#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j12 s VAL 2 N 0.00 2.01 -0.45 0.00 -7.23 -0.42 -3.09 120.40 111.22 1j12 s VAL 2 Ca 0.00 0.01 -0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1j12 s VAL 2 Cb 0.00 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.94 1j12 s VAL 2 CO 0.00 0.00 0.05 0.59 -0.31 0.00 0.00 175.10 175.44 1j12 n ASN 3 N -0.86 -2.46 -0.79 4.85 3.02 -1.26 -3.56 115.26 114.21 1j12 n ASN 3 Ca 0.09 -0.03 -0.10 0.00 -0.03 0.00 0.00 54.58 54.51 1j12 n ASN 3 Cb 0.44 -1.68 -0.04 0.00 -0.61 0.00 0.00 39.78 37.89 1j12 n ASN 3 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j12 n GLY 4 N -0.99 1.04 3.99 7.41 0.00 -1.18 -4.96 105.19 110.49 1j12 n GLY 4 Ca -0.05 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 1j12 n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j12 s LYS 5 N -2.75 2.33 0.00 1.61 -2.85 -1.18 -1.74 119.74 115.17 1j12 s LYS 5 Ca 0.00 -1.73 0.00 0.00 -1.00 0.00 0.00 55.97 53.24 1j12 s LYS 5 Cb 0.00 -2.47 0.00 0.00 -2.06 0.00 0.00 37.83 33.30 1j12 s LYS 5 CO 0.00 -0.72 0.00 0.41 0.10 0.00 0.00 175.35 175.14 1j12 n GLY 6 N -2.04 3.90 3.82 0.59 0.00 -1.26 0.12 105.19 110.32 1j12 n GLY 6 Ca 0.09 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 1j12 n GLY 6 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1j12 s MET 7 N 2.47 3.41 -0.01 1.61 0.23 -1.26 -4.47 119.30 121.28 1j12 s MET 7 Ca 0.00 1.03 -0.30 0.00 -1.03 0.00 0.00 55.69 55.39 1j12 s MET 7 Cb 0.00 -2.05 -0.06 0.00 -1.53 0.00 0.00 34.83 31.19 1j12 s MET 7 CO 0.00 -0.73 1.56 1.21 -2.03 0.00 0.00 175.02 175.03 1j12 s ASN 8 N -3.28 6.72 0.01 -1.18 3.84 -1.26 -4.81 114.94 114.98 1j12 s ASN 8 Ca 0.60 2.25 0.14 0.00 0.21 0.00 0.00 52.86 56.06 1j12 s ASN 8 Cb -0.13 -2.55 0.61 0.00 -0.55 0.00 0.00 41.25 38.62 1j12 s ASN 8 CO 0.42 -0.84 1.46 -0.81 -2.79 0.00 0.00 177.10 174.54 1j12 n PRO 9 N 6.10 0.01 -0.31 0.43 -0.04 -1.26 -1.75 135.00 138.19 1j12 n PRO 9 Ca 0.15 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 1j12 n PRO 9 Cb 0.42 -1.52 0.29 0.00 -0.04 0.00 0.00 33.50 32.66 1j12 n PRO 9 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1j12 n ASP 10 N -1.53 3.73 -4.71 3.54 8.00 -1.26 -4.79 116.55 119.53 1j12 n ASP 10 Ca 0.03 -2.00 -0.43 0.00 0.71 0.00 0.00 54.79 53.10 1j12 n ASP 10 Cb 0.16 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 1j12 n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j12 n TYR 11 N 1.57 2.56 -3.94 1.24 9.36 -0.72 -4.76 117.16 122.47 1j12 n TYR 11 Ca 0.23 0.26 -0.10 0.00 3.32 0.00 0.00 57.90 61.61 1j12 n TYR 11 Cb 0.61 -2.57 -0.10 0.00 -0.63 0.00 0.00 39.34 36.65 1j12 n TYR 11 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1j12 s LYS 12 N 0.05 0.43 -0.04 2.98 -0.14 -0.97 -4.69 119.74 117.36 1j12 s LYS 12 Ca 0.69 -0.61 0.02 0.00 -1.36 0.00 0.00 55.97 54.72 1j12 s LYS 12 Cb -0.57 0.17 -0.03 0.00 -1.68 0.00 0.00 37.83 35.72 1j12 s LYS 12 CO 0.44 -0.09 -0.10 0.00 -0.76 0.00 0.00 175.35 174.84 1j12 s ALA 13 N -1.80 2.87 0.11 5.17 0.00 -1.26 -1.75 121.76 125.10 1j12 s ALA 13 Ca -0.12 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 50.94 1j12 s ALA 13 Cb -0.07 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1j12 s ALA 13 CO -0.01 0.58 -0.15 0.71 0.00 0.00 0.00 175.76 176.88 1j12 s TYR 14 N -0.83 1.43 -0.07 0.00 1.51 0.37 -1.30 117.35 118.46 1j12 s TYR 14 Ca 0.13 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1j12 s TYR 14 Cb -0.11 -0.76 -0.03 0.00 -0.11 0.00 0.00 41.96 40.96 1j12 s TYR 14 CO 0.02 0.14 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.32 1j12 s LEU 15 N -2.24 2.85 -0.07 -1.29 2.96 -0.89 -0.11 118.68 119.90 1j12 s LEU 15 Ca 0.06 -0.17 -0.23 0.00 -0.22 0.00 0.00 54.13 53.57 1j12 s LEU 15 Cb -0.07 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1j12 s LEU 15 CO 0.03 0.32 0.69 -0.04 -1.32 0.00 0.00 176.35 176.03 1j12 s MET 16 N -0.54 4.43 0.80 1.98 -1.94 0.12 -0.28 119.30 123.86 1j12 s MET 16 Ca 0.08 0.87 -0.12 0.00 -1.71 0.00 0.00 55.69 54.81 1j12 s MET 16 Cb -0.12 -3.44 0.07 0.00 2.01 0.00 0.00 34.83 33.35 1j12 s MET 16 CO 0.02 0.07 1.10 0.00 -0.01 0.00 0.00 175.02 176.20 1j12 s ALA 17 N 0.77 2.28 1.07 3.03 0.00 0.24 -0.19 121.76 128.96 1j12 s ALA 17 Ca 0.37 -0.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 1j12 s ALA 17 Cb -0.18 -3.09 0.23 0.00 0.00 0.00 0.00 23.12 20.08 1j12 s ALA 17 CO 0.18 -1.71 1.07 -2.14 0.00 0.00 0.00 175.76 173.16 1j12 s PRO 18 N -5.19 -0.16 0.08 0.00 0.02 -1.26 -4.67 135.00 123.83 1j12 s PRO 18 Ca 0.61 1.11 -0.09 0.00 0.02 0.00 0.00 61.00 62.65 1j12 s PRO 18 Cb -0.14 -1.62 -0.22 0.00 0.02 0.00 0.00 34.50 32.53 1j12 s PRO 18 CO 0.54 -3.29 1.18 -0.07 -0.33 0.00 0.00 177.00 175.02 1j12 h LEU 19 N -2.33 0.68-10.61 -5.54 4.07 -1.95 -3.44 115.31 96.19 1j12 h LEU 19 Ca -0.54 -0.62 -0.46 0.00 0.08 0.00 0.00 57.88 56.34 1j12 h LEU 19 Cb 1.31 -0.21 0.09 0.00 1.08 0.00 0.00 40.66 42.92 1j12 h LEU 19 CO 0.47 1.44 0.31 -0.54 -1.08 0.00 0.00 178.44 179.04 1j12 s LYS 20 N -3.02 2.02 0.42 1.13 1.02 -1.26 -4.98 119.74 115.07 1j12 s LYS 20 Ca -0.07 -0.12 -0.25 0.00 0.02 0.00 0.00 55.97 55.56 1j12 s LYS 20 Cb 0.07 -2.06 -0.08 0.00 -0.52 0.00 0.00 37.83 35.24 1j12 s LYS 20 CO 0.90 -1.45 1.21 0.15 -0.92 0.00 0.00 175.35 175.24 1j12 s LYS 21 N -5.42 3.91 0.18 1.68 1.02 -1.26 -4.94 119.74 114.92 1j12 s LYS 21 Ca 0.62 1.92 -0.16 0.00 0.02 0.00 0.00 55.97 58.37 1j12 s LYS 21 Cb -0.10 -2.61 0.15 0.00 -0.52 0.00 0.00 37.83 34.75 1j12 s LYS 21 CO 0.47 -0.46 1.65 0.82 -0.92 0.00 0.00 175.35 176.90 1j12 h ILE 22 N 2.20 0.50 0.00 2.17 1.08 -1.93 -0.45 117.51 121.08 1j12 h ILE 22 Ca -0.49 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 1j12 h ILE 22 Cb 1.24 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 1j12 h ILE 22 CO 0.62 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.27 1j12 n PRO 23 N -5.36 0.11 -0.63 2.37 -0.04 -1.26 -0.24 135.00 129.95 1j12 n PRO 23 Ca 0.04 0.58 0.05 0.00 -0.04 0.00 0.00 63.50 64.13 1j12 n PRO 23 Cb 0.27 -1.84 0.28 0.00 -0.04 0.00 0.00 33.50 32.16 1j12 n PRO 23 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1j12 n GLU 24 N -2.08 3.11 0.00 0.54 0.28 -0.19 -4.32 120.64 117.99 1j12 n GLU 24 Ca -0.01 -2.96 0.00 0.00 -0.16 0.00 0.00 57.16 54.03 1j12 n GLU 24 Cb 0.05 -1.94 0.00 0.00 1.43 0.00 0.00 31.44 30.97 1j12 n GLU 24 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1j12 n VAL 25 N -0.42 0.00 -1.04 3.84 0.31 0.01 -4.87 118.33 116.15 1j12 n VAL 25 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 1j12 n VAL 25 Cb 1.02 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.94 1j12 n VAL 25 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1j12 n THR 26 N -0.35 0.00 -4.18 2.52 5.66 0.66 -5.09 114.28 113.50 1j12 n THR 26 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 1j12 n THR 26 Cb 0.02 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.70 1j12 n THR 26 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1j12 s ASN 27 N 2.00 0.84 0.32 1.09 2.20 -1.26 -4.13 114.94 116.00 1j12 s ASN 27 Ca 0.00 -1.13 0.01 0.00 -0.94 0.00 0.00 52.86 50.80 1j12 s ASN 27 Cb 0.00 0.18 0.56 0.00 -2.00 0.00 0.00 41.25 39.99 1j12 s ASN 27 CO 0.00 -0.60 1.94 -0.50 -2.94 0.00 0.00 177.10 174.99 1j12 h TRP 28 N 2.85 0.97 -0.32 1.54 4.06 -1.96 -0.39 115.95 122.71 1j12 h TRP 28 Ca -0.36 0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.53 1j12 h TRP 28 Cb 1.19 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 29.02 1j12 h TRP 28 CO 0.51 0.54 -0.15 0.93 -3.56 0.00 0.00 178.44 176.71 1j12 h GLU 29 N 0.98 0.68 -0.37 0.49 3.07 -2.00 -2.29 114.58 115.14 1j12 h GLU 29 Ca 0.35 -0.30 -0.07 0.00 -0.50 0.00 0.00 59.36 58.84 1j12 h GLU 29 Cb 0.14 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1j12 h GLU 29 CO -0.12 0.89 -0.06 1.15 -1.40 0.00 0.00 179.01 179.47 1j12 h THR 30 N 0.45 1.27 -0.64 1.13 2.02 -1.93 -2.92 112.91 112.28 1j12 h THR 30 Ca 0.07 -1.11 0.11 0.00 0.77 0.00 0.00 66.41 66.26 1j12 h THR 30 Cb 0.68 1.24 -0.08 0.00 -1.74 0.00 0.00 68.15 68.25 1j12 h THR 30 CO 0.05 0.37 0.21 0.15 0.37 0.00 0.00 175.52 176.66 1j12 h PHE 31 N 0.50 0.35 -0.60 3.16 3.57 -1.00 0.18 116.94 123.10 1j12 h PHE 31 Ca 0.10 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1j12 h PHE 31 Cb 0.56 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 1j12 h PHE 31 CO 0.05 0.04 0.17 0.93 -2.23 0.00 0.00 178.31 177.27 1j12 h GLU 32 N 0.36 0.92 -0.43 1.11 5.08 -1.28 0.23 114.58 120.57 1j12 h GLU 32 Ca 0.33 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1j12 h GLU 32 Cb 0.47 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1j12 h GLU 32 CO -0.36 0.80 -0.07 -0.91 -1.00 0.00 0.00 179.01 177.47 1j12 h ASN 33 N 0.88 0.81 -0.81 1.42 2.35 -1.06 -2.14 115.58 117.04 1j12 h ASN 33 Ca 0.20 -0.35 0.02 0.00 -0.55 0.00 0.00 56.30 55.62 1j12 h ASN 33 Cb 0.28 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 1j12 h ASN 33 CO -0.01 0.97 0.53 0.44 -1.65 0.00 0.00 177.43 177.71 1j12 h ASP 34 N 0.64 0.89 -0.52 5.81 5.19 0.13 -1.26 116.42 127.30 1j12 h ASP 34 Ca 0.11 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.46 1j12 h ASP 34 Cb 0.60 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.87 1j12 h ASP 34 CO 0.04 0.63 0.14 -0.07 -3.12 0.00 0.00 179.24 176.85 1j12 h LEU 35 N 1.05 0.82 -0.69 1.55 3.38 -0.27 -1.10 115.31 120.05 1j12 h LEU 35 Ca 0.31 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 1j12 h LEU 35 Cb -0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1j12 h LEU 35 CO -0.09 0.80 -0.23 0.03 0.09 0.00 0.00 178.44 179.04 1j12 h ARG 36 N 0.85 0.77 -0.46 1.13 3.08 -0.81 -1.42 114.38 117.50 1j12 h ARG 36 Ca 0.18 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 1j12 h ARG 36 Cb 0.30 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1j12 h ARG 36 CO -0.00 0.92 0.13 2.35 -1.07 0.00 0.00 179.97 182.30 1j12 h TRP 37 N 0.67 0.77 -0.39 3.04 -0.00 -0.83 -1.42 115.95 117.78 1j12 h TRP 37 Ca 0.09 -0.09 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1j12 h TRP 37 Cb 0.74 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.16 29.66 1j12 h TRP 37 CO 0.04 0.69 0.25 0.00 -0.00 0.00 0.00 178.44 179.42 1j12 h ALA 38 N 0.99 0.50 -1.01 2.65 0.00 -1.00 -1.98 119.26 119.42 1j12 h ALA 38 Ca 0.15 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1j12 h ALA 38 Cb 0.30 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1j12 h ALA 38 CO -0.00 -0.02 0.65 -0.22 0.00 0.00 0.00 179.25 179.66 1j12 h LYS 39 N 0.53 1.17 0.00 0.00 3.64 -1.08 0.76 116.57 121.58 1j12 h LYS 39 Ca 0.14 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1j12 h LYS 39 Cb -0.03 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.53 1j12 h LYS 39 CO -0.03 0.77 -0.01 0.37 -2.27 0.00 0.00 179.45 178.29 1j12 h GLN 40 N 1.21 0.00 -0.43 1.90 5.75 -0.55 -2.61 115.11 120.39 1j12 h GLN 40 Ca 0.42 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.89 1j12 h GLN 40 Cb 0.12 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 1j12 h GLN 40 CO -0.16 0.01 0.03 0.09 -2.65 0.00 0.00 178.83 176.14 1j12 n ASN 41 N -3.11 4.60 0.00 -0.69 3.02 0.21 -4.96 115.26 114.33 1j12 n ASN 41 Ca -0.01 -3.05 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 1j12 n ASN 41 Cb 0.19 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 1j12 n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j12 n GLY 42 N -0.10 0.74 3.74 7.41 0.00 -0.98 -4.37 105.19 111.62 1j12 n GLY 42 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 1j12 n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j12 s PHE 43 N -2.50 3.73 -0.09 1.61 0.08 -0.93 -4.42 117.98 115.47 1j12 s PHE 43 Ca 0.00 1.51 -0.01 0.00 0.12 0.00 0.00 56.93 58.54 1j12 s PHE 43 Cb 0.00 -2.86 -0.26 0.00 -0.57 0.00 0.00 43.02 39.33 1j12 s PHE 43 CO 0.00 0.24 0.49 -0.92 -0.10 0.00 0.00 175.22 174.93 1j12 h TYR 44 N 5.79 0.36 -3.54 0.36 3.20 -1.53 -3.37 116.97 118.24 1j12 h TYR 44 Ca -0.43 -0.26 -0.04 0.00 3.14 0.00 0.00 58.73 61.13 1j12 h TYR 44 Cb 1.21 -0.01 -0.10 0.00 1.54 0.00 0.00 36.73 39.36 1j12 h TYR 44 CO 0.65 1.54 -0.08 0.00 -1.64 0.00 0.00 178.16 178.63 1j12 s ALA 45 N -2.57 -0.49 -0.13 1.82 0.00 -1.25 -3.58 121.76 115.56 1j12 s ALA 45 Ca -0.16 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1j12 s ALA 45 Cb 0.07 0.95 -0.00 0.00 0.00 0.00 0.00 23.12 24.13 1j12 s ALA 45 CO 0.79 -0.81 -0.19 -1.50 0.00 0.00 0.00 175.76 174.05 1j12 s ILE 46 N -3.96 2.42 0.07 0.00 2.07 -0.78 -2.09 121.20 118.94 1j12 s ILE 46 Ca 0.16 -0.87 -0.13 0.00 -1.41 0.00 0.00 60.65 58.40 1j12 s ILE 46 Cb -0.00 -1.98 -0.06 0.00 0.13 0.00 0.00 42.46 40.55 1j12 s ILE 46 CO 0.03 0.54 0.45 0.42 -1.91 0.00 0.00 174.94 174.48 1j12 s THR 47 N 0.57 4.99 -0.10 4.00 -4.23 0.61 -1.18 115.64 120.30 1j12 s THR 47 Ca -0.11 0.71 -0.11 0.00 -1.18 0.00 0.00 61.69 61.00 1j12 s THR 47 Cb -0.16 -3.70 0.03 0.00 1.34 0.00 0.00 72.50 70.00 1j12 s THR 47 CO 0.04 0.38 0.30 0.54 -0.54 0.00 0.00 174.62 175.33 1j12 s VAL 48 N -1.31 0.01 -0.07 2.29 0.11 -0.81 -0.60 120.40 120.03 1j12 s VAL 48 Ca 0.31 -0.06 -0.28 0.00 -2.93 0.00 0.00 61.98 59.02 1j12 s VAL 48 Cb -0.15 -0.45 -0.02 0.00 -1.53 0.00 0.00 36.38 34.23 1j12 s VAL 48 CO 0.17 -0.03 0.92 -1.81 -3.33 0.00 0.00 175.10 171.02 1j12 s ASP 49 N -0.02 7.21 -0.33 3.54 1.01 -1.26 -0.91 116.67 125.90 1j12 s ASP 49 Ca -0.02 1.47 -0.01 0.00 0.71 0.00 0.00 52.55 54.71 1j12 s ASP 49 Cb -0.03 -2.52 0.08 0.00 1.01 0.00 0.00 42.92 41.46 1j12 s ASP 49 CO 0.01 -0.32 0.05 -0.36 0.21 0.00 0.00 175.17 174.76 1j12 s PHE 50 N 1.46 3.43 0.05 4.23 2.99 -0.50 -4.93 117.98 124.71 1j12 s PHE 50 Ca 0.46 -2.26 -0.31 0.00 0.00 0.00 0.00 56.93 54.83 1j12 s PHE 50 Cb -0.19 -2.52 -0.06 0.00 0.00 0.00 0.00 43.02 40.26 1j12 s PHE 50 CO 0.21 -0.88 1.24 -1.58 -0.00 0.00 0.00 175.22 174.21 1j12 s TRP 51 N 1.15 3.32 0.46 0.36 0.52 -1.26 -0.92 118.94 122.57 1j12 s TRP 51 Ca 0.01 1.20 0.11 0.00 0.02 0.00 0.00 56.10 57.44 1j12 s TRP 51 Cb -0.20 -3.48 1.04 0.00 -1.15 0.00 0.00 33.47 29.68 1j12 s TRP 51 CO -0.03 -1.54 2.09 2.35 0.02 0.00 0.00 176.95 179.84 1j12 h TRP 52 N 6.99 0.30 0.00 -1.98 7.01 -1.47 0.19 115.95 126.99 1j12 h TRP 52 Ca -0.40 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.60 1j12 h TRP 52 Cb 1.20 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 28.16 1j12 h TRP 52 CO 0.68 0.18 0.00 0.41 -2.79 0.00 0.00 178.44 176.93 1j12 n GLY 53 N -1.51 -1.04 0.13 2.65 0.00 -1.25 -2.32 105.19 101.85 1j12 n GLY 53 Ca 0.01 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1j12 n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j12 n ASP 54 N -2.22 1.97 0.25 1.61 8.00 0.61 -4.12 116.55 122.65 1j12 n ASP 54 Ca 0.00 0.11 0.15 0.00 0.71 0.00 0.00 54.79 55.76 1j12 n ASP 54 Cb 0.12 -0.64 0.53 0.00 -0.02 0.00 0.00 41.12 41.11 1j12 n ASP 54 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1j12 h MET 55 N -0.48 0.00 -0.60 -1.24 2.86 -1.29 -3.33 114.93 110.85 1j12 h MET 55 Ca -0.62 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 56.72 1j12 h MET 55 Cb 1.76 0.00 -0.29 0.00 0.06 0.00 0.00 31.60 33.13 1j12 h MET 55 CO -0.24 0.05 -0.83 -1.91 1.06 0.00 0.00 176.91 175.05 1j12 n GLU 56 N -3.15 1.16 0.21 1.72 2.13 -0.98 -1.05 120.64 120.68 1j12 n GLU 56 Ca 0.01 -2.63 -0.14 0.00 0.66 0.00 0.00 57.16 55.07 1j12 n GLU 56 Cb 0.38 -0.76 -0.08 0.00 0.27 0.00 0.00 31.44 31.26 1j12 n GLU 56 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1j12 h LYS 57 N 2.59 -0.54 0.00 5.31 3.64 -1.72 -3.36 116.57 122.49 1j12 h LYS 57 Ca -0.17 0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.15 1j12 h LYS 57 Cb 1.22 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1j12 h LYS 57 CO 0.26 -0.23 -0.46 -0.91 -2.27 0.00 0.00 179.45 175.84 1j12 h ASN 58 N -0.89 0.00 0.00 4.20 -0.26 -1.91 -3.43 115.58 113.29 1j12 h ASN 58 Ca -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1j12 h ASN 58 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1j12 h ASN 58 CO 0.09 0.46 0.00 0.61 -1.06 0.00 0.00 177.43 177.53 1j12 n GLY 59 N -0.20 0.10 3.68 2.83 0.00 -1.26 -4.97 105.19 105.37 1j12 n GLY 59 Ca -0.02 -0.95 -0.45 0.00 0.00 0.00 0.00 46.02 44.61 1j12 n GLY 59 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j12 n ASP 60 N 0.00 3.59 -0.17 1.61 2.03 -1.26 -1.47 116.55 120.89 1j12 n ASP 60 Ca 0.00 1.02 -0.02 0.00 0.52 0.00 0.00 54.79 56.31 1j12 n ASP 60 Cb 0.00 -1.47 -0.01 0.00 -0.72 0.00 0.00 41.12 38.92 1j12 n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j12 n GLN 61 N 5.05 -1.22 -3.15 -0.67 1.13 -1.26 -4.93 117.38 112.33 1j12 n GLN 61 Ca 0.19 0.42 -0.44 0.00 -1.94 0.00 0.00 57.00 55.23 1j12 n GLN 61 Cb 0.33 -4.40 0.00 0.00 0.11 0.00 0.00 30.24 26.28 1j12 n GLN 61 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1j12 n GLN 62 N -0.80 3.62 -2.85 -1.09 6.02 -0.54 -5.02 117.38 116.72 1j12 n GLN 62 Ca -0.02 -4.27 -0.32 0.00 -0.01 0.00 0.00 57.00 52.38 1j12 n GLN 62 Cb 0.34 -2.69 -0.06 0.00 1.02 0.00 0.00 30.24 28.85 1j12 n GLN 62 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1j12 s PHE 63 N -0.66 3.37 -0.34 1.08 0.40 -1.26 -4.17 117.98 116.41 1j12 s PHE 63 Ca 0.34 1.41 0.01 0.00 -0.60 0.00 0.00 56.93 58.09 1j12 s PHE 63 Cb -0.05 -2.70 0.14 0.00 0.51 0.00 0.00 43.02 40.92 1j12 s PHE 63 CO -0.03 -0.09 0.29 0.34 0.70 0.00 0.00 175.22 176.42 1j12 s ASP 64 N -2.46 2.03 -0.20 1.36 2.15 -0.21 -4.98 116.67 114.35 1j12 s ASP 64 Ca 0.58 -1.53 0.15 0.00 0.43 0.00 0.00 52.55 52.18 1j12 s ASP 64 Cb -0.10 0.19 0.78 0.00 -0.30 0.00 0.00 42.92 43.49 1j12 s ASP 64 CO 0.19 -0.32 1.70 0.49 -0.17 0.00 0.00 175.17 177.06 1j12 n PHE 65 N 4.54 1.86 -0.04 -5.34 3.01 -1.26 -4.25 117.46 115.97 1j12 n PHE 65 Ca 0.07 -0.71 -0.09 0.00 1.01 0.00 0.00 57.45 57.72 1j12 n PHE 65 Cb 0.43 -0.43 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 1j12 n PHE 65 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1j12 h SER 66 N 3.86 0.13 -0.51 4.37 4.64 -1.98 -1.80 113.55 122.26 1j12 h SER 66 Ca 0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1j12 h SER 66 Cb 1.82 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.87 1j12 h SER 66 CO 0.41 0.11 0.27 0.22 -0.87 0.00 0.00 176.83 176.97 1j12 h TYR 67 N 0.21 0.72 -0.91 4.77 3.20 -1.99 -1.64 116.97 121.32 1j12 h TYR 67 Ca 0.09 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.98 1j12 h TYR 67 Cb 0.03 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.02 1j12 h TYR 67 CO -0.10 0.54 0.58 0.00 -1.64 0.00 0.00 178.16 177.55 1j12 h ALA 68 N 1.11 1.22 -0.12 1.82 0.00 -1.84 0.28 119.26 121.72 1j12 h ALA 68 Ca 0.18 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1j12 h ALA 68 Cb 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1j12 h ALA 68 CO -0.03 0.41 -0.64 1.96 0.00 0.00 0.00 179.25 180.95 1j12 h GLN 69 N 1.10 0.47 -0.22 0.00 4.20 -1.10 -1.65 115.11 117.91 1j12 h GLN 69 Ca 0.37 -0.34 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 1j12 h GLN 69 Cb 0.06 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1j12 h GLN 69 CO -0.14 0.96 -0.28 -0.09 -0.67 0.00 0.00 178.83 178.61 1j12 h ARG 70 N 0.34 0.58 -0.26 1.46 9.65 -0.81 -1.38 114.38 123.96 1j12 h ARG 70 Ca -0.01 -0.33 0.03 0.00 -1.10 0.00 0.00 59.98 58.57 1j12 h ARG 70 Cb 1.20 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.77 1j12 h ARG 70 CO 0.11 0.93 0.06 0.35 2.80 0.00 0.00 179.97 184.23 1j12 h PHE 71 N 0.26 0.11 -0.73 2.20 3.57 -0.43 -1.79 116.94 120.13 1j12 h PHE 71 Ca 0.03 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1j12 h PHE 71 Cb 0.85 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 1j12 h PHE 71 CO 0.08 0.04 0.48 0.00 -2.23 0.00 0.00 178.31 176.69 1j12 h ALA 72 N 1.18 1.58 -0.49 2.41 0.00 -1.15 -2.20 119.26 120.59 1j12 h ALA 72 Ca 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1j12 h ALA 72 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1j12 h ALA 72 CO -0.15 0.35 0.16 0.37 0.00 0.00 0.00 179.25 179.99 1j12 h GLN 73 N 0.89 0.75 -0.41 0.00 5.75 -0.40 -1.54 115.11 120.15 1j12 h GLN 73 Ca 0.29 -0.15 -0.07 0.00 -0.15 0.00 0.00 58.65 58.57 1j12 h GLN 73 Cb 0.06 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 1j12 h GLN 73 CO -0.08 0.69 -0.02 0.77 -2.65 0.00 0.00 178.83 177.54 1j12 h SER 74 N 0.65 0.63 -0.34 -0.69 0.02 -0.96 0.26 113.55 113.13 1j12 h SER 74 Ca 0.16 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 1j12 h SER 74 Cb 0.25 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1j12 h SER 74 CO -0.01 0.72 -0.05 0.58 -1.14 0.00 0.00 176.83 176.93 1j12 h VAL 75 N 0.62 1.24 -0.48 2.27 2.07 -1.13 0.11 116.25 120.96 1j12 h VAL 75 Ca 0.12 -1.05 -0.13 0.00 0.82 0.00 0.00 66.70 66.47 1j12 h VAL 75 Cb 0.42 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1j12 h VAL 75 CO 0.02 0.36 -0.20 0.50 0.02 0.00 0.00 177.57 178.27 1j12 h LYS 76 N 0.68 0.99 -0.36 1.57 3.64 -0.68 -0.87 116.57 121.54 1j12 h LYS 76 Ca 0.13 -0.42 -0.06 0.00 -1.27 0.00 0.00 60.65 59.02 1j12 h LYS 76 Cb 0.49 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1j12 h LYS 76 CO 0.03 1.10 -0.02 -0.91 -2.27 0.00 0.00 179.45 177.37 1j12 h ASN 77 N 0.85 0.65 0.43 4.20 2.35 -0.46 -2.66 115.58 120.93 1j12 h ASN 77 Ca 0.11 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1j12 h ASN 77 Cb 0.78 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1j12 h ASN 77 CO 0.06 0.82 0.00 0.00 -1.65 0.00 0.00 177.43 176.66 1j12 n ALA 78 N -2.40 1.68 -1.37 -0.83 0.00 0.35 -4.86 120.51 113.08 1j12 n ALA 78 Ca -0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.32 1j12 n ALA 78 Cb 0.30 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 1j12 n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j12 n GLY 79 N -0.05 0.63 1.02 0.00 0.00 -0.86 -4.55 105.19 101.37 1j12 n GLY 79 Ca 0.04 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 1j12 n GLY 79 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j12 n MET 80 N -2.54 1.00 -4.38 1.61 2.81 -0.39 -5.03 117.12 110.20 1j12 n MET 80 Ca -0.05 -0.84 -0.20 0.00 -1.81 0.00 0.00 57.70 54.80 1j12 n MET 80 Cb 0.26 -0.02 -0.10 0.00 -0.71 0.00 0.00 33.22 32.64 1j12 n MET 80 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1j12 s LYS 81 N -2.66 1.43 0.03 0.03 -0.14 -1.23 -4.58 119.74 112.62 1j12 s LYS 81 Ca 0.14 -1.69 -0.00 0.00 -1.36 0.00 0.00 55.97 53.05 1j12 s LYS 81 Cb -0.01 -1.07 -0.03 0.00 -1.68 0.00 0.00 37.83 35.04 1j12 s LYS 81 CO 0.09 0.08 -0.03 0.00 -0.76 0.00 0.00 175.35 174.72 1j12 s MET 82 N -3.71 0.42 -0.32 1.68 0.23 0.84 -1.86 119.30 116.58 1j12 s MET 82 Ca 0.26 -0.84 0.01 0.00 -1.03 0.00 0.00 55.69 54.10 1j12 s MET 82 Cb 0.02 0.14 0.10 0.00 -1.53 0.00 0.00 34.83 33.56 1j12 s MET 82 CO 0.09 -0.07 0.09 0.42 -2.03 0.00 0.00 175.02 173.52 1j12 s ILE 83 N -2.36 1.28 0.40 3.16 1.01 -0.32 -0.61 121.20 123.76 1j12 s ILE 83 Ca -0.07 -1.71 -0.20 0.00 0.00 0.00 0.00 60.65 58.68 1j12 s ILE 83 Cb -0.03 -1.96 -0.10 0.00 0.01 0.00 0.00 42.46 40.37 1j12 s ILE 83 CO -0.04 -0.66 0.90 -2.16 0.00 0.00 0.00 174.94 172.97 1j12 s PRO 84 N 1.37 4.17 -0.20 2.79 0.04 -1.23 -1.92 135.00 140.03 1j12 s PRO 84 Ca 0.10 1.01 -0.03 0.00 0.04 0.00 0.00 61.00 62.13 1j12 s PRO 84 Cb -0.18 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 1j12 s PRO 84 CO -0.20 0.01 -0.07 0.42 0.04 0.00 0.00 177.00 177.21 1j12 s ILE 85 N -2.13 3.21 -1.17 0.56 1.01 -0.09 -0.71 121.20 121.87 1j12 s ILE 85 Ca 0.60 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 60.50 1j12 s ILE 85 Cb -0.09 -2.44 0.07 0.00 0.01 0.00 0.00 42.46 40.01 1j12 s ILE 85 CO 0.14 0.45 1.58 -0.63 0.00 0.00 0.00 174.94 176.48 1j12 s ILE 86 N 1.29 4.15 -1.02 2.92 -1.09 -0.36 -1.41 121.20 125.68 1j12 s ILE 86 Ca 0.03 -1.53 -0.23 0.00 -2.23 0.00 0.00 60.65 56.69 1j12 s ILE 86 Cb -0.14 -5.10 -0.02 0.00 -1.58 0.00 0.00 42.46 35.61 1j12 s ILE 86 CO -0.03 -1.94 1.81 -0.44 -1.23 0.00 0.00 174.94 173.11 1j12 s SER 87 N 4.37 5.59 -0.09 3.58 0.01 -0.10 -3.53 113.70 123.53 1j12 s SER 87 Ca 0.49 -1.20 0.02 0.00 1.31 0.00 0.00 55.95 56.57 1j12 s SER 87 Cb 0.02 -2.57 0.17 0.00 0.21 0.00 0.00 66.02 63.85 1j12 s SER 87 CO -0.00 -2.38 1.04 0.35 0.41 0.00 0.00 173.24 172.66 1j12 n THR 88 N 7.50 1.16 -4.41 1.44 -2.24 -1.26 -1.24 114.28 115.23 1j12 n THR 88 Ca 0.40 -0.40 -0.20 0.00 -2.27 0.00 0.00 64.05 61.57 1j12 n THR 88 Cb 0.48 -0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 67.91 1j12 n THR 88 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1j12 s HIS 89 N -1.05 1.87 0.32 4.78 -3.43 -1.26 -4.61 115.29 111.91 1j12 s HIS 89 Ca 0.13 -0.76 -0.27 0.00 -0.80 0.00 0.00 55.06 53.37 1j12 s HIS 89 Cb 0.11 -1.08 -0.10 0.00 -1.43 0.00 0.00 32.58 30.09 1j12 s HIS 89 CO 0.03 0.20 0.99 -1.14 -2.00 0.00 0.00 174.74 172.82 1j12 s GLN 90 N -3.76 4.54 -0.28 -0.38 0.74 0.97 -4.73 119.66 116.75 1j12 s GLN 90 Ca 0.29 1.45 -0.10 0.00 0.05 0.00 0.00 55.36 57.05 1j12 s GLN 90 Cb 0.04 -2.85 -0.04 0.00 1.10 0.00 0.00 33.01 31.26 1j12 s GLN 90 CO 0.11 0.21 0.17 0.00 -0.55 0.00 0.00 175.29 175.24 1j12 n GLY 92 N 5.04 3.87 0.66 0.00 0.00 -1.26 -1.09 105.19 112.41 1j12 n GLY 92 Ca -0.14 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1j12 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j12 n GLY 93 N -0.86 2.91 3.91 -0.02 0.00 -1.26 -5.03 105.19 104.84 1j12 n GLY 93 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1j12 n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j12 s ASN 94 N 0.81 5.89 0.06 1.61 -0.87 -1.26 -4.93 114.94 116.25 1j12 s ASN 94 Ca 0.00 0.79 -0.32 0.00 -1.57 0.00 0.00 52.86 51.76 1j12 s ASN 94 Cb 0.00 -1.93 -0.11 0.00 -0.02 0.00 0.00 41.25 39.19 1j12 s ASN 94 CO 0.00 -0.84 1.83 0.52 -2.57 0.00 0.00 177.10 176.04 1j12 n VAL 95 N -2.43 0.43 -0.82 1.60 0.31 -1.26 -1.35 118.33 114.80 1j12 n VAL 95 Ca 0.03 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1j12 n VAL 95 Cb 0.56 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 1j12 n VAL 95 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j12 n GLY 96 N 4.19 0.71 3.61 2.92 0.00 -1.26 -5.01 105.19 110.35 1j12 n GLY 96 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1j12 n GLY 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j12 s ASP 97 N -2.38 6.54 -0.77 1.61 -0.00 -0.46 -4.95 116.67 116.26 1j12 s ASP 97 Ca 0.00 0.79 0.03 0.00 -0.00 0.00 0.00 52.55 53.37 1j12 s ASP 97 Cb 0.00 -2.54 0.20 0.00 -0.00 0.00 0.00 42.92 40.57 1j12 s ASP 97 CO 0.00 -1.27 0.63 -0.67 -0.00 0.00 0.00 175.17 173.86 1j12 n ASP 98 N 8.14 3.54 0.00 0.27 2.03 -1.26 -4.68 116.55 124.59 1j12 n ASP 98 Ca 0.14 -3.21 0.00 0.00 0.52 0.00 0.00 54.79 52.24 1j12 n ASP 98 Cb 0.48 -0.86 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 1j12 n ASP 98 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j12 n ASN 100 N 0.00 -2.82 -3.87 0.00 5.15 -1.23 -4.12 115.26 108.37 1j12 n ASN 100 Ca 0.00 -2.97 -0.29 0.00 -0.60 0.00 0.00 54.58 50.72 1j12 n ASN 100 Cb 0.00 1.44 -0.13 0.00 -0.53 0.00 0.00 39.78 40.56 1j12 n ASN 100 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1j12 s VAL 101 N 0.63 2.49 0.86 3.44 1.01 -0.25 -4.97 120.40 123.62 1j12 s VAL 101 Ca 0.31 -3.69 -0.11 0.00 0.00 0.00 0.00 61.98 58.49 1j12 s VAL 101 Cb 0.08 -2.68 0.11 0.00 0.00 0.00 0.00 36.38 33.89 1j12 s VAL 101 CO -0.13 -0.94 1.09 -2.84 0.00 0.00 0.00 175.10 172.28 1j12 s PRO 102 N -0.80 1.56 0.70 2.72 0.02 -1.26 -1.34 135.00 136.60 1j12 s PRO 102 Ca 0.22 0.89 -0.11 0.00 0.02 0.00 0.00 61.00 62.02 1j12 s PRO 102 Cb -0.13 -1.84 0.01 0.00 0.02 0.00 0.00 34.50 32.56 1j12 s PRO 102 CO -0.10 -2.05 1.06 0.96 -0.33 0.00 0.00 177.00 176.54 1j12 s ILE 103 N -2.94 3.99 -0.27 2.83 -4.36 -1.26 -3.96 121.20 115.23 1j12 s ILE 103 Ca 0.63 0.64 -0.41 0.00 -0.26 0.00 0.00 60.65 61.25 1j12 s ILE 103 Cb -0.17 -3.41 -0.17 0.00 1.25 0.00 0.00 42.46 39.96 1j12 s ILE 103 CO 0.57 -0.84 1.65 -2.65 0.24 0.00 0.00 174.94 173.90 1j12 n PRO 104 N -3.13 0.91 0.30 0.37 -0.02 -1.26 -4.84 135.00 127.33 1j12 n PRO 104 Ca 0.07 0.33 0.17 0.00 -2.02 0.00 0.00 63.50 62.05 1j12 n PRO 104 Cb 0.54 -1.97 0.96 0.00 -0.02 0.00 0.00 33.50 33.01 1j12 n PRO 104 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1j12 h SER 105 N 6.38 0.00 0.86 2.55 4.64 -1.90 -1.72 113.55 124.36 1j12 h SER 105 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1j12 h SER 105 Cb 1.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1j12 h SER 105 CO 0.93 0.01 -0.06 4.11 -0.87 0.00 0.00 176.83 180.95 1j12 h TRP 106 N 0.00 0.00 -0.06 4.77 5.08 -1.88 -2.95 115.95 120.91 1j12 h TRP 106 Ca -0.00 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.91 1j12 h TRP 106 Cb 0.05 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.20 1j12 h TRP 106 CO 0.00 0.06 -0.23 0.28 -1.28 0.00 0.00 178.44 177.27 1j12 h VAL 107 N 0.00 1.19 -0.08 0.12 2.07 -1.67 -2.68 116.25 115.19 1j12 h VAL 107 Ca -0.00 -0.90 -0.14 0.00 0.82 0.00 0.00 66.70 66.48 1j12 h VAL 107 Cb 0.51 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1j12 h VAL 107 CO 0.01 0.27 -0.56 -0.50 0.02 0.00 0.00 177.57 176.80 1j12 h TRP 108 N 0.09 0.32 0.00 1.57 4.06 -1.69 -2.87 115.95 117.43 1j12 h TRP 108 Ca 0.01 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 60.85 1j12 h TRP 108 Cb 0.46 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 1j12 h TRP 108 CO 0.00 0.75 0.00 0.09 -3.56 0.00 0.00 178.44 175.73 1j12 n ASN 109 N -3.91 0.56 0.05 -3.49 3.02 -1.01 -3.32 115.26 107.16 1j12 n ASN 109 Ca -0.02 -1.78 -0.06 0.00 -0.03 0.00 0.00 54.58 52.69 1j12 n ASN 109 Cb 0.59 -0.28 -0.11 0.00 -0.61 0.00 0.00 39.78 39.36 1j12 n ASN 109 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1j12 h GLN 110 N 0.07 0.00 -4.89 3.52 5.75 -1.60 -3.47 115.11 114.49 1j12 h GLN 110 Ca 0.00 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.15 1j12 h GLN 110 Cb 0.28 0.00 -0.22 0.00 1.07 0.00 0.00 27.48 28.61 1j12 h GLN 110 CO 0.00 0.81 -0.76 0.15 -2.65 0.00 0.00 178.83 176.38 1j12 s LYS 111 N -2.71 0.67 -0.00 1.69 -0.14 -1.21 -5.03 119.74 113.01 1j12 s LYS 111 Ca -0.00 -0.77 0.21 0.00 -1.36 0.00 0.00 55.97 54.06 1j12 s LYS 111 Cb 0.09 -0.57 -0.20 0.00 -1.68 0.00 0.00 37.83 35.47 1j12 s LYS 111 CO 0.81 0.12 0.88 -1.13 -0.76 0.00 0.00 175.35 175.28 1j12 n SER 112 N 1.61 0.86 -1.76 2.83 3.41 -1.26 -4.94 113.62 114.37 1j12 n SER 112 Ca -0.21 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 1j12 n SER 112 Cb 0.55 1.07 0.00 0.00 -0.26 0.00 0.00 64.21 65.57 1j12 n SER 112 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1j12 n ASP 113 N -1.59 0.00 -1.64 4.04 3.85 -1.26 -5.03 116.55 114.91 1j12 n ASP 113 Ca 0.03 -0.53 -0.16 0.00 -0.71 0.00 0.00 54.79 53.42 1j12 n ASP 113 Cb 0.36 0.00 0.14 0.00 -1.35 0.00 0.00 41.12 40.27 1j12 n ASP 113 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1j12 n ASP 114 N -1.60 3.97 0.07 -1.12 3.85 -1.26 -4.69 116.55 115.76 1j12 n ASP 114 Ca 0.00 -3.77 0.13 0.00 -0.71 0.00 0.00 54.79 50.44 1j12 n ASP 114 Cb 0.00 -0.65 0.48 0.00 -1.35 0.00 0.00 41.12 39.60 1j12 n ASP 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1j12 n SER 115 N -1.01 0.49 0.05 -1.12 3.41 -1.26 -3.95 113.62 110.23 1j12 n SER 115 Ca 0.43 0.56 0.07 0.00 -0.26 0.00 0.00 58.87 59.67 1j12 n SER 115 Cb 1.02 -0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 1j12 n SER 115 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1j12 n LEU 116 N -1.97 0.66 0.00 1.04 4.77 -1.26 -3.99 117.00 116.26 1j12 n LEU 116 Ca 0.06 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1j12 n LEU 116 Cb 0.37 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1j12 n LEU 116 CO 0.27 -0.02 0.00 0.00 -1.33 0.00 0.00 177.39 176.31 1j12 n TYR 117 N -2.67 0.00 -4.45 -1.77 0.18 -1.25 -0.49 117.16 106.71 1j12 n TYR 117 Ca -0.05 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.49 1j12 n TYR 117 Cb 0.67 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.54 1j12 n TYR 117 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1j12 s PHE 118 N -0.83 2.38 -0.13 -3.48 0.40 -0.54 -4.70 117.98 111.08 1j12 s PHE 118 Ca 0.00 -0.34 -0.06 0.00 -0.60 0.00 0.00 56.93 55.93 1j12 s PHE 118 Cb 0.00 -1.11 0.06 0.00 0.51 0.00 0.00 43.02 42.48 1j12 s PHE 118 CO 0.00 0.67 0.29 0.21 0.70 0.00 0.00 175.22 177.09 1j12 s LYS 119 N -3.56 0.23 0.47 0.44 2.20 -1.25 -0.26 119.74 118.01 1j12 s LYS 119 Ca 0.31 0.67 -0.08 0.00 -0.36 0.00 0.00 55.97 56.51 1j12 s LYS 119 Cb -0.04 -0.05 0.11 0.00 -1.51 0.00 0.00 37.83 36.34 1j12 s LYS 119 CO 0.16 -0.20 0.56 -1.13 -0.36 0.00 0.00 175.35 174.38 1j12 n SER 120 N 4.64 -0.42 -0.19 1.43 3.41 0.00 -2.05 113.62 120.45 1j12 n SER 120 Ca -0.18 -1.09 -0.05 0.00 -0.26 0.00 0.00 58.87 57.29 1j12 n SER 120 Cb 0.52 -0.45 0.12 0.00 -0.26 0.00 0.00 64.21 64.13 1j12 n SER 120 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1j12 h GLU 121 N 0.00 0.97 -0.12 4.33 5.08 -1.87 -2.31 114.58 120.67 1j12 h GLU 121 Ca -0.19 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1j12 h GLU 121 Cb 0.54 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1j12 h GLU 121 CO 0.13 0.89 0.00 0.25 -1.00 0.00 0.00 179.01 179.28 1j12 n THR 122 N -4.24 0.15 -0.63 1.13 -2.24 -1.26 -4.91 114.28 102.28 1j12 n THR 122 Ca 0.04 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1j12 n THR 122 Cb 0.26 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1j12 n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j12 n GLY 123 N 1.01 0.67 3.66 3.38 0.00 -0.87 -5.03 105.19 108.01 1j12 n GLY 123 Ca 0.15 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1j12 n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j12 s THR 124 N -2.00 4.28 0.04 2.61 2.01 -1.26 -4.68 115.64 116.64 1j12 s THR 124 Ca 0.00 1.56 -0.24 0.00 0.31 0.00 0.00 61.69 63.32 1j12 s THR 124 Cb 0.00 -4.00 -0.06 0.00 0.01 0.00 0.00 72.50 68.45 1j12 s THR 124 CO 0.00 -0.12 0.74 -0.69 -0.69 0.00 0.00 174.62 173.86 1j12 s VAL 125 N 3.34 4.74 -0.07 3.82 1.01 -1.26 -0.82 120.40 131.15 1j12 s VAL 125 Ca 0.55 1.57 0.05 0.00 0.00 0.00 0.00 61.98 64.15 1j12 s VAL 125 Cb -0.22 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1j12 s VAL 125 CO 0.15 0.39 -0.24 0.21 0.00 0.00 0.00 175.10 175.60 1j12 s ASN 126 N -0.16 3.10 -0.27 3.32 3.84 0.65 -4.95 114.94 120.46 1j12 s ASN 126 Ca 0.37 -0.52 0.21 0.00 0.21 0.00 0.00 52.86 53.13 1j12 s ASN 126 Cb -0.20 -1.04 0.50 0.00 -0.55 0.00 0.00 41.25 39.96 1j12 s ASN 126 CO 0.22 0.22 1.10 0.29 -2.79 0.00 0.00 177.10 176.14 1j12 n LYS 127 N 3.14 1.83 0.00 0.43 5.02 -1.26 -1.46 118.16 125.85 1j12 n LYS 127 Ca -0.18 -3.54 0.13 0.00 -2.02 0.00 0.00 58.31 52.70 1j12 n LYS 127 Cb 0.52 -1.63 0.33 0.00 -0.02 0.00 0.00 35.03 34.23 1j12 n LYS 127 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1j12 n GLU 128 N -0.56 1.37 -3.59 1.97 0.28 -1.26 -4.88 120.64 113.97 1j12 n GLU 128 Ca 0.10 -0.93 -0.07 0.00 -0.16 0.00 0.00 57.16 56.11 1j12 n GLU 128 Cb 0.81 -1.48 -0.02 0.00 1.43 0.00 0.00 31.44 32.18 1j12 n GLU 128 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1j12 s THR 129 N -2.26 0.00 0.10 3.84 -1.32 -1.26 -0.02 115.64 114.71 1j12 s THR 129 Ca 0.28 -0.25 -0.30 0.00 -1.21 0.00 0.00 61.69 60.21 1j12 s THR 129 Cb 0.20 -1.37 -0.05 0.00 -1.51 0.00 0.00 72.50 69.76 1j12 s THR 129 CO 0.44 0.00 0.97 -0.76 -2.21 0.00 0.00 174.62 173.06 1j12 s LEU 130 N -2.67 4.48 0.05 9.08 1.43 -1.26 -4.81 118.68 124.98 1j12 s LEU 130 Ca 0.07 1.79 -0.30 0.00 -1.03 0.00 0.00 54.13 54.66 1j12 s LEU 130 Cb -0.01 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 1j12 s LEU 130 CO -0.05 -0.10 1.88 0.21 0.23 0.00 0.00 176.35 178.52 1j12 s ASN 131 N 0.14 6.48 0.36 2.29 3.84 0.36 -4.83 114.94 123.58 1j12 s ASN 131 Ca 0.48 2.64 0.17 0.00 0.21 0.00 0.00 52.86 56.35 1j12 s ASN 131 Cb -0.23 -2.54 0.92 0.00 -0.55 0.00 0.00 41.25 38.85 1j12 s ASN 131 CO 0.30 -1.02 1.45 -0.65 -2.79 0.00 0.00 177.10 174.39 1j12 h PRO 132 N 9.81 0.00 0.00 0.43 0.11 -1.90 -0.69 132.00 139.76 1j12 h PRO 132 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1j12 h PRO 132 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1j12 h PRO 132 CO 0.94 0.00 -0.22 -0.07 -0.21 0.00 0.00 178.00 178.45 1j12 h LEU 133 N 0.00 0.00 -5.23 2.35 3.38 -1.88 -3.31 115.31 110.63 1j12 h LEU 133 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1j12 h LEU 133 Cb 0.48 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1j12 h LEU 133 CO 0.00 0.22 2.70 0.00 0.09 0.00 0.00 178.44 181.45 1j12 n ALA 134 N -2.28 7.07 0.17 1.53 0.00 -0.27 -4.74 120.51 122.00 1j12 n ALA 134 Ca -0.01 -3.67 0.16 0.00 0.00 0.00 0.00 53.44 49.92 1j12 n ALA 134 Cb 0.36 -2.94 0.76 0.00 0.00 0.00 0.00 19.45 17.63 1j12 n ALA 134 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j12 h SER 135 N 4.56 0.00 -0.19 0.00 4.64 -1.83 -1.50 113.55 119.23 1j12 h SER 135 Ca 0.72 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.97 1j12 h SER 135 Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1j12 h SER 135 CO 1.49 0.00 -0.18 -2.24 -0.87 0.00 0.00 176.83 175.04 1j12 h ASP 136 N 0.00 0.48 0.09 4.97 2.03 -1.94 -1.27 116.42 120.78 1j12 h ASP 136 Ca 0.11 -0.47 -0.00 0.00 -0.73 0.00 0.00 57.03 55.94 1j12 h ASP 136 Cb 0.51 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.88 1j12 h ASP 136 CO -0.00 0.85 -0.04 0.58 -1.03 0.00 0.00 179.24 179.60 1j12 h VAL 137 N 0.12 1.15 -0.50 4.15 2.07 -1.83 -2.75 116.25 118.66 1j12 h VAL 137 Ca 0.03 -0.93 0.08 0.00 0.82 0.00 0.00 66.70 66.71 1j12 h VAL 137 Cb 0.71 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 32.15 1j12 h VAL 137 CO 0.04 0.22 0.12 0.40 0.02 0.00 0.00 177.57 178.37 1j12 h ILE 138 N -0.55 0.73 -0.97 4.57 2.04 -1.36 0.14 117.51 122.12 1j12 h ILE 138 Ca -0.01 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.81 1j12 h ILE 138 Cb 0.46 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 1j12 h ILE 138 CO 0.02 0.05 0.63 -0.09 0.00 0.00 0.00 178.15 178.75 1j12 h ARG 139 N 0.26 1.16 0.13 2.37 2.43 -1.23 -0.08 114.38 119.41 1j12 h ARG 139 Ca 0.25 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1j12 h ARG 139 Cb 0.33 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1j12 h ARG 139 CO -0.32 0.77 -0.06 -0.22 -1.51 0.00 0.00 179.97 178.63 1j12 h LYS 140 N 1.19 -0.17 -0.86 0.20 3.64 -0.94 -2.51 116.57 117.13 1j12 h LYS 140 Ca 0.40 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.86 1j12 h LYS 140 Cb 0.06 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 1j12 h LYS 140 CO -0.14 -0.11 0.53 0.93 -2.27 0.00 0.00 179.45 178.38 1j12 h GLU 141 N -0.35 0.91 -0.11 1.90 4.39 -1.04 -0.05 114.58 120.23 1j12 h GLU 141 Ca -0.02 -0.05 -0.19 0.00 0.34 0.00 0.00 59.36 59.43 1j12 h GLU 141 Cb 0.13 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1j12 h GLU 141 CO 0.03 0.60 -0.73 1.88 -1.16 0.00 0.00 179.01 179.64 1j12 h TYR 142 N 0.94 0.72 -0.35 4.33 -1.99 -1.17 -0.63 116.97 118.82 1j12 h TYR 142 Ca 0.38 -0.31 -0.02 0.00 2.00 0.00 0.00 58.73 60.78 1j12 h TYR 142 Cb 0.22 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.82 1j12 h TYR 142 CO -0.04 1.09 0.14 0.78 -0.00 0.00 0.00 178.16 180.13 1j12 h GLY 143 N 1.04 0.56 0.85 3.88 0.00 -0.95 0.36 103.07 108.82 1j12 h GLY 143 Ca -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1j12 h GLY 143 CO 0.13 0.29 0.04 0.83 0.00 0.00 0.00 176.54 177.84 1j12 h GLU 144 N 0.42 0.23 -0.27 4.80 5.08 -1.00 -2.34 114.58 121.49 1j12 h GLU 144 Ca 0.12 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1j12 h GLU 144 Cb 0.19 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1j12 h GLU 144 CO -0.01 0.37 0.16 1.25 -1.00 0.00 0.00 179.01 179.78 1j12 h LEU 145 N 0.06 0.27 -0.70 1.33 5.85 -0.99 -0.20 115.31 120.92 1j12 h LEU 145 Ca 0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1j12 h LEU 145 Cb 0.23 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1j12 h LEU 145 CO -0.00 0.20 0.39 1.88 -0.34 0.00 0.00 178.44 180.56 1j12 h TYR 146 N 0.34 0.96 -0.41 1.25 0.99 -0.91 -0.14 116.97 119.06 1j12 h TYR 146 Ca 0.11 -0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.69 1j12 h TYR 146 Cb -0.01 -0.31 -0.01 0.00 1.00 0.00 0.00 36.73 37.40 1j12 h TYR 146 CO -0.07 0.68 -0.22 1.15 -0.00 0.00 0.00 178.16 179.70 1j12 h THR 147 N 0.97 1.28 -0.39 -2.88 2.02 -1.18 -1.43 112.91 111.29 1j12 h THR 147 Ca 0.25 -1.36 -0.13 0.00 0.77 0.00 0.00 66.41 65.94 1j12 h THR 147 Cb 0.03 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1j12 h THR 147 CO -0.04 0.46 -0.27 0.00 0.37 0.00 0.00 175.52 176.03 1j12 h ALA 148 N 0.81 0.77 -0.25 6.16 0.00 -0.90 -2.84 119.26 123.03 1j12 h ALA 148 Ca 0.09 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1j12 h ALA 148 Cb 0.78 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1j12 h ALA 148 CO 0.06 0.65 0.04 0.35 0.00 0.00 0.00 179.25 180.35 1j12 h PHE 149 N 0.71 0.44 -0.96 0.00 3.57 -0.93 -2.45 116.94 117.31 1j12 h PHE 149 Ca 0.09 -0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.60 1j12 h PHE 149 Cb 0.82 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 1j12 h PHE 149 CO 0.05 0.53 0.62 0.00 -2.23 0.00 0.00 178.31 177.28 1j12 h ALA 150 N 0.85 1.48 -0.20 2.41 0.00 -1.21 -1.57 119.26 121.02 1j12 h ALA 150 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1j12 h ALA 150 Cb 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1j12 h ALA 150 CO 0.01 0.36 -0.00 0.00 0.00 0.00 0.00 179.25 179.61 1j12 h ALA 151 N 1.49 0.27 -0.39 0.00 0.00 -1.39 -0.83 119.26 118.42 1j12 h ALA 151 Ca 0.43 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1j12 h ALA 151 Cb 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1j12 h ALA 151 CO -0.18 -0.01 0.04 0.00 0.00 0.00 0.00 179.25 179.10 1j12 h ALA 152 N 0.79 1.35 -0.01 0.00 0.00 -1.08 -2.85 119.26 117.45 1j12 h ALA 152 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1j12 h ALA 152 Cb 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1j12 h ALA 152 CO 0.01 0.45 -0.27 -1.33 0.00 0.00 0.00 179.25 178.11 1j12 n MET 153 N -4.29 0.85 -0.27 0.00 2.81 -0.62 -4.38 117.12 111.23 1j12 n MET 153 Ca 0.02 -0.52 0.08 0.00 -1.81 0.00 0.00 57.70 55.47 1j12 n MET 153 Cb 0.23 -1.49 0.21 0.00 -0.71 0.00 0.00 33.22 31.46 1j12 n MET 153 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1j12 h LYS 154 N 1.27 0.19 0.00 0.03 3.64 -0.90 0.61 116.57 121.41 1j12 h LYS 154 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1j12 h LYS 154 Cb 0.52 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1j12 h LYS 154 CO 0.00 0.13 0.00 -0.35 -2.27 0.00 0.00 179.45 176.96 1j12 n PRO 155 N -5.24 0.12 -0.18 1.90 -0.04 -1.26 -2.58 135.00 127.72 1j12 n PRO 155 Ca 0.17 0.21 0.08 0.00 -0.04 0.00 0.00 63.50 63.91 1j12 n PRO 155 Cb 0.54 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.66 1j12 n PRO 155 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1j12 n TYR 156 N -1.34 0.33 -0.09 0.54 4.02 0.20 -4.75 117.16 116.06 1j12 n TYR 156 Ca 0.05 -0.84 0.25 0.00 -0.01 0.00 0.00 57.90 57.35 1j12 n TYR 156 Cb 0.11 -0.17 0.72 0.00 -0.02 0.00 0.00 39.34 39.97 1j12 n TYR 156 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1j12 h LYS 157 N 0.73 0.00 0.00 -0.72 2.10 -1.39 -0.75 116.57 116.54 1j12 h LYS 157 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1j12 h LYS 157 Cb 1.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1j12 h LYS 157 CO 0.07 0.00 0.00 0.38 -2.00 0.00 0.00 179.45 177.90 1j12 h ASP 158 N 0.00 0.00 -0.02 7.07 2.03 -1.87 -2.98 116.42 120.65 1j12 h ASP 158 Ca 0.35 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.65 1j12 h ASP 158 Cb 1.44 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.94 1j12 h ASP 158 CO -0.00 0.00 -0.24 1.33 -1.03 0.00 0.00 179.24 179.30 1j12 n VAL 159 N -2.73 0.00 -3.22 4.15 0.24 -0.29 -4.92 118.33 111.56 1j12 n VAL 159 Ca 0.01 -0.38 -0.41 0.00 -2.04 0.00 0.00 64.34 61.52 1j12 n VAL 159 Cb 0.28 1.26 -0.08 0.00 -1.47 0.00 0.00 33.84 33.84 1j12 n VAL 159 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1j12 s ILE 160 N -1.85 5.00 -0.12 1.34 1.01 -1.13 -0.11 121.20 125.34 1j12 s ILE 160 Ca 0.17 0.40 0.17 0.00 0.00 0.00 0.00 60.65 61.38 1j12 s ILE 160 Cb 0.14 -3.98 -0.14 0.00 0.01 0.00 0.00 42.46 38.49 1j12 s ILE 160 CO 0.37 -0.22 0.80 0.00 0.00 0.00 0.00 174.94 175.88 1j12 n ALA 161 N 5.79 1.92 -3.59 9.38 0.00 0.22 -4.92 120.51 129.31 1j12 n ALA 161 Ca -0.04 -0.57 -0.05 0.00 0.00 0.00 0.00 53.44 52.78 1j12 n ALA 161 Cb 0.49 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 1j12 n ALA 161 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1j12 s LYS 162 N -2.91 0.73 -0.03 0.00 2.20 -1.25 -4.39 119.74 114.08 1j12 s LYS 162 Ca -0.03 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.29 1j12 s LYS 162 Cb 0.09 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.71 1j12 s LYS 162 CO 0.81 -0.32 -0.12 0.42 -0.36 0.00 0.00 175.35 175.78 1j12 s ILE 163 N -2.91 1.02 -0.08 5.43 1.01 -0.86 -3.47 121.20 121.35 1j12 s ILE 163 Ca 0.09 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 1j12 s ILE 163 Cb -0.00 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 1j12 s ILE 163 CO -0.05 0.31 -0.02 -0.31 0.00 0.00 0.00 174.94 174.87 1j12 s TYR 164 N 0.14 3.10 0.01 3.97 1.51 0.11 -0.60 117.35 125.60 1j12 s TYR 164 Ca -0.03 0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.20 1j12 s TYR 164 Cb -0.10 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 1j12 s TYR 164 CO 0.01 0.44 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.34 1j12 s LEU 165 N -0.90 3.30 -0.30 -1.29 1.43 -0.03 -1.22 118.68 119.67 1j12 s LEU 165 Ca 0.13 -0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 52.96 1j12 s LEU 165 Cb -0.11 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1j12 s LEU 165 CO 0.02 0.27 0.47 -0.55 0.23 0.00 0.00 176.35 176.79 1j12 s SER 166 N -1.54 6.33 0.00 2.29 0.15 -1.23 -4.46 113.70 115.24 1j12 s SER 166 Ca 0.19 0.23 0.26 0.00 0.70 0.00 0.00 55.95 57.32 1j12 s SER 166 Cb -0.11 -2.25 0.62 0.00 -1.71 0.00 0.00 66.02 62.56 1j12 s SER 166 CO 0.09 -0.33 1.50 0.61 1.20 0.00 0.00 173.24 176.32 1j12 n GLY 167 N 4.64 0.56 0.00 9.45 0.00 -1.24 -4.77 105.19 113.82 1j12 n GLY 167 Ca -0.06 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1j12 n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j12 n GLY 168 N 1.27 -0.55 3.64 -0.02 0.00 -0.65 -4.18 105.19 104.70 1j12 n GLY 168 Ca 0.17 -0.69 -0.46 0.00 0.00 0.00 0.00 46.02 45.03 1j12 n GLY 168 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1j12 n PRO 169 N 0.00 1.71 -2.18 1.61 -0.02 -1.20 -1.09 135.00 133.84 1j12 n PRO 169 Ca 0.00 0.61 -0.13 0.00 -2.02 0.00 0.00 63.50 61.96 1j12 n PRO 169 Cb 0.00 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.24 1j12 n PRO 169 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j12 n ALA 170 N 1.88 -0.63 -1.04 3.55 0.00 -1.26 -0.97 120.51 122.04 1j12 n ALA 170 Ca 0.13 0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.69 1j12 n ALA 170 Cb 0.28 -1.50 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 1j12 n ALA 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j12 n GLY 171 N -0.67 0.51 3.44 0.00 0.00 -0.25 -5.03 105.19 103.19 1j12 n GLY 171 Ca -0.15 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 1j12 n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j12 s GLU 172 N -1.22 1.99 -0.85 1.61 2.02 -0.15 -3.73 118.70 118.38 1j12 s GLU 172 Ca 0.00 -1.02 -0.25 0.00 0.02 0.00 0.00 54.97 53.72 1j12 s GLU 172 Cb 0.00 -2.14 0.01 0.00 0.10 0.00 0.00 34.13 32.10 1j12 s GLU 172 CO 0.00 0.53 1.57 -1.17 0.02 0.00 0.00 175.26 176.21 1j12 s LEU 173 N -1.47 3.30 0.00 1.80 2.96 -0.71 -1.63 118.68 122.93 1j12 s LEU 173 Ca 0.14 -0.73 -0.15 0.00 -0.22 0.00 0.00 54.13 53.17 1j12 s LEU 173 Cb -0.10 -2.56 0.06 0.00 0.50 0.00 0.00 46.19 44.08 1j12 s LEU 173 CO 0.05 -2.00 0.75 -2.11 -1.32 0.00 0.00 176.35 171.72 1j12 n ARG 174 N 9.07 0.65 -4.03 1.98 1.85 -1.26 -4.68 116.66 120.23 1j12 n ARG 174 Ca 0.24 -1.38 -0.29 0.00 -1.00 0.00 0.00 57.85 55.42 1j12 n ARG 174 Cb 0.50 1.81 -0.06 0.00 -1.05 0.00 0.00 32.46 33.66 1j12 n ARG 174 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1j12 s TYR 175 N -3.15 3.24 -0.99 2.89 1.51 -0.94 -4.46 117.35 115.44 1j12 s TYR 175 Ca 0.16 0.08 -0.08 0.00 -1.01 0.00 0.00 57.07 56.23 1j12 s TYR 175 Cb -0.03 -1.61 -0.12 0.00 -0.11 0.00 0.00 41.96 40.09 1j12 s TYR 175 CO 0.06 0.53 2.81 -0.35 -1.11 0.00 0.00 175.55 177.49 1j12 n PRO 176 N 0.19 2.74 0.17 -1.71 -0.04 -1.26 -4.52 135.00 130.57 1j12 n PRO 176 Ca -0.08 -1.64 0.04 0.00 -0.04 0.00 0.00 63.50 61.79 1j12 n PRO 176 Cb 0.52 -2.47 0.20 0.00 -0.04 0.00 0.00 33.50 31.72 1j12 n PRO 176 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1j12 h SER 177 N 4.88 0.00 -4.09 3.54 4.64 -1.82 -3.40 113.55 117.30 1j12 h SER 177 Ca 0.58 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 61.22 1j12 h SER 177 Cb 0.54 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.26 1j12 h SER 177 CO 1.27 0.43 -0.48 -0.72 -0.87 0.00 0.00 176.83 176.46 1j12 s TYR 178 N -3.29 3.39 0.07 4.77 -0.85 -1.26 -3.33 117.35 116.86 1j12 s TYR 178 Ca 0.02 -2.82 0.04 0.00 -0.52 0.00 0.00 57.07 53.79 1j12 s TYR 178 Cb 0.09 -3.09 -0.03 0.00 0.38 0.00 0.00 41.96 39.31 1j12 s TYR 178 CO 0.71 -0.84 -0.11 0.95 -1.52 0.00 0.00 175.55 174.74 1j12 s THR 179 N 0.08 0.93 0.13 -3.49 -4.23 -1.26 -4.63 115.64 103.17 1j12 s THR 179 Ca 0.16 -1.37 -0.18 0.00 -1.18 0.00 0.00 61.69 59.11 1j12 s THR 179 Cb -0.22 -1.07 -0.03 0.00 1.34 0.00 0.00 72.50 72.52 1j12 s THR 179 CO -0.03 -0.37 1.77 0.74 -0.54 0.00 0.00 174.62 176.19 1j12 h THR 180 N 4.09 1.09 -0.79 3.99 2.02 -1.92 0.11 112.91 121.50 1j12 h THR 180 Ca -0.39 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 1j12 h THR 180 Cb 1.19 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 1j12 h THR 180 CO 0.44 0.09 0.49 0.28 0.37 0.00 0.00 175.52 177.19 1j12 h SER 181 N 0.38 0.95 0.18 4.18 0.02 -1.99 -0.35 113.55 116.91 1j12 h SER 181 Ca 0.11 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1j12 h SER 181 Cb -0.01 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1j12 h SER 181 CO -0.02 0.72 -0.01 -0.67 -1.14 0.00 0.00 176.83 175.72 1j12 n ASP 182 N -4.48 0.08 -3.50 3.07 4.64 -1.11 -4.90 116.55 110.34 1j12 n ASP 182 Ca 0.08 -0.75 -0.21 0.00 -1.38 0.00 0.00 54.79 52.53 1j12 n ASP 182 Cb 0.05 -0.08 0.08 0.00 -1.04 0.00 0.00 41.12 40.13 1j12 n ASP 182 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1j12 n GLY 183 N 1.10 -0.46 0.15 0.27 0.00 -0.14 -4.92 105.19 101.20 1j12 n GLY 183 Ca 0.21 0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.46 1j12 n GLY 183 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j12 n THR 184 N -4.61 1.19 -1.27 2.61 -2.24 0.26 -4.93 114.28 105.29 1j12 n THR 184 Ca -0.12 -1.40 -0.29 0.00 -2.27 0.00 0.00 64.05 59.97 1j12 n THR 184 Cb 0.61 0.13 0.14 0.00 -2.10 0.00 0.00 70.33 69.11 1j12 n THR 184 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1j12 s GLY 185 N -1.96 1.60 0.30 3.38 0.00 -1.21 -4.07 107.32 105.37 1j12 s GLY 185 Ca 0.17 -0.20 -0.29 0.00 0.00 0.00 0.00 44.72 44.40 1j12 s GLY 185 CO 0.02 0.32 1.32 2.98 0.00 0.00 0.00 173.10 177.74 1j12 n TYR 186 N -3.89 2.18 -0.80 1.90 9.36 -1.26 -0.31 117.16 124.33 1j12 n TYR 186 Ca 0.06 0.51 -0.01 0.00 3.32 0.00 0.00 57.90 61.79 1j12 n TYR 186 Cb 0.56 -2.43 0.32 0.00 -0.63 0.00 0.00 39.34 37.16 1j12 n TYR 186 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1j12 n PRO 187 N 1.15 3.94 -1.23 2.98 -0.04 -1.26 -5.12 135.00 135.42 1j12 n PRO 187 Ca 0.08 -2.84 -0.30 0.00 -0.04 0.00 0.00 63.50 60.39 1j12 n PRO 187 Cb 0.34 -2.17 0.11 0.00 -0.04 0.00 0.00 33.50 31.74 1j12 n PRO 187 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1j12 s SER 188 N -0.80 4.03 0.69 3.54 0.01 0.57 -4.69 113.70 117.05 1j12 s SER 188 Ca 0.50 1.67 -0.11 0.00 1.31 0.00 0.00 55.95 59.32 1j12 s SER 188 Cb 0.39 -2.36 0.01 0.00 0.21 0.00 0.00 66.02 64.28 1j12 s SER 188 CO 0.13 -2.31 1.06 0.00 0.41 0.00 0.00 173.24 172.53 1j12 s ARG 189 N -4.92 2.88 0.35 12.44 1.70 -1.26 -4.77 118.95 125.37 1j12 s ARG 189 Ca 0.62 1.02 0.02 0.00 -0.47 0.00 0.00 55.73 56.92 1j12 s ARG 189 Cb -0.17 -1.98 -0.02 0.00 -0.57 0.00 0.00 34.95 32.20 1j12 s ARG 189 CO 0.56 -1.15 0.53 0.20 -1.08 0.00 0.00 175.30 174.37 1j12 s GLY 190 N -3.61 1.41 0.01 3.88 0.00 -0.51 -4.68 107.32 103.82 1j12 s GLY 190 Ca 0.59 -1.09 0.01 0.00 0.00 0.00 0.00 44.72 44.23 1j12 s GLY 190 CO 0.53 -1.01 0.03 0.54 0.00 0.00 0.00 173.10 173.19 1j12 s LYS 191 N -4.29 2.86 0.30 2.90 1.02 -1.21 -4.76 119.74 116.57 1j12 s LYS 191 Ca 0.42 -0.60 -0.29 0.00 0.02 0.00 0.00 55.97 55.52 1j12 s LYS 191 Cb -0.10 -2.72 -0.10 0.00 -0.52 0.00 0.00 37.83 34.39 1j12 s LYS 191 CO 0.34 0.62 1.23 -0.06 -0.92 0.00 0.00 175.35 176.57 1j12 s PHE 192 N -1.17 3.25 -0.76 3.18 0.40 -1.26 -4.59 117.98 117.03 1j12 s PHE 192 Ca 0.22 1.50 0.03 0.00 -0.60 0.00 0.00 56.93 58.08 1j12 s PHE 192 Cb -0.12 -3.53 0.32 0.00 0.51 0.00 0.00 43.02 40.19 1j12 s PHE 192 CO 0.13 -1.39 1.20 1.04 0.70 0.00 0.00 175.22 176.90 1j12 n GLN 193 N 1.06 3.85 -2.77 0.44 1.13 -1.26 -2.88 117.38 116.94 1j12 n GLN 193 Ca -0.00 -4.75 -0.03 0.00 -1.94 0.00 0.00 57.00 50.28 1j12 n GLN 193 Cb 0.43 -2.33 0.06 0.00 0.11 0.00 0.00 30.24 28.50 1j12 n GLN 193 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j12 n ALA 194 N 0.13 2.76 -0.54 -1.58 0.00 -1.17 -4.57 120.51 115.55 1j12 n ALA 194 Ca 0.35 -2.60 0.07 0.00 0.00 0.00 0.00 53.44 51.26 1j12 n ALA 194 Cb 0.35 -0.89 0.20 0.00 0.00 0.00 0.00 19.45 19.11 1j12 n ALA 194 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j12 n TYR 195 N -0.57 0.70 -2.33 0.00 4.02 -0.87 -4.23 117.16 113.89 1j12 n TYR 195 Ca 0.04 -0.66 -0.32 0.00 -0.01 0.00 0.00 57.90 56.95 1j12 n TYR 195 Cb 0.82 -0.16 -0.03 0.00 -0.02 0.00 0.00 39.34 39.95 1j12 n TYR 195 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1j12 s THR 196 N -1.81 4.49 0.44 -0.72 -4.23 -1.26 -4.89 115.64 107.66 1j12 s THR 196 Ca 0.32 1.16 0.12 0.00 -1.18 0.00 0.00 61.69 62.11 1j12 s THR 196 Cb 0.22 -3.70 0.30 0.00 1.34 0.00 0.00 72.50 70.66 1j12 s THR 196 CO 0.13 -0.71 2.02 -0.33 -0.54 0.00 0.00 174.62 175.19 1j12 h GLU 197 N 0.78 0.40 -0.53 3.99 4.39 -1.93 -0.97 114.58 120.70 1j12 h GLU 197 Ca -0.47 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.12 1j12 h GLU 197 Cb 1.19 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.73 1j12 h GLU 197 CO 0.61 0.26 -0.03 0.35 -1.16 0.00 0.00 179.01 179.05 1j12 h PHE 198 N 0.41 1.00 -0.34 4.33 3.57 -1.92 -1.61 116.94 122.40 1j12 h PHE 198 Ca 0.21 -0.17 -0.16 0.00 3.53 0.00 0.00 57.97 61.38 1j12 h PHE 198 Cb 0.29 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1j12 h PHE 198 CO -0.00 0.92 -0.42 0.00 -2.23 0.00 0.00 178.31 176.58 1j12 h ALA 199 N 1.11 0.50 -0.60 2.41 0.00 -1.52 -1.84 119.26 119.33 1j12 h ALA 199 Ca 0.15 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1j12 h ALA 199 Cb 0.54 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1j12 h ALA 199 CO 0.03 0.63 0.33 0.87 0.00 0.00 0.00 179.25 181.11 1j12 h LYS 200 N 0.67 0.84 -0.44 0.00 1.57 -1.07 -0.77 116.57 117.37 1j12 h LYS 200 Ca 0.04 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1j12 h LYS 200 Cb 1.01 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1j12 h LYS 200 CO 0.10 0.63 0.05 0.66 -0.57 0.00 0.00 179.45 180.32 1j12 h SER 201 N 0.81 0.71 -0.55 0.86 4.64 -1.26 -0.66 113.55 118.11 1j12 h SER 201 Ca 0.21 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 1j12 h SER 201 Cb 0.04 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.91 1j12 h SER 201 CO -0.03 0.81 0.28 0.11 -0.87 0.00 0.00 176.83 177.13 1j12 h LYS 202 N 0.59 0.78 0.29 4.77 1.79 -1.04 0.18 116.57 123.94 1j12 h LYS 202 Ca 0.13 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1j12 h LYS 202 Cb 0.41 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1j12 h LYS 202 CO 0.01 0.62 -0.14 0.35 -1.08 0.00 0.00 179.45 179.22 1j12 h PHE 203 N 0.74 -0.36 -0.97 -1.35 3.57 -1.02 -0.24 116.94 117.31 1j12 h PHE 203 Ca 0.19 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.84 1j12 h PHE 203 Cb 0.08 0.12 -0.10 0.00 2.79 0.00 0.00 35.95 38.84 1j12 h PHE 203 CO -0.01 -0.18 0.58 -0.09 -2.23 0.00 0.00 178.31 176.38 1j12 h ARG 204 N -0.45 0.79 -0.31 1.11 2.43 -0.85 0.95 114.38 118.05 1j12 h ARG 204 Ca -0.04 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 58.92 1j12 h ARG 204 Cb 0.34 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1j12 h ARG 204 CO 0.06 0.52 -0.43 -0.07 -1.51 0.00 0.00 179.97 178.55 1j12 h LEU 205 N 0.81 0.91 -0.70 3.80 3.38 -0.30 -0.62 115.31 122.59 1j12 h LEU 205 Ca 0.53 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1j12 h LEU 205 Cb 0.72 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1j12 h LEU 205 CO -0.34 1.24 0.35 -0.25 0.09 0.00 0.00 178.44 179.53 1j12 h TRP 206 N 0.62 1.00 0.79 1.13 7.01 0.20 0.11 115.95 126.81 1j12 h TRP 206 Ca 0.03 -0.04 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 1j12 h TRP 206 Cb 1.03 -0.31 0.01 0.00 -2.10 0.00 0.00 29.16 27.78 1j12 h TRP 206 CO 0.07 0.73 -0.38 0.28 -2.79 0.00 0.00 178.44 176.36 1j12 h VAL 207 N 0.98 0.00 -0.46 2.65 2.07 -0.76 0.74 116.25 121.47 1j12 h VAL 207 Ca 0.24 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.65 1j12 h VAL 207 Cb 0.10 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.84 1j12 h VAL 207 CO -0.03 0.00 0.31 -0.07 0.02 0.00 0.00 177.57 177.80 1j12 h LEU 208 N -1.24 0.30 -0.25 2.57 3.38 -1.10 0.93 115.31 119.91 1j12 h LEU 208 Ca -0.11 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 1j12 h LEU 208 Cb 0.81 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1j12 h LEU 208 CO 0.18 0.19 -0.27 -1.13 0.09 0.00 0.00 178.44 177.50 1j12 h ASN 209 N 0.34 0.66 -0.53 -0.43 -0.73 -0.69 0.66 115.58 114.87 1j12 h ASN 209 Ca 0.21 -0.48 -0.06 0.00 1.87 0.00 0.00 56.30 57.83 1j12 h ASN 209 Cb 0.38 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 1j12 h ASN 209 CO -0.05 1.01 0.09 0.50 -0.37 0.00 0.00 177.43 178.61 1j12 h LYS 210 N 0.33 0.87 -0.01 6.67 3.64 0.66 -3.23 116.57 125.49 1j12 h LYS 210 Ca 0.04 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1j12 h LYS 210 Cb 0.84 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1j12 h LYS 210 CO 0.07 0.85 -0.49 0.66 -2.27 0.00 0.00 179.45 178.26 1j12 n TYR 211 N -4.38 0.00 0.00 1.91 0.53 0.17 -4.99 117.16 110.40 1j12 n TYR 211 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.90 1j12 n TYR 211 Cb 0.26 -0.02 0.00 0.00 -1.03 0.00 0.00 39.34 38.55 1j12 n TYR 211 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1j12 n GLY 212 N 1.42 0.89 3.18 2.72 0.00 0.23 -4.43 105.19 109.20 1j12 n GLY 212 Ca 0.09 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 1j12 n GLY 212 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j12 s SER 213 N 0.00 1.42 0.65 1.61 1.04 -1.26 -4.86 113.70 112.30 1j12 s SER 213 Ca 0.00 -0.85 0.41 0.00 0.48 0.00 0.00 55.95 55.99 1j12 s SER 213 Cb 0.00 0.02 2.26 0.00 0.10 0.00 0.00 66.02 68.40 1j12 s SER 213 CO 0.00 -0.29 2.33 0.25 0.98 0.00 0.00 173.24 176.51 1j12 h LEU 214 N 3.45 0.00 0.51 2.42 6.46 -1.93 -1.03 115.31 125.20 1j12 h LEU 214 Ca -0.37 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.37 1j12 h LEU 214 Cb 1.19 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.12 1j12 h LEU 214 CO 0.55 0.00 -0.25 0.78 -0.62 0.00 0.00 178.44 178.90 1j12 h ASN 215 N 0.00 -0.58 -0.09 1.25 4.21 -1.94 0.20 115.58 118.63 1j12 h ASN 215 Ca 0.00 0.02 0.03 0.00 1.21 0.00 0.00 56.30 57.56 1j12 h ASN 215 Cb 0.04 0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.39 1j12 h ASN 215 CO -0.00 -0.39 0.07 -0.33 -1.29 0.00 0.00 177.43 175.49 1j12 h GLU 216 N -0.75 0.00 -0.08 0.81 4.39 -1.54 0.13 114.58 117.53 1j12 h GLU 216 Ca -0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1j12 h GLU 216 Cb 0.53 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1j12 h GLU 216 CO 0.12 0.00 -0.00 0.28 -1.16 0.00 0.00 179.01 178.24 1j12 h VAL 217 N 0.00 1.26 -0.26 3.13 2.07 -1.11 -0.29 116.25 121.05 1j12 h VAL 217 Ca 0.04 -0.80 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 1j12 h VAL 217 Cb 0.18 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1j12 h VAL 217 CO -0.00 0.23 -0.26 0.78 0.02 0.00 0.00 177.57 178.34 1j12 h ASN 218 N -0.14 0.50 0.65 0.57 2.35 0.09 -0.53 115.58 119.08 1j12 h ASN 218 Ca 0.02 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.57 1j12 h ASN 218 Cb 0.35 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 38.59 1j12 h ASN 218 CO 0.00 0.75 -0.31 0.11 -1.65 0.00 0.00 177.43 176.34 1j12 h LYS 219 N 0.44 -0.84 -0.88 0.81 1.57 -0.68 0.43 116.57 117.42 1j12 h LYS 219 Ca 0.06 0.06 0.14 0.00 -1.87 0.00 0.00 60.65 59.04 1j12 h LYS 219 Cb 0.68 0.19 -0.07 0.00 0.08 0.00 0.00 32.23 33.12 1j12 h LYS 219 CO 0.05 -0.56 0.57 0.00 -0.57 0.00 0.00 179.45 178.94 1j12 h ALA 220 N -1.41 1.85 0.00 3.86 0.00 -1.03 -0.48 119.26 122.04 1j12 h ALA 220 Ca -0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1j12 h ALA 220 Cb 0.67 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1j12 h ALA 220 CO 0.15 -0.09 -0.56 0.91 0.00 0.00 0.00 179.25 179.65 1j12 n TRP 221 N -4.55 0.01 -2.24 0.00 7.02 -0.21 -4.80 117.44 112.67 1j12 n TRP 221 Ca 0.17 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.45 1j12 n TRP 221 Cb 0.47 -0.23 -0.03 0.00 -2.42 0.00 0.00 31.31 29.10 1j12 n TRP 221 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1j12 n GLY 222 N 1.50 0.01 3.86 6.99 0.00 0.14 -4.85 105.19 112.84 1j12 n GLY 222 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1j12 n GLY 222 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j12 s THR 223 N -2.98 1.98 -0.55 2.61 -1.32 -0.61 -5.02 115.64 109.75 1j12 s THR 223 Ca 0.00 -1.52 0.06 0.00 -1.21 0.00 0.00 61.69 59.02 1j12 s THR 223 Cb 0.00 -2.51 0.34 0.00 -1.51 0.00 0.00 72.50 68.82 1j12 s THR 223 CO 0.00 0.00 0.91 0.29 -2.21 0.00 0.00 174.62 173.61 1j12 n LYS 224 N -1.59 2.86 -2.19 7.08 4.76 -1.26 -4.63 118.16 123.20 1j12 n LYS 224 Ca -0.01 -4.62 -0.42 0.00 -2.87 0.00 0.00 58.31 50.38 1j12 n LYS 224 Cb 0.64 -2.15 -0.03 0.00 -1.84 0.00 0.00 35.03 31.65 1j12 n LYS 224 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1j12 s LEU 225 N -3.28 4.28 -0.02 -0.35 1.43 -1.26 -4.94 118.68 114.54 1j12 s LEU 225 Ca 0.47 2.04 -0.25 0.00 -1.03 0.00 0.00 54.13 55.37 1j12 s LEU 225 Cb 0.29 -3.54 -0.19 0.00 0.03 0.00 0.00 46.19 42.77 1j12 s LEU 225 CO -0.13 -0.81 1.23 -0.29 0.23 0.00 0.00 176.35 176.58 1j12 h ILE 226 N 5.34 1.42 -3.15 -0.59 6.09 -1.98 -3.47 117.51 121.18 1j12 h ILE 226 Ca -0.35 -1.33 -0.54 0.00 -1.37 0.00 0.00 64.86 61.27 1j12 h ILE 226 Cb 1.16 2.22 -0.17 0.00 0.47 0.00 0.00 36.82 40.50 1j12 h ILE 226 CO 0.94 0.36 -0.78 -0.94 -3.07 0.00 0.00 178.15 174.66 1j12 s SER 227 N -5.89 2.85 0.49 2.19 1.04 -1.26 -5.01 113.70 108.11 1j12 s SER 227 Ca -0.16 -0.89 0.33 0.00 0.48 0.00 0.00 55.95 55.71 1j12 s SER 227 Cb 0.02 -0.18 1.67 0.00 0.10 0.00 0.00 66.02 67.63 1j12 s SER 227 CO 0.70 -0.02 2.00 -0.33 0.98 0.00 0.00 173.24 176.57 1j12 h GLU 228 N 3.09 0.00 -0.00 4.02 5.08 -1.98 -0.11 114.58 124.67 1j12 h GLU 228 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1j12 h GLU 228 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1j12 h GLU 228 CO 0.52 0.00 -0.09 1.28 -1.00 0.00 0.00 179.01 179.73 1j12 n LEU 229 N -2.73 0.33 0.15 1.33 4.77 -1.26 -2.89 117.00 116.69 1j12 n LEU 229 Ca -0.01 0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 1j12 n LEU 229 Cb 0.13 -0.21 0.23 0.00 -2.33 0.00 0.00 43.42 41.23 1j12 n LEU 229 CO 0.18 0.06 0.69 0.00 -1.33 0.00 0.00 177.39 176.99 1j12 h ALA 230 N 3.54 0.89 -2.11 -1.18 0.00 -1.42 -3.43 119.26 115.55 1j12 h ALA 230 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1j12 h ALA 230 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1j12 h ALA 230 CO 0.00 0.00 1.13 0.42 0.00 0.00 0.00 179.25 180.80 1j12 s ILE 231 N -3.19 3.63 0.24 0.00 1.01 -1.14 -4.95 121.20 116.80 1j12 s ILE 231 Ca 0.07 0.73 -0.13 0.00 0.00 0.00 0.00 60.65 61.32 1j12 s ILE 231 Cb 0.09 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 38.96 1j12 s ILE 231 CO 0.67 -0.20 0.46 -0.76 0.00 0.00 0.00 174.94 175.11 1j12 s LEU 232 N 4.96 0.35 0.79 2.97 1.43 -1.26 -4.74 118.68 123.18 1j12 s LEU 232 Ca 0.73 -0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 1j12 s LEU 232 Cb -0.28 1.74 0.07 0.00 0.03 0.00 0.00 46.19 47.75 1j12 s LEU 232 CO 0.29 -1.12 1.13 -2.16 0.23 0.00 0.00 176.35 174.73 1j12 s PRO 233 N -4.01 2.13 0.11 1.29 0.04 -1.26 -4.97 135.00 128.33 1j12 s PRO 233 Ca 0.21 0.33 -0.36 0.00 0.04 0.00 0.00 61.00 61.23 1j12 s PRO 233 Cb -0.00 -1.95 -0.17 0.00 0.04 0.00 0.00 34.50 32.42 1j12 s PRO 233 CO 0.08 -1.52 1.25 -2.30 0.04 0.00 0.00 177.00 174.55 1j12 n PRO 234 N -3.31 1.03 -0.04 0.56 -0.02 -1.26 -4.92 135.00 127.04 1j12 n PRO 234 Ca 0.07 0.37 -0.11 0.00 -2.02 0.00 0.00 63.50 61.81 1j12 n PRO 234 Cb 0.59 -1.95 -0.10 0.00 -0.02 0.00 0.00 33.50 32.02 1j12 n PRO 234 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1j12 h SER 235 N 4.02 -0.04 -3.58 2.55 0.02 -2.01 -3.42 113.55 111.09 1j12 h SER 235 Ca -0.46 -0.66 -0.71 0.00 -0.84 0.00 0.00 61.79 59.12 1j12 h SER 235 Cb 1.35 0.01 -0.26 0.00 0.14 0.00 0.00 62.40 63.63 1j12 h SER 235 CO 0.74 0.74 -0.53 -0.62 -1.14 0.00 0.00 176.83 176.02 1j12 s ASP 236 N -5.91 5.60 0.34 3.07 3.68 -1.26 -4.96 116.67 117.24 1j12 s ASP 236 Ca -0.14 -1.15 0.06 0.00 2.13 0.00 0.00 52.55 53.45 1j12 s ASP 236 Cb -0.01 -1.97 0.62 0.00 -1.45 0.00 0.00 42.92 40.11 1j12 s ASP 236 CO 0.54 -0.40 1.85 1.23 0.13 0.00 0.00 175.17 178.52 1j12 h GLY 237 N 8.37 0.45 0.91 2.66 0.00 -1.98 -2.17 103.07 111.31 1j12 h GLY 237 Ca -0.24 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 1j12 h GLY 237 CO 0.67 0.27 -0.36 -2.09 0.00 0.00 0.00 176.54 175.03 1j12 h GLU 238 N 0.39 -0.96 -0.17 4.80 4.81 -1.94 -1.20 114.58 120.31 1j12 h GLU 238 Ca 0.08 0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1j12 h GLU 238 Cb 0.42 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1j12 h GLU 238 CO 0.02 -0.62 0.12 1.96 -0.73 0.00 0.00 179.01 179.76 1j12 h GLN 239 N -1.10 0.14 -0.41 1.92 7.50 -1.98 0.12 115.11 121.30 1j12 h GLN 239 Ca -0.10 -0.01 -0.13 0.00 0.50 0.00 0.00 58.65 58.91 1j12 h GLN 239 Cb 0.78 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.27 1j12 h GLN 239 CO 0.17 0.09 -0.27 0.35 -1.50 0.00 0.00 178.83 177.67 1j12 h PHE 240 N 0.14 1.02 0.00 2.96 3.57 -1.20 -1.41 116.94 122.02 1j12 h PHE 240 Ca 0.07 -0.26 -0.04 0.00 3.53 0.00 0.00 57.97 61.27 1j12 h PHE 240 Cb 0.11 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1j12 h PHE 240 CO -0.00 1.05 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.87 1j12 h LEU 241 N 0.75 0.00 -0.00 0.59 3.38 0.11 0.27 115.31 120.41 1j12 h LEU 241 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1j12 h LEU 241 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1j12 h LEU 241 CO 0.07 0.19 -0.21 0.24 0.09 0.00 0.00 178.44 178.81 1j12 h MET 242 N 0.00 0.15 0.00 1.13 2.86 -0.49 -3.37 114.93 115.21 1j12 h MET 242 Ca -0.00 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1j12 h MET 242 Cb 1.01 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1j12 h MET 242 CO 0.02 0.89 0.00 0.27 1.06 0.00 0.00 176.91 179.16 1j12 n ASN 243 N -4.54 0.00 -0.31 1.22 0.23 -0.62 -4.89 115.26 106.35 1j12 n ASN 243 Ca -0.10 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.09 1j12 n ASN 243 Cb 0.48 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.55 1j12 n ASN 243 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1j12 h GLY 244 N 0.00 1.44 2.00 4.83 0.00 -0.34 -0.35 103.07 110.65 1j12 h GLY 244 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1j12 h GLY 244 CO 0.00 0.01 0.00 0.10 0.00 0.00 0.00 176.54 176.65 1j12 h TYR 245 N 0.69 0.00 0.00 5.60 -0.00 -0.79 -1.62 116.97 120.85 1j12 h TYR 245 Ca 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 59.14 1j12 h TYR 245 Cb 0.89 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.61 1j12 h TYR 245 CO -0.00 0.00 -0.53 -0.07 -0.00 0.00 0.00 178.16 177.55 1j12 h LEU 246 N 0.00 0.00-10.32 0.10 3.38 -1.33 -3.26 115.31 103.88 1j12 h LEU 246 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1j12 h LEU 246 Cb 0.09 0.00 0.13 0.00 0.09 0.00 0.00 40.66 40.97 1j12 h LEU 246 CO 0.00 0.53 0.32 -0.94 0.09 0.00 0.00 178.44 178.44 1j12 s SER 247 N -6.56 4.47 0.51 -0.43 1.04 -0.61 -4.80 113.70 107.32 1j12 s SER 247 Ca 0.01 1.78 0.16 0.00 0.48 0.00 0.00 55.95 58.37 1j12 s SER 247 Cb 0.11 -2.49 1.22 0.00 0.10 0.00 0.00 66.02 64.96 1j12 s SER 247 CO 0.73 -2.05 2.12 -0.03 0.98 0.00 0.00 173.24 174.99 1j12 h MET 248 N -1.14 0.01 -0.21 4.02 4.05 -1.88 0.36 114.93 120.15 1j12 h MET 248 Ca -0.44 -0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 58.91 1j12 h MET 248 Cb 1.23 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.03 1j12 h MET 248 CO 0.52 0.04 -0.13 -0.92 0.23 0.00 0.00 176.91 176.64 1j12 h TYR 249 N 0.01 0.53 -0.86 1.39 3.20 -1.88 -2.10 116.97 117.26 1j12 h TYR 249 Ca 0.00 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.72 1j12 h TYR 249 Cb 0.05 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 1j12 h TYR 249 CO 0.00 0.77 0.49 0.78 -1.64 0.00 0.00 178.16 178.55 1j12 h GLY 250 N 0.15 1.27 1.30 1.82 0.00 -1.28 0.65 103.07 106.98 1j12 h GLY 250 Ca 0.04 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.73 1j12 h GLY 250 CO 0.04 0.54 -0.04 0.50 0.00 0.00 0.00 176.54 177.57 1j12 h LYS 251 N 1.20 0.84 -0.14 4.80 1.57 -0.94 -2.27 116.57 121.63 1j12 h LYS 251 Ca 0.31 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1j12 h LYS 251 Cb 0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1j12 h LYS 251 CO -0.05 0.87 -0.15 -0.44 -0.57 0.00 0.00 179.45 179.10 1j12 h ASP 252 N 0.77 0.38 -0.23 0.86 3.32 -0.63 -2.59 116.42 118.30 1j12 h ASP 252 Ca 0.14 -0.49 0.02 0.00 0.02 0.00 0.00 57.03 56.72 1j12 h ASP 252 Cb 0.53 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1j12 h ASP 252 CO 0.03 0.79 0.08 0.22 -1.72 0.00 0.00 179.24 178.63 1j12 h TYR 253 N -0.03 0.13 0.00 4.55 3.20 -0.85 -1.90 116.97 122.08 1j12 h TYR 253 Ca 0.02 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1j12 h TYR 253 Cb 0.69 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1j12 h TYR 253 CO 0.09 0.06 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.41 1j12 h LEU 254 N 0.18 0.00 -0.36 2.82 3.38 -1.46 0.13 115.31 120.01 1j12 h LEU 254 Ca 0.10 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.88 1j12 h LEU 254 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1j12 h LEU 254 CO -0.11 0.19 -0.70 -0.08 0.09 0.00 0.00 178.44 177.83 1j12 h GLU 255 N 0.00 0.56 0.05 1.13 4.81 -1.01 -2.07 114.58 118.04 1j12 h GLU 255 Ca -0.00 -0.43 -0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1j12 h GLU 255 Cb 0.43 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1j12 h GLU 255 CO 0.02 1.05 -0.02 2.35 -0.73 0.00 0.00 179.01 181.68 1j12 h TRP 256 N 0.39 -0.06 -0.16 0.92 7.01 -0.73 -1.32 115.95 122.01 1j12 h TRP 256 Ca -0.03 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.02 1j12 h TRP 256 Cb 1.28 0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 28.29 1j12 h TRP 256 CO 0.06 0.49 -0.32 -0.92 -2.79 0.00 0.00 178.44 174.95 1j12 h TYR 257 N -0.67 -0.90 -0.05 2.65 3.20 -0.80 -1.31 116.97 119.08 1j12 h TYR 257 Ca -0.01 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 1j12 h TYR 257 Cb 0.58 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1j12 h TYR 257 CO 0.12 -0.40 -0.49 0.37 -1.64 0.00 0.00 178.16 176.12 1j12 h GLN 258 N -0.38 0.13 -0.51 1.82 4.15 -1.49 -3.08 115.11 115.74 1j12 h GLN 258 Ca 0.10 -0.07 0.08 0.00 0.77 0.00 0.00 58.65 59.53 1j12 h GLN 258 Cb 0.55 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 1j12 h GLN 258 CO -0.37 0.60 0.35 0.78 -1.93 0.00 0.00 178.83 178.25 1j12 h GLY 259 N 1.40 0.49 0.98 2.39 0.00 -0.14 -2.01 103.07 106.18 1j12 h GLY 259 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1j12 h GLY 259 CO 0.07 0.11 0.25 -2.22 0.00 0.00 0.00 176.54 174.75 1j12 h ILE 260 N 0.38 1.15 -0.43 2.60 1.08 -1.25 -1.02 117.51 120.01 1j12 h ILE 260 Ca 0.23 -0.35 -0.10 0.00 -0.39 0.00 0.00 64.86 64.25 1j12 h ILE 260 Cb 0.42 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 1j12 h ILE 260 CO -0.06 0.15 -0.14 -0.07 -0.69 0.00 0.00 178.15 177.34 1j12 h LEU 261 N 0.58 0.79 -0.63 1.44 3.38 -1.53 -1.49 115.31 117.85 1j12 h LEU 261 Ca 0.16 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1j12 h LEU 261 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1j12 h LEU 261 CO -0.03 0.94 0.03 -0.33 0.09 0.00 0.00 178.44 179.14 1j12 h GLU 262 N 0.71 1.09 -0.26 1.13 5.08 -1.04 -0.98 114.58 120.31 1j12 h GLU 262 Ca 0.11 -0.33 -0.15 0.00 -1.00 0.00 0.00 59.36 57.99 1j12 h GLU 262 Cb 0.63 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1j12 h GLU 262 CO 0.04 1.05 -0.45 -0.91 -1.00 0.00 0.00 179.01 177.73 1j12 h ASN 263 N 1.00 0.72 -0.11 1.42 2.35 -1.02 -2.34 115.58 117.60 1j12 h ASN 263 Ca 0.18 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1j12 h ASN 263 Cb 0.54 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1j12 h ASN 263 CO 0.03 1.07 0.06 -0.74 -1.65 0.00 0.00 177.43 176.20 1j12 h HIS 264 N 0.54 0.11 -0.96 1.19 2.76 -1.04 0.07 115.15 117.82 1j12 h HIS 264 Ca 0.03 0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.32 1j12 h HIS 264 Cb 1.00 -0.03 -0.08 0.00 1.55 0.00 0.00 27.41 29.84 1j12 h HIS 264 CO 0.05 0.07 0.60 1.15 -1.30 0.00 0.00 177.93 178.49 1j12 h THR 265 N 0.13 0.93 -0.06 6.26 2.02 -1.08 0.12 112.91 121.24 1j12 h THR 265 Ca 0.04 -0.33 -0.15 0.00 0.77 0.00 0.00 66.41 66.74 1j12 h THR 265 Cb -0.00 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.28 1j12 h THR 265 CO -0.02 0.18 -0.61 0.11 0.37 0.00 0.00 175.52 175.54 1j12 h LYS 266 N 0.97 0.21 0.22 6.66 1.57 -0.80 -2.31 116.57 123.09 1j12 h LYS 266 Ca 0.47 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1j12 h LYS 266 Cb 0.43 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1j12 h LYS 266 CO -0.25 0.76 -0.11 1.25 -0.57 0.00 0.00 179.45 180.53 1j12 h LEU 267 N 0.15 -0.25 -1.48 2.94 5.85 0.28 -2.80 115.31 120.00 1j12 h LEU 267 Ca -0.01 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 1j12 h LEU 267 Cb 1.12 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1j12 h LEU 267 CO 0.09 0.26 -0.20 0.16 -0.34 0.00 0.00 178.44 178.40 1j12 h ILE 268 N -0.90 0.65 -0.20 4.05 3.07 -1.13 -1.75 117.51 121.29 1j12 h ILE 268 Ca -0.03 -0.90 -0.15 0.00 1.55 0.00 0.00 64.86 65.32 1j12 h ILE 268 Cb 0.50 1.58 -0.01 0.00 -0.27 0.00 0.00 36.82 38.62 1j12 h ILE 268 CO 0.05 0.20 -0.51 1.23 -1.05 0.00 0.00 178.15 178.07 1j12 h GLY 269 N 1.42 0.62 0.68 0.16 0.00 -1.48 -1.17 103.07 103.29 1j12 h GLY 269 Ca -0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1j12 h GLY 269 CO 0.03 0.62 -0.07 -2.09 0.00 0.00 0.00 176.54 175.02 1j12 h GLU 270 N 0.44 -0.19 -0.09 4.80 4.81 -1.12 -2.16 114.58 121.07 1j12 h GLU 270 Ca 0.02 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1j12 h GLU 270 Cb 1.04 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 1j12 h GLU 270 CO 0.10 0.12 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.28 1j12 h LEU 271 N -0.52 -0.47 -0.84 1.64 3.38 -1.32 -2.27 115.31 114.92 1j12 h LEU 271 Ca -0.02 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1j12 h LEU 271 Cb 0.40 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 1j12 h LEU 271 CO 0.03 -0.20 0.51 0.00 0.09 0.00 0.00 178.44 178.87 1j12 h ALA 272 N 0.81 1.15 -0.46 1.53 0.00 -1.22 -1.82 119.26 119.25 1j12 h ALA 272 Ca 0.08 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1j12 h ALA 272 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1j12 h ALA 272 CO -0.22 0.25 -0.17 0.45 0.00 0.00 0.00 179.25 179.56 1j12 h HIS 273 N 0.93 1.00 -0.32 0.00 3.86 -1.05 -1.45 115.15 118.12 1j12 h HIS 273 Ca 0.37 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 1j12 h HIS 273 Cb 0.18 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1j12 h HIS 273 CO -0.04 0.98 0.11 -0.91 0.86 0.00 0.00 177.93 178.94 1j12 h ASN 274 N 0.78 0.46 -0.15 2.45 2.35 -0.98 -1.69 115.58 118.80 1j12 h ASN 274 Ca 0.11 -0.19 -0.13 0.00 -0.55 0.00 0.00 56.30 55.54 1j12 h ASN 274 Cb 0.71 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1j12 h ASN 274 CO 0.05 0.52 -0.36 0.00 -1.65 0.00 0.00 177.43 175.99 1j12 h ALA 275 N 0.95 0.82 0.00 -0.83 0.00 -1.24 -3.38 119.26 115.58 1j12 h ALA 275 Ca 0.11 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1j12 h ALA 275 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1j12 h ALA 275 CO -0.01 0.64 -1.27 1.19 0.00 0.00 0.00 179.25 179.81 1j12 n PHE 276 N -4.05 0.00 0.16 0.00 3.01 -0.56 -4.73 117.46 111.29 1j12 n PHE 276 Ca -0.01 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.30 1j12 n PHE 276 Cb 0.50 -0.19 -0.08 0.00 -0.01 0.00 0.00 39.48 39.70 1j12 n PHE 276 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1j12 h ASP 277 N 0.00 -0.29 0.38 4.37 3.32 -1.49 0.41 116.42 123.12 1j12 h ASP 277 Ca 0.00 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1j12 h ASP 277 Cb 0.44 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1j12 h ASP 277 CO 0.00 -0.18 -0.34 0.71 -1.72 0.00 0.00 179.24 177.71 1j12 h THR 278 N -0.37 1.18 0.00 0.35 1.35 -1.82 -2.78 112.91 110.81 1j12 h THR 278 Ca -0.04 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 1j12 h THR 278 Cb 0.29 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1j12 h THR 278 CO 0.06 0.33 -0.30 0.74 -0.25 0.00 0.00 175.52 176.10 1j12 h THR 279 N 0.00 0.00 0.16 6.82 2.02 -1.84 -3.43 112.91 116.64 1j12 h THR 279 Ca -0.00 -0.89 -0.32 0.00 0.77 0.00 0.00 66.41 65.96 1j12 h THR 279 Cb 0.62 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1j12 h THR 279 CO 0.04 0.00 -1.58 -0.26 0.37 0.00 0.00 175.52 174.09 1j12 h PHE 280 N -0.89 0.61 -6.08 3.16 -1.00 -1.06 -3.49 116.94 108.19 1j12 h PHE 280 Ca 0.00 -0.45 -0.43 0.00 2.81 0.00 0.00 57.97 59.91 1j12 h PHE 280 Cb 0.30 -0.02 0.05 0.00 3.61 0.00 0.00 35.95 39.89 1j12 h PHE 280 CO -0.13 1.50 -0.77 1.04 -1.61 0.00 0.00 178.31 178.34 1j12 n GLN 281 N -3.54 -5.90 -4.45 1.51 6.02 -1.05 -5.00 117.38 104.97 1j12 n GLN 281 Ca -0.19 0.67 -0.23 0.00 -0.01 0.00 0.00 57.00 57.25 1j12 n GLN 281 Cb 1.06 -5.50 -0.10 0.00 1.02 0.00 0.00 30.24 26.72 1j12 n GLN 281 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1j12 s VAL 282 N -3.43 2.01 0.67 5.09 -7.23 -1.26 -5.11 120.40 111.13 1j12 s VAL 282 Ca 0.36 -2.23 -0.16 0.00 -1.81 0.00 0.00 61.98 58.14 1j12 s VAL 282 Cb -0.18 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.38 1j12 s VAL 282 CO 0.80 -0.35 1.20 -2.84 -0.31 0.00 0.00 175.10 173.59 1j12 s PRO 283 N -3.63 2.54 -0.08 4.82 0.02 -1.26 -4.86 135.00 132.55 1j12 s PRO 283 Ca 0.29 1.74 0.03 0.00 0.02 0.00 0.00 61.00 63.08 1j12 s PRO 283 Cb 0.01 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.65 1j12 s PRO 283 CO 0.13 -1.52 -0.17 0.42 -0.33 0.00 0.00 177.00 175.52 1j12 s ILE 284 N -1.89 1.53 0.43 2.83 1.01 -1.26 -2.02 121.20 121.83 1j12 s ILE 284 Ca 0.75 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 60.72 1j12 s ILE 284 Cb -0.28 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 1j12 s ILE 284 CO 0.40 0.44 0.10 -0.83 0.00 0.00 0.00 174.94 175.05 1j12 s GLY 285 N 0.52 2.69 0.19 6.18 0.00 0.23 -1.40 107.32 115.73 1j12 s GLY 285 Ca -0.16 -1.09 -0.15 0.00 0.00 0.00 0.00 44.72 43.32 1j12 s GLY 285 CO 0.06 -1.92 0.45 0.00 0.00 0.00 0.00 173.10 171.70 1j12 s ALA 286 N -3.13 -0.62 0.13 3.20 0.00 -0.61 -0.85 121.76 119.88 1j12 s ALA 286 Ca 0.20 -0.47 0.10 0.00 0.00 0.00 0.00 51.96 51.80 1j12 s ALA 286 Cb 0.03 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.97 1j12 s ALA 286 CO 0.12 -0.77 -0.24 0.15 0.00 0.00 0.00 175.76 175.03 1j12 s LYS 287 N -3.91 1.54 -0.10 0.00 1.02 -1.26 -1.26 119.74 115.77 1j12 s LYS 287 Ca 0.12 -1.31 0.03 0.00 0.02 0.00 0.00 55.97 54.84 1j12 s LYS 287 Cb 0.00 -1.97 0.01 0.00 -0.52 0.00 0.00 37.83 35.35 1j12 s LYS 287 CO -0.01 0.46 -0.20 0.42 -0.92 0.00 0.00 175.35 175.09 1j12 s ILE 288 N -1.14 1.80 0.39 2.17 1.01 -0.17 -1.74 121.20 123.53 1j12 s ILE 288 Ca 0.16 -0.86 -0.24 0.00 0.00 0.00 0.00 60.65 59.70 1j12 s ILE 288 Cb -0.10 -1.58 -0.09 0.00 0.01 0.00 0.00 42.46 40.70 1j12 s ILE 288 CO 0.08 0.50 1.05 0.00 0.00 0.00 0.00 174.94 176.57 1j12 s ALA 289 N 0.53 3.10 -0.83 9.38 0.00 -1.26 -3.96 121.76 128.72 1j12 s ALA 289 Ca -0.15 0.70 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 1j12 s ALA 289 Cb -0.17 -3.27 0.15 0.00 0.00 0.00 0.00 23.12 19.83 1j12 s ALA 289 CO 0.06 -0.19 0.93 0.20 0.00 0.00 0.00 175.76 176.76 1j12 s GLY 290 N -1.54 2.13 -1.17 0.00 0.00 -1.26 -4.90 107.32 100.58 1j12 s GLY 290 Ca 0.57 -2.84 -0.08 0.00 0.00 0.00 0.00 44.72 42.37 1j12 s GLY 290 CO 0.28 1.69 1.53 -0.62 0.00 0.00 0.00 173.10 175.99 1j12 n VAL 291 N 5.01 4.71 0.20 1.40 0.31 -1.26 -4.85 118.33 123.85 1j12 n VAL 291 Ca 0.14 -5.15 0.07 0.00 -0.01 0.00 0.00 64.34 59.40 1j12 n VAL 291 Cb 0.47 -2.32 0.42 0.00 -0.91 0.00 0.00 33.84 31.49 1j12 n VAL 291 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 1j12 h HIS 292 N 6.05 0.00 -4.25 3.52 2.07 -1.92 -3.40 115.15 117.23 1j12 h HIS 292 Ca 0.28 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.30 1j12 h HIS 292 Cb 0.71 0.00 0.07 0.00 2.57 0.00 0.00 27.41 30.76 1j12 h HIS 292 CO 1.06 0.31 0.38 1.67 -3.07 0.00 0.00 177.93 178.28 1j12 s TRP 293 N -3.76 3.09 -1.62 6.12 -2.14 -1.26 -2.52 118.94 116.85 1j12 s TRP 293 Ca -0.01 1.47 0.00 0.00 2.66 0.00 0.00 56.10 60.23 1j12 s TRP 293 Cb 0.11 -2.94 0.00 0.00 -3.10 0.00 0.00 33.47 27.55 1j12 s TRP 293 CO 0.67 -1.07 0.00 1.04 -2.66 0.00 0.00 176.95 174.93 1j12 n GLN 294 N -2.37 -1.25 0.53 3.25 1.13 0.10 -4.08 117.38 114.69 1j12 n GLN 294 Ca 0.08 1.03 -0.21 0.00 -1.94 0.00 0.00 57.00 55.96 1j12 n GLN 294 Cb 0.53 -5.26 -0.10 0.00 0.11 0.00 0.00 30.24 25.53 1j12 n GLN 294 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 1j12 h TYR 295 N 0.00 -1.24 -0.93 1.08 3.20 -1.45 0.58 116.97 118.21 1j12 h TYR 295 Ca -0.31 -0.03 -0.62 0.00 3.14 0.00 0.00 58.73 60.90 1j12 h TYR 295 Cb 1.09 0.41 -0.31 0.00 1.54 0.00 0.00 36.73 39.46 1j12 h TYR 295 CO 0.49 -0.77 0.52 0.27 -1.64 0.00 0.00 178.16 177.03 1j12 n ASN 296 N -5.60 6.68 -4.69 -2.11 6.94 -1.24 -2.37 115.26 112.87 1j12 n ASN 296 Ca -0.17 -3.77 -0.42 0.00 -0.02 0.00 0.00 54.58 50.20 1j12 n ASN 296 Cb 0.53 -0.84 -0.03 0.00 -2.36 0.00 0.00 39.78 37.08 1j12 n ASN 296 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1j12 s ASN 297 N -2.12 7.09 0.16 0.53 3.84 -1.21 -4.94 114.94 118.29 1j12 s ASN 297 Ca 0.61 1.78 -0.15 0.00 0.21 0.00 0.00 52.86 55.31 1j12 s ASN 297 Cb 0.49 -2.56 0.06 0.00 -0.55 0.00 0.00 41.25 38.68 1j12 s ASN 297 CO 0.01 -0.55 1.80 1.55 -2.79 0.00 0.00 177.10 177.13 1j12 h PRO 298 N 7.34 0.51 0.20 0.43 0.13 -1.93 -2.57 132.00 136.11 1j12 h PRO 298 Ca -0.34 -0.03 -0.27 0.00 -0.87 0.00 0.00 66.00 64.49 1j12 h PRO 298 Cb 1.16 -0.11 0.03 0.00 0.13 0.00 0.00 31.00 32.21 1j12 h PRO 298 CO 0.87 0.34 -1.18 1.79 -0.23 0.00 0.00 178.00 179.59 1j12 h THR 299 N 0.52 1.39 -2.98 1.56 1.35 -1.96 -3.40 112.91 109.39 1j12 h THR 299 Ca 0.17 -2.62 -0.62 0.00 -0.55 0.00 0.00 66.41 62.79 1j12 h THR 299 Cb 0.01 3.12 -0.42 0.00 -1.73 0.00 0.00 68.15 69.13 1j12 h THR 299 CO -0.08 0.77 -0.60 2.30 -0.25 0.00 0.00 175.52 177.66 1j12 n ILE 300 N -3.91 1.53 -1.68 6.82 -5.35 -1.23 -4.14 119.36 111.39 1j12 n ILE 300 Ca -0.16 -4.81 -0.42 0.00 -0.27 0.00 0.00 62.75 57.09 1j12 n ILE 300 Cb 0.98 -2.15 -0.03 0.00 -1.74 0.00 0.00 39.64 36.69 1j12 n ILE 300 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1j12 n PRO 301 N 1.92 2.81 -3.58 6.28 -0.04 -0.97 -1.86 135.00 139.56 1j12 n PRO 301 Ca 0.21 1.02 -0.23 0.00 -0.04 0.00 0.00 63.50 64.47 1j12 n PRO 301 Cb 0.36 -2.94 0.08 0.00 -0.04 0.00 0.00 33.50 30.96 1j12 n PRO 301 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1j12 n HIS 302 N 6.36 -2.66 0.10 0.54 8.25 0.16 -4.86 115.22 123.12 1j12 n HIS 302 Ca 0.19 0.99 0.01 0.00 -0.26 0.00 0.00 57.72 58.65 1j12 n HIS 302 Cb 0.38 -4.98 0.06 0.00 1.12 0.00 0.00 29.99 26.57 1j12 n HIS 302 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j12 n GLY 303 N -1.76 -0.52 0.06 -1.41 0.00 -0.78 -2.72 105.19 98.06 1j12 n GLY 303 Ca -0.07 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 1j12 n GLY 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j12 n ALA 304 N -1.43 1.72 -0.07 4.61 0.00 -1.26 -1.42 120.51 122.66 1j12 n ALA 304 Ca 0.01 -0.62 -0.12 0.00 0.00 0.00 0.00 53.44 52.71 1j12 n ALA 304 Cb 0.03 0.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 1j12 n ALA 304 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1j12 h GLU 305 N 0.00 0.43 -0.09 0.00 5.08 -1.73 -3.12 114.58 115.15 1j12 h GLU 305 Ca -0.30 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1j12 h GLU 305 Cb 1.53 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 1j12 h GLU 305 CO -0.03 0.70 0.03 0.87 -1.00 0.00 0.00 179.01 179.58 1j12 h LYS 306 N 0.14 0.07 0.00 2.33 1.57 -1.52 1.00 116.57 120.15 1j12 h LYS 306 Ca 0.05 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1j12 h LYS 306 Cb 0.56 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1j12 h LYS 306 CO 0.03 0.05 -0.05 -1.35 -0.57 0.00 0.00 179.45 177.55 1j12 h PRO 307 N 0.07 0.00 -0.00 3.15 0.11 -1.81 0.18 132.00 133.69 1j12 h PRO 307 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1j12 h PRO 307 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1j12 h PRO 307 CO -0.05 0.05 -0.02 0.00 -0.21 0.00 0.00 178.00 177.77 1j12 n ALA 308 N -2.23 2.57 -0.07 -0.75 0.00 -0.70 -4.56 120.51 114.77 1j12 n ALA 308 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1j12 n ALA 308 Cb 0.17 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1j12 n ALA 308 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j12 n GLY 309 N 1.25 0.55 3.35 0.00 0.00 0.05 -2.21 105.19 108.18 1j12 n GLY 309 Ca 0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 1j12 n GLY 309 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j12 s TYR 310 N -2.13 3.71 -0.13 1.61 2.02 0.26 -4.46 117.35 118.23 1j12 s TYR 310 Ca 0.00 -1.97 0.15 0.00 -0.37 0.00 0.00 57.07 54.88 1j12 s TYR 310 Cb 0.00 -3.89 -0.21 0.00 -0.40 0.00 0.00 41.96 37.45 1j12 s TYR 310 CO 0.00 -1.06 0.12 -1.71 -1.57 0.00 0.00 175.55 171.33 1j12 n ASN 311 N 4.25 1.04 -3.35 2.29 2.85 -1.26 -3.36 115.26 117.72 1j12 n ASN 311 Ca 0.16 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.50 1j12 n ASN 311 Cb 0.47 1.08 -0.07 0.00 1.24 0.00 0.00 39.78 42.50 1j12 n ASN 311 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1j12 s ASP 312 N -4.77 0.96 0.23 1.20 2.15 -1.26 -5.03 116.67 110.15 1j12 s ASP 312 Ca -0.08 -0.95 -0.07 0.00 0.43 0.00 0.00 52.55 51.88 1j12 s ASP 312 Cb 0.06 0.77 0.25 0.00 -0.30 0.00 0.00 42.92 43.70 1j12 s ASP 312 CO 0.67 -0.32 1.88 1.88 -0.17 0.00 0.00 175.17 179.11 1j12 h TYR 313 N 7.73 1.04 -0.92 -5.34 -1.99 -1.97 -0.96 116.97 114.56 1j12 h TYR 313 Ca -0.04 0.03 0.10 0.00 2.00 0.00 0.00 58.73 60.81 1j12 h TYR 313 Cb 1.09 -0.35 -0.08 0.00 2.00 0.00 0.00 36.73 39.39 1j12 h TYR 313 CO 0.29 0.61 0.56 1.03 -0.00 0.00 0.00 178.16 180.64 1j12 h SER 314 N 1.08 0.83 0.41 3.88 0.87 -1.99 0.48 113.55 119.11 1j12 h SER 314 Ca 0.34 0.04 -0.20 0.00 -1.23 0.00 0.00 61.79 60.74 1j12 h SER 314 Cb -0.01 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1j12 h SER 314 CO -0.11 0.47 -0.86 -0.74 -0.53 0.00 0.00 176.83 175.05 1j12 h HIS 315 N 0.93 0.47 -0.65 2.24 6.17 -1.83 -3.00 115.15 119.47 1j12 h HIS 315 Ca 0.44 -0.24 -0.07 0.00 0.71 0.00 0.00 60.37 61.20 1j12 h HIS 315 Cb 0.38 -0.06 -0.03 0.00 2.52 0.00 0.00 27.41 30.23 1j12 h HIS 315 CO -0.03 1.04 0.12 1.25 0.71 0.00 0.00 177.93 181.02 1j12 h LEU 316 N 0.19 1.02 -1.18 0.26 5.85 -0.04 -2.89 115.31 118.53 1j12 h LEU 316 Ca -0.05 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 1j12 h LEU 316 Cb 1.48 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1j12 h LEU 316 CO 0.14 1.01 -0.15 -0.07 -0.34 0.00 0.00 178.44 179.04 1j12 h LEU 317 N 0.98 0.00 -1.27 2.25 3.38 -0.93 -2.51 115.31 117.21 1j12 h LEU 317 Ca 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 1j12 h LEU 317 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1j12 h LEU 317 CO 0.01 0.15 -0.34 0.44 0.09 0.00 0.00 178.44 178.79 1j12 h ASP 318 N 0.00 0.04 -0.51 -0.43 3.32 -1.36 -2.17 116.42 115.30 1j12 h ASP 318 Ca -0.00 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1j12 h ASP 318 Cb 0.68 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 1j12 h ASP 318 CO 0.02 0.38 -0.03 0.00 -1.72 0.00 0.00 179.24 177.89 1j12 h ALA 319 N 1.62 0.91 -0.14 3.45 0.00 -1.47 -1.62 119.26 122.02 1j12 h ALA 319 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1j12 h ALA 319 Cb 0.62 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1j12 h ALA 319 CO 0.05 0.64 -0.01 0.74 0.00 0.00 0.00 179.25 180.67 1j12 h PHE 320 N 0.88 0.27 -0.21 0.00 -1.00 -1.50 0.63 116.94 116.01 1j12 h PHE 320 Ca 0.16 -0.05 0.05 0.00 2.81 0.00 0.00 57.97 60.94 1j12 h PHE 320 Cb 0.56 -0.07 -0.06 0.00 3.61 0.00 0.00 35.95 39.99 1j12 h PHE 320 CO 0.04 0.50 -0.16 -0.22 -1.61 0.00 0.00 178.31 176.86 1j12 h LYS 321 N -0.03 -0.15 -0.10 1.51 3.11 -1.31 0.27 116.57 119.86 1j12 h LYS 321 Ca 0.04 0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.80 1j12 h LYS 321 Cb 0.40 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.65 1j12 h LYS 321 CO 0.01 -0.10 -0.33 0.66 -2.81 0.00 0.00 179.45 176.88 1j12 h SER 322 N -0.16 0.19 0.69 4.20 4.64 -1.22 -1.79 113.55 120.10 1j12 h SER 322 Ca 0.12 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1j12 h SER 322 Cb 0.34 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1j12 h SER 322 CO -0.31 0.52 -0.03 0.00 -0.87 0.00 0.00 176.83 176.14 1j12 n ALA 323 N -2.48 2.50 -3.47 5.18 0.00 0.21 -4.92 120.51 117.53 1j12 n ALA 323 Ca -0.01 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 1j12 n ALA 323 Cb 0.41 -1.45 0.07 0.00 0.00 0.00 0.00 19.45 18.48 1j12 n ALA 323 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j12 n LYS 324 N -1.33 -7.06 -4.51 0.00 5.02 0.83 -4.69 118.16 106.41 1j12 n LYS 324 Ca 0.11 0.75 -0.32 0.00 -2.02 0.00 0.00 58.31 56.83 1j12 n LYS 324 Cb 0.28 -5.55 -0.11 0.00 -0.02 0.00 0.00 35.03 29.64 1j12 n LYS 324 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1j12 s LEU 325 N -6.60 3.06 0.38 -0.35 1.43 -0.53 -4.73 118.68 111.34 1j12 s LEU 325 Ca 0.47 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 53.26 1j12 s LEU 325 Cb -0.21 -1.76 -0.07 0.00 0.03 0.00 0.00 46.19 44.18 1j12 s LEU 325 CO 0.66 0.28 0.76 -1.81 0.23 0.00 0.00 176.35 176.47 1j12 s ASP 326 N -1.40 6.62 0.08 2.29 1.01 -0.50 -4.48 116.67 120.29 1j12 s ASP 326 Ca 0.16 1.20 0.06 0.00 0.71 0.00 0.00 52.55 54.68 1j12 s ASP 326 Cb -0.11 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 1j12 s ASP 326 CO 0.07 -0.33 -0.09 0.54 0.21 0.00 0.00 175.17 175.56 1j12 s VAL 327 N -2.24 3.43 -0.03 -1.27 0.11 -0.97 -1.57 120.40 117.86 1j12 s VAL 327 Ca 0.52 -1.14 0.06 0.00 -2.93 0.00 0.00 61.98 58.49 1j12 s VAL 327 Cb -0.10 -2.57 -0.01 0.00 -1.53 0.00 0.00 36.38 32.16 1j12 s VAL 327 CO 0.26 0.19 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.13 1j12 s THR 328 N -1.16 1.58 0.14 5.04 2.01 -0.38 -1.27 115.64 121.60 1j12 s THR 328 Ca 0.20 -0.83 0.07 0.00 0.31 0.00 0.00 61.69 61.43 1j12 s THR 328 Cb -0.11 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 1j12 s THR 328 CO 0.12 0.45 -0.15 0.12 -0.69 0.00 0.00 174.62 174.47 1j12 s PHE 329 N -0.31 1.52 0.01 4.92 5.36 -0.35 -0.99 117.98 128.14 1j12 s PHE 329 Ca 0.04 -0.55 0.00 0.00 -0.96 0.00 0.00 56.93 55.46 1j12 s PHE 329 Cb -0.09 -0.78 0.00 0.00 -0.34 0.00 0.00 43.02 41.81 1j12 s PHE 329 CO 0.00 0.20 0.01 0.25 -1.46 0.00 0.00 175.22 174.23 1j12 n THR 330 N 0.37 0.00 -1.54 0.12 -2.24 -1.25 -1.12 114.28 108.62 1j12 n THR 330 Ca -0.14 -0.05 -0.17 0.00 -2.27 0.00 0.00 64.05 61.42 1j12 n THR 330 Cb 0.57 -0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 68.09 1j12 n THR 330 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j12 h LEU 332 N 0.00 0.00 -1.18 0.00 3.38 -1.87 -2.61 115.31 113.03 1j12 h LEU 332 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1j12 h LEU 332 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1j12 h LEU 332 CO 0.50 0.04 0.00 -1.84 0.09 0.00 0.00 178.44 177.23 1j12 n GLU 333 N -3.83 1.75 -4.14 1.13 0.00 -1.26 -3.81 120.64 110.48 1j12 n GLU 333 Ca -0.03 -1.16 -0.23 0.00 0.00 0.00 0.00 57.16 55.75 1j12 n GLU 333 Cb 0.14 -1.29 -0.06 0.00 0.00 0.00 0.00 31.44 30.23 1j12 n GLU 333 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 1j12 s MET 334 N -1.61 2.44 0.23 3.44 -1.94 -0.98 -4.84 119.30 116.02 1j12 s MET 334 Ca 0.24 -1.44 0.10 0.00 -1.71 0.00 0.00 55.69 52.89 1j12 s MET 334 Cb 0.13 -2.24 -0.05 0.00 2.01 0.00 0.00 34.83 34.69 1j12 s MET 334 CO 0.17 0.22 -0.19 0.95 -0.01 0.00 0.00 175.02 176.16 1j12 s THR 335 N -2.35 2.16 0.66 2.05 -4.23 -1.26 -4.28 115.64 108.38 1j12 s THR 335 Ca 0.35 -2.20 -0.17 0.00 -1.18 0.00 0.00 61.69 58.50 1j12 s THR 335 Cb -0.04 -2.12 -0.00 0.00 1.34 0.00 0.00 72.50 71.67 1j12 s THR 335 CO 0.22 -0.38 1.19 -1.81 -0.54 0.00 0.00 174.62 173.30 1j12 s ASP 336 N -3.15 4.82 0.13 3.99 1.01 -1.26 -4.53 116.67 117.67 1j12 s ASP 336 Ca 0.24 2.29 0.00 0.00 0.71 0.00 0.00 52.55 55.79 1j12 s ASP 336 Cb -0.05 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.30 1j12 s ASP 336 CO 0.11 -1.84 0.00 1.17 0.21 0.00 0.00 175.17 174.82 1j12 n LYS 337 N -2.17 0.00 -1.55 8.23 4.81 0.16 -5.00 118.16 122.64 1j12 n LYS 337 Ca 0.13 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.38 1j12 n LYS 337 Cb 0.50 -0.13 -0.08 0.00 0.02 0.00 0.00 35.03 35.34 1j12 n LYS 337 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j12 n GLY 338 N 2.37 1.82 3.73 3.14 0.00 -0.04 -4.86 105.19 111.34 1j12 n GLY 338 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1j12 n GLY 338 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j12 s SER 339 N -2.72 5.12 0.42 1.61 0.01 -1.26 -4.71 113.70 112.17 1j12 s SER 339 Ca 0.00 -0.30 -0.25 0.00 1.31 0.00 0.00 55.95 56.71 1j12 s SER 339 Cb 0.00 -1.21 -0.08 0.00 0.21 0.00 0.00 66.02 64.94 1j12 s SER 339 CO 0.00 0.06 1.28 -0.47 0.41 0.00 0.00 173.24 174.52 1j12 s TYR 340 N -1.83 2.80 -1.57 2.43 5.04 -1.26 0.24 117.35 123.20 1j12 s TYR 340 Ca 0.30 1.43 0.24 0.00 -2.44 0.00 0.00 57.07 56.59 1j12 s TYR 340 Cb -0.09 -3.63 0.24 0.00 0.35 0.00 0.00 41.96 38.83 1j12 s TYR 340 CO 0.21 -2.04 1.23 -0.35 -1.34 0.00 0.00 175.55 173.27 1j12 n PRO 341 N -0.02 0.65 0.06 4.97 -0.04 -1.26 -4.84 135.00 134.52 1j12 n PRO 341 Ca 0.05 -0.48 -0.18 0.00 -0.04 0.00 0.00 63.50 62.85 1j12 n PRO 341 Cb 0.44 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 1j12 n PRO 341 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1j12 h GLU 342 N 1.18 0.56 -6.05 0.54 3.07 -1.82 -3.46 114.58 108.60 1j12 h GLU 342 Ca 0.00 -0.63 -0.41 0.00 -0.50 0.00 0.00 59.36 57.82 1j12 h GLU 342 Cb 0.59 0.19 0.06 0.00 -0.84 0.00 0.00 28.75 28.75 1j12 h GLU 342 CO 0.00 1.24 -0.82 0.66 -1.40 0.00 0.00 179.01 178.69 1j12 n TYR 343 N -3.79 -1.97 -2.78 4.33 4.02 0.14 0.01 117.16 117.12 1j12 n TYR 343 Ca -0.10 0.85 -0.42 0.00 -0.01 0.00 0.00 57.90 58.23 1j12 n TYR 343 Cb 0.88 -4.45 -0.03 0.00 -0.02 0.00 0.00 39.34 35.72 1j12 n TYR 343 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1j12 s SER 344 N -4.30 6.90 -0.50 7.72 0.01 -1.26 -1.96 113.70 120.30 1j12 s SER 344 Ca 0.04 1.08 0.07 0.00 1.31 0.00 0.00 55.95 58.45 1j12 s SER 344 Cb -0.02 -2.48 0.35 0.00 0.21 0.00 0.00 66.02 64.08 1j12 s SER 344 CO 0.80 -0.65 0.91 0.23 0.41 0.00 0.00 173.24 174.94 1j12 n MET 345 N 6.31 2.60 -0.15 12.44 2.81 -1.05 0.38 117.12 140.46 1j12 n MET 345 Ca 0.08 -4.39 -0.08 0.00 -1.81 0.00 0.00 57.70 51.50 1j12 n MET 345 Cb 0.47 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 30.91 1j12 n MET 345 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1j12 h PRO 346 N 2.95 0.63 -0.27 0.03 0.13 -1.80 -2.02 132.00 131.66 1j12 h PRO 346 Ca 0.13 -0.10 -0.06 0.00 -0.87 0.00 0.00 66.00 65.10 1j12 h PRO 346 Cb 0.68 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 1j12 h PRO 346 CO 0.73 0.55 -0.11 -0.22 -0.23 0.00 0.00 178.00 178.72 1j12 h LYS 347 N 0.56 0.45 -0.40 0.86 3.64 -1.81 -1.41 116.57 118.46 1j12 h LYS 347 Ca 0.15 -0.12 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 1j12 h LYS 347 Cb 0.14 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1j12 h LYS 347 CO -0.02 0.56 -0.32 1.15 -2.27 0.00 0.00 179.45 178.55 1j12 h THR 348 N 0.42 1.27 0.03 1.00 2.02 -1.91 -2.15 112.91 113.59 1j12 h THR 348 Ca 0.08 -1.49 -0.00 0.00 0.77 0.00 0.00 66.41 65.77 1j12 h THR 348 Cb 0.45 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1j12 h THR 348 CO 0.03 0.50 -0.01 0.25 0.37 0.00 0.00 175.52 176.65 1j12 h LEU 349 N 0.76 -0.03 -0.21 2.58 6.46 -0.96 -1.55 115.31 122.35 1j12 h LEU 349 Ca 0.08 -0.14 0.04 0.00 -0.12 0.00 0.00 57.88 57.74 1j12 h LEU 349 Cb 0.90 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.80 1j12 h LEU 349 CO 0.08 0.12 -0.04 0.58 -0.62 0.00 0.00 178.44 178.56 1j12 h VAL 350 N -0.19 0.80 -0.85 1.05 2.07 -1.20 0.11 116.25 118.04 1j12 h VAL 350 Ca -0.00 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1j12 h VAL 350 Cb 0.17 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1j12 h VAL 350 CO 0.01 0.00 0.52 1.56 0.02 0.00 0.00 177.57 179.68 1j12 h GLN 351 N 0.01 1.15 0.58 1.57 4.20 -1.40 0.13 115.11 121.36 1j12 h GLN 351 Ca 0.10 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1j12 h GLN 351 Cb 0.15 -0.24 0.01 0.00 0.30 0.00 0.00 27.48 27.69 1j12 h GLN 351 CO -0.21 0.80 -0.28 -0.97 -0.67 0.00 0.00 178.83 177.50 1j12 h ASN 352 N 1.17 -0.66 -0.05 1.46 -0.00 -0.26 -1.71 115.58 115.53 1j12 h ASN 352 Ca 0.31 -0.01 0.02 0.00 -0.00 0.00 0.00 56.30 56.62 1j12 h ASN 352 Cb -0.06 0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 38.41 1j12 h ASN 352 CO -0.06 -0.41 -0.08 0.40 -0.00 0.00 0.00 177.43 177.28 1j12 h ILE 353 N -0.88 0.77 -0.69 2.57 1.08 -0.61 -2.27 117.51 117.48 1j12 h ILE 353 Ca -0.08 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.51 1j12 h ILE 353 Cb 0.63 0.77 -0.08 0.00 -3.07 0.00 0.00 36.82 35.07 1j12 h ILE 353 CO 0.13 0.00 0.28 0.00 -0.69 0.00 0.00 178.15 177.87 1j12 h ALA 354 N 0.90 0.94 -0.03 1.87 0.00 -0.72 -0.33 119.26 121.89 1j12 h ALA 354 Ca 0.05 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1j12 h ALA 354 Cb 0.19 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1j12 h ALA 354 CO -0.12 -0.18 0.02 1.15 0.00 0.00 0.00 179.25 180.12 1j12 h THR 355 N 0.45 1.06 -0.90 0.00 2.02 -1.01 -1.09 112.91 113.44 1j12 h THR 355 Ca 0.36 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.38 1j12 h THR 355 Cb 0.49 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 1j12 h THR 355 CO -0.35 0.05 0.60 -0.07 0.37 0.00 0.00 175.52 176.12 1j12 h LEU 356 N -0.02 1.01 -0.01 2.58 3.38 -0.78 -0.51 115.31 120.96 1j12 h LEU 356 Ca 0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1j12 h LEU 356 Cb 0.07 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1j12 h LEU 356 CO -0.00 0.71 0.00 0.00 0.09 0.00 0.00 178.44 179.24 1j12 h ALA 357 N 1.45 0.01 -0.34 1.53 0.00 -0.81 -1.68 119.26 119.41 1j12 h ALA 357 Ca 0.34 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1j12 h ALA 357 Cb -0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1j12 h ALA 357 CO -0.09 -0.34 -0.00 -0.91 0.00 0.00 0.00 179.25 177.91 1j12 h ASN 358 N -0.28 0.50 -0.28 0.00 -0.26 -1.01 -0.65 115.58 113.60 1j12 h ASN 358 Ca 0.00 -0.10 -0.06 0.00 -0.56 0.00 0.00 56.30 55.59 1j12 h ASN 358 Cb 0.30 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 1j12 h ASN 358 CO 0.00 0.58 -0.02 -0.08 -1.06 0.00 0.00 177.43 176.85 1j12 h GLU 359 N 0.51 0.62 -0.01 0.81 4.81 -0.97 -2.82 114.58 117.53 1j12 h GLU 359 Ca 0.11 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1j12 h GLU 359 Cb 0.34 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1j12 h GLU 359 CO 0.01 0.65 -0.29 1.63 -0.73 0.00 0.00 179.01 180.28 1j12 n LYS 360 N -4.25 1.00 -1.69 1.92 5.02 -0.64 -4.95 118.16 114.57 1j12 n LYS 360 Ca 0.02 -0.67 -0.03 0.00 -2.02 0.00 0.00 58.31 55.61 1j12 n LYS 360 Cb 0.27 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1j12 n LYS 360 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j12 n GLY 361 N 1.35 0.38 3.61 0.72 0.00 -0.52 -5.02 105.19 105.71 1j12 n GLY 361 Ca 0.12 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 1j12 n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j12 s ILE 362 N -2.12 5.14 0.10 -0.61 1.01 -0.37 -5.02 121.20 119.33 1j12 s ILE 362 Ca 0.00 0.67 -0.32 0.00 0.00 0.00 0.00 60.65 61.00 1j12 s ILE 362 Cb 0.00 -3.74 -0.11 0.00 0.01 0.00 0.00 42.46 38.62 1j12 s ILE 362 CO 0.00 0.14 1.81 0.52 0.00 0.00 0.00 174.94 177.41 1j12 n VAL 363 N 5.10 0.35 -4.49 2.92 0.31 -1.26 -4.43 118.33 116.84 1j12 n VAL 363 Ca -0.07 -0.06 -0.34 0.00 -0.01 0.00 0.00 64.34 63.86 1j12 n VAL 363 Cb 0.50 -2.00 -0.11 0.00 -0.91 0.00 0.00 33.84 31.31 1j12 n VAL 363 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1j12 s LEU 364 N 2.69 3.26 0.17 7.52 2.96 -1.26 -2.30 118.68 131.71 1j12 s LEU 364 Ca 0.83 -0.06 0.07 0.00 -0.22 0.00 0.00 54.13 54.75 1j12 s LEU 364 Cb -0.54 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 1j12 s LEU 364 CO 0.40 0.27 -0.14 0.20 -1.32 0.00 0.00 176.35 175.76 1j12 s ASN 365 N -0.23 2.28 0.04 3.68 -0.87 -0.40 -0.11 114.94 119.34 1j12 s ASN 365 Ca 0.04 -0.97 -0.03 0.00 -1.57 0.00 0.00 52.86 50.32 1j12 s ASN 365 Cb -0.13 -0.09 -0.02 0.00 -0.02 0.00 0.00 41.25 40.99 1j12 s ASN 365 CO 0.02 -0.20 0.04 -0.83 -2.57 0.00 0.00 177.10 173.57 1j12 s GLY 366 N -3.09 0.27 0.07 0.66 0.00 -0.33 -1.22 107.32 103.68 1j12 s GLY 366 Ca 0.18 -0.77 -0.04 0.00 0.00 0.00 0.00 44.72 44.09 1j12 s GLY 366 CO 0.05 -0.89 0.06 -1.83 0.00 0.00 0.00 173.10 170.49 1j12 s GLU 367 N -2.93 0.71 0.22 2.90 -1.05 -0.28 -0.72 118.70 117.55 1j12 s GLU 367 Ca -0.02 -1.11 -0.26 0.00 -0.15 0.00 0.00 54.97 53.43 1j12 s GLU 367 Cb 0.01 0.27 -0.09 0.00 -0.44 0.00 0.00 34.13 33.88 1j12 s GLU 367 CO -0.06 -0.18 0.85 0.54 0.95 0.00 0.00 175.26 177.36 1j12 s ASN 368 N -2.89 7.44 0.02 0.83 4.22 -1.23 -3.02 114.94 120.31 1j12 s ASN 368 Ca 0.06 1.76 -0.25 0.00 -2.14 0.00 0.00 52.86 52.29 1j12 s ASN 368 Cb 0.07 -2.54 -0.18 0.00 1.28 0.00 0.00 41.25 39.88 1j12 s ASN 368 CO -0.10 0.14 1.39 0.00 -2.04 0.00 0.00 177.10 176.49 1j12 h ALA 369 N 4.01 -0.14 -2.10 3.54 0.00 -1.91 -3.44 119.26 119.21 1j12 h ALA 369 Ca -0.46 -0.16 -0.51 0.00 0.00 0.00 0.00 54.91 53.77 1j12 h ALA 369 Cb 1.20 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 1j12 h ALA 369 CO 0.66 -0.43 -0.70 -0.51 0.00 0.00 0.00 179.25 178.28 1j12 s LEU 370 N -9.59 2.54 0.38 0.00 1.43 -1.26 -5.00 118.68 107.18 1j12 s LEU 370 Ca -0.15 -1.14 -0.27 0.00 -1.03 0.00 0.00 54.13 51.54 1j12 s LEU 370 Cb 0.03 -0.74 -0.11 0.00 0.03 0.00 0.00 46.19 45.40 1j12 s LEU 370 CO 0.63 -0.25 1.29 -1.20 0.23 0.00 0.00 176.35 177.05 1j12 n SER 371 N -0.57 2.71 -4.48 2.29 7.64 -1.26 -4.95 113.62 114.99 1j12 n SER 371 Ca -0.06 1.17 -0.38 0.00 1.01 0.00 0.00 58.87 60.61 1j12 n SER 371 Cb 0.62 -1.50 -0.12 0.00 -1.01 0.00 0.00 64.21 62.21 1j12 n SER 371 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1j12 s ILE 372 N -1.14 4.67 -0.21 0.44 1.01 -1.26 -4.95 121.20 119.77 1j12 s ILE 372 Ca 0.58 -0.20 0.16 0.00 0.00 0.00 0.00 60.65 61.19 1j12 s ILE 372 Cb -0.54 -3.28 0.38 0.00 0.01 0.00 0.00 42.46 39.03 1j12 s ILE 372 CO 0.61 0.20 1.27 0.61 0.00 0.00 0.00 174.94 177.63 1j12 n GLY 373 N 4.98 4.19 2.96 6.18 0.00 -1.26 -4.99 105.19 117.25 1j12 n GLY 373 Ca -0.15 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 1j12 n GLY 373 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j12 s ASN 374 N -2.16 -0.11 0.54 1.61 3.84 -1.26 -5.05 114.94 112.36 1j12 s ASN 374 Ca 0.33 0.23 0.28 0.00 0.21 0.00 0.00 52.86 53.92 1j12 s ASN 374 Cb 0.27 0.21 1.54 0.00 -0.55 0.00 0.00 41.25 42.72 1j12 s ASN 374 CO 0.06 -0.07 2.11 1.05 -2.79 0.00 0.00 177.10 177.47 1j12 h GLU 375 N 6.29 0.00 -0.23 0.43 4.11 -1.98 -2.10 114.58 121.11 1j12 h GLU 375 Ca -0.29 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.04 1j12 h GLU 375 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1j12 h GLU 375 CO 0.44 0.09 -0.28 0.93 0.07 0.00 0.00 179.01 180.26 1j12 h GLU 376 N 0.00 0.45 -0.26 1.06 4.39 -1.99 -1.67 114.58 116.56 1j12 h GLU 376 Ca -0.00 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 1j12 h GLU 376 Cb 0.26 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1j12 h GLU 376 CO 0.01 0.69 -0.07 0.93 -1.16 0.00 0.00 179.01 179.41 1j12 h GLU 377 N 0.39 0.41 -0.34 2.33 5.08 -1.71 -0.05 114.58 120.68 1j12 h GLU 377 Ca 0.05 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1j12 h GLU 377 Cb 0.70 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1j12 h GLU 377 CO 0.05 0.50 -0.31 1.88 -1.00 0.00 0.00 179.01 180.13 1j12 h TYR 378 N 0.39 0.85 -0.04 4.33 0.05 -1.38 -1.76 116.97 119.40 1j12 h TYR 378 Ca 0.08 -0.22 -0.07 0.00 0.05 0.00 0.00 58.73 58.57 1j12 h TYR 378 Cb 0.38 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1j12 h TYR 378 CO 0.01 0.95 -0.29 0.87 -1.05 0.00 0.00 178.16 178.65 1j12 h LYS 379 N 0.62 0.07 -0.17 4.88 1.57 -0.21 -0.55 116.57 122.79 1j12 h LYS 379 Ca 0.07 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1j12 h LYS 379 Cb 0.83 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1j12 h LYS 379 CO 0.07 0.36 -0.05 -0.09 -0.57 0.00 0.00 179.45 179.17 1j12 h ARG 380 N 0.07 0.33 -0.67 3.15 9.65 -0.65 -2.68 114.38 123.58 1j12 h ARG 380 Ca 0.01 -0.13 -0.02 0.00 -1.10 0.00 0.00 59.98 58.74 1j12 h ARG 380 Cb 0.55 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.08 1j12 h ARG 380 CO 0.04 0.61 0.33 0.28 2.80 0.00 0.00 179.97 184.02 1j12 h VAL 381 N 0.03 1.22 -0.31 0.20 2.07 -0.90 -2.94 116.25 115.63 1j12 h VAL 381 Ca 0.04 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 66.98 1j12 h VAL 381 Cb 0.49 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1j12 h VAL 381 CO 0.02 0.26 0.10 0.00 0.02 0.00 0.00 177.57 177.97 1j12 h ALA 382 N 1.15 0.35 -0.42 1.67 0.00 -1.05 0.87 119.26 121.82 1j12 h ALA 382 Ca 0.23 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1j12 h ALA 382 Cb 0.11 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1j12 h ALA 382 CO -0.03 -0.30 0.11 1.49 0.00 0.00 0.00 179.25 180.53 1j12 h GLU 383 N 0.24 0.25 0.10 0.00 4.81 -1.32 -0.82 114.58 117.83 1j12 h GLU 383 Ca 0.14 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1j12 h GLU 383 Cb 0.11 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1j12 h GLU 383 CO -0.14 0.17 -0.05 0.52 -0.73 0.00 0.00 179.01 178.78 1j12 h MET 384 N 0.26 -0.13 -0.12 1.92 2.86 -1.33 -2.01 114.93 116.39 1j12 h MET 384 Ca 0.20 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.88 1j12 h MET 384 Cb 0.22 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1j12 h MET 384 CO -0.24 0.32 -0.07 0.00 1.06 0.00 0.00 176.91 177.98 1j12 h ALA 385 N 0.17 0.03 0.00 6.32 0.00 -0.77 -0.90 119.26 124.10 1j12 h ALA 385 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1j12 h ALA 385 Cb 0.51 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1j12 h ALA 385 CO 0.02 -0.53 -0.08 1.19 0.00 0.00 0.00 179.25 179.86 1j12 n PHE 386 N -5.21 0.92 0.51 0.00 0.99 -0.32 -1.85 117.46 112.50 1j12 n PHE 386 Ca -0.04 0.27 0.07 0.00 -0.00 0.00 0.00 57.45 57.75 1j12 n PHE 386 Cb 0.14 -0.92 -0.09 0.00 -1.00 0.00 0.00 39.48 37.61 1j12 n PHE 386 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1j12 n ASN 387 N -2.27 0.88 -0.72 4.37 3.02 -0.75 -4.11 115.26 115.67 1j12 n ASN 387 Ca 0.05 -0.65 0.06 0.00 -0.03 0.00 0.00 54.58 54.01 1j12 n ASN 387 Cb 0.43 1.14 0.21 0.00 -0.61 0.00 0.00 39.78 40.95 1j12 n ASN 387 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1j12 n TYR 388 N -1.47 0.66 -2.37 3.10 4.02 -0.36 -1.30 117.16 119.44 1j12 n TYR 388 Ca 0.01 -1.14 -0.18 0.00 -0.01 0.00 0.00 57.90 56.59 1j12 n TYR 388 Cb 0.25 -0.31 -0.01 0.00 -0.02 0.00 0.00 39.34 39.25 1j12 n TYR 388 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1j12 n ASN 389 N -0.96 -5.15 -4.72 7.72 5.15 -1.24 -4.91 115.26 111.15 1j12 n ASN 389 Ca 0.23 -0.03 -0.42 0.00 -0.60 0.00 0.00 54.58 53.76 1j12 n ASN 389 Cb 0.85 -4.22 -0.03 0.00 -0.53 0.00 0.00 39.78 35.85 1j12 n ASN 389 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1j12 s PHE 390 N -2.89 3.17 -0.49 1.20 0.40 -0.77 -4.68 117.98 113.92 1j12 s PHE 390 Ca 0.02 0.87 0.24 0.00 -0.60 0.00 0.00 56.93 57.46 1j12 s PHE 390 Cb -0.01 -3.77 0.37 0.00 0.51 0.00 0.00 43.02 40.12 1j12 s PHE 390 CO 0.02 -2.71 1.48 0.00 0.70 0.00 0.00 175.22 174.71 1j12 h ALA 391 N 6.53 0.83 -2.22 5.36 0.00 -0.83 -3.41 119.26 125.52 1j12 h ALA 391 Ca -0.43 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1j12 h ALA 391 Cb 1.21 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.83 1j12 h ALA 391 CO 0.87 0.00 0.41 0.20 0.00 0.00 0.00 179.25 180.72 1j12 s GLY 392 N -4.03 -0.47 -0.05 0.00 0.00 -1.24 -2.29 107.32 99.24 1j12 s GLY 392 Ca 0.06 1.18 0.01 0.00 0.00 0.00 0.00 44.72 45.97 1j12 s GLY 392 CO 0.69 0.55 -0.03 -0.12 0.00 0.00 0.00 173.10 174.18 1j12 s PHE 393 N -2.52 0.70 -0.25 1.90 5.36 -0.72 -1.19 117.98 121.26 1j12 s PHE 393 Ca 0.00 -0.18 -0.05 0.00 -0.96 0.00 0.00 56.93 55.74 1j12 s PHE 393 Cb -0.01 -0.66 -0.00 0.00 -0.34 0.00 0.00 43.02 42.01 1j12 s PHE 393 CO -0.05 -0.21 0.00 0.99 -1.46 0.00 0.00 175.22 174.50 1j12 s THR 394 N 1.10 3.59 -0.05 0.12 2.01 0.10 -0.47 115.64 122.04 1j12 s THR 394 Ca -0.08 -0.59 -0.25 0.00 0.31 0.00 0.00 61.69 61.07 1j12 s THR 394 Cb -0.14 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 1j12 s THR 394 CO -0.01 0.28 0.79 -0.22 -0.69 0.00 0.00 174.62 174.77 1j12 s LEU 395 N 1.48 4.32 -0.24 4.42 2.96 0.84 -3.55 118.68 128.91 1j12 s LEU 395 Ca 0.04 1.32 -0.06 0.00 -0.22 0.00 0.00 54.13 55.21 1j12 s LEU 395 Cb -0.16 -3.23 -0.02 0.00 0.50 0.00 0.00 46.19 43.28 1j12 s LEU 395 CO -0.01 -0.18 0.04 -0.22 -1.32 0.00 0.00 176.35 174.67 1j12 s LEU 396 N 0.95 3.31 0.06 -0.68 0.20 -1.26 -0.71 118.68 120.55 1j12 s LEU 396 Ca 0.42 -0.24 -0.14 0.00 0.69 0.00 0.00 54.13 54.86 1j12 s LEU 396 Cb -0.19 -1.88 0.02 0.00 -0.43 0.00 0.00 46.19 43.72 1j12 s LEU 396 CO 0.21 -0.02 0.31 -0.60 -0.29 0.00 0.00 176.35 175.95 1j12 s ARG 397 N 1.54 0.85 0.00 1.98 3.52 -1.26 -4.35 118.95 121.24 1j12 s ARG 397 Ca 0.06 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 55.07 1j12 s ARG 397 Cb -0.15 0.37 0.00 0.00 -1.56 0.00 0.00 34.95 33.61 1j12 s ARG 397 CO 0.02 -0.28 0.00 0.98 -0.81 0.00 0.00 175.30 175.21 1j12 n TYR 398 N 0.38 0.00 0.03 5.12 9.36 0.74 -0.26 117.16 132.53 1j12 n TYR 398 Ca -0.18 0.00 0.21 0.00 3.32 0.00 0.00 57.90 61.26 1j12 n TYR 398 Cb 0.60 0.00 0.73 0.00 -0.63 0.00 0.00 39.34 40.05 1j12 n TYR 398 CO 0.00 0.00 0.00 -0.56 0.22 0.00 0.00 176.86 176.52 1j12 h GLN 399 N 0.00 0.00 -0.52 2.98 -0.00 -1.95 -1.35 115.11 114.27 1j12 h GLN 399 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.67 1j12 h GLN 399 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.45 1j12 h GLN 399 CO 0.00 0.00 0.31 -0.44 -0.00 0.00 0.00 178.83 178.70 1j12 h ASP 400 N 0.00 0.49 0.11 0.06 3.32 -1.01 -2.63 116.42 116.76 1j12 h ASP 400 Ca 0.24 0.01 -0.33 0.00 0.02 0.00 0.00 57.03 56.96 1j12 h ASP 400 Cb 1.14 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.53 1j12 h ASP 400 CO -0.00 0.35 -2.22 1.33 -1.72 0.00 0.00 179.24 176.98 1j12 n VAL 401 N -4.80 1.37 -0.31 -1.35 0.24 -1.05 -4.01 118.33 108.41 1j12 n VAL 401 Ca 0.04 -0.83 -0.04 0.00 -2.04 0.00 0.00 64.34 61.47 1j12 n VAL 401 Cb 0.08 -0.56 0.08 0.00 -1.47 0.00 0.00 33.84 31.97 1j12 n VAL 401 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1j12 h MET 402 N 0.00 1.11 -0.54 7.34 -1.53 -1.26 -2.66 114.93 117.39 1j12 h MET 402 Ca -0.47 -0.07 0.00 0.00 -3.44 0.00 0.00 59.70 55.73 1j12 h MET 402 Cb 2.13 -0.25 0.00 0.00 -0.55 0.00 0.00 31.60 32.93 1j12 h MET 402 CO 0.04 0.74 0.00 0.66 0.14 0.00 0.00 176.91 178.48 1j12 n TYR 403 N -4.50 1.85 -3.41 1.39 0.53 -0.99 -4.70 117.16 107.33 1j12 n TYR 403 Ca 0.09 -0.73 -0.20 0.00 -1.02 0.00 0.00 57.90 56.04 1j12 n TYR 403 Cb 0.01 -0.45 -0.10 0.00 -1.03 0.00 0.00 39.34 37.78 1j12 n TYR 403 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1j12 s ASN 404 N -0.96 1.82 0.46 7.72 3.84 -1.00 -5.03 114.94 121.79 1j12 s ASN 404 Ca 0.52 -1.32 0.20 0.00 0.21 0.00 0.00 52.86 52.47 1j12 s ASN 404 Cb 0.39 0.33 1.11 0.00 -0.55 0.00 0.00 41.25 42.53 1j12 s ASN 404 CO 0.16 -0.33 1.97 0.78 -2.79 0.00 0.00 177.10 176.89 1j12 h ASN 405 N 7.64 0.00 -0.10 -4.21 4.21 -1.84 -1.59 115.58 119.68 1j12 h ASN 405 Ca -0.04 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.43 1j12 h ASN 405 Cb 1.05 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.24 1j12 h ASN 405 CO 0.28 0.21 -0.08 0.77 -1.29 0.00 0.00 177.43 177.33 1j12 h SER 406 N 0.00 0.24 -0.80 5.81 4.64 -1.95 -0.91 113.55 120.58 1j12 h SER 406 Ca -0.00 -0.45 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 1j12 h SER 406 Cb 0.45 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.44 1j12 h SER 406 CO 0.03 0.65 0.34 -0.07 -0.87 0.00 0.00 176.83 176.90 1j12 h LEU 407 N -0.15 1.09 -0.88 5.97 3.38 -1.89 -2.18 115.31 120.64 1j12 h LEU 407 Ca 0.02 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1j12 h LEU 407 Cb 0.57 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1j12 h LEU 407 CO 0.02 0.95 0.58 -0.03 0.09 0.00 0.00 178.44 180.05 1j12 h MET 408 N 1.16 1.16 -0.40 1.13 4.05 -1.17 -0.82 114.93 120.03 1j12 h MET 408 Ca 0.27 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.54 1j12 h MET 408 Cb 0.19 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 1j12 h MET 408 CO -0.03 0.76 -0.09 0.78 0.23 0.00 0.00 176.91 178.56 1j12 h GLY 409 N 1.19 0.76 1.95 1.39 0.00 -0.68 -1.27 103.07 106.42 1j12 h GLY 409 Ca 0.32 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 1j12 h GLY 409 CO -0.07 0.51 -0.61 0.50 0.00 0.00 0.00 176.54 176.86 1j12 h LYS 410 N 0.65 0.05 -0.29 4.80 1.57 -0.88 -2.30 116.57 120.17 1j12 h LYS 410 Ca 0.12 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.68 1j12 h LYS 410 Cb 0.54 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1j12 h LYS 410 CO 0.03 0.65 -0.52 0.35 -0.57 0.00 0.00 179.45 179.39 1j12 h PHE 411 N 0.04 1.02 0.24 -1.35 3.57 -0.78 -2.12 116.94 117.57 1j12 h PHE 411 Ca -0.01 -0.35 -0.00 0.00 3.53 0.00 0.00 57.97 61.14 1j12 h PHE 411 Cb 1.09 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1j12 h PHE 411 CO 0.00 1.16 -0.17 -0.22 -2.23 0.00 0.00 178.31 176.86 1j12 h LYS 412 N 0.64 -0.39 0.36 1.11 3.64 -1.02 0.18 116.57 121.08 1j12 h LYS 412 Ca 0.02 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1j12 h LYS 412 Cb 1.11 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1j12 h LYS 412 CO 0.11 -0.26 -0.30 0.22 -2.27 0.00 0.00 179.45 176.95 1j12 h ASP 413 N -0.41 -0.79 0.00 4.20 3.58 -1.42 -2.59 116.42 118.99 1j12 h ASP 413 Ca -0.02 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1j12 h ASP 413 Cb 0.35 0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1j12 h ASP 413 CO 0.01 -0.44 -0.00 -0.07 -2.88 0.00 0.00 179.24 175.86 1j12 h LEU 414 N -0.67 -0.00 0.00 2.28 3.38 -1.37 -3.43 115.31 115.51 1j12 h LEU 414 Ca -0.03 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1j12 h LEU 414 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1j12 h LEU 414 CO -0.03 0.79 -1.30 0.18 0.09 0.00 0.00 178.44 178.17 1j12 n LEU 415 N -4.71 0.05 -2.43 1.67 4.77 0.24 -4.71 117.00 111.88 1j12 n LEU 415 Ca -0.09 -0.06 -0.25 0.00 -0.03 0.00 0.00 56.01 55.58 1j12 n LEU 415 Cb 0.39 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.40 1j12 n LEU 415 CO 0.34 0.01 1.61 0.61 -1.33 0.00 0.00 177.39 178.63 1j12 n GLY 416 N 1.90 4.15 3.95 -0.72 0.00 0.38 -4.74 105.19 110.11 1j12 n GLY 416 Ca -0.01 -1.78 -0.24 0.00 0.00 0.00 0.00 46.02 43.99 1j12 n GLY 416 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j12 s VAL 417 N -1.70 5.18 -0.27 1.61 -7.23 -1.26 -4.36 120.40 112.37 1j12 s VAL 417 Ca 0.60 -0.63 -0.02 0.00 -1.81 0.00 0.00 61.98 60.13 1j12 s VAL 417 Cb 0.37 -3.83 0.03 0.00 0.56 0.00 0.00 36.38 33.51 1j12 s VAL 417 CO -0.19 -0.39 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.29 1j12 s THR 418 N -2.09 2.92 0.15 5.32 2.01 -1.26 -4.85 115.64 117.84 1j12 s THR 418 Ca 0.37 -1.14 -0.31 0.00 0.31 0.00 0.00 61.69 60.92 1j12 s THR 418 Cb -0.10 -2.55 -0.10 0.00 0.01 0.00 0.00 72.50 69.76 1j12 s THR 418 CO 0.32 0.09 1.63 -2.84 -0.69 0.00 0.00 174.62 173.13 1j12 s PRO 419 N 1.30 4.19 -0.04 4.92 0.02 -1.26 -0.65 135.00 143.48 1j12 s PRO 419 Ca -0.02 2.41 0.01 0.00 0.02 0.00 0.00 61.00 63.43 1j12 s PRO 419 Cb -0.18 -3.27 0.02 0.00 0.02 0.00 0.00 34.50 31.09 1j12 s PRO 419 CO -0.03 -0.67 -0.06 0.54 -0.33 0.00 0.00 177.00 176.45 1j12 s VAL 420 N 1.58 0.64 -0.02 3.83 0.11 0.17 -4.86 120.40 121.87 1j12 s VAL 420 Ca 0.72 -0.20 -0.29 0.00 -2.93 0.00 0.00 61.98 59.28 1j12 s VAL 420 Cb -0.44 -0.64 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 1j12 s VAL 420 CO 0.32 0.24 0.95 -0.32 -3.33 0.00 0.00 175.10 172.96 1j12 s MET 421 N 0.77 4.54 0.06 1.54 1.75 -1.26 -0.60 119.30 126.09 1j12 s MET 421 Ca -0.11 1.35 0.03 0.00 -1.25 0.00 0.00 55.69 55.71 1j12 s MET 421 Cb -0.14 -3.46 -0.03 0.00 2.84 0.00 0.00 34.83 34.04 1j12 s MET 421 CO 0.01 -0.05 -0.10 -0.65 -0.65 0.00 0.00 175.02 173.58 1j12 s GLN 422 N 1.04 0.68 -0.25 4.11 -1.52 0.89 -4.37 119.66 120.24 1j12 s GLN 422 Ca 0.50 -0.91 -0.12 0.00 -1.95 0.00 0.00 55.36 52.88 1j12 s GLN 422 Cb -0.20 -0.47 -0.05 0.00 -0.22 0.00 0.00 33.01 32.07 1j12 s GLN 422 CO 0.26 0.09 0.23 0.99 -0.25 0.00 0.00 175.29 176.61 1j12 s THR 423 N -1.64 5.30 -0.22 -0.19 2.01 -0.93 -0.06 115.64 119.90 1j12 s THR 423 Ca -0.04 0.30 -0.09 0.00 0.31 0.00 0.00 61.69 62.17 1j12 s THR 423 Cb -0.08 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 1j12 s THR 423 CO 0.01 0.28 0.12 -0.63 -0.69 0.00 0.00 174.62 173.71 1j12 s ILE 424 N 1.43 5.16 -0.11 1.82 -1.09 -0.00 -0.32 121.20 128.09 1j12 s ILE 424 Ca 0.10 0.11 0.01 0.00 -2.23 0.00 0.00 60.65 58.64 1j12 s ILE 424 Cb -0.15 -3.37 0.02 0.00 -1.58 0.00 0.00 42.46 37.38 1j12 s ILE 424 CO 0.08 0.40 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.36 1j12 s VAL 425 N 0.73 1.41 -0.14 2.92 1.01 0.82 -1.47 120.40 125.68 1j12 s VAL 425 Ca 0.06 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1j12 s VAL 425 Cb -0.13 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1j12 s VAL 425 CO 0.02 0.42 -0.21 -0.69 0.00 0.00 0.00 175.10 174.65 1j12 s VAL 426 N 1.11 2.19 0.39 2.92 1.01 0.11 -1.17 120.40 126.95 1j12 s VAL 426 Ca -0.05 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.08 1j12 s VAL 426 Cb -0.14 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 1j12 s VAL 426 CO -0.03 0.54 0.51 -0.54 0.00 0.00 0.00 175.10 175.58 1j12 s LYS 427 N 0.83 2.87 -1.46 2.72 -0.14 0.11 -1.82 119.74 122.86 1j12 s LYS 427 Ca -0.06 -1.21 -0.12 0.00 -1.36 0.00 0.00 55.97 53.22 1j12 s LYS 427 Cb -0.15 -2.72 0.09 0.00 -1.68 0.00 0.00 37.83 33.36 1j12 s LYS 427 CO -0.02 -0.15 0.72 0.09 -0.76 0.00 0.00 175.35 175.23 1j12 n ASN 428 N -1.74 -4.23 -4.66 2.83 3.02 -1.26 -0.94 115.26 108.29 1j12 n ASN 428 Ca 0.05 -0.62 -0.42 0.00 -0.03 0.00 0.00 54.58 53.56 1j12 n ASN 428 Cb 0.59 -3.44 -0.03 0.00 -0.61 0.00 0.00 39.78 36.29 1j12 n ASN 428 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1j12 s VAL 429 N -3.13 4.77 -1.26 2.41 1.01 -1.26 -4.45 120.40 118.48 1j12 s VAL 429 Ca 0.54 1.82 -0.18 0.00 0.00 0.00 0.00 61.98 64.17 1j12 s VAL 429 Cb -0.28 -4.22 0.08 0.00 0.00 0.00 0.00 36.38 31.96 1j12 s VAL 429 CO 0.67 -0.10 1.67 -2.16 0.00 0.00 0.00 175.10 175.18 1j12 s PRO 430 N 2.81 3.98 0.33 2.72 0.04 -1.26 -4.99 135.00 138.63 1j12 s PRO 430 Ca 0.41 -2.03 0.07 0.00 0.04 0.00 0.00 61.00 59.49 1j12 s PRO 430 Cb -0.16 -5.45 -0.01 0.00 0.04 0.00 0.00 34.50 28.92 1j12 s PRO 430 CO 0.08 -2.18 0.43 0.95 0.04 0.00 0.00 177.00 176.33 1j12 s THR 431 N 3.87 3.98 0.17 1.26 -4.23 -1.26 -5.11 115.64 114.33 1j12 s THR 431 Ca 0.52 -1.07 0.02 0.00 -1.18 0.00 0.00 61.69 59.97 1j12 s THR 431 Cb 0.03 -3.37 -0.05 0.00 1.34 0.00 0.00 72.50 70.45 1j12 s THR 431 CO 0.06 -0.16 0.01 -0.89 -0.54 0.00 0.00 174.62 173.09 1j12 s THR 432 N -2.20 0.63 0.12 3.99 2.01 -1.26 -5.04 115.64 113.89 1j12 s THR 432 Ca 0.44 -1.97 -0.35 0.00 0.31 0.00 0.00 61.69 60.12 1j12 s THR 432 Cb -0.09 -2.11 -0.16 0.00 0.01 0.00 0.00 72.50 70.16 1j12 s THR 432 CO 0.30 -0.48 1.36 2.30 -0.69 0.00 0.00 174.62 177.41 1j12 n ILE 433 N -0.23 0.20 0.00 1.82 -5.35 -1.26 -0.84 119.36 113.71 1j12 n ILE 433 Ca -0.07 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 1j12 n ILE 433 Cb 0.63 -1.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.54 1j12 n ILE 433 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j12 n GLY 434 N 2.58 3.38 3.73 3.28 0.00 -1.26 -4.83 105.19 112.08 1j12 n GLY 434 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1j12 n GLY 434 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j12 s ASP 435 N -0.65 7.26 0.05 1.61 1.01 -0.02 -3.42 116.67 122.51 1j12 s ASP 435 Ca 0.00 2.01 0.08 0.00 0.71 0.00 0.00 52.55 55.35 1j12 s ASP 435 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1j12 s ASP 435 CO 0.00 -0.26 -0.22 0.42 0.21 0.00 0.00 175.17 175.32 1j12 s THR 436 N 0.16 1.79 -0.12 -1.27 -4.23 -0.68 -4.83 115.64 106.47 1j12 s THR 436 Ca 0.51 -1.27 -0.05 0.00 -1.18 0.00 0.00 61.69 59.70 1j12 s THR 436 Cb -0.28 -1.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 1j12 s THR 436 CO 0.33 0.23 0.08 -0.69 -0.54 0.00 0.00 174.62 174.03 1j12 s VAL 437 N -0.82 4.99 0.25 2.29 1.01 -1.26 -0.46 120.40 126.40 1j12 s VAL 437 Ca 0.09 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1j12 s VAL 437 Cb -0.09 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1j12 s VAL 437 CO 0.02 0.59 0.11 -0.31 0.00 0.00 0.00 175.10 175.51 1j12 s TYR 438 N -0.80 1.46 0.03 5.22 1.51 -0.53 -0.80 117.35 123.44 1j12 s TYR 438 Ca 0.13 -1.25 0.02 0.00 -1.01 0.00 0.00 57.07 54.96 1j12 s TYR 438 Cb -0.12 -0.82 -0.02 0.00 -0.11 0.00 0.00 41.96 40.89 1j12 s TYR 438 CO 0.03 -0.42 -0.07 0.96 -1.11 0.00 0.00 175.55 174.94 1j12 s ILE 439 N -3.83 0.45 0.04 2.71 -4.36 0.19 -1.20 121.20 115.20 1j12 s ILE 439 Ca 0.38 -0.94 -0.10 0.00 -0.26 0.00 0.00 60.65 59.73 1j12 s ILE 439 Cb 0.07 -0.52 0.01 0.00 1.25 0.00 0.00 42.46 43.27 1j12 s ILE 439 CO 0.14 -0.34 0.21 0.28 0.24 0.00 0.00 174.94 175.46 1j12 s THR 440 N -1.24 0.11 0.20 8.37 -1.32 -1.01 -1.49 115.64 119.26 1j12 s THR 440 Ca -0.09 -0.87 -0.02 0.00 -1.21 0.00 0.00 61.69 59.49 1j12 s THR 440 Cb -0.09 -0.93 0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1j12 s THR 440 CO 0.00 -0.48 0.30 0.61 -2.21 0.00 0.00 174.62 172.84 1j12 n GLY 441 N 0.65 2.36 0.25 6.08 0.00 -0.88 -1.54 105.19 112.12 1j12 n GLY 441 Ca -0.19 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 1j12 n GLY 441 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1j12 h ASN 442 N 1.08 0.85 -4.16 1.61 -1.07 -1.62 0.36 115.58 112.63 1j12 h ASN 442 Ca -0.15 -0.32 -0.48 0.00 0.07 0.00 0.00 56.30 55.42 1j12 h ASN 442 Cb 0.65 -0.23 0.04 0.00 -2.07 0.00 0.00 38.32 36.71 1j12 h ASN 442 CO 0.21 0.96 0.38 -0.13 0.07 0.00 0.00 177.43 178.91 1j12 s ARG 443 N -4.98 3.67 0.59 4.14 0.52 -1.26 -4.28 118.95 117.35 1j12 s ARG 443 Ca -0.12 1.17 0.28 0.00 -0.52 0.00 0.00 55.73 56.54 1j12 s ARG 443 Cb 0.11 -2.09 1.70 0.00 0.52 0.00 0.00 34.95 35.20 1j12 s ARG 443 CO 0.82 -0.51 2.16 0.00 0.02 0.00 0.00 175.30 177.79 1j12 h ALA 444 N 0.94 1.72 0.00 2.13 0.00 -1.91 0.16 119.26 122.30 1j12 h ALA 444 Ca -0.48 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1j12 h ALA 444 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1j12 h ALA 444 CO 0.59 -0.17 -0.10 0.93 0.00 0.00 0.00 179.25 180.50 1j12 h GLU 445 N 0.00 0.00 -0.38 0.00 3.07 -1.89 -2.83 114.58 112.55 1j12 h GLU 445 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1j12 h GLU 445 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1j12 h GLU 445 CO -0.00 0.10 0.00 1.28 -1.40 0.00 0.00 179.01 178.99 1j12 n LEU 446 N -3.29 3.14 0.00 1.33 4.77 0.52 -4.48 117.00 119.00 1j12 n LEU 446 Ca -0.00 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.30 1j12 n LEU 446 Cb 0.33 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1j12 n LEU 446 CO 0.30 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1j12 n GLY 447 N 1.07 0.63 3.87 -0.72 0.00 -1.04 -2.07 105.19 106.93 1j12 n GLY 447 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1j12 n GLY 447 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j12 n SER 448 N 0.00 -2.86 0.00 1.61 7.64 -0.87 -1.59 113.62 117.55 1j12 n SER 448 Ca 0.00 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1j12 n SER 448 Cb 0.00 -3.76 0.00 0.00 -1.01 0.00 0.00 64.21 59.44 1j12 n SER 448 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1j12 n TRP 449 N -4.49 0.00 -2.43 1.43 7.02 0.12 -4.92 117.44 114.18 1j12 n TRP 449 Ca -0.12 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 55.96 1j12 n TRP 449 Cb 0.60 -0.75 -0.04 0.00 -2.42 0.00 0.00 31.31 28.70 1j12 n TRP 449 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1j12 s ASP 450 N -2.22 7.17 0.00 -0.99 2.15 -0.62 -4.93 116.67 117.23 1j12 s ASP 450 Ca 0.00 2.32 0.02 0.00 0.43 0.00 0.00 52.55 55.31 1j12 s ASP 450 Cb 0.00 -2.63 -0.01 0.00 -0.30 0.00 0.00 42.92 39.98 1j12 s ASP 450 CO 0.00 -0.22 0.15 0.35 -0.17 0.00 0.00 175.17 175.29 1j12 n THR 451 N 1.07 0.00 -0.07 1.71 -2.24 -1.26 -3.63 114.28 109.86 1j12 n THR 451 Ca -0.01 -0.47 -0.08 0.00 -2.27 0.00 0.00 64.05 61.23 1j12 n THR 451 Cb 0.45 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.64 1j12 n THR 451 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1j12 h LYS 452 N 0.06 0.00 0.00 -0.78 3.64 -1.96 -3.44 116.57 114.09 1j12 h LYS 452 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1j12 h LYS 452 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1j12 h LYS 452 CO 0.00 0.33 -0.94 0.00 -2.27 0.00 0.00 179.45 176.57 1j12 n GLN 453 N -4.63 0.96 0.00 1.90 10.64 -1.26 -4.85 117.38 120.14 1j12 n GLN 453 Ca -0.10 -0.01 0.07 0.00 -1.83 0.00 0.00 57.00 55.12 1j12 n GLN 453 Cb 0.30 -0.98 -0.06 0.00 -0.86 0.00 0.00 30.24 28.64 1j12 n GLN 453 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1j12 n TYR 454 N -1.49 0.00 -0.79 2.61 4.01 -1.26 -3.93 117.16 116.31 1j12 n TYR 454 Ca -0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 1j12 n TYR 454 Cb 0.04 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.22 1j12 n TYR 454 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1j12 n PRO 455 N -1.01 -0.30 -4.19 -0.72 -0.04 -1.24 -0.89 135.00 126.62 1j12 n PRO 455 Ca 0.04 -0.03 -0.34 0.00 -0.04 0.00 0.00 63.50 63.13 1j12 n PRO 455 Cb 0.25 -2.21 -0.12 0.00 -0.04 0.00 0.00 33.50 31.39 1j12 n PRO 455 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1j12 s ILE 456 N -2.47 4.17 0.20 0.52 1.01 -0.55 -3.76 121.20 120.31 1j12 s ILE 456 Ca 0.65 -0.25 -0.28 0.00 0.00 0.00 0.00 60.65 60.76 1j12 s ILE 456 Cb -0.24 -2.86 -0.08 0.00 0.01 0.00 0.00 42.46 39.29 1j12 s ILE 456 CO 0.60 0.46 0.88 -1.58 0.00 0.00 0.00 174.94 175.30 1j12 s GLN 457 N 0.58 4.73 0.30 2.79 0.74 -0.71 -0.64 119.66 127.45 1j12 s GLN 457 Ca -0.00 1.35 0.08 0.00 0.05 0.00 0.00 55.36 56.84 1j12 s GLN 457 Cb -0.14 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 1j12 s GLN 457 CO 0.02 0.51 0.15 -0.51 -0.55 0.00 0.00 175.29 174.91 1j12 s LEU 458 N -1.03 3.44 0.07 3.68 1.43 0.02 -4.86 118.68 121.42 1j12 s LEU 458 Ca 0.39 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 1j12 s LEU 458 Cb -0.25 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1j12 s LEU 458 CO 0.29 -0.18 -0.20 -0.31 0.23 0.00 0.00 176.35 176.18 1j12 s TYR 459 N -2.31 1.72 0.43 0.29 1.51 0.70 -4.44 117.35 115.24 1j12 s TYR 459 Ca 0.36 -0.39 -0.24 0.00 -1.01 0.00 0.00 57.07 55.79 1j12 s TYR 459 Cb -0.05 -0.99 -0.08 0.00 -0.11 0.00 0.00 41.96 40.73 1j12 s TYR 459 CO 0.23 0.13 1.14 -0.47 -1.11 0.00 0.00 175.55 175.47 1j12 s TYR 460 N -0.97 3.03 -0.34 2.71 5.04 -1.26 -0.90 117.35 124.66 1j12 s TYR 460 Ca 0.06 1.57 0.02 0.00 -2.44 0.00 0.00 57.07 56.28 1j12 s TYR 460 Cb -0.09 -3.32 0.09 0.00 0.35 0.00 0.00 41.96 38.99 1j12 s TYR 460 CO 0.03 -1.23 0.06 0.34 -1.34 0.00 0.00 175.55 173.41 1j12 s ASP 461 N -1.34 4.85 0.47 4.32 3.68 0.14 -4.90 116.67 123.90 1j12 s ASP 461 Ca 0.60 -1.96 0.14 0.00 2.13 0.00 0.00 52.55 53.47 1j12 s ASP 461 Cb -0.28 -1.67 1.09 0.00 -1.45 0.00 0.00 42.92 40.62 1j12 s ASP 461 CO 0.34 -0.38 2.07 0.77 0.13 0.00 0.00 175.17 178.09 1j12 h SER 462 N 7.77 0.07 0.02 -0.34 4.64 -1.95 0.78 113.55 124.53 1j12 h SER 462 Ca -0.10 -0.01 -0.26 0.00 -0.47 0.00 0.00 61.79 60.95 1j12 h SER 462 Cb 1.03 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1j12 h SER 462 CO 0.56 0.13 -1.05 0.45 -0.87 0.00 0.00 176.83 176.05 1j12 h HIS 463 N 0.07 1.02 0.00 4.77 3.86 -1.96 -3.30 115.15 119.61 1j12 h HIS 463 Ca 0.02 -0.57 0.00 0.00 -1.16 0.00 0.00 60.37 58.66 1j12 h HIS 463 Cb 0.14 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1j12 h HIS 463 CO 0.00 1.40 -0.91 0.43 0.86 0.00 0.00 177.93 179.71 1j12 n SER 464 N -3.87 0.65 -3.44 2.45 7.64 -1.11 -4.98 113.62 110.96 1j12 n SER 464 Ca -0.11 -0.36 -0.21 0.00 1.01 0.00 0.00 58.87 59.20 1j12 n SER 464 Cb 0.89 0.72 0.08 0.00 -1.01 0.00 0.00 64.21 64.88 1j12 n SER 464 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1j12 n ASN 465 N -1.78 -4.83 -3.12 6.43 5.15 0.27 -5.00 115.26 112.39 1j12 n ASN 465 Ca 0.03 -0.55 -0.16 0.00 -0.60 0.00 0.00 54.58 53.30 1j12 n ASN 465 Cb 0.40 -4.90 -0.04 0.00 -0.53 0.00 0.00 39.78 34.70 1j12 n ASN 465 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1j12 n ASP 466 N -2.92 -1.29 -4.46 1.20 3.85 -1.09 -4.76 116.55 107.09 1j12 n ASP 466 Ca -0.09 -3.02 -0.34 0.00 -0.71 0.00 0.00 54.79 50.63 1j12 n ASP 466 Cb 0.59 2.48 -0.12 0.00 -1.35 0.00 0.00 41.12 42.72 1j12 n ASP 466 CO 0.00 0.00 0.00 0.26 -1.01 0.00 0.00 177.20 176.45 1j12 s TRP 467 N -2.93 3.02 0.26 2.11 0.52 -0.76 0.27 118.94 121.44 1j12 s TRP 467 Ca 0.32 -0.42 -0.11 0.00 0.02 0.00 0.00 56.10 55.91 1j12 s TRP 467 Cb -0.00 -2.02 -0.00 0.00 -1.15 0.00 0.00 33.47 30.29 1j12 s TRP 467 CO 0.23 -0.17 0.46 -0.98 0.02 0.00 0.00 176.95 176.52 1j12 s ARG 468 N 0.72 1.60 -0.21 4.98 1.70 -0.08 0.04 118.95 127.71 1j12 s ARG 468 Ca -0.01 -1.36 -0.31 0.00 -0.47 0.00 0.00 55.73 53.58 1j12 s ARG 468 Cb -0.14 0.46 0.15 0.00 -0.57 0.00 0.00 34.95 34.85 1j12 s ARG 468 CO 0.02 -0.66 1.17 0.20 -1.08 0.00 0.00 175.30 174.95 1j12 s GLY 469 N -3.06 -0.14 -0.44 3.88 0.00 -0.54 -0.22 107.32 106.80 1j12 s GLY 469 Ca 0.25 2.22 -0.22 0.00 0.00 0.00 0.00 44.72 46.97 1j12 s GLY 469 CO 0.11 0.94 0.72 -1.31 0.00 0.00 0.00 173.10 173.56 1j12 s ASN 470 N -1.33 6.38 0.01 1.64 -0.87 -1.26 -0.82 114.94 118.68 1j12 s ASN 470 Ca 0.05 -0.17 0.02 0.00 -1.57 0.00 0.00 52.86 51.19 1j12 s ASN 470 Cb -0.01 -2.36 -0.04 0.00 -0.02 0.00 0.00 41.25 38.83 1j12 s ASN 470 CO -0.04 -0.84 -0.03 -0.69 -2.57 0.00 0.00 177.10 172.94 1j12 s VAL 471 N 3.06 3.94 -0.42 1.60 1.01 0.91 -4.90 120.40 125.60 1j12 s VAL 471 Ca 0.27 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 1j12 s VAL 471 Cb -0.13 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.52 1j12 s VAL 471 CO 0.21 0.37 0.44 -0.69 0.00 0.00 0.00 175.10 175.42 1j12 s VAL 472 N -1.06 5.09 0.28 2.92 1.01 -1.26 -0.07 120.40 127.30 1j12 s VAL 472 Ca 0.19 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 61.93 1j12 s VAL 472 Cb -0.11 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1j12 s VAL 472 CO 0.10 -0.41 0.06 -0.76 0.00 0.00 0.00 175.10 174.09 1j12 s LEU 473 N 2.14 3.32 -0.32 3.92 2.01 0.23 -4.31 118.68 125.67 1j12 s LEU 473 Ca 0.12 -0.60 -0.29 0.00 0.01 0.00 0.00 54.13 53.37 1j12 s LEU 473 Cb -0.17 -1.84 0.01 0.00 0.01 0.00 0.00 46.19 44.20 1j12 s LEU 473 CO 0.14 -0.07 1.27 -2.16 1.01 0.00 0.00 176.35 176.53 1j12 s PRO 474 N -3.74 3.90 0.43 1.29 0.04 -1.26 -0.65 135.00 135.01 1j12 s PRO 474 Ca 0.33 1.15 -0.25 0.00 0.04 0.00 0.00 61.00 62.27 1j12 s PRO 474 Cb -0.06 -3.87 -0.09 0.00 0.04 0.00 0.00 34.50 30.52 1j12 s PRO 474 CO 0.21 -1.14 1.23 0.00 0.04 0.00 0.00 177.00 177.34 1j12 n ALA 475 N 7.62 1.12 -2.03 8.56 0.00 0.17 -3.00 120.51 132.95 1j12 n ALA 475 Ca 0.14 0.24 -0.20 0.00 0.00 0.00 0.00 53.44 53.62 1j12 n ALA 475 Cb 0.47 -2.24 -0.04 0.00 0.00 0.00 0.00 19.45 17.63 1j12 n ALA 475 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1j12 n GLU 476 N -0.05 -1.60 -4.27 0.00 1.02 0.58 -4.62 120.64 111.69 1j12 n GLU 476 Ca 0.07 1.07 -0.29 0.00 -0.02 0.00 0.00 57.16 57.99 1j12 n GLU 476 Cb 0.40 -5.60 -0.11 0.00 -0.02 0.00 0.00 31.44 26.12 1j12 n GLU 476 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1j12 s ARG 477 N -4.43 1.90 -0.04 3.49 1.81 -1.16 -4.73 118.95 115.79 1j12 s ARG 477 Ca 0.00 -1.13 -0.28 0.00 -1.72 0.00 0.00 55.73 52.60 1j12 s ARG 477 Cb 0.00 -2.18 -0.03 0.00 -0.45 0.00 0.00 34.95 32.29 1j12 s ARG 477 CO 0.00 0.49 0.89 -0.80 -0.68 0.00 0.00 175.30 175.20 1j12 s ASN 478 N -2.18 7.22 0.09 0.23 -0.87 -1.26 -0.67 114.94 117.51 1j12 s ASN 478 Ca 0.19 1.48 0.07 0.00 -1.57 0.00 0.00 52.86 53.03 1j12 s ASN 478 Cb -0.11 -2.52 -0.03 0.00 -0.02 0.00 0.00 41.25 38.57 1j12 s ASN 478 CO 0.11 -0.24 -0.17 0.27 -2.57 0.00 0.00 177.10 174.50 1j12 s ILE 479 N 1.11 1.43 -0.06 0.60 -4.36 -0.67 -4.94 121.20 114.31 1j12 s ILE 479 Ca 0.47 -1.48 0.05 0.00 -0.26 0.00 0.00 60.65 59.43 1j12 s ILE 479 Cb -0.20 -1.36 -0.00 0.00 1.25 0.00 0.00 42.46 42.15 1j12 s ILE 479 CO 0.23 -0.17 -0.21 -1.61 0.24 0.00 0.00 174.94 173.42 1j12 s GLU 480 N -1.95 2.35 0.13 0.37 0.41 -1.26 -1.94 118.70 116.81 1j12 s GLU 480 Ca 0.04 -0.76 -0.16 0.00 -0.41 0.00 0.00 54.97 53.68 1j12 s GLU 480 Cb -0.09 -1.93 0.03 0.00 -1.78 0.00 0.00 34.13 30.36 1j12 s GLU 480 CO 0.03 0.25 0.41 -0.59 -0.49 0.00 0.00 175.26 174.88 1j12 s PHE 481 N 0.10 -0.18 -0.13 1.61 -0.12 -0.24 -1.59 117.98 117.43 1j12 s PHE 481 Ca -0.08 -0.14 -0.13 0.00 -0.05 0.00 0.00 56.93 56.52 1j12 s PHE 481 Cb -0.14 0.26 0.04 0.00 -0.63 0.00 0.00 43.02 42.55 1j12 s PHE 481 CO 0.04 -0.72 0.37 0.21 -0.05 0.00 0.00 175.22 175.08 1j12 s LYS 482 N -3.81 0.46 0.50 1.99 2.20 -0.59 -0.38 119.74 120.11 1j12 s LYS 482 Ca 0.04 0.47 -0.06 0.00 -0.36 0.00 0.00 55.97 56.06 1j12 s LYS 482 Cb 0.02 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.52 1j12 s LYS 482 CO -0.11 -0.06 0.82 0.00 -0.36 0.00 0.00 175.35 175.64 1j12 s ALA 483 N 0.08 3.35 0.01 3.13 0.00 -1.26 -2.39 121.76 124.68 1j12 s ALA 483 Ca -0.01 -0.43 -0.23 0.00 0.00 0.00 0.00 51.96 51.29 1j12 s ALA 483 Cb -0.03 -2.67 0.05 0.00 0.00 0.00 0.00 23.12 20.47 1j12 s ALA 483 CO 0.01 -0.39 0.52 -0.59 0.00 0.00 0.00 175.76 175.30 1j12 s PHE 484 N -2.80 -0.43 -0.15 0.00 -0.12 -0.34 -0.84 117.98 113.29 1j12 s PHE 484 Ca 0.49 0.60 -0.07 0.00 -0.05 0.00 0.00 56.93 57.90 1j12 s PHE 484 Cb -0.10 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 1j12 s PHE 484 CO 0.46 -0.58 0.09 0.42 -0.05 0.00 0.00 175.22 175.56 1j12 s ILE 485 N -1.87 5.08 -0.14 -4.49 1.01 -0.15 -1.46 121.20 119.18 1j12 s ILE 485 Ca -0.09 0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.59 1j12 s ILE 485 Cb -0.01 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 1j12 s ILE 485 CO 0.03 0.53 -0.04 -0.54 0.00 0.00 0.00 174.94 174.92 1j12 s LYS 486 N -0.31 3.52 1.11 2.79 1.02 0.39 -0.48 119.74 127.78 1j12 s LYS 486 Ca 0.10 -0.52 -0.17 0.00 0.02 0.00 0.00 55.97 55.40 1j12 s LYS 486 Cb -0.12 -2.87 0.24 0.00 -0.52 0.00 0.00 37.83 34.57 1j12 s LYS 486 CO 0.01 0.32 1.12 -1.54 -0.92 0.00 0.00 175.35 174.35 1j12 s SER 487 N 0.15 1.73 0.61 2.83 1.04 0.20 -1.68 113.70 118.58 1j12 s SER 487 Ca -0.01 0.78 0.36 0.00 0.48 0.00 0.00 55.95 57.56 1j12 s SER 487 Cb -0.14 -1.15 2.00 0.00 0.10 0.00 0.00 66.02 66.83 1j12 s SER 487 CO 0.03 -3.64 2.26 0.50 0.98 0.00 0.00 173.24 173.37 1j12 h LYS 488 N -2.25 0.00 -0.73 4.02 3.64 -1.88 -1.98 116.57 117.40 1j12 h LYS 488 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1j12 h LYS 488 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1j12 h LYS 488 CO 0.43 0.02 0.00 -0.40 -2.27 0.00 0.00 179.45 177.23 1j12 n ASP 489 N -3.41 3.96 0.00 4.20 5.68 -1.26 -4.95 116.55 120.76 1j12 n ASP 489 Ca -0.02 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.27 1j12 n ASP 489 Cb 0.12 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 1j12 n ASP 489 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j12 n GLY 490 N 1.66 0.65 3.88 6.12 0.00 -0.74 -5.06 105.19 111.69 1j12 n GLY 490 Ca 0.24 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1j12 n GLY 490 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j12 s THR 491 N -2.00 5.29 -0.16 2.61 -4.23 -1.26 -4.83 115.64 111.06 1j12 s THR 491 Ca 0.00 0.23 -0.29 0.00 -1.18 0.00 0.00 61.69 60.45 1j12 s THR 491 Cb 0.00 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 1j12 s THR 491 CO 0.00 0.39 1.67 -0.69 -0.54 0.00 0.00 174.62 175.45 1j12 s VAL 492 N -1.27 3.61 -0.13 2.29 1.01 -1.26 -0.63 120.40 124.02 1j12 s VAL 492 Ca 0.27 0.71 -0.21 0.00 0.00 0.00 0.00 61.98 62.74 1j12 s VAL 492 Cb -0.13 -3.57 -0.26 0.00 0.00 0.00 0.00 36.38 32.42 1j12 s VAL 492 CO 0.15 -0.19 0.59 0.50 0.00 0.00 0.00 175.10 176.15 1j12 h LYS 493 N 10.54 0.14 -2.30 2.72 3.64 -1.12 -3.47 116.57 126.71 1j12 h LYS 493 Ca -0.36 -0.23 0.16 0.00 -1.27 0.00 0.00 60.65 58.94 1j12 h LYS 493 Cb 1.17 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 32.97 1j12 h LYS 493 CO 0.98 1.11 0.49 -1.54 -2.27 0.00 0.00 179.45 178.23 1j12 s SER 494 N -6.77 -0.24 0.21 4.20 1.04 -1.21 -4.99 113.70 105.94 1j12 s SER 494 Ca -0.21 -0.25 0.11 0.00 0.48 0.00 0.00 55.95 56.08 1j12 s SER 494 Cb 0.02 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 1j12 s SER 494 CO 0.72 -0.79 -0.17 0.26 0.98 0.00 0.00 173.24 174.24 1j12 s TRP 495 N -3.21 2.44 0.33 5.02 0.52 -1.26 -0.98 118.94 121.80 1j12 s TRP 495 Ca 0.10 -0.30 -0.29 0.00 0.02 0.00 0.00 56.10 55.63 1j12 s TRP 495 Cb -0.01 -1.16 -0.11 0.00 -1.15 0.00 0.00 33.47 31.04 1j12 s TRP 495 CO -0.02 0.55 1.42 -1.14 0.02 0.00 0.00 176.95 177.79 1j12 s GLN 496 N -2.96 4.23 0.10 4.98 0.74 -0.02 -4.93 119.66 121.80 1j12 s GLN 496 Ca 0.25 2.39 -0.26 0.00 0.05 0.00 0.00 55.36 57.79 1j12 s GLN 496 Cb -0.08 -3.04 -0.12 0.00 1.10 0.00 0.00 33.01 30.88 1j12 s GLN 496 CO 0.13 -0.40 1.68 1.79 -0.55 0.00 0.00 175.29 177.95 1j12 h THR 497 N 3.14 0.66 -3.12 -0.34 1.35 -1.37 -3.43 112.91 109.79 1j12 h THR 497 Ca -0.49 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 64.72 1j12 h THR 497 Cb 1.23 0.66 -0.13 0.00 -1.73 0.00 0.00 68.15 68.17 1j12 h THR 497 CO 0.69 0.00 -0.57 -0.63 -0.25 0.00 0.00 175.52 174.76 1j12 s ILE 498 N -6.13 4.78 0.07 6.82 1.01 -1.26 -5.07 121.20 121.42 1j12 s ILE 498 Ca -0.15 -0.06 -0.31 0.00 0.00 0.00 0.00 60.65 60.14 1j12 s ILE 498 Cb 0.07 -3.08 -0.06 0.00 0.01 0.00 0.00 42.46 39.40 1j12 s ILE 498 CO 0.65 0.56 1.22 -1.58 0.00 0.00 0.00 174.94 175.79 1j12 s GLN 499 N -0.49 4.43 0.41 2.79 0.74 -1.26 -4.90 119.66 121.37 1j12 s GLN 499 Ca 0.10 1.81 0.03 0.00 0.05 0.00 0.00 55.36 57.34 1j12 s GLN 499 Cb -0.12 -3.33 -0.00 0.00 1.10 0.00 0.00 33.01 30.66 1j12 s GLN 499 CO 0.02 -0.26 0.59 -0.65 -0.55 0.00 0.00 175.29 174.44 1j12 s GLN 500 N 0.98 3.07 0.09 1.67 -1.52 0.49 -4.94 119.66 119.51 1j12 s GLN 500 Ca 0.59 -0.71 -0.22 0.00 -1.95 0.00 0.00 55.36 53.07 1j12 s GLN 500 Cb -0.30 -2.66 0.06 0.00 -0.22 0.00 0.00 33.01 29.88 1j12 s GLN 500 CO 0.30 -0.15 0.53 -1.54 -0.25 0.00 0.00 175.29 174.18 1j12 s SER 501 N -4.21 -0.46 -0.24 5.90 1.04 -1.26 -1.08 113.70 113.40 1j12 s SER 501 Ca 0.47 0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.93 1j12 s SER 501 Cb -0.10 0.53 0.08 0.00 0.10 0.00 0.00 66.02 66.63 1j12 s SER 501 CO 0.35 -0.82 0.06 0.86 0.98 0.00 0.00 173.24 174.67 1j12 s TRP 502 N -3.08 1.27 -0.58 5.02 -0.11 -0.82 -4.99 118.94 115.65 1j12 s TRP 502 Ca -0.02 -1.20 0.01 0.00 1.22 0.00 0.00 56.10 56.11 1j12 s TRP 502 Cb -0.00 -1.28 0.15 0.00 -1.50 0.00 0.00 33.47 30.84 1j12 s TRP 502 CO -0.07 -0.73 0.36 -0.80 -4.62 0.00 0.00 176.95 171.10 1j12 s ASN 503 N 1.77 4.78 0.14 5.86 0.02 -1.26 -1.67 114.94 124.58 1j12 s ASN 503 Ca 0.03 -2.99 0.02 0.00 -1.02 0.00 0.00 52.86 48.90 1j12 s ASN 503 Cb -0.17 -1.75 0.02 0.00 0.02 0.00 0.00 41.25 39.37 1j12 s ASN 503 CO -0.16 -0.29 0.16 -0.81 0.02 0.00 0.00 177.10 176.02 1j12 n PRO 504 N 3.22 1.05 -2.28 -0.60 -0.04 -1.26 -5.05 135.00 130.03 1j12 n PRO 504 Ca 0.07 -0.79 -0.42 0.00 -0.04 0.00 0.00 63.50 62.32 1j12 n PRO 504 Cb 0.35 -0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.78 1j12 n PRO 504 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1j12 s VAL 505 N -0.16 3.81 0.55 0.52 1.01 0.15 -4.88 120.40 121.40 1j12 s VAL 505 Ca 0.12 1.21 -0.20 0.00 0.00 0.00 0.00 61.98 63.11 1j12 s VAL 505 Cb -0.01 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1j12 s VAL 505 CO 0.08 0.02 1.23 -2.16 0.00 0.00 0.00 175.10 174.26 1j12 s PRO 506 N 2.08 3.22 0.50 2.72 0.04 -1.26 -0.31 135.00 141.99 1j12 s PRO 506 Ca 0.62 1.90 0.29 0.00 0.04 0.00 0.00 61.00 63.84 1j12 s PRO 506 Cb -0.30 -2.12 1.15 0.00 0.04 0.00 0.00 34.50 33.26 1j12 s PRO 506 CO 0.26 -1.03 1.91 1.25 0.04 0.00 0.00 177.00 179.44 1j12 h LEU 507 N 1.31 0.00 -9.52 -3.56 5.85 -1.95 -3.42 115.31 104.02 1j12 h LEU 507 Ca -0.50 0.00 -0.67 0.00 0.84 0.00 0.00 57.88 57.55 1j12 h LEU 507 Cb 1.28 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.21 1j12 h LEU 507 CO 0.57 0.11 -0.56 -1.59 -0.34 0.00 0.00 178.44 176.63 1j12 s LYS 508 N -3.67 3.17 0.15 1.25 -2.85 -1.26 -4.99 119.74 111.54 1j12 s LYS 508 Ca 0.01 -0.35 -0.31 0.00 -1.00 0.00 0.00 55.97 54.32 1j12 s LYS 508 Cb 0.10 -2.95 -0.11 0.00 -2.06 0.00 0.00 37.83 32.81 1j12 s LYS 508 CO 0.59 0.70 1.78 0.99 0.10 0.00 0.00 175.35 179.51 1j12 s THR 509 N -1.07 2.38 0.00 3.79 2.01 -1.26 -4.94 115.64 116.56 1j12 s THR 509 Ca 0.18 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.25 1j12 s THR 509 Cb -0.12 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.35 1j12 s THR 509 CO 0.08 0.00 0.00 0.41 -0.69 0.00 0.00 174.62 174.42 1j12 n THR 510 N 4.45 0.00 -3.73 -0.82 -1.04 -1.26 -5.05 114.28 106.83 1j12 n THR 510 Ca 0.17 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.04 1j12 n THR 510 Cb 0.37 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.80 1j12 n THR 510 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1j12 s SER 511 N 1.23 -0.28 -0.25 8.00 1.04 -1.26 -2.20 113.70 119.98 1j12 s SER 511 Ca 0.00 0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.67 1j12 s SER 511 Cb 0.00 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.55 1j12 s SER 511 CO 0.00 -0.43 -0.07 -2.28 0.98 0.00 0.00 173.24 171.44 1j12 s HIS 512 N -1.14 3.11 -0.18 5.02 2.46 0.57 -4.95 115.29 120.18 1j12 s HIS 512 Ca -0.12 -1.73 -0.05 0.00 0.47 0.00 0.00 55.06 53.64 1j12 s HIS 512 Cb -0.04 -2.04 -0.03 0.00 -0.13 0.00 0.00 32.58 30.34 1j12 s HIS 512 CO 0.05 -0.77 -0.01 0.99 -2.47 0.00 0.00 174.74 172.53 1j12 s THR 513 N 1.28 4.06 0.11 0.89 2.01 -1.26 -0.13 115.64 122.60 1j12 s THR 513 Ca -0.02 -0.29 -0.04 0.00 0.31 0.00 0.00 61.69 61.65 1j12 s THR 513 Cb -0.17 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 1j12 s THR 513 CO -0.05 0.46 0.10 -0.94 -0.69 0.00 0.00 174.62 173.51 1j12 s SER 514 N 0.60 0.28 0.11 3.53 1.04 -0.31 -5.01 113.70 113.93 1j12 s SER 514 Ca -0.01 -0.98 0.06 0.00 0.48 0.00 0.00 55.95 55.50 1j12 s SER 514 Cb -0.14 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 1j12 s SER 514 CO 0.02 -0.72 -0.02 -0.44 0.98 0.00 0.00 173.24 173.06 1j12 s SER 515 N -2.96 4.84 0.00 7.02 0.01 -1.26 0.07 113.70 121.42 1j12 s SER 515 Ca 0.14 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1j12 s SER 515 Cb 0.06 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 65.21 1j12 s SER 515 CO -0.04 0.16 0.36 1.87 0.41 0.00 0.00 173.24 175.99