#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9v s ALA 3 N 0.00 -0.38 0.12 1.55 0.00 -1.26 -5.04 121.76 116.75 1s9v s ALA 3 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1s9v s ALA 3 Cb 0.00 0.99 -0.14 0.00 0.00 0.00 0.00 23.12 23.97 1s9v s ALA 3 CO 0.00 -0.90 1.28 -0.44 0.00 0.00 0.00 175.76 175.70 1s9v h ASP 4 N 2.15 0.30 -3.75 0.00 3.32 -2.09 -3.45 116.42 112.90 1s9v h ASP 4 Ca -0.26 -0.28 -0.21 0.00 0.02 0.00 0.00 57.03 56.31 1s9v h ASP 4 Cb 1.25 -0.09 -0.27 0.00 0.22 0.00 0.00 39.33 40.43 1s9v h ASP 4 CO 0.34 1.14 -0.61 -1.00 -1.72 0.00 0.00 179.24 177.39 1s9v s HIS 5 N -2.96 -0.10 -0.08 4.55 3.76 -1.26 -5.08 115.29 114.12 1s9v s HIS 5 Ca -0.03 0.26 0.02 0.00 -0.15 0.00 0.00 55.06 55.15 1s9v s HIS 5 Cb 0.09 0.02 0.02 0.00 1.11 0.00 0.00 32.58 33.82 1s9v s HIS 5 CO 0.85 -0.05 -0.12 0.08 -0.85 0.00 0.00 174.74 174.65 1s9v s VAL 6 N 0.12 1.16 0.14 -0.90 1.01 -1.26 -5.02 120.40 115.65 1s9v s VAL 6 Ca -0.01 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.58 1s9v s VAL 6 Cb -0.01 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1s9v s VAL 6 CO -0.00 0.37 -0.15 0.00 0.00 0.00 0.00 175.10 175.32 1s9v s ALA 7 N 0.92 1.64 -0.33 5.51 0.00 -1.26 -0.71 121.76 127.53 1s9v s ALA 7 Ca -0.09 -1.38 0.03 0.00 0.00 0.00 0.00 51.96 50.51 1s9v s ALA 7 Cb -0.15 -0.09 0.10 0.00 0.00 0.00 0.00 23.12 22.98 1s9v s ALA 7 CO 0.01 0.11 0.07 -1.12 0.00 0.00 0.00 175.76 174.82 1s9v s SER 8 N -2.64 4.52 -1.18 0.00 0.01 -0.03 -4.97 113.70 109.42 1s9v s SER 8 Ca 0.12 -2.02 -0.05 0.00 1.31 0.00 0.00 55.95 55.31 1s9v s SER 8 Cb -0.04 -1.39 0.23 0.00 0.21 0.00 0.00 66.02 65.04 1s9v s SER 8 CO 0.04 -0.39 1.85 -1.22 0.41 0.00 0.00 173.24 173.93 1s9v n TYR 9 N 4.41 2.60 0.00 2.43 4.01 -1.26 -1.34 117.16 128.00 1s9v n TYR 9 Ca 0.02 -2.68 0.00 0.00 -0.16 0.00 0.00 57.90 55.09 1s9v n TYR 9 Cb 0.42 -1.55 0.00 0.00 -0.31 0.00 0.00 39.34 37.90 1s9v n TYR 9 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s9v n GLY 9 N 1.53 0.10 3.53 2.72 0.00 -1.26 -5.07 105.19 106.74 1s9v n GLY 9 Ca 0.41 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 1s9v n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s9v s VAL 10 N 0.00 4.97 -0.15 1.61 1.01 -0.63 -5.02 120.40 122.20 1s9v s VAL 10 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.08 1s9v s VAL 10 Cb 0.00 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1s9v s VAL 10 CO 0.00 -0.39 -0.13 0.20 0.00 0.00 0.00 175.10 174.78 1s9v s ASN 11 N 1.85 3.92 -0.02 3.32 -0.87 -1.26 -2.71 114.94 119.17 1s9v s ASN 11 Ca 0.18 -0.38 0.03 0.00 -1.57 0.00 0.00 52.86 51.12 1s9v s ASN 11 Cb -0.15 -1.61 -0.00 0.00 -0.02 0.00 0.00 41.25 39.47 1s9v s ASN 11 CO 0.15 0.12 -0.10 -0.22 -2.57 0.00 0.00 177.10 174.48 1s9v s LEU 12 N 0.60 1.89 -0.11 0.60 2.96 -0.46 -4.99 118.68 119.16 1s9v s LEU 12 Ca -0.08 -0.20 -0.10 0.00 -0.22 0.00 0.00 54.13 53.54 1s9v s LEU 12 Cb -0.16 -0.57 0.03 0.00 0.50 0.00 0.00 46.19 46.00 1s9v s LEU 12 CO 0.03 0.10 0.30 -0.47 -1.32 0.00 0.00 176.35 174.99 1s9v s TYR 13 N 0.01 -0.34 0.00 5.38 5.04 -1.26 -0.37 117.35 125.80 1s9v s TYR 13 Ca -0.00 0.82 -0.05 0.00 -2.44 0.00 0.00 57.07 55.39 1s9v s TYR 13 Cb -0.07 0.11 -0.00 0.00 0.35 0.00 0.00 41.96 42.35 1s9v s TYR 13 CO 0.00 -0.17 0.10 1.14 -1.34 0.00 0.00 175.55 175.28 1s9v s GLN 14 N 0.26 0.41 0.13 4.97 -2.07 0.13 -4.99 119.66 118.50 1s9v s GLN 14 Ca -0.01 -0.39 -0.16 0.00 -1.82 0.00 0.00 55.36 52.99 1s9v s GLN 14 Cb -0.03 0.17 -0.00 0.00 -1.09 0.00 0.00 33.01 32.06 1s9v s GLN 14 CO -0.00 -0.09 1.68 0.66 -1.32 0.00 0.00 175.29 176.21 1s9v h SER 15 N 4.54 0.57 -2.34 12.60 4.64 -1.97 -2.51 113.55 129.08 1s9v h SER 15 Ca -0.30 -0.17 -0.55 0.00 -0.47 0.00 0.00 61.79 60.29 1s9v h SER 15 Cb 1.20 -0.15 0.03 0.00 -0.31 0.00 0.00 62.40 63.18 1s9v h SER 15 CO 0.41 0.59 1.10 0.00 -0.87 0.00 0.00 176.83 178.06 1s9v n TYR 16 N -4.63 2.50 0.00 4.77 9.36 -1.26 -3.25 117.16 124.65 1s9v n TYR 16 Ca -0.00 -0.12 0.00 0.00 3.32 0.00 0.00 57.90 61.10 1s9v n TYR 16 Cb 0.15 -2.71 0.00 0.00 -0.63 0.00 0.00 39.34 36.15 1s9v n TYR 16 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1s9v n GLY 17 N 4.25 2.46 3.89 2.98 0.00 -1.26 -3.07 105.19 114.44 1s9v n GLY 17 Ca 0.19 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 1s9v n GLY 17 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s9v s PRO 18 N 0.00 2.78 0.12 1.61 0.04 -1.20 -5.20 135.00 133.15 1s9v s PRO 18 Ca 0.00 0.40 -0.14 0.00 0.04 0.00 0.00 61.00 61.29 1s9v s PRO 18 Cb 0.00 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.53 1s9v s PRO 18 CO 0.00 -1.06 0.36 -1.54 0.04 0.00 0.00 177.00 174.79 1s9v s SER 19 N -4.38 -0.15 0.26 6.66 1.04 -0.94 -5.02 113.70 111.18 1s9v s SER 19 Ca 0.58 -0.42 -0.06 0.00 0.48 0.00 0.00 55.95 56.54 1s9v s SER 19 Cb -0.11 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 1s9v s SER 19 CO 0.51 -0.84 0.36 -0.83 0.98 0.00 0.00 173.24 173.43 1s9v s GLY 20 N -2.82 1.11 -0.09 7.32 0.00 -1.26 -0.70 107.32 110.88 1s9v s GLY 20 Ca 0.04 -1.33 -0.14 0.00 0.00 0.00 0.00 44.72 43.29 1s9v s GLY 20 CO -0.11 -0.99 0.36 1.62 0.00 0.00 0.00 173.10 173.99 1s9v s GLN 21 N -3.81 0.53 -0.04 2.90 0.74 0.50 -4.95 119.66 115.53 1s9v s GLN 21 Ca 0.30 0.27 -0.02 0.00 0.05 0.00 0.00 55.36 55.96 1s9v s GLN 21 Cb 0.02 0.25 0.03 0.00 1.10 0.00 0.00 33.01 34.41 1s9v s GLN 21 CO 0.13 -0.11 0.05 -0.47 -0.55 0.00 0.00 175.29 174.34 1s9v s TYR 22 N -0.37 0.16 0.19 1.67 5.04 -1.26 -1.36 117.35 121.42 1s9v s TYR 22 Ca -0.05 0.17 -0.09 0.00 -2.44 0.00 0.00 57.07 54.66 1s9v s TYR 22 Cb -0.03 -0.50 -0.01 0.00 0.35 0.00 0.00 41.96 41.77 1s9v s TYR 22 CO 0.02 -0.20 0.30 0.95 -1.34 0.00 0.00 175.55 175.29 1s9v s THR 23 N 1.97 0.04 -0.01 4.34 -4.23 -1.10 -0.70 115.64 115.96 1s9v s THR 23 Ca 0.03 -1.47 0.07 0.00 -1.18 0.00 0.00 61.69 59.14 1s9v s THR 23 Cb -0.12 -2.01 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 1s9v s THR 23 CO -0.03 -0.20 -0.23 -1.00 -0.54 0.00 0.00 174.62 172.62 1s9v s HIS 24 N -4.00 2.04 0.09 3.99 3.76 -0.64 -1.60 115.29 118.92 1s9v s HIS 24 Ca 0.21 -0.39 0.07 0.00 -0.15 0.00 0.00 55.06 54.81 1s9v s HIS 24 Cb 0.03 -1.30 -0.03 0.00 1.11 0.00 0.00 32.58 32.39 1s9v s HIS 24 CO 0.04 -0.01 -0.19 -1.21 -0.85 0.00 0.00 174.74 172.51 1s9v s GLU 25 N -0.64 1.04 -0.09 1.40 2.02 -0.45 0.20 118.70 122.17 1s9v s GLU 25 Ca 0.09 -1.10 -0.03 0.00 0.02 0.00 0.00 54.97 53.94 1s9v s GLU 25 Cb -0.09 -1.24 0.05 0.00 0.10 0.00 0.00 34.13 32.95 1s9v s GLU 25 CO -0.00 0.28 0.13 0.12 0.02 0.00 0.00 175.26 175.81 1s9v s PHE 26 N -1.19 -0.08 -1.41 1.61 5.36 -0.24 -0.85 117.98 121.19 1s9v s PHE 26 Ca 0.04 0.37 -0.06 0.00 -0.96 0.00 0.00 56.93 56.32 1s9v s PHE 26 Cb -0.10 -0.38 0.04 0.00 -0.34 0.00 0.00 43.02 42.23 1s9v s PHE 26 CO 0.04 -0.31 0.81 -0.25 -1.46 0.00 0.00 175.22 174.05 1s9v n ASP 27 N 5.31 -2.68 0.00 6.13 8.00 0.11 -2.19 116.55 131.24 1s9v n ASP 27 Ca -0.04 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1s9v n ASP 27 Cb 0.50 -3.94 0.00 0.00 -0.02 0.00 0.00 41.12 37.66 1s9v n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s9v n GLY 28 N -1.65 1.84 3.56 0.44 0.00 -1.26 -5.02 105.19 103.10 1s9v n GLY 28 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1s9v n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s9v s ASP 29 N -3.42 4.37 -0.13 1.61 1.01 -0.93 -5.00 116.67 114.18 1s9v s ASP 29 Ca 0.00 -0.27 -0.29 0.00 0.71 0.00 0.00 52.55 52.69 1s9v s ASP 29 Cb 0.00 -0.91 -0.02 0.00 1.01 0.00 0.00 42.92 43.00 1s9v s ASP 29 CO 0.00 0.25 1.27 -0.70 0.21 0.00 0.00 175.17 176.20 1s9v s GLU 30 N -1.62 4.26 -0.00 8.23 2.12 -1.26 -1.08 118.70 129.35 1s9v s GLU 30 Ca 0.18 1.70 -0.12 0.00 0.36 0.00 0.00 54.97 57.08 1s9v s GLU 30 Cb -0.11 -3.72 -0.33 0.00 0.26 0.00 0.00 34.13 30.24 1s9v s GLU 30 CO 0.09 -0.65 0.86 1.96 -0.54 0.00 0.00 175.26 176.98 1s9v h GLN 31 N 8.07 0.45 -1.77 4.30 4.20 -0.60 -3.43 115.11 126.33 1s9v h GLN 31 Ca -0.29 -0.77 0.26 0.00 0.06 0.00 0.00 58.65 57.91 1s9v h GLN 31 Cb 1.12 0.29 -0.12 0.00 0.30 0.00 0.00 27.48 29.07 1s9v h GLN 31 CO 0.94 1.36 0.70 -0.59 -0.67 0.00 0.00 178.83 180.57 1s9v s PHE 32 N -2.60 -0.09 0.05 2.96 -0.12 -1.22 -1.02 117.98 115.93 1s9v s PHE 32 Ca -0.12 -0.07 -0.01 0.00 -0.05 0.00 0.00 56.93 56.68 1s9v s PHE 32 Cb 0.05 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.97 1s9v s PHE 32 CO 0.90 -0.46 -0.03 1.52 -0.05 0.00 0.00 175.22 177.10 1s9v s TYR 33 N -2.73 0.50 -0.21 3.49 -0.85 -0.86 -1.62 117.35 115.07 1s9v s TYR 33 Ca 0.13 -1.00 -0.03 0.00 -0.52 0.00 0.00 57.07 55.64 1s9v s TYR 33 Cb 0.02 -0.37 -0.01 0.00 0.38 0.00 0.00 41.96 41.98 1s9v s TYR 33 CO -0.02 -0.35 -0.06 0.08 -1.52 0.00 0.00 175.55 173.68 1s9v s VAL 34 N -3.61 3.30 -0.31 -3.49 1.01 0.13 -0.32 120.40 117.10 1s9v s VAL 34 Ca 0.04 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 1s9v s VAL 34 Cb 0.06 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 1s9v s VAL 34 CO -0.09 0.44 1.74 -0.62 0.00 0.00 0.00 175.10 176.57 1s9v s ASP 35 N 1.38 6.02 0.23 3.32 -1.08 0.22 -4.47 116.67 122.30 1s9v s ASP 35 Ca 0.05 1.34 -0.00 0.00 -0.52 0.00 0.00 52.55 53.42 1s9v s ASP 35 Cb -0.14 -2.53 0.25 0.00 -1.46 0.00 0.00 42.92 39.04 1s9v s ASP 35 CO -0.03 -1.60 1.61 -0.07 0.52 0.00 0.00 175.17 175.60 1s9v h LEU 36 N 13.16 0.55 -0.44 -1.34 3.38 -1.93 0.12 115.31 128.81 1s9v h LEU 36 Ca -0.33 -0.24 -0.17 0.00 0.09 0.00 0.00 57.88 57.23 1s9v h LEU 36 Cb 1.16 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1s9v h LEU 36 CO 1.03 0.89 -0.58 1.23 0.09 0.00 0.00 178.44 181.10 1s9v h GLY 37 N 1.08 0.69 -1.82 0.83 0.00 -1.98 -3.23 103.07 98.64 1s9v h GLY 37 Ca 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1s9v h GLY 37 CO 0.08 0.74 0.00 0.54 0.00 0.00 0.00 176.54 177.90 1s9v n ARG 38 N -3.96 2.08 -3.76 4.80 1.74 -1.22 -4.99 116.66 111.35 1s9v n ARG 38 Ca -0.04 -1.89 -0.27 0.00 -0.77 0.00 0.00 57.85 54.89 1s9v n ARG 38 Cb 0.63 -1.42 0.02 0.00 -1.02 0.00 0.00 32.46 30.66 1s9v n ARG 38 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1s9v n LYS 39 N 1.23 -2.75 -4.55 5.56 4.81 0.36 -4.99 118.16 117.83 1s9v n LYS 39 Ca 0.14 0.49 -0.21 0.00 -0.87 0.00 0.00 58.31 57.85 1s9v n LYS 39 Cb 0.54 -4.54 -0.15 0.00 0.02 0.00 0.00 35.03 30.91 1s9v n LYS 39 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1s9v s GLU 40 N -6.12 1.03 -0.24 1.64 2.02 -0.89 -4.84 118.70 111.30 1s9v s GLU 40 Ca 0.21 -0.51 -0.19 0.00 0.02 0.00 0.00 54.97 54.51 1s9v s GLU 40 Cb -0.07 -1.00 -0.03 0.00 0.10 0.00 0.00 34.13 33.13 1s9v s GLU 40 CO 0.86 0.27 0.54 0.99 0.02 0.00 0.00 175.26 177.94 1s9v s THR 41 N -0.39 5.06 -0.31 3.63 2.01 -1.26 0.72 115.64 125.10 1s9v s THR 41 Ca 0.04 0.96 -0.04 0.00 0.31 0.00 0.00 61.69 62.96 1s9v s THR 41 Cb -0.05 -3.86 0.04 0.00 0.01 0.00 0.00 72.50 68.64 1s9v s THR 41 CO -0.00 0.10 0.03 -0.69 -0.69 0.00 0.00 174.62 173.36 1s9v s VAL 42 N 2.18 3.29 0.25 3.82 1.01 0.57 -4.97 120.40 126.54 1s9v s VAL 42 Ca 0.23 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 1s9v s VAL 42 Cb -0.16 -2.84 -0.09 0.00 0.00 0.00 0.00 36.38 33.29 1s9v s VAL 42 CO 0.09 -0.08 1.07 0.26 0.00 0.00 0.00 175.10 176.44 1s9v s TRP 43 N 1.33 3.66 -0.91 5.22 0.52 -1.26 -2.02 118.94 125.48 1s9v s TRP 43 Ca -0.03 1.72 0.21 0.00 0.02 0.00 0.00 56.10 58.02 1s9v s TRP 43 Cb -0.19 -3.22 -0.23 0.00 -1.15 0.00 0.00 33.47 28.67 1s9v s TRP 43 CO 0.00 -0.36 0.85 0.00 0.02 0.00 0.00 176.95 177.46 1s9v s LEU 45 N -3.09 2.62 0.28 0.00 1.43 -1.24 -5.02 118.68 113.66 1s9v s LEU 45 Ca 0.07 -1.11 -0.05 0.00 -1.03 0.00 0.00 54.13 52.01 1s9v s LEU 45 Cb 0.16 -1.27 0.55 0.00 0.03 0.00 0.00 46.19 45.65 1s9v s LEU 45 CO 0.85 -0.19 1.58 -0.65 0.23 0.00 0.00 176.35 178.17 1s9v h PRO 46 N 7.93 0.02 -0.15 1.29 0.11 -1.95 0.17 132.00 139.41 1s9v h PRO 46 Ca -0.22 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.93 1s9v h PRO 46 Cb 1.08 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1s9v h PRO 46 CO 0.45 0.01 0.19 0.28 -0.21 0.00 0.00 178.00 178.71 1s9v h VAL 47 N 0.02 0.41 0.00 3.15 2.07 -2.00 -0.03 116.25 119.87 1s9v h VAL 47 Ca 0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.02 1s9v h VAL 47 Cb 0.89 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1s9v h VAL 47 CO -0.91 0.00 0.00 0.18 0.02 0.00 0.00 177.57 176.86 1s9v n LEU 48 N -3.70 0.23 0.34 2.57 4.32 0.60 -3.64 117.00 117.72 1s9v n LEU 48 Ca 0.01 0.52 0.22 0.00 -0.02 0.00 0.00 56.01 56.74 1s9v n LEU 48 Cb 0.30 -0.45 1.18 0.00 -1.62 0.00 0.00 43.42 42.83 1s9v n LEU 48 CO 0.26 -0.05 1.18 0.03 -1.22 0.00 0.00 177.39 177.58 1s9v h ARG 49 N 0.00 0.00 0.00 3.23 3.08 -1.04 -0.70 114.38 118.95 1s9v h ARG 49 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1s9v h ARG 49 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1s9v h ARG 49 CO 0.00 0.00 0.00 -0.56 -1.07 0.00 0.00 179.97 178.34 1s9v h GLN 50 N 0.00 0.00 -7.09 0.04 3.07 -1.77 -3.44 115.11 105.92 1s9v h GLN 50 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 58.65 58.29 1s9v h GLN 50 Cb 0.07 0.00 0.07 0.00 0.08 0.00 0.00 27.48 27.70 1s9v h GLN 50 CO 0.00 0.00 0.10 -0.06 0.09 0.00 0.00 178.83 178.96 1s9v s PHE 51 N -3.54 2.51 0.02 0.06 0.08 -0.27 -5.12 117.98 111.73 1s9v s PHE 51 Ca 0.03 0.08 0.02 0.00 0.12 0.00 0.00 56.93 57.18 1s9v s PHE 51 Cb 0.09 -3.01 -0.02 0.00 -0.57 0.00 0.00 43.02 39.51 1s9v s PHE 51 CO 0.54 -1.32 -0.08 1.03 -0.10 0.00 0.00 175.22 175.30 1s9v s ARG 52 N -5.05 0.55 -0.13 0.44 0.52 -1.26 -5.09 118.95 108.93 1s9v s ARG 52 Ca 0.61 -0.54 -0.04 0.00 -0.52 0.00 0.00 55.73 55.23 1s9v s ARG 52 Cb -0.09 -0.43 0.06 0.00 0.52 0.00 0.00 34.95 35.01 1s9v s ARG 52 CO 0.42 0.10 0.24 0.12 0.02 0.00 0.00 175.30 176.20 1s9v s PHE 54 N -0.83 -0.37 -0.32 -0.53 5.36 -1.26 -5.11 117.98 114.91 1s9v s PHE 54 Ca -0.04 0.86 -0.28 0.00 -0.96 0.00 0.00 56.93 56.50 1s9v s PHE 54 Cb -0.07 -0.10 -0.02 0.00 -0.34 0.00 0.00 43.02 42.50 1s9v s PHE 54 CO 0.00 -0.35 1.77 0.34 -1.46 0.00 0.00 175.22 175.52 1s9v s ASP 55 N 2.39 5.95 0.64 6.13 -1.08 -1.26 -4.75 116.67 124.69 1s9v s ASP 55 Ca 0.02 1.32 0.38 0.00 -0.52 0.00 0.00 52.55 53.75 1s9v s ASP 55 Cb -0.12 -2.53 2.15 0.00 -1.46 0.00 0.00 42.92 40.96 1s9v s ASP 55 CO -0.08 -1.66 2.30 1.55 0.52 0.00 0.00 175.17 177.80 1s9v h PRO 56 N 12.60 0.00 -0.06 4.34 0.13 -1.94 -1.34 132.00 145.73 1s9v h PRO 56 Ca -0.34 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.81 1s9v h PRO 56 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1s9v h PRO 56 CO 1.03 0.00 0.06 0.37 -0.23 0.00 0.00 178.00 179.23 1s9v h GLN 57 N 0.00 0.00 -0.24 0.86 5.75 -1.91 -1.10 115.11 118.47 1s9v h GLN 57 Ca 0.01 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1s9v h GLN 57 Cb 0.06 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1s9v h GLN 57 CO -0.00 0.00 0.10 0.35 -2.65 0.00 0.00 178.83 176.63 1s9v h PHE 58 N 0.00 0.36 -0.08 3.99 3.57 -1.64 -0.94 116.94 122.20 1s9v h PHE 58 Ca 0.03 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1s9v h PHE 58 Cb 0.16 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1s9v h PHE 58 CO 0.00 0.37 0.05 0.00 -2.23 0.00 0.00 178.31 176.50 1s9v h ALA 59 N 0.95 0.10 -0.65 2.41 0.00 -1.39 0.66 119.26 121.34 1s9v h ALA 59 Ca 0.08 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1s9v h ALA 59 Cb 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1s9v h ALA 59 CO -0.01 -0.39 0.40 -0.07 0.00 0.00 0.00 179.25 179.18 1s9v h LEU 60 N 0.07 0.64 -0.36 0.00 4.07 -1.28 0.82 115.31 119.29 1s9v h LEU 60 Ca 0.03 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.92 1s9v h LEU 60 Cb 0.03 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1s9v h LEU 60 CO -0.01 0.44 -0.05 0.74 -1.08 0.00 0.00 178.44 178.48 1s9v h THR 61 N 0.78 1.27 -0.60 0.22 2.02 -0.95 -1.47 112.91 114.18 1s9v h THR 61 Ca 0.27 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 1s9v h THR 61 Cb 0.05 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1s9v h THR 61 CO -0.12 0.36 0.24 -1.13 0.37 0.00 0.00 175.52 175.25 1s9v h ASN 62 N 0.46 0.82 -0.01 4.18 -1.24 -0.52 -1.49 115.58 117.78 1s9v h ASN 62 Ca 0.09 -0.17 -0.07 0.00 0.71 0.00 0.00 56.30 56.87 1s9v h ASN 62 Cb 0.55 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 1s9v h ASN 62 CO 0.03 0.76 -0.17 0.40 -1.29 0.00 0.00 177.43 177.16 1s9v h ILE 63 N 0.83 1.22 -0.39 2.57 1.08 -0.77 -0.30 117.51 121.75 1s9v h ILE 63 Ca 0.20 -0.99 -0.05 0.00 -0.39 0.00 0.00 64.86 63.64 1s9v h ILE 63 Cb 0.19 1.26 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 1s9v h ILE 63 CO -0.02 0.31 0.04 0.00 -0.69 0.00 0.00 178.15 177.80 1s9v h ALA 64 N 1.52 1.35 -0.23 1.87 0.00 -0.50 -1.03 119.26 122.24 1s9v h ALA 64 Ca 0.06 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1s9v h ALA 64 Cb 0.49 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1s9v h ALA 64 CO 0.03 0.45 -0.56 0.28 0.00 0.00 0.00 179.25 179.45 1s9v h VAL 65 N 0.58 1.30 -0.78 0.00 2.07 -0.12 -1.85 116.25 117.44 1s9v h VAL 65 Ca 0.13 -1.79 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 1s9v h VAL 65 Cb 0.30 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1s9v h VAL 65 CO 0.01 0.57 0.39 -0.07 0.02 0.00 0.00 177.57 178.49 1s9v h LEU 66 N 0.54 0.99 0.05 2.57 3.38 -0.55 0.14 115.31 122.43 1s9v h LEU 66 Ca 0.01 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1s9v h LEU 66 Cb 1.14 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1s9v h LEU 66 CO 0.12 0.82 -0.03 0.50 0.09 0.00 0.00 178.44 179.94 1s9v h LYS 67 N 1.10 -0.07 0.01 1.13 3.64 -1.01 0.19 116.57 121.56 1s9v h LYS 67 Ca 0.27 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1s9v h LYS 67 Cb 0.08 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1s9v h LYS 67 CO -0.04 0.01 -0.10 1.25 -2.27 0.00 0.00 179.45 178.31 1s9v h HIS 68 N -0.14 -0.24 -0.73 1.91 2.76 -0.85 -1.64 115.15 116.21 1s9v h HIS 68 Ca -0.01 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1s9v h HIS 68 Cb 0.12 0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.15 1s9v h HIS 68 CO -0.05 -0.15 0.47 -0.91 -1.30 0.00 0.00 177.93 175.98 1s9v h ASN 69 N -0.17 0.85 -0.54 3.26 4.21 -0.59 -2.67 115.58 119.92 1s9v h ASN 69 Ca 0.03 -0.03 -0.04 0.00 1.21 0.00 0.00 56.30 57.47 1s9v h ASN 69 Cb 0.21 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 1s9v h ASN 69 CO -0.09 0.63 0.18 0.25 -1.29 0.00 0.00 177.43 177.11 1s9v h LEU 70 N 0.99 0.79 -0.67 1.61 5.85 -0.07 -2.06 115.31 121.75 1s9v h LEU 70 Ca 0.26 -0.20 0.10 0.00 0.84 0.00 0.00 57.88 58.88 1s9v h LEU 70 Cb -0.09 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.66 1s9v h LEU 70 CO -0.05 0.78 0.28 0.78 -0.34 0.00 0.00 178.44 179.89 1s9v h ASN 71 N 0.75 0.32 -0.18 1.25 -0.26 -0.96 0.64 115.58 117.14 1s9v h ASN 71 Ca 0.18 0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.97 1s9v h ASN 71 Cb 0.27 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 1s9v h ASN 71 CO -0.01 0.18 0.02 -1.28 -1.06 0.00 0.00 177.43 175.28 1s9v h SER 72 N 0.48 0.30 -0.38 5.81 0.87 -1.41 -2.89 113.55 116.33 1s9v h SER 72 Ca 0.34 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1s9v h SER 72 Cb 0.41 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1s9v h SER 72 CO -0.31 0.49 0.22 -0.07 -0.53 0.00 0.00 176.83 176.64 1s9v h LEU 73 N 0.08 0.49 -0.08 2.23 -0.00 -0.70 0.61 115.31 117.95 1s9v h LEU 73 Ca 0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1s9v h LEU 73 Cb 0.33 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1s9v h LEU 73 CO 0.01 0.40 0.05 0.40 -0.00 0.00 0.00 178.44 179.30 1s9v h ILE 74 N 0.56 1.03 0.40 1.22 2.04 -0.73 0.52 117.51 122.55 1s9v h ILE 74 Ca 0.15 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 1s9v h ILE 74 Cb 0.02 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1s9v h ILE 74 CO -0.02 0.03 -0.19 0.11 0.00 0.00 0.00 178.15 178.07 1s9v h LYS 75 N 0.10 -0.52 0.00 2.37 1.57 -1.21 0.46 116.57 119.33 1s9v h LYS 75 Ca 0.03 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1s9v h LYS 75 Cb 0.00 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1s9v h LYS 75 CO -0.01 -0.22 -0.02 0.00 -0.57 0.00 0.00 179.45 178.63 1s9v h ARG 76 N -0.82 0.00 -0.42 3.15 3.08 -0.88 -1.09 114.38 117.40 1s9v h ARG 76 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1s9v h ARG 76 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1s9v h ARG 76 CO 0.09 0.02 0.00 -1.13 -1.07 0.00 0.00 179.97 177.88 1s9v n SER 77 N -3.27 2.66 -3.63 7.04 3.41 0.17 -4.90 113.62 115.10 1s9v n SER 77 Ca -0.02 -1.94 -0.22 0.00 -0.26 0.00 0.00 58.87 56.43 1s9v n SER 77 Cb 0.16 -0.28 0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1s9v n SER 77 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1s9v n ASN 78 N 0.95 -3.35 -4.16 4.04 5.15 -0.41 -2.61 115.26 114.86 1s9v n ASN 78 Ca 0.17 -0.68 -0.31 0.00 -0.60 0.00 0.00 54.58 53.16 1s9v n ASN 78 Cb 0.44 -4.60 -0.04 0.00 -0.53 0.00 0.00 39.78 35.05 1s9v n ASN 78 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1s9v n SER 79 N -3.03 -1.09 -4.60 1.20 3.41 0.16 -4.89 113.62 104.78 1s9v n SER 79 Ca -0.16 -1.09 -0.43 0.00 -0.26 0.00 0.00 58.87 56.93 1s9v n SER 79 Cb 0.62 -2.53 -0.02 0.00 -0.26 0.00 0.00 64.21 62.01 1s9v n SER 79 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1s9v s THR 80 N -3.79 4.03 0.80 6.66 -4.23 -1.07 -4.99 115.64 113.05 1s9v s THR 80 Ca 0.30 1.06 -0.12 0.00 -1.18 0.00 0.00 61.69 61.75 1s9v s THR 80 Cb -0.17 -4.33 0.07 0.00 1.34 0.00 0.00 72.50 69.42 1s9v s THR 80 CO 0.94 -0.81 1.17 0.00 -0.54 0.00 0.00 174.62 175.38 1s9v s ALA 81 N 5.01 2.67 0.39 3.99 0.00 -1.26 -5.04 121.76 127.53 1s9v s ALA 81 Ca 0.56 -0.62 -0.25 0.00 0.00 0.00 0.00 51.96 51.66 1s9v s ALA 81 Cb -0.12 -2.97 -0.09 0.00 0.00 0.00 0.00 23.12 19.95 1s9v s ALA 81 CO 0.31 -1.63 1.12 0.00 0.00 0.00 0.00 175.76 175.56 1s9v s ALA 82 N -3.56 3.14 -0.07 0.00 0.00 -1.26 -5.04 121.76 114.97 1s9v s ALA 82 Ca 0.62 0.86 -0.10 0.00 0.00 0.00 0.00 51.96 53.34 1s9v s ALA 82 Cb -0.11 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 1s9v s ALA 82 CO 0.49 -0.40 0.24 0.99 0.00 0.00 0.00 175.76 177.09 1s9v s THR 83 N -1.49 5.33 -0.01 0.00 2.01 -1.26 -4.99 115.64 115.24 1s9v s THR 83 Ca 0.57 0.43 -0.29 0.00 0.31 0.00 0.00 61.69 62.70 1s9v s THR 83 Cb -0.28 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 1s9v s THR 83 CO 0.35 0.59 0.94 0.20 -0.69 0.00 0.00 174.62 176.01 1s9v s ASN 84 N -1.08 7.33 0.49 3.53 0.01 -1.26 -4.27 114.94 119.68 1s9v s ASN 84 Ca 0.19 1.60 0.05 0.00 -0.71 0.00 0.00 52.86 53.99 1s9v s ASN 84 Cb -0.14 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 39.00 1s9v s ASN 84 CO 0.08 -0.24 0.67 -1.61 -1.51 0.00 0.00 177.10 174.49 1s9v s GLU 85 N 0.96 2.67 -0.29 -0.60 0.41 0.29 -4.83 118.70 117.31 1s9v s GLU 85 Ca 0.50 -1.04 -0.10 0.00 -0.41 0.00 0.00 54.97 53.92 1s9v s GLU 85 Cb -0.21 -2.63 -0.02 0.00 -1.78 0.00 0.00 34.13 29.49 1s9v s GLU 85 CO 0.27 -0.50 0.15 0.08 -0.49 0.00 0.00 175.26 174.77 1s9v s VAL 86 N -2.55 4.81 0.51 2.63 1.01 -1.26 -4.01 120.40 121.54 1s9v s VAL 86 Ca 0.56 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.18 1s9v s VAL 86 Cb -0.10 -3.36 -0.07 0.00 0.00 0.00 0.00 36.38 32.84 1s9v s VAL 86 CO 0.36 0.17 1.02 -2.16 0.00 0.00 0.00 175.10 174.49 1s9v s PRO 87 N 1.67 3.74 -0.19 2.72 0.04 -1.25 -4.83 135.00 136.90 1s9v s PRO 87 Ca 0.06 1.23 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 1s9v s PRO 87 Cb -0.16 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1s9v s PRO 87 CO 0.07 -0.46 -0.02 -2.00 0.04 0.00 0.00 177.00 174.63 1s9v s GLU 88 N -3.59 3.58 -0.06 4.56 2.12 0.04 -4.92 118.70 120.42 1s9v s GLU 88 Ca 0.64 -0.54 0.02 0.00 0.36 0.00 0.00 54.97 55.45 1s9v s GLU 88 Cb -0.14 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.19 1s9v s GLU 88 CO 0.25 0.02 -0.11 0.08 -0.54 0.00 0.00 175.26 174.96 1s9v s VAL 89 N 0.96 3.34 -0.06 3.70 1.01 -1.26 0.45 120.40 128.53 1s9v s VAL 89 Ca 0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1s9v s VAL 89 Cb -0.14 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 33.93 1s9v s VAL 89 CO 0.01 0.59 0.15 -0.89 0.00 0.00 0.00 175.10 174.97 1s9v s THR 90 N -0.70 -0.03 -0.06 3.92 2.01 -0.50 -4.99 115.64 115.31 1s9v s THR 90 Ca 0.11 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.27 1s9v s THR 90 Cb -0.11 -0.24 -0.01 0.00 0.01 0.00 0.00 72.50 72.15 1s9v s THR 90 CO 0.01 0.05 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.06 1s9v s VAL 91 N 0.78 2.22 0.18 3.82 1.01 -1.26 -0.10 120.40 127.06 1s9v s VAL 91 Ca -0.06 -1.01 -0.22 0.00 0.00 0.00 0.00 61.98 60.69 1s9v s VAL 91 Cb -0.08 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.55 1s9v s VAL 91 CO -0.04 0.57 0.61 0.72 0.00 0.00 0.00 175.10 176.96 1s9v s PHE 92 N -0.26 -0.45 0.33 5.22 -0.12 -0.14 -4.98 117.98 117.58 1s9v s PHE 92 Ca -0.00 0.19 -0.06 0.00 -0.05 0.00 0.00 56.93 57.01 1s9v s PHE 92 Cb -0.13 0.57 -0.05 0.00 -0.63 0.00 0.00 43.02 42.78 1s9v s PHE 92 CO 0.03 -0.91 0.61 -1.54 -0.05 0.00 0.00 175.22 173.35 1s9v s SER 93 N -2.79 6.44 0.10 1.98 1.04 -1.26 0.80 113.70 120.02 1s9v s SER 93 Ca 0.03 0.79 -0.13 0.00 0.48 0.00 0.00 55.95 57.12 1s9v s SER 93 Cb -0.02 -2.18 -0.14 0.00 0.10 0.00 0.00 66.02 63.78 1s9v s SER 93 CO -0.09 -0.27 1.32 0.50 0.98 0.00 0.00 173.24 175.69 1s9v h LYS 94 N 1.44 0.80 -5.73 4.02 3.64 -1.32 -3.46 116.57 115.96 1s9v h LYS 94 Ca -0.48 -0.61 -0.56 0.00 -1.27 0.00 0.00 60.65 57.73 1s9v h LYS 94 Cb 1.19 0.11 -0.14 0.00 -0.41 0.00 0.00 32.23 32.99 1s9v h LYS 94 CO 0.65 1.22 -0.67 -1.12 -2.27 0.00 0.00 179.45 177.26 1s9v s SER 95 N -7.03 3.29 0.56 4.20 0.01 -1.26 -5.04 113.70 108.42 1s9v s SER 95 Ca -0.11 -1.20 -0.20 0.00 1.31 0.00 0.00 55.95 55.75 1s9v s SER 95 Cb 0.09 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 1s9v s SER 95 CO 0.90 -0.28 1.23 -2.16 0.41 0.00 0.00 173.24 173.34 1s9v s PRO 96 N -3.67 3.14 -0.13 12.44 0.04 -1.26 -4.94 135.00 140.62 1s9v s PRO 96 Ca 0.31 1.90 -0.27 0.00 0.04 0.00 0.00 61.00 62.98 1s9v s PRO 96 Cb 0.03 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1s9v s PRO 96 CO 0.15 -1.09 0.91 0.08 0.04 0.00 0.00 177.00 177.08 1s9v s VAL 97 N -1.53 4.85 -0.04 -0.36 1.01 -1.26 -5.03 120.40 118.04 1s9v s VAL 97 Ca 0.74 1.82 -0.01 0.00 0.00 0.00 0.00 61.98 64.53 1s9v s VAL 97 Cb -0.32 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 31.87 1s9v s VAL 97 CO 0.36 0.03 0.03 0.28 0.00 0.00 0.00 175.10 175.80 1s9v s THR 98 N 1.98 0.03 0.13 3.92 -1.32 -1.26 -5.12 115.64 114.00 1s9v s THR 98 Ca 0.43 0.25 -0.35 0.00 -1.21 0.00 0.00 61.69 60.81 1s9v s THR 98 Cb -0.17 -0.21 -0.16 0.00 -1.51 0.00 0.00 72.50 70.45 1s9v s THR 98 CO 0.15 0.16 1.32 0.18 -2.21 0.00 0.00 174.62 174.22 1s9v n LEU 99 N 4.69 1.86 0.00 9.08 4.32 -1.26 -1.66 117.00 134.02 1s9v n LEU 99 Ca -0.16 1.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.95 1s9v n LEU 99 Cb 0.50 -1.24 0.00 0.00 -1.62 0.00 0.00 43.42 41.06 1s9v n LEU 99 CO 0.15 -1.00 0.00 0.61 -1.22 0.00 0.00 177.39 175.93 1s9v n GLY 100 N 2.46 1.28 3.38 -0.72 0.00 -0.94 -5.00 105.19 105.64 1s9v n GLY 100 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1s9v n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1s9v s GLN 101 N -0.04 2.91 0.12 1.61 2.00 -0.67 -4.93 119.66 120.66 1s9v s GLN 101 Ca 0.00 -1.01 -0.34 0.00 -2.00 0.00 0.00 55.36 52.00 1s9v s GLN 101 Cb 0.00 -3.66 -0.17 0.00 0.80 0.00 0.00 33.01 29.98 1s9v s GLN 101 CO 0.00 -0.63 1.02 -2.30 -0.50 0.00 0.00 175.29 172.88 1s9v n PRO 102 N 4.97 0.57 -2.65 1.67 -0.02 -1.26 -4.29 135.00 133.99 1s9v n PRO 102 Ca -0.12 0.21 -0.06 0.00 -2.02 0.00 0.00 63.50 61.50 1s9v n PRO 102 Cb 0.47 -1.62 -0.02 0.00 -0.02 0.00 0.00 33.50 32.31 1s9v n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1s9v n ASN 103 N 1.88 -0.00 -3.74 2.55 2.85 0.25 -5.01 115.26 114.05 1s9v n ASN 103 Ca 0.17 -1.63 -0.18 0.00 -0.11 0.00 0.00 54.58 52.84 1s9v n ASN 103 Cb 0.19 0.45 -0.17 0.00 1.24 0.00 0.00 39.78 41.49 1s9v n ASN 103 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1s9v s ILE 104 N -2.32 -0.02 0.00 -1.44 -1.09 -1.26 -1.93 121.20 113.14 1s9v s ILE 104 Ca 0.11 0.28 -0.17 0.00 -2.23 0.00 0.00 60.65 58.63 1s9v s ILE 104 Cb 0.01 -0.17 -0.06 0.00 -1.58 0.00 0.00 42.46 40.66 1s9v s ILE 104 CO 0.07 0.14 0.49 -0.76 -1.23 0.00 0.00 174.94 173.66 1s9v s LEU 105 N 1.56 4.45 -0.10 2.97 1.43 0.16 -0.79 118.68 128.37 1s9v s LEU 105 Ca -0.03 1.06 0.03 0.00 -1.03 0.00 0.00 54.13 54.16 1s9v s LEU 105 Cb -0.13 -2.74 -0.01 0.00 0.03 0.00 0.00 46.19 43.34 1s9v s LEU 105 CO -0.03 0.23 -0.19 -0.63 0.23 0.00 0.00 176.35 175.96 1s9v s ILE 106 N -0.70 2.58 -0.24 -0.59 1.01 0.24 -1.32 121.20 122.18 1s9v s ILE 106 Ca 0.27 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1s9v s ILE 106 Cb -0.17 -2.03 0.05 0.00 0.01 0.00 0.00 42.46 40.32 1s9v s ILE 106 CO 0.15 0.55 -0.13 0.00 0.00 0.00 0.00 174.94 175.52 1s9v s LEU 108 N 1.15 4.50 -0.43 0.00 0.20 0.86 -1.44 118.68 123.52 1s9v s LEU 108 Ca -0.06 -0.30 -0.10 0.00 0.69 0.00 0.00 54.13 54.36 1s9v s LEU 108 Cb -0.19 -2.32 0.08 0.00 -0.43 0.00 0.00 46.19 43.34 1s9v s LEU 108 CO -0.07 -0.35 0.28 -0.69 -0.29 0.00 0.00 176.35 175.23 1s9v s VAL 109 N 1.98 4.31 0.43 1.68 1.01 -0.32 -1.40 120.40 128.09 1s9v s VAL 109 Ca 0.11 -1.41 0.08 0.00 0.00 0.00 0.00 61.98 60.76 1s9v s VAL 109 Cb -0.17 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1s9v s VAL 109 CO 0.12 -0.54 0.58 -0.62 0.00 0.00 0.00 175.10 174.64 1s9v s ASP 110 N 2.21 5.61 -1.28 3.32 -1.08 0.17 -1.40 116.67 124.22 1s9v s ASP 110 Ca 0.03 -0.45 -0.09 0.00 -0.52 0.00 0.00 52.55 51.52 1s9v s ASP 110 Cb -0.23 -0.59 -0.00 0.00 -1.46 0.00 0.00 42.92 40.63 1s9v s ASP 110 CO 0.02 -0.80 0.61 -3.20 0.52 0.00 0.00 175.17 172.32 1s9v n ASN 111 N -1.87 -2.46 -4.69 -0.34 5.15 -1.12 -0.78 115.26 109.14 1s9v n ASN 111 Ca 0.08 -0.99 -0.37 0.00 -0.60 0.00 0.00 54.58 52.70 1s9v n ASN 111 Cb 0.59 -3.29 -0.07 0.00 -0.53 0.00 0.00 39.78 36.47 1s9v n ASN 111 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1s9v s ILE 112 N -3.72 5.26 -0.30 -1.44 1.01 0.13 -3.76 121.20 118.38 1s9v s ILE 112 Ca 0.20 0.60 -0.16 0.00 0.00 0.00 0.00 60.65 61.28 1s9v s ILE 112 Cb -0.07 -3.67 0.18 0.00 0.01 0.00 0.00 42.46 38.91 1s9v s ILE 112 CO 0.87 0.32 1.15 0.12 0.00 0.00 0.00 174.94 177.40 1s9v s PHE 113 N 0.91 -0.29 1.02 3.97 5.36 -1.26 0.28 117.98 127.96 1s9v s PHE 113 Ca 0.17 0.55 -0.12 0.00 -0.96 0.00 0.00 56.93 56.57 1s9v s PHE 113 Cb -0.14 0.17 0.20 0.00 -0.34 0.00 0.00 43.02 42.91 1s9v s PHE 113 CO 0.06 -0.14 1.08 -1.25 -1.46 0.00 0.00 175.22 173.50 1s9v s PRO 114 N 1.45 0.27 -1.33 10.12 0.04 -1.26 -0.55 135.00 143.74 1s9v s PRO 114 Ca -0.06 0.79 -0.15 0.00 0.04 0.00 0.00 61.00 61.62 1s9v s PRO 114 Cb -0.03 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.80 1s9v s PRO 114 CO -0.13 -2.91 2.26 -0.35 0.04 0.00 0.00 177.00 175.90 1s9v n PRO 115 N -4.34 2.67 -3.64 0.56 -0.04 -1.26 -4.77 135.00 124.17 1s9v n PRO 115 Ca 0.05 -2.36 -0.21 0.00 -0.04 0.00 0.00 63.50 60.94 1s9v n PRO 115 Cb 0.55 -3.13 -0.17 0.00 -0.04 0.00 0.00 33.50 30.72 1s9v n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1s9v s VAL 116 N 3.43 -0.15 0.03 0.52 1.01 -1.26 -5.12 120.40 118.86 1s9v s VAL 116 Ca 0.51 0.22 -0.23 0.00 0.00 0.00 0.00 61.98 62.49 1s9v s VAL 116 Cb 0.14 -0.33 0.05 0.00 0.00 0.00 0.00 36.38 36.25 1s9v s VAL 116 CO -0.04 0.02 0.52 0.54 0.00 0.00 0.00 175.10 176.14 1s9v s VAL 117 N 2.20 0.03 -0.18 2.92 0.11 -1.26 -4.69 120.40 119.52 1s9v s VAL 117 Ca 0.04 -0.24 0.01 0.00 -2.93 0.00 0.00 61.98 58.86 1s9v s VAL 117 Cb -0.13 -0.95 0.02 0.00 -1.53 0.00 0.00 36.38 33.79 1s9v s VAL 117 CO -0.06 -0.13 -0.19 0.20 -3.33 0.00 0.00 175.10 171.59 1s9v s ASN 118 N -1.83 3.22 -0.19 3.54 0.01 -0.76 -4.99 114.94 113.94 1s9v s ASN 118 Ca -0.07 -0.71 0.01 0.00 -0.71 0.00 0.00 52.86 51.39 1s9v s ASN 118 Cb -0.01 -1.46 0.03 0.00 0.41 0.00 0.00 41.25 40.22 1s9v s ASN 118 CO 0.00 -0.02 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.77 1s9v s ILE 119 N 1.29 1.99 0.15 0.60 1.01 -1.26 -0.74 121.20 124.24 1s9v s ILE 119 Ca 0.04 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.70 1s9v s ILE 119 Cb -0.14 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1s9v s ILE 119 CO -0.12 0.41 -0.08 0.42 0.00 0.00 0.00 174.94 175.57 1s9v s THR 120 N 1.29 1.02 0.09 2.92 -4.23 0.32 -4.97 115.64 112.08 1s9v s THR 120 Ca 0.02 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 1s9v s THR 120 Cb -0.14 -1.89 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 1s9v s THR 120 CO -0.11 -0.70 -0.09 0.26 -0.54 0.00 0.00 174.62 173.44 1s9v s TRP 121 N -3.42 2.78 -0.01 3.99 0.52 -1.26 0.68 118.94 122.21 1s9v s TRP 121 Ca 0.18 -0.13 0.07 0.00 0.02 0.00 0.00 56.10 56.23 1s9v s TRP 121 Cb 0.04 -1.46 -0.02 0.00 -1.15 0.00 0.00 33.47 30.87 1s9v s TRP 121 CO 0.01 0.42 -0.22 -0.51 0.02 0.00 0.00 176.95 176.67 1s9v s LEU 122 N -2.12 2.05 -0.21 2.99 1.43 -0.08 -1.30 118.68 121.43 1s9v s LEU 122 Ca 0.21 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1s9v s LEU 122 Cb -0.11 -1.12 0.05 0.00 0.03 0.00 0.00 46.19 45.04 1s9v s LEU 122 CO 0.13 0.26 -0.09 -0.55 0.23 0.00 0.00 176.35 176.34 1s9v s SER 123 N -0.55 3.60 -1.30 2.29 0.15 0.44 -1.78 113.70 116.55 1s9v s SER 123 Ca 0.08 -1.00 -0.01 0.00 0.70 0.00 0.00 55.95 55.72 1s9v s SER 123 Cb -0.08 -1.24 -0.00 0.00 -1.71 0.00 0.00 66.02 62.98 1s9v s SER 123 CO -0.01 -0.17 0.71 0.59 1.20 0.00 0.00 173.24 175.56 1s9v n ASN 124 N 4.66 -1.32 0.00 5.45 3.02 -0.20 -2.31 115.26 124.55 1s9v n ASN 124 Ca -0.14 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 1s9v n ASN 124 Cb 0.45 -4.07 0.00 0.00 -0.61 0.00 0.00 39.78 35.55 1s9v n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s9v n GLY 125 N -1.56 1.92 3.20 7.41 0.00 -1.26 -5.01 105.19 109.89 1s9v n GLY 125 Ca -0.29 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 1s9v n GLY 125 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1s9v s HIS 126 N -3.20 1.57 0.45 1.61 -3.43 -0.98 -5.03 115.29 106.28 1s9v s HIS 126 Ca 0.00 -0.35 -0.23 0.00 -0.80 0.00 0.00 55.06 53.68 1s9v s HIS 126 Cb 0.00 -0.95 -0.10 0.00 -1.43 0.00 0.00 32.58 30.10 1s9v s HIS 126 CO 0.00 0.05 1.00 -1.13 -2.00 0.00 0.00 174.74 172.66 1s9v n SER 127 N 2.06 1.20 -4.68 7.38 3.41 -1.26 -0.42 113.62 121.31 1s9v n SER 127 Ca -0.17 1.00 -0.35 0.00 -0.26 0.00 0.00 58.87 59.09 1s9v n SER 127 Cb 0.54 -1.36 -0.09 0.00 -0.26 0.00 0.00 64.21 63.03 1s9v n SER 127 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1s9v s VAL 128 N -1.32 4.52 -0.18 -3.33 1.01 -0.42 -4.77 120.40 115.91 1s9v s VAL 128 Ca 0.65 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.53 1s9v s VAL 128 Cb -0.53 -2.95 -0.15 0.00 0.00 0.00 0.00 36.38 32.75 1s9v s VAL 128 CO 0.55 0.56 -0.09 0.35 0.00 0.00 0.00 175.10 176.48 1s9v n THR 129 N 2.58 1.09 -3.97 3.92 -2.24 -1.26 -4.69 114.28 109.72 1s9v n THR 129 Ca -0.18 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 60.79 1s9v n THR 129 Cb 0.53 -0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 67.74 1s9v n THR 129 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1s9v s GLU 130 N -2.38 3.23 0.00 -0.78 0.41 -1.26 -4.56 118.70 113.36 1s9v s GLU 130 Ca -0.19 -0.53 0.00 0.00 -0.41 0.00 0.00 54.97 53.83 1s9v s GLU 130 Cb 0.06 -2.92 0.00 0.00 -1.78 0.00 0.00 34.13 29.49 1s9v s GLU 130 CO 0.51 0.59 0.00 0.41 -0.49 0.00 0.00 175.26 176.28 1s9v n GLY 131 N 0.34 0.43 3.48 -1.39 0.00 -1.26 -4.83 105.19 101.95 1s9v n GLY 131 Ca -0.06 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 1s9v n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s9v s VAL 132 N -2.00 3.03 0.22 1.61 1.01 -1.26 -1.56 120.40 121.46 1s9v s VAL 132 Ca 0.00 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 1s9v s VAL 132 Cb 0.00 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1s9v s VAL 132 CO 0.00 0.56 0.50 -0.94 0.00 0.00 0.00 175.10 175.21 1s9v s SER 133 N -0.83 -0.15 0.18 3.32 1.04 -0.67 -4.98 113.70 111.61 1s9v s SER 133 Ca 0.12 -0.74 -0.16 0.00 0.48 0.00 0.00 55.95 55.65 1s9v s SER 133 Cb -0.11 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.62 1s9v s SER 133 CO 0.01 -1.10 0.49 -1.83 0.98 0.00 0.00 173.24 171.78 1s9v s GLU 134 N -3.95 1.32 0.77 4.02 -1.05 -1.26 0.40 118.70 118.95 1s9v s GLU 134 Ca 0.16 -0.87 -0.04 0.00 -0.15 0.00 0.00 54.97 54.06 1s9v s GLU 134 Cb -0.01 0.50 0.14 0.00 -0.44 0.00 0.00 34.13 34.32 1s9v s GLU 134 CO 0.04 -0.55 1.07 0.95 0.95 0.00 0.00 175.26 177.72 1s9v s THR 135 N -3.87 2.11 0.38 1.83 -4.23 -0.42 -5.01 115.64 106.42 1s9v s THR 135 Ca 0.09 -0.45 -0.06 0.00 -1.18 0.00 0.00 61.69 60.10 1s9v s THR 135 Cb -0.00 -2.67 0.09 0.00 1.34 0.00 0.00 72.50 71.26 1s9v s THR 135 CO -0.04 0.00 0.51 -1.20 -0.54 0.00 0.00 174.62 173.36 1s9v n SER 136 N -3.05 0.09 -4.66 3.99 7.64 -1.26 -4.70 113.62 111.67 1s9v n SER 136 Ca 0.15 -1.22 -0.43 0.00 1.01 0.00 0.00 58.87 58.38 1s9v n SER 136 Cb 0.60 -0.39 -0.02 0.00 -1.01 0.00 0.00 64.21 63.40 1s9v n SER 136 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1s9v s PHE 137 N -2.04 3.24 -0.06 1.43 0.08 -1.26 -4.59 117.98 114.77 1s9v s PHE 137 Ca 0.29 1.37 -0.14 0.00 0.12 0.00 0.00 56.93 58.57 1s9v s PHE 137 Cb -0.01 -3.34 -0.05 0.00 -0.57 0.00 0.00 43.02 39.06 1s9v s PHE 137 CO 0.21 -0.72 0.37 -0.51 -0.10 0.00 0.00 175.22 174.46 1s9v s LEU 138 N 3.28 4.39 0.79 -0.37 2.01 0.13 -4.88 118.68 124.03 1s9v s LEU 138 Ca 0.46 0.80 -0.11 0.00 0.01 0.00 0.00 54.13 55.29 1s9v s LEU 138 Cb -0.16 -2.51 0.07 0.00 0.01 0.00 0.00 46.19 43.60 1s9v s LEU 138 CO 0.08 0.24 1.09 -0.94 1.01 0.00 0.00 176.35 177.83 1s9v s SER 139 N -0.52 4.44 0.08 2.29 1.04 -1.26 -1.08 113.70 118.69 1s9v s SER 139 Ca 0.22 1.53 0.02 0.00 0.48 0.00 0.00 55.95 58.20 1s9v s SER 139 Cb -0.15 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 1s9v s SER 139 CO 0.10 -2.03 -0.07 -0.54 0.98 0.00 0.00 173.24 171.68 1s9v s LYS 140 N -5.02 0.75 0.58 4.02 -0.14 -1.02 -4.81 119.74 114.10 1s9v s LYS 140 Ca 0.61 -1.15 0.36 0.00 -1.36 0.00 0.00 55.97 54.42 1s9v s LYS 140 Cb -0.16 -0.27 1.69 0.00 -1.68 0.00 0.00 37.83 37.41 1s9v s LYS 140 CO 0.55 0.01 2.11 0.66 -0.76 0.00 0.00 175.35 177.93 1s9v h SER 141 N 3.46 0.00 -0.27 2.83 4.64 -1.99 -0.91 113.55 121.32 1s9v h SER 141 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1s9v h SER 141 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1s9v h SER 141 CO 0.57 0.03 0.00 -0.90 -0.87 0.00 0.00 176.83 175.66 1s9v n ASP 142 N -3.19 1.87 -0.12 4.97 5.75 -1.26 -4.90 116.55 119.66 1s9v n ASP 142 Ca -0.01 -1.86 -0.02 0.00 -0.01 0.00 0.00 54.79 52.90 1s9v n ASP 142 Cb 0.23 -0.18 -0.01 0.00 -1.03 0.00 0.00 41.12 40.13 1s9v n ASP 142 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1s9v n HIS 143 N 0.48 0.00 -2.52 2.11 8.25 -0.34 -5.03 115.22 118.16 1s9v n HIS 143 Ca 0.14 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.47 1s9v n HIS 143 Cb 0.33 -0.78 0.07 0.00 1.12 0.00 0.00 29.99 30.73 1s9v n HIS 143 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1s9v n SER 144 N 0.09 0.85 -4.26 0.41 3.41 -1.26 -4.88 113.62 107.98 1s9v n SER 144 Ca -0.02 -1.70 -0.22 0.00 -0.26 0.00 0.00 58.87 56.67 1s9v n SER 144 Cb 0.16 -0.37 -0.09 0.00 -0.26 0.00 0.00 64.21 63.64 1s9v n SER 144 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1s9v s PHE 145 N -1.68 1.79 -0.02 7.33 0.40 0.14 -2.43 117.98 123.51 1s9v s PHE 145 Ca 0.39 -1.16 -0.07 0.00 -0.60 0.00 0.00 56.93 55.50 1s9v s PHE 145 Cb -0.02 -1.13 0.01 0.00 0.51 0.00 0.00 43.02 42.39 1s9v s PHE 145 CO 0.26 -0.22 0.16 -0.59 0.70 0.00 0.00 175.22 175.53 1s9v s PHE 146 N -3.38 -0.05 0.05 0.36 -0.12 -0.24 0.18 117.98 114.78 1s9v s PHE 146 Ca 0.32 0.10 0.03 0.00 -0.05 0.00 0.00 56.93 57.33 1s9v s PHE 146 Cb 0.06 -0.00 -0.02 0.00 -0.63 0.00 0.00 43.02 42.42 1s9v s PHE 146 CO 0.15 -0.22 -0.09 0.21 -0.05 0.00 0.00 175.22 175.22 1s9v s LYS 147 N -0.82 0.58 -0.04 1.99 2.20 -0.49 0.19 119.74 123.35 1s9v s LYS 147 Ca -0.09 -0.79 0.05 0.00 -0.36 0.00 0.00 55.97 54.78 1s9v s LYS 147 Cb -0.05 -0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 35.87 1s9v s LYS 147 CO 0.01 0.08 -0.20 0.42 -0.36 0.00 0.00 175.35 175.30 1s9v s ILE 148 N -1.35 1.63 0.09 5.43 1.01 -1.26 -1.17 121.20 125.58 1s9v s ILE 148 Ca -0.08 -0.84 0.09 0.00 0.00 0.00 0.00 60.65 59.82 1s9v s ILE 148 Cb -0.10 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1s9v s ILE 148 CO 0.01 0.46 -0.22 -0.55 0.00 0.00 0.00 174.94 174.64 1s9v s SER 149 N -0.10 3.57 -0.02 3.58 0.15 -0.52 -1.30 113.70 119.04 1s9v s SER 149 Ca -0.02 -0.60 0.06 0.00 0.70 0.00 0.00 55.95 56.09 1s9v s SER 149 Cb -0.11 -0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 63.77 1s9v s SER 149 CO 0.02 0.21 -0.19 -0.31 1.20 0.00 0.00 173.24 174.17 1s9v s TYR 150 N -1.02 1.75 -0.10 3.44 2.02 0.16 -1.51 117.35 122.11 1s9v s TYR 150 Ca 0.15 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 1s9v s TYR 150 Cb -0.10 -1.14 0.02 0.00 -0.40 0.00 0.00 41.96 40.34 1s9v s TYR 150 CO 0.06 -0.06 -0.09 -1.17 -1.57 0.00 0.00 175.55 172.72 1s9v s LEU 151 N -0.34 1.36 0.32 -1.29 2.96 -0.43 -1.67 118.68 119.58 1s9v s LEU 151 Ca 0.05 -0.30 -0.23 0.00 -0.22 0.00 0.00 54.13 53.42 1s9v s LEU 151 Cb -0.08 -0.84 -0.10 0.00 0.50 0.00 0.00 46.19 45.67 1s9v s LEU 151 CO 0.00 -0.07 0.88 0.42 -1.32 0.00 0.00 176.35 176.26 1s9v s THR 152 N 1.34 4.36 0.17 3.68 -4.23 -0.60 0.39 115.64 120.75 1s9v s THR 152 Ca -0.02 1.58 -0.22 0.00 -1.18 0.00 0.00 61.69 61.86 1s9v s THR 152 Cb -0.14 -3.88 0.06 0.00 1.34 0.00 0.00 72.50 69.88 1s9v s THR 152 CO -0.04 0.06 0.58 -1.48 -0.54 0.00 0.00 174.62 173.21 1s9v s LEU 153 N -2.27 -0.42 -0.31 4.79 -0.00 -0.81 -4.90 118.68 114.75 1s9v s LEU 153 Ca 0.51 -0.10 -0.01 0.00 -0.00 0.00 0.00 54.13 54.53 1s9v s LEU 153 Cb -0.16 2.51 0.06 0.00 -0.00 0.00 0.00 46.19 48.60 1s9v s LEU 153 CO 0.21 -0.99 0.02 -0.22 -0.00 0.00 0.00 176.35 175.37 1s9v s LEU 154 N -2.77 4.07 0.19 1.48 2.96 -1.26 -0.58 118.68 122.76 1s9v s LEU 154 Ca 0.02 -1.43 -0.33 0.00 -0.22 0.00 0.00 54.13 52.18 1s9v s LEU 154 Cb -0.01 -1.71 -0.14 0.00 0.50 0.00 0.00 46.19 44.83 1s9v s LEU 154 CO -0.11 -0.29 1.47 -2.65 -1.32 0.00 0.00 176.35 173.45 1s9v n PRO 155 N 4.58 1.99 -3.89 0.98 -0.02 -1.26 -4.86 135.00 132.52 1s9v n PRO 155 Ca -0.11 0.71 -0.09 0.00 -2.02 0.00 0.00 63.50 62.00 1s9v n PRO 155 Cb 0.43 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.46 1s9v n PRO 155 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1s9v s SER 156 N 0.57 -0.19 0.00 2.55 0.01 -1.26 -2.21 113.70 113.17 1s9v s SER 156 Ca 0.74 -0.71 0.16 0.00 1.31 0.00 0.00 55.95 57.45 1s9v s SER 156 Cb -0.69 0.63 0.53 0.00 0.21 0.00 0.00 66.02 66.70 1s9v s SER 156 CO 0.44 -1.19 1.40 0.00 0.41 0.00 0.00 173.24 174.31 1s9v n ALA 157 N -0.40 2.48 0.75 1.44 0.00 -1.26 -3.88 120.51 119.64 1s9v n ALA 157 Ca -0.05 -0.57 0.09 0.00 0.00 0.00 0.00 53.44 52.91 1s9v n ALA 157 Cb 0.61 -1.03 0.06 0.00 0.00 0.00 0.00 19.45 19.09 1s9v n ALA 157 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s9v n GLU 158 N 0.43 1.53 -4.34 0.00 1.02 -1.26 -4.98 120.64 113.04 1s9v n GLU 158 Ca 0.14 -1.40 -0.18 0.00 -0.02 0.00 0.00 57.16 55.69 1s9v n GLU 158 Cb 0.31 -1.34 -0.15 0.00 -0.02 0.00 0.00 31.44 30.25 1s9v n GLU 158 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1s9v s GLU 159 N -1.61 0.72 0.11 3.49 2.02 -1.25 -4.99 118.70 117.19 1s9v s GLU 159 Ca 0.19 -0.30 0.07 0.00 0.02 0.00 0.00 54.97 54.96 1s9v s GLU 159 Cb 0.15 -0.69 -0.04 0.00 0.10 0.00 0.00 34.13 33.65 1s9v s GLU 159 CO 0.27 0.17 -0.17 -1.54 0.02 0.00 0.00 175.26 174.00 1s9v s SER 160 N -0.12 2.27 0.27 -0.19 1.04 -1.26 -4.64 113.70 111.07 1s9v s SER 160 Ca 0.02 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 55.75 1s9v s SER 160 Cb -0.04 -0.11 -0.06 0.00 0.10 0.00 0.00 66.02 65.91 1s9v s SER 160 CO -0.00 -0.04 0.03 -0.31 0.98 0.00 0.00 173.24 173.90 1s9v s TYR 161 N -1.61 1.71 -0.06 5.02 1.51 0.46 -1.04 117.35 123.34 1s9v s TYR 161 Ca 0.07 -0.96 -0.10 0.00 -1.01 0.00 0.00 57.07 55.08 1s9v s TYR 161 Cb -0.08 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.76 1s9v s TYR 161 CO 0.04 -0.05 0.25 -0.51 -1.11 0.00 0.00 175.55 174.17 1s9v s ASP 162 N -3.37 -0.20 -0.21 2.29 1.01 -0.73 -0.33 116.67 115.13 1s9v s ASP 162 Ca 0.32 0.32 -0.11 0.00 0.71 0.00 0.00 52.55 53.79 1s9v s ASP 162 Cb 0.07 0.43 -0.05 0.00 1.01 0.00 0.00 42.92 44.38 1s9v s ASP 162 CO 0.12 -0.20 0.18 0.00 0.21 0.00 0.00 175.17 175.47 1s9v s LYS 164 N 0.62 3.53 -0.12 0.00 2.20 0.21 -0.91 119.74 125.27 1s9v s LYS 164 Ca 0.10 -0.55 0.02 0.00 -0.36 0.00 0.00 55.97 55.18 1s9v s LYS 164 Cb -0.12 -3.09 -0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1s9v s LYS 164 CO 0.01 -0.10 -0.20 0.08 -0.36 0.00 0.00 175.35 174.79 1s9v s VAL 165 N 1.27 2.34 -0.17 4.02 1.01 0.51 -0.52 120.40 128.86 1s9v s VAL 165 Ca 0.04 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 1s9v s VAL 165 Cb -0.15 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1s9v s VAL 165 CO 0.00 0.54 -0.14 -1.61 0.00 0.00 0.00 175.10 173.90 1s9v s GLU 166 N 0.53 3.20 -0.04 2.72 2.02 0.08 -0.75 118.70 126.45 1s9v s GLU 166 Ca -0.13 -0.74 -0.14 0.00 0.02 0.00 0.00 54.97 53.99 1s9v s GLU 166 Cb -0.17 -2.69 0.02 0.00 0.10 0.00 0.00 34.13 31.40 1s9v s GLU 166 CO 0.05 -0.08 0.31 -1.58 0.02 0.00 0.00 175.26 173.98 1s9v s HIS 167 N 1.05 -0.22 0.54 1.61 2.46 -1.26 -1.82 115.29 117.64 1s9v s HIS 167 Ca -0.01 0.42 0.21 0.00 0.47 0.00 0.00 55.06 56.15 1s9v s HIS 167 Cb -0.15 0.10 1.39 0.00 -0.13 0.00 0.00 32.58 33.80 1s9v s HIS 167 CO -0.04 -0.33 2.10 -1.49 -2.47 0.00 0.00 174.74 172.52 1s9v h TRP 168 N 4.36 0.00 -0.00 3.88 6.55 -1.92 0.37 115.95 129.18 1s9v h TRP 168 Ca -0.29 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.55 1s9v h TRP 168 Cb 1.18 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.48 1s9v h TRP 168 CO 0.49 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 178.29 1s9v n GLY 169 N -1.54 -0.96 3.21 1.49 0.00 -1.26 -4.67 105.19 101.45 1s9v n GLY 169 Ca 0.02 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1s9v n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s9v s LEU 170 N -1.52 2.18 0.04 0.99 1.43 0.12 -4.57 118.68 117.35 1s9v s LEU 170 Ca 0.25 -0.56 -0.28 0.00 -1.03 0.00 0.00 54.13 52.51 1s9v s LEU 170 Cb 0.12 -1.46 -0.17 0.00 0.03 0.00 0.00 46.19 44.71 1s9v s LEU 170 CO 0.19 0.11 1.41 -2.24 0.23 0.00 0.00 176.35 176.06 1s9v h ASP 171 N 7.08 -0.52 -3.23 2.29 3.04 -1.83 -3.43 116.42 119.81 1s9v h ASP 171 Ca -0.27 -0.06 -0.64 0.00 -3.24 0.00 0.00 57.03 52.81 1s9v h ASP 171 Cb 1.21 0.13 -0.16 0.00 -1.04 0.00 0.00 39.33 39.48 1s9v h ASP 171 CO 0.53 -0.24 -0.75 -0.54 -2.04 0.00 0.00 179.24 176.20 1s9v s LYS 172 N -5.32 1.95 0.28 4.15 1.02 -1.26 -5.08 119.74 115.48 1s9v s LYS 172 Ca -0.15 -1.25 -0.30 0.00 0.02 0.00 0.00 55.97 54.29 1s9v s LYS 172 Cb 0.03 -2.13 -0.13 0.00 -0.52 0.00 0.00 37.83 35.07 1s9v s LYS 172 CO 0.57 0.45 1.31 -2.30 -0.92 0.00 0.00 175.35 174.46 1s9v n PRO 173 N 0.29 1.95 -3.26 -1.68 -0.02 -1.26 -4.93 135.00 126.09 1s9v n PRO 173 Ca -0.12 0.69 -0.38 0.00 -2.02 0.00 0.00 63.50 61.66 1s9v n PRO 173 Cb 0.55 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 1s9v n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1s9v s LEU 174 N -0.23 4.37 -0.10 2.45 0.20 0.07 -4.90 118.68 120.53 1s9v s LEU 174 Ca 0.63 1.02 0.04 0.00 0.69 0.00 0.00 54.13 56.51 1s9v s LEU 174 Cb -0.64 -2.82 -0.00 0.00 -0.43 0.00 0.00 46.19 42.30 1s9v s LEU 174 CO 0.55 0.07 -0.23 -0.76 -0.29 0.00 0.00 176.35 175.70 1s9v s LEU 175 N 0.07 2.14 -0.21 -0.68 2.01 -1.26 -0.36 118.68 120.39 1s9v s LEU 175 Ca 0.29 -0.54 0.01 0.00 0.01 0.00 0.00 54.13 53.91 1s9v s LEU 175 Cb -0.17 -1.42 0.03 0.00 0.01 0.00 0.00 46.19 44.64 1s9v s LEU 175 CO 0.14 0.17 -0.16 -0.75 1.01 0.00 0.00 176.35 176.76 1s9v s LYS 176 N 0.30 2.73 0.31 1.70 2.47 -0.09 -4.92 119.74 122.24 1s9v s LYS 176 Ca -0.17 -1.01 -0.21 0.00 -1.56 0.00 0.00 55.97 53.01 1s9v s LYS 176 Cb -0.18 -2.71 -0.09 0.00 -1.46 0.00 0.00 37.83 33.40 1s9v s LYS 176 CO 0.08 -0.34 0.84 -1.58 0.16 0.00 0.00 175.35 174.51 1s9v s HIS 177 N 1.23 3.57 -0.13 4.03 5.65 -1.26 -0.32 115.29 128.06 1s9v s HIS 177 Ca 0.00 1.53 -0.10 0.00 0.25 0.00 0.00 55.06 56.75 1s9v s HIS 177 Cb -0.16 -2.75 0.04 0.00 -1.18 0.00 0.00 32.58 28.54 1s9v s HIS 177 CO -0.10 0.18 0.33 -0.46 -0.65 0.00 0.00 174.74 174.05 1s9v s TRP 178 N -1.73 -0.40 -0.11 3.88 -0.00 0.55 -4.92 118.94 116.21 1s9v s TRP 178 Ca 0.50 0.94 -0.18 0.00 -0.00 0.00 0.00 56.10 57.36 1s9v s TRP 178 Cb -0.15 0.14 0.04 0.00 -0.00 0.00 0.00 33.47 33.50 1s9v s TRP 178 CO 0.20 -0.22 0.46 -1.83 -0.00 0.00 0.00 176.95 175.56 1s9v s GLU 179 N 0.61 0.68 0.00 5.86 -1.05 -1.26 -0.40 118.70 123.14 1s9v s GLU 179 Ca -0.04 0.33 0.16 0.00 -0.15 0.00 0.00 54.97 55.27 1s9v s GLU 179 Cb -0.05 0.32 0.96 0.00 -0.44 0.00 0.00 34.13 34.92 1s9v s GLU 179 CO -0.04 -0.15 1.37 -0.35 0.95 0.00 0.00 175.26 177.05