#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9v s PRO 4 N 0.00 4.18 -0.14 4.33 0.02 -1.26 -5.01 135.00 137.12 1s9v s PRO 4 Ca 0.00 1.50 -0.23 0.00 0.02 0.00 0.00 61.00 62.29 1s9v s PRO 4 Cb 0.00 -2.55 -0.03 0.00 0.02 0.00 0.00 34.50 31.95 1s9v s PRO 4 CO 0.00 -0.13 0.72 -1.83 -0.33 0.00 0.00 177.00 175.43 1s9v s GLU 5 N -2.49 4.33 0.00 5.54 -1.05 -1.26 -5.04 118.70 118.72 1s9v s GLU 5 Ca 0.58 0.85 0.03 0.00 -0.15 0.00 0.00 54.97 56.27 1s9v s GLU 5 Cb -0.22 -3.53 -0.03 0.00 -0.44 0.00 0.00 34.13 29.91 1s9v s GLU 5 CO 0.27 -0.15 -0.06 0.34 0.95 0.00 0.00 175.26 176.61 1s9v s ASP 6 N 1.03 4.67 -0.16 0.83 3.68 -1.26 -5.11 116.67 120.34 1s9v s ASP 6 Ca 0.35 -0.13 0.01 0.00 2.13 0.00 0.00 52.55 54.91 1s9v s ASP 6 Cb -0.17 -1.10 0.01 0.00 -1.45 0.00 0.00 42.92 40.21 1s9v s ASP 6 CO 0.14 0.28 -0.17 -0.36 0.13 0.00 0.00 175.17 175.19 1s9v s PHE 7 N -1.00 2.77 -0.00 -5.34 0.08 -1.26 -5.08 117.98 108.15 1s9v s PHE 7 Ca 0.17 -1.26 0.08 0.00 0.12 0.00 0.00 56.93 56.04 1s9v s PHE 7 Cb -0.11 -1.90 -0.02 0.00 -0.57 0.00 0.00 43.02 40.42 1s9v s PHE 7 CO 0.08 -0.60 -0.26 0.08 -0.10 0.00 0.00 175.22 174.42 1s9v s VAL 8 N 1.00 2.04 -0.04 -0.44 1.01 -1.26 -5.01 120.40 117.70 1s9v s VAL 8 Ca -0.02 -1.17 0.05 0.00 0.00 0.00 0.00 61.98 60.84 1s9v s VAL 8 Cb -0.15 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 1s9v s VAL 8 CO -0.04 0.52 -0.18 -0.47 0.00 0.00 0.00 175.10 174.92 1s9v s TYR 9 N -0.65 1.78 -0.01 5.22 5.04 -1.26 0.88 117.35 128.35 1s9v s TYR 9 Ca 0.10 -0.51 0.03 0.00 -2.44 0.00 0.00 57.07 54.25 1s9v s TYR 9 Cb -0.10 -1.19 -0.01 0.00 0.35 0.00 0.00 41.96 41.01 1s9v s TYR 9 CO -0.00 -0.17 -0.09 -0.65 -1.34 0.00 0.00 175.55 173.30 1s9v s GLN 10 N 0.00 0.75 -0.06 4.97 -0.21 0.49 -4.97 119.66 120.63 1s9v s GLN 10 Ca -0.03 -0.32 0.00 0.00 0.02 0.00 0.00 55.36 55.02 1s9v s GLN 10 Cb -0.12 -0.72 0.02 0.00 1.00 0.00 0.00 33.01 33.20 1s9v s GLN 10 CO 0.02 0.19 -0.03 0.12 -2.12 0.00 0.00 175.29 173.47 1s9v s PHE 11 N -0.19 0.84 -0.15 0.91 5.36 -1.26 0.12 117.98 123.61 1s9v s PHE 11 Ca 0.03 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 55.74 1s9v s PHE 11 Cb -0.04 -0.80 0.02 0.00 -0.34 0.00 0.00 43.02 41.86 1s9v s PHE 11 CO -0.00 -0.29 -0.18 0.15 -1.46 0.00 0.00 175.22 173.45 1s9v s LYS 12 N 1.39 2.63 -1.13 10.12 1.02 -0.46 -4.98 119.74 128.33 1s9v s LYS 12 Ca -0.03 -0.70 -0.09 0.00 0.02 0.00 0.00 55.97 55.17 1s9v s LYS 12 Cb -0.13 -2.26 0.27 0.00 -0.52 0.00 0.00 37.83 35.18 1s9v s LYS 12 CO -0.03 -0.15 1.17 0.41 -0.92 0.00 0.00 175.35 175.83 1s9v n GLY 13 N 4.47 4.17 3.84 -3.33 0.00 -1.26 -1.02 105.19 112.06 1s9v n GLY 13 Ca -0.19 -2.53 -0.33 0.00 0.00 0.00 0.00 46.02 42.97 1s9v n GLY 13 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s9v s MET 14 N -1.06 4.11 -0.05 1.61 1.00 -0.55 -4.95 119.30 119.42 1s9v s MET 14 Ca 0.32 0.82 0.01 0.00 0.00 0.00 0.00 55.69 56.84 1s9v s MET 14 Cb -0.09 -2.45 0.02 0.00 0.00 0.00 0.00 34.83 32.31 1s9v s MET 14 CO -0.06 0.15 -0.04 0.00 0.00 0.00 0.00 175.02 175.07 1s9v s TYR 16 N 0.96 2.80 0.06 0.00 1.51 0.14 -4.98 117.35 117.84 1s9v s TYR 16 Ca -0.10 -0.53 0.08 0.00 -1.01 0.00 0.00 57.07 55.51 1s9v s TYR 16 Cb -0.14 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.87 1s9v s TYR 16 CO -0.00 -0.12 -0.23 -0.06 -1.11 0.00 0.00 175.55 174.03 1s9v s PHE 17 N 0.14 1.98 -0.16 2.71 0.08 -1.26 -1.00 117.98 120.46 1s9v s PHE 17 Ca -0.06 -0.39 -0.13 0.00 0.12 0.00 0.00 56.93 56.46 1s9v s PHE 17 Cb -0.15 -1.16 0.05 0.00 -0.57 0.00 0.00 43.02 41.19 1s9v s PHE 17 CO 0.05 0.13 0.42 0.99 -0.10 0.00 0.00 175.22 176.71 1s9v s THR 18 N -0.86 -0.01 -1.11 0.64 2.01 -0.79 -4.93 115.64 110.60 1s9v s THR 18 Ca 0.09 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.00 1s9v s THR 18 Cb -0.09 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1s9v s THR 18 CO 0.02 0.01 0.86 0.59 -0.69 0.00 0.00 174.62 175.41 1s9v n ASN 19 N 3.21 -5.62 0.00 3.53 3.02 -1.26 -2.24 115.26 115.89 1s9v n ASN 19 Ca -0.16 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1s9v n ASN 19 Cb 0.57 -4.38 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 1s9v n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s9v n GLY 20 N -1.44 3.13 1.42 7.41 0.00 -1.26 -1.78 105.19 112.67 1s9v n GLY 20 Ca -0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 1s9v n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s9v n THR 21 N 0.00 2.65 -0.03 2.61 -2.24 -1.26 -4.56 114.28 111.45 1s9v n THR 21 Ca 0.00 -2.12 -0.14 0.00 -2.27 0.00 0.00 64.05 59.52 1s9v n THR 21 Cb 0.00 -0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 67.80 1s9v n THR 21 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1s9v h GLU 22 N 1.67 0.18 -4.85 -0.78 5.08 -1.43 -3.41 114.58 111.04 1s9v h GLU 22 Ca 0.22 -0.14 -0.67 0.00 -1.00 0.00 0.00 59.36 57.77 1s9v h GLU 22 Cb 1.91 0.03 -0.28 0.00 0.50 0.00 0.00 28.75 30.91 1s9v h GLU 22 CO 0.51 0.77 -0.66 1.03 -1.00 0.00 0.00 179.01 179.67 1s9v s ARG 23 N -3.69 3.06 -0.05 2.33 3.00 -0.95 -5.05 118.95 117.60 1s9v s ARG 23 Ca -0.15 -0.86 0.01 0.00 0.00 0.00 0.00 55.73 54.72 1s9v s ARG 23 Cb 0.02 -3.25 0.02 0.00 0.00 0.00 0.00 34.95 31.74 1s9v s ARG 23 CO 0.73 -0.41 -0.04 0.08 0.00 0.00 0.00 175.30 175.66 1s9v s VAL 24 N 1.46 0.54 -0.09 3.52 1.01 -1.26 -1.88 120.40 123.69 1s9v s VAL 24 Ca 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1s9v s VAL 24 Cb -0.17 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.65 1s9v s VAL 24 CO 0.00 0.24 -0.10 -0.60 0.00 0.00 0.00 175.10 174.64 1s9v s ARG 25 N 1.09 1.65 -0.14 2.72 3.52 -0.17 -4.96 118.95 122.66 1s9v s ARG 25 Ca -0.08 -0.35 -0.07 0.00 -0.13 0.00 0.00 55.73 55.09 1s9v s ARG 25 Cb -0.14 -1.50 -0.04 0.00 -1.56 0.00 0.00 34.95 31.71 1s9v s ARG 25 CO -0.01 -0.10 0.11 -1.17 -0.81 0.00 0.00 175.30 173.32 1s9v s LEU 26 N 1.12 4.17 -0.15 -0.88 0.20 -1.26 0.25 118.68 122.13 1s9v s LEU 26 Ca -0.06 0.33 -0.04 0.00 0.69 0.00 0.00 54.13 55.05 1s9v s LEU 26 Cb -0.14 -2.03 0.05 0.00 -0.43 0.00 0.00 46.19 43.65 1s9v s LEU 26 CO -0.02 0.33 0.08 -0.69 -0.29 0.00 0.00 176.35 175.77 1s9v s VAL 27 N -0.56 -0.07 -0.12 1.68 1.01 0.14 -0.49 120.40 121.99 1s9v s VAL 27 Ca 0.12 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 1s9v s VAL 27 Cb -0.12 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 1s9v s VAL 27 CO 0.02 -0.19 0.26 -0.94 0.00 0.00 0.00 175.10 174.25 1s9v s SER 28 N 2.13 6.48 -0.12 3.32 1.04 -0.51 -1.48 113.70 124.56 1s9v s SER 28 Ca 0.02 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1s9v s SER 28 Cb -0.15 -2.16 0.02 0.00 0.10 0.00 0.00 66.02 63.83 1s9v s SER 28 CO -0.08 0.23 -0.11 -0.13 0.98 0.00 0.00 173.24 174.14 1s9v s ARG 29 N -0.26 1.88 -0.32 4.02 0.52 -0.19 -1.88 118.95 122.73 1s9v s ARG 29 Ca 0.17 -0.40 -0.13 0.00 -0.52 0.00 0.00 55.73 54.85 1s9v s ARG 29 Cb -0.13 -1.79 -0.03 0.00 0.52 0.00 0.00 34.95 33.52 1s9v s ARG 29 CO 0.05 -0.22 0.24 -1.12 0.02 0.00 0.00 175.30 174.27 1s9v s SER 30 N 1.50 6.07 -0.12 0.23 0.01 -0.75 -1.36 113.70 119.28 1s9v s SER 30 Ca 0.03 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.07 1s9v s SER 30 Cb -0.13 -2.14 -0.01 0.00 0.21 0.00 0.00 66.02 63.94 1s9v s SER 30 CO -0.08 -0.18 -0.14 -0.63 0.41 0.00 0.00 173.24 172.63 1s9v s ILE 31 N 1.78 2.98 -0.32 1.44 -1.09 0.32 -0.92 121.20 125.39 1s9v s ILE 31 Ca 0.07 -0.69 -0.11 0.00 -2.23 0.00 0.00 60.65 57.70 1s9v s ILE 31 Cb -0.17 -2.24 -0.01 0.00 -1.58 0.00 0.00 42.46 38.46 1s9v s ILE 31 CO 0.11 0.53 0.18 -0.47 -1.23 0.00 0.00 174.94 174.06 1s9v s TYR 32 N 0.31 3.19 0.00 3.97 5.04 -0.33 -0.38 117.35 129.15 1s9v s TYR 32 Ca -0.11 -0.45 0.00 0.00 -2.44 0.00 0.00 57.07 54.07 1s9v s TYR 32 Cb -0.16 -2.39 0.00 0.00 0.35 0.00 0.00 41.96 39.76 1s9v s TYR 32 CO 0.06 -0.42 0.00 0.09 -1.34 0.00 0.00 175.55 173.94 1s9v n ASN 33 N 5.02 0.00 -0.01 4.32 3.02 0.25 -0.88 115.26 126.99 1s9v n ASN 33 Ca -0.13 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.42 1s9v n ASN 33 Cb 0.49 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.67 1s9v n ASN 33 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1s9v n ARG 34 N 0.00 2.39 -4.26 3.52 1.74 -1.26 -4.79 116.66 114.01 1s9v n ARG 34 Ca 0.00 -1.40 -0.34 0.00 -0.77 0.00 0.00 57.85 55.34 1s9v n ARG 34 Cb 0.00 -0.94 -0.14 0.00 -1.02 0.00 0.00 32.46 30.36 1s9v n ARG 34 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1s9v s GLU 35 N -0.93 3.41 -0.04 5.56 -1.05 -0.06 -5.07 118.70 120.52 1s9v s GLU 35 Ca 0.02 -0.63 -0.30 0.00 -0.15 0.00 0.00 54.97 53.91 1s9v s GLU 35 Cb 0.02 -2.86 -0.05 0.00 -0.44 0.00 0.00 34.13 30.79 1s9v s GLU 35 CO 0.00 -0.00 1.52 -2.00 0.95 0.00 0.00 175.26 175.73 1s9v s GLU 36 N 0.95 4.22 -0.16 -4.83 2.12 -1.26 -1.19 118.70 118.56 1s9v s GLU 36 Ca -0.01 2.06 0.13 0.00 0.36 0.00 0.00 54.97 57.51 1s9v s GLU 36 Cb -0.15 -3.78 -0.19 0.00 0.26 0.00 0.00 34.13 30.28 1s9v s GLU 36 CO 0.00 -0.73 0.05 0.44 -0.54 0.00 0.00 175.26 174.48 1s9v n ILE 37 N 5.12 1.07 -4.08 -3.70 -5.35 -0.10 -4.14 119.36 108.18 1s9v n ILE 37 Ca 0.15 -0.65 -0.14 0.00 -0.27 0.00 0.00 62.75 61.84 1s9v n ILE 37 Cb 0.43 -0.60 -0.13 0.00 -1.74 0.00 0.00 39.64 37.60 1s9v n ILE 37 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1s9v s VAL 38 N -2.38 0.43 -0.06 7.28 1.01 -1.20 -0.42 120.40 125.06 1s9v s VAL 38 Ca -0.08 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 1s9v s VAL 38 Cb 0.05 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 36.00 1s9v s VAL 38 CO 0.63 -0.20 0.33 -0.60 0.00 0.00 0.00 175.10 175.26 1s9v s ARG 39 N -0.99 0.58 -0.24 2.72 3.52 0.13 -1.81 118.95 122.85 1s9v s ARG 39 Ca -0.06 0.07 0.01 0.00 -0.13 0.00 0.00 55.73 55.62 1s9v s ARG 39 Cb -0.07 0.26 0.06 0.00 -1.56 0.00 0.00 34.95 33.65 1s9v s ARG 39 CO 0.00 -0.14 -0.06 0.12 -0.81 0.00 0.00 175.30 174.41 1s9v s PHE 40 N -0.76 2.63 -0.27 5.12 5.36 -0.79 -0.09 117.98 129.18 1s9v s PHE 40 Ca -0.09 -1.93 -0.08 0.00 -0.96 0.00 0.00 56.93 53.88 1s9v s PHE 40 Cb -0.04 -1.70 -0.02 0.00 -0.34 0.00 0.00 43.02 40.92 1s9v s PHE 40 CO 0.03 -0.81 0.10 0.34 -1.46 0.00 0.00 175.22 173.42 1s9v s ASP 41 N 1.31 5.29 0.61 6.13 -1.08 -1.26 -1.42 116.67 126.26 1s9v s ASP 41 Ca -0.06 -0.30 0.32 0.00 -0.52 0.00 0.00 52.55 51.99 1s9v s ASP 41 Cb -0.19 -1.95 1.85 0.00 -1.46 0.00 0.00 42.92 41.17 1s9v s ASP 41 CO -0.06 -0.08 2.18 0.77 0.52 0.00 0.00 175.17 178.49 1s9v h SER 42 N 8.27 0.00 0.71 -0.34 4.64 -1.16 0.27 113.55 125.94 1s9v h SER 42 Ca -0.36 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.85 1s9v h SER 42 Cb 1.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 1s9v h SER 42 CO 0.59 0.00 -0.52 0.44 -0.87 0.00 0.00 176.83 176.46 1s9v h ASP 43 N 0.00 0.00 0.14 4.97 3.32 -1.93 -3.23 116.42 119.69 1s9v h ASP 43 Ca 0.04 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.75 1s9v h ASP 43 Cb 0.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1s9v h ASP 43 CO -0.00 0.52 -1.80 0.58 -1.72 0.00 0.00 179.24 176.82 1s9v h VAL 44 N 0.00 0.79 0.00 -1.35 2.07 -0.99 -3.49 116.25 113.29 1s9v h VAL 44 Ca -0.01 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.12 1s9v h VAL 44 Cb 1.02 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 1s9v h VAL 44 CO 0.07 0.83 0.00 0.61 0.02 0.00 0.00 177.57 179.10 1s9v n GLY 45 N 1.89 0.69 3.52 2.17 0.00 0.10 -5.04 105.19 108.52 1s9v n GLY 45 Ca -0.29 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 1s9v n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s9v s GLU 46 N -0.62 1.40 0.35 1.61 -1.05 -1.26 -4.95 118.70 114.18 1s9v s GLU 46 Ca 0.00 -1.05 -0.27 0.00 -0.15 0.00 0.00 54.97 53.51 1s9v s GLU 46 Cb 0.00 0.48 -0.09 0.00 -0.44 0.00 0.00 34.13 34.08 1s9v s GLU 46 CO 0.00 -0.58 1.11 -0.06 0.95 0.00 0.00 175.26 176.68 1s9v s PHE 47 N -3.94 3.34 -0.02 4.83 0.08 -1.26 -4.21 117.98 116.80 1s9v s PHE 47 Ca 0.15 1.64 0.00 0.00 0.12 0.00 0.00 56.93 58.84 1s9v s PHE 47 Cb -0.00 -3.27 0.03 0.00 -0.57 0.00 0.00 43.02 39.20 1s9v s PHE 47 CO 0.02 -0.80 0.01 1.03 -0.10 0.00 0.00 175.22 175.37 1s9v s ARG 48 N -2.01 0.20 0.29 0.44 1.81 0.87 -4.91 118.95 115.64 1s9v s ARG 48 Ca 0.52 0.09 -0.29 0.00 -1.72 0.00 0.00 55.73 54.34 1s9v s ARG 48 Cb -0.29 -0.39 -0.09 0.00 -0.45 0.00 0.00 34.95 33.72 1s9v s ARG 48 CO 0.36 -0.13 1.07 0.00 -0.68 0.00 0.00 175.30 175.93 1s9v s ALA 49 N 0.95 3.36 -0.41 2.13 0.00 -1.26 -0.69 121.76 125.84 1s9v s ALA 49 Ca -0.09 0.84 0.18 0.00 0.00 0.00 0.00 51.96 52.89 1s9v s ALA 49 Cb -0.13 -3.31 -0.24 0.00 0.00 0.00 0.00 23.12 19.45 1s9v s ALA 49 CO -0.02 -0.12 0.57 1.55 0.00 0.00 0.00 175.76 177.74 1s9v n VAL 50 N 1.08 0.00 -3.91 0.00 3.14 0.43 -4.90 118.33 114.17 1s9v n VAL 50 Ca -0.01 -0.26 -0.09 0.00 -2.96 0.00 0.00 64.34 61.02 1s9v n VAL 50 Cb 0.46 0.52 -0.09 0.00 -1.06 0.00 0.00 33.84 33.66 1s9v n VAL 50 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1s9v s THR 51 N -2.99 0.13 0.54 1.55 -4.23 -1.19 -4.97 115.64 104.49 1s9v s THR 51 Ca -0.00 -1.10 0.37 0.00 -1.18 0.00 0.00 61.69 59.78 1s9v s THR 51 Cb 0.13 -1.00 0.55 0.00 1.34 0.00 0.00 72.50 73.52 1s9v s THR 51 CO 0.75 -0.60 1.81 -0.07 -0.54 0.00 0.00 174.62 175.96 1s9v h LEU 52 N 3.44 0.00 -1.64 4.79 3.38 -1.93 0.13 115.31 123.48 1s9v h LEU 52 Ca -0.33 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1s9v h LEU 52 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1s9v h LEU 52 CO 0.52 0.00 0.16 0.25 0.09 0.00 0.00 178.44 179.46 1s9v h LEU 53 N 0.00 0.35 -0.57 1.67 5.85 -1.96 -2.71 115.31 117.94 1s9v h LEU 53 Ca 0.56 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.27 1s9v h LEU 53 Cb 2.27 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 43.21 1s9v h LEU 53 CO -0.01 0.29 -0.29 0.61 -0.34 0.00 0.00 178.44 178.71 1s9v n GLY 54 N -1.40 -0.51 0.28 3.75 0.00 0.45 -4.51 105.19 103.26 1s9v n GLY 54 Ca 0.01 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 1s9v n GLY 54 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s9v h LEU 55 N 1.40 -0.81 -0.01 0.99 5.85 -1.50 -0.38 115.31 120.85 1s9v h LEU 55 Ca 0.00 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1s9v h LEU 55 Cb 0.54 0.37 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 1s9v h LEU 55 CO 0.00 -0.29 -0.25 -0.65 -0.34 0.00 0.00 178.44 176.91 1s9v h PRO 56 N -0.27 -0.37 -0.54 5.25 0.11 -1.80 -0.79 132.00 133.60 1s9v h PRO 56 Ca 0.13 0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.32 1s9v h PRO 56 Cb 0.47 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.62 1s9v h PRO 56 CO -0.38 -0.24 0.27 0.00 -0.21 0.00 0.00 178.00 177.43 1s9v h ALA 57 N 0.46 0.70 -0.23 -0.75 0.00 -1.79 -1.33 119.26 116.32 1s9v h ALA 57 Ca 0.06 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1s9v h ALA 57 Cb 0.47 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1s9v h ALA 57 CO -0.23 -0.08 0.14 0.00 0.00 0.00 0.00 179.25 179.08 1s9v h ALA 58 N 1.30 0.29 -0.60 0.00 0.00 -0.71 -1.16 119.26 118.38 1s9v h ALA 58 Ca 0.24 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1s9v h ALA 58 Cb 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1s9v h ALA 58 CO -0.18 -0.26 0.23 0.93 0.00 0.00 0.00 179.25 179.97 1s9v h GLU 59 N 0.28 0.91 0.53 0.00 5.08 -0.90 -2.36 114.58 118.11 1s9v h GLU 59 Ca 0.09 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1s9v h GLU 59 Cb -0.00 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.11 1s9v h GLU 59 CO -0.04 0.79 -0.25 -0.92 -1.00 0.00 0.00 179.01 177.58 1s9v h TYR 60 N 0.84 -0.65 -0.22 4.33 3.20 -1.02 -2.78 116.97 120.67 1s9v h TYR 60 Ca 0.20 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.11 1s9v h TYR 60 Cb 0.23 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1s9v h TYR 60 CO 0.01 -0.35 0.15 -1.49 -1.64 0.00 0.00 178.16 174.85 1s9v h TRP 61 N -0.85 0.05 0.00 -3.82 6.55 -1.24 -0.98 115.95 115.65 1s9v h TRP 61 Ca -0.07 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.77 1s9v h TRP 61 Cb 0.60 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.88 1s9v h TRP 61 CO -0.01 0.02 0.00 -0.91 -1.05 0.00 0.00 178.44 176.49 1s9v h ASN 62 N 0.05 0.00 0.41 -3.49 2.35 -1.29 -2.78 115.58 110.82 1s9v h ASN 62 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1s9v h ASN 62 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1s9v h ASN 62 CO -0.01 0.00 -0.23 -1.54 -1.65 0.00 0.00 177.43 174.01 1s9v n SER 63 N -2.59 0.61 -4.31 5.81 3.41 -0.38 -4.63 113.62 111.54 1s9v n SER 63 Ca 0.03 -0.50 -0.46 0.00 -0.26 0.00 0.00 58.87 57.68 1s9v n SER 63 Cb 0.37 0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 1s9v n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1s9v s GLN 64 N -2.64 3.24 0.40 4.33 -1.52 -1.05 -4.94 119.66 117.48 1s9v s GLN 64 Ca 0.22 -2.09 0.11 0.00 -1.95 0.00 0.00 55.36 51.66 1s9v s GLN 64 Cb 0.19 -4.32 0.93 0.00 -0.22 0.00 0.00 33.01 29.59 1s9v s GLN 64 CO 0.54 -1.30 1.94 0.87 -0.25 0.00 0.00 175.29 177.09 1s9v h LYS 65 N 8.29 0.53 -0.33 2.91 1.79 -1.84 -1.06 116.57 126.85 1s9v h LYS 65 Ca -0.10 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1s9v h LYS 65 Cb 1.07 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.58 1s9v h LYS 65 CO 0.89 0.35 0.15 0.38 -1.08 0.00 0.00 179.45 180.14 1s9v h ASP 66 N 0.54 0.43 -0.28 0.86 2.03 -1.94 -0.04 116.42 118.02 1s9v h ASP 66 Ca 0.33 -0.13 -0.05 0.00 -0.73 0.00 0.00 57.03 56.45 1s9v h ASP 66 Cb 0.57 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.95 1s9v h ASP 66 CO -0.11 0.44 -0.04 0.40 -1.03 0.00 0.00 179.24 178.90 1s9v h ILE 67 N 0.39 1.27 -0.72 4.15 1.08 -1.69 -2.46 117.51 119.52 1s9v h ILE 67 Ca 0.11 -1.02 0.07 0.00 -0.39 0.00 0.00 64.86 63.63 1s9v h ILE 67 Cb 0.13 1.38 -0.06 0.00 -3.07 0.00 0.00 36.82 35.20 1s9v h ILE 67 CO -0.01 0.32 0.41 -0.07 -0.69 0.00 0.00 178.15 178.11 1s9v h LEU 68 N 0.28 0.61 -0.39 1.44 3.38 -1.09 -0.98 115.31 118.56 1s9v h LEU 68 Ca 0.07 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1s9v h LEU 68 Cb 0.49 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1s9v h LEU 68 CO 0.02 0.38 0.20 -0.33 0.09 0.00 0.00 178.44 178.80 1s9v h GLU 69 N 0.74 0.39 -0.43 1.13 4.39 -0.82 -0.87 114.58 119.11 1s9v h GLU 69 Ca 0.33 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.86 1s9v h GLU 69 Cb 0.22 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1s9v h GLU 69 CO -0.19 0.26 -0.29 0.00 -1.16 0.00 0.00 179.01 177.63 1s9v h ARG 70 N 0.40 0.93 -0.60 2.33 3.08 -0.97 -2.67 114.38 116.88 1s9v h ARG 70 Ca 0.17 -0.43 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 1s9v h ARG 70 Cb 0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1s9v h ARG 70 CO -0.11 1.09 0.17 -0.22 -1.07 0.00 0.00 179.97 179.83 1s9v h LYS 71 N 0.79 0.94 0.00 0.04 1.63 -0.98 -1.93 116.57 117.05 1s9v h LYS 71 Ca 0.09 -0.21 -0.03 0.00 -0.85 0.00 0.00 60.65 59.65 1s9v h LYS 71 Cb 0.86 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1s9v h LYS 71 CO 0.08 0.84 -0.16 0.00 -3.45 0.00 0.00 179.45 176.76 1s9v h ARG 72 N 0.85 0.00 0.00 1.90 3.08 -1.10 -2.22 114.38 116.89 1s9v h ARG 72 Ca 0.19 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1s9v h ARG 72 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1s9v h ARG 72 CO -0.00 0.16 -0.43 0.00 -1.07 0.00 0.00 179.97 178.63 1s9v h ALA 73 N 1.84 0.79 -0.42 0.04 0.00 -1.08 -3.35 119.26 117.09 1s9v h ALA 73 Ca -0.00 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1s9v h ALA 73 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1s9v h ALA 73 CO 0.02 0.04 0.32 0.00 0.00 0.00 0.00 179.25 179.63 1s9v h ALA 74 N 1.97 2.32 -0.18 0.00 0.00 -0.71 -0.25 119.26 122.41 1s9v h ALA 74 Ca -0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1s9v h ALA 74 Cb 1.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1s9v h ALA 74 CO 0.00 -0.54 0.17 -0.24 0.00 0.00 0.00 179.25 178.64 1s9v h VAL 75 N 0.00 0.64 0.00 0.00 3.04 -1.73 0.50 116.25 118.70 1s9v h VAL 75 Ca 0.20 0.00 -0.34 0.00 -1.01 0.00 0.00 66.70 65.55 1s9v h VAL 75 Cb 0.84 0.87 -0.06 0.00 -2.01 0.00 0.00 31.29 30.93 1s9v h VAL 75 CO -0.00 0.00 -2.30 0.47 -1.01 0.00 0.00 177.57 174.73 1s9v n ASP 76 N -4.07 2.13 0.13 3.17 8.00 -0.23 -1.43 116.55 124.26 1s9v n ASP 76 Ca 0.01 -0.12 -0.01 0.00 0.71 0.00 0.00 54.79 55.39 1s9v n ASP 76 Cb 0.29 -0.29 0.24 0.00 -0.02 0.00 0.00 41.12 41.35 1s9v n ASP 76 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1s9v h ARG 77 N 0.00 0.10 0.00 -1.24 2.43 -0.96 -2.04 114.38 112.67 1s9v h ARG 77 Ca -0.51 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1s9v h ARG 77 Cb 1.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.36 1s9v h ARG 77 CO -0.07 0.55 0.00 0.28 -1.51 0.00 0.00 179.97 179.22 1s9v n VAL 78 N -3.97 0.00 0.29 0.20 0.31 0.17 -4.49 118.33 110.85 1s9v n VAL 78 Ca -0.02 0.24 -0.18 0.00 -0.01 0.00 0.00 64.34 64.37 1s9v n VAL 78 Cb 0.51 -1.20 -0.10 0.00 -0.91 0.00 0.00 33.84 32.14 1s9v n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s9v h ARG 80 N -1.02 0.42 0.46 0.00 3.08 -1.33 -1.64 114.38 114.36 1s9v h ARG 80 Ca -0.06 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 1s9v h ARG 80 Cb 0.88 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1s9v h ARG 80 CO -0.07 0.63 -0.22 1.25 -1.07 0.00 0.00 179.97 180.49 1s9v h HIS 81 N 0.38 -0.58 -0.09 3.04 2.76 -1.21 -2.97 115.15 116.48 1s9v h HIS 81 Ca 0.06 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 1s9v h HIS 81 Cb 0.61 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.75 1s9v h HIS 81 CO 0.02 -0.30 -0.10 -0.91 -1.30 0.00 0.00 177.93 175.33 1s9v h ASN 82 N -0.73 0.13 0.13 3.26 2.35 -0.90 -1.82 115.58 117.99 1s9v h ASN 82 Ca -0.06 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1s9v h ASN 82 Cb 0.53 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 1s9v h ASN 82 CO 0.10 0.25 -0.09 0.22 -1.65 0.00 0.00 177.43 176.26 1s9v h TYR 83 N 0.14 0.00 -0.25 1.19 5.03 -1.15 -0.11 116.97 121.82 1s9v h TYR 83 Ca 0.03 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 1s9v h TYR 83 Cb 0.27 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.54 1s9v h TYR 83 CO 0.00 0.09 0.04 1.96 -1.32 0.00 0.00 178.16 178.93 1s9v h GLN 84 N 0.00 0.41 -0.52 1.82 1.08 -1.19 -0.46 115.11 116.26 1s9v h GLN 84 Ca -0.00 -0.11 0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1s9v h GLN 84 Cb 0.18 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1s9v h GLN 84 CO 0.01 0.54 0.32 -0.07 -0.95 0.00 0.00 178.83 178.69 1s9v h LEU 85 N 0.22 0.54 -1.52 1.46 3.38 -1.22 -1.14 115.31 117.02 1s9v h LEU 85 Ca 0.08 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1s9v h LEU 85 Cb 0.33 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1s9v h LEU 85 CO 0.01 0.38 0.35 -0.33 0.09 0.00 0.00 178.44 178.94 1s9v h GLU 86 N 0.65 0.62 0.00 1.13 4.39 -0.83 -1.42 114.58 119.11 1s9v h GLU 86 Ca 0.20 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 1s9v h GLU 86 Cb -0.02 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1s9v h GLU 86 CO -0.07 0.41 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.05 1s9v h LEU 87 N 0.63 0.00 -1.40 1.33 4.07 0.22 0.34 115.31 120.50 1s9v h LEU 87 Ca 0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1s9v h LEU 87 Cb 0.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1s9v h LEU 87 CO -0.05 0.06 -0.26 0.54 -1.08 0.00 0.00 178.44 177.65 1s9v n ARG 88 N -3.59 1.70 0.00 1.13 1.74 -0.56 -4.58 116.66 112.50 1s9v n ARG 88 Ca -0.02 -1.39 0.00 0.00 -0.77 0.00 0.00 57.85 55.67 1s9v n ARG 88 Cb 0.18 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1s9v n ARG 88 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1s9v n THR 89 N 0.57 0.00 -0.26 0.55 -2.24 -0.61 -4.88 114.28 107.43 1s9v n THR 89 Ca 0.11 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.95 1s9v n THR 89 Cb 0.52 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 68.93 1s9v n THR 89 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1s9v h THR 90 N 0.00 0.42 0.00 4.28 2.02 -1.72 0.15 112.91 118.06 1s9v h THR 90 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1s9v h THR 90 Cb 0.00 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1s9v h THR 90 CO 0.00 0.04 0.00 0.18 0.37 0.00 0.00 175.52 176.11 1s9v n LEU 91 N -5.24 0.00 -0.00 2.58 4.77 0.01 -2.35 117.00 116.78 1s9v n LEU 91 Ca 0.15 0.42 0.09 0.00 -0.03 0.00 0.00 56.01 56.64 1s9v n LEU 91 Cb 0.49 -0.42 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 1s9v n LEU 91 CO 0.09 -0.16 -0.05 0.00 -1.33 0.00 0.00 177.39 175.94 1s9v n GLN 92 N -1.42 0.69 -1.72 3.23 6.02 0.46 -4.96 117.38 119.69 1s9v n GLN 92 Ca 0.06 -0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.63 1s9v n GLN 92 Cb 0.19 -1.40 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 1s9v n GLN 92 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1s9v s ARG 93 N -2.81 4.13 -0.20 -1.09 3.52 -0.91 -4.97 118.95 116.62 1s9v s ARG 93 Ca 0.07 2.61 -0.04 0.00 -0.13 0.00 0.00 55.73 58.24 1s9v s ARG 93 Cb 0.14 -3.40 0.09 0.00 -1.56 0.00 0.00 34.95 30.22 1s9v s ARG 93 CO 0.78 -0.81 0.22 1.03 -0.81 0.00 0.00 175.30 175.71 1s9v s ARG 94 N 2.16 0.19 -0.24 5.12 0.52 -1.26 -4.12 118.95 121.32 1s9v s ARG 94 Ca 0.79 0.23 -0.04 0.00 -0.52 0.00 0.00 55.73 56.18 1s9v s ARG 94 Cb -0.47 -1.16 -0.00 0.00 0.52 0.00 0.00 34.95 33.84 1s9v s ARG 94 CO 0.35 -0.64 -0.02 0.08 0.02 0.00 0.00 175.30 175.09 1s9v s VAL 95 N 2.33 3.41 0.23 3.52 1.01 0.11 -4.95 120.40 126.06 1s9v s VAL 95 Ca 0.07 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 1s9v s VAL 95 Cb -0.16 -2.62 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 1s9v s VAL 95 CO -0.12 0.33 1.47 -1.61 0.00 0.00 0.00 175.10 175.17 1s9v s GLU 96 N 1.46 4.25 0.54 2.72 2.02 -1.26 -2.52 118.70 125.91 1s9v s GLU 96 Ca 0.04 2.32 -0.19 0.00 0.02 0.00 0.00 54.97 57.16 1s9v s GLU 96 Cb -0.15 -3.12 -0.06 0.00 0.10 0.00 0.00 34.13 30.90 1s9v s GLU 96 CO -0.02 -0.47 1.09 -1.25 0.02 0.00 0.00 175.26 174.63 1s9v s PRO 97 N -0.01 3.44 -0.19 0.39 0.04 -1.26 -4.66 135.00 132.75 1s9v s PRO 97 Ca 0.62 1.47 -0.11 0.00 0.04 0.00 0.00 61.00 63.02 1s9v s PRO 97 Cb -0.42 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 1s9v s PRO 97 CO 0.40 -0.75 0.18 0.95 0.04 0.00 0.00 177.00 177.83 1s9v s THR 98 N -1.96 5.38 -0.19 1.26 -4.23 -0.18 -4.91 115.64 110.80 1s9v s THR 98 Ca 0.69 0.31 -0.03 0.00 -1.18 0.00 0.00 61.69 61.49 1s9v s THR 98 Cb -0.20 -3.52 -0.01 0.00 1.34 0.00 0.00 72.50 70.10 1s9v s THR 98 CO 0.27 0.43 -0.07 -0.69 -0.54 0.00 0.00 174.62 174.01 1s9v s VAL 99 N 0.37 3.29 -0.00 2.29 1.01 -1.26 -1.17 120.40 124.93 1s9v s VAL 99 Ca 0.11 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1s9v s VAL 99 Cb -0.12 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1s9v s VAL 99 CO 0.00 0.46 -0.13 -0.89 0.00 0.00 0.00 175.10 174.54 1s9v s THR 100 N 1.02 1.03 -0.01 3.92 2.01 -0.32 -4.98 115.64 118.32 1s9v s THR 100 Ca -0.00 -0.63 0.08 0.00 0.31 0.00 0.00 61.69 61.45 1s9v s THR 100 Cb -0.15 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 1s9v s THR 100 CO -0.01 0.24 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.29 1s9v s ILE 101 N -0.40 2.24 -0.28 1.82 1.01 -1.26 -0.08 121.20 124.25 1s9v s ILE 101 Ca 0.04 -1.12 -0.20 0.00 0.00 0.00 0.00 60.65 59.37 1s9v s ILE 101 Cb -0.05 -1.81 0.09 0.00 0.01 0.00 0.00 42.46 40.69 1s9v s ILE 101 CO -0.00 0.53 0.76 -0.94 0.00 0.00 0.00 174.94 175.28 1s9v s SER 102 N -0.79 -0.79 0.75 3.58 1.04 -0.90 -4.98 113.70 111.61 1s9v s SER 102 Ca 0.11 1.37 -0.12 0.00 0.48 0.00 0.00 55.95 57.80 1s9v s SER 102 Cb -0.10 1.36 0.04 0.00 0.10 0.00 0.00 66.02 67.42 1s9v s SER 102 CO 0.00 -0.23 1.11 -2.16 0.98 0.00 0.00 173.24 172.94 1s9v s PRO 103 N 1.01 2.47 0.00 4.02 0.04 -1.26 -1.22 135.00 140.05 1s9v s PRO 103 Ca -0.05 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1s9v s PRO 103 Cb -0.05 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1s9v s PRO 103 CO -0.10 -1.31 0.00 0.43 0.04 0.00 0.00 177.00 176.05 1s9v n SER 104 N -3.19 1.65 -4.90 6.66 7.64 -1.26 -4.87 113.62 115.33 1s9v n SER 104 Ca 0.07 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.67 1s9v n SER 104 Cb 0.57 0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.76 1s9v n SER 104 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1s9v s ASN 113 N -3.29 6.44 -0.10 6.43 -0.87 -1.14 -4.96 114.94 117.45 1s9v s ASN 113 Ca 0.00 0.74 -0.04 0.00 -1.57 0.00 0.00 52.86 51.99 1s9v s ASN 113 Cb 0.00 -2.15 0.05 0.00 -0.02 0.00 0.00 41.25 39.13 1s9v s ASN 113 CO 0.00 -0.22 0.17 -0.22 -2.57 0.00 0.00 177.10 174.26 1s9v s LEU 114 N -3.62 -0.09 -0.22 0.60 2.96 -1.26 -1.84 118.68 115.21 1s9v s LEU 114 Ca 0.44 0.27 -0.12 0.00 -0.22 0.00 0.00 54.13 54.50 1s9v s LEU 114 Cb -0.11 0.30 -0.05 0.00 0.50 0.00 0.00 46.19 46.84 1s9v s LEU 114 CO 0.30 -0.26 0.23 -0.76 -1.32 0.00 0.00 176.35 174.55 1s9v s LEU 115 N 2.30 4.14 -0.24 -0.68 1.02 0.37 -4.23 118.68 121.36 1s9v s LEU 115 Ca 0.03 0.26 -0.07 0.00 0.02 0.00 0.00 54.13 54.37 1s9v s LEU 115 Cb -0.13 -2.24 -0.03 0.00 0.02 0.00 0.00 46.19 43.82 1s9v s LEU 115 CO -0.07 0.03 0.06 -0.69 0.02 0.00 0.00 176.35 175.71 1s9v s VAL 116 N 1.07 4.29 -0.42 -1.59 1.01 -0.36 -0.04 120.40 124.36 1s9v s VAL 116 Ca 0.11 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1s9v s VAL 116 Cb -0.14 -3.00 0.05 0.00 0.00 0.00 0.00 36.38 33.29 1s9v s VAL 116 CO 0.05 0.35 0.30 0.00 0.00 0.00 0.00 175.10 175.80 1s9v s SER 118 N 2.01 6.33 -0.43 0.00 0.01 0.88 -1.74 113.70 120.76 1s9v s SER 118 Ca 0.04 -0.17 -0.08 0.00 1.31 0.00 0.00 55.95 57.04 1s9v s SER 118 Cb -0.21 -2.30 0.10 0.00 0.21 0.00 0.00 66.02 63.81 1s9v s SER 118 CO 0.07 -0.64 0.28 -0.69 0.41 0.00 0.00 173.24 172.66 1s9v s VAL 119 N 2.63 4.06 0.30 3.43 1.01 -0.81 -1.17 120.40 129.85 1s9v s VAL 119 Ca 0.21 -1.63 0.10 0.00 0.00 0.00 0.00 61.98 60.66 1s9v s VAL 119 Cb -0.15 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1s9v s VAL 119 CO 0.16 -0.62 -0.06 0.42 0.00 0.00 0.00 175.10 175.00 1s9v s THR 120 N 1.36 2.85 -1.31 3.92 -4.23 -0.32 -1.47 115.64 116.44 1s9v s THR 120 Ca 0.04 -2.09 -0.02 0.00 -1.18 0.00 0.00 61.69 58.44 1s9v s THR 120 Cb -0.24 -2.66 -0.00 0.00 1.34 0.00 0.00 72.50 70.94 1s9v s THR 120 CO 0.00 -0.32 0.64 0.47 -0.54 0.00 0.00 174.62 174.87 1s9v n ASP 121 N -0.83 -1.45 -4.49 3.99 10.43 -0.95 -1.01 116.55 122.23 1s9v n ASP 121 Ca -0.05 -0.89 -0.25 0.00 2.57 0.00 0.00 54.79 56.17 1s9v n ASP 121 Cb 0.61 -3.75 -0.10 0.00 1.84 0.00 0.00 41.12 39.71 1s9v n ASP 121 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 1s9v s PHE 122 N -3.72 2.32 -0.27 1.24 -0.71 -0.91 -4.46 117.98 111.46 1s9v s PHE 122 Ca 0.06 -0.39 -0.22 0.00 -1.04 0.00 0.00 56.93 55.33 1s9v s PHE 122 Cb -0.02 -1.12 0.08 0.00 -1.21 0.00 0.00 43.02 40.75 1s9v s PHE 122 CO 0.84 0.67 0.73 -0.47 -1.34 0.00 0.00 175.22 175.65 1s9v s TYR 123 N -2.55 -0.85 0.31 3.49 6.14 -1.05 0.13 117.35 122.97 1s9v s TYR 123 Ca 0.31 1.94 -0.05 0.00 0.64 0.00 0.00 57.07 59.91 1s9v s TYR 123 Cb -0.02 0.38 0.07 0.00 0.42 0.00 0.00 41.96 42.81 1s9v s TYR 123 CO 0.15 -0.41 0.33 -0.35 0.64 0.00 0.00 175.55 175.91 1s9v n PRO 124 N 3.13 -1.04 0.06 4.97 -0.04 -1.26 0.06 135.00 140.89 1s9v n PRO 124 Ca -0.16 -0.52 -0.02 0.00 -0.04 0.00 0.00 63.50 62.76 1s9v n PRO 124 Cb 0.56 -0.42 0.24 0.00 -0.04 0.00 0.00 33.50 33.85 1s9v n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s9v h ALA 125 N -2.09 1.17 -1.98 0.55 0.00 -1.99 -3.45 119.26 111.48 1s9v h ALA 125 Ca -0.12 -0.35 -0.61 0.00 0.00 0.00 0.00 54.91 53.84 1s9v h ALA 125 Cb 0.34 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1s9v h ALA 125 CO 0.08 0.54 1.19 1.04 0.00 0.00 0.00 179.25 182.10 1s9v n GLN 126 N -4.11 2.15 -3.54 0.00 3.00 -1.26 -4.94 117.38 108.68 1s9v n GLN 126 Ca -0.01 0.76 -0.14 0.00 -0.01 0.00 0.00 57.00 57.60 1s9v n GLN 126 Cb 0.41 -2.74 -0.05 0.00 0.00 0.00 0.00 30.24 27.86 1s9v n GLN 126 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 1s9v s ILE 127 N 4.90 0.02 -0.04 5.09 2.07 -1.26 -4.26 121.20 127.71 1s9v s ILE 127 Ca 0.95 -0.17 -0.02 0.00 -1.41 0.00 0.00 60.65 60.00 1s9v s ILE 127 Cb -0.64 -0.99 0.03 0.00 0.13 0.00 0.00 42.46 40.99 1s9v s ILE 127 CO 0.49 -0.10 0.05 -0.75 -1.91 0.00 0.00 174.94 172.72 1s9v s LYS 128 N -2.59 0.02 -0.12 3.50 2.47 -0.01 -5.00 119.74 118.01 1s9v s LYS 128 Ca -0.04 0.34 0.03 0.00 -1.56 0.00 0.00 55.97 54.73 1s9v s LYS 128 Cb -0.01 -0.57 -0.00 0.00 -1.46 0.00 0.00 37.83 35.80 1s9v s LYS 128 CO -0.03 -0.32 -0.21 0.08 0.16 0.00 0.00 175.35 175.03 1s9v s VAL 129 N 2.10 2.30 0.01 4.02 1.01 -1.26 -0.23 120.40 128.35 1s9v s VAL 129 Ca 0.05 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.14 1s9v s VAL 129 Cb -0.12 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 1s9v s VAL 129 CO -0.03 0.55 -0.12 -0.13 0.00 0.00 0.00 175.10 175.36 1s9v s ARG 130 N 0.44 0.94 -0.04 2.72 0.52 0.32 -4.99 118.95 118.86 1s9v s ARG 130 Ca -0.15 -0.52 -0.05 0.00 -0.52 0.00 0.00 55.73 54.49 1s9v s ARG 130 Cb -0.17 -0.91 -0.04 0.00 0.52 0.00 0.00 34.95 34.35 1s9v s ARG 130 CO 0.06 0.24 0.19 -1.58 0.02 0.00 0.00 175.30 174.24 1s9v s TRP 131 N -0.46 3.58 0.00 -0.53 0.52 -1.26 -0.38 118.94 120.41 1s9v s TRP 131 Ca 0.03 0.48 0.03 0.00 0.02 0.00 0.00 56.10 56.66 1s9v s TRP 131 Cb -0.06 -1.91 -0.01 0.00 -1.15 0.00 0.00 33.47 30.34 1s9v s TRP 131 CO 0.00 0.67 -0.10 -0.06 0.02 0.00 0.00 176.95 177.48 1s9v s PHE 132 N -1.22 0.87 -0.33 -1.98 0.08 -0.02 -1.11 117.98 114.28 1s9v s PHE 132 Ca 0.23 -0.20 0.02 0.00 0.12 0.00 0.00 56.93 57.10 1s9v s PHE 132 Cb -0.13 -0.55 0.10 0.00 -0.57 0.00 0.00 43.02 41.87 1s9v s PHE 132 CO 0.13 -0.01 0.07 0.50 -0.10 0.00 0.00 175.22 175.81 1s9v s ARG 133 N -0.42 1.21 -1.12 0.44 3.52 0.14 -0.83 118.95 121.88 1s9v s ARG 133 Ca 0.02 -1.61 -0.15 0.00 -0.13 0.00 0.00 55.73 53.87 1s9v s ARG 133 Cb -0.05 -2.78 -0.03 0.00 -1.56 0.00 0.00 34.95 30.54 1s9v s ARG 133 CO -0.00 -0.96 0.82 0.09 -0.81 0.00 0.00 175.30 174.44 1s9v n ASN 134 N 4.45 -5.46 0.00 -2.12 3.02 -0.59 -1.84 115.26 112.72 1s9v n ASN 134 Ca 0.02 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1s9v n ASN 134 Cb 0.42 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.64 1s9v n ASN 134 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1s9v n ASP 135 N -2.86 0.00 -4.68 6.41 5.68 -1.26 -4.98 116.55 114.86 1s9v n ASP 135 Ca -0.10 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 53.83 1s9v n ASP 135 Cb 0.60 -0.13 -0.08 0.00 -1.14 0.00 0.00 41.12 40.37 1s9v n ASP 135 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1s9v s GLN 136 N 0.00 4.15 0.20 0.11 -0.44 -0.77 -5.06 119.66 117.85 1s9v s GLN 136 Ca 0.00 -0.08 -0.30 0.00 -2.50 0.00 0.00 55.36 52.48 1s9v s GLN 136 Cb 0.00 -3.50 -0.08 0.00 -1.64 0.00 0.00 33.01 27.79 1s9v s GLN 136 CO 0.00 0.10 1.18 -2.00 0.50 0.00 0.00 175.29 175.07 1s9v s GLU 137 N 0.92 4.52 -0.16 1.67 2.12 -1.26 0.24 118.70 126.74 1s9v s GLU 137 Ca 0.12 1.86 -0.05 0.00 0.36 0.00 0.00 54.97 57.26 1s9v s GLU 137 Cb -0.13 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 1s9v s GLU 137 CO 0.04 -0.03 -0.02 -1.21 -0.54 0.00 0.00 175.26 173.50 1s9v s GLU 138 N -0.44 3.73 0.00 4.30 0.41 -0.26 -4.89 118.70 121.55 1s9v s GLU 138 Ca 0.51 -0.48 0.00 0.00 -0.41 0.00 0.00 54.97 54.59 1s9v s GLU 138 Cb -0.32 -2.98 0.00 0.00 -1.78 0.00 0.00 34.13 29.04 1s9v s GLU 138 CO 0.37 0.24 0.00 0.25 -0.49 0.00 0.00 175.26 175.63 1s9v n THR 139 N 3.57 0.00 -2.85 3.63 -2.24 -1.26 -4.30 114.28 110.83 1s9v n THR 139 Ca -0.17 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 1s9v n THR 139 Cb 0.52 -0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 67.93 1s9v n THR 139 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s9v s ALA 140 N -1.81 3.25 0.00 6.98 0.00 -1.26 -2.96 121.76 125.95 1s9v s ALA 140 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1s9v s ALA 140 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1s9v s ALA 140 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1s9v n GLY 141 N 3.00 0.69 3.73 0.00 0.00 -1.26 -4.90 105.19 106.47 1s9v n GLY 141 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1s9v n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s9v s VAL 142 N -2.41 5.28 -0.05 1.61 1.01 -1.16 -0.48 120.40 124.21 1s9v s VAL 142 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1s9v s VAL 142 Cb 0.00 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 33.01 1s9v s VAL 142 CO 0.00 0.48 -0.08 -0.69 0.00 0.00 0.00 175.10 174.80 1s9v s VAL 143 N 0.12 0.80 0.02 2.92 1.01 0.26 -4.99 120.40 120.53 1s9v s VAL 143 Ca 0.08 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 61.84 1s9v s VAL 143 Cb -0.11 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 1s9v s VAL 143 CO -0.01 0.28 -0.23 -0.55 0.00 0.00 0.00 175.10 174.59 1s9v s SER 144 N 0.71 2.68 0.81 3.32 0.15 -1.26 0.99 113.70 121.09 1s9v s SER 144 Ca -0.12 -0.48 -0.12 0.00 0.70 0.00 0.00 55.95 55.93 1s9v s SER 144 Cb -0.14 -0.26 0.08 0.00 -1.71 0.00 0.00 66.02 63.98 1s9v s SER 144 CO 0.02 0.23 1.15 0.42 1.20 0.00 0.00 173.24 176.27 1s9v s THR 145 N -0.67 2.30 0.88 6.45 -4.23 -0.31 -5.01 115.64 115.05 1s9v s THR 145 Ca 0.09 0.10 -0.14 0.00 -1.18 0.00 0.00 61.69 60.56 1s9v s THR 145 Cb -0.09 -3.04 0.14 0.00 1.34 0.00 0.00 72.50 70.84 1s9v s THR 145 CO 0.01 -0.13 1.25 -2.16 -0.54 0.00 0.00 174.62 173.04 1s9v s PRO 146 N -5.47 1.34 0.23 3.99 0.04 -1.26 -4.68 135.00 129.18 1s9v s PRO 146 Ca 0.62 -0.14 -0.31 0.00 0.04 0.00 0.00 61.00 61.20 1s9v s PRO 146 Cb -0.12 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 1s9v s PRO 146 CO 0.50 -1.98 1.69 -1.17 0.04 0.00 0.00 177.00 176.08 1s9v s LEU 147 N -5.72 4.36 -0.17 -3.56 2.96 -1.26 -4.72 118.68 110.57 1s9v s LEU 147 Ca 0.68 2.88 -0.04 0.00 -0.22 0.00 0.00 54.13 57.43 1s9v s LEU 147 Cb -0.08 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1s9v s LEU 147 CO 0.51 -0.96 -0.03 -0.63 -1.32 0.00 0.00 176.35 173.92 1s9v s ILE 148 N 0.88 3.86 -0.24 6.68 1.01 0.12 -4.97 121.20 128.54 1s9v s ILE 148 Ca 0.72 -0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.83 1s9v s ILE 148 Cb -0.49 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 1s9v s ILE 148 CO 0.36 0.47 0.48 -0.60 0.00 0.00 0.00 174.94 175.65 1s9v s ARG 149 N 0.59 4.10 0.28 2.79 3.52 -1.26 -0.90 118.95 128.07 1s9v s ARG 149 Ca -0.02 0.28 0.24 0.00 -0.13 0.00 0.00 55.73 56.09 1s9v s ARG 149 Cb -0.14 -3.62 0.31 0.00 -1.56 0.00 0.00 34.95 29.93 1s9v s ARG 149 CO 0.02 -0.26 1.41 -0.91 -0.81 0.00 0.00 175.30 174.76 1s9v h ASN 150 N 7.84 0.00 0.00 -2.12 2.35 -1.83 -3.48 115.58 118.34 1s9v h ASN 150 Ca -0.31 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 1s9v h ASN 150 Cb 1.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1s9v h ASN 150 CO 0.71 0.02 0.00 0.61 -1.65 0.00 0.00 177.43 177.12 1s9v n GLY 151 N 1.20 1.63 1.53 2.83 0.00 -1.26 -4.89 105.19 106.23 1s9v n GLY 151 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1s9v n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s9v n ASP 152 N 0.00 3.64 -1.14 1.61 5.75 -1.26 -4.91 116.55 120.24 1s9v n ASP 152 Ca 0.00 -3.78 -0.09 0.00 -0.01 0.00 0.00 54.79 50.91 1s9v n ASP 152 Cb 0.00 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 1s9v n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1s9v n TRP 153 N -1.02 -0.55 -3.85 2.11 7.02 -1.26 -5.03 117.44 114.86 1s9v n TRP 153 Ca 0.41 0.07 -0.10 0.00 -1.02 0.00 0.00 57.50 56.85 1s9v n TRP 153 Cb 1.01 -2.34 -0.08 0.00 -2.42 0.00 0.00 31.31 27.48 1s9v n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1s9v s THR 154 N -2.55 0.12 0.37 -0.99 -4.23 -1.26 -4.71 115.64 102.39 1s9v s THR 154 Ca 0.04 -1.03 0.05 0.00 -1.18 0.00 0.00 61.69 59.57 1s9v s THR 154 Cb -0.02 -1.12 -0.07 0.00 1.34 0.00 0.00 72.50 72.64 1s9v s THR 154 CO 0.05 -0.57 0.04 -0.36 -0.54 0.00 0.00 174.62 173.24 1s9v s PHE 155 N -3.19 2.15 0.06 3.99 0.40 0.12 -2.37 117.98 119.14 1s9v s PHE 155 Ca -0.00 -0.87 -0.16 0.00 -0.60 0.00 0.00 56.93 55.30 1s9v s PHE 155 Cb 0.02 -1.47 0.03 0.00 0.51 0.00 0.00 43.02 42.11 1s9v s PHE 155 CO -0.07 0.16 0.37 1.14 0.70 0.00 0.00 175.22 177.52 1s9v s GLN 156 N -3.82 0.91 -0.17 0.44 -2.07 -0.08 -2.14 119.66 112.73 1s9v s GLN 156 Ca 0.34 -0.47 -0.14 0.00 -1.82 0.00 0.00 55.36 53.27 1s9v s GLN 156 Cb 0.09 0.40 0.05 0.00 -1.09 0.00 0.00 33.01 32.45 1s9v s GLN 156 CO 0.16 -0.31 0.45 -1.50 -1.32 0.00 0.00 175.29 172.76 1s9v s ILE 157 N -2.73 -0.01 -0.23 3.63 2.07 -0.54 0.14 121.20 123.53 1s9v s ILE 157 Ca -0.04 0.02 -0.04 0.00 -1.41 0.00 0.00 60.65 59.19 1s9v s ILE 157 Cb -0.00 -0.63 0.00 0.00 0.13 0.00 0.00 42.46 41.96 1s9v s ILE 157 CO -0.04 0.01 -0.04 -0.76 -1.91 0.00 0.00 174.94 172.20 1s9v s LEU 158 N 0.51 3.05 -0.31 8.50 1.02 -1.26 -1.92 118.68 128.28 1s9v s LEU 158 Ca -0.02 -0.55 -0.06 0.00 0.02 0.00 0.00 54.13 53.52 1s9v s LEU 158 Cb -0.04 -1.73 0.02 0.00 0.02 0.00 0.00 46.19 44.46 1s9v s LEU 158 CO -0.03 -0.06 0.07 -0.69 0.02 0.00 0.00 176.35 175.66 1s9v s VAL 159 N 1.44 3.75 0.00 -1.59 1.01 -0.71 -1.17 120.40 123.14 1s9v s VAL 159 Ca 0.04 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 1s9v s VAL 159 Cb -0.15 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1s9v s VAL 159 CO -0.03 -0.01 0.17 -0.04 0.00 0.00 0.00 175.10 175.19 1s9v s MET 160 N 1.44 3.38 -0.10 2.72 -1.94 0.28 -0.93 119.30 124.14 1s9v s MET 160 Ca 0.00 -0.37 -0.01 0.00 -1.71 0.00 0.00 55.69 53.61 1s9v s MET 160 Cb -0.18 -3.05 0.03 0.00 2.01 0.00 0.00 34.83 33.63 1s9v s MET 160 CO 0.02 0.66 -0.06 -1.17 -0.01 0.00 0.00 175.02 174.46 1s9v s LEU 161 N -2.00 1.05 -0.01 -0.03 2.96 0.94 -0.58 118.68 121.01 1s9v s LEU 161 Ca 0.28 -0.24 -0.27 0.00 -0.22 0.00 0.00 54.13 53.67 1s9v s LEU 161 Cb -0.13 -0.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.79 1s9v s LEU 161 CO 0.19 -0.13 0.86 -0.70 -1.32 0.00 0.00 176.35 175.25 1s9v s GLU 162 N 1.73 4.53 0.25 1.98 2.56 0.37 -0.47 118.70 129.64 1s9v s GLU 162 Ca 0.04 1.21 -0.20 0.00 0.00 0.00 0.00 54.97 56.02 1s9v s GLU 162 Cb -0.13 -3.44 0.02 0.00 2.00 0.00 0.00 34.13 32.59 1s9v s GLU 162 CO -0.07 0.05 0.65 0.00 -0.56 0.00 0.00 175.26 175.33 1s9v s MET 163 N 0.72 1.65 -0.29 4.30 0.23 -0.76 -4.84 119.30 120.31 1s9v s MET 163 Ca 0.45 -0.95 -0.03 0.00 -1.03 0.00 0.00 55.69 54.12 1s9v s MET 163 Cb -0.20 0.58 0.04 0.00 -1.53 0.00 0.00 34.83 33.71 1s9v s MET 163 CO 0.24 -0.74 0.02 0.99 -2.03 0.00 0.00 175.02 173.50 1s9v s THR 164 N -3.91 3.25 0.18 3.16 2.01 -1.26 -2.88 115.64 116.18 1s9v s THR 164 Ca 0.11 -1.15 -0.32 0.00 0.31 0.00 0.00 61.69 60.65 1s9v s THR 164 Cb -0.04 -2.78 -0.11 0.00 0.01 0.00 0.00 72.50 69.58 1s9v s THR 164 CO 0.04 -0.02 1.64 -2.16 -0.69 0.00 0.00 174.62 173.43 1s9v s PRO 165 N 1.33 4.18 -0.05 4.92 0.04 -1.26 -5.02 135.00 139.14 1s9v s PRO 165 Ca -0.02 2.47 -0.03 0.00 0.04 0.00 0.00 61.00 63.46 1s9v s PRO 165 Cb -0.19 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.22 1s9v s PRO 165 CO -0.01 -0.68 0.11 -0.65 0.04 0.00 0.00 177.00 175.82 1s9v s GLN 166 N 1.27 0.09 0.30 4.56 -0.21 -1.26 -5.11 119.66 119.29 1s9v s GLN 166 Ca 0.72 0.23 -0.29 0.00 0.02 0.00 0.00 55.36 56.04 1s9v s GLN 166 Cb -0.46 -0.06 -0.11 0.00 1.00 0.00 0.00 33.01 33.38 1s9v s GLN 166 CO 0.32 -0.08 1.48 0.50 -2.12 0.00 0.00 175.29 175.39 1s9v s ARG 167 N 0.56 4.20 0.00 2.91 6.06 -1.26 -2.14 118.95 129.28 1s9v s ARG 167 Ca -0.04 2.43 0.00 0.00 -2.50 0.00 0.00 55.73 55.62 1s9v s ARG 167 Cb -0.06 -3.05 0.00 0.00 0.06 0.00 0.00 34.95 31.90 1s9v s ARG 167 CO -0.02 -0.48 0.00 0.41 -2.50 0.00 0.00 175.30 172.70 1s9v n GLY 168 N 1.68 2.73 3.73 8.12 0.00 -1.26 -5.05 105.19 115.15 1s9v n GLY 168 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1s9v n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s9v s ASP 169 N 0.56 6.79 -0.25 1.61 1.01 -0.91 -5.01 116.67 120.47 1s9v s ASP 169 Ca 0.00 2.46 0.02 0.00 0.71 0.00 0.00 52.55 55.74 1s9v s ASP 169 Cb 0.00 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.38 1s9v s ASP 169 CO 0.00 -0.64 -0.12 -0.69 0.21 0.00 0.00 175.17 173.93 1s9v s VAL 170 N 0.49 2.21 -0.19 -1.27 1.01 -1.26 -3.53 120.40 117.85 1s9v s VAL 170 Ca 0.61 -1.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 1s9v s VAL 170 Cb -0.39 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1s9v s VAL 170 CO 0.36 0.08 0.14 -0.31 0.00 0.00 0.00 175.10 175.38 1s9v s TYR 171 N 1.15 3.43 -0.02 5.22 2.02 -0.49 -1.54 117.35 127.11 1s9v s TYR 171 Ca -0.06 0.36 0.04 0.00 -0.37 0.00 0.00 57.07 57.04 1s9v s TYR 171 Cb -0.19 -2.15 -0.01 0.00 -0.40 0.00 0.00 41.96 39.21 1s9v s TYR 171 CO -0.06 0.32 -0.15 -0.08 -1.57 0.00 0.00 175.55 174.01 1s9v s THR 172 N 0.27 1.22 -0.31 -0.71 -1.32 -0.01 0.67 115.64 115.44 1s9v s THR 172 Ca 0.09 -0.63 -0.14 0.00 -1.21 0.00 0.00 61.69 59.80 1s9v s THR 172 Cb -0.11 -1.03 -0.03 0.00 -1.51 0.00 0.00 72.50 69.82 1s9v s THR 172 CO -0.01 0.35 0.33 0.00 -2.21 0.00 0.00 174.62 173.08 1s9v s HIS 174 N 1.98 3.07 -0.10 0.00 5.04 0.48 -1.85 115.29 123.92 1s9v s HIS 174 Ca 0.12 -0.47 0.04 0.00 -1.54 0.00 0.00 55.06 53.21 1s9v s HIS 174 Cb -0.16 -2.23 0.00 0.00 0.04 0.00 0.00 32.58 30.23 1s9v s HIS 174 CO 0.11 -0.38 -0.23 0.08 -2.34 0.00 0.00 174.74 171.99 1s9v s VAL 175 N 1.60 1.96 -0.12 0.89 1.01 0.31 -0.52 120.40 125.53 1s9v s VAL 175 Ca 0.06 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1s9v s VAL 175 Cb -0.15 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1s9v s VAL 175 CO 0.03 0.54 -0.18 -1.61 0.00 0.00 0.00 175.10 173.88 1s9v s GLU 176 N 0.38 3.23 -0.13 2.72 2.02 0.67 -1.34 118.70 126.27 1s9v s GLU 176 Ca -0.18 -0.77 -0.18 0.00 0.02 0.00 0.00 54.97 53.86 1s9v s GLU 176 Cb -0.18 -2.50 0.04 0.00 0.10 0.00 0.00 34.13 31.60 1s9v s GLU 176 CO 0.08 0.18 0.47 -1.58 0.02 0.00 0.00 175.26 174.43 1s9v s HIS 177 N 0.39 -0.47 0.59 1.61 2.46 -1.26 -0.83 115.29 117.78 1s9v s HIS 177 Ca -0.14 1.04 0.32 0.00 0.47 0.00 0.00 55.06 56.76 1s9v s HIS 177 Cb -0.17 0.19 1.30 0.00 -0.13 0.00 0.00 32.58 33.78 1s9v s HIS 177 CO 0.07 -0.33 1.60 -1.35 -2.47 0.00 0.00 174.74 172.25 1s9v h PRO 178 N 4.75 0.00 -0.00 2.88 0.11 -1.94 0.30 132.00 138.10 1s9v h PRO 178 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1s9v h PRO 178 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1s9v h PRO 178 CO 0.27 0.00 -0.07 -1.13 -0.21 0.00 0.00 178.00 176.86 1s9v n SER 179 N -3.62 0.09 -4.54 -2.05 3.41 -1.26 -4.79 113.62 100.86 1s9v n SER 179 Ca 0.22 0.28 -0.38 0.00 -0.26 0.00 0.00 58.87 58.73 1s9v n SER 179 Cb 1.30 -0.35 -0.11 0.00 -0.26 0.00 0.00 64.21 64.78 1s9v n SER 179 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1s9v s LEU 180 N -2.93 4.00 0.26 1.04 1.43 0.11 -4.86 118.68 117.72 1s9v s LEU 180 Ca 0.16 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.05 1s9v s LEU 180 Cb 0.19 -2.08 0.32 0.00 0.03 0.00 0.00 46.19 44.66 1s9v s LEU 180 CO 0.54 -0.09 1.91 0.06 0.23 0.00 0.00 176.35 179.00 1s9v h GLN 181 N 8.36 1.25 -4.54 1.70 3.07 -1.87 -3.43 115.11 119.65 1s9v h GLN 181 Ca -0.35 -0.07 -0.24 0.00 0.09 0.00 0.00 58.65 58.07 1s9v h GLN 181 Cb 1.18 -0.28 -0.19 0.00 0.08 0.00 0.00 27.48 28.27 1s9v h GLN 181 CO 0.57 0.82 -0.72 -1.54 0.09 0.00 0.00 178.83 178.06 1s9v s SER 182 N -6.02 0.89 0.42 0.06 1.04 -1.26 -5.14 113.70 103.68 1s9v s SER 182 Ca -0.13 -0.71 -0.26 0.00 0.48 0.00 0.00 55.95 55.33 1s9v s SER 182 Cb 0.19 0.07 -0.09 0.00 0.10 0.00 0.00 66.02 66.28 1s9v s SER 182 CO 0.82 -0.31 1.44 -2.16 0.98 0.00 0.00 173.24 174.01 1s9v s PRO 183 N -2.38 3.87 0.05 4.02 0.04 -1.26 -4.97 135.00 134.37 1s9v s PRO 183 Ca -0.03 2.45 -0.23 0.00 0.04 0.00 0.00 61.00 63.24 1s9v s PRO 183 Cb -0.04 -2.79 -0.06 0.00 0.04 0.00 0.00 34.50 31.65 1s9v s PRO 183 CO -0.02 -0.68 0.69 0.42 0.04 0.00 0.00 177.00 177.45 1s9v s ILE 184 N -1.17 4.75 -0.04 0.56 1.01 -0.45 -4.87 121.20 120.98 1s9v s ILE 184 Ca 0.57 1.47 0.02 0.00 0.00 0.00 0.00 60.65 62.71 1s9v s ILE 184 Cb -0.44 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.00 1s9v s ILE 184 CO 0.58 0.42 -0.09 0.42 0.00 0.00 0.00 174.94 176.28 1s9v s THR 185 N -0.33 0.80 -0.09 2.92 -4.23 -1.26 -0.53 115.64 112.92 1s9v s THR 185 Ca 0.35 -0.33 0.01 0.00 -1.18 0.00 0.00 61.69 60.54 1s9v s THR 185 Cb -0.20 -0.74 0.02 0.00 1.34 0.00 0.00 72.50 72.92 1s9v s THR 185 CO 0.21 0.27 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.75 1s9v s VAL 186 N 0.48 1.15 0.11 2.29 1.01 -0.77 -4.96 120.40 119.71 1s9v s VAL 186 Ca -0.08 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1s9v s VAL 186 Cb -0.12 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1s9v s VAL 186 CO 0.01 0.37 0.01 -1.83 0.00 0.00 0.00 175.10 173.66 1s9v s GLU 187 N 1.01 2.54 -0.02 2.72 -1.05 -1.26 0.04 118.70 122.69 1s9v s GLU 187 Ca -0.08 -0.89 0.04 0.00 -0.15 0.00 0.00 54.97 53.89 1s9v s GLU 187 Cb -0.15 -2.51 -0.01 0.00 -0.44 0.00 0.00 34.13 31.02 1s9v s GLU 187 CO -0.01 0.52 -0.14 -0.46 0.95 0.00 0.00 175.26 176.12 1s9v s TRP 188 N -1.42 1.29 0.03 4.83 -0.00 0.21 -4.98 118.94 118.90 1s9v s TRP 188 Ca 0.26 -0.26 0.08 0.00 -0.00 0.00 0.00 56.10 56.18 1s9v s TRP 188 Cb -0.11 -0.84 -0.03 0.00 -0.00 0.00 0.00 33.47 32.49 1s9v s TRP 188 CO 0.19 -0.04 -0.24 -0.98 -0.00 0.00 0.00 176.95 175.87 1s9v s ARG 189 N -0.25 1.95 0.00 5.86 3.03 -1.26 -1.39 118.95 126.89 1s9v s ARG 189 Ca 0.04 -1.03 0.20 0.00 2.03 0.00 0.00 55.73 56.97 1s9v s ARG 189 Cb -0.06 -2.05 1.21 0.00 -1.03 0.00 0.00 34.95 33.02 1s9v s ARG 189 CO -0.00 0.53 1.60 0.00 -1.13 0.00 0.00 175.30 176.30