#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9v s SER 2 N 0.00 5.86 -0.98 1.61 0.01 -1.26 -4.45 113.70 114.49 2d9v s SER 2 Ca 0.00 0.22 -0.03 0.00 1.31 0.00 0.00 55.95 57.45 2d9v s SER 2 Cb 0.00 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.30 2d9v s SER 2 CO 0.00 0.27 0.83 -1.20 0.41 0.00 0.00 173.24 173.55 2d9v n SER 3 N 2.90 -3.25 -4.57 2.44 7.64 -1.26 -5.02 113.62 112.50 2d9v n SER 3 Ca -0.18 -0.46 -0.34 0.00 1.01 0.00 0.00 58.87 58.90 2d9v n SER 3 Cb 0.53 -4.08 -0.11 0.00 -1.01 0.00 0.00 64.21 59.54 2d9v n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d9v s GLY 4 N -3.77 1.70 -0.15 0.23 0.00 -1.26 -5.10 107.32 98.97 2d9v s GLY 4 Ca 0.16 -0.88 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 2d9v s GLY 4 CO 0.57 -0.58 0.07 -0.45 0.00 0.00 0.00 173.10 172.71 2d9v s SER 5 N -0.63 2.26 0.23 1.64 0.15 -1.26 -4.98 113.70 111.11 2d9v s SER 5 Ca 0.10 -0.53 0.06 0.00 0.70 0.00 0.00 55.95 56.28 2d9v s SER 5 Cb -0.12 -0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 63.83 2d9v s SER 5 CO 0.02 -0.31 0.18 -0.94 1.20 0.00 0.00 173.24 173.38 2d9v s SER 6 N 2.06 5.52 -0.30 5.45 1.04 -1.26 -4.99 113.70 121.22 2d9v s SER 6 Ca 0.02 -0.22 -0.18 0.00 0.48 0.00 0.00 55.95 56.05 2d9v s SER 6 Cb -0.15 -1.41 0.18 0.00 0.10 0.00 0.00 66.02 64.74 2d9v s SER 6 CO -0.08 -0.01 1.22 -0.83 0.98 0.00 0.00 173.24 174.53 2d9v s GLY 7 N -3.62 0.08 0.01 7.32 0.00 -1.26 -5.04 107.32 104.82 2d9v s GLY 7 Ca 0.32 3.38 -0.09 0.00 0.00 0.00 0.00 44.72 48.34 2d9v s GLY 7 CO 0.24 3.57 0.31 -2.27 0.00 0.00 0.00 173.10 174.95 2d9v s LEU 8 N 2.42 4.38 -0.16 0.66 2.96 -1.26 -2.06 118.68 125.62 2d9v s LEU 8 Ca -0.03 0.67 -0.16 0.00 -0.22 0.00 0.00 54.13 54.39 2d9v s LEU 8 Cb -0.04 -2.69 -0.05 0.00 0.50 0.00 0.00 46.19 43.91 2d9v s LEU 8 CO -0.13 0.26 -0.32 0.52 -1.32 0.00 0.00 176.35 175.36 2d9v n VAL 9 N 1.24 1.38 -4.03 1.68 0.31 -1.08 -4.96 118.33 112.87 2d9v n VAL 9 Ca -0.12 0.17 -0.11 0.00 -0.01 0.00 0.00 64.34 64.27 2d9v n VAL 9 Cb 0.53 -2.29 -0.05 0.00 -0.91 0.00 0.00 33.84 31.12 2d9v n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2d9v s ARG 10 N -2.74 1.70 0.00 5.55 1.70 -1.26 -5.03 118.95 118.87 2d9v s ARG 10 Ca -0.26 -1.47 0.00 0.00 -0.47 0.00 0.00 55.73 53.53 2d9v s ARG 10 Cb 0.04 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.87 2d9v s ARG 10 CO 0.39 -0.71 0.00 0.41 -1.08 0.00 0.00 175.30 174.31 2d9v n GLY 11 N -0.45 5.06 0.00 3.88 0.00 -1.26 -3.01 105.19 109.41 2d9v n GLY 11 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2d9v n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d9v n GLY 12 N 0.00 3.27 3.85 -0.02 0.00 -1.25 -4.92 105.19 106.12 2d9v n GLY 12 Ca 0.00 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 2d9v n GLY 12 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2d9v s TRP 13 N -2.96 3.53 0.01 1.61 0.52 -1.26 -2.58 118.94 117.80 2d9v s TRP 13 Ca 0.00 0.45 0.00 0.00 0.02 0.00 0.00 56.10 56.58 2d9v s TRP 13 Cb 0.00 -1.90 -0.01 0.00 -1.15 0.00 0.00 33.47 30.41 2d9v s TRP 13 CO 0.00 0.69 -0.02 -0.51 0.02 0.00 0.00 176.95 177.13 2d9v s LEU 14 N -1.15 2.09 -0.34 2.99 1.43 -0.17 -4.80 118.68 118.72 2d9v s LEU 14 Ca 0.17 -0.20 -0.25 0.00 -1.03 0.00 0.00 54.13 52.81 2d9v s LEU 14 Cb -0.12 -0.02 0.01 0.00 0.03 0.00 0.00 46.19 46.09 2d9v s LEU 14 CO 0.06 -0.09 0.89 0.26 0.23 0.00 0.00 176.35 177.69 2d9v s TRP 15 N -0.54 3.13 -0.08 0.29 0.52 0.83 -1.51 118.94 121.58 2d9v s TRP 15 Ca -0.05 0.82 -0.01 0.00 0.02 0.00 0.00 56.10 56.88 2d9v s TRP 15 Cb -0.04 -3.49 -0.03 0.00 -1.15 0.00 0.00 33.47 28.76 2d9v s TRP 15 CO -0.00 -0.72 -0.02 0.50 0.02 0.00 0.00 176.95 176.72 2d9v s ARG 16 N 3.29 2.92 -0.29 4.98 3.52 0.69 0.97 118.95 135.02 2d9v s ARG 16 Ca 0.37 -0.46 -0.17 0.00 -0.13 0.00 0.00 55.73 55.34 2d9v s ARG 16 Cb -0.13 -2.73 -0.02 0.00 -1.56 0.00 0.00 34.95 30.51 2d9v s ARG 16 CO 0.16 0.68 0.46 -1.14 -0.81 0.00 0.00 175.30 174.65 2d9v s GLN 17 N -0.82 3.89 1.31 5.12 0.74 -1.16 0.98 119.66 129.71 2d9v s GLN 17 Ca 0.13 0.05 -0.20 0.00 0.05 0.00 0.00 55.36 55.39 2d9v s GLN 17 Cb -0.11 -3.71 0.31 0.00 1.10 0.00 0.00 33.01 30.60 2d9v s GLN 17 CO 0.02 -0.42 0.71 0.43 -0.55 0.00 0.00 175.29 175.48 2d9v n SER 18 N 5.53 -3.48 -0.09 6.67 7.64 -0.42 -4.82 113.62 124.65 2d9v n SER 18 Ca -0.06 -0.62 -0.11 0.00 1.01 0.00 0.00 58.87 59.09 2d9v n SER 18 Cb 0.50 -0.98 -0.04 0.00 -1.01 0.00 0.00 64.21 62.68 2d9v n SER 18 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d9v n SER 19 N -4.35 1.88 0.12 6.43 7.64 -1.26 -3.35 113.62 120.74 2d9v n SER 19 Ca 0.09 0.46 -0.21 0.00 1.01 0.00 0.00 58.87 60.22 2d9v n SER 19 Cb 0.53 -0.82 -0.15 0.00 -1.01 0.00 0.00 64.21 62.75 2d9v n SER 19 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2d9v h ILE 20 N -1.00 1.37 0.00 0.44 6.09 -2.00 -3.27 117.51 119.14 2d9v h ILE 20 Ca -0.13 -2.86 0.00 0.00 -1.37 0.00 0.00 64.86 60.50 2d9v h ILE 20 Cb 0.93 2.99 0.00 0.00 0.47 0.00 0.00 36.82 41.21 2d9v h ILE 20 CO -0.08 0.85 -0.17 -0.07 -3.07 0.00 0.00 178.15 175.61 2d9v h LEU 21 N 0.11 0.00 1.56 2.19 3.38 -1.98 -3.46 115.31 117.12 2d9v h LEU 21 Ca -0.21 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2d9v h LEU 21 Cb 2.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.83 2d9v h LEU 21 CO 0.24 0.02 -0.00 0.54 0.09 0.00 0.00 178.44 179.33 2d9v n ARG 22 N -2.35 -2.12 -4.36 1.13 1.74 -1.21 -4.86 116.66 104.62 2d9v n ARG 22 Ca 0.05 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.81 2d9v n ARG 22 Cb 0.45 -4.28 -0.10 0.00 -1.02 0.00 0.00 32.46 27.51 2d9v n ARG 22 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2d9v s ARG 23 N -3.69 2.51 0.42 5.56 0.52 -1.26 -4.71 118.95 118.30 2d9v s ARG 23 Ca 0.00 -0.77 -0.25 0.00 -0.52 0.00 0.00 55.73 54.19 2d9v s ARG 23 Cb 0.00 -2.49 -0.08 0.00 0.52 0.00 0.00 34.95 32.90 2d9v s ARG 23 CO 0.00 0.58 1.22 -1.58 0.02 0.00 0.00 175.30 175.55 2d9v s TRP 24 N -1.08 2.91 -0.01 -0.53 0.52 -1.26 -1.30 118.94 118.19 2d9v s TRP 24 Ca 0.19 1.49 -0.05 0.00 0.02 0.00 0.00 56.10 57.76 2d9v s TRP 24 Cb -0.11 -3.51 0.00 0.00 -1.15 0.00 0.00 33.47 28.70 2d9v s TRP 24 CO 0.10 -1.70 0.11 -1.59 0.02 0.00 0.00 176.95 173.89 2d9v s LYS 25 N -2.37 0.32 -0.08 4.98 -2.85 0.28 -4.90 119.74 115.11 2d9v s LYS 25 Ca 0.59 -0.20 -0.30 0.00 -1.00 0.00 0.00 55.97 55.06 2d9v s LYS 25 Cb -0.33 0.13 -0.03 0.00 -2.06 0.00 0.00 37.83 35.54 2d9v s LYS 25 CO 0.42 -0.06 1.18 1.03 0.10 0.00 0.00 175.35 178.02 2d9v s ARG 26 N -0.80 4.34 -0.02 1.78 0.52 -1.26 -0.22 118.95 123.29 2d9v s ARG 26 Ca -0.09 1.63 -0.00 0.00 -0.52 0.00 0.00 55.73 56.75 2d9v s ARG 26 Cb -0.05 -3.59 0.02 0.00 0.52 0.00 0.00 34.95 31.85 2d9v s ARG 26 CO 0.01 -0.48 0.03 -0.80 0.02 0.00 0.00 175.30 174.08 2d9v s ASN 27 N 1.50 0.04 -0.53 0.23 0.02 -0.57 -4.95 114.94 110.68 2d9v s ASN 27 Ca 0.54 0.05 -0.21 0.00 -1.02 0.00 0.00 52.86 52.23 2d9v s ASN 27 Cb -0.23 -0.04 0.06 0.00 0.02 0.00 0.00 41.25 41.06 2d9v s ASN 27 CO 0.20 -0.10 0.73 0.86 0.02 0.00 0.00 177.10 178.81 2d9v s TRP 28 N 0.86 2.96 -0.06 2.20 -0.00 -1.22 -1.00 118.94 122.68 2d9v s TRP 28 Ca -0.07 -0.44 -0.13 0.00 -0.00 0.00 0.00 56.10 55.46 2d9v s TRP 28 Cb -0.10 -3.76 -0.05 0.00 -0.00 0.00 0.00 33.47 29.56 2d9v s TRP 28 CO -0.03 -1.17 0.33 -0.06 -0.00 0.00 0.00 176.95 176.02 2d9v s PHE 29 N 3.05 3.64 0.01 5.86 0.40 -1.07 -2.85 117.98 127.03 2d9v s PHE 29 Ca 0.19 0.81 0.01 0.00 -0.60 0.00 0.00 56.93 57.34 2d9v s PHE 29 Cb -0.18 -2.23 -0.01 0.00 0.51 0.00 0.00 43.02 41.11 2d9v s PHE 29 CO 0.13 0.57 -0.03 0.00 0.70 0.00 0.00 175.22 176.60 2d9v s ALA 30 N -0.72 0.17 0.09 5.36 0.00 -1.14 -3.74 121.76 121.78 2d9v s ALA 30 Ca 0.21 -0.28 -0.05 0.00 0.00 0.00 0.00 51.96 51.83 2d9v s ALA 30 Cb -0.15 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 2d9v s ALA 30 CO 0.09 -0.03 0.33 -1.17 0.00 0.00 0.00 175.76 174.98 2d9v s LEU 31 N -0.59 4.32 0.21 0.00 2.96 -1.16 -2.54 118.68 121.87 2d9v s LEU 31 Ca -0.05 0.56 0.10 0.00 -0.22 0.00 0.00 54.13 54.52 2d9v s LEU 31 Cb -0.04 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 2d9v s LEU 31 CO -0.00 0.13 -0.13 0.26 -1.32 0.00 0.00 176.35 175.29 2d9v s TRP 32 N -1.51 2.51 0.33 5.38 0.52 -0.39 -2.63 118.94 123.16 2d9v s TRP 32 Ca 0.36 -0.27 0.38 0.00 0.02 0.00 0.00 56.10 56.58 2d9v s TRP 32 Cb -0.13 -1.19 1.78 0.00 -1.15 0.00 0.00 33.47 32.78 2d9v s TRP 32 CO 0.22 0.56 2.14 -0.07 0.02 0.00 0.00 176.95 179.82 2d9v h LEU 33 N 2.71 0.00 -1.52 2.99 3.38 -1.74 -2.08 115.31 119.05 2d9v h LEU 33 Ca -0.45 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2d9v h LEU 33 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2d9v h LEU 33 CO 0.55 0.01 0.00 -0.67 0.09 0.00 0.00 178.44 178.42 2d9v n ASP 34 N -3.12 1.95 -3.40 -0.43 2.03 -1.26 -4.87 116.55 107.46 2d9v n ASP 34 Ca -0.01 -2.19 -0.19 0.00 0.52 0.00 0.00 54.79 52.92 2d9v n ASP 34 Cb 0.21 -0.54 0.06 0.00 -0.72 0.00 0.00 41.12 40.14 2d9v n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2d9v n GLY 35 N 0.12 -0.99 3.14 0.27 0.00 -0.78 -4.81 105.19 102.14 2d9v n GLY 35 Ca 0.06 0.48 -0.10 0.00 0.00 0.00 0.00 46.02 46.45 2d9v n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2d9v s THR 36 N -3.42 0.11 -0.27 2.61 -4.23 -1.24 -0.34 115.64 108.85 2d9v s THR 36 Ca 0.39 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.99 2d9v s THR 36 Cb -0.07 -0.79 0.07 0.00 1.34 0.00 0.00 72.50 73.04 2d9v s THR 36 CO 0.77 -0.51 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.08 2d9v s LEU 37 N -1.94 3.38 -0.12 4.79 2.96 0.85 -1.26 118.68 127.35 2d9v s LEU 37 Ca -0.07 -1.52 0.02 0.00 -0.22 0.00 0.00 54.13 52.33 2d9v s LEU 37 Cb -0.03 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 2d9v s LEU 37 CO -0.03 -0.26 -0.18 -0.83 -1.32 0.00 0.00 176.35 173.73 2d9v s GLY 38 N 1.19 1.45 0.04 7.98 0.00 -1.05 -1.62 107.32 115.31 2d9v s GLY 38 Ca -0.02 -0.93 0.07 0.00 0.00 0.00 0.00 44.72 43.84 2d9v s GLY 38 CO -0.07 -0.23 -0.17 -2.52 0.00 0.00 0.00 173.10 170.11 2d9v s TYR 39 N 0.38 2.59 0.39 1.90 1.13 -1.23 -2.87 117.35 119.65 2d9v s TYR 39 Ca -0.14 -0.24 0.04 0.00 -1.41 0.00 0.00 57.07 55.33 2d9v s TYR 39 Cb -0.17 -1.47 -0.05 0.00 -1.10 0.00 0.00 41.96 39.18 2d9v s TYR 39 CO 0.07 0.27 0.05 0.71 -2.51 0.00 0.00 175.55 174.14 2d9v s TYR 40 N -0.95 2.03 0.12 -3.49 1.51 -1.13 -2.02 117.35 113.42 2d9v s TYR 40 Ca 0.15 -0.96 -0.17 0.00 -1.01 0.00 0.00 57.07 55.08 2d9v s TYR 40 Cb -0.11 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.29 2d9v s TYR 40 CO 0.06 0.08 1.67 0.45 -1.11 0.00 0.00 175.55 176.69 2d9v h HIS 41 N 1.85 0.51 -3.78 2.71 3.86 -1.91 -3.22 115.15 115.17 2d9v h HIS 41 Ca -0.41 -0.04 -0.33 0.00 -1.16 0.00 0.00 60.37 58.43 2d9v h HIS 41 Cb 1.26 -0.15 -0.14 0.00 1.06 0.00 0.00 27.41 29.43 2d9v h HIS 41 CO 0.96 0.48 -0.63 -0.51 0.86 0.00 0.00 177.93 179.09 2d9v s ASP 42 N -5.78 1.18 0.35 2.45 1.11 -1.26 -4.63 116.67 110.09 2d9v s ASP 42 Ca -0.13 -1.34 0.16 0.00 0.18 0.00 0.00 52.55 51.42 2d9v s ASP 42 Cb 0.09 0.16 1.13 0.00 1.07 0.00 0.00 42.92 45.37 2d9v s ASP 42 CO 0.74 -0.70 1.66 1.05 1.18 0.00 0.00 175.17 179.11 2d9v h GLU 43 N 2.46 0.29 -5.51 8.23 4.11 -1.94 -3.32 114.58 118.89 2d9v h GLU 43 Ca -0.38 -0.02 -0.16 0.00 0.07 0.00 0.00 59.36 58.87 2d9v h GLU 43 Cb 1.24 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 2d9v h GLU 43 CO 0.61 0.19 0.42 0.95 0.07 0.00 0.00 179.01 181.25 2d9v s THR 44 N -5.62 3.25 -0.92 -1.06 -4.23 -1.26 -4.84 115.64 100.97 2d9v s THR 44 Ca -0.10 -0.24 -0.24 0.00 -1.18 0.00 0.00 61.69 59.94 2d9v s THR 44 Cb 0.30 -3.64 -0.20 0.00 1.34 0.00 0.00 72.50 70.30 2d9v s THR 44 CO 0.79 -0.52 2.08 0.00 -0.54 0.00 0.00 174.62 176.44 2d9v n ALA 45 N 16.29 0.28 0.00 3.99 0.00 -1.25 -4.27 120.51 135.54 2d9v n ALA 45 Ca 0.43 -1.88 0.00 0.00 0.00 0.00 0.00 53.44 51.99 2d9v n ALA 45 Cb 0.45 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.86 2d9v n ALA 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2d9v n GLN 46 N 7.87 0.00 -3.16 0.00 6.02 -1.26 -4.89 117.38 121.95 2d9v n GLN 46 Ca 0.39 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.97 2d9v n GLN 46 Cb 0.45 -0.53 -0.01 0.00 1.02 0.00 0.00 30.24 31.18 2d9v n GLN 46 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2d9v n ASP 47 N -2.75 5.83 -4.59 1.08 9.92 -1.26 -5.02 116.55 119.76 2d9v n ASP 47 Ca 0.00 -3.32 -0.48 0.00 -0.53 0.00 0.00 54.79 50.47 2d9v n ASP 47 Cb 0.40 -1.22 -0.05 0.00 -0.64 0.00 0.00 41.12 39.60 2d9v n ASP 47 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2d9v n GLU 48 N 1.64 1.80 -0.03 -1.24 0.28 -1.26 -4.12 120.64 117.70 2d9v n GLU 48 Ca 0.26 0.58 -0.13 0.00 -0.16 0.00 0.00 57.16 57.71 2d9v n GLU 48 Cb 0.35 -2.73 -0.08 0.00 1.43 0.00 0.00 31.44 30.41 2d9v n GLU 48 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2d9v h GLU 49 N 11.58 0.19 -2.56 3.44 4.39 -1.77 -3.49 114.58 126.37 2d9v h GLU 49 Ca -0.40 -0.09 0.14 0.00 0.34 0.00 0.00 59.36 59.35 2d9v h GLU 49 Cb 1.28 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.88 2d9v h GLU 49 CO 0.97 0.57 0.50 -0.51 -1.16 0.00 0.00 179.01 179.38 2d9v s ASP 50 N -5.86 -0.06 -0.10 1.42 1.01 -1.25 -5.07 116.67 106.78 2d9v s ASP 50 Ca -0.15 -0.67 -0.04 0.00 0.71 0.00 0.00 52.55 52.41 2d9v s ASP 50 Cb 0.04 0.56 0.05 0.00 1.01 0.00 0.00 42.92 44.58 2d9v s ASP 50 CO 0.71 -1.08 0.20 -0.60 0.21 0.00 0.00 175.17 174.61 2d9v s ARG 51 N -2.57 0.10 -0.13 8.23 3.52 -1.26 -3.47 118.95 123.37 2d9v s ARG 51 Ca 0.18 0.58 0.03 0.00 -0.13 0.00 0.00 55.73 56.39 2d9v s ARG 51 Cb -0.03 -0.17 0.01 0.00 -1.56 0.00 0.00 34.95 33.20 2d9v s ARG 51 CO 0.05 -0.26 -0.22 0.14 -0.81 0.00 0.00 175.30 174.20 2d9v s VAL 52 N 2.03 2.10 0.38 7.11 -7.23 -0.64 -4.95 120.40 119.20 2d9v s VAL 52 Ca -0.01 -0.97 -0.27 0.00 -1.81 0.00 0.00 61.98 58.92 2d9v s VAL 52 Cb -0.12 -1.83 -0.11 0.00 0.56 0.00 0.00 36.38 34.88 2d9v s VAL 52 CO -0.07 0.55 1.35 0.52 -0.31 0.00 0.00 175.10 177.14 2d9v n VAL 53 N 3.95 2.23 -0.07 1.32 0.31 -1.26 -0.11 118.33 124.71 2d9v n VAL 53 Ca -0.20 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.54 2d9v n VAL 53 Cb 0.52 -1.70 -0.06 0.00 -0.91 0.00 0.00 33.84 31.69 2d9v n VAL 53 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2d9v n ILE 54 N 0.16 0.76 -1.68 2.52 2.08 0.53 -4.55 119.36 119.19 2d9v n ILE 54 Ca 0.04 -0.30 -0.44 0.00 0.56 0.00 0.00 62.75 62.62 2d9v n ILE 54 Cb 0.38 -0.96 -0.04 0.00 -0.75 0.00 0.00 39.64 38.27 2d9v n ILE 54 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 2d9v n HIS 55 N -2.87 2.48 -4.16 1.39 -0.00 -0.98 -2.24 115.22 108.83 2d9v n HIS 55 Ca -0.23 -0.15 -0.37 0.00 0.46 0.00 0.00 57.72 57.43 2d9v n HIS 55 Cb 0.75 -2.72 -0.07 0.00 -0.12 0.00 0.00 29.99 27.83 2d9v n HIS 55 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 2d9v n PHE 56 N 6.37 -1.02 -0.01 1.57 3.72 0.38 -4.71 117.46 123.75 2d9v n PHE 56 Ca 0.20 0.60 -0.02 0.00 -0.05 0.00 0.00 57.45 58.18 2d9v n PHE 56 Cb 0.36 -1.72 -0.02 0.00 -0.94 0.00 0.00 39.48 37.17 2d9v n PHE 56 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2d9v n ASN 57 N -2.10 3.92 -4.67 4.37 5.15 -0.95 -4.94 115.26 116.03 2d9v n ASN 57 Ca 0.06 -0.01 -0.42 0.00 -0.60 0.00 0.00 54.58 53.61 2d9v n ASN 57 Cb 0.42 0.10 -0.03 0.00 -0.53 0.00 0.00 39.78 39.74 2d9v n ASN 57 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2d9v s VAL 58 N -2.06 3.45 -0.01 3.44 1.01 -1.24 0.95 120.40 125.94 2d9v s VAL 58 Ca -0.03 0.73 -0.02 0.00 0.00 0.00 0.00 61.98 62.66 2d9v s VAL 58 Cb 0.01 -3.47 -0.27 0.00 0.00 0.00 0.00 36.38 32.65 2d9v s VAL 58 CO 0.08 -0.03 0.79 -0.09 0.00 0.00 0.00 175.10 175.85 2d9v h ARG 59 N 8.80 0.23 -1.85 2.72 2.43 -0.75 -3.46 114.38 122.49 2d9v h ARG 59 Ca -0.40 -0.39 0.19 0.00 -0.81 0.00 0.00 59.98 58.58 2d9v h ARG 59 Cb 1.18 0.14 -0.17 0.00 -0.42 0.00 0.00 29.97 30.71 2d9v h ARG 59 CO 0.94 1.07 0.66 0.16 -1.51 0.00 0.00 179.97 181.29 2d9v s ASP 60 N -6.90 -0.23 -0.04 -3.80 -4.77 -1.25 -4.99 116.67 94.68 2d9v s ASP 60 Ca -0.10 -0.02 -0.02 0.00 -3.30 0.00 0.00 52.55 49.11 2d9v s ASP 60 Cb 0.07 0.26 0.03 0.00 -1.09 0.00 0.00 42.92 42.19 2d9v s ASP 60 CO 0.84 -0.43 0.08 -0.63 0.70 0.00 0.00 175.17 175.74 2d9v s ILE 61 N -2.75 -0.09 0.30 2.11 1.01 -1.26 0.06 121.20 120.58 2d9v s ILE 61 Ca 0.08 0.26 0.08 0.00 0.00 0.00 0.00 60.65 61.07 2d9v s ILE 61 Cb -0.01 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.26 2d9v s ILE 61 CO -0.06 0.11 0.12 -0.54 0.00 0.00 0.00 174.94 174.57 2d9v s LYS 62 N 1.43 2.49 -0.02 2.79 -0.14 -0.47 -4.98 119.74 120.84 2d9v s LYS 62 Ca -0.05 -1.39 -0.14 0.00 -1.36 0.00 0.00 55.97 53.02 2d9v s LYS 62 Cb -0.12 -2.27 0.02 0.00 -1.68 0.00 0.00 37.83 33.78 2d9v s LYS 62 CO -0.04 0.24 0.30 0.08 -0.76 0.00 0.00 175.35 175.16 2d9v s VAL 63 N -2.33 0.06 0.00 3.17 1.01 -1.26 -1.83 120.40 119.21 2d9v s VAL 63 Ca 0.35 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2d9v s VAL 63 Cb -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.73 2d9v s VAL 63 CO 0.23 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.68 2d9v n GLY 64 N 1.35 3.23 0.23 4.51 0.00 -0.96 -2.40 105.19 111.16 2d9v n GLY 64 Ca -0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.60 2d9v n GLY 64 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2d9v h GLN 65 N 0.00 -0.00 -1.09 1.61 4.15 -1.94 0.25 115.11 118.09 2d9v h GLN 65 Ca 0.00 0.00 0.32 0.00 0.77 0.00 0.00 58.65 59.74 2d9v h GLN 65 Cb 0.00 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 2d9v h GLN 65 CO 0.00 -0.00 1.23 0.39 -1.93 0.00 0.00 178.83 178.51 2d9v n GLU 66 N -5.41 0.01 -0.91 1.69 1.02 -1.01 -4.55 120.64 111.49 2d9v n GLU 66 Ca 0.07 1.01 -0.36 0.00 -0.02 0.00 0.00 57.16 57.86 2d9v n GLU 66 Cb 0.31 -2.51 0.07 0.00 -0.02 0.00 0.00 31.44 29.29 2d9v n GLU 66 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2d9v n GLN 68 N 1.12 3.32 -3.75 0.00 3.00 -1.26 -4.61 117.38 115.20 2d9v n GLN 68 Ca -0.01 -3.22 -0.28 0.00 -0.01 0.00 0.00 57.00 53.47 2d9v n GLN 68 Cb 0.67 -3.08 -0.05 0.00 0.00 0.00 0.00 30.24 27.77 2d9v n GLN 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2d9v n ASP 69 N 4.97 -1.47 -4.73 1.08 -0.08 -1.26 -4.87 116.55 110.19 2d9v n ASP 69 Ca 0.44 -0.70 -0.35 0.00 -1.51 0.00 0.00 54.79 52.67 2d9v n ASP 69 Cb 0.38 -1.32 -0.08 0.00 2.34 0.00 0.00 41.12 42.44 2d9v n ASP 69 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2d9v s VAL 70 N -2.73 4.95 0.07 5.18 0.11 -1.26 -5.10 120.40 121.63 2d9v s VAL 70 Ca 0.56 0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 59.42 2d9v s VAL 70 Cb -0.32 -3.18 -0.07 0.00 -1.53 0.00 0.00 36.38 31.28 2d9v s VAL 70 CO 0.68 0.54 0.56 0.00 -3.33 0.00 0.00 175.10 173.55 2d9v s GLN 71 N -0.33 4.19 0.71 1.54 -2.07 -1.26 -5.00 119.66 117.43 2d9v s GLN 71 Ca 0.09 0.72 -0.13 0.00 -1.82 0.00 0.00 55.36 54.23 2d9v s GLN 71 Cb -0.12 -3.23 0.03 0.00 -1.09 0.00 0.00 33.01 28.59 2d9v s GLN 71 CO 0.02 0.64 1.10 -1.25 -1.32 0.00 0.00 175.29 174.48 2d9v s PRO 72 N -1.12 2.55 0.46 9.60 0.04 -1.26 -5.01 135.00 140.27 2d9v s PRO 72 Ca 0.29 1.29 -0.23 0.00 0.04 0.00 0.00 61.00 62.39 2d9v s PRO 72 Cb -0.19 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 2d9v s PRO 72 CO 0.19 -1.43 1.16 -1.25 0.04 0.00 0.00 177.00 175.71 2d9v s PRO 73 N -4.47 3.75 -0.11 0.56 0.04 -1.26 -4.89 135.00 128.61 2d9v s PRO 73 Ca 0.64 1.77 -0.41 0.00 0.04 0.00 0.00 61.00 63.04 2d9v s PRO 73 Cb -0.19 -2.39 -0.20 0.00 0.04 0.00 0.00 34.50 31.76 2d9v s PRO 73 CO 0.48 -0.56 1.22 -1.91 0.04 0.00 0.00 177.00 176.27 2d9v n GLU 74 N -0.51 0.10 0.00 4.56 0.00 -1.26 -1.64 120.64 121.89 2d9v n GLU 74 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.27 2d9v n GLU 74 Cb 0.48 -1.55 0.00 0.00 0.00 0.00 0.00 31.44 30.37 2d9v n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2d9v n GLY 75 N 2.18 2.43 3.26 8.31 0.00 -1.26 -5.03 105.19 115.09 2d9v n GLY 75 Ca 0.22 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 2d9v n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d9v n ARG 76 N 0.00 -2.93 -3.89 1.61 3.00 -0.65 -5.04 116.66 108.76 2d9v n ARG 76 Ca 0.00 -0.85 -0.25 0.00 -0.01 0.00 0.00 57.85 56.74 2d9v n ARG 76 Cb 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 32.46 30.59 2d9v n ARG 76 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2d9v s SER 77 N -2.34 4.66 0.13 0.55 0.01 -1.26 -4.79 113.70 110.65 2d9v s SER 77 Ca 0.59 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2d9v s SER 77 Cb -0.15 -0.00 -0.12 0.00 0.21 0.00 0.00 66.02 65.96 2d9v s SER 77 CO 0.57 -0.87 1.29 0.03 0.41 0.00 0.00 173.24 174.68 2d9v h ARG 78 N 0.98 0.22 0.00 12.44 3.08 -1.96 -3.09 114.38 126.05 2d9v h ARG 78 Ca -0.39 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.37 2d9v h ARG 78 Cb 1.28 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.43 2d9v h ARG 78 CO 0.61 1.05 0.00 -0.40 -1.07 0.00 0.00 179.97 180.15 2d9v n ASP 79 N -3.60 0.00 0.17 7.04 5.68 -1.26 -1.87 116.55 122.71 2d9v n ASP 79 Ca -0.05 0.44 0.10 0.00 -0.50 0.00 0.00 54.79 54.79 2d9v n ASP 79 Cb 0.88 -0.47 0.10 0.00 -1.14 0.00 0.00 41.12 40.50 2d9v n ASP 79 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2d9v h GLY 80 N 1.76 0.00 -3.59 6.12 0.00 -1.78 -3.38 103.07 102.20 2d9v h GLY 80 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2d9v h GLY 80 CO 0.00 0.00 -0.05 1.04 0.00 0.00 0.00 176.54 177.53 2d9v n LEU 81 N -2.99 1.87 -3.17 3.11 4.32 -0.78 -0.38 117.00 118.98 2d9v n LEU 81 Ca 0.02 0.94 0.04 0.00 -0.02 0.00 0.00 56.01 56.99 2d9v n LEU 81 Cb 0.57 -1.28 -0.01 0.00 -1.62 0.00 0.00 43.42 41.08 2d9v n LEU 81 CO 0.37 -2.07 0.22 -0.22 -1.22 0.00 0.00 177.39 174.47 2d9v s LEU 82 N -0.00 -1.26 0.01 2.23 2.96 0.11 -2.25 118.68 120.47 2d9v s LEU 82 Ca 0.66 0.83 0.04 0.00 -0.22 0.00 0.00 54.13 55.44 2d9v s LEU 82 Cb -0.54 2.08 -0.03 0.00 0.50 0.00 0.00 46.19 48.19 2d9v s LEU 82 CO 0.55 -0.24 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.36 2d9v s THR 83 N 2.87 3.43 -0.04 3.68 2.01 -0.76 -1.06 115.64 125.77 2d9v s THR 83 Ca 0.17 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.35 2d9v s THR 83 Cb -0.14 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 2d9v s THR 83 CO -0.20 0.38 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.23 2d9v s VAL 84 N -0.97 1.60 -0.14 3.82 1.01 -0.57 -1.36 120.40 123.78 2d9v s VAL 84 Ca 0.16 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 2d9v s VAL 84 Cb -0.11 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2d9v s VAL 84 CO 0.07 0.45 0.09 0.20 0.00 0.00 0.00 175.10 175.92 2d9v s ASN 85 N -0.12 5.95 -0.06 3.32 0.02 0.11 0.23 114.94 124.39 2d9v s ASN 85 Ca -0.01 0.28 -0.02 0.00 -1.02 0.00 0.00 52.86 52.08 2d9v s ASN 85 Cb -0.11 -1.93 -0.04 0.00 0.02 0.00 0.00 41.25 39.19 2d9v s ASN 85 CO 0.02 0.31 0.05 -0.76 0.02 0.00 0.00 177.10 176.74 2d9v s LEU 86 N -0.45 3.83 0.45 0.60 1.43 0.25 -0.06 118.68 124.73 2d9v s LEU 86 Ca 0.11 0.20 0.13 0.00 -1.03 0.00 0.00 54.13 53.54 2d9v s LEU 86 Cb -0.12 -2.01 1.00 0.00 0.03 0.00 0.00 46.19 45.10 2d9v s LEU 86 CO 0.02 0.35 2.02 0.08 0.23 0.00 0.00 176.35 179.05 2d9v h ARG 87 N 4.78 0.12 -0.50 1.70 0.11 0.27 -2.64 114.38 118.21 2d9v h ARG 87 Ca -0.51 -0.02 0.06 0.00 0.10 0.00 0.00 59.98 59.61 2d9v h ARG 87 Cb 1.20 -0.02 -0.05 0.00 1.11 0.00 0.00 29.97 32.20 2d9v h ARG 87 CO 0.57 0.20 0.20 1.05 0.10 0.00 0.00 179.97 182.10 2d9v h GLU 88 N 0.12 0.39 0.00 0.08 4.11 -1.95 -3.46 114.58 113.87 2d9v h GLU 88 Ca 0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2d9v h GLU 88 Cb 0.20 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2d9v h GLU 88 CO 0.01 0.26 0.00 0.41 0.07 0.00 0.00 179.01 179.76 2d9v n GLY 89 N -1.26 0.08 3.65 1.06 0.00 -1.00 -5.18 105.19 102.55 2d9v n GLY 89 Ca 0.05 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 2d9v n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9v s SER 90 N 0.00 -0.37 0.21 1.61 0.01 -1.24 -5.02 113.70 108.90 2d9v s SER 90 Ca 0.00 -0.29 0.09 0.00 1.31 0.00 0.00 55.95 57.06 2d9v s SER 90 Cb 0.00 0.61 -0.05 0.00 0.21 0.00 0.00 66.02 66.79 2d9v s SER 90 CO 0.00 -1.07 -0.17 0.00 0.41 0.00 0.00 173.24 172.41 2d9v s ARG 91 N -3.68 1.42 -0.31 12.44 1.70 -1.26 -0.58 118.95 128.68 2d9v s ARG 91 Ca 0.07 -1.59 0.02 0.00 -0.47 0.00 0.00 55.73 53.76 2d9v s ARG 91 Cb -0.03 -1.39 0.09 0.00 -0.57 0.00 0.00 34.95 33.05 2d9v s ARG 91 CO -0.03 0.26 0.05 -0.51 -1.08 0.00 0.00 175.30 173.99 2d9v s LEU 92 N -3.17 3.44 -0.29 -1.89 1.43 0.14 -4.95 118.68 113.38 2d9v s LEU 92 Ca 0.23 -1.80 -0.28 0.00 -1.03 0.00 0.00 54.13 51.25 2d9v s LEU 92 Cb -0.04 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.93 2d9v s LEU 92 CO 0.09 -0.37 1.02 -1.00 0.23 0.00 0.00 176.35 176.32 2d9v s HIS 93 N 1.26 3.21 0.14 0.29 3.76 -1.26 -1.51 115.29 121.17 2d9v s HIS 93 Ca 0.08 1.21 0.01 0.00 -0.15 0.00 0.00 55.06 56.21 2d9v s HIS 93 Cb -0.18 -3.49 -0.04 0.00 1.11 0.00 0.00 32.58 29.97 2d9v s HIS 93 CO -0.14 -0.65 0.01 -0.51 -0.85 0.00 0.00 174.74 172.59 2d9v s LEU 94 N 3.41 2.11 -0.13 0.89 1.43 -0.22 -2.99 118.68 123.17 2d9v s LEU 94 Ca 0.43 -1.14 -0.06 0.00 -1.03 0.00 0.00 54.13 52.33 2d9v s LEU 94 Cb -0.13 0.08 0.06 0.00 0.03 0.00 0.00 46.19 46.22 2d9v s LEU 94 CO 0.12 -0.61 0.30 0.00 0.23 0.00 0.00 176.35 176.39 2d9v s ALA 96 N 1.77 3.94 -0.04 0.00 0.00 0.49 -0.12 121.76 127.79 2d9v s ALA 96 Ca -0.05 -1.54 -0.23 0.00 0.00 0.00 0.00 51.96 50.13 2d9v s ALA 96 Cb -0.11 -1.98 -0.24 0.00 0.00 0.00 0.00 23.12 20.79 2d9v s ALA 96 CO -0.10 -0.96 1.02 1.05 0.00 0.00 0.00 175.76 176.78 2d9v h GLU 97 N -0.08 0.22 -5.57 0.00 4.11 -1.87 -3.41 114.58 107.98 2d9v h GLU 97 Ca -0.39 -0.25 -0.51 0.00 0.07 0.00 0.00 59.36 58.28 2d9v h GLU 97 Cb 1.29 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.47 2d9v h GLU 97 CO 0.47 0.98 -0.67 0.95 0.07 0.00 0.00 179.01 180.81 2d9v s THR 98 N -3.06 1.73 -0.76 -1.06 -4.23 -1.26 -4.40 115.64 102.59 2d9v s THR 98 Ca -0.15 -2.13 0.18 0.00 -1.18 0.00 0.00 61.69 58.40 2d9v s THR 98 Cb 0.01 -2.50 0.17 0.00 1.34 0.00 0.00 72.50 71.52 2d9v s THR 98 CO 0.76 -0.27 1.55 -2.11 -0.54 0.00 0.00 174.62 174.01 2d9v n ARG 99 N -0.62 0.08 0.00 3.99 1.85 -1.26 -3.02 116.66 117.67 2d9v n ARG 99 Ca -0.05 0.35 -0.10 0.00 -1.00 0.00 0.00 57.85 57.05 2d9v n ARG 99 Cb 0.64 -1.67 -0.08 0.00 -1.05 0.00 0.00 32.46 30.30 2d9v n ARG 99 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2d9v h ASP 100 N 0.00 -0.10 -0.82 2.89 3.32 -1.95 -3.08 116.42 116.68 2d9v h ASP 100 Ca 0.00 -0.47 0.03 0.00 0.02 0.00 0.00 57.03 56.61 2d9v h ASP 100 Cb 0.27 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 2d9v h ASP 100 CO 0.00 0.57 0.54 0.44 -1.72 0.00 0.00 179.24 179.07 2d9v h ASP 101 N -0.91 0.88 0.00 6.45 5.19 -1.96 -2.26 116.42 123.82 2d9v h ASP 101 Ca -0.01 -0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.40 2d9v h ASP 101 Cb 0.56 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 2d9v h ASP 101 CO 0.02 0.61 -0.10 0.00 -3.12 0.00 0.00 179.24 176.65 2d9v h ALA 102 N 1.52 -0.11 -0.40 3.45 0.00 -1.63 -2.38 119.26 119.70 2d9v h ALA 102 Ca 0.32 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.26 2d9v h ALA 102 Cb 0.01 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2d9v h ALA 102 CO -0.09 -0.59 0.23 0.82 0.00 0.00 0.00 179.25 179.62 2d9v h ILE 103 N -0.17 1.04 -0.78 0.00 2.04 -1.37 -1.70 117.51 116.57 2d9v h ILE 103 Ca 0.04 -0.16 0.16 0.00 1.00 0.00 0.00 64.86 65.90 2d9v h ILE 103 Cb 0.22 0.52 -0.11 0.00 -0.74 0.00 0.00 36.82 36.72 2d9v h ILE 103 CO -0.10 0.09 0.28 0.00 0.00 0.00 0.00 178.15 178.42 2d9v h ALA 104 N 1.18 1.11 -0.28 1.87 0.00 -1.13 0.49 119.26 122.49 2d9v h ALA 104 Ca 0.16 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 2d9v h ALA 104 Cb 0.01 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2d9v h ALA 104 CO -0.07 -0.27 -0.13 -1.49 0.00 0.00 0.00 179.25 177.28 2d9v h TRP 105 N 0.39 0.67 -0.81 0.00 -0.00 -0.98 0.39 115.95 115.61 2d9v h TRP 105 Ca 0.44 -0.17 0.06 0.00 -0.00 0.00 0.00 58.89 59.23 2d9v h TRP 105 Cb 0.74 -0.16 -0.06 0.00 -0.00 0.00 0.00 29.16 29.68 2d9v h TRP 105 CO -0.19 0.82 0.50 -0.22 -0.00 0.00 0.00 178.44 179.35 2d9v h LYS 106 N 0.33 0.88 -0.04 0.49 3.64 -0.28 0.29 116.57 121.89 2d9v h LYS 106 Ca 0.06 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 2d9v h LYS 106 Cb 0.65 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2d9v h LYS 106 CO 0.04 0.58 -0.36 1.15 -2.27 0.00 0.00 179.45 178.60 2d9v h THR 107 N 0.91 1.46 -0.02 1.00 2.02 -0.89 0.73 112.91 118.11 2d9v h THR 107 Ca 0.36 -1.85 -0.02 0.00 0.77 0.00 0.00 66.41 65.67 2d9v h THR 107 Cb 0.17 2.49 -0.00 0.00 -1.74 0.00 0.00 68.15 69.07 2d9v h THR 107 CO -0.17 0.53 -0.08 0.00 0.37 0.00 0.00 175.52 176.16 2d9v h ALA 108 N 0.36 1.83 0.00 6.16 0.00 -0.63 -1.08 119.26 125.91 2d9v h ALA 108 Ca -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2d9v h ALA 108 Cb 1.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2d9v h ALA 108 CO 0.07 0.13 -0.41 -0.07 0.00 0.00 0.00 179.25 178.97 2d9v h LEU 109 N 0.02 0.00 -1.68 0.00 3.38 -0.43 -3.04 115.31 113.57 2d9v h LEU 109 Ca 0.01 -0.30 0.24 0.00 0.09 0.00 0.00 57.88 57.92 2d9v h LEU 109 Cb 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 2d9v h LEU 109 CO 0.01 0.88 0.64 0.24 0.09 0.00 0.00 178.44 180.30 2d9v h MET 110 N -1.00 0.23 0.21 1.13 2.86 -0.82 0.64 114.93 118.18 2d9v h MET 110 Ca -0.07 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2d9v h MET 110 Cb 0.62 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2d9v h MET 110 CO -0.04 0.15 -0.10 0.93 1.06 0.00 0.00 176.91 178.91 2d9v h GLU 111 N 0.24 -0.27 -1.06 1.72 4.39 -1.33 -2.86 114.58 115.41 2d9v h GLU 111 Ca 0.48 0.02 0.29 0.00 0.34 0.00 0.00 59.36 60.49 2d9v h GLU 111 Cb 1.48 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 30.12 2d9v h GLU 111 CO -0.13 -0.18 0.72 0.00 -1.16 0.00 0.00 179.01 178.26 2d9v h ALA 112 N -1.49 2.62 -0.29 3.43 0.00 -1.34 0.58 119.26 122.77 2d9v h ALA 112 Ca -0.03 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2d9v h ALA 112 Cb 0.21 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2d9v h ALA 112 CO 0.05 -0.97 -0.28 -0.97 0.00 0.00 0.00 179.25 177.08 2d9v h ASN 113 N 0.20 0.58 -0.61 0.00 -1.24 -0.94 -3.16 115.58 110.42 2d9v h ASN 113 Ca 0.55 -0.21 -0.43 0.00 0.71 0.00 0.00 56.30 56.91 2d9v h ASN 113 Cb 1.77 -0.16 -0.32 0.00 0.73 0.00 0.00 38.32 40.34 2d9v h ASN 113 CO -0.15 0.84 -0.58 -1.54 -1.29 0.00 0.00 177.43 174.71 2d9v n SER 114 N -4.10 4.39 -3.31 1.15 3.41 0.16 0.14 113.62 115.47 2d9v n SER 114 Ca -0.00 -3.79 -0.08 0.00 -0.26 0.00 0.00 58.87 54.74 2d9v n SER 114 Cb 0.44 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 2d9v n SER 114 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2d9v s THR 115 N -4.28 -0.66 1.11 6.66 2.01 0.98 -4.95 115.64 116.51 2d9v s THR 115 Ca 0.49 -0.17 -0.16 0.00 0.31 0.00 0.00 61.69 62.16 2d9v s THR 115 Cb 0.41 -0.92 0.24 0.00 0.01 0.00 0.00 72.50 72.25 2d9v s THR 115 CO 0.01 -0.19 1.10 -2.16 -0.69 0.00 0.00 174.62 172.70 2d9v s PRO 116 N 2.58 -0.50 -0.78 4.92 0.04 -1.26 -4.63 135.00 135.37 2d9v s PRO 116 Ca 0.12 0.20 -0.03 0.00 0.04 0.00 0.00 61.00 61.32 2d9v s PRO 116 Cb -0.14 -1.66 0.20 0.00 0.04 0.00 0.00 34.50 32.94 2d9v s PRO 116 CO -0.23 -3.28 0.64 0.00 0.04 0.00 0.00 177.00 174.17 2d9v s ALA 117 N -2.99 3.97 -0.98 8.56 0.00 -1.26 -5.02 121.76 124.04 2d9v s ALA 117 Ca 0.68 -3.58 -0.24 0.00 0.00 0.00 0.00 51.96 48.83 2d9v s ALA 117 Cb -0.14 -2.81 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 2d9v s ALA 117 CO 0.57 -2.14 1.94 -1.25 0.00 0.00 0.00 175.76 174.88 2d9v s PRO 118 N -0.74 2.54 -0.29 0.00 0.04 -1.26 -4.85 135.00 130.44 2d9v s PRO 118 Ca 0.23 -0.55 -0.14 0.00 0.04 0.00 0.00 61.00 60.58 2d9v s PRO 118 Cb -0.13 -5.12 0.11 0.00 0.04 0.00 0.00 34.50 29.41 2d9v s PRO 118 CO -0.08 -3.56 0.73 0.00 0.04 0.00 0.00 177.00 174.12 2d9v s ALA 119 N 10.37 -2.03 -0.42 8.56 0.00 -1.26 -5.08 121.76 131.89 2d9v s ALA 119 Ca 0.70 2.36 0.05 0.00 0.00 0.00 0.00 51.96 55.07 2d9v s ALA 119 Cb -0.05 -1.61 0.31 0.00 0.00 0.00 0.00 23.12 21.77 2d9v s ALA 119 CO 0.03 -0.59 1.18 0.41 0.00 0.00 0.00 175.76 176.79 2d9v n GLY 120 N 4.67 -0.06 3.45 0.00 0.00 -1.26 -5.15 105.19 106.83 2d9v n GLY 120 Ca -0.17 0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2d9v n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d9v n ALA 121 N 0.52 -1.94 0.12 4.61 0.00 -1.26 -4.94 120.51 117.63 2d9v n ALA 121 Ca 0.03 -0.39 -0.24 0.00 0.00 0.00 0.00 53.44 52.84 2d9v n ALA 121 Cb 0.71 -1.84 -0.16 0.00 0.00 0.00 0.00 19.45 18.17 2d9v n ALA 121 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2d9v h THR 122 N -0.86 1.16 -3.34 0.00 1.35 -2.06 -3.45 112.91 105.71 2d9v h THR 122 Ca -0.45 -2.64 -0.54 0.00 -0.55 0.00 0.00 66.41 62.23 2d9v h THR 122 Cb 1.32 2.94 -0.02 0.00 -1.73 0.00 0.00 68.15 70.66 2d9v h THR 122 CO 0.39 0.83 0.44 0.54 -0.25 0.00 0.00 175.52 177.47 2d9v s VAL 123 N -2.59 4.69 -0.02 6.82 0.11 -1.26 -5.00 120.40 123.15 2d9v s VAL 123 Ca -0.11 1.94 -0.30 0.00 -2.93 0.00 0.00 61.98 60.57 2d9v s VAL 123 Cb 0.05 -4.24 -0.05 0.00 -1.53 0.00 0.00 36.38 30.60 2d9v s VAL 123 CO 0.91 0.13 1.47 -2.16 -3.33 0.00 0.00 175.10 172.12 2d9v s PRO 124 N 1.19 4.24 0.10 1.54 0.04 -1.26 -5.02 135.00 135.83 2d9v s PRO 124 Ca 0.53 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.66 2d9v s PRO 124 Cb -0.22 -3.69 -0.03 0.00 0.04 0.00 0.00 34.50 30.59 2d9v s PRO 124 CO 0.27 -0.67 -0.19 -1.54 0.04 0.00 0.00 177.00 174.91 2d9v s SER 125 N 2.28 2.32 -0.09 6.66 1.04 -1.26 -5.15 113.70 119.49 2d9v s SER 125 Ca 0.66 -0.70 -0.14 0.00 0.48 0.00 0.00 55.95 56.25 2d9v s SER 125 Cb -0.32 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 65.72 2d9v s SER 125 CO 0.26 0.00 0.35 -0.83 0.98 0.00 0.00 173.24 174.01 2d9v s GLY 126 N -1.99 -0.24 -0.88 7.32 0.00 -1.26 -5.09 107.32 105.18 2d9v s GLY 126 Ca 0.06 0.78 -0.25 0.00 0.00 0.00 0.00 44.72 45.31 2d9v s GLY 126 CO 0.04 0.61 1.94 2.56 0.00 0.00 0.00 173.10 178.25 2d9v s PRO 127 N -0.37 2.56 -0.68 2.90 0.04 -1.26 -4.92 135.00 133.27 2d9v s PRO 127 Ca -0.05 -0.21 -0.15 0.00 0.04 0.00 0.00 61.00 60.63 2d9v s PRO 127 Cb -0.03 -5.00 0.17 0.00 0.04 0.00 0.00 34.50 29.67 2d9v s PRO 127 CO 0.02 -3.32 0.63 -1.54 0.04 0.00 0.00 177.00 172.83 2d9v s SER 128 N 8.05 6.46 -0.19 6.66 1.04 -1.26 -5.04 113.70 129.42 2d9v s SER 128 Ca 0.70 -2.20 -0.07 0.00 0.48 0.00 0.00 55.95 54.86 2d9v s SER 128 Cb -0.07 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 2d9v s SER 128 CO 0.01 -0.74 0.05 -0.55 0.98 0.00 0.00 173.24 173.00 2d9v s SER 129 N 2.95 5.50 0.00 7.02 0.15 -1.26 -5.34 113.70 122.72 2d9v s SER 129 Ca 0.10 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.79 2d9v s SER 129 Cb -0.21 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 2d9v s SER 129 CO -0.02 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.18