#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i9b s ASP 2 N 0.00 5.09 0.42 4.37 3.84 -1.26 -4.39 116.67 124.73 1i9b s ASP 2 Ca 0.00 -0.70 0.17 0.00 -0.00 0.00 0.00 52.55 52.01 1i9b s ASP 2 Cb 0.00 -0.63 1.07 0.00 -1.38 0.00 0.00 42.92 41.98 1i9b s ASP 2 CO 0.00 -0.61 1.86 0.03 -0.00 0.00 0.00 175.17 176.45 1i9b h ARG 3 N 1.06 0.41 -0.07 2.11 3.08 -1.98 0.21 114.38 119.20 1i9b h ARG 3 Ca -0.42 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.60 1i9b h ARG 3 Cb 1.26 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 1i9b h ARG 3 CO 0.57 0.27 0.01 0.00 -1.07 0.00 0.00 179.97 179.76 1i9b h ALA 4 N 1.61 0.09 -0.76 0.04 0.00 -1.99 0.15 119.26 118.41 1i9b h ALA 4 Ca 0.46 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1i9b h ALA 4 Cb 1.12 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1i9b h ALA 4 CO -0.17 -0.27 0.37 -0.44 0.00 0.00 0.00 179.25 178.74 1i9b h ASP 5 N -0.12 0.98 0.30 0.00 3.32 -1.33 0.57 116.42 120.14 1i9b h ASP 5 Ca 0.02 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1i9b h ASP 5 Cb 0.27 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1i9b h ASP 5 CO 0.00 0.82 -0.14 0.40 -1.72 0.00 0.00 179.24 178.60 1i9b h ILE 6 N 1.08 0.72 -0.80 0.35 2.04 -0.48 -1.96 117.51 118.45 1i9b h ILE 6 Ca 0.26 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.59 1i9b h ILE 6 Cb 0.10 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1i9b h ILE 6 CO -0.03 0.11 0.52 -0.07 0.00 0.00 0.00 178.15 178.67 1i9b h LEU 7 N -0.70 0.92 -1.16 1.44 3.38 -0.88 -2.34 115.31 115.97 1i9b h LEU 7 Ca -0.04 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.96 1i9b h LEU 7 Cb 0.48 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1i9b h LEU 7 CO 0.07 0.67 0.58 0.22 0.09 0.00 0.00 178.44 180.07 1i9b h TYR 8 N 1.08 1.03 0.19 1.13 3.20 -0.82 -0.14 116.97 122.64 1i9b h TYR 8 Ca 0.29 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 1i9b h TYR 8 Cb -0.11 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 37.82 1i9b h TYR 8 CO -0.02 0.55 -0.09 -0.91 -1.64 0.00 0.00 178.16 176.05 1i9b h ASN 9 N 1.02 -0.21 -0.82 -2.11 4.21 -0.85 -1.33 115.58 115.50 1i9b h ASN 9 Ca 0.38 -0.30 0.13 0.00 1.21 0.00 0.00 56.30 57.72 1i9b h ASN 9 Cb 0.18 0.05 -0.09 0.00 -1.12 0.00 0.00 38.32 37.35 1i9b h ASN 9 CO -0.14 0.23 0.42 0.40 -1.29 0.00 0.00 177.43 177.05 1i9b h ILE 10 N -0.71 0.78 -0.31 2.81 2.04 -1.18 0.12 117.51 121.06 1i9b h ILE 10 Ca -0.03 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1i9b h ILE 10 Cb 0.50 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1i9b h ILE 10 CO 0.04 0.12 0.08 -0.09 0.00 0.00 0.00 178.15 178.30 1i9b h ARG 11 N 0.64 0.49 0.00 2.37 2.43 -1.01 0.13 114.38 119.42 1i9b h ARG 11 Ca 0.43 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.42 1i9b h ARG 11 Cb 0.55 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1i9b h ARG 11 CO -0.33 0.55 -0.32 0.37 -1.51 0.00 0.00 179.97 178.73 1i9b h GLN 12 N 0.33 0.00 0.00 0.20 5.75 -0.34 -3.34 115.11 117.71 1i9b h GLN 12 Ca 0.10 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 1i9b h GLN 12 Cb 0.28 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 1i9b h GLN 12 CO -0.00 0.32 -1.58 0.25 -2.65 0.00 0.00 178.83 175.17 1i9b n THR 13 N -3.38 0.12 -1.39 2.39 -2.24 0.35 -5.04 114.28 105.08 1i9b n THR 13 Ca 0.01 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.16 1i9b n THR 13 Cb 0.52 0.08 0.09 0.00 -2.10 0.00 0.00 70.33 68.92 1i9b n THR 13 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1i9b s SER 14 N -3.52 4.41 -0.33 3.42 0.15 0.46 -5.04 113.70 113.24 1i9b s SER 14 Ca -0.05 2.06 -0.01 0.00 0.70 0.00 0.00 55.95 58.65 1i9b s SER 14 Cb 0.07 -2.55 0.13 0.00 -1.71 0.00 0.00 66.02 61.95 1i9b s SER 14 CO 0.49 -2.11 0.18 -0.13 1.20 0.00 0.00 173.24 172.87 1i9b s ARG 15 N -4.36 0.41 0.66 5.44 0.52 -1.26 -4.99 118.95 115.37 1i9b s ARG 15 Ca 0.67 -1.03 0.35 0.00 -0.52 0.00 0.00 55.73 55.20 1i9b s ARG 15 Cb -0.22 -1.25 1.91 0.00 0.52 0.00 0.00 34.95 35.91 1i9b s ARG 15 CO 0.49 -1.14 2.10 -1.35 0.02 0.00 0.00 175.30 175.42 1i9b h PRO 16 N 7.54 0.00 -0.04 3.54 0.11 -1.81 -1.67 132.00 139.67 1i9b h PRO 16 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1i9b h PRO 16 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1i9b h PRO 16 CO 0.33 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.87 1i9b n ASP 17 N -3.10 1.49 -4.14 -2.05 8.00 -1.26 -4.25 116.55 111.24 1i9b n ASP 17 Ca -0.02 -1.52 -0.33 0.00 0.71 0.00 0.00 54.79 53.63 1i9b n ASP 17 Cb 0.27 -0.02 -0.15 0.00 -0.02 0.00 0.00 41.12 41.20 1i9b n ASP 17 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1i9b s VAL 18 N -1.97 2.38 0.12 2.53 1.01 -0.63 -5.09 120.40 118.75 1i9b s VAL 18 Ca 0.37 -1.08 -0.31 0.00 0.00 0.00 0.00 61.98 60.96 1i9b s VAL 18 Cb 0.20 -2.14 -0.09 0.00 0.00 0.00 0.00 36.38 34.35 1i9b s VAL 18 CO 0.32 0.33 1.65 -0.51 0.00 0.00 0.00 175.10 176.89 1i9b s ILE 19 N 1.27 2.77 0.00 2.22 2.07 -1.26 -4.83 121.20 123.44 1i9b s ILE 19 Ca 0.01 0.39 -0.02 0.00 -1.41 0.00 0.00 60.65 59.62 1i9b s ILE 19 Cb -0.15 -3.25 -0.08 0.00 0.13 0.00 0.00 42.46 39.10 1i9b s ILE 19 CO -0.09 0.01 1.47 -2.65 -1.91 0.00 0.00 174.94 171.78 1i9b n PRO 20 N 4.95 0.63 -2.70 3.50 -0.02 -1.26 -4.89 135.00 135.21 1i9b n PRO 20 Ca 0.15 -0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 60.92 1i9b n PRO 20 Cb 0.39 -1.65 -0.05 0.00 -0.02 0.00 0.00 33.50 32.18 1i9b n PRO 20 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1i9b s THR 21 N 2.30 4.30 -0.37 3.45 -1.32 -1.26 -4.87 115.64 117.87 1i9b s THR 21 Ca 0.21 2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 62.64 1i9b s THR 21 Cb 0.10 -4.28 0.07 0.00 -1.51 0.00 0.00 72.50 66.89 1i9b s THR 21 CO 0.00 0.35 0.14 -1.10 -2.21 0.00 0.00 174.62 171.80 1i9b s GLN 22 N -0.32 2.37 3.45 7.08 -0.21 -1.24 -5.02 119.66 125.77 1i9b s GLN 22 Ca 0.46 -1.47 0.00 0.00 0.02 0.00 0.00 55.36 54.37 1i9b s GLN 22 Cb -0.25 -3.50 0.00 0.00 1.00 0.00 0.00 33.01 30.26 1i9b s GLN 22 CO 0.31 -0.85 0.00 0.54 -2.12 0.00 0.00 175.29 173.17 1i9b n ARG 23 N 4.72 0.00 0.00 2.91 3.00 -1.26 -1.97 116.66 124.05 1i9b n ARG 23 Ca -0.09 0.00 0.10 0.00 -0.01 0.00 0.00 57.85 57.85 1i9b n ARG 23 Cb 0.43 0.00 0.56 0.00 0.00 0.00 0.00 32.46 33.45 1i9b n ARG 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1i9b n ASP 24 N -2.52 0.00 -4.71 0.55 8.00 -1.26 -4.77 116.55 111.84 1i9b n ASP 24 Ca 0.00 -0.44 -0.42 0.00 0.71 0.00 0.00 54.79 54.64 1i9b n ASP 24 Cb 0.00 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 1i9b n ASP 24 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1i9b s ARG 25 N -2.17 4.28 0.86 -1.24 0.52 -0.83 -4.78 118.95 115.58 1i9b s ARG 25 Ca 0.27 2.14 -0.12 0.00 -0.52 0.00 0.00 55.73 57.50 1i9b s ARG 25 Cb 0.14 -3.31 0.11 0.00 0.52 0.00 0.00 34.95 32.40 1i9b s ARG 25 CO 0.25 -0.51 1.10 -2.14 0.02 0.00 0.00 175.30 174.01 1i9b s PRO 26 N 1.43 1.58 -0.14 3.54 0.02 -1.17 -3.69 135.00 136.56 1i9b s PRO 26 Ca 0.66 0.68 -0.20 0.00 0.02 0.00 0.00 61.00 62.17 1i9b s PRO 26 Cb -0.38 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 1i9b s PRO 26 CO 0.30 -1.98 0.56 0.08 -0.33 0.00 0.00 177.00 175.63 1i9b s VAL 27 N -3.07 5.11 -0.57 3.83 1.01 0.32 -4.81 120.40 122.23 1i9b s VAL 27 Ca 0.62 1.09 -0.23 0.00 0.00 0.00 0.00 61.98 63.45 1i9b s VAL 27 Cb -0.16 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.38 1i9b s VAL 27 CO 0.55 0.24 0.92 0.00 0.00 0.00 0.00 175.10 176.81 1i9b s ALA 28 N 1.14 3.17 -0.18 5.51 0.00 -1.26 -1.77 121.76 128.37 1i9b s ALA 28 Ca 0.28 -1.39 -0.05 0.00 0.00 0.00 0.00 51.96 50.80 1i9b s ALA 28 Cb -0.16 -3.73 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 1i9b s ALA 28 CO 0.11 -2.43 0.01 0.08 0.00 0.00 0.00 175.76 173.54 1i9b s VAL 29 N 3.87 4.20 -0.13 0.00 1.01 -0.20 -4.30 120.40 124.84 1i9b s VAL 29 Ca 0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 1i9b s VAL 29 Cb -0.14 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1i9b s VAL 29 CO 0.17 0.46 -0.03 -0.94 0.00 0.00 0.00 175.10 174.75 1i9b s SER 30 N 0.62 4.89 0.03 3.32 1.04 0.06 -1.63 113.70 122.02 1i9b s SER 30 Ca 0.00 -0.06 0.08 0.00 0.48 0.00 0.00 55.95 56.45 1i9b s SER 30 Cb -0.14 -1.65 -0.03 0.00 0.10 0.00 0.00 66.02 64.31 1i9b s SER 30 CO 0.02 0.23 -0.23 -0.69 0.98 0.00 0.00 173.24 173.56 1i9b s VAL 31 N -0.02 2.41 -0.26 5.02 1.01 -0.68 -1.53 120.40 126.34 1i9b s VAL 31 Ca 0.01 -1.25 -0.03 0.00 0.00 0.00 0.00 61.98 60.72 1i9b s VAL 31 Cb -0.13 -1.96 0.15 0.00 0.00 0.00 0.00 36.38 34.44 1i9b s VAL 31 CO 0.02 0.40 0.48 -0.55 0.00 0.00 0.00 175.10 175.45 1i9b s SER 32 N -1.20 -0.48 0.03 3.32 0.15 -0.44 -4.08 113.70 111.00 1i9b s SER 32 Ca 0.12 0.58 -0.21 0.00 0.70 0.00 0.00 55.95 57.14 1i9b s SER 32 Cb -0.10 1.59 -0.06 0.00 -1.71 0.00 0.00 66.02 65.74 1i9b s SER 32 CO 0.03 -0.28 0.63 -0.76 1.20 0.00 0.00 173.24 174.06 1i9b s LEU 33 N 2.69 4.46 -0.27 3.45 1.43 -1.26 -1.63 118.68 127.54 1i9b s LEU 33 Ca 0.14 1.26 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 1i9b s LEU 33 Cb -0.15 -2.99 0.07 0.00 0.03 0.00 0.00 46.19 43.15 1i9b s LEU 33 CO -0.18 0.13 -0.04 -0.54 0.23 0.00 0.00 176.35 175.95 1i9b s LYS 34 N -0.41 1.74 0.11 1.70 -0.14 -0.87 -4.93 119.74 116.94 1i9b s LYS 34 Ca 0.32 -1.29 -0.31 0.00 -1.36 0.00 0.00 55.97 53.33 1i9b s LYS 34 Cb -0.19 -2.77 -0.08 0.00 -1.68 0.00 0.00 37.83 33.11 1i9b s LYS 34 CO 0.19 -0.68 1.35 -0.06 -0.76 0.00 0.00 175.35 175.38 1i9b s PHE 35 N 1.21 3.28 -0.16 3.18 0.40 -1.26 -0.99 117.98 123.65 1i9b s PHE 35 Ca -0.02 1.04 0.13 0.00 -0.60 0.00 0.00 56.93 57.48 1i9b s PHE 35 Cb -0.19 -3.63 -0.19 0.00 0.51 0.00 0.00 43.02 39.52 1i9b s PHE 35 CO -0.07 -2.13 0.04 -0.89 0.70 0.00 0.00 175.22 172.86 1i9b n ILE 36 N 3.85 1.08 -3.55 0.64 2.08 -0.31 -3.39 119.36 119.76 1i9b n ILE 36 Ca 0.11 -0.65 -0.09 0.00 0.56 0.00 0.00 62.75 62.67 1i9b n ILE 36 Cb 0.43 -0.62 -0.03 0.00 -0.75 0.00 0.00 39.64 38.67 1i9b n ILE 36 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1i9b s ASN 37 N -4.98 -0.34 -0.23 4.38 3.84 -1.00 -0.18 114.94 116.43 1i9b s ASN 37 Ca -0.09 0.18 0.01 0.00 0.21 0.00 0.00 52.86 53.17 1i9b s ASN 37 Cb 0.05 0.32 0.05 0.00 -0.55 0.00 0.00 41.25 41.12 1i9b s ASN 37 CO 0.63 -0.45 -0.07 -0.63 -2.79 0.00 0.00 177.10 173.79 1i9b s ILE 38 N -2.14 1.64 -0.20 -5.21 1.01 -1.26 -0.55 121.20 114.49 1i9b s ILE 38 Ca 0.03 -1.21 -0.11 0.00 0.00 0.00 0.00 60.65 59.36 1i9b s ILE 38 Cb -0.01 -1.83 -0.20 0.00 0.01 0.00 0.00 42.46 40.43 1i9b s ILE 38 CO -0.04 -0.01 0.08 0.18 0.00 0.00 0.00 174.94 175.15 1i9b n LEU 39 N 4.65 2.35 -3.86 2.97 4.77 0.93 -4.48 117.00 124.33 1i9b n LEU 39 Ca -0.13 0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 1i9b n LEU 39 Cb 0.45 -0.98 -0.15 0.00 -2.33 0.00 0.00 43.42 40.40 1i9b n LEU 39 CO 0.19 0.65 -0.37 -1.61 -1.33 0.00 0.00 177.39 174.92 1i9b s GLU 40 N -2.49 0.13 0.04 3.23 2.02 -1.10 -4.97 118.70 115.57 1i9b s GLU 40 Ca -0.30 0.01 0.05 0.00 0.02 0.00 0.00 54.97 54.75 1i9b s GLU 40 Cb 0.08 -0.21 -0.02 0.00 0.10 0.00 0.00 34.13 34.08 1i9b s GLU 40 CO 0.64 -0.03 -0.15 0.08 0.02 0.00 0.00 175.26 175.81 1i9b s VAL 41 N 0.35 1.18 -0.27 2.63 1.01 -1.26 -1.12 120.40 122.91 1i9b s VAL 41 Ca -0.03 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 1i9b s VAL 41 Cb -0.05 -1.06 0.11 0.00 0.00 0.00 0.00 36.38 35.38 1i9b s VAL 41 CO -0.01 0.04 0.19 0.21 0.00 0.00 0.00 175.10 175.53 1i9b s ASN 42 N -1.12 2.58 0.45 3.32 3.84 -1.03 -5.00 114.94 117.99 1i9b s ASN 42 Ca 0.02 -0.92 0.25 0.00 0.21 0.00 0.00 52.86 52.42 1i9b s ASN 42 Cb -0.08 0.01 0.96 0.00 -0.55 0.00 0.00 41.25 41.59 1i9b s ASN 42 CO 0.01 -0.40 1.84 -0.08 -2.79 0.00 0.00 177.10 175.68 1i9b h GLU 43 N 8.36 0.00 -0.17 0.43 4.81 -1.88 0.43 114.58 126.56 1i9b h GLU 43 Ca -0.17 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 1i9b h GLU 43 Cb 1.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1i9b h GLU 43 CO 0.37 0.19 -0.22 0.82 -0.73 0.00 0.00 179.01 179.45 1i9b h ILE 44 N 0.00 1.34 -0.01 2.32 1.08 -1.97 -3.29 117.51 116.98 1i9b h ILE 44 Ca -0.00 -1.41 0.00 0.00 -0.39 0.00 0.00 64.86 63.06 1i9b h ILE 44 Cb 0.72 1.87 0.00 0.00 -3.07 0.00 0.00 36.82 36.34 1i9b h ILE 44 CO 0.03 0.42 -0.57 0.35 -0.69 0.00 0.00 178.15 177.69 1i9b n THR 45 N -4.46 0.00 -3.53 -0.27 -2.24 -1.15 -5.00 114.28 97.64 1i9b n THR 45 Ca -0.06 -0.15 -0.21 0.00 -2.27 0.00 0.00 64.05 61.36 1i9b n THR 45 Cb 0.41 0.97 0.06 0.00 -2.10 0.00 0.00 70.33 69.67 1i9b n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1i9b n ASN 46 N -0.60 -3.47 -4.05 3.42 5.03 0.15 -4.93 115.26 110.81 1i9b n ASN 46 Ca 0.08 -0.79 -0.21 0.00 0.87 0.00 0.00 54.58 54.53 1i9b n ASN 46 Cb 0.40 -4.45 -0.15 0.00 -1.02 0.00 0.00 39.78 34.56 1i9b n ASN 46 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1i9b s GLU 47 N -5.44 1.08 0.03 3.52 2.02 -1.09 -2.53 118.70 116.28 1i9b s GLU 47 Ca 0.20 -0.40 0.07 0.00 0.02 0.00 0.00 54.97 54.86 1i9b s GLU 47 Cb -0.04 -1.01 -0.02 0.00 0.10 0.00 0.00 34.13 33.15 1i9b s GLU 47 CO 0.79 0.19 -0.20 0.08 0.02 0.00 0.00 175.26 176.14 1i9b s VAL 48 N -0.03 1.60 -0.33 2.63 1.01 -0.23 -2.47 120.40 122.58 1i9b s VAL 48 Ca 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1i9b s VAL 48 Cb -0.07 -1.37 0.08 0.00 0.00 0.00 0.00 36.38 35.02 1i9b s VAL 48 CO 0.00 0.27 0.04 -0.62 0.00 0.00 0.00 175.10 174.79 1i9b s ASP 49 N -0.95 4.86 0.19 3.32 -1.08 -0.28 -0.54 116.67 122.19 1i9b s ASP 49 Ca 0.07 -1.76 0.07 0.00 -0.52 0.00 0.00 52.55 50.42 1i9b s ASP 49 Cb -0.08 -1.68 -0.04 0.00 -1.46 0.00 0.00 42.92 39.65 1i9b s ASP 49 CO 0.01 -0.35 -0.14 0.54 0.52 0.00 0.00 175.17 175.74 1i9b s VAL 50 N 1.09 1.64 -0.04 1.11 0.11 -0.87 -0.05 120.40 123.40 1i9b s VAL 50 Ca 0.02 -2.12 0.07 0.00 -2.93 0.00 0.00 61.98 57.03 1i9b s VAL 50 Cb -0.20 -1.95 -0.02 0.00 -1.53 0.00 0.00 36.38 32.68 1i9b s VAL 50 CO -0.05 -0.57 -0.25 -0.69 -3.33 0.00 0.00 175.10 170.21 1i9b s VAL 51 N -2.84 2.07 0.22 2.04 1.01 0.29 -1.04 120.40 122.16 1i9b s VAL 51 Ca 0.20 -1.08 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 1i9b s VAL 51 Cb -0.01 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.69 1i9b s VAL 51 CO 0.06 0.58 0.67 0.72 0.00 0.00 0.00 175.10 177.12 1i9b s PHE 52 N -0.43 -0.35 -0.35 5.22 -0.12 -0.10 -1.16 117.98 120.70 1i9b s PHE 52 Ca 0.04 0.01 -0.13 0.00 -0.05 0.00 0.00 56.93 56.81 1i9b s PHE 52 Cb -0.12 0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 42.90 1i9b s PHE 52 CO 0.01 -1.05 0.24 -1.58 -0.05 0.00 0.00 175.22 172.78 1i9b s TRP 53 N -3.83 3.23 -1.31 3.49 0.51 -0.16 -0.03 118.94 120.83 1i9b s TRP 53 Ca 0.06 -0.31 -0.12 0.00 -2.12 0.00 0.00 56.10 53.61 1i9b s TRP 53 Cb -0.04 -2.48 0.13 0.00 -0.81 0.00 0.00 33.47 30.28 1i9b s TRP 53 CO -0.02 -0.40 1.85 0.94 -0.51 0.00 0.00 176.95 178.80 1i9b n GLN 54 N 5.10 3.36 -1.74 4.98 7.27 -0.70 -2.05 117.38 133.61 1i9b n GLN 54 Ca -0.13 -3.37 -0.40 0.00 0.07 0.00 0.00 57.00 53.18 1i9b n GLN 54 Cb 0.49 -3.08 -0.03 0.00 2.41 0.00 0.00 30.24 30.03 1i9b n GLN 54 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1i9b s GLN 55 N 1.60 2.77 0.06 3.69 0.74 -0.65 -4.12 119.66 123.76 1i9b s GLN 55 Ca 0.43 1.49 0.07 0.00 0.05 0.00 0.00 55.36 57.40 1i9b s GLN 55 Cb 0.08 -4.40 -0.03 0.00 1.10 0.00 0.00 33.01 29.75 1i9b s GLN 55 CO -0.01 -2.52 -0.16 0.99 -0.55 0.00 0.00 175.29 173.04 1i9b s THR 56 N 9.36 2.97 -0.09 -0.34 2.01 0.16 -1.33 115.64 128.39 1i9b s THR 56 Ca 0.90 -1.20 -0.10 0.00 0.31 0.00 0.00 61.69 61.59 1i9b s THR 56 Cb -0.23 -2.29 0.03 0.00 0.01 0.00 0.00 72.50 70.02 1i9b s THR 56 CO 0.30 0.27 0.28 -0.89 -0.69 0.00 0.00 174.62 173.89 1i9b s THR 57 N -1.01 0.01 0.33 -0.82 2.01 -0.58 -1.54 115.64 114.04 1i9b s THR 57 Ca 0.16 -0.09 -0.18 0.00 0.31 0.00 0.00 61.69 61.89 1i9b s THR 57 Cb -0.11 -0.42 0.06 0.00 0.01 0.00 0.00 72.50 72.04 1i9b s THR 57 CO 0.07 -0.05 0.85 -1.66 -0.69 0.00 0.00 174.62 173.14 1i9b s TRP 58 N -0.10 0.09 -0.06 4.92 -2.14 -0.96 -0.76 118.94 119.92 1i9b s TRP 58 Ca -0.02 -0.68 0.03 0.00 2.66 0.00 0.00 56.10 58.09 1i9b s TRP 58 Cb -0.03 0.80 0.00 0.00 -3.10 0.00 0.00 33.47 31.14 1i9b s TRP 58 CO 0.01 -1.38 -0.17 0.45 -2.66 0.00 0.00 176.95 173.20 1i9b s SER 59 N -3.14 2.20 -0.36 -2.66 0.15 -1.26 -0.74 113.70 107.89 1i9b s SER 59 Ca 0.17 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.45 1i9b s SER 59 Cb -0.04 -0.87 0.11 0.00 -1.71 0.00 0.00 66.02 63.51 1i9b s SER 59 CO 0.09 0.10 0.14 -0.62 1.20 0.00 0.00 173.24 174.16 1i9b s ASP 60 N 0.36 3.94 0.55 5.45 -1.08 0.16 -4.87 116.67 121.19 1i9b s ASP 60 Ca -0.12 -2.03 0.37 0.00 -0.52 0.00 0.00 52.55 50.25 1i9b s ASP 60 Cb -0.15 -0.98 1.82 0.00 -1.46 0.00 0.00 42.92 42.15 1i9b s ASP 60 CO 0.04 -0.36 2.11 0.03 0.52 0.00 0.00 175.17 177.51 1i9b h ARG 61 N 7.56 0.00 0.00 4.34 3.08 -1.85 -2.34 114.38 125.17 1i9b h ARG 61 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1i9b h ARG 61 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1i9b h ARG 61 CO 0.47 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.62 1i9b n THR 62 N -2.91 0.49 0.81 2.04 -2.24 -1.26 -1.98 114.28 109.23 1i9b n THR 62 Ca -0.01 0.12 0.10 0.00 -2.27 0.00 0.00 64.05 62.00 1i9b n THR 62 Cb 0.16 -0.80 -0.08 0.00 -2.10 0.00 0.00 70.33 67.51 1i9b n THR 62 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1i9b n LEU 63 N -1.36 0.78 -4.75 3.22 4.77 -0.88 -4.97 117.00 113.80 1i9b n LEU 63 Ca 0.08 -0.34 -0.38 0.00 -0.03 0.00 0.00 56.01 55.34 1i9b n LEU 63 Cb 0.18 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1i9b n LEU 63 CO 0.16 0.18 0.96 0.00 -1.33 0.00 0.00 177.39 177.36 1i9b s ALA 64 N -3.09 2.86 0.00 -1.18 0.00 -0.84 -4.66 121.76 114.85 1i9b s ALA 64 Ca 0.05 1.26 -0.18 0.00 0.00 0.00 0.00 51.96 53.09 1i9b s ALA 64 Cb 0.16 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.78 1i9b s ALA 64 CO 0.86 -1.23 0.39 1.67 0.00 0.00 0.00 175.76 177.45 1i9b s TRP 65 N -1.35 -0.27 -0.17 0.00 -2.14 -0.18 -4.95 118.94 109.88 1i9b s TRP 65 Ca 0.70 0.36 -0.29 0.00 2.66 0.00 0.00 56.10 59.52 1i9b s TRP 65 Cb -0.38 0.18 -0.01 0.00 -3.10 0.00 0.00 33.47 30.16 1i9b s TRP 65 CO 0.45 -0.49 1.20 1.21 -2.66 0.00 0.00 176.95 176.67 1i9b s ASN 66 N -1.57 7.00 -0.09 -2.66 2.47 -1.26 -4.61 114.94 114.22 1i9b s ASN 66 Ca -0.10 1.63 0.14 0.00 0.42 0.00 0.00 52.86 54.96 1i9b s ASN 66 Cb -0.03 -2.54 0.48 0.00 -1.45 0.00 0.00 41.25 37.71 1i9b s ASN 66 CO 0.03 -0.72 1.40 -1.54 -3.72 0.00 0.00 177.10 172.55 1i9b n SER 67 N 6.37 3.67 -0.09 -4.21 3.41 -1.26 -4.70 113.62 116.80 1i9b n SER 67 Ca 0.13 -2.45 -0.11 0.00 -0.26 0.00 0.00 58.87 56.17 1i9b n SER 67 Cb 0.45 -0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 1i9b n SER 67 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1i9b h SER 68 N 2.41 -1.50 -1.95 4.04 4.64 -1.92 -0.29 113.55 118.98 1i9b h SER 68 Ca 0.00 0.21 -0.70 0.00 -0.47 0.00 0.00 61.79 60.83 1i9b h SER 68 Cb 1.14 0.63 -0.33 0.00 -0.31 0.00 0.00 62.40 63.53 1i9b h SER 68 CO 0.13 -0.40 0.31 1.41 -0.87 0.00 0.00 176.83 177.41 1i9b n HIS 69 N -5.42 3.22 -3.69 4.77 8.25 -1.26 -4.97 115.22 116.13 1i9b n HIS 69 Ca -0.02 -2.83 -0.05 0.00 -0.26 0.00 0.00 57.72 54.56 1i9b n HIS 69 Cb 0.36 -0.77 -0.02 0.00 1.12 0.00 0.00 29.99 30.68 1i9b n HIS 69 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1i9b s SER 70 N -2.17 -0.23 0.46 0.41 0.01 -0.12 -4.22 113.70 107.85 1i9b s SER 70 Ca 0.48 -0.30 -0.25 0.00 1.31 0.00 0.00 55.95 57.20 1i9b s SER 70 Cb 0.36 0.46 -0.08 0.00 0.21 0.00 0.00 66.02 66.97 1i9b s SER 70 CO -0.26 -0.83 1.43 -2.84 0.41 0.00 0.00 173.24 171.15 1i9b s PRO 71 N -3.24 3.61 0.13 12.44 0.02 -1.26 -4.69 135.00 142.00 1i9b s PRO 71 Ca 0.10 2.42 0.14 0.00 0.02 0.00 0.00 61.00 63.69 1i9b s PRO 71 Cb -0.01 -2.61 -0.10 0.00 0.02 0.00 0.00 34.50 31.80 1i9b s PRO 71 CO -0.01 -0.88 1.07 -0.44 -0.33 0.00 0.00 177.00 176.41 1i9b h ASP 72 N 2.21 0.00 -4.63 2.53 3.32 -1.94 -3.44 116.42 114.47 1i9b h ASP 72 Ca -0.51 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.27 1i9b h ASP 72 Cb 1.27 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.64 1i9b h ASP 72 CO 0.61 0.67 -0.72 -1.10 -1.72 0.00 0.00 179.24 176.98 1i9b s GLN 73 N -2.86 0.70 0.05 3.56 -0.21 -1.26 0.18 119.66 119.83 1i9b s GLN 73 Ca -0.00 -1.04 -0.12 0.00 0.02 0.00 0.00 55.36 54.22 1i9b s GLN 73 Cb 0.08 -0.33 0.01 0.00 1.00 0.00 0.00 33.01 33.78 1i9b s GLN 73 CO 0.79 0.04 0.26 0.14 -2.12 0.00 0.00 175.29 174.40 1i9b s VAL 74 N -2.36 0.10 -0.26 1.09 -7.23 -0.68 -4.98 120.40 106.08 1i9b s VAL 74 Ca 0.01 -0.82 -0.15 0.00 -1.81 0.00 0.00 61.98 59.21 1i9b s VAL 74 Cb -0.03 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 1i9b s VAL 74 CO -0.01 -0.45 0.36 -0.44 -0.31 0.00 0.00 175.10 174.25 1i9b s SER 75 N -2.25 6.26 -0.06 4.85 0.01 -1.26 -0.84 113.70 120.41 1i9b s SER 75 Ca -0.03 0.29 0.04 0.00 1.31 0.00 0.00 55.95 57.56 1i9b s SER 75 Cb 0.00 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 64.00 1i9b s SER 75 CO -0.05 -0.16 -0.17 -0.69 0.41 0.00 0.00 173.24 172.57 1i9b s VAL 76 N 1.97 2.79 0.31 3.43 1.01 0.25 -4.91 120.40 125.25 1i9b s VAL 76 Ca 0.15 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1i9b s VAL 76 Cb -0.16 -2.08 -0.10 0.00 0.00 0.00 0.00 36.38 34.04 1i9b s VAL 76 CO 0.10 0.58 1.34 -2.84 0.00 0.00 0.00 175.10 174.27 1i9b s PRO 77 N -0.48 4.33 0.43 2.72 0.02 -1.26 0.33 135.00 141.09 1i9b s PRO 77 Ca 0.06 2.23 0.20 0.00 0.02 0.00 0.00 61.00 63.51 1i9b s PRO 77 Cb -0.12 -3.08 1.14 0.00 0.02 0.00 0.00 34.50 32.46 1i9b s PRO 77 CO 0.01 -0.25 1.84 0.82 -0.33 0.00 0.00 177.00 179.09 1i9b h ILE 78 N 3.18 0.62 0.00 2.83 1.08 -1.51 -0.52 117.51 123.19 1i9b h ILE 78 Ca -0.48 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.87 1i9b h ILE 78 Cb 1.22 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 1i9b h ILE 78 CO 0.69 0.06 0.00 -1.54 -0.69 0.00 0.00 178.15 176.67 1i9b n SER 79 N -4.50 0.44 -0.90 1.72 3.41 -1.26 -2.42 113.62 110.10 1i9b n SER 79 Ca 0.21 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.56 1i9b n SER 79 Cb 0.78 -0.72 0.10 0.00 -0.26 0.00 0.00 64.21 64.12 1i9b n SER 79 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1i9b n SER 80 N -2.01 2.89 -4.44 4.04 7.64 -0.21 -4.82 113.62 116.71 1i9b n SER 80 Ca 0.02 -1.93 -0.22 0.00 1.01 0.00 0.00 58.87 57.75 1i9b n SER 80 Cb 0.16 -0.02 -0.10 0.00 -1.01 0.00 0.00 64.21 63.24 1i9b n SER 80 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1i9b s LEU 81 N -1.81 2.55 0.18 -3.43 1.43 -1.02 -4.57 118.68 112.02 1i9b s LEU 81 Ca 0.27 -1.16 -0.24 0.00 -1.03 0.00 0.00 54.13 51.97 1i9b s LEU 81 Cb 0.19 -0.76 -0.08 0.00 0.03 0.00 0.00 46.19 45.57 1i9b s LEU 81 CO 0.28 -0.26 0.78 0.86 0.23 0.00 0.00 176.35 178.24 1i9b s TRP 82 N -2.88 3.85 0.02 0.29 -0.00 -1.26 -4.40 118.94 114.56 1i9b s TRP 82 Ca 0.29 1.60 0.03 0.00 -0.00 0.00 0.00 56.10 58.02 1i9b s TRP 82 Cb 0.02 -2.75 -0.01 0.00 -0.00 0.00 0.00 33.47 30.73 1i9b s TRP 82 CO 0.12 0.47 -0.08 0.08 -0.00 0.00 0.00 176.95 177.54 1i9b s VAL 83 N -1.24 0.65 0.21 5.86 1.01 -1.26 -5.03 120.40 120.60 1i9b s VAL 83 Ca 0.38 -0.63 -0.32 0.00 0.00 0.00 0.00 61.98 61.40 1i9b s VAL 83 Cb -0.22 -0.60 -0.13 0.00 0.00 0.00 0.00 36.38 35.43 1i9b s VAL 83 CO 0.25 -0.02 1.54 -2.65 0.00 0.00 0.00 175.10 174.22 1i9b n PRO 84 N 2.34 2.27 -1.41 2.72 -0.02 -1.26 -4.86 135.00 134.78 1i9b n PRO 84 Ca -0.17 0.81 -0.29 0.00 -2.02 0.00 0.00 63.50 61.84 1i9b n PRO 84 Cb 0.56 -2.56 -0.07 0.00 -0.02 0.00 0.00 33.50 31.42 1i9b n PRO 84 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1i9b n ASP 85 N 2.85 7.12 -4.76 2.55 5.75 -1.26 -4.95 116.55 123.84 1i9b n ASP 85 Ca 0.14 -2.80 -0.35 0.00 -0.01 0.00 0.00 54.79 51.76 1i9b n ASP 85 Cb 0.32 -1.41 0.03 0.00 -1.03 0.00 0.00 41.12 39.03 1i9b n ASP 85 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1i9b s LEU 86 N -0.88 3.62 -0.14 -2.12 1.43 -1.26 -1.62 118.68 117.70 1i9b s LEU 86 Ca 0.63 2.20 -0.13 0.00 -1.03 0.00 0.00 54.13 55.81 1i9b s LEU 86 Cb 0.26 -4.58 0.04 0.00 0.03 0.00 0.00 46.19 41.94 1i9b s LEU 86 CO -0.09 -1.48 0.38 0.00 0.23 0.00 0.00 176.35 175.39 1i9b s ALA 87 N -1.87 -0.93 -0.50 4.21 0.00 -0.84 -4.86 121.76 116.97 1i9b s ALA 87 Ca 0.73 1.09 -0.24 0.00 0.00 0.00 0.00 51.96 53.54 1i9b s ALA 87 Cb -0.25 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.26 1i9b s ALA 87 CO 0.33 -0.18 0.88 0.00 0.00 0.00 0.00 175.76 176.79 1i9b s ALA 88 N 0.30 3.22 0.40 0.00 0.00 -1.26 -2.25 121.76 122.17 1i9b s ALA 88 Ca -0.01 -1.10 0.20 0.00 0.00 0.00 0.00 51.96 51.05 1i9b s ALA 88 Cb -0.03 -3.63 1.14 0.00 0.00 0.00 0.00 23.12 20.61 1i9b s ALA 88 CO -0.01 -2.17 1.74 1.88 0.00 0.00 0.00 175.76 177.21 1i9b h TYR 89 N 9.16 0.66 -0.44 0.00 0.05 -0.71 -0.99 116.97 124.69 1i9b h TYR 89 Ca -0.25 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.45 1i9b h TYR 89 Cb 1.08 -0.19 -0.06 0.00 1.01 0.00 0.00 36.73 38.57 1i9b h TYR 89 CO 0.86 0.01 0.07 0.27 -1.05 0.00 0.00 178.16 178.32 1i9b n ASN 90 N -4.66 4.01 -4.74 3.88 6.94 -1.26 -4.98 115.26 114.45 1i9b n ASN 90 Ca 0.27 -3.22 -0.41 0.00 -0.02 0.00 0.00 54.58 51.20 1i9b n ASN 90 Cb 0.96 -0.63 -0.03 0.00 -2.36 0.00 0.00 39.78 37.72 1i9b n ASN 90 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i9b s ALA 91 N -2.96 3.47 -1.00 -2.53 0.00 -0.38 -1.28 121.76 117.08 1i9b s ALA 91 Ca 0.47 1.04 0.19 0.00 0.00 0.00 0.00 51.96 53.66 1i9b s ALA 91 Cb 0.39 -3.43 -0.19 0.00 0.00 0.00 0.00 23.12 19.88 1i9b s ALA 91 CO 0.09 -0.44 0.84 -0.89 0.00 0.00 0.00 175.76 175.37 1i9b n ILE 92 N 2.19 0.00 -4.09 0.00 5.41 0.28 -4.87 119.36 118.28 1i9b n ILE 92 Ca 0.04 -0.06 -0.10 0.00 1.00 0.00 0.00 62.75 63.63 1i9b n ILE 92 Cb 0.44 1.02 -0.09 0.00 -0.71 0.00 0.00 39.64 40.30 1i9b n ILE 92 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1i9b s SER 93 N -2.79 0.19 0.61 4.38 1.04 -1.21 -4.95 113.70 110.98 1i9b s SER 93 Ca 0.08 -1.12 -0.09 0.00 0.48 0.00 0.00 55.95 55.30 1i9b s SER 93 Cb 0.15 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 1i9b s SER 93 CO 0.77 -0.81 0.98 -1.59 0.98 0.00 0.00 173.24 173.57 1i9b s LYS 94 N -4.04 3.30 0.13 4.02 -2.85 -1.26 -4.61 119.74 114.43 1i9b s LYS 94 Ca 0.24 0.46 -0.31 0.00 -1.00 0.00 0.00 55.97 55.35 1i9b s LYS 94 Cb 0.06 -2.15 -0.09 0.00 -2.06 0.00 0.00 37.83 33.59 1i9b s LYS 94 CO 0.03 -0.63 1.51 -2.14 0.10 0.00 0.00 175.35 174.21 1i9b s PRO 95 N -5.11 4.25 -0.67 1.78 0.02 -1.26 -4.80 135.00 129.21 1i9b s PRO 95 Ca 0.54 2.24 -0.13 0.00 0.02 0.00 0.00 61.00 63.67 1i9b s PRO 95 Cb -0.11 -3.25 0.17 0.00 0.02 0.00 0.00 34.50 31.34 1i9b s PRO 95 CO 0.50 -0.56 0.60 -2.00 -0.33 0.00 0.00 177.00 175.22 1i9b s GLU 96 N 1.32 3.19 -0.21 5.54 2.12 -0.83 -4.98 118.70 124.84 1i9b s GLU 96 Ca 0.68 -2.12 -0.29 0.00 0.36 0.00 0.00 54.97 53.60 1i9b s GLU 96 Cb -0.40 -4.28 -0.02 0.00 0.26 0.00 0.00 34.13 29.68 1i9b s GLU 96 CO 0.31 -1.29 1.52 0.08 -0.54 0.00 0.00 175.26 175.34 1i9b s VAL 97 N 0.80 3.84 -0.97 3.70 1.01 -1.26 -2.29 120.40 125.22 1i9b s VAL 97 Ca 0.11 0.96 0.25 0.00 0.00 0.00 0.00 61.98 63.30 1i9b s VAL 97 Cb -0.20 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.41 1i9b s VAL 97 CO -0.03 -0.29 1.46 0.18 0.00 0.00 0.00 175.10 176.42 1i9b n LEU 98 N 7.95 0.46 -4.52 3.92 4.77 0.24 -4.95 117.00 124.88 1i9b n LEU 98 Ca 0.17 0.07 -0.25 0.00 -0.03 0.00 0.00 56.01 55.97 1i9b n LEU 98 Cb 0.45 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 1i9b n LEU 98 CO 0.63 0.10 -0.42 0.42 -1.33 0.00 0.00 177.39 176.79 1i9b s THR 99 N -3.01 2.33 0.22 -5.08 -4.23 -1.26 -4.97 115.64 99.64 1i9b s THR 99 Ca 0.11 -2.28 -0.31 0.00 -1.18 0.00 0.00 61.69 58.03 1i9b s THR 99 Cb 0.17 -2.52 -0.14 0.00 1.34 0.00 0.00 72.50 71.35 1i9b s THR 99 CO 0.68 -0.27 1.25 -2.65 -0.54 0.00 0.00 174.62 173.09 1i9b n PRO 100 N -0.73 1.58 -1.95 3.99 -0.02 -1.26 -4.83 135.00 131.79 1i9b n PRO 100 Ca -0.05 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 1i9b n PRO 100 Cb 0.62 -2.11 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 1i9b n PRO 100 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1i9b n GLN 101 N 1.70 3.99 -4.53 -0.52 6.02 -1.26 -4.90 117.38 117.88 1i9b n GLN 101 Ca 0.13 -3.17 -0.31 0.00 -0.01 0.00 0.00 57.00 53.63 1i9b n GLN 101 Cb 0.29 -2.81 -0.12 0.00 1.02 0.00 0.00 30.24 28.62 1i9b n GLN 101 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1i9b s LEU 102 N -0.73 2.80 0.38 1.08 1.43 -1.26 -1.26 118.68 121.12 1i9b s LEU 102 Ca 0.52 -0.36 0.08 0.00 -1.03 0.00 0.00 54.13 53.34 1i9b s LEU 102 Cb 0.15 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 1i9b s LEU 102 CO -0.06 0.25 0.10 0.00 0.23 0.00 0.00 176.35 176.87 1i9b s ALA 103 N -0.99 3.40 -0.15 4.21 0.00 0.15 -4.71 121.76 123.67 1i9b s ALA 103 Ca 0.16 -2.03 -0.00 0.00 0.00 0.00 0.00 51.96 50.09 1i9b s ALA 103 Cb -0.11 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 1i9b s ALA 103 CO 0.07 -0.05 -0.13 0.50 0.00 0.00 0.00 175.76 176.15 1i9b s ARG 104 N -3.81 3.31 -0.15 0.00 6.06 -0.05 -0.58 118.95 123.72 1i9b s ARG 104 Ca 0.38 -0.71 0.01 0.00 -2.50 0.00 0.00 55.73 52.91 1i9b s ARG 104 Cb 0.02 -2.68 0.00 0.00 0.06 0.00 0.00 34.95 32.35 1i9b s ARG 104 CO 0.21 0.07 -0.17 0.08 -2.50 0.00 0.00 175.30 172.99 1i9b s VAL 105 N 0.70 2.47 0.03 7.11 1.01 -0.02 -1.02 120.40 130.68 1i9b s VAL 105 Ca -0.06 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 1i9b s VAL 105 Cb -0.15 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.14 1i9b s VAL 105 CO 0.02 0.52 0.44 -0.69 0.00 0.00 0.00 175.10 175.39 1i9b s VAL 106 N 0.85 4.99 0.63 2.92 1.01 -0.32 -1.69 120.40 128.78 1i9b s VAL 106 Ca -0.05 0.84 0.20 0.00 0.00 0.00 0.00 61.98 62.97 1i9b s VAL 106 Cb -0.15 -3.73 0.26 0.00 0.00 0.00 0.00 36.38 32.76 1i9b s VAL 106 CO -0.01 0.52 1.44 0.77 0.00 0.00 0.00 175.10 177.82 1i9b h SER 107 N 4.48 0.00 -0.26 3.32 4.64 0.15 0.18 113.55 126.07 1i9b h SER 107 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1i9b h SER 107 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1i9b h SER 107 CO 0.62 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 1i9b n ASP 108 N -3.06 1.51 0.00 4.97 5.75 -1.26 -1.01 116.55 123.45 1i9b n ASP 108 Ca 0.09 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 1i9b n ASP 108 Cb 1.01 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.93 1i9b n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i9b n GLY 109 N 0.99 0.75 3.73 6.12 0.00 0.63 -4.73 105.19 112.68 1i9b n GLY 109 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1i9b n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i9b s GLU 110 N -0.52 4.71 -0.07 1.61 2.56 -1.20 0.37 118.70 126.16 1i9b s GLU 110 Ca 0.00 1.47 0.05 0.00 0.00 0.00 0.00 54.97 56.50 1i9b s GLU 110 Cb 0.00 -3.36 -0.01 0.00 2.00 0.00 0.00 34.13 32.76 1i9b s GLU 110 CO 0.00 0.23 -0.25 0.08 -0.56 0.00 0.00 175.26 174.77 1i9b s VAL 111 N -0.14 2.07 -0.16 3.70 1.01 0.08 -1.18 120.40 125.79 1i9b s VAL 111 Ca 0.46 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 1i9b s VAL 111 Cb -0.24 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.42 1i9b s VAL 111 CO 0.30 0.57 -0.08 -0.76 0.00 0.00 0.00 175.10 175.13 1i9b s LEU 112 N 0.03 1.66 -0.18 3.92 2.01 -0.19 -2.25 118.68 123.68 1i9b s LEU 112 Ca -0.09 -0.62 0.00 0.00 0.01 0.00 0.00 54.13 53.44 1i9b s LEU 112 Cb -0.15 -0.99 0.04 0.00 0.01 0.00 0.00 46.19 45.09 1i9b s LEU 112 CO 0.06 -0.15 -0.11 -0.47 1.01 0.00 0.00 176.35 176.69 1i9b s TYR 113 N 1.59 2.23 -0.52 0.29 5.04 -0.59 -0.87 117.35 124.51 1i9b s TYR 113 Ca 0.02 -1.39 0.04 0.00 -2.44 0.00 0.00 57.07 53.30 1i9b s TYR 113 Cb -0.15 -1.58 0.16 0.00 0.35 0.00 0.00 41.96 40.75 1i9b s TYR 113 CO -0.08 -0.70 0.38 1.41 -1.34 0.00 0.00 175.55 175.22 1i9b s MET 114 N 1.46 1.53 0.38 4.97 -2.45 -1.26 -0.66 119.30 123.27 1i9b s MET 114 Ca 0.01 -2.53 -0.15 0.00 -1.25 0.00 0.00 55.69 51.77 1i9b s MET 114 Cb -0.15 -2.30 -0.09 0.00 1.25 0.00 0.00 34.83 33.55 1i9b s MET 114 CO -0.09 -1.31 0.80 -1.25 1.05 0.00 0.00 175.02 174.22 1i9b s PRO 115 N -0.43 3.98 -0.25 4.11 0.04 -1.26 -4.79 135.00 136.39 1i9b s PRO 115 Ca 0.27 0.72 -0.17 0.00 0.04 0.00 0.00 61.00 61.86 1i9b s PRO 115 Cb -0.04 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 1i9b s PRO 115 CO -0.15 0.04 0.48 0.45 0.04 0.00 0.00 177.00 177.86 1i9b s SER 116 N -2.54 6.41 -0.07 6.66 0.15 -1.26 -1.71 113.70 121.34 1i9b s SER 116 Ca 0.55 0.49 0.05 0.00 0.70 0.00 0.00 55.95 57.74 1i9b s SER 116 Cb -0.10 -2.26 -0.02 0.00 -1.71 0.00 0.00 66.02 61.93 1i9b s SER 116 CO 0.21 -0.24 -0.21 -0.63 1.20 0.00 0.00 173.24 173.58 1i9b s ILE 117 N 2.12 2.46 -0.16 6.45 1.01 0.95 -0.59 121.20 133.45 1i9b s ILE 117 Ca 0.20 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.89 1i9b s ILE 117 Cb -0.16 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 1i9b s ILE 117 CO 0.09 0.57 -0.02 -0.60 0.00 0.00 0.00 174.94 174.98 1i9b s ARG 118 N -0.24 3.72 -0.03 2.79 3.52 -0.97 -0.92 118.95 126.82 1i9b s ARG 118 Ca -0.00 -0.49 -0.30 0.00 -0.13 0.00 0.00 55.73 54.81 1i9b s ARG 118 Cb -0.13 -2.96 0.07 0.00 -1.56 0.00 0.00 34.95 30.37 1i9b s ARG 118 CO 0.03 0.25 0.68 -1.14 -0.81 0.00 0.00 175.30 174.31 1i9b s GLN 119 N 0.36 1.07 0.01 5.12 0.74 -0.20 -1.97 119.66 124.78 1i9b s GLN 119 Ca -0.03 0.17 -0.05 0.00 0.05 0.00 0.00 55.36 55.50 1i9b s GLN 119 Cb -0.14 0.50 -0.05 0.00 1.10 0.00 0.00 33.01 34.43 1i9b s GLN 119 CO 0.02 -0.35 0.24 1.03 -0.55 0.00 0.00 175.29 175.69 1i9b s ARG 120 N -1.49 3.53 0.11 1.67 0.52 -1.26 -2.04 118.95 119.99 1i9b s ARG 120 Ca -0.09 -0.16 0.03 0.00 -0.52 0.00 0.00 55.73 54.99 1i9b s ARG 120 Cb -0.00 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 32.35 1i9b s ARG 120 CO 0.07 0.65 -0.09 -0.06 0.02 0.00 0.00 175.30 175.89 1i9b s PHE 121 N -1.32 1.04 -0.36 -0.53 0.40 0.30 1.00 117.98 118.51 1i9b s PHE 121 Ca 0.28 -0.76 -0.09 0.00 -0.60 0.00 0.00 56.93 55.75 1i9b s PHE 121 Cb -0.13 -0.57 0.04 0.00 0.51 0.00 0.00 43.02 42.87 1i9b s PHE 121 CO 0.17 -0.03 0.17 0.45 0.70 0.00 0.00 175.22 176.67 1i9b s SER 122 N -2.80 5.56 0.31 1.36 0.15 -0.41 -1.06 113.70 116.81 1i9b s SER 122 Ca 0.10 -1.09 -0.07 0.00 0.70 0.00 0.00 55.95 55.59 1i9b s SER 122 Cb 0.01 -1.96 0.03 0.00 -1.71 0.00 0.00 66.02 62.39 1i9b s SER 122 CO -0.01 -0.37 0.53 0.00 1.20 0.00 0.00 173.24 174.59 1i9b s ASP 124 N -2.74 6.23 -0.01 0.00 -1.08 -1.26 -4.46 116.67 113.36 1i9b s ASP 124 Ca 0.18 0.63 0.21 0.00 -0.52 0.00 0.00 52.55 53.05 1i9b s ASP 124 Cb -0.03 -2.54 -0.24 0.00 -1.46 0.00 0.00 42.92 38.66 1i9b s ASP 124 CO 0.13 -1.56 0.55 0.52 0.52 0.00 0.00 175.17 175.34 1i9b n VAL 125 N 7.02 0.52 -1.61 1.11 0.31 -1.26 -3.71 118.33 120.70 1i9b n VAL 125 Ca 0.15 -0.60 -0.53 0.00 -0.01 0.00 0.00 64.34 63.35 1i9b n VAL 125 Cb 0.49 -0.24 -0.06 0.00 -0.91 0.00 0.00 33.84 33.11 1i9b n VAL 125 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1i9b n SER 126 N -2.51 1.70 0.00 4.52 3.41 -1.26 -1.38 113.62 118.10 1i9b n SER 126 Ca -0.09 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 1i9b n SER 126 Cb 0.71 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1i9b n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i9b n GLY 127 N 2.78 0.34 0.25 5.00 0.00 -1.26 -4.29 105.19 108.00 1i9b n GLY 127 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 1i9b n GLY 127 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1i9b h VAL 128 N 0.00 0.37 -1.92 1.61 2.07 -1.45 -1.53 116.25 115.40 1i9b h VAL 128 Ca 0.00 -0.01 -0.78 0.00 0.82 0.00 0.00 66.70 66.73 1i9b h VAL 128 Cb 0.00 0.33 -0.21 0.00 -1.52 0.00 0.00 31.29 29.89 1i9b h VAL 128 CO 0.00 0.01 1.57 -0.67 0.02 0.00 0.00 177.57 178.50 1i9b n ASP 129 N -5.39 6.80 -3.91 0.57 -0.08 -1.26 -0.10 116.55 113.16 1i9b n ASP 129 Ca 0.09 -3.34 -0.09 0.00 -1.51 0.00 0.00 54.79 49.94 1i9b n ASP 129 Cb 0.37 -1.32 -0.08 0.00 2.34 0.00 0.00 41.12 42.44 1i9b n ASP 129 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1i9b s THR 130 N -2.03 0.13 0.15 5.18 2.01 -0.59 -4.99 115.64 115.50 1i9b s THR 130 Ca 0.41 -1.31 -0.12 0.00 0.31 0.00 0.00 61.69 60.98 1i9b s THR 130 Cb 0.13 -1.50 -0.00 0.00 0.01 0.00 0.00 72.50 71.14 1i9b s THR 130 CO -0.03 -0.59 1.55 -0.33 -0.69 0.00 0.00 174.62 174.53 1i9b h GLU 131 N 2.74 0.91 0.00 4.92 4.39 -1.90 -2.31 114.58 123.33 1i9b h GLU 131 Ca -0.34 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.01 1i9b h GLU 131 Cb 1.20 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1i9b h GLU 131 CO 0.55 1.01 -0.02 -1.13 -1.16 0.00 0.00 179.01 178.27 1i9b n SER 132 N -4.22 0.74 -0.47 1.42 3.41 -1.26 -5.01 113.62 108.23 1i9b n SER 132 Ca -0.00 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1i9b n SER 132 Cb 0.40 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1i9b n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i9b n GLY 133 N 1.33 -0.04 3.83 5.00 0.00 -0.87 -4.84 105.19 109.59 1i9b n GLY 133 Ca 0.06 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 1i9b n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i9b s ALA 134 N -1.85 3.63 -0.29 4.61 0.00 0.53 -4.49 121.76 123.91 1i9b s ALA 134 Ca 0.00 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.49 1i9b s ALA 134 Cb 0.00 -1.26 0.09 0.00 0.00 0.00 0.00 23.12 21.94 1i9b s ALA 134 CO 0.00 0.20 0.04 0.99 0.00 0.00 0.00 175.76 176.99 1i9b s THR 135 N -2.17 1.36 -0.31 0.00 2.01 -1.25 -1.47 115.64 113.81 1i9b s THR 135 Ca 0.35 -1.53 -0.13 0.00 0.31 0.00 0.00 61.69 60.68 1i9b s THR 135 Cb -0.07 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1i9b s THR 135 CO 0.25 -0.48 0.26 0.00 -0.69 0.00 0.00 174.62 173.96 1i9b s ARG 137 N 1.83 3.92 -0.16 0.00 0.52 -1.26 0.53 118.95 124.33 1i9b s ARG 137 Ca 0.09 -0.24 0.01 0.00 -0.52 0.00 0.00 55.73 55.06 1i9b s ARG 137 Cb -0.16 -3.29 0.02 0.00 0.52 0.00 0.00 34.95 32.04 1i9b s ARG 137 CO 0.11 0.42 -0.16 0.42 0.02 0.00 0.00 175.30 176.10 1i9b s ILE 138 N -0.01 1.74 -0.21 1.52 1.01 0.44 -4.84 121.20 120.86 1i9b s ILE 138 Ca 0.09 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 1i9b s ILE 138 Cb -0.12 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1i9b s ILE 138 CO 0.00 0.49 0.04 -0.54 0.00 0.00 0.00 174.94 174.93 1i9b s LYS 139 N 1.40 3.72 -0.04 2.79 1.02 -1.26 -1.03 119.74 126.34 1i9b s LYS 139 Ca 0.05 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 55.59 1i9b s LYS 139 Cb -0.13 -3.19 0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1i9b s LYS 139 CO -0.11 0.01 -0.07 0.96 -0.92 0.00 0.00 175.35 175.22 1i9b s ILE 140 N 1.04 0.66 0.32 2.17 -4.36 -0.85 0.10 121.20 120.28 1i9b s ILE 140 Ca 0.03 -0.25 -0.17 0.00 -0.26 0.00 0.00 60.65 60.00 1i9b s ILE 140 Cb -0.14 -0.63 0.03 0.00 1.25 0.00 0.00 42.46 42.97 1i9b s ILE 140 CO 0.02 0.23 0.71 -0.83 0.24 0.00 0.00 174.94 175.32 1i9b s GLY 141 N 0.54 0.23 0.42 6.27 0.00 -0.95 -1.78 107.32 112.05 1i9b s GLY 141 Ca -0.08 -0.60 -0.25 0.00 0.00 0.00 0.00 44.72 43.79 1i9b s GLY 141 CO 0.01 -0.27 1.22 -1.26 0.00 0.00 0.00 173.10 172.79 1i9b n SER 142 N -0.88 2.29 -0.00 1.64 2.88 -1.26 -1.99 113.62 116.29 1i9b n SER 142 Ca -0.05 1.09 -0.11 0.00 -1.33 0.00 0.00 58.87 58.46 1i9b n SER 142 Cb 0.60 -1.47 -0.14 0.00 -0.75 0.00 0.00 64.21 62.45 1i9b n SER 142 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1i9b h TRP 143 N 1.95 0.13 0.00 0.66 2.91 -1.64 -3.41 115.95 116.56 1i9b h TRP 143 Ca -0.47 -0.10 0.00 0.00 1.13 0.00 0.00 58.89 59.45 1i9b h TRP 143 Cb 1.30 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.95 1i9b h TRP 143 CO 0.47 1.17 -0.44 0.25 -1.03 0.00 0.00 178.44 178.87 1i9b n THR 144 N -3.19 0.00 -3.95 2.65 -2.24 -1.26 -5.01 114.28 101.28 1i9b n THR 144 Ca -0.18 -0.31 -0.35 0.00 -2.27 0.00 0.00 64.05 60.94 1i9b n THR 144 Cb 1.04 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.97 1i9b n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1i9b s HIS 145 N -1.50 3.21 0.88 4.78 3.76 -1.26 -5.10 115.29 120.06 1i9b s HIS 145 Ca 0.00 -0.02 -0.11 0.00 -0.15 0.00 0.00 55.06 54.78 1i9b s HIS 145 Cb 0.01 -2.12 0.17 0.00 1.11 0.00 0.00 32.58 31.75 1i9b s HIS 145 CO 0.07 0.04 1.22 -3.38 -0.85 0.00 0.00 174.74 171.84 1i9b s HIS 146 N 0.67 1.65 0.59 1.40 -3.43 -1.26 -4.59 115.29 110.32 1i9b s HIS 146 Ca 0.04 0.16 0.29 0.00 -0.80 0.00 0.00 55.06 54.74 1i9b s HIS 146 Cb -0.13 -3.76 1.43 0.00 -1.43 0.00 0.00 32.58 28.69 1i9b s HIS 146 CO 0.02 -2.33 1.83 0.66 -2.00 0.00 0.00 174.74 172.92 1i9b h SER 147 N -1.28 0.00 1.67 7.38 4.64 -0.89 0.11 113.55 125.17 1i9b h SER 147 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1i9b h SER 147 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1i9b h SER 147 CO 0.40 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.39 1i9b h ARG 148 N 0.00 0.00 0.00 4.77 3.08 -1.92 -3.37 114.38 116.94 1i9b h ARG 148 Ca 0.26 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.07 1i9b h ARG 148 Cb 1.42 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.44 1i9b h ARG 148 CO -0.00 0.00 -1.83 0.39 -1.07 0.00 0.00 179.97 177.45 1i9b n GLU 149 N -2.77 0.33 -4.65 0.04 1.02 -0.44 -3.07 120.64 111.10 1i9b n GLU 149 Ca 0.04 0.12 -0.23 0.00 -0.02 0.00 0.00 57.16 57.07 1i9b n GLU 149 Cb 0.46 -1.11 -0.16 0.00 -0.02 0.00 0.00 31.44 30.62 1i9b n GLU 149 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1i9b s ILE 150 N -2.28 1.15 -0.04 -3.67 1.01 -0.11 0.12 121.20 117.38 1i9b s ILE 150 Ca -0.21 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 59.89 1i9b s ILE 150 Cb 0.07 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.56 1i9b s ILE 150 CO 0.28 0.34 -0.11 -0.94 0.00 0.00 0.00 174.94 174.51 1i9b s SER 151 N -0.01 1.54 0.00 3.58 1.04 -0.73 -3.52 113.70 115.60 1i9b s SER 151 Ca -0.01 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.20 1i9b s SER 151 Cb -0.09 -0.54 -0.03 0.00 0.10 0.00 0.00 66.02 65.46 1i9b s SER 151 CO 0.01 0.06 -0.04 0.68 0.98 0.00 0.00 173.24 174.93 1i9b s VAL 152 N 0.36 3.85 -0.03 5.02 -7.23 -1.25 -1.04 120.40 120.08 1i9b s VAL 152 Ca -0.07 -0.71 -0.06 0.00 -1.81 0.00 0.00 61.98 59.32 1i9b s VAL 152 Cb -0.12 -2.69 0.01 0.00 0.56 0.00 0.00 36.38 34.14 1i9b s VAL 152 CO 0.02 0.38 0.15 -1.81 -0.31 0.00 0.00 175.10 173.53 1i9b s ASP 153 N -1.48 -0.08 1.14 4.85 1.01 -0.65 -4.75 116.67 116.71 1i9b s ASP 153 Ca 0.18 0.09 -0.18 0.00 0.71 0.00 0.00 52.55 53.35 1i9b s ASP 153 Cb -0.11 0.27 0.26 0.00 1.01 0.00 0.00 42.92 44.35 1i9b s ASP 153 CO 0.09 -0.19 1.15 -2.65 0.21 0.00 0.00 175.17 173.78 1i9b n PRO 154 N 2.32 -2.28 0.00 8.23 -0.02 -1.26 -1.69 135.00 140.30 1i9b n PRO 154 Ca -0.17 -1.82 0.00 0.00 -2.02 0.00 0.00 63.50 59.49 1i9b n PRO 154 Cb 0.57 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1i9b n PRO 154 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1i9b n THR 155 N -4.34 0.00 -0.43 3.45 -2.24 -1.26 -4.80 114.28 104.67 1i9b n THR 155 Ca 0.15 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.81 1i9b n THR 155 Cb 0.56 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.75 1i9b n THR 155 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1i9b n THR 156 N 0.00 0.00 0.69 4.28 -1.04 -1.26 -4.84 114.28 112.11 1i9b n THR 156 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1i9b n THR 156 Cb 0.00 -0.14 0.25 0.00 -1.82 0.00 0.00 70.33 68.62 1i9b n THR 156 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1i9b n GLU 157 N 2.42 0.21 0.00 -2.82 1.02 -1.26 -4.48 120.64 115.74 1i9b n GLU 157 Ca 0.19 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1i9b n GLU 157 Cb 0.01 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 1i9b n GLU 157 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1i9b n ASN 158 N -1.98 0.00 0.00 1.62 3.02 -1.26 -4.87 115.26 111.79 1i9b n ASN 158 Ca 0.04 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1i9b n ASN 158 Cb 0.41 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1i9b n ASN 158 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1i9b n SER 159 N -0.27 0.00 -4.69 6.41 3.41 -1.26 -4.54 113.62 112.68 1i9b n SER 159 Ca 0.00 0.00 -0.53 0.00 -0.26 0.00 0.00 58.87 58.08 1i9b n SER 159 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1i9b n SER 159 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1i9b n ASP 160 N 0.00 2.82 0.11 4.04 2.03 -1.26 -4.78 116.55 119.52 1i9b n ASP 160 Ca 0.00 1.04 0.04 0.00 0.52 0.00 0.00 54.79 56.39 1i9b n ASP 160 Cb 0.00 -1.26 0.23 0.00 -0.72 0.00 0.00 41.12 39.38 1i9b n ASP 160 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1i9b n ASP 161 N 5.62 0.22 -1.33 1.67 8.00 -1.26 -1.71 116.55 127.76 1i9b n ASP 161 Ca 0.24 0.46 0.04 0.00 0.71 0.00 0.00 54.79 56.24 1i9b n ASP 161 Cb 0.21 -0.41 0.07 0.00 -0.02 0.00 0.00 41.12 40.97 1i9b n ASP 161 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1i9b n SER 162 N -1.80 1.22 0.06 -2.24 3.41 -1.26 -4.69 113.62 108.32 1i9b n SER 162 Ca -0.01 -2.47 0.11 0.00 -0.26 0.00 0.00 58.87 56.24 1i9b n SER 162 Cb 0.31 -0.36 0.44 0.00 -0.26 0.00 0.00 64.21 64.34 1i9b n SER 162 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1i9b n GLU 163 N 0.07 0.11 0.00 4.33 0.28 -0.70 -2.41 120.64 122.32 1i9b n GLU 163 Ca 0.10 0.25 0.03 0.00 -0.16 0.00 0.00 57.16 57.38 1i9b n GLU 163 Cb 1.03 -1.67 -0.00 0.00 1.43 0.00 0.00 31.44 32.22 1i9b n GLU 163 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1i9b n TYR 164 N -1.87 0.00 -2.01 -1.84 4.01 -1.26 -5.03 117.16 109.16 1i9b n TYR 164 Ca 0.04 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.39 1i9b n TYR 164 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1i9b n TYR 164 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1i9b s PHE 165 N -1.09 2.73 0.28 -0.72 5.36 -1.01 -4.56 117.98 118.96 1i9b s PHE 165 Ca 0.05 1.39 -0.29 0.00 -0.96 0.00 0.00 56.93 57.12 1i9b s PHE 165 Cb 0.05 -3.70 -0.10 0.00 -0.34 0.00 0.00 43.02 38.94 1i9b s PHE 165 CO 0.17 -2.24 1.21 0.45 -1.46 0.00 0.00 175.22 173.36 1i9b s SER 166 N -0.76 7.02 0.32 6.13 0.15 0.75 -4.92 113.70 122.39 1i9b s SER 166 Ca 0.59 2.43 0.21 0.00 0.70 0.00 0.00 55.95 59.88 1i9b s SER 166 Cb -0.38 -2.63 0.17 0.00 -1.71 0.00 0.00 66.02 61.46 1i9b s SER 166 CO 0.49 -0.36 1.38 0.06 1.20 0.00 0.00 173.24 176.01 1i9b h GLN 167 N 4.05 0.00 -0.05 5.44 3.07 -1.93 -3.23 115.11 122.46 1i9b h GLN 167 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 1i9b h GLN 167 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.78 1i9b h GLN 167 CO 0.69 0.12 0.00 0.66 0.09 0.00 0.00 178.83 180.39 1i9b n TYR 168 N -3.01 0.06 -1.86 0.06 4.01 -1.26 -4.90 117.16 110.26 1i9b n TYR 168 Ca 0.02 -0.03 -0.39 0.00 -0.16 0.00 0.00 57.90 57.34 1i9b n TYR 168 Cb 0.60 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.65 1i9b n TYR 168 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1i9b s SER 169 N -1.84 5.63 0.34 7.72 0.15 -1.22 -4.86 113.70 119.62 1i9b s SER 169 Ca 0.37 2.76 0.26 0.00 0.70 0.00 0.00 55.95 60.04 1i9b s SER 169 Cb 0.19 -2.64 1.14 0.00 -1.71 0.00 0.00 66.02 63.00 1i9b s SER 169 CO 0.31 -1.33 1.79 -0.09 1.20 0.00 0.00 173.24 175.12 1i9b h ARG 170 N 1.89 0.00 -5.25 5.44 2.43 -1.91 -3.44 114.38 113.53 1i9b h ARG 170 Ca -0.51 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 57.99 1i9b h ARG 170 Cb 1.28 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.70 1i9b h ARG 170 CO 0.59 0.00 -0.53 -0.06 -1.51 0.00 0.00 179.97 178.46 1i9b s PHE 171 N -3.45 1.94 0.04 2.20 0.40 -1.26 -2.40 117.98 115.46 1i9b s PHE 171 Ca 0.03 -0.92 -0.02 0.00 -0.60 0.00 0.00 56.93 55.41 1i9b s PHE 171 Cb 0.09 -1.63 -0.02 0.00 0.51 0.00 0.00 43.02 41.97 1i9b s PHE 171 CO 0.40 0.25 0.02 -1.83 0.70 0.00 0.00 175.22 174.77 1i9b s GLU 172 N -3.86 0.52 -0.19 0.44 -1.05 -0.51 -4.73 118.70 109.32 1i9b s GLU 172 Ca 0.09 -0.88 -0.09 0.00 -0.15 0.00 0.00 54.97 53.94 1i9b s GLU 172 Cb 0.03 0.19 -0.05 0.00 -0.44 0.00 0.00 34.13 33.86 1i9b s GLU 172 CO 0.05 -0.11 0.11 0.42 0.95 0.00 0.00 175.26 176.67 1i9b s ILE 173 N -2.78 5.18 -0.15 1.83 1.01 -1.26 -1.88 121.20 123.15 1i9b s ILE 173 Ca -0.04 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.60 1i9b s ILE 173 Cb -0.00 -3.36 -0.08 0.00 0.01 0.00 0.00 42.46 39.03 1i9b s ILE 173 CO -0.06 0.44 0.01 -0.07 0.00 0.00 0.00 174.94 175.27 1i9b h LEU 174 N 6.71 0.00 -7.16 2.97 3.38 -0.98 -3.49 115.31 116.74 1i9b h LEU 174 Ca -0.39 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.33 1i9b h LEU 174 Cb 1.16 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 1i9b h LEU 174 CO 0.74 0.90 0.07 -0.62 0.09 0.00 0.00 178.44 179.62 1i9b s ASP 175 N -6.00 -0.46 -0.04 -0.43 2.15 -0.73 -5.04 116.67 106.12 1i9b s ASP 175 Ca -0.16 0.13 0.00 0.00 0.43 0.00 0.00 52.55 52.96 1i9b s ASP 175 Cb 0.02 0.52 0.02 0.00 -0.30 0.00 0.00 42.92 43.18 1i9b s ASP 175 CO 0.30 -0.78 -0.02 -0.69 -0.17 0.00 0.00 175.17 173.81 1i9b s VAL 176 N -2.77 0.37 0.04 1.11 1.01 -1.26 -1.06 120.40 117.85 1i9b s VAL 176 Ca -0.04 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1i9b s VAL 176 Cb -0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1i9b s VAL 176 CO -0.04 0.20 -0.08 0.42 0.00 0.00 0.00 175.10 175.60 1i9b s THR 177 N 1.17 0.56 -0.08 3.92 -4.23 -1.11 -5.00 115.64 110.88 1i9b s THR 177 Ca -0.07 -0.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.46 1i9b s THR 177 Cb -0.14 -0.60 0.02 0.00 1.34 0.00 0.00 72.50 73.12 1i9b s THR 177 CO -0.02 -0.31 -0.12 -1.10 -0.54 0.00 0.00 174.62 172.53 1i9b s GLN 178 N -1.42 1.72 -0.14 3.99 -0.21 -1.26 -0.60 119.66 121.74 1i9b s GLN 178 Ca -0.08 -0.40 -0.01 0.00 0.02 0.00 0.00 55.36 54.89 1i9b s GLN 178 Cb -0.09 -1.49 0.04 0.00 1.00 0.00 0.00 33.01 32.47 1i9b s GLN 178 CO 0.00 -0.04 -0.02 0.15 -2.12 0.00 0.00 175.29 173.26 1i9b s LYS 179 N 0.90 1.06 0.69 2.91 1.02 -0.21 -4.90 119.74 121.21 1i9b s LYS 179 Ca -0.10 -0.31 -0.14 0.00 0.02 0.00 0.00 55.97 55.44 1i9b s LYS 179 Cb -0.15 -1.72 0.02 0.00 -0.52 0.00 0.00 37.83 35.45 1i9b s LYS 179 CO 0.01 -0.43 1.13 -1.59 -0.92 0.00 0.00 175.35 173.55 1i9b s LYS 180 N 1.78 2.57 0.38 1.68 0.00 -1.26 -2.27 119.74 122.61 1i9b s LYS 180 Ca 0.02 1.45 0.06 0.00 0.00 0.00 0.00 55.97 57.49 1i9b s LYS 180 Cb -0.15 -1.92 -0.02 0.00 0.00 0.00 0.00 37.83 35.74 1i9b s LYS 180 CO -0.07 -1.44 0.20 -0.80 0.00 0.00 0.00 175.35 173.24 1i9b s ASN 181 N -2.55 2.32 -0.27 0.03 0.01 0.16 -4.88 114.94 109.77 1i9b s ASN 181 Ca 0.68 -1.74 -0.00 0.00 -0.71 0.00 0.00 52.86 51.09 1i9b s ASN 181 Cb -0.22 0.57 0.16 0.00 0.41 0.00 0.00 41.25 42.17 1i9b s ASN 181 CO 0.44 -1.02 0.47 -0.55 -1.51 0.00 0.00 177.10 174.93 1i9b s SER 182 N -3.51 -0.39 0.04 -1.22 0.15 -1.26 -2.47 113.70 105.04 1i9b s SER 182 Ca 0.31 0.26 0.06 0.00 0.70 0.00 0.00 55.95 57.27 1i9b s SER 182 Cb 0.02 1.51 -0.03 0.00 -1.71 0.00 0.00 66.02 65.80 1i9b s SER 182 CO 0.21 -0.30 -0.13 -0.69 1.20 0.00 0.00 173.24 173.52 1i9b s VAL 183 N 2.66 3.13 -0.15 4.45 1.01 -1.12 -4.90 120.40 125.49 1i9b s VAL 183 Ca 0.14 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 1i9b s VAL 183 Cb -0.14 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1i9b s VAL 183 CO -0.22 0.31 -0.12 -0.89 0.00 0.00 0.00 175.10 174.19 1i9b s THR 184 N -1.00 3.04 -0.03 3.92 2.01 -1.26 0.62 115.64 122.93 1i9b s THR 184 Ca 0.16 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1i9b s THR 184 Cb -0.11 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 1i9b s THR 184 CO 0.07 0.51 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.19 1i9b s TYR 185 N 0.65 3.08 0.38 4.92 1.51 -1.23 -4.98 117.35 121.68 1i9b s TYR 185 Ca -0.06 0.10 0.13 0.00 -1.01 0.00 0.00 57.07 56.23 1i9b s TYR 185 Cb -0.15 -1.71 0.95 0.00 -0.11 0.00 0.00 41.96 40.94 1i9b s TYR 185 CO 0.02 0.45 1.84 0.66 -1.11 0.00 0.00 175.55 177.42 1i9b h SER 186 N 4.66 0.54 -0.80 2.29 4.64 -1.98 0.33 113.55 123.23 1i9b h SER 186 Ca -0.49 0.05 0.01 0.00 -0.47 0.00 0.00 61.79 60.88 1i9b h SER 186 Cb 1.18 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.18 1i9b h SER 186 CO 0.56 0.22 0.53 0.00 -0.87 0.00 0.00 176.83 177.27 1i9b h PRO 189 N 7.50 -0.08 -7.50 0.00 0.11 -1.83 -3.25 132.00 126.94 1i9b h PRO 189 Ca -0.31 0.01 -0.46 0.00 0.11 0.00 0.00 66.00 65.35 1i9b h PRO 189 Cb 1.17 0.02 0.13 0.00 0.11 0.00 0.00 31.00 32.43 1i9b h PRO 189 CO 0.47 -0.05 0.27 -1.21 -0.21 0.00 0.00 178.00 177.27 1i9b s GLU 190 N -5.63 0.91 -0.01 1.05 0.41 -1.26 -4.91 118.70 109.27 1i9b s GLU 190 Ca -0.13 -0.91 -0.07 0.00 -0.41 0.00 0.00 54.97 53.46 1i9b s GLU 190 Cb 0.12 -2.07 -0.05 0.00 -1.78 0.00 0.00 34.13 30.35 1i9b s GLU 190 CO 0.64 -2.10 0.26 0.00 -0.49 0.00 0.00 175.26 173.57 1i9b s ALA 191 N -3.58 3.85 -0.29 5.21 0.00 -1.26 -4.35 121.76 121.34 1i9b s ALA 191 Ca 0.73 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 52.14 1i9b s ALA 191 Cb -0.03 -2.06 0.08 0.00 0.00 0.00 0.00 23.12 21.11 1i9b s ALA 191 CO 0.50 0.64 -0.04 0.71 0.00 0.00 0.00 175.76 177.57 1i9b s TYR 192 N -1.27 3.37 0.64 0.00 1.51 0.20 -0.60 117.35 121.20 1i9b s TYR 192 Ca 0.26 -2.54 -0.17 0.00 -1.01 0.00 0.00 57.07 53.61 1i9b s TYR 192 Cb -0.13 -2.29 -0.01 0.00 -0.11 0.00 0.00 41.96 39.41 1i9b s TYR 192 CO 0.15 -0.90 1.15 -1.21 -1.11 0.00 0.00 175.55 173.63 1i9b s GLU 193 N 1.05 2.81 -0.03 -0.62 2.02 -1.26 -2.78 118.70 119.89 1i9b s GLU 193 Ca -0.00 1.60 -0.29 0.00 0.02 0.00 0.00 54.97 56.29 1i9b s GLU 193 Cb -0.19 -1.93 0.09 0.00 0.10 0.00 0.00 34.13 32.19 1i9b s GLU 193 CO -0.07 -1.28 0.76 0.16 0.02 0.00 0.00 175.26 174.85 1i9b s ASP 194 N -2.11 -0.55 -0.22 -0.19 1.47 -1.03 -4.24 116.67 109.80 1i9b s ASP 194 Ca 0.72 0.45 -0.09 0.00 1.18 0.00 0.00 52.55 54.81 1i9b s ASP 194 Cb -0.25 0.48 -0.04 0.00 -0.34 0.00 0.00 42.92 42.77 1i9b s ASP 194 CO 0.38 -0.61 0.11 -0.69 0.68 0.00 0.00 175.17 175.04 1i9b s VAL 195 N -1.80 5.01 -0.24 2.11 1.01 -0.73 0.39 120.40 126.15 1i9b s VAL 195 Ca -0.05 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1i9b s VAL 195 Cb -0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1i9b s VAL 195 CO 0.02 0.39 0.13 -0.70 0.00 0.00 0.00 175.10 174.94 1i9b s GLU 196 N 0.89 3.95 -0.17 2.72 2.12 -0.96 -2.02 118.70 125.24 1i9b s GLU 196 Ca 0.06 -0.33 -0.03 0.00 0.36 0.00 0.00 54.97 55.03 1i9b s GLU 196 Cb -0.13 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.77 1i9b s GLU 196 CO 0.03 0.00 -0.06 0.08 -0.54 0.00 0.00 175.26 174.77 1i9b s VAL 197 N 1.18 3.50 -0.28 3.70 1.01 -0.20 -1.04 120.40 128.27 1i9b s VAL 197 Ca 0.06 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 1i9b s VAL 197 Cb -0.14 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1i9b s VAL 197 CO 0.05 0.48 0.13 -0.44 0.00 0.00 0.00 175.10 175.32 1i9b s SER 198 N 0.73 5.53 -0.46 3.32 0.01 0.23 -0.42 113.70 122.64 1i9b s SER 198 Ca -0.03 -0.27 -0.13 0.00 1.31 0.00 0.00 55.95 56.83 1i9b s SER 198 Cb -0.15 -2.01 0.08 0.00 0.21 0.00 0.00 66.02 64.16 1i9b s SER 198 CO 0.02 -0.10 0.37 -0.22 0.41 0.00 0.00 173.24 173.72 1i9b s LEU 199 N 1.66 5.56 -0.42 2.44 2.96 0.19 -2.74 118.68 128.32 1i9b s LEU 199 Ca 0.06 -1.46 -0.17 0.00 -0.22 0.00 0.00 54.13 52.34 1i9b s LEU 199 Cb -0.16 -2.12 0.02 0.00 0.50 0.00 0.00 46.19 44.43 1i9b s LEU 199 CO 0.07 -0.64 0.41 0.21 -1.32 0.00 0.00 176.35 175.07 1i9b s ASN 200 N 2.58 6.17 0.29 3.68 2.47 -0.22 -0.85 114.94 129.07 1i9b s ASN 200 Ca 0.04 -0.75 0.05 0.00 0.42 0.00 0.00 52.86 52.61 1i9b s ASN 200 Cb -0.25 -2.21 -0.03 0.00 -1.45 0.00 0.00 41.25 37.31 1i9b s ASN 200 CO 0.05 -0.56 0.24 0.72 -3.72 0.00 0.00 177.10 173.83 1i9b s PHE 201 N 2.02 1.58 0.16 0.43 -0.71 -0.54 -0.29 117.98 120.64 1i9b s PHE 201 Ca 0.10 -1.58 -0.23 0.00 -1.04 0.00 0.00 56.93 54.18 1i9b s PHE 201 Cb -0.18 -0.66 0.07 0.00 -1.21 0.00 0.00 43.02 41.04 1i9b s PHE 201 CO 0.13 -0.81 0.64 -0.98 -1.34 0.00 0.00 175.22 172.85 1i9b s ARG 202 N -3.64 1.31 0.39 1.99 1.70 -0.79 -0.34 118.95 119.58 1i9b s ARG 202 Ca 0.40 -0.53 -0.26 0.00 -0.47 0.00 0.00 55.73 54.87 1i9b s ARG 202 Cb 0.04 0.58 -0.09 0.00 -0.57 0.00 0.00 34.95 34.90 1i9b s ARG 202 CO 0.23 -0.58 1.28 0.21 -1.08 0.00 0.00 175.30 175.37 1i9b s LYS 203 N -3.72 4.04 -0.17 3.89 2.20 0.85 -1.43 119.74 125.40 1i9b s LYS 203 Ca 0.03 2.12 -0.29 0.00 -0.36 0.00 0.00 55.97 57.47 1i9b s LYS 203 Cb -0.02 -2.80 -0.05 0.00 -1.51 0.00 0.00 37.83 33.46 1i9b s LYS 203 CO -0.10 -0.42 2.00 0.15 -0.36 0.00 0.00 175.35 176.62 1i9b s LYS 204 N -2.17 3.52 0.00 4.03 1.02 -1.01 -4.78 119.74 120.35 1i9b s LYS 204 Ca 0.56 2.03 0.00 0.00 0.02 0.00 0.00 55.97 58.58 1i9b s LYS 204 Cb -0.37 -4.24 0.00 0.00 -0.52 0.00 0.00 37.83 32.70 1i9b s LYS 204 CO 0.48 -1.65 0.00 0.41 -0.92 0.00 0.00 175.35 173.67