42 -0.54 0.00 0.00 175.26 175.05 1n63 s ILE 511 N 0.70 1.19 -0.08 -3.70 1.01 0.23 -1.20 121.20 119.35 1n63 s ILE 511 Ca -0.14 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.07 1n63 s ILE 511 Cb -0.16 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.21 1n63 s ILE 511 CO 0.03 0.38 -0.16 -0.60 0.00 0.00 0.00 174.94 174.59 1n63 s ARG 512 N 0.99 2.14 -0.22 2.79 3.52 -0.00 -1.06 118.95 127.10 1n63 s ARG 512 Ca -0.08 -0.56 -0.10 0.00 -0.13 0.00 0.00 55.73 54.87 1n63 s ARG 512 Cb -0.15 -1.73 -0.05 0.00 -1.56 0.00 0.00 34.95 31.46 1n63 s ARG 512 CO -0.00 0.04 0.13 0.42 -0.81 0.00 0.00 175.30 175.07 1n63 s ILE 513 N 0.67 5.22 0.62 4.11 1.01 -0.26 -1.50 121.20 131.07 1n63 s ILE 513 Ca -0.14 0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 1n63 s ILE 513 Cb -0.16 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 1n63 s ILE 513 CO 0.04 0.40 0.99 -1.00 0.00 0.00 0.00 174.94 175.37 1n63 s HIS 514 N 0.71 3.49 0.36 3.97 3.76 0.49 -4.50 115.29 123.57 1n63 s HIS 514 Ca 0.07 1.06 0.09 0.00 -0.15 0.00 0.00 55.06 56.12 1n63 s HIS 514 Cb -0.12 -2.75 0.82 0.00 1.11 0.00 0.00 32.58 31.63 1n63 s HIS 514 CO 0.01 -0.77 1.90 -1.35 -0.85 0.00 0.00 174.74 173.68 1n63 h PRO 515 N -0.30 0.66 -0.22 8.40 0.11 -1.87 -1.03 132.00 137.75 1n63 h PRO 515 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1n63 h PRO 515 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1n63 h PRO 515 CO 0.62 0.44 0.00 0.25 -0.21 0.00 0.00 178.00 179.10 1n63 n THR 516 N -4.52 0.28 0.00 -1.15 -2.24 -1.26 -3.29 114.28 102.09 1n63 n THR 516 Ca 0.15 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1n63 n THR 516 Cb 0.40 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1n63 n THR 516 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n63 n GLY 517 N 1.16 0.53 3.93 3.38 0.00 -0.39 -5.03 105.19 108.77 1n63 n GLY 517 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1n63 n GLY 517 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n63 s SER 518 N -2.74 4.04 -0.04 1.61 1.04 -1.26 -4.79 113.70 111.56 1n63 s SER 518 Ca 0.00 0.34 -0.03 0.00 0.48 0.00 0.00 55.95 56.74 1n63 s SER 518 Cb 0.00 -0.69 0.01 0.00 0.10 0.00 0.00 66.02 65.44 1n63 s SER 518 CO 0.00 -2.14 0.10 -0.69 0.98 0.00 0.00 173.24 171.50 1n63 s VAL 519 N -3.55 -0.01 -0.11 5.02 1.01 -0.11 -0.38 120.40 122.28 1n63 s VAL 519 Ca 0.67 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.68 1n63 s VAL 519 Cb -0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 1n63 s VAL 519 CO 0.49 0.01 -0.14 -0.51 0.00 0.00 0.00 175.10 174.95 1n63 s ILE 520 N 0.17 3.00 -0.00 2.22 1.10 -0.56 -0.57 121.20 126.56 1n63 s ILE 520 Ca -0.01 -0.69 0.01 0.00 -0.51 0.00 0.00 60.65 59.45 1n63 s ILE 520 Cb -0.02 -2.24 -0.00 0.00 0.15 0.00 0.00 42.46 40.35 1n63 s ILE 520 CO -0.00 0.54 -0.03 0.00 -2.11 0.00 0.00 174.94 173.33 1n63 s ALA 521 N 0.14 0.26 0.07 1.50 0.00 -0.07 -0.82 121.76 122.84 1n63 s ALA 521 Ca -0.07 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.78 1n63 s ALA 521 Cb -0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1n63 s ALA 521 CO 0.05 0.06 -0.09 1.03 0.00 0.00 0.00 175.76 176.81 1n63 s ARG 522 N -0.07 0.72 0.08 0.00 0.52 -0.34 -1.38 118.95 118.47 1n63 s ARG 522 Ca 0.01 -1.02 0.01 0.00 -0.52 0.00 0.00 55.73 54.22 1n63 s ARG 522 Cb -0.01 -0.42 -0.04 0.00 0.52 0.00 0.00 34.95 35.00 1n63 s ARG 522 CO -0.00 0.06 -0.06 -1.64 0.02 0.00 0.00 175.30 173.69 1n63 s MET 523 N -2.40 0.72 -0.00 3.54 -1.94 -1.10 -0.71 119.30 117.42 1n63 s MET 523 Ca -0.00 -1.22 0.10 0.00 -1.71 0.00 0.00 55.69 52.86 1n63 s MET 523 Cb -0.05 -0.09 0.28 0.00 2.01 0.00 0.00 34.83 36.98 1n63 s MET 523 CO -0.00 -0.04 1.23 0.41 -0.01 0.00 0.00 175.02 176.61 1n63 n GLY 524 N 0.21 0.50 3.17 -0.03 0.00 -0.87 -4.54 105.19 103.64 1n63 n GLY 524 Ca -0.14 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 1n63 n GLY 524 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n63 n THR 525 N 0.42 0.00 -3.39 2.61 -2.24 -1.26 -2.51 114.28 107.91 1n63 n THR 525 Ca 0.11 -1.36 -0.08 0.00 -2.27 0.00 0.00 64.05 60.45 1n63 n THR 525 Cb 0.27 -0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 67.54 1n63 n THR 525 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1n63 s LYS 526 N -4.48 0.36 0.50 -0.78 2.47 -1.26 -4.23 119.74 112.31 1n63 s LYS 526 Ca 0.53 0.67 -0.23 0.00 -1.56 0.00 0.00 55.97 55.37 1n63 s LYS 526 Cb -0.03 -0.25 -0.06 0.00 -1.46 0.00 0.00 37.83 36.03 1n63 s LYS 526 CO 0.35 -0.57 1.34 0.45 0.16 0.00 0.00 175.35 177.09 1n63 s SER 527 N 2.58 5.64 -0.19 1.43 0.15 -1.26 -4.40 113.70 117.65 1n63 s SER 527 Ca 0.11 2.73 0.16 0.00 0.70 0.00 0.00 55.95 59.65 1n63 s SER 527 Cb -0.15 -2.64 0.45 0.00 -1.71 0.00 0.00 66.02 61.97 1n63 s SER 527 CO -0.16 -1.32 1.18 0.00 1.20 0.00 0.00 173.24 174.15 1n63 n GLN 528 N -0.64 1.71 0.00 5.44 3.00 -1.26 -4.57 117.38 121.07 1n63 n GLN 528 Ca 0.08 -3.23 0.00 0.00 -0.01 0.00 0.00 57.00 53.84 1n63 n GLN 528 Cb 0.44 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 29.30 1n63 n GLN 528 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n63 n GLY 529 N -0.53 0.85 0.00 1.08 0.00 -1.26 -3.21 105.19 102.12 1n63 n GLY 529 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1n63 n GLY 529 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n63 n GLN 530 N 0.00 0.95 -0.72 1.61 3.00 -1.26 -4.90 117.38 116.07 1n63 n GLN 530 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1n63 n GLN 530 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 30.24 28.85 1n63 n GLN 530 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n63 n GLY 531 N 0.81 0.57 0.31 1.08 0.00 -1.26 -4.97 105.19 101.74 1n63 n GLY 531 Ca 0.18 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.61 1n63 n GLY 531 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1n63 h HIS 532 N 0.00 0.89 -0.03 1.61 3.86 -1.98 0.02 115.15 119.53 1n63 h HIS 532 Ca 0.00 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1n63 h HIS 532 Cb 0.00 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.19 1n63 h HIS 532 CO 0.00 0.36 0.04 0.93 0.86 0.00 0.00 177.93 180.12 1n63 h GLU 533 N 0.81 0.00 0.00 2.45 5.08 -1.93 -1.23 114.58 119.77 1n63 h GLU 533 Ca 0.42 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.57 1n63 h GLU 533 Cb 0.39 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1n63 h GLU 533 CO -0.26 0.00 -1.16 1.15 -1.00 0.00 0.00 179.01 177.74 1n63 h THR 534 N 0.00 0.83 0.08 1.13 2.02 -1.45 -3.42 112.91 112.09 1n63 h THR 534 Ca 0.02 -2.05 -0.26 0.00 0.77 0.00 0.00 66.41 64.89 1n63 h THR 534 Cb 0.10 1.99 0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1n63 h THR 534 CO -0.00 0.28 -1.12 0.71 0.37 0.00 0.00 175.52 175.76 1n63 h THR 535 N -1.00 1.45 -0.40 3.16 1.35 -0.85 -3.14 112.91 113.47 1n63 h THR 535 Ca -0.31 -2.77 -0.01 0.00 -0.55 0.00 0.00 66.41 62.77 1n63 h THR 535 Cb 1.21 2.72 -0.02 0.00 -1.73 0.00 0.00 68.15 70.33 1n63 h THR 535 CO -0.19 0.82 0.22 1.88 -0.25 0.00 0.00 175.52 178.00 1n63 h TYR 536 N 0.14 0.53 -0.06 4.73 0.05 -1.48 -1.69 116.97 119.18 1n63 h TYR 536 Ca -0.12 -0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.60 1n63 h TYR 536 Cb 1.80 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 39.36 1n63 h TYR 536 CO 0.07 0.37 -0.28 0.00 -1.05 0.00 0.00 178.16 177.27 1n63 h ALA 537 N 1.69 1.43 -0.37 3.88 0.00 -1.75 -2.47 119.26 121.68 1n63 h ALA 537 Ca 0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1n63 h ALA 537 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1n63 h ALA 537 CO -0.02 0.41 0.07 1.96 0.00 0.00 0.00 179.25 181.67 1n63 h GLN 538 N 0.09 0.56 -0.14 0.00 4.20 -1.27 0.70 115.11 119.25 1n63 h GLN 538 Ca 0.01 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1n63 h GLN 538 Cb 0.54 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1n63 h GLN 538 CO 0.04 0.53 -0.04 0.82 -0.67 0.00 0.00 178.83 179.50 1n63 h ILE 539 N 0.54 1.30 -0.63 2.54 2.04 -1.23 -2.34 117.51 119.72 1n63 h ILE 539 Ca 0.12 -1.02 -0.06 0.00 1.00 0.00 0.00 64.86 64.91 1n63 h ILE 539 Cb 0.24 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1n63 h ILE 539 CO -0.00 0.30 0.16 0.40 0.00 0.00 0.00 178.15 179.01 1n63 h ILE 540 N -0.03 1.25 -0.43 -0.67 2.04 -1.25 -2.19 117.51 116.23 1n63 h ILE 540 Ca 0.04 -0.91 0.06 0.00 1.00 0.00 0.00 64.86 65.05 1n63 h ILE 540 Cb 0.48 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 1n63 h ILE 540 CO 0.02 0.34 0.10 0.00 0.00 0.00 0.00 178.15 178.61 1n63 h ALA 541 N 1.05 0.47 -0.29 1.87 0.00 -0.74 -0.59 119.26 121.04 1n63 h ALA 541 Ca 0.20 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1n63 h ALA 541 Cb 0.34 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1n63 h ALA 541 CO 0.00 -0.30 -0.08 1.15 0.00 0.00 0.00 179.25 180.02 1n63 h THR 542 N 0.24 1.28 -0.73 0.00 2.02 -1.26 0.14 112.91 114.61 1n63 h THR 542 Ca 0.21 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1n63 h THR 542 Cb 0.24 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 1n63 h THR 542 CO -0.26 0.35 0.45 -0.33 0.37 0.00 0.00 175.52 176.11 1n63 h GLU 543 N 0.32 0.97 0.00 6.66 4.39 -0.94 -3.31 114.58 122.67 1n63 h GLU 543 Ca 0.07 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1n63 h GLU 543 Cb 0.56 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1n63 h GLU 543 CO 0.03 0.66 -0.61 1.28 -1.16 0.00 0.00 179.01 179.21 1n63 n LEU 544 N -4.40 0.29 -0.24 1.33 4.77 -0.27 -4.98 117.00 113.50 1n63 n LEU 544 Ca 0.08 -0.38 -0.03 0.00 -0.03 0.00 0.00 56.01 55.64 1n63 n LEU 544 Cb 0.05 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1n63 n LEU 544 CO 0.37 0.07 -0.03 0.61 -1.33 0.00 0.00 177.39 177.08 1n63 n GLY 545 N 1.39 0.53 3.67 -0.72 0.00 0.50 -4.73 105.19 105.82 1n63 n GLY 545 Ca 0.01 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 1n63 n GLY 545 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n63 s ILE 546 N -2.11 4.71 0.60 -0.61 1.01 -1.17 -4.79 121.20 118.83 1n63 s ILE 546 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.39 1n63 s ILE 546 Cb 0.00 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 1n63 s ILE 546 CO 0.00 0.51 1.21 -2.65 0.00 0.00 0.00 174.94 174.02 1n63 n PRO 547 N 3.04 1.21 -0.02 2.79 -0.02 -1.26 -4.15 135.00 136.59 1n63 n PRO 547 Ca -0.17 0.46 -0.01 0.00 -2.02 0.00 0.00 63.50 61.75 1n63 n PRO 547 Cb 0.53 -2.43 0.26 0.00 -0.02 0.00 0.00 33.50 31.84 1n63 n PRO 547 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n63 h ALA 548 N 0.78 1.28 0.00 3.55 0.00 -1.13 0.36 119.26 124.11 1n63 h ALA 548 Ca -0.50 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1n63 h ALA 548 Cb 1.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1n63 h ALA 548 CO 0.54 0.48 0.00 -0.25 0.00 0.00 0.00 179.25 180.02 1n63 n ASP 549 N -4.24 0.53 -0.53 0.00 8.00 -1.26 -1.92 116.55 117.12 1n63 n ASP 549 Ca 0.01 0.64 0.04 0.00 0.71 0.00 0.00 54.79 56.20 1n63 n ASP 549 Cb 0.28 -0.75 0.12 0.00 -0.02 0.00 0.00 41.12 40.75 1n63 n ASP 549 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1n63 n ASP 550 N -2.10 1.53 -4.10 -2.24 8.00 0.12 -4.83 116.55 112.93 1n63 n ASP 550 Ca 0.02 -2.02 -0.28 0.00 0.71 0.00 0.00 54.79 53.22 1n63 n ASP 550 Cb 0.20 -0.20 -0.17 0.00 -0.02 0.00 0.00 41.12 40.93 1n63 n ASP 550 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n63 s ILE 551 N -1.64 1.56 -0.18 0.53 1.01 -0.81 -0.93 121.20 120.74 1n63 s ILE 551 Ca 0.18 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 60.04 1n63 s ILE 551 Cb 0.10 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 1n63 s ILE 551 CO 0.12 0.45 0.09 -0.32 0.00 0.00 0.00 174.94 175.28 1n63 s MET 552 N 0.69 3.99 -0.12 2.79 -2.45 0.26 -4.98 119.30 119.48 1n63 s MET 552 Ca -0.13 -0.29 -0.02 0.00 -1.25 0.00 0.00 55.69 54.00 1n63 s MET 552 Cb -0.16 -3.27 -0.02 0.00 1.25 0.00 0.00 34.83 32.63 1n63 s MET 552 CO 0.03 0.32 -0.07 0.42 1.05 0.00 0.00 175.02 176.77 1n63 s ILE 553 N 0.25 3.62 0.05 10.11 -1.09 -1.26 -0.89 121.20 131.99 1n63 s ILE 553 Ca 0.06 -0.47 0.04 0.00 -2.23 0.00 0.00 60.65 58.05 1n63 s ILE 553 Cb -0.12 -2.54 -0.03 0.00 -1.58 0.00 0.00 42.46 38.20 1n63 s ILE 553 CO -0.00 0.53 -0.13 -1.61 -1.23 0.00 0.00 174.94 172.50 1n63 s GLU 554 N 0.04 0.79 -0.00 2.79 2.02 -0.48 -4.86 118.70 118.99 1n63 s GLU 554 Ca -0.01 -0.84 -0.08 0.00 0.02 0.00 0.00 54.97 54.06 1n63 s GLU 554 Cb -0.14 -0.75 0.01 0.00 0.10 0.00 0.00 34.13 33.35 1n63 s GLU 554 CO 0.03 0.17 0.16 -1.21 0.02 0.00 0.00 175.26 174.44 1n63 s GLU 555 N -1.48 0.49 0.00 1.61 2.02 -1.26 -2.70 118.70 117.38 1n63 s GLU 555 Ca -0.02 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.63 1n63 s GLU 555 Cb -0.09 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.35 1n63 s GLU 555 CO 0.02 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.59 1n63 n GLY 556 N 1.52 0.64 3.36 -1.39 0.00 -1.26 -4.89 105.19 103.17 1n63 n GLY 556 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1n63 n GLY 556 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1n63 s ASN 557 N -1.94 5.61 0.36 1.61 3.84 -1.26 -0.89 114.94 122.27 1n63 s ASN 557 Ca 0.00 -0.96 0.27 0.00 0.21 0.00 0.00 52.86 52.38 1n63 s ASN 557 Cb 0.00 -1.99 1.16 0.00 -0.55 0.00 0.00 41.25 39.88 1n63 s ASN 557 CO 0.00 -0.35 1.81 0.71 -2.79 0.00 0.00 177.10 176.48 1n63 h THR 558 N 5.91 0.00 0.00 -5.21 1.35 -1.54 0.08 112.91 113.50 1n63 h THR 558 Ca -0.26 -0.27 -0.09 0.00 -0.55 0.00 0.00 66.41 65.23 1n63 h THR 558 Cb 1.11 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 1n63 h THR 558 CO 0.65 0.00 -0.45 0.44 -0.25 0.00 0.00 175.52 175.91 1n63 h ASP 559 N 0.00 0.00 0.00 5.36 3.32 -1.89 -3.40 116.42 119.81 1n63 h ASP 559 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1n63 h ASP 559 Cb 0.35 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1n63 h ASP 559 CO 0.00 0.45 -1.57 0.35 -1.72 0.00 0.00 179.24 176.75 1n63 n THR 560 N -3.73 0.57 -2.14 0.35 -2.24 -0.47 -5.01 114.28 101.61 1n63 n THR 560 Ca -0.01 -0.17 -0.38 0.00 -2.27 0.00 0.00 64.05 61.22 1n63 n THR 560 Cb 0.52 -1.34 -0.00 0.00 -2.10 0.00 0.00 70.33 67.41 1n63 n THR 560 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n63 s ALA 561 N -2.19 3.05 0.70 6.98 0.00 -0.11 -5.01 121.76 125.17 1n63 s ALA 561 Ca -0.14 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 52.73 1n63 s ALA 561 Cb 0.05 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.75 1n63 s ALA 561 CO 0.20 -0.79 1.22 -1.25 0.00 0.00 0.00 175.76 175.14 1n63 s PRO 562 N -2.55 2.34 0.29 0.00 0.04 -1.26 -4.82 135.00 129.04 1n63 s PRO 562 Ca 0.62 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 63.17 1n63 s PRO 562 Cb -0.33 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.24 1n63 s PRO 562 CO 0.41 -1.69 1.59 -0.47 0.04 0.00 0.00 177.00 176.88 1n63 s TYR 563 N -1.84 2.76 0.33 0.56 6.14 -1.26 -3.94 117.35 120.10 1n63 s TYR 563 Ca 0.76 0.77 -0.02 0.00 0.64 0.00 0.00 57.07 59.23 1n63 s TYR 563 Cb -0.31 -4.07 0.01 0.00 0.42 0.00 0.00 41.96 38.01 1n63 s TYR 563 CO 0.42 -3.60 0.46 0.41 0.64 0.00 0.00 175.55 173.88 1n63 n GLY 564 N 2.21 2.17 0.88 8.97 0.00 -1.25 -4.36 105.19 113.82 1n63 n GLY 564 Ca 0.08 -1.60 0.10 0.00 0.00 0.00 0.00 46.02 44.60 1n63 n GLY 564 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n63 n LEU 565 N 0.00 2.89 0.00 0.99 7.99 -1.22 -4.39 117.00 123.26 1n63 n LEU 565 Ca 0.01 -1.22 0.00 0.00 -0.01 0.00 0.00 56.01 54.79 1n63 n LEU 565 Cb 0.55 -0.09 0.00 0.00 -0.11 0.00 0.00 43.42 43.77 1n63 n LEU 565 CO 0.27 0.56 0.00 0.61 -1.51 0.00 0.00 177.39 177.32 1n63 n GLY 566 N 1.17 -2.88 3.21 -0.72 0.00 -1.04 -4.74 105.19 100.18 1n63 n GLY 566 Ca 0.14 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 1n63 n GLY 566 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n63 s THR 567 N -0.50 3.29 0.12 2.61 2.01 -0.35 -4.65 115.64 118.17 1n63 s THR 567 Ca 0.00 -1.32 -0.26 0.00 0.31 0.00 0.00 61.69 60.42 1n63 s THR 567 Cb 0.00 -2.90 0.08 0.00 0.01 0.00 0.00 72.50 69.69 1n63 s THR 567 CO 0.00 -0.16 1.05 -0.72 -0.69 0.00 0.00 174.62 174.11 1n63 s TYR 568 N 1.30 -0.08 -1.35 4.92 -0.85 -1.26 -4.81 117.35 115.22 1n63 s TYR 568 Ca -0.03 -0.19 -0.01 0.00 -0.52 0.00 0.00 57.07 56.31 1n63 s TYR 568 Cb -0.20 0.63 0.01 0.00 0.38 0.00 0.00 41.96 42.77 1n63 s TYR 568 CO 0.00 -0.70 0.10 0.41 -1.52 0.00 0.00 175.55 173.84 1n63 n GLY 569 N -0.51 -0.50 3.70 5.49 0.00 -1.26 -1.66 105.19 110.44 1n63 n GLY 569 Ca -0.06 0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1n63 n GLY 569 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n63 n SER 570 N -1.98 -3.10 0.01 1.61 7.64 -1.26 -2.99 113.62 113.56 1n63 n SER 570 Ca -0.16 -0.61 0.11 0.00 1.01 0.00 0.00 58.87 59.22 1n63 n SER 570 Cb 0.63 -2.58 0.11 0.00 -1.01 0.00 0.00 64.21 61.35 1n63 n SER 570 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1n63 n ARG 571 N -3.85 0.10 -0.03 1.43 1.85 -0.66 -4.21 116.66 111.28 1n63 n ARG 571 Ca 0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.79 1n63 n ARG 571 Cb 0.51 -1.54 -0.04 0.00 -1.05 0.00 0.00 32.46 30.34 1n63 n ARG 571 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1n63 h SER 572 N 0.00 0.17 -0.26 2.89 0.02 -1.87 -0.72 113.55 113.78 1n63 h SER 572 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1n63 h SER 572 Cb 0.58 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 1n63 h SER 572 CO 0.00 0.12 -0.22 0.74 -1.14 0.00 0.00 176.83 176.33 1n63 h THR 573 N 0.21 1.31 -0.71 -2.27 2.02 -1.92 0.68 112.91 112.23 1n63 h THR 573 Ca 0.07 -1.37 0.03 0.00 0.77 0.00 0.00 66.41 65.90 1n63 h THR 573 Cb -0.01 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 1n63 h THR 573 CO -0.03 0.43 0.47 -0.65 0.37 0.00 0.00 175.52 176.11 1n63 h PRO 574 N 0.33 0.83 0.00 6.66 0.11 -1.75 -2.89 132.00 135.30 1n63 h PRO 574 Ca 0.05 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1n63 h PRO 574 Cb 0.77 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1n63 h PRO 574 CO 0.06 0.55 0.00 0.25 -0.21 0.00 0.00 178.00 178.65 1n63 n THR 575 N -4.45 0.00 0.19 -1.15 -2.24 -0.29 -4.10 114.28 102.24 1n63 n THR 575 Ca 0.09 0.32 0.04 0.00 -2.27 0.00 0.00 64.05 62.22 1n63 n THR 575 Cb 0.12 -1.30 0.39 0.00 -2.10 0.00 0.00 70.33 67.43 1n63 n THR 575 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n63 h ALA 576 N -1.68 1.33 -0.52 6.98 0.00 -1.47 -0.16 119.26 123.73 1n63 h ALA 576 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1n63 h ALA 576 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1n63 h ALA 576 CO 0.00 0.44 0.10 0.78 0.00 0.00 0.00 179.25 180.57 1n63 h GLY 577 N 1.20 0.92 0.99 0.00 0.00 -0.70 0.14 103.07 105.62 1n63 h GLY 577 Ca -0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 1n63 h GLY 577 CO 0.05 0.56 0.22 0.00 0.00 0.00 0.00 176.54 177.37 1n63 h ALA 578 N 0.99 0.46 -0.87 3.60 0.00 -1.28 -2.48 119.26 119.67 1n63 h ALA 578 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1n63 h ALA 578 Cb 0.38 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1n63 h ALA 578 CO 0.01 -0.05 0.54 0.00 0.00 0.00 0.00 179.25 179.74 1n63 h ALA 579 N 1.10 1.30 -0.31 0.00 0.00 -0.69 -0.43 119.26 120.24 1n63 h ALA 579 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1n63 h ALA 579 Cb -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1n63 h ALA 579 CO -0.03 0.61 0.16 1.15 0.00 0.00 0.00 179.25 181.15 1n63 h THR 580 N 1.20 1.14 -0.50 0.00 2.02 -0.61 0.16 112.91 116.32 1n63 h THR 580 Ca 0.31 -0.38 -0.11 0.00 0.77 0.00 0.00 66.41 67.01 1n63 h THR 580 Cb -0.07 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1n63 h THR 580 CO -0.06 0.14 -0.13 0.00 0.37 0.00 0.00 175.52 175.84 1n63 h ALA 581 N 1.03 0.83 -0.32 6.16 0.00 -0.93 -0.43 119.26 125.60 1n63 h ALA 581 Ca 0.11 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 1n63 h ALA 581 Cb 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1n63 h ALA 581 CO -0.02 0.65 -0.50 0.28 0.00 0.00 0.00 179.25 179.67 1n63 h VAL 582 N 0.84 1.27 -0.46 0.00 2.07 -0.85 -0.44 116.25 118.68 1n63 h VAL 582 Ca 0.13 -1.68 -0.04 0.00 0.82 0.00 0.00 66.70 65.93 1n63 h VAL 582 Cb 0.67 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1n63 h VAL 582 CO 0.05 0.55 0.12 0.00 0.02 0.00 0.00 177.57 178.31 1n63 h ALA 583 N 0.72 0.61 -0.94 1.67 0.00 -0.61 -1.13 119.26 119.57 1n63 h ALA 583 Ca 0.03 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1n63 h ALA 583 Cb 1.11 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1n63 h ALA 583 CO 0.11 0.29 0.62 0.00 0.00 0.00 0.00 179.25 180.28 1n63 h ALA 584 N 0.98 1.36 0.00 0.00 0.00 -0.88 -1.99 119.26 118.74 1n63 h ALA 584 Ca 0.15 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1n63 h ALA 584 Cb 0.31 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1n63 h ALA 584 CO 0.00 0.57 -0.41 0.00 0.00 0.00 0.00 179.25 179.41 1n63 h ARG 585 N 1.23 0.00 -0.55 0.00 3.08 -0.63 0.10 114.38 117.61 1n63 h ARG 585 Ca 0.36 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.37 1n63 h ARG 585 Cb -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1n63 h ARG 585 CO -0.09 0.41 0.20 0.87 -1.07 0.00 0.00 179.97 180.28 1n63 h LYS 586 N 0.00 0.83 -0.62 0.04 1.57 -0.53 -0.95 116.57 116.92 1n63 h LYS 586 Ca -0.00 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1n63 h LYS 586 Cb 0.72 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1n63 h LYS 586 CO 0.05 0.74 0.24 0.82 -0.57 0.00 0.00 179.45 180.73 1n63 h ILE 587 N 0.76 1.23 -0.97 1.86 2.04 -0.88 -1.98 117.51 119.57 1n63 h ILE 587 Ca 0.18 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.32 1n63 h ILE 587 Cb 0.23 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1n63 h ILE 587 CO -0.01 0.29 0.64 0.50 0.00 0.00 0.00 178.15 179.57 1n63 h LYS 588 N 0.86 1.28 -0.68 2.37 3.64 -0.73 0.57 116.57 123.89 1n63 h LYS 588 Ca 0.21 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 1n63 h LYS 588 Cb 0.21 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1n63 h LYS 588 CO -0.02 0.85 0.14 0.00 -2.27 0.00 0.00 179.45 178.16 1n63 h ALA 589 N 1.35 0.96 -0.35 5.00 0.00 -0.93 -0.01 119.26 125.29 1n63 h ALA 589 Ca 0.36 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1n63 h ALA 589 Cb -0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1n63 h ALA 589 CO -0.08 0.66 -0.41 -0.22 0.00 0.00 0.00 179.25 179.20 1n63 h LYS 590 N 1.04 0.87 -0.91 0.00 3.64 -0.71 -2.36 116.57 118.13 1n63 h LYS 590 Ca 0.21 -0.47 0.02 0.00 -1.27 0.00 0.00 60.65 59.14 1n63 h LYS 590 Cb 0.40 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 1n63 h LYS 590 CO 0.01 1.11 0.60 0.00 -2.27 0.00 0.00 179.45 178.90 1n63 h ALA 591 N 0.82 1.38 -0.80 5.00 0.00 -0.54 -0.48 119.26 124.65 1n63 h ALA 591 Ca 0.05 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1n63 h ALA 591 Cb 0.99 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1n63 h ALA 591 CO 0.10 0.56 0.51 0.37 0.00 0.00 0.00 179.25 180.79 1n63 h GLN 592 N 1.20 0.99 -0.46 0.00 4.15 -0.73 0.14 115.11 120.39 1n63 h GLN 592 Ca 0.34 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.60 1n63 h GLN 592 Cb -0.08 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.37 1n63 h GLN 592 CO -0.09 0.65 -0.13 0.52 -1.93 0.00 0.00 178.83 177.86 1n63 h MET 593 N 1.02 0.86 -0.49 1.69 2.86 -0.72 -0.56 114.93 119.59 1n63 h MET 593 Ca 0.31 -0.31 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1n63 h MET 593 Cb -0.03 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1n63 h MET 593 CO -0.10 0.94 0.13 0.82 1.06 0.00 0.00 176.91 179.76 1n63 h ILE 594 N 0.77 1.24 -0.83 -1.22 2.04 -0.62 -1.86 117.51 117.02 1n63 h ILE 594 Ca 0.12 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1n63 h ILE 594 Cb 0.64 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1n63 h ILE 594 CO 0.04 0.29 0.55 0.00 0.00 0.00 0.00 178.15 179.04 1n63 h ALA 595 N 1.00 1.41 -0.55 1.87 0.00 -0.52 -0.70 119.26 121.77 1n63 h ALA 595 Ca 0.16 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1n63 h ALA 595 Cb 0.31 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1n63 h ALA 595 CO -0.00 0.54 -0.03 0.00 0.00 0.00 0.00 179.25 179.76 1n63 h ALA 596 N 1.48 0.75 -0.37 0.00 0.00 -0.74 0.23 119.26 120.61 1n63 h ALA 596 Ca 0.31 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1n63 h ALA 596 Cb -0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1n63 h ALA 596 CO -0.07 0.60 0.11 1.25 0.00 0.00 0.00 179.25 181.14 1n63 h HIS 597 N 0.87 0.60 -0.52 0.00 6.17 -0.80 -0.51 115.15 120.96 1n63 h HIS 597 Ca 0.15 -0.06 -0.10 0.00 0.71 0.00 0.00 60.37 61.07 1n63 h HIS 597 Cb 0.58 -0.17 -0.02 0.00 2.52 0.00 0.00 27.41 30.32 1n63 h HIS 597 CO 0.04 0.58 -0.06 0.52 0.71 0.00 0.00 177.93 179.72 1n63 h MET 598 N 0.44 0.96 -0.02 5.26 2.86 -0.70 -3.01 114.93 120.72 1n63 h MET 598 Ca 0.12 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1n63 h MET 598 Cb 0.27 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1n63 h MET 598 CO -0.00 1.00 -0.11 1.28 1.06 0.00 0.00 176.91 180.14 1n63 n LEU 599 N -4.23 1.72 -3.74 1.22 4.77 0.03 -4.97 117.00 111.80 1n63 n LEU 599 Ca 0.01 -0.56 -0.23 0.00 -0.03 0.00 0.00 56.01 55.20 1n63 n LEU 599 Cb 0.37 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1n63 n LEU 599 CO 0.44 0.30 -0.10 -0.62 -1.33 0.00 0.00 177.39 176.08 1n63 n GLU 600 N 0.17 -4.23 -4.41 3.23 1.02 -0.28 -5.02 120.64 111.12 1n63 n GLU 600 Ca 0.15 0.57 -0.22 0.00 -0.02 0.00 0.00 57.16 57.65 1n63 n GLU 600 Cb 0.41 -4.98 -0.09 0.00 -0.02 0.00 0.00 31.44 26.76 1n63 n GLU 600 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1n63 s VAL 601 N -3.71 0.51 0.31 2.62 -7.23 -0.73 -5.06 120.40 107.11 1n63 s VAL 601 Ca 0.05 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.01 1n63 s VAL 601 Cb -0.01 -2.48 -0.09 0.00 0.56 0.00 0.00 36.38 34.35 1n63 s VAL 601 CO 0.83 0.00 0.82 -1.00 -0.31 0.00 0.00 175.10 175.44 1n63 s HIS 602 N -3.42 3.54 0.52 2.82 3.76 -1.26 -4.55 115.29 116.70 1n63 s HIS 602 Ca 0.32 1.49 0.18 0.00 -0.15 0.00 0.00 55.06 56.89 1n63 s HIS 602 Cb 0.04 -2.72 1.28 0.00 1.11 0.00 0.00 32.58 32.30 1n63 s HIS 602 CO 0.17 0.17 2.10 0.93 -0.85 0.00 0.00 174.74 177.27 1n63 h GLU 603 N 2.84 0.03 0.00 1.40 5.08 -1.91 0.26 114.58 122.28 1n63 h GLU 603 Ca -0.48 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1n63 h GLU 603 Cb 1.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1n63 h GLU 603 CO 0.64 0.02 0.00 0.78 -1.00 0.00 0.00 179.01 179.45 1n63 h GLY 604 N 0.03 0.00 1.46 -3.84 0.00 -1.97 -1.48 103.07 97.27 1n63 h GLY 604 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1n63 h GLY 604 CO -0.00 0.00 -0.01 1.22 0.00 0.00 0.00 176.54 177.75 1n63 n ASP 605 N -3.00 0.03 -4.91 0.19 8.00 0.08 -4.89 116.55 112.05 1n63 n ASP 605 Ca 0.00 -0.28 -0.26 0.00 0.71 0.00 0.00 54.79 54.97 1n63 n ASP 605 Cb 0.28 -0.24 -0.04 0.00 -0.02 0.00 0.00 41.12 41.11 1n63 n ASP 605 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n63 s LEU 606 N -2.50 4.21 0.00 0.64 1.43 -0.56 -0.72 118.68 121.18 1n63 s LEU 606 Ca 0.31 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1n63 s LEU 606 Cb 0.20 -2.79 -0.00 0.00 0.03 0.00 0.00 46.19 43.63 1n63 s LEU 606 CO 0.45 0.06 -0.02 -1.83 0.23 0.00 0.00 176.35 175.24 1n63 s GLU 607 N -3.17 0.15 0.17 1.70 -1.05 -0.25 -4.87 118.70 111.37 1n63 s GLU 607 Ca 0.34 -0.15 -0.30 0.00 -0.15 0.00 0.00 54.97 54.71 1n63 s GLU 607 Cb -0.11 -0.09 -0.07 0.00 -0.44 0.00 0.00 34.13 33.42 1n63 s GLU 607 CO 0.27 0.02 0.99 -0.46 0.95 0.00 0.00 175.26 177.03 1n63 s TRP 608 N -0.26 3.81 -0.41 4.83 -0.11 -1.26 -0.95 118.94 124.59 1n63 s TRP 608 Ca -0.02 1.79 0.04 0.00 1.22 0.00 0.00 56.10 59.13 1n63 s TRP 608 Cb -0.02 -3.08 0.17 0.00 -1.50 0.00 0.00 33.47 29.03 1n63 s TRP 608 CO -0.00 0.10 0.35 0.34 -4.62 0.00 0.00 176.95 173.12 1n63 s ASP 609 N -0.39 1.39 0.00 5.86 2.15 0.49 -4.96 116.67 121.21 1n63 s ASP 609 Ca 0.46 -2.75 0.00 0.00 0.43 0.00 0.00 52.55 50.69 1n63 s ASP 609 Cb -0.26 -0.18 0.00 0.00 -0.30 0.00 0.00 42.92 42.18 1n63 s ASP 609 CO 0.32 -0.19 0.00 0.52 -0.17 0.00 0.00 175.17 175.65 1n63 n VAL 610 N 3.11 0.00 -1.66 1.11 0.31 -1.26 -2.95 118.33 116.99 1n63 n VAL 610 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1n63 n VAL 610 Cb 0.47 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 1n63 n VAL 610 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1n63 n ASP 611 N 2.66 0.00 -3.50 4.52 5.75 -1.26 -3.56 116.55 121.16 1n63 n ASP 611 Ca 0.00 -1.53 -0.12 0.00 -0.01 0.00 0.00 54.79 53.13 1n63 n ASP 611 Cb 0.00 -0.11 -0.03 0.00 -1.03 0.00 0.00 41.12 39.95 1n63 n ASP 611 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n63 s ARG 612 N 0.00 1.18 -0.18 0.11 1.70 -1.15 -0.92 118.95 119.69 1n63 s ARG 612 Ca 0.00 -0.44 -0.09 0.00 -0.47 0.00 0.00 55.73 54.73 1n63 s ARG 612 Cb 0.00 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.87 1n63 s ARG 612 CO 0.00 -0.49 0.12 -0.06 -1.08 0.00 0.00 175.30 173.79 1n63 s PHE 613 N -3.40 3.42 0.17 5.89 0.08 -0.06 -0.38 117.98 123.69 1n63 s PHE 613 Ca -0.00 0.32 0.10 0.00 0.12 0.00 0.00 56.93 57.47 1n63 s PHE 613 Cb -0.00 -2.10 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 1n63 s PHE 613 CO -0.10 0.36 -0.16 1.03 -0.10 0.00 0.00 175.22 176.25 1n63 s ARG 614 N 0.07 1.83 -0.22 0.44 0.52 -0.12 -0.83 118.95 120.64 1n63 s ARG 614 Ca 0.09 -1.32 -0.27 0.00 -0.52 0.00 0.00 55.73 53.71 1n63 s ARG 614 Cb -0.11 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.30 1n63 s ARG 614 CO -0.00 0.44 0.94 0.08 0.02 0.00 0.00 175.30 176.77 1n63 s VAL 615 N -1.55 4.77 -0.35 3.52 1.01 -0.13 -1.09 120.40 126.59 1n63 s VAL 615 Ca 0.22 1.82 -0.43 0.00 0.00 0.00 0.00 61.98 63.59 1n63 s VAL 615 Cb -0.09 -4.22 -0.17 0.00 0.00 0.00 0.00 36.38 31.89 1n63 s VAL 615 CO 0.12 -0.10 1.66 0.29 0.00 0.00 0.00 175.10 177.07 1n63 n LYS 616 N 5.99 0.69 -0.97 2.72 5.02 0.10 -0.79 118.16 130.90 1n63 n LYS 616 Ca 0.09 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1n63 n LYS 616 Cb 0.47 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1n63 n LYS 616 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n63 n GLY 617 N 4.01 0.35 2.31 0.72 0.00 -1.26 -4.80 105.19 106.53 1n63 n GLY 617 Ca 0.28 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 1n63 n GLY 617 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n63 n LEU 618 N 0.00 1.39 0.00 0.99 4.77 0.02 -4.97 117.00 119.20 1n63 n LEU 618 Ca 0.00 -5.03 0.04 0.00 -0.03 0.00 0.00 56.01 50.99 1n63 n LEU 618 Cb 0.16 0.37 0.19 0.00 -2.33 0.00 0.00 43.42 41.82 1n63 n LEU 618 CO 0.00 2.19 0.62 -0.81 -1.33 0.00 0.00 177.39 178.07 1n63 n PRO 619 N 0.69 0.03 0.22 3.23 -0.04 -1.20 -0.88 135.00 137.05 1n63 n PRO 619 Ca 0.25 0.32 0.06 0.00 -0.04 0.00 0.00 63.50 64.08 1n63 n PRO 619 Cb 0.55 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 33.02 1n63 n PRO 619 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1n63 h GLU 620 N 0.00 0.00 -5.03 0.54 4.11 -1.93 -3.42 114.58 108.85 1n63 h GLU 620 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.77 1n63 h GLU 620 Cb 0.13 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.22 1n63 h GLU 620 CO 0.00 0.19 -0.22 0.15 0.07 0.00 0.00 179.01 179.21 1n63 s LYS 621 N -4.58 3.56 0.14 1.06 1.02 -0.06 -5.05 119.74 115.84 1n63 s LYS 621 Ca -0.04 -0.36 -0.24 0.00 0.02 0.00 0.00 55.97 55.36 1n63 s LYS 621 Cb 0.15 -3.81 0.07 0.00 -0.52 0.00 0.00 37.83 33.73 1n63 s LYS 621 CO 0.69 -0.57 0.62 -0.59 -0.92 0.00 0.00 175.35 174.59 1n63 s PHE 622 N 2.13 -0.53 -0.04 3.18 -0.71 -1.26 -0.95 117.98 119.80 1n63 s PHE 622 Ca 0.14 0.34 0.01 0.00 -1.04 0.00 0.00 56.93 56.38 1n63 s PHE 622 Cb -0.16 0.55 0.02 0.00 -1.21 0.00 0.00 43.02 42.22 1n63 s PHE 622 CO 0.12 -0.82 -0.05 0.15 -1.34 0.00 0.00 175.22 173.28 1n63 s LYS 623 N -3.64 0.86 0.64 1.99 -0.14 -0.01 -4.98 119.74 114.45 1n63 s LYS 623 Ca 0.01 -0.13 -0.11 0.00 -1.36 0.00 0.00 55.97 54.38 1n63 s LYS 623 Cb -0.01 -0.84 -0.03 0.00 -1.68 0.00 0.00 37.83 35.27 1n63 s LYS 623 CO -0.12 -0.06 1.04 0.95 -0.76 0.00 0.00 175.35 176.41 1n63 s THR 624 N 0.81 4.47 0.36 2.17 -4.23 -1.26 -0.88 115.64 117.08 1n63 s THR 624 Ca -0.11 0.80 0.07 0.00 -1.18 0.00 0.00 61.69 61.27 1n63 s THR 624 Cb -0.14 -3.79 0.15 0.00 1.34 0.00 0.00 72.50 70.06 1n63 s THR 624 CO 0.00 -1.05 1.88 -0.03 -0.54 0.00 0.00 174.62 174.89 1n63 h MET 625 N -0.39 0.39 -0.12 3.99 4.05 -1.33 0.32 114.93 121.83 1n63 h MET 625 Ca -0.44 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 58.88 1n63 h MET 625 Cb 1.20 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.94 1n63 h MET 625 CO 0.62 0.48 0.03 -0.22 0.23 0.00 0.00 176.91 178.06 1n63 h LYS 626 N 0.37 0.20 -1.00 0.39 3.64 -1.92 0.24 116.57 118.48 1n63 h LYS 626 Ca 0.08 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.52 1n63 h LYS 626 Cb 0.37 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.09 1n63 h LYS 626 CO 0.02 0.35 0.64 0.93 -2.27 0.00 0.00 179.45 179.11 1n63 h GLU 627 N 0.01 1.01 -0.18 1.90 5.08 -1.85 -2.39 114.58 118.16 1n63 h GLU 627 Ca 0.04 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 1n63 h GLU 627 Cb 0.24 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1n63 h GLU 627 CO -0.00 0.67 -0.68 -0.07 -1.00 0.00 0.00 179.01 177.93 1n63 h LEU 628 N 1.04 0.81 -0.51 1.33 3.38 -0.43 -0.91 115.31 120.02 1n63 h LEU 628 Ca 0.48 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1n63 h LEU 628 Cb 0.40 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1n63 h LEU 628 CO -0.24 1.27 0.27 0.00 0.09 0.00 0.00 178.44 179.84 1n63 h ALA 629 N 0.73 0.66 -0.58 1.53 0.00 -0.82 -0.81 119.26 119.96 1n63 h ALA 629 Ca -0.02 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1n63 h ALA 629 Cb 1.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1n63 h ALA 629 CO 0.14 -0.06 0.09 2.35 0.00 0.00 0.00 179.25 181.76 1n63 h TRP 630 N 0.53 1.03 -0.11 0.00 2.91 -1.27 -2.70 115.95 116.35 1n63 h TRP 630 Ca 0.22 -0.15 -0.05 0.00 1.13 0.00 0.00 58.89 60.05 1n63 h TRP 630 Cb 0.10 -0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 28.46 1n63 h TRP 630 CO -0.09 0.90 -0.16 0.00 -1.03 0.00 0.00 178.44 178.06 1n63 h ALA 631 N 1.01 1.54 0.00 2.65 0.00 -0.77 0.97 119.26 124.65 1n63 h ALA 631 Ca 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1n63 h ALA 631 Cb 0.43 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1n63 h ALA 631 CO 0.01 0.33 -0.04 0.66 0.00 0.00 0.00 179.25 180.21 1n63 h SER 632 N 0.16 0.00 0.00 0.00 4.64 -0.81 0.87 113.55 118.41 1n63 h SER 632 Ca 0.03 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.01 1n63 h SER 632 Cb 0.38 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.41 1n63 h SER 632 CO 0.02 0.04 -2.29 -1.22 -0.87 0.00 0.00 176.83 172.52 1n63 n TYR 633 N -3.44 0.00 -0.02 4.77 4.02 -0.50 -0.92 117.16 121.07 1n63 n TYR 633 Ca -0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.66 1n63 n TYR 633 Cb 0.16 -0.90 -0.14 0.00 -0.02 0.00 0.00 39.34 38.44 1n63 n TYR 633 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1n63 n ASN 634 N -2.91 2.10 -3.13 7.72 2.85 0.22 -4.64 115.26 117.46 1n63 n ASN 634 Ca -0.35 0.16 -0.17 0.00 -0.11 0.00 0.00 54.58 54.11 1n63 n ASN 634 Cb 1.02 -0.80 -0.02 0.00 1.24 0.00 0.00 39.78 41.23 1n63 n ASN 634 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1n63 n SER 635 N -3.48 0.47 -4.76 1.20 7.64 0.26 -5.03 113.62 109.93 1n63 n SER 635 Ca -0.34 -3.09 -0.41 0.00 1.01 0.00 0.00 58.87 56.04 1n63 n SER 635 Cb 1.03 -0.32 -0.01 0.00 -1.01 0.00 0.00 64.21 63.89 1n63 n SER 635 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1n63 s PRO 636 N -2.13 4.14 0.32 1.43 0.04 -0.95 -4.70 135.00 133.17 1n63 s PRO 636 Ca 0.38 2.53 -0.29 0.00 0.04 0.00 0.00 61.00 63.66 1n63 s PRO 636 Cb 0.34 -3.02 -0.11 0.00 0.04 0.00 0.00 34.50 31.75 1n63 s PRO 636 CO -0.08 -0.57 1.55 -2.14 0.04 0.00 0.00 177.00 175.81 1n63 s PRO 637 N -0.84 4.12 0.54 0.56 0.02 -1.26 -4.86 135.00 133.27 1n63 s PRO 637 Ca 0.60 2.58 0.26 0.00 0.02 0.00 0.00 61.00 64.46 1n63 s PRO 637 Cb -0.47 -3.00 1.52 0.00 0.02 0.00 0.00 34.50 32.58 1n63 s PRO 637 CO 0.51 -0.60 2.14 -1.00 -0.33 0.00 0.00 177.00 177.71 1n63 h PRO 638 N 4.15 0.00 0.00 5.54 0.13 -2.00 -1.09 132.00 138.73 1n63 h PRO 638 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1n63 h PRO 638 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1n63 h PRO 638 CO 0.74 0.08 0.00 0.09 -0.23 0.00 0.00 178.00 178.67 1n63 n ASN 639 N -3.86 0.53 -4.51 1.44 3.02 -1.26 -4.86 115.26 105.76 1n63 n ASN 639 Ca -0.02 0.62 -0.25 0.00 -0.03 0.00 0.00 54.58 54.90 1n63 n ASN 639 Cb 0.17 -0.73 -0.10 0.00 -0.61 0.00 0.00 39.78 38.50 1n63 n ASN 639 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n63 s LEU 640 N -4.14 2.68 0.43 3.41 1.43 -0.41 -5.12 118.68 116.95 1n63 s LEU 640 Ca 0.06 -1.11 -0.22 0.00 -1.03 0.00 0.00 54.13 51.83 1n63 s LEU 640 Cb 0.10 -1.06 -0.10 0.00 0.03 0.00 0.00 46.19 45.16 1n63 s LEU 640 CO 0.39 -0.09 1.00 -1.61 0.23 0.00 0.00 176.35 176.27 1n63 s GLU 641 N -3.57 4.13 1.04 1.70 2.02 -1.26 -4.67 118.70 118.10 1n63 s GLU 641 Ca 0.31 1.31 -0.11 0.00 0.02 0.00 0.00 54.97 56.50 1n63 s GLU 641 Cb -0.01 -2.31 0.22 0.00 0.10 0.00 0.00 34.13 32.13 1n63 s GLU 641 CO 0.16 -0.14 1.08 -2.14 0.02 0.00 0.00 175.26 174.25 1n63 s PRO 642 N -2.90 0.00 0.00 0.39 0.02 -1.26 -4.89 135.00 126.36 1n63 s PRO 642 Ca 0.61 1.19 0.00 0.00 0.02 0.00 0.00 61.00 62.83 1n63 s PRO 642 Cb -0.15 -1.64 0.00 0.00 0.02 0.00 0.00 34.50 32.73 1n63 s PRO 642 CO 0.20 -3.21 0.00 0.41 -0.33 0.00 0.00 177.00 174.07 1n63 n GLY 643 N 0.52 -0.87 2.94 0.52 0.00 -0.10 -4.96 105.19 103.25 1n63 n GLY 643 Ca 0.07 -1.68 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 1n63 n GLY 643 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n63 s LEU 644 N -1.72 -0.73 0.22 0.99 2.96 -1.26 -4.85 118.68 114.29 1n63 s LEU 644 Ca 0.00 -0.90 -0.16 0.00 -0.22 0.00 0.00 54.13 52.85 1n63 s LEU 644 Cb 0.00 1.15 0.02 0.00 0.50 0.00 0.00 46.19 47.85 1n63 s LEU 644 CO 0.00 -0.27 0.53 -1.83 -1.32 0.00 0.00 176.35 173.45 1n63 s GLU 645 N 1.98 1.48 0.03 1.98 -1.05 -1.26 -1.10 118.70 120.75 1n63 s GLU 645 Ca 0.14 -1.01 -0.27 0.00 -0.15 0.00 0.00 54.97 53.68 1n63 s GLU 645 Cb -0.11 0.51 0.09 0.00 -0.44 0.00 0.00 34.13 34.18 1n63 s GLU 645 CO -0.15 -0.63 0.79 0.00 0.95 0.00 0.00 175.26 176.23 1n63 s ALA 646 N -3.93 -1.76 0.05 -0.84 0.00 -0.23 -4.77 121.76 110.29 1n63 s ALA 646 Ca 0.14 0.94 0.06 0.00 0.00 0.00 0.00 51.96 53.09 1n63 s ALA 646 Cb -0.01 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 1n63 s ALA 646 CO 0.02 -0.65 -0.17 0.08 0.00 0.00 0.00 175.76 175.04 1n63 s VAL 647 N -2.95 1.36 -0.02 0.00 1.01 -1.26 -0.60 120.40 117.93 1n63 s VAL 647 Ca 0.02 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 60.85 1n63 s VAL 647 Cb -0.01 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1n63 s VAL 647 CO -0.08 0.04 -0.01 0.21 0.00 0.00 0.00 175.10 175.27 1n63 s ASN 648 N -1.30 0.37 -0.30 3.32 3.84 -0.26 -4.80 114.94 115.82 1n63 s ASN 648 Ca 0.04 -0.03 -0.06 0.00 0.21 0.00 0.00 52.86 53.01 1n63 s ASN 648 Cb -0.09 -0.16 0.01 0.00 -0.55 0.00 0.00 41.25 40.47 1n63 s ASN 648 CO 0.02 -0.06 0.07 -0.31 -2.79 0.00 0.00 177.10 174.03 1n63 s TYR 649 N 0.70 3.15 -0.30 0.43 1.51 -1.26 -1.52 117.35 120.06 1n63 s TYR 649 Ca -0.07 -1.06 -0.11 0.00 -1.01 0.00 0.00 57.07 54.82 1n63 s TYR 649 Cb -0.10 -2.24 -0.03 0.00 -0.11 0.00 0.00 41.96 39.48 1n63 s TYR 649 CO -0.01 -0.60 0.18 -0.47 -1.11 0.00 0.00 175.55 173.54 1n63 s TYR 650 N 1.48 3.20 -0.45 2.71 5.04 0.38 -4.95 117.35 124.75 1n63 s TYR 650 Ca 0.02 -0.19 -0.16 0.00 -2.44 0.00 0.00 57.07 54.31 1n63 s TYR 650 Cb -0.17 -2.39 0.06 0.00 0.35 0.00 0.00 41.96 39.81 1n63 s TYR 650 CO 0.02 -0.31 0.38 0.34 -1.34 0.00 0.00 175.55 174.65 1n63 s ASP 651 N 1.70 6.14 0.44 4.32 2.15 -1.26 -2.31 116.67 127.85 1n63 s ASP 651 Ca 0.06 -1.17 -0.24 0.00 0.43 0.00 0.00 52.55 51.63 1n63 s ASP 651 Cb -0.17 -2.18 -0.08 0.00 -0.30 0.00 0.00 42.92 40.19 1n63 s ASP 651 CO 0.09 -0.60 1.25 -2.16 -0.17 0.00 0.00 175.17 173.58 1n63 s PRO 652 N 1.71 3.81 0.34 4.34 0.04 -1.26 -4.91 135.00 139.07 1n63 s PRO 652 Ca 0.05 2.00 0.17 0.00 0.04 0.00 0.00 61.00 63.26 1n63 s PRO 652 Cb -0.22 -2.58 0.57 0.00 0.04 0.00 0.00 34.50 32.31 1n63 s PRO 652 CO 0.08 -0.57 1.69 -1.00 0.04 0.00 0.00 177.00 177.23 1n63 h PRO 653 N 2.33 0.00 -3.03 0.56 0.13 -1.94 -3.29 132.00 126.75 1n63 h PRO 653 Ca -0.50 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.68 1n63 h PRO 653 Cb 1.25 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 1n63 h PRO 653 CO 0.61 0.44 0.21 1.21 -0.23 0.00 0.00 178.00 180.24 1n63 s ASN 654 N -6.53 -0.30 1.00 1.44 2.47 -1.26 -4.88 114.94 106.89 1n63 s ASN 654 Ca -0.00 -0.53 -0.12 0.00 0.42 0.00 0.00 52.86 52.63 1n63 s ASN 654 Cb 0.11 0.70 0.19 0.00 -1.45 0.00 0.00 41.25 40.80 1n63 s ASN 654 CO 0.71 -1.28 1.09 -0.04 -3.72 0.00 0.00 177.10 173.87 1n63 s MET 655 N -3.90 0.39 0.10 0.43 -1.94 -1.26 -4.78 119.30 108.34 1n63 s MET 655 Ca 0.10 0.49 0.05 0.00 -1.71 0.00 0.00 55.69 54.62 1n63 s MET 655 Cb -0.05 -1.73 -0.04 0.00 2.01 0.00 0.00 34.83 35.02 1n63 s MET 655 CO 0.04 -2.75 0.02 0.95 -0.01 0.00 0.00 175.02 173.27 1n63 s THR 656 N -2.97 4.12 -0.56 2.05 -4.23 0.06 -4.73 115.64 109.38 1n63 s THR 656 Ca 0.65 -0.97 0.05 0.00 -1.18 0.00 0.00 61.69 60.24 1n63 s THR 656 Cb -0.18 -2.98 0.19 0.00 1.34 0.00 0.00 72.50 70.86 1n63 s THR 656 CO 0.57 0.10 0.47 -1.22 -0.54 0.00 0.00 174.62 174.00 1n63 n TYR 657 N 0.47 1.40 -1.13 3.99 4.02 -1.26 -0.72 117.16 123.93 1n63 n TYR 657 Ca -0.10 -3.85 -0.30 0.00 -0.01 0.00 0.00 57.90 53.64 1n63 n TYR 657 Cb 0.52 -0.26 0.14 0.00 -0.02 0.00 0.00 39.34 39.72 1n63 n TYR 657 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1n63 s PRO 658 N -0.99 1.23 0.25 -0.72 0.04 -1.26 -4.74 135.00 128.81 1n63 s PRO 658 Ca 0.31 0.93 -0.07 0.00 0.04 0.00 0.00 61.00 62.21 1n63 s PRO 658 Cb 0.03 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 1n63 s PRO 658 CO -0.16 -2.29 0.35 -0.59 0.04 0.00 0.00 177.00 174.35 1n63 s PHE 659 N -2.88 0.78 0.19 0.56 -0.71 -0.79 -0.63 117.98 114.50 1n63 s PHE 659 Ca 0.64 -1.06 -0.23 0.00 -1.04 0.00 0.00 56.93 55.23 1n63 s PHE 659 Cb -0.19 -0.14 0.05 0.00 -1.21 0.00 0.00 43.02 41.54 1n63 s PHE 659 CO 0.57 -0.89 0.72 0.20 -1.34 0.00 0.00 175.22 174.49 1n63 s GLY 660 N -3.11 -0.35 -0.18 1.99 0.00 -0.67 -0.78 107.32 104.22 1n63 s GLY 660 Ca 0.30 0.20 -0.03 0.00 0.00 0.00 0.00 44.72 45.19 1n63 s GLY 660 CO 0.12 0.06 0.03 0.00 0.00 0.00 0.00 173.10 173.32 1n63 s ALA 661 N -3.68 0.97 -0.07 3.20 0.00 -0.19 -1.46 121.76 120.52 1n63 s ALA 661 Ca 0.07 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.43 1n63 s ALA 661 Cb -0.03 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 1n63 s ALA 661 CO -0.03 -1.11 -0.22 0.71 0.00 0.00 0.00 175.76 175.12 1n63 s TYR 662 N 1.87 2.55 -0.06 0.00 1.51 0.30 -1.56 117.35 121.96 1n63 s TYR 662 Ca -0.00 -0.68 0.03 0.00 -1.01 0.00 0.00 57.07 55.40 1n63 s TYR 662 Cb -0.17 -1.66 0.01 0.00 -0.11 0.00 0.00 41.96 40.04 1n63 s TYR 662 CO -0.08 -0.19 -0.13 -0.06 -1.11 0.00 0.00 175.55 173.98 1n63 s PHE 663 N -0.09 1.50 -0.10 2.71 0.40 -0.24 -1.06 117.98 121.11 1n63 s PHE 663 Ca -0.05 -0.53 0.03 0.00 -0.60 0.00 0.00 56.93 55.79 1n63 s PHE 663 Cb -0.14 -1.08 0.00 0.00 0.51 0.00 0.00 43.02 42.31 1n63 s PHE 663 CO 0.04 -0.25 -0.21 0.00 0.70 0.00 0.00 175.22 175.50 1n63 s ILE 665 N 0.52 4.21 -0.06 0.00 1.09 -0.05 -0.17 121.20 126.74 1n63 s ILE 665 Ca -0.15 -0.23 0.03 0.00 -1.10 0.00 0.00 60.65 59.21 1n63 s ILE 665 Cb -0.17 -2.91 0.01 0.00 -1.06 0.00 0.00 42.46 38.32 1n63 s ILE 665 CO 0.05 0.42 -0.16 -0.32 -0.10 0.00 0.00 174.94 174.83 1n63 s MET 666 N 0.95 1.99 -0.08 2.79 1.75 -0.24 0.21 119.30 126.67 1n63 s MET 666 Ca 0.02 -0.57 -0.00 0.00 -1.25 0.00 0.00 55.69 53.89 1n63 s MET 666 Cb -0.14 -1.62 -0.03 0.00 2.84 0.00 0.00 34.83 35.87 1n63 s MET 666 CO 0.02 0.13 -0.05 -0.51 -0.65 0.00 0.00 175.02 173.96 1n63 s ASP 667 N 0.39 4.79 -0.07 1.11 1.01 -0.72 -0.49 116.67 122.70 1n63 s ASP 667 Ca -0.12 0.00 0.01 0.00 0.71 0.00 0.00 52.55 53.16 1n63 s ASP 667 Cb -0.15 -1.30 0.02 0.00 1.01 0.00 0.00 42.92 42.50 1n63 s ASP 667 CO 0.04 0.35 -0.09 -0.63 0.21 0.00 0.00 175.17 175.05 1n63 s ILE 668 N -0.71 0.90 -0.51 0.77 1.01 0.09 -0.32 121.20 122.44 1n63 s ILE 668 Ca 0.11 -0.31 -0.26 0.00 0.00 0.00 0.00 60.65 60.19 1n63 s ILE 668 Cb -0.11 -0.88 0.03 0.00 0.01 0.00 0.00 42.46 41.51 1n63 s ILE 668 CO 0.02 0.32 1.00 -0.62 0.00 0.00 0.00 174.94 175.66 1n63 s ASP 669 N 0.99 6.46 0.58 3.58 -1.08 -0.13 -1.12 116.67 125.95 1n63 s ASP 669 Ca -0.09 0.03 0.36 0.00 -0.52 0.00 0.00 52.55 52.33 1n63 s ASP 669 Cb -0.15 -2.48 1.69 0.00 -1.46 0.00 0.00 42.92 40.52 1n63 s ASP 669 CO 0.00 -1.20 2.11 -0.37 0.52 0.00 0.00 175.17 176.23 1n63 h VAL 670 N 6.10 0.11 0.00 1.11 -1.51 -1.70 0.48 116.25 120.85 1n63 h VAL 670 Ca -0.25 -0.39 -0.12 0.00 -1.23 0.00 0.00 66.70 64.71 1n63 h VAL 670 Cb 1.07 1.34 -0.02 0.00 -2.13 0.00 0.00 31.29 31.56 1n63 h VAL 670 CO 1.09 0.03 -0.65 0.44 -1.23 0.00 0.00 177.57 177.25 1n63 h ASP 671 N 0.00 0.00 0.00 4.19 3.32 -1.92 -3.35 116.42 118.67 1n63 h ASP 671 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1n63 h ASP 671 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1n63 h ASP 671 CO 0.00 0.55 -1.14 0.35 -1.72 0.00 0.00 179.24 177.28 1n63 n THR 672 N -3.19 0.00 -0.99 0.35 -2.24 -1.17 -4.99 114.28 102.05 1n63 n THR 672 Ca 0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1n63 n THR 672 Cb 0.76 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1n63 n THR 672 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n63 n GLY 673 N 1.73 0.87 3.68 3.38 0.00 0.15 -4.50 105.19 110.50 1n63 n GLY 673 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1n63 n GLY 673 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n63 s VAL 674 N -3.51 4.67 -0.07 1.61 1.01 -1.21 -4.15 120.40 118.74 1n63 s VAL 674 Ca 0.00 1.96 -0.04 0.00 0.00 0.00 0.00 61.98 63.90 1n63 s VAL 674 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1n63 s VAL 674 CO 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 175.10 175.15 1n63 s ALA 675 N 2.39 3.68 -0.08 5.51 0.00 -1.26 -0.96 121.76 131.05 1n63 s ALA 675 Ca 0.49 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.68 1n63 s ALA 675 Cb -0.18 -1.75 0.03 0.00 0.00 0.00 0.00 23.12 21.21 1n63 s ALA 675 CO 0.15 0.65 -0.01 0.21 0.00 0.00 0.00 175.76 176.76 1n63 s LYS 676 N -1.29 0.73 0.07 0.00 2.20 0.56 -5.00 119.74 117.02 1n63 s LYS 676 Ca 0.18 0.06 -0.31 0.00 -0.36 0.00 0.00 55.97 55.54 1n63 s LYS 676 Cb -0.12 -1.04 -0.08 0.00 -1.51 0.00 0.00 37.83 35.08 1n63 s LYS 676 CO 0.08 -0.29 1.63 0.99 -0.36 0.00 0.00 175.35 177.40 1n63 s THR 677 N 1.90 3.05 -0.11 3.43 2.01 -1.26 -1.75 115.64 122.90 1n63 s THR 677 Ca 0.04 0.52 -0.21 0.00 0.31 0.00 0.00 61.69 62.36 1n63 s THR 677 Cb -0.12 -3.33 -0.27 0.00 0.01 0.00 0.00 72.50 68.79 1n63 s THR 677 CO -0.05 0.00 0.63 -0.09 -0.69 0.00 0.00 174.62 174.41 1n63 h ARG 678 N 8.19 0.17 -2.48 4.92 2.43 -0.59 -3.48 114.38 123.54 1n63 h ARG 678 Ca -0.42 -0.29 -0.09 0.00 -0.81 0.00 0.00 59.98 58.36 1n63 h ARG 678 Cb 1.20 0.11 -0.22 0.00 -0.42 0.00 0.00 29.97 30.64 1n63 h ARG 678 CO 0.93 1.14 -0.09 0.50 -1.51 0.00 0.00 179.97 180.94 1n63 s ARG 679 N -2.40 0.66 -0.14 0.20 3.52 -1.09 -4.99 118.95 114.70 1n63 s ARG 679 Ca -0.20 0.59 -0.02 0.00 -0.13 0.00 0.00 55.73 55.97 1n63 s ARG 679 Cb 0.02 0.32 0.05 0.00 -1.56 0.00 0.00 34.95 33.78 1n63 s ARG 679 CO 0.74 -0.11 0.03 0.12 -0.81 0.00 0.00 175.30 175.27 1n63 s PHE 680 N -0.02 0.81 -0.19 5.12 2.19 -1.26 -0.87 117.98 123.77 1n63 s PHE 680 Ca -0.02 -0.53 -0.04 0.00 0.33 0.00 0.00 56.93 56.67 1n63 s PHE 680 Cb -0.03 -0.91 -0.02 0.00 -1.31 0.00 0.00 43.02 40.75 1n63 s PHE 680 CO 0.02 -0.49 -0.04 -0.47 1.83 0.00 0.00 175.22 176.07 1n63 s TYR 681 N 1.93 2.98 -0.27 10.12 5.04 0.34 -1.46 117.35 136.03 1n63 s TYR 681 Ca 0.02 -0.58 0.01 0.00 -2.44 0.00 0.00 57.07 54.07 1n63 s TYR 681 Cb -0.15 -2.03 0.08 0.00 0.35 0.00 0.00 41.96 40.21 1n63 s TYR 681 CO -0.07 -0.28 0.01 0.00 -1.34 0.00 0.00 175.55 173.87 1n63 s ALA 682 N 0.91 1.98 -0.23 3.97 0.00 0.22 -1.08 121.76 127.53 1n63 s ALA 682 Ca -0.00 -1.61 -0.15 0.00 0.00 0.00 0.00 51.96 50.20 1n63 s ALA 682 Cb -0.15 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 1n63 s ALA 682 CO 0.01 -1.39 0.35 -1.17 0.00 0.00 0.00 175.76 173.56 1n63 s LEU 683 N 1.38 4.11 -0.03 0.00 0.20 -0.60 -0.89 118.68 122.85 1n63 s LEU 683 Ca 0.01 0.38 0.07 0.00 0.69 0.00 0.00 54.13 55.29 1n63 s LEU 683 Cb -0.18 -2.42 -0.02 0.00 -0.43 0.00 0.00 46.19 43.14 1n63 s LEU 683 CO -0.11 -0.08 -0.25 -1.81 -0.29 0.00 0.00 176.35 173.81 1n63 s ASP 684 N 1.21 2.96 -0.31 3.68 1.01 -0.83 -1.02 116.67 123.38 1n63 s ASP 684 Ca 0.16 -0.47 0.02 0.00 0.71 0.00 0.00 52.55 52.97 1n63 s ASP 684 Cb -0.15 -0.44 0.09 0.00 1.01 0.00 0.00 42.92 43.43 1n63 s ASP 684 CO 0.08 0.29 0.03 -0.62 0.21 0.00 0.00 175.17 175.17 1n63 s ASP 685 N -0.49 4.39 -0.34 0.27 -1.08 0.04 -3.39 116.67 116.07 1n63 s ASP 685 Ca 0.07 -1.79 0.06 0.00 -0.52 0.00 0.00 52.55 50.37 1n63 s ASP 685 Cb -0.11 -1.34 0.46 0.00 -1.46 0.00 0.00 42.92 40.48 1n63 s ASP 685 CO 0.00 -0.35 1.38 0.00 0.52 0.00 0.00 175.17 176.73 1n63 n GLY 687 N -0.89 0.71 3.67 0.00 0.00 -1.24 -0.79 105.19 106.66 1n63 n GLY 687 Ca 0.41 -0.73 -0.45 0.00 0.00 0.00 0.00 46.02 45.25 1n63 n GLY 687 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1n63 n THR 688 N 0.00 0.61 -3.59 2.61 -1.04 -0.84 -4.59 114.28 107.44 1n63 n THR 688 Ca 0.00 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.05 61.45 1n63 n THR 688 Cb 0.00 -1.50 -0.11 0.00 -1.82 0.00 0.00 70.33 66.90 1n63 n THR 688 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1n63 s ARG 689 N 0.06 2.77 0.04 -2.82 0.52 -1.26 -4.42 118.95 113.84 1n63 s ARG 689 Ca 0.72 -1.18 -0.19 0.00 -0.52 0.00 0.00 55.73 54.56 1n63 s ARG 689 Cb -0.66 -3.75 -0.16 0.00 0.52 0.00 0.00 34.95 30.90 1n63 s ARG 689 CO 0.45 -0.77 1.28 0.82 0.02 0.00 0.00 175.30 177.11 1n63 h ILE 690 N 5.93 1.37 -2.35 1.52 2.04 -1.94 -3.29 117.51 120.78 1n63 h ILE 690 Ca -0.25 -1.58 -0.45 0.00 1.00 0.00 0.00 64.86 63.58 1n63 h ILE 690 Cb 1.10 2.05 -0.36 0.00 -0.74 0.00 0.00 36.82 38.87 1n63 h ILE 690 CO 0.69 0.47 -0.73 0.21 0.00 0.00 0.00 178.15 178.79 1n63 s ASN 691 N -6.40 2.30 0.51 1.72 3.84 -1.26 -0.02 114.94 115.63 1n63 s ASN 691 Ca -0.14 -1.43 0.21 0.00 0.21 0.00 0.00 52.86 51.72 1n63 s ASN 691 Cb 0.05 0.10 1.29 0.00 -0.55 0.00 0.00 41.25 42.15 1n63 s ASN 691 CO 0.79 -0.35 2.02 -0.65 -2.79 0.00 0.00 177.10 176.12 1n63 h PRO 692 N 7.70 0.09 -0.25 0.43 0.11 -1.79 -1.44 132.00 136.86 1n63 h PRO 692 Ca -0.06 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 1n63 h PRO 692 Cb 1.03 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1n63 h PRO 692 CO 0.31 0.06 -0.07 1.98 -0.21 0.00 0.00 178.00 180.07 1n63 h MET 693 N 0.09 0.48 -0.47 1.05 1.85 -1.92 -1.57 114.93 114.45 1n63 h MET 693 Ca 0.22 -0.19 -0.05 0.00 -0.61 0.00 0.00 59.70 59.06 1n63 h MET 693 Cb 0.73 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.72 1n63 h MET 693 CO -0.02 0.72 0.09 0.82 -0.40 0.00 0.00 176.91 178.11 1n63 h ILE 694 N 0.22 1.24 -0.32 1.77 2.04 -1.78 -2.06 117.51 118.63 1n63 h ILE 694 Ca 0.06 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.05 1n63 h ILE 694 Cb 0.54 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1n63 h ILE 694 CO 0.03 0.31 0.20 0.40 0.00 0.00 0.00 178.15 179.09 1n63 h ILE 695 N 0.64 1.05 -0.60 -0.67 2.04 -1.22 -1.02 117.51 117.74 1n63 h ILE 695 Ca 0.14 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.90 1n63 h ILE 695 Cb 0.37 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1n63 h ILE 695 CO 0.01 0.07 0.35 -0.08 0.00 0.00 0.00 178.15 178.50 1n63 h GLU 696 N 0.41 0.67 -0.87 2.37 4.81 -1.13 -0.78 114.58 120.06 1n63 h GLU 696 Ca 0.12 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1n63 h GLU 696 Cb -0.02 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 1n63 h GLU 696 CO -0.05 0.44 0.53 0.78 -0.73 0.00 0.00 179.01 179.98 1n63 h GLY 697 N 0.69 1.26 1.02 1.92 0.00 -0.95 -0.43 103.07 106.57 1n63 h GLY 697 Ca 0.25 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1n63 h GLY 697 CO -0.12 0.50 0.57 1.46 0.00 0.00 0.00 176.54 178.95 1n63 h GLN 698 N 1.20 1.26 -0.32 4.80 1.08 -0.46 -1.29 115.11 121.39 1n63 h GLN 698 Ca 0.31 -0.11 -0.09 0.00 -1.45 0.00 0.00 58.65 57.32 1n63 h GLN 698 Cb -0.06 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.10 1n63 h GLN 698 CO -0.06 0.88 -0.14 0.28 -0.95 0.00 0.00 178.83 178.83 1n63 h VAL 699 N 1.28 1.29 -0.69 -0.54 2.07 -0.69 -1.03 116.25 117.94 1n63 h VAL 699 Ca 0.33 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1n63 h VAL 699 Cb -0.06 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1n63 h VAL 699 CO -0.06 0.40 0.45 0.45 0.02 0.00 0.00 177.57 178.83 1n63 h HIS 700 N 0.42 0.85 -0.46 1.57 3.86 -0.90 0.37 115.15 120.86 1n63 h HIS 700 Ca 0.07 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.18 1n63 h HIS 700 Cb 0.67 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1n63 h HIS 700 CO 0.06 0.53 -0.20 0.78 0.86 0.00 0.00 177.93 179.96 1n63 h GLY 701 N 0.92 1.01 1.68 2.45 0.00 -1.12 -2.48 103.07 105.52 1n63 h GLY 701 Ca 0.25 -0.88 -0.16 0.00 0.00 0.00 0.00 47.33 46.54 1n63 h GLY 701 CO -0.06 0.80 -0.66 -1.33 0.00 0.00 0.00 176.54 175.29 1n63 h GLY 702 N 0.91 0.35 1.68 4.60 0.00 -0.75 -1.83 103.07 108.04 1n63 h GLY 702 Ca 0.11 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 1n63 h GLY 702 CO 0.06 0.42 -0.33 1.41 0.00 0.00 0.00 176.54 178.10 1n63 h LEU 703 N 0.23 0.37 -0.49 3.11 3.38 -0.91 -0.94 115.31 120.06 1n63 h LEU 703 Ca -0.02 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 1n63 h LEU 703 Cb 1.20 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1n63 h LEU 703 CO 0.11 0.68 -0.09 0.74 0.09 0.00 0.00 178.44 179.97 1n63 h THR 704 N 0.31 1.27 -0.53 0.22 2.02 -1.19 -0.28 112.91 114.74 1n63 h THR 704 Ca 0.04 -1.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.00 1n63 h THR 704 Cb 0.74 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1n63 h THR 704 CO 0.06 0.42 0.32 -0.33 0.37 0.00 0.00 175.52 176.37 1n63 h GLU 705 N 0.79 0.72 -0.69 6.66 5.08 -1.07 -0.81 114.58 125.26 1n63 h GLU 705 Ca 0.13 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1n63 h GLU 705 Cb 0.64 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1n63 h GLU 705 CO 0.04 0.52 0.44 0.00 -1.00 0.00 0.00 179.01 179.01 1n63 h ALA 706 N 1.16 0.90 -0.48 3.43 0.00 -0.83 0.10 119.26 123.54 1n63 h ALA 706 Ca 0.19 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1n63 h ALA 706 Cb -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1n63 h ALA 706 CO -0.04 0.23 0.29 0.35 0.00 0.00 0.00 179.25 180.09 1n63 h PHE 707 N 0.87 0.55 -0.33 0.00 3.57 -0.85 -0.38 116.94 120.37 1n63 h PHE 707 Ca 0.27 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 1n63 h PHE 707 Cb -0.01 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1n63 h PHE 707 CO -0.04 0.33 0.19 0.00 -2.23 0.00 0.00 178.31 176.56 1n63 h ALA 708 N 1.20 0.42 -0.27 2.41 0.00 -0.27 -0.96 119.26 121.79 1n63 h ALA 708 Ca 0.19 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1n63 h ALA 708 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1n63 h ALA 708 CO -0.07 -0.06 0.01 0.28 0.00 0.00 0.00 179.25 179.41 1n63 h VAL 709 N 0.42 1.25 -0.01 0.00 2.07 -0.62 0.16 116.25 119.52 1n63 h VAL 709 Ca 0.12 -0.88 -0.13 0.00 0.82 0.00 0.00 66.70 66.63 1n63 h VAL 709 Cb 0.04 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1n63 h VAL 709 CO -0.02 0.28 -0.60 0.00 0.02 0.00 0.00 177.57 177.25 1n63 h ALA 710 N 0.83 0.99 0.00 1.67 0.00 -1.00 -3.35 119.26 118.41 1n63 h ALA 710 Ca 0.08 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1n63 h ALA 710 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1n63 h ALA 710 CO 0.01 0.75 -0.63 -1.33 0.00 0.00 0.00 179.25 178.05 1n63 n MET 711 N -3.83 2.92 0.00 0.00 2.00 -0.37 -0.19 117.12 117.66 1n63 n MET 711 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.68 1n63 n MET 711 Cb 0.60 -1.07 0.00 0.00 0.00 0.00 0.00 33.22 32.76 1n63 n MET 711 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1n63 n GLY 712 N 1.32 0.08 3.79 3.03 0.00 -0.49 -2.36 105.19 110.56 1n63 n GLY 712 Ca 0.02 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1n63 n GLY 712 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n63 s GLN 713 N -0.86 3.92 -0.10 1.61 -0.21 0.44 -4.55 119.66 119.91 1n63 s GLN 713 Ca 0.00 1.50 -0.30 0.00 0.02 0.00 0.00 55.36 56.58 1n63 s GLN 713 Cb 0.00 -2.33 0.12 0.00 1.00 0.00 0.00 33.01 31.80 1n63 s GLN 713 CO 0.00 -0.35 0.94 -1.83 -2.12 0.00 0.00 175.29 171.93 1n63 s GLU 714 N -2.84 0.70 -0.10 2.91 -1.05 -1.26 -4.75 118.70 112.30 1n63 s GLU 714 Ca 0.63 0.00 0.04 0.00 -0.15 0.00 0.00 54.97 55.49 1n63 s GLU 714 Cb -0.21 0.33 -0.00 0.00 -0.44 0.00 0.00 34.13 33.80 1n63 s GLU 714 CO 0.26 -0.25 -0.23 0.42 0.95 0.00 0.00 175.26 176.41 1n63 s ILE 715 N -1.80 2.14 0.30 1.83 -1.09 -0.65 -4.81 121.20 117.11 1n63 s ILE 715 Ca -0.00 -0.99 0.08 0.00 -2.23 0.00 0.00 60.65 57.51 1n63 s ILE 715 Cb -0.01 -1.82 -0.06 0.00 -1.58 0.00 0.00 42.46 38.99 1n63 s ILE 715 CO -0.01 0.56 -0.09 -0.13 -1.23 0.00 0.00 174.94 174.04 1n63 s ARG 716 N 0.36 1.64 0.01 2.79 0.52 -0.94 -4.61 118.95 118.72 1n63 s ARG 716 Ca -0.18 -1.83 0.05 0.00 -0.52 0.00 0.00 55.73 53.25 1n63 s ARG 716 Cb -0.18 -1.40 -0.01 0.00 0.52 0.00 0.00 34.95 33.88 1n63 s ARG 716 CO 0.08 0.10 -0.14 0.71 0.02 0.00 0.00 175.30 176.07 1n63 s TYR 717 N -2.83 1.27 0.67 -0.53 1.51 -1.26 -0.03 117.35 116.15 1n63 s TYR 717 Ca 0.30 -0.28 -0.02 0.00 -1.01 0.00 0.00 57.07 56.06 1n63 s TYR 717 Cb 0.02 -0.79 0.14 0.00 -0.11 0.00 0.00 41.96 41.22 1n63 s TYR 717 CO 0.13 0.00 0.92 -0.40 -1.11 0.00 0.00 175.55 175.10 1n63 n ASP 718 N 2.42 1.04 0.26 2.29 5.68 -0.57 -4.92 116.55 122.75 1n63 n ASP 718 Ca -0.16 -1.92 0.13 0.00 -0.50 0.00 0.00 54.79 52.34 1n63 n ASP 718 Cb 0.55 -0.61 0.73 0.00 -1.14 0.00 0.00 41.12 40.64 1n63 n ASP 718 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1n63 h GLU 719 N 0.00 0.00 -0.01 0.11 5.08 -2.00 -0.01 114.58 117.75 1n63 h GLU 719 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1n63 h GLU 719 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1n63 h GLU 719 CO 0.31 0.12 -0.08 1.04 -1.00 0.00 0.00 179.01 179.39 1n63 n GLN 720 N -3.67 1.28 -0.73 2.33 3.00 -1.26 -4.81 117.38 113.53 1n63 n GLN 720 Ca -0.02 -0.68 0.00 0.00 -0.01 0.00 0.00 57.00 56.30 1n63 n GLN 720 Cb 0.23 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.99 1n63 n GLN 720 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n63 n GLY 721 N 1.21 0.63 3.74 1.08 0.00 -0.02 -4.53 105.19 107.31 1n63 n GLY 721 Ca 0.17 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1n63 n GLY 721 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n63 s ASN 722 N -2.01 6.95 -0.07 1.61 0.01 -1.26 -4.51 114.94 115.67 1n63 s ASN 722 Ca 0.00 2.37 -0.28 0.00 -0.71 0.00 0.00 52.86 54.24 1n63 s ASN 722 Cb 0.00 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 1n63 s ASN 722 CO 0.00 -0.47 0.90 0.54 -1.51 0.00 0.00 177.10 176.56 1n63 s VAL 723 N -0.05 4.89 -0.06 1.60 0.11 -1.26 -1.52 120.40 124.11 1n63 s VAL 723 Ca 0.55 1.85 0.02 0.00 -2.93 0.00 0.00 61.98 61.47 1n63 s VAL 723 Cb -0.35 -4.23 -0.03 0.00 -1.53 0.00 0.00 36.38 30.24 1n63 s VAL 723 CO 0.39 0.12 -0.11 -0.76 -3.33 0.00 0.00 175.10 171.40 1n63 s LEU 724 N 1.42 2.90 -0.72 2.54 1.43 0.96 -4.67 118.68 122.54 1n63 s LEU 724 Ca 0.45 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1n63 s LEU 724 Cb -0.19 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.42 1n63 s LEU 724 CO 0.21 0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.74 1n63 n GLY 725 N 2.35 0.87 2.58 -3.19 0.00 -1.26 -2.21 105.19 104.33 1n63 n GLY 725 Ca -0.17 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 1n63 n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 n ALA 726 N 1.01 6.44 -3.66 4.61 0.00 -1.26 -3.32 120.51 124.33 1n63 n ALA 726 Ca -0.07 -4.28 -0.09 0.00 0.00 0.00 0.00 53.44 49.00 1n63 n ALA 726 Cb 0.24 -2.42 -0.02 0.00 0.00 0.00 0.00 19.45 17.25 1n63 n ALA 726 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1n63 s SER 727 N -0.51 -0.39 0.00 0.00 1.04 -1.26 -4.50 113.70 108.08 1n63 s SER 727 Ca 0.47 -0.32 0.14 0.00 0.48 0.00 0.00 55.95 56.73 1n63 s SER 727 Cb 0.21 0.65 0.76 0.00 0.10 0.00 0.00 66.02 67.74 1n63 s SER 727 CO -0.14 -1.14 1.37 0.49 0.98 0.00 0.00 173.24 174.80 1n63 n PHE 728 N -0.42 0.00 0.22 5.02 3.72 -1.26 -0.74 117.46 124.00 1n63 n PHE 728 Ca -0.10 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.36 1n63 n PHE 728 Cb 0.62 -0.22 0.50 0.00 -0.94 0.00 0.00 39.48 39.44 1n63 n PHE 728 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1n63 h MET 729 N 0.00 0.00 0.00 -1.08 2.86 -1.95 -3.39 114.93 111.37 1n63 h MET 729 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1n63 h MET 729 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1n63 h MET 729 CO 0.00 0.19 -0.67 -0.25 1.06 0.00 0.00 176.91 177.24 1n63 n ASP 730 N -4.31 3.18 -4.63 1.22 8.00 -0.74 -5.03 116.55 114.24 1n63 n ASP 730 Ca -0.02 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.05 1n63 n ASP 730 Cb 0.25 0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 1n63 n ASP 730 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1n63 s PHE 731 N -1.67 2.28 -0.61 1.24 5.36 0.08 -4.90 117.98 119.76 1n63 s PHE 731 Ca 0.00 0.63 -0.27 0.00 -0.96 0.00 0.00 56.93 56.32 1n63 s PHE 731 Cb 0.00 -3.93 0.01 0.00 -0.34 0.00 0.00 43.02 38.76 1n63 s PHE 731 CO 0.00 -2.63 1.46 0.12 -1.46 0.00 0.00 175.22 172.71 1n63 s PHE 732 N 4.81 2.18 -0.21 10.12 5.36 -1.26 -4.72 117.98 134.25 1n63 s PHE 732 Ca 0.67 0.41 -0.04 0.00 -0.96 0.00 0.00 56.93 57.01 1n63 s PHE 732 Cb -0.23 -4.40 -0.01 0.00 -0.34 0.00 0.00 43.02 38.04 1n63 s PHE 732 CO 0.27 -2.06 -0.04 -0.51 -1.46 0.00 0.00 175.22 171.41 1n63 s LEU 733 N 6.47 2.91 0.53 6.12 1.43 -1.26 -4.53 118.68 130.34 1n63 s LEU 733 Ca 0.51 -0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 53.04 1n63 s LEU 733 Cb -0.11 -1.74 -0.07 0.00 0.03 0.00 0.00 46.19 44.31 1n63 s LEU 733 CO 0.22 -0.01 1.09 -2.16 0.23 0.00 0.00 176.35 175.72 1n63 s PRO 734 N 1.39 3.52 0.70 1.29 0.04 -1.26 -5.04 135.00 135.64 1n63 s PRO 734 Ca 0.05 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.60 1n63 s PRO 734 Cb -0.14 -2.04 0.13 0.00 0.04 0.00 0.00 34.50 32.49 1n63 s PRO 734 CO -0.03 -0.69 0.96 0.95 0.04 0.00 0.00 177.00 178.24 1n63 s THR 735 N -1.91 2.02 0.18 1.26 -4.23 -1.26 -4.91 115.64 106.79 1n63 s THR 735 Ca 0.70 -0.74 0.34 0.00 -1.18 0.00 0.00 61.69 60.81 1n63 s THR 735 Cb -0.20 -2.28 0.36 0.00 1.34 0.00 0.00 72.50 71.72 1n63 s THR 735 CO 0.25 0.00 2.04 0.00 -0.54 0.00 0.00 174.62 176.37 1n63 h ALA 736 N -0.38 1.00 0.04 3.99 0.00 -1.96 -2.09 119.26 119.86 1n63 h ALA 736 Ca -0.32 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.34 1n63 h ALA 736 Cb 1.27 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.08 1n63 h ALA 736 CO 0.38 0.00 -0.99 0.28 0.00 0.00 0.00 179.25 178.92 1n63 h VAL 737 N 0.00 1.33 0.01 0.00 2.07 -2.02 -3.30 116.25 114.34 1n63 h VAL 737 Ca 0.00 -2.28 -0.21 0.00 0.82 0.00 0.00 66.70 65.03 1n63 h VAL 737 Cb 0.19 2.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 1n63 h VAL 737 CO 0.00 0.69 -1.00 -0.33 0.02 0.00 0.00 177.57 176.95 1n63 h GLU 738 N 0.21 0.03 -6.34 1.57 3.07 -1.83 -3.46 114.58 107.82 1n63 h GLU 738 Ca -0.14 -0.04 -0.55 0.00 -0.50 0.00 0.00 59.36 58.13 1n63 h GLU 738 Cb 1.67 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.59 1n63 h GLU 738 CO 0.19 1.00 0.85 0.99 -1.40 0.00 0.00 179.01 180.64 1n63 s THR 739 N -2.76 3.79 0.89 1.13 2.01 -0.83 -4.98 115.64 114.90 1n63 s THR 739 Ca 0.00 1.14 -0.10 0.00 0.31 0.00 0.00 61.69 63.04 1n63 s THR 739 Cb 0.10 -3.73 0.13 0.00 0.01 0.00 0.00 72.50 69.01 1n63 s THR 739 CO 0.82 -0.02 1.14 -2.84 -0.69 0.00 0.00 174.62 173.04 1n63 s PRO 740 N 2.60 1.19 0.30 4.92 0.02 -1.26 -4.97 135.00 137.80 1n63 s PRO 740 Ca 0.63 1.50 -0.29 0.00 0.02 0.00 0.00 61.00 62.86 1n63 s PRO 740 Cb -0.30 -1.75 -0.10 0.00 0.02 0.00 0.00 34.50 32.37 1n63 s PRO 740 CO 0.25 -2.49 1.13 0.15 -0.33 0.00 0.00 177.00 175.71 1n63 s LYS 741 N -4.68 4.55 -0.12 5.54 1.02 -1.26 -5.05 119.74 119.74 1n63 s LYS 741 Ca 0.66 1.84 -0.01 0.00 0.02 0.00 0.00 55.97 58.48 1n63 s LYS 741 Cb -0.22 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 1n63 s LYS 741 CO 0.58 0.12 -0.07 -1.58 -0.92 0.00 0.00 175.35 173.47 1n63 s TRP 742 N -1.20 2.93 -0.21 3.18 0.52 -1.26 -4.43 118.94 118.48 1n63 s TRP 742 Ca 0.46 -0.26 -0.04 0.00 0.02 0.00 0.00 56.10 56.28 1n63 s TRP 742 Cb -0.32 -1.83 -0.02 0.00 -1.15 0.00 0.00 33.47 30.15 1n63 s TRP 742 CO 0.42 0.06 -0.02 -2.00 0.02 0.00 0.00 176.95 175.42 1n63 s GLU 743 N -0.09 3.50 0.20 4.98 2.12 -0.53 -5.06 118.70 123.82 1n63 s GLU 743 Ca 0.01 -0.58 0.11 0.00 0.36 0.00 0.00 54.97 54.87 1n63 s GLU 743 Cb -0.13 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 1n63 s GLU 743 CO 0.03 -0.08 -0.20 0.95 -0.54 0.00 0.00 175.26 175.42 1n63 s THR 744 N 1.21 2.57 0.31 -1.70 -4.23 -1.26 -0.61 115.64 111.93 1n63 s THR 744 Ca 0.03 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.42 1n63 s THR 744 Cb -0.14 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.45 1n63 s THR 744 CO -0.00 -0.16 0.58 -0.62 -0.54 0.00 0.00 174.62 173.88 1n63 s ASP 745 N -2.84 0.20 0.15 3.99 -1.08 -0.07 -4.91 116.67 112.11 1n63 s ASP 745 Ca 0.23 -1.10 -0.19 0.00 -0.52 0.00 0.00 52.55 50.97 1n63 s ASP 745 Cb -0.08 0.69 0.05 0.00 -1.46 0.00 0.00 42.92 42.12 1n63 s ASP 745 CO 0.12 -1.34 0.51 -0.72 0.52 0.00 0.00 175.17 174.26 1n63 s TYR 746 N -3.33 -0.35 0.28 -5.34 1.13 -1.26 -1.97 117.35 106.50 1n63 s TYR 746 Ca 0.22 0.08 0.04 0.00 -1.41 0.00 0.00 57.07 55.99 1n63 s TYR 746 Cb -0.02 0.42 -0.06 0.00 -1.10 0.00 0.00 41.96 41.20 1n63 s TYR 746 CO 0.13 -0.80 0.02 0.95 -2.51 0.00 0.00 175.55 173.34 1n63 s THR 747 N -3.79 1.15 -0.23 -3.49 -4.23 -1.22 -4.94 115.64 98.90 1n63 s THR 747 Ca 0.03 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1n63 s THR 747 Cb 0.00 -2.56 0.05 0.00 1.34 0.00 0.00 72.50 71.34 1n63 s THR 747 CO -0.11 -0.17 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.02 1n63 s VAL 748 N -3.33 1.75 -0.41 2.29 1.01 -1.26 -4.28 120.40 116.17 1n63 s VAL 748 Ca 0.32 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1n63 s VAL 748 Cb 0.07 -1.90 0.12 0.00 0.00 0.00 0.00 36.38 34.67 1n63 s VAL 748 CO 0.12 0.02 0.19 -0.89 0.00 0.00 0.00 175.10 174.54 1n63 s THR 749 N 1.31 1.54 0.81 3.92 2.01 -1.26 -4.94 115.64 119.03 1n63 s THR 749 Ca -0.05 -2.37 -0.14 0.00 0.31 0.00 0.00 61.69 59.44 1n63 s THR 749 Cb -0.18 -2.10 0.06 0.00 0.01 0.00 0.00 72.50 70.29 1n63 s THR 749 CO -0.07 -0.80 1.03 -2.65 -0.69 0.00 0.00 174.62 171.44 1n63 n PRO 750 N 3.86 0.16 -2.59 4.92 -0.02 -1.26 -3.59 135.00 136.47 1n63 n PRO 750 Ca 0.05 0.12 -0.43 0.00 -2.02 0.00 0.00 63.50 61.23 1n63 n PRO 750 Cb 0.37 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 1n63 n PRO 750 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1n63 s SER 751 N -2.01 7.11 0.37 2.55 0.15 -0.46 -4.76 113.70 116.64 1n63 s SER 751 Ca 0.71 1.56 0.14 0.00 0.70 0.00 0.00 55.95 59.05 1n63 s SER 751 Cb -0.29 -2.55 0.73 0.00 -1.71 0.00 0.00 66.02 62.20 1n63 s SER 751 CO 0.53 -0.61 1.82 -0.65 1.20 0.00 0.00 173.24 175.53 1n63 h PRO 752 N 7.49 0.00 0.00 5.44 0.11 -1.90 -3.06 132.00 140.08 1n63 h PRO 752 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1n63 h PRO 752 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1n63 h PRO 752 CO 0.92 0.38 -0.60 -2.39 -0.21 0.00 0.00 178.00 176.11 1n63 n HIS 753 N -4.02 0.40 -2.93 0.65 1.44 -1.26 -4.91 115.22 104.58 1n63 n HIS 753 Ca -0.02 0.12 -0.36 0.00 -2.01 0.00 0.00 57.72 55.45 1n63 n HIS 753 Cb 0.42 -0.55 -0.06 0.00 0.12 0.00 0.00 29.99 29.91 1n63 n HIS 753 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1n63 s HIS 754 N -3.13 3.62 0.57 -1.40 5.04 -1.16 -4.95 115.29 113.88 1n63 s HIS 754 Ca 0.07 1.58 0.28 0.00 -1.54 0.00 0.00 55.06 55.45 1n63 s HIS 754 Cb 0.14 -2.77 1.74 0.00 0.04 0.00 0.00 32.58 31.73 1n63 s HIS 754 CO 0.71 0.22 2.23 -1.35 -2.34 0.00 0.00 174.74 174.21 1n63 h PRO 755 N 3.09 0.00 0.00 2.88 0.11 -1.89 -1.73 132.00 134.45 1n63 h PRO 755 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1n63 h PRO 755 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1n63 h PRO 755 CO 0.65 0.01 -0.02 0.44 -0.21 0.00 0.00 178.00 178.87 1n63 n ILE 756 N -3.89 0.93 -0.96 4.15 -5.35 -1.26 -5.00 119.36 107.99 1n63 n ILE 756 Ca -0.03 -0.99 0.00 0.00 -0.27 0.00 0.00 62.75 61.46 1n63 n ILE 756 Cb 0.10 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 1n63 n ILE 756 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n63 n GLY 757 N -0.54 0.57 3.75 3.28 0.00 -0.65 -4.61 105.19 106.99 1n63 n GLY 757 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1n63 n GLY 757 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 s ALA 758 N -2.48 3.42 0.30 4.61 0.00 -1.26 -1.36 121.76 124.99 1n63 s ALA 758 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 51.96 52.17 1n63 s ALA 758 Cb 0.00 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 1n63 s ALA 758 CO 0.00 0.10 0.31 0.15 0.00 0.00 0.00 175.76 176.32 1n63 s LYS 759 N -0.03 2.96 0.85 0.00 1.02 0.03 -4.54 119.74 120.03 1n63 s LYS 759 Ca 0.35 -1.09 -0.12 0.00 0.02 0.00 0.00 55.97 55.13 1n63 s LYS 759 Cb -0.19 -2.63 0.10 0.00 -0.52 0.00 0.00 37.83 34.59 1n63 s LYS 759 CO 0.20 0.22 1.10 0.20 -0.92 0.00 0.00 175.35 176.14 1n63 s GLY 760 N -3.99 1.62 0.00 -3.33 0.00 -1.26 -4.81 107.32 95.55 1n63 s GLY 760 Ca 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.96 1n63 s GLY 760 CO 0.27 0.31 0.00 1.55 0.00 0.00 0.00 173.10 175.24 1n63 n VAL 761 N -3.67 0.00 0.25 1.40 3.14 -1.26 -4.66 118.33 113.52 1n63 n VAL 761 Ca 0.07 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.52 1n63 n VAL 761 Cb 0.56 0.11 0.60 0.00 -1.06 0.00 0.00 33.84 34.05 1n63 n VAL 761 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1n63 h GLY 762 N 0.00 0.00 0.78 7.55 0.00 -1.94 -1.69 103.07 107.78 1n63 h GLY 762 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n63 h GLY 762 CO 0.00 0.00 -1.05 1.18 0.00 0.00 0.00 176.54 176.67 1n63 n GLU 763 N -4.40 0.45 -0.28 4.80 1.02 -1.26 -4.44 120.64 116.53 1n63 n GLU 763 Ca -0.03 0.04 0.02 0.00 -0.02 0.00 0.00 57.16 57.17 1n63 n GLU 763 Cb 0.16 -1.69 0.09 0.00 -0.02 0.00 0.00 31.44 29.97 1n63 n GLU 763 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1n63 h SER 764 N 0.00 -0.84 -0.71 1.62 0.02 -1.63 -1.04 113.55 110.97 1n63 h SER 764 Ca 0.00 0.25 0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1n63 h SER 764 Cb 0.87 0.53 -0.04 0.00 0.14 0.00 0.00 62.40 63.90 1n63 h SER 764 CO 0.00 -0.27 0.47 1.55 -1.14 0.00 0.00 176.83 177.43 1n63 h PRO 765 N -0.02 0.89 -0.00 3.45 0.13 -1.78 -0.18 132.00 134.49 1n63 h PRO 765 Ca 0.37 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.44 1n63 h PRO 765 Cb 0.59 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.52 1n63 h PRO 765 CO -0.83 0.59 -0.02 1.25 -0.23 0.00 0.00 178.00 178.76 1n63 h HIS 766 N 0.92 0.03 -0.55 1.56 2.76 -1.31 -0.27 115.15 118.29 1n63 h HIS 766 Ca 0.27 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.53 1n63 h HIS 766 Cb -0.04 -0.00 -0.10 0.00 1.55 0.00 0.00 27.41 28.82 1n63 h HIS 766 CO -0.00 0.72 -0.06 0.28 -1.30 0.00 0.00 177.93 177.57 1n63 h VAL 767 N -0.67 0.51 0.08 5.26 2.07 -1.02 -2.49 116.25 120.00 1n63 h VAL 767 Ca -0.00 -0.02 -0.25 0.00 0.82 0.00 0.00 66.70 67.24 1n63 h VAL 767 Cb 0.72 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1n63 h VAL 767 CO 0.00 0.01 -1.19 1.23 0.02 0.00 0.00 177.57 177.64 1n63 h GLY 768 N 0.06 0.18 1.09 2.17 0.00 -1.13 -3.38 103.07 102.07 1n63 h GLY 768 Ca 0.27 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 46.98 1n63 h GLY 768 CO -0.50 0.41 -0.40 -1.33 0.00 0.00 0.00 176.54 174.72 1n63 h GLY 769 N 2.18 0.94 0.95 4.60 0.00 -0.61 -2.88 103.07 108.25 1n63 h GLY 769 Ca -0.10 -1.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.23 1n63 h GLY 769 CO 0.17 0.90 -0.02 -2.08 0.00 0.00 0.00 176.54 175.51 1n63 h VAL 770 N 0.65 0.99 -0.04 4.60 2.07 -1.63 -1.04 116.25 121.86 1n63 h VAL 770 Ca 0.05 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1n63 h VAL 770 Cb 0.99 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1n63 h VAL 770 CO 0.10 0.03 -0.14 -0.65 0.02 0.00 0.00 177.57 176.93 1n63 h PRO 771 N -0.11 0.06 -0.01 1.57 0.11 -1.77 -0.44 132.00 131.41 1n63 h PRO 771 Ca -0.01 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1n63 h PRO 771 Cb 0.09 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 1n63 h PRO 771 CO 0.01 0.20 0.00 0.00 -0.21 0.00 0.00 178.00 178.00 1n63 h PHE 773 N -0.20 -0.34 -0.74 0.00 0.04 -0.95 -0.92 116.94 113.83 1n63 h PHE 773 Ca 0.00 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1n63 h PHE 773 Cb 0.22 0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.45 1n63 h PHE 773 CO -0.00 -0.21 0.41 1.03 -0.60 0.00 0.00 178.31 178.94 1n63 h SER 774 N -0.37 0.90 -0.45 2.17 0.87 -1.05 -1.99 113.55 113.64 1n63 h SER 774 Ca -0.04 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.40 1n63 h SER 774 Cb 0.28 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1n63 h SER 774 CO 0.06 0.72 0.08 0.78 -0.53 0.00 0.00 176.83 177.94 1n63 h ASN 775 N 1.02 0.76 -0.36 6.23 2.35 -0.19 -0.26 115.58 125.14 1n63 h ASN 775 Ca 0.26 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1n63 h ASN 775 Cb 0.01 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1n63 h ASN 775 CO -0.04 0.78 0.14 0.00 -1.65 0.00 0.00 177.43 176.65 1n63 h ALA 776 N 1.32 0.47 -0.04 -0.83 0.00 -0.57 0.13 119.26 119.73 1n63 h ALA 776 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n63 h ALA 776 Cb 0.35 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1n63 h ALA 776 CO 0.01 0.08 0.02 0.28 0.00 0.00 0.00 179.25 179.63 1n63 h VAL 777 N 0.43 1.13 -0.81 0.00 2.07 -1.21 -1.26 116.25 116.60 1n63 h VAL 777 Ca 0.12 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1n63 h VAL 777 Cb 0.20 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1n63 h VAL 777 CO -0.01 0.11 0.54 0.78 0.02 0.00 0.00 177.57 179.01 1n63 h ASN 778 N -0.09 0.91 0.20 0.57 2.35 -1.00 -2.34 115.58 116.18 1n63 h ASN 778 Ca 0.01 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 1n63 h ASN 778 Cb 0.16 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1n63 h ASN 778 CO -0.00 0.64 -0.41 -0.78 -1.65 0.00 0.00 177.43 175.23 1n63 h ASP 779 N 1.07 0.30 -0.80 5.81 3.58 -0.54 -2.17 116.42 123.66 1n63 h ASP 779 Ca 0.31 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1n63 h ASP 779 Cb -0.06 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 1n63 h ASP 779 CO -0.08 0.68 0.49 0.00 -2.88 0.00 0.00 179.24 177.45 1n63 h ALA 780 N 1.34 1.02 -0.01 -0.78 0.00 -0.67 -2.53 119.26 117.62 1n63 h ALA 780 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1n63 h ALA 780 Cb 0.83 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1n63 h ALA 780 CO 0.07 0.47 -0.12 0.66 0.00 0.00 0.00 179.25 180.32 1n63 n TYR 781 N -4.48 0.00 -0.20 0.00 4.01 -1.11 -4.41 117.16 110.97 1n63 n TYR 781 Ca 0.08 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.81 1n63 n TYR 781 Cb 0.05 -0.05 0.23 0.00 -0.31 0.00 0.00 39.34 39.25 1n63 n TYR 781 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1n63 h ALA 782 N 4.06 1.39 0.00 -0.72 0.00 -0.93 -0.86 119.26 122.20 1n63 h ALA 782 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1n63 h ALA 782 Cb 0.52 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1n63 h ALA 782 CO 0.00 0.51 0.00 1.97 0.00 0.00 0.00 179.25 181.73 1n63 n PHE 783 N -4.38 0.82 0.50 0.00 -1.74 -1.26 -0.77 117.46 110.63 1n63 n PHE 783 Ca 0.07 0.37 0.11 0.00 -0.56 0.00 0.00 57.45 57.44 1n63 n PHE 783 Cb 0.09 -1.09 0.17 0.00 1.52 0.00 0.00 39.48 40.17 1n63 n PHE 783 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1n63 n LEU 784 N -2.29 3.20 -2.95 5.98 4.77 -0.35 -4.99 117.00 120.38 1n63 n LEU 784 Ca 0.00 -1.34 -0.19 0.00 -0.03 0.00 0.00 56.01 54.46 1n63 n LEU 784 Cb 0.15 -0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.14 1n63 n LEU 784 CO 0.16 0.65 0.19 0.59 -1.33 0.00 0.00 177.39 177.65 1n63 n ASN 785 N 1.35 -5.38 0.28 -1.43 3.02 0.05 -4.91 115.26 108.25 1n63 n ASN 785 Ca 0.17 -0.43 0.17 0.00 -0.03 0.00 0.00 54.58 54.46 1n63 n ASN 785 Cb 0.57 -4.10 0.78 0.00 -0.61 0.00 0.00 39.78 36.43 1n63 n ASN 785 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n63 h ALA 786 N 0.80 1.05 -0.52 5.41 0.00 -1.76 -3.50 119.26 120.74 1n63 h ALA 786 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1n63 h ALA 786 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1n63 h ALA 786 CO 0.44 0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1n63 n GLY 787 N -0.30 -1.00 3.67 0.00 0.00 -1.26 -4.70 105.19 101.60 1n63 n GLY 787 Ca -0.01 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 1n63 n GLY 787 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1n63 s HIS 788 N 0.00 2.70 -0.27 1.61 2.46 -1.26 -4.96 115.29 115.58 1n63 s HIS 788 Ca 0.00 0.84 -0.15 0.00 0.47 0.00 0.00 55.06 56.23 1n63 s HIS 788 Cb 0.00 -3.59 -0.04 0.00 -0.13 0.00 0.00 32.58 28.82 1n63 s HIS 788 CO 0.00 -2.17 0.37 0.42 -2.47 0.00 0.00 174.74 170.89 1n63 s ILE 789 N 3.39 5.18 0.24 0.89 1.01 -1.26 -5.07 121.20 125.58 1n63 s ILE 789 Ca 0.59 0.57 -0.30 0.00 0.00 0.00 0.00 60.65 61.52 1n63 s ILE 789 Cb -0.25 -3.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.43 1n63 s ILE 789 CO 0.19 0.16 1.09 -1.10 0.00 0.00 0.00 174.94 175.28 1n63 s GLN 790 N 2.03 4.65 0.91 2.79 -1.52 -1.26 -4.94 119.66 122.32 1n63 s GLN 790 Ca 0.15 1.75 -0.11 0.00 -1.95 0.00 0.00 55.36 55.20 1n63 s GLN 790 Cb -0.16 -3.23 0.14 0.00 -0.22 0.00 0.00 33.01 29.55 1n63 s GLN 790 CO 0.10 0.20 1.11 -1.64 -0.25 0.00 0.00 175.29 174.81 1n63 s MET 791 N -1.08 1.09 0.55 2.91 -1.94 -1.26 -4.61 119.30 114.96 1n63 s MET 791 Ca 0.46 1.29 -0.14 0.00 -1.71 0.00 0.00 55.69 55.58 1n63 s MET 791 Cb -0.31 -1.75 -0.06 0.00 2.01 0.00 0.00 34.83 34.72 1n63 s MET 791 CO 0.38 -2.50 0.99 -1.25 -0.01 0.00 0.00 175.02 172.64 1n63 s PRO 792 N -4.72 3.79 -0.92 2.03 0.04 -1.26 -4.76 135.00 129.20 1n63 s PRO 792 Ca 0.65 0.84 -0.02 0.00 0.04 0.00 0.00 61.00 62.52 1n63 s PRO 792 Cb -0.21 -2.12 0.30 0.00 0.04 0.00 0.00 34.50 32.51 1n63 s PRO 792 CO 0.58 -0.39 2.03 0.72 0.04 0.00 0.00 177.00 179.98 1n63 n HIS 793 N -2.07 2.77 -1.68 0.56 8.25 0.73 -4.83 115.22 118.95 1n63 n HIS 793 Ca 0.06 -2.42 -0.29 0.00 -0.26 0.00 0.00 57.72 54.81 1n63 n HIS 793 Cb 0.54 -1.25 0.16 0.00 1.12 0.00 0.00 29.99 30.56 1n63 n HIS 793 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1n63 s ASP 794 N -0.98 3.15 0.23 0.41 -4.77 -1.00 -4.75 116.67 108.95 1n63 s ASP 794 Ca 0.47 0.62 -0.02 0.00 -3.30 0.00 0.00 52.55 50.33 1n63 s ASP 794 Cb 0.32 -0.94 0.23 0.00 -1.09 0.00 0.00 42.92 41.45 1n63 s ASP 794 CO -0.27 -2.74 1.62 0.00 0.70 0.00 0.00 175.17 174.48 1n63 h ALA 795 N -1.64 0.89 -0.41 2.11 0.00 -1.85 -1.29 119.26 117.08 1n63 h ALA 795 Ca -0.47 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 53.95 1n63 h ALA 795 Cb 1.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1n63 h ALA 795 CO 0.50 0.63 -0.05 0.11 0.00 0.00 0.00 179.25 180.44 1n63 h TRP 796 N 0.50 0.83 -0.70 0.00 5.08 -1.87 0.20 115.95 120.00 1n63 h TRP 796 Ca 0.05 -0.16 -0.07 0.00 1.08 0.00 0.00 58.89 59.79 1n63 h TRP 796 Cb 0.84 -0.21 -0.03 0.00 -3.00 0.00 0.00 29.16 26.76 1n63 h TRP 796 CO 0.03 0.85 0.16 0.00 -1.28 0.00 0.00 178.44 178.20 1n63 h ARG 797 N 0.57 1.14 -0.11 0.12 3.08 -1.83 -0.80 114.38 116.55 1n63 h ARG 797 Ca 0.11 -0.28 -0.15 0.00 0.07 0.00 0.00 59.98 59.72 1n63 h ARG 797 Cb 0.55 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1n63 h ARG 797 CO 0.03 1.01 -0.59 -0.07 -1.07 0.00 0.00 179.97 179.27 1n63 h LEU 798 N 1.07 0.41 -0.69 3.04 3.38 -0.94 -1.94 115.31 119.64 1n63 h LEU 798 Ca 0.22 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1n63 h LEU 798 Cb 0.39 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1n63 h LEU 798 CO 0.01 0.91 0.36 -0.25 0.09 0.00 0.00 178.44 179.56 1n63 h TRP 799 N 0.27 0.66 -0.54 1.13 7.01 -0.45 -2.31 115.95 121.72 1n63 h TRP 799 Ca -0.00 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 1n63 h TRP 799 Cb 1.12 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.96 1n63 h TRP 799 CO 0.03 0.28 0.22 0.87 -2.79 0.00 0.00 178.44 177.05 1n63 h LYS 800 N 0.65 0.77 0.34 2.65 1.79 -0.73 0.96 116.57 123.00 1n63 h LYS 800 Ca 0.33 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1n63 h LYS 800 Cb 0.28 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1n63 h LYS 800 CO -0.23 0.63 -0.34 0.28 -1.08 0.00 0.00 179.45 178.71 1n63 h VAL 801 N 0.77 0.29 -0.73 0.50 2.07 -0.93 -0.89 116.25 117.32 1n63 h VAL 801 Ca 0.19 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 1n63 h VAL 801 Cb 0.14 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1n63 h VAL 801 CO -0.02 0.00 0.38 1.23 0.02 0.00 0.00 177.57 179.18 1n63 h GLY 802 N -0.71 1.10 0.60 2.17 0.00 -1.01 -2.27 103.07 102.94 1n63 h GLY 802 Ca -0.02 -0.50 0.04 0.00 0.00 0.00 0.00 47.33 46.85 1n63 h GLY 802 CO -0.07 0.48 -0.00 -2.09 0.00 0.00 0.00 176.54 174.87 1n63 h GLU 803 N 1.03 0.08 0.00 4.80 4.57 -0.53 -1.13 114.58 123.39 1n63 h GLU 803 Ca 0.26 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1n63 h GLU 803 Cb 0.06 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1n63 h GLU 803 CO -0.04 0.05 0.00 1.96 -1.18 0.00 0.00 179.01 179.80 1n63 h GLN 804 N 0.08 0.00 -0.10 1.92 4.20 -0.95 -1.84 115.11 118.43 1n63 h GLN 804 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1n63 h GLN 804 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1n63 h GLN 804 CO -0.21 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.23 1n63 n LEU 805 N -2.73 2.01 -0.35 1.46 4.77 -0.82 -4.95 117.00 116.40 1n63 n LEU 805 Ca 0.01 -0.74 -0.04 0.00 -0.03 0.00 0.00 56.01 55.21 1n63 n LEU 805 Cb 0.26 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1n63 n LEU 805 CO 0.24 0.37 -0.04 0.61 -1.33 0.00 0.00 177.39 177.24 1n63 n GLY 806 N 1.23 0.49 0.07 -0.72 0.00 -0.69 -4.94 105.19 100.62 1n63 n GLY 806 Ca 0.17 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.49 1n63 n GLY 806 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n63 n LEU 807 N -0.48 0.47 -0.16 0.99 4.77 -0.49 -3.59 117.00 118.51 1n63 n LEU 807 Ca -0.04 0.56 0.10 0.00 -0.03 0.00 0.00 56.01 56.60 1n63 n LEU 807 Cb 0.29 -0.42 -0.08 0.00 -2.33 0.00 0.00 43.42 40.88 1n63 n LEU 807 CO 0.06 -0.17 0.07 1.41 -1.33 0.00 0.00 177.39 177.42 1n63 n HIS 808 N -1.95 0.00 -0.27 -1.77 8.25 -1.26 -5.01 115.22 113.21 1n63 n HIS 808 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1n63 n HIS 808 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 1n63 n HIS 808 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31