#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 -0.40 0.39 1.61 0.01 -1.26 -5.18 113.70 108.87 2d9v s SER 2 Ca 0.00 0.61 0.06 0.00 1.31 0.00 0.00 55.95 57.93 2d9v s SER 2 Cb 0.00 1.28 -0.07 0.00 0.21 0.00 0.00 66.02 67.44 2d9v s SER 2 CO 0.00 -0.09 0.02 -0.94 0.41 0.00 0.00 173.24 172.64 2d9v s SER 3 N 1.64 3.52 0.00 2.44 1.04 -1.26 -4.96 113.70 116.13 2d9v s SER 3 Ca -0.06 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 54.98 2d9v s SER 3 Cb -0.04 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2d9v s SER 3 CO -0.15 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2d9v n GLY 4 N -0.92 -0.33 3.47 7.32 0.00 -1.26 -5.12 105.19 108.36 2d9v n GLY 4 Ca -0.05 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 2d9v n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d9v s SER 5 N -1.62 -0.52 0.63 1.61 1.04 -1.26 -5.15 113.70 108.42 2d9v s SER 5 Ca 0.00 0.14 -0.18 0.00 0.48 0.00 0.00 55.95 56.40 2d9v s SER 5 Cb 0.00 0.51 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 2d9v s SER 5 CO 0.00 -0.78 0.78 -1.20 0.98 0.00 0.00 173.24 173.02 2d9v n SER 6 N -0.06 -0.06 -4.42 7.02 7.64 -1.26 -4.89 113.62 117.58 2d9v n SER 6 Ca -0.15 0.73 -0.45 0.00 1.01 0.00 0.00 58.87 60.02 2d9v n SER 6 Cb 0.62 -1.31 -0.01 0.00 -1.01 0.00 0.00 64.21 62.50 2d9v n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d9v s GLY 7 N -1.32 2.43 -0.06 0.23 0.00 -1.26 -5.00 107.32 102.33 2d9v s GLY 7 Ca 0.73 -3.23 0.01 0.00 0.00 0.00 0.00 44.72 42.22 2d9v s GLY 7 CO 0.51 1.78 -0.06 -2.27 0.00 0.00 0.00 173.10 173.06 2d9v s LEU 8 N 1.25 3.23 -0.14 0.66 0.20 -1.26 -1.53 118.68 121.08 2d9v s LEU 8 Ca 0.33 -0.01 -0.13 0.00 0.69 0.00 0.00 54.13 55.01 2d9v s LEU 8 Cb -0.06 -1.72 -0.04 0.00 -0.43 0.00 0.00 46.19 43.94 2d9v s LEU 8 CO -0.06 0.36 -0.25 0.52 -0.29 0.00 0.00 176.35 176.63 2d9v n VAL 9 N 2.15 1.20 -4.12 1.68 0.31 -0.53 -4.96 118.33 114.05 2d9v n VAL 9 Ca -0.18 0.22 -0.15 0.00 -0.01 0.00 0.00 64.34 64.23 2d9v n VAL 9 Cb 0.53 -2.20 -0.13 0.00 -0.91 0.00 0.00 33.84 31.13 2d9v n VAL 9 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2d9v s ARG 10 N -2.42 0.48 -0.25 5.55 6.06 -1.26 -4.99 118.95 122.12 2d9v s ARG 10 Ca -0.21 -0.45 -0.02 0.00 -2.50 0.00 0.00 55.73 52.55 2d9v s ARG 10 Cb 0.03 -0.36 0.13 0.00 0.06 0.00 0.00 34.95 34.81 2d9v s ARG 10 CO 0.31 0.09 0.35 0.20 -2.50 0.00 0.00 175.30 173.75 2d9v s GLY 11 N -0.79 -0.36 0.12 8.12 0.00 -1.26 -1.40 107.32 111.76 2d9v s GLY 11 Ca -0.03 0.60 -0.10 0.00 0.00 0.00 0.00 44.72 45.19 2d9v s GLY 11 CO 0.00 2.66 0.25 -0.32 0.00 0.00 0.00 173.10 175.68 2d9v s GLY 12 N 2.50 0.19 0.07 0.20 0.00 -0.89 -4.99 107.32 104.39 2d9v s GLY 12 Ca 0.11 -0.65 -0.29 0.00 0.00 0.00 0.00 44.72 43.89 2d9v s GLY 12 CO -0.19 -0.76 0.95 -0.98 0.00 0.00 0.00 173.10 172.11 2d9v s TRP 13 N -3.89 3.76 -0.01 1.90 0.52 -1.26 -2.18 118.94 117.77 2d9v s TRP 13 Ca 0.09 1.74 -0.01 0.00 0.02 0.00 0.00 56.10 57.94 2d9v s TRP 13 Cb 0.04 -3.05 0.00 0.00 -1.15 0.00 0.00 33.47 29.31 2d9v s TRP 13 CO -0.07 0.15 0.03 -0.51 0.02 0.00 0.00 176.95 176.56 2d9v s LEU 14 N 0.31 1.84 -0.20 2.99 1.43 0.70 -4.91 118.68 120.84 2d9v s LEU 14 Ca 0.48 0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 53.34 2d9v s LEU 14 Cb -0.22 0.08 -0.01 0.00 0.03 0.00 0.00 46.19 46.07 2d9v s LEU 14 CO 0.29 -0.02 1.24 0.26 0.23 0.00 0.00 176.35 178.35 2d9v s TRP 15 N 0.08 2.88 0.08 0.29 0.52 -1.00 -2.01 118.94 119.79 2d9v s TRP 15 Ca -0.01 1.04 0.05 0.00 0.02 0.00 0.00 56.10 57.21 2d9v s TRP 15 Cb -0.01 -3.54 -0.04 0.00 -1.15 0.00 0.00 33.47 28.73 2d9v s TRP 15 CO -0.00 -1.54 -0.04 0.50 0.02 0.00 0.00 176.95 175.89 2d9v s ARG 16 N 3.58 2.41 -0.37 4.98 3.52 0.05 0.10 118.95 133.22 2d9v s ARG 16 Ca 0.53 -0.88 -0.04 0.00 -0.13 0.00 0.00 55.73 55.21 2d9v s ARG 16 Cb -0.20 -2.46 0.08 0.00 -1.56 0.00 0.00 34.95 30.81 2d9v s ARG 16 CO 0.15 0.54 0.14 -1.14 -0.81 0.00 0.00 175.30 174.18 2d9v s GLN 17 N -2.16 2.28 1.08 5.12 0.74 -0.63 -0.54 119.66 125.55 2d9v s GLN 17 Ca 0.23 -1.54 -0.16 0.00 0.05 0.00 0.00 55.36 53.94 2d9v s GLN 17 Cb -0.11 -3.48 0.16 0.00 1.10 0.00 0.00 33.01 30.67 2d9v s GLN 17 CO 0.15 -0.88 0.22 -1.13 -0.55 0.00 0.00 175.29 173.10 2d9v n SER 18 N 4.67 -2.90 -0.01 6.67 3.41 -1.04 -4.65 113.62 119.78 2d9v n SER 18 Ca -0.08 -0.34 0.04 0.00 -0.26 0.00 0.00 58.87 58.24 2d9v n SER 18 Cb 0.42 -0.83 -0.07 0.00 -0.26 0.00 0.00 64.21 63.47 2d9v n SER 18 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2d9v n SER 19 N -1.60 2.86 -0.05 4.04 3.41 -1.26 -3.63 113.62 117.39 2d9v n SER 19 Ca 0.05 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.46 2d9v n SER 19 Cb 0.46 1.38 -0.13 0.00 -0.26 0.00 0.00 64.21 65.66 2d9v n SER 19 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2d9v n ILE 20 N -1.86 1.67 0.04 -1.33 -0.00 -1.26 -4.41 119.36 112.21 2d9v n ILE 20 Ca -0.03 -0.62 0.09 0.00 -0.00 0.00 0.00 62.75 62.19 2d9v n ILE 20 Cb 0.28 -1.60 -0.09 0.00 -0.00 0.00 0.00 39.64 38.23 2d9v n ILE 20 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 2d9v n LEU 21 N -3.39 0.46 -3.76 1.39 7.94 -1.26 -4.99 117.00 113.39 2d9v n LEU 21 Ca -0.37 0.18 -0.22 0.00 -1.11 0.00 0.00 56.01 54.49 2d9v n LEU 21 Cb 1.03 0.00 0.02 0.00 0.53 0.00 0.00 43.42 45.00 2d9v n LEU 21 CO 0.36 -0.05 -0.10 0.54 -1.11 0.00 0.00 177.39 177.03 2d9v n ARG 22 N -2.53 -4.56 -4.01 1.96 1.74 -1.24 -4.99 116.66 103.03 2d9v n ARG 22 Ca -0.04 0.57 -0.09 0.00 -0.77 0.00 0.00 57.85 57.52 2d9v n ARG 22 Cb 0.61 -5.04 -0.11 0.00 -1.02 0.00 0.00 32.46 26.91 2d9v n ARG 22 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2d9v s ARG 23 N -6.11 0.39 0.40 5.56 3.52 -1.26 -4.91 118.95 116.54 2d9v s ARG 23 Ca 0.01 -0.73 -0.23 0.00 -0.13 0.00 0.00 55.73 54.65 2d9v s ARG 23 Cb -0.01 0.06 -0.10 0.00 -1.56 0.00 0.00 34.95 33.34 2d9v s ARG 23 CO 0.83 -0.04 0.97 -1.58 -0.81 0.00 0.00 175.30 174.67 2d9v s TRP 24 N -1.82 3.39 -0.14 5.12 0.52 -1.26 -2.48 118.94 122.26 2d9v s TRP 24 Ca -0.11 1.66 -0.19 0.00 0.02 0.00 0.00 56.10 57.48 2d9v s TRP 24 Cb -0.07 -2.94 0.05 0.00 -1.15 0.00 0.00 33.47 29.36 2d9v s TRP 24 CO -0.02 -0.17 0.51 -1.59 0.02 0.00 0.00 176.95 175.69 2d9v s LYS 25 N -2.74 0.69 -0.10 4.98 0.00 0.30 -4.92 119.74 117.94 2d9v s LYS 25 Ca 0.58 0.49 -0.30 0.00 0.00 0.00 0.00 55.97 56.74 2d9v s LYS 25 Cb -0.15 0.33 -0.02 0.00 0.00 0.00 0.00 37.83 37.99 2d9v s LYS 25 CO 0.19 -0.13 1.22 1.03 0.00 0.00 0.00 175.35 177.66 2d9v s ARG 26 N -0.24 4.30 0.08 1.78 0.52 -1.26 -0.77 118.95 123.36 2d9v s ARG 26 Ca -0.04 1.66 0.03 0.00 -0.52 0.00 0.00 55.73 56.86 2d9v s ARG 26 Cb -0.03 -3.64 -0.03 0.00 0.52 0.00 0.00 34.95 31.76 2d9v s ARG 26 CO 0.03 -0.56 -0.08 1.21 0.02 0.00 0.00 175.30 175.92 2d9v s ASN 27 N 1.68 1.20 -0.40 0.23 3.84 -0.85 -4.97 114.94 115.66 2d9v s ASN 27 Ca 0.55 -0.80 -0.09 0.00 0.21 0.00 0.00 52.86 52.73 2d9v s ASN 27 Cb -0.23 0.04 0.07 0.00 -0.55 0.00 0.00 41.25 40.58 2d9v s ASN 27 CO 0.19 -0.31 0.23 0.86 -2.79 0.00 0.00 177.10 175.28 2d9v s TRP 28 N -2.51 3.32 -0.03 0.43 -0.00 -1.03 -0.22 118.94 118.90 2d9v s TRP 28 Ca 0.03 -1.44 -0.10 0.00 -0.00 0.00 0.00 56.10 54.58 2d9v s TRP 28 Cb -0.02 -2.81 -0.05 0.00 -0.00 0.00 0.00 33.47 30.59 2d9v s TRP 28 CO -0.01 -0.81 0.29 -0.06 -0.00 0.00 0.00 176.95 176.36 2d9v s PHE 29 N 1.44 3.65 -0.07 5.86 0.40 -0.93 -2.39 117.98 125.94 2d9v s PHE 29 Ca 0.02 0.76 -0.03 0.00 -0.60 0.00 0.00 56.93 57.08 2d9v s PHE 29 Cb -0.22 -2.11 0.04 0.00 0.51 0.00 0.00 43.02 41.24 2d9v s PHE 29 CO 0.03 0.66 0.14 0.00 0.70 0.00 0.00 175.22 176.75 2d9v s ALA 30 N -1.12 -0.22 0.01 5.36 0.00 -1.04 -2.10 121.76 122.64 2d9v s ALA 30 Ca 0.22 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 52.64 2d9v s ALA 30 Cb -0.14 -0.52 -0.06 0.00 0.00 0.00 0.00 23.12 22.40 2d9v s ALA 30 CO 0.11 -0.24 0.47 -1.17 0.00 0.00 0.00 175.76 174.93 2d9v s LEU 31 N 1.40 4.46 0.32 0.00 2.96 -0.49 -3.22 118.68 124.12 2d9v s LEU 31 Ca -0.07 1.04 0.07 0.00 -0.22 0.00 0.00 54.13 54.96 2d9v s LEU 31 Cb -0.12 -2.71 -0.03 0.00 0.50 0.00 0.00 46.19 43.84 2d9v s LEU 31 CO -0.06 0.26 0.30 0.26 -1.32 0.00 0.00 176.35 175.80 2d9v s TRP 32 N -0.83 2.97 0.14 5.38 0.52 -0.85 -1.46 118.94 124.82 2d9v s TRP 32 Ca 0.26 -0.26 0.01 0.00 0.02 0.00 0.00 56.10 56.13 2d9v s TRP 32 Cb -0.17 -1.76 -0.07 0.00 -1.15 0.00 0.00 33.47 30.32 2d9v s TRP 32 CO 0.15 0.21 1.33 -0.07 0.02 0.00 0.00 176.95 178.59 2d9v h LEU 33 N 1.24 0.29 -2.26 2.99 3.38 -1.60 -3.15 115.31 116.20 2d9v h LEU 33 Ca -0.46 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.30 2d9v h LEU 33 Cb 1.25 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2d9v h LEU 33 CO 0.58 1.08 0.24 -2.24 0.09 0.00 0.00 178.44 178.19 2d9v h ASP 34 N 0.11 0.00 0.00 -0.43 3.04 -1.96 -3.45 116.42 113.73 2d9v h ASP 34 Ca -0.06 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.73 2d9v h ASP 34 Cb 1.60 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.89 2d9v h ASP 34 CO 0.15 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.96 2d9v n GLY 35 N -1.30 0.97 3.17 7.15 0.00 -1.19 -4.86 105.19 109.13 2d9v n GLY 35 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.91 0.87 -0.17 2.61 -4.23 -1.26 -0.26 115.64 111.30 2d9v s THR 36 Ca 0.00 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 2d9v s THR 36 Cb 0.00 -1.36 0.04 0.00 1.34 0.00 0.00 72.50 72.52 2d9v s THR 36 CO 0.00 -0.60 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.16 2d9v s LEU 37 N -2.48 1.86 -0.02 4.79 2.96 0.11 -2.01 118.68 123.88 2d9v s LEU 37 Ca 0.05 -0.67 0.06 0.00 -0.22 0.00 0.00 54.13 53.35 2d9v s LEU 37 Cb -0.02 -1.11 -0.01 0.00 0.50 0.00 0.00 46.19 45.55 2d9v s LEU 37 CO -0.01 -0.13 -0.20 -0.83 -1.32 0.00 0.00 176.35 173.87 2d9v s GLY 38 N 1.50 0.97 -0.18 7.98 0.00 -1.20 -0.16 107.32 116.24 2d9v s GLY 38 Ca 0.01 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 43.91 2d9v s GLY 38 CO -0.09 -0.65 -0.15 -2.52 0.00 0.00 0.00 173.10 169.69 2d9v s TYR 39 N -0.37 2.52 0.39 1.90 1.13 -1.23 -2.50 117.35 119.19 2d9v s TYR 39 Ca 0.05 -1.54 0.08 0.00 -1.41 0.00 0.00 57.07 54.25 2d9v s TYR 39 Cb -0.09 -1.75 -0.03 0.00 -1.10 0.00 0.00 41.96 38.99 2d9v s TYR 39 CO -0.00 -0.75 0.26 0.71 -2.51 0.00 0.00 175.55 173.26 2d9v s TYR 40 N 1.37 2.71 0.11 -3.49 1.51 -1.01 -3.72 117.35 114.83 2d9v s TYR 40 Ca 0.03 -0.46 -0.28 0.00 -1.01 0.00 0.00 57.07 55.34 2d9v s TYR 40 Cb -0.14 -1.94 -0.10 0.00 -0.11 0.00 0.00 41.96 39.67 2d9v s TYR 40 CO -0.11 0.11 1.63 0.45 -1.11 0.00 0.00 175.55 176.53 2d9v h HIS 41 N 1.29 -0.74 -1.53 2.71 3.86 -1.88 -2.72 115.15 116.14 2d9v h HIS 41 Ca -0.43 0.01 -0.62 0.00 -1.16 0.00 0.00 60.37 58.18 2d9v h HIS 41 Cb 1.26 0.30 -0.13 0.00 1.06 0.00 0.00 27.41 29.90 2d9v h HIS 41 CO 0.57 -0.39 -0.53 -0.51 0.86 0.00 0.00 177.93 177.94 2d9v s ASP 42 N -4.77 3.46 0.62 2.45 1.11 -1.26 -4.11 116.67 114.18 2d9v s ASP 42 Ca -0.16 -1.63 0.38 0.00 0.18 0.00 0.00 52.55 51.33 2d9v s ASP 42 Cb 0.07 0.42 2.08 0.00 1.07 0.00 0.00 42.92 46.57 2d9v s ASP 42 CO 0.65 -0.85 2.27 1.05 1.18 0.00 0.00 175.17 179.47 2d9v h GLU 43 N 1.60 0.00 -0.04 8.23 9.09 -1.92 -1.71 114.58 129.83 2d9v h GLU 43 Ca -0.40 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.02 2d9v h GLU 43 Cb 1.29 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.39 2d9v h GLU 43 CO 0.67 0.01 0.06 1.79 0.05 0.00 0.00 179.01 181.59 2d9v h THR 44 N 0.00 0.44 -6.27 -1.06 1.35 -1.97 -3.46 112.91 101.94 2d9v h THR 44 Ca -0.00 0.00 -0.46 0.00 -0.55 0.00 0.00 66.41 65.40 2d9v h THR 44 Cb 0.10 0.95 -0.02 0.00 -1.73 0.00 0.00 68.15 67.45 2d9v h THR 44 CO 0.00 0.00 -0.79 0.00 -0.25 0.00 0.00 175.52 174.48 2d9v n ALA 45 N -2.28 -1.55 -0.08 6.62 0.00 -0.64 -4.91 120.51 117.66 2d9v n ALA 45 Ca -0.02 0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 2d9v n ALA 45 Cb 0.15 -3.48 -0.09 0.00 0.00 0.00 0.00 19.45 16.03 2d9v n ALA 45 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2d9v h GLN 46 N -1.98 0.00 -5.32 0.00 4.20 -1.89 -3.43 115.11 106.69 2d9v h GLN 46 Ca -0.59 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 57.46 2d9v h GLN 46 Cb 1.37 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.99 2d9v h GLN 46 CO 0.64 0.69 0.29 0.34 -0.67 0.00 0.00 178.83 180.12 2d9v s ASP 47 N -6.26 6.26 -0.70 1.46 -1.08 -1.26 -5.00 116.67 110.09 2d9v s ASP 47 Ca -0.19 -0.75 -0.27 0.00 -0.52 0.00 0.00 52.55 50.82 2d9v s ASP 47 Cb 0.01 -2.36 0.02 0.00 -1.46 0.00 0.00 42.92 39.14 2d9v s ASP 47 CO 0.47 -1.08 1.38 -0.70 0.52 0.00 0.00 175.17 175.76 2d9v s GLU 48 N 3.25 3.12 0.01 4.34 2.12 -1.26 -4.06 118.70 126.22 2d9v s GLU 48 Ca 0.21 -0.03 -0.25 0.00 0.36 0.00 0.00 54.97 55.26 2d9v s GLU 48 Cb -0.17 -4.20 -0.19 0.00 0.26 0.00 0.00 34.13 29.83 2d9v s GLU 48 CO 0.14 -2.21 1.38 0.93 -0.54 0.00 0.00 175.26 174.96 2d9v h GLU 49 N 10.90 0.01 -2.15 4.30 5.08 -1.95 -3.48 114.58 127.29 2d9v h GLU 49 Ca -0.27 -0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.30 2d9v h GLU 49 Cb 1.07 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.24 2d9v h GLU 49 CO 1.26 0.38 0.61 0.34 -1.00 0.00 0.00 179.01 180.60 2d9v s ASP 50 N -5.58 -0.10 -0.12 1.42 2.15 -1.26 -5.08 116.67 108.09 2d9v s ASP 50 Ca -0.15 -0.39 -0.05 0.00 0.43 0.00 0.00 52.55 52.39 2d9v s ASP 50 Cb 0.03 0.40 0.06 0.00 -0.30 0.00 0.00 42.92 43.10 2d9v s ASP 50 CO 0.67 -0.75 0.26 -0.60 -0.17 0.00 0.00 175.17 174.58 2d9v s ARG 51 N -2.80 0.18 -0.15 4.34 3.52 -1.26 -3.51 118.95 119.27 2d9v s ARG 51 Ca 0.15 0.64 0.01 0.00 -0.13 0.00 0.00 55.73 56.40 2d9v s ARG 51 Cb -0.00 -0.08 -0.00 0.00 -1.56 0.00 0.00 34.95 33.31 2d9v s ARG 51 CO 0.01 -0.22 -0.17 0.14 -0.81 0.00 0.00 175.30 174.25 2d9v s VAL 52 N 1.84 2.53 0.37 7.11 -7.23 0.77 -4.92 120.40 120.87 2d9v s VAL 52 Ca -0.04 -0.82 -0.28 0.00 -1.81 0.00 0.00 61.98 59.03 2d9v s VAL 52 Cb -0.11 -2.05 -0.11 0.00 0.56 0.00 0.00 36.38 34.67 2d9v s VAL 52 CO -0.09 0.53 1.50 0.52 -0.31 0.00 0.00 175.10 177.25 2d9v n VAL 53 N 3.98 1.93 -0.08 1.32 0.31 -1.26 0.04 118.33 124.57 2d9v n VAL 53 Ca -0.19 -0.48 -0.13 0.00 -0.01 0.00 0.00 64.34 63.53 2d9v n VAL 53 Cb 0.52 -1.98 -0.08 0.00 -0.91 0.00 0.00 33.84 31.39 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 0.55 0.96 -1.33 2.52 2.08 0.64 -4.60 119.36 120.19 2d9v n ILE 54 Ca 0.02 -0.35 -0.55 0.00 0.56 0.00 0.00 62.75 62.42 2d9v n ILE 54 Cb 0.39 -1.17 -0.11 0.00 -0.75 0.00 0.00 39.64 37.99 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 -3.09 1.21 -4.04 1.39 -0.00 -0.98 -0.78 115.22 108.94 2d9v n HIS 55 Ca -0.30 0.59 -0.28 0.00 0.46 0.00 0.00 57.72 58.19 2d9v n HIS 55 Cb 0.81 -2.37 -0.08 0.00 -0.12 0.00 0.00 29.99 28.23 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 8.57 -1.04 -0.39 1.57 3.01 -0.94 -4.77 117.46 123.48 2d9v n PHE 56 Ca 0.52 0.53 0.01 0.00 1.01 0.00 0.00 57.45 59.52 2d9v n PHE 56 Cb 0.05 -2.20 0.01 0.00 -0.01 0.00 0.00 39.48 37.33 2d9v n PHE 56 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2d9v n ASN 57 N -2.30 1.54 -4.77 4.37 5.15 0.04 -4.94 115.26 114.35 2d9v n ASN 57 Ca -0.20 -1.90 -0.36 0.00 -0.60 0.00 0.00 54.58 51.52 2d9v n ASN 57 Cb 0.55 -0.05 -0.08 0.00 -0.53 0.00 0.00 39.78 39.67 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 -0.94 5.26 -0.21 3.44 1.01 -1.26 -0.20 120.40 127.49 2d9v s VAL 58 Ca 0.03 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.21 2d9v s VAL 58 Cb 0.03 -3.34 -0.21 0.00 0.00 0.00 0.00 36.38 32.86 2d9v s VAL 58 CO 0.00 0.53 -0.01 -1.14 0.00 0.00 0.00 175.10 174.48 2d9v n ARG 59 N 2.79 0.67 -3.59 2.72 3.00 0.72 -4.52 116.66 118.44 2d9v n ARG 59 Ca -0.18 0.12 -0.05 0.00 -0.00 0.00 0.00 57.85 57.74 2d9v n ARG 59 Cb 0.53 -1.56 -0.02 0.00 0.00 0.00 0.00 32.46 31.41 2d9v n ARG 59 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2d9v s ASP 60 N -6.20 -0.16 -0.08 6.15 -4.77 -1.22 -4.99 116.67 105.40 2d9v s ASP 60 Ca -0.23 0.02 -0.03 0.00 -3.30 0.00 0.00 52.55 49.01 2d9v s ASP 60 Cb 0.08 0.16 0.04 0.00 -1.09 0.00 0.00 42.92 42.11 2d9v s ASP 60 CO 0.71 -0.25 0.11 -0.63 0.70 0.00 0.00 175.17 175.81 2d9v s ILE 61 N -2.31 -0.18 -0.08 2.11 1.01 -1.26 0.45 121.20 120.94 2d9v s ILE 61 Ca 0.08 0.30 -0.02 0.00 0.00 0.00 0.00 60.65 61.02 2d9v s ILE 61 Cb -0.01 -0.29 -0.03 0.00 0.01 0.00 0.00 42.46 42.14 2d9v s ILE 61 CO -0.05 0.09 -0.00 -0.54 0.00 0.00 0.00 174.94 174.44 2d9v s LYS 62 N 2.22 2.96 -0.03 2.79 1.02 -0.26 -4.99 119.74 123.46 2d9v s LYS 62 Ca 0.04 -0.42 0.03 0.00 0.02 0.00 0.00 55.97 55.64 2d9v s LYS 62 Cb -0.13 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 2d9v s LYS 62 CO -0.05 0.70 -0.10 0.08 -0.92 0.00 0.00 175.35 175.05 2d9v s VAL 63 N -0.89 0.88 0.00 3.17 1.01 -1.26 -0.83 120.40 122.48 2d9v s VAL 63 Ca 0.14 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2d9v s VAL 63 Cb -0.11 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.48 2d9v s VAL 63 CO 0.03 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2d9v n GLY 64 N 3.31 2.94 0.32 4.51 0.00 0.51 -2.76 105.19 114.01 2d9v n GLY 64 Ca -0.19 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.65 2d9v n GLY 64 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2d9v h GLN 65 N 0.00 0.06 -1.00 1.61 3.07 -1.85 0.13 115.11 117.13 2d9v h GLN 65 Ca 0.00 -0.00 0.19 0.00 0.09 0.00 0.00 58.65 58.93 2d9v h GLN 65 Cb 0.00 -0.01 -0.19 0.00 0.08 0.00 0.00 27.48 27.36 2d9v h GLN 65 CO 0.00 0.04 -0.27 0.93 0.09 0.00 0.00 178.83 179.62 2d9v h GLU 66 N 0.06 -0.00 -6.58 0.06 5.08 -1.89 -3.40 114.58 107.91 2d9v h GLU 66 Ca 0.53 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.30 2d9v h GLU 66 Cb 1.02 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.38 2d9v h GLU 66 CO -0.82 -0.00 0.29 0.00 -1.00 0.00 0.00 179.01 177.49 2d9v s GLN 68 N -1.64 0.81 -1.73 0.00 -0.21 -1.26 -4.80 119.66 110.83 2d9v s GLN 68 Ca 0.58 -1.13 -0.01 0.00 0.02 0.00 0.00 55.36 54.82 2d9v s GLN 68 Cb -0.65 -0.47 0.00 0.00 1.00 0.00 0.00 33.01 32.89 2d9v s GLN 68 CO 0.61 0.07 0.10 -3.47 -2.12 0.00 0.00 175.29 170.47 2d9v n ASP 69 N 0.61 -5.88 -3.75 5.90 -0.08 -1.26 -4.97 116.55 107.11 2d9v n ASP 69 Ca -0.16 -0.05 -0.15 0.00 -1.51 0.00 0.00 54.79 52.91 2d9v n ASP 69 Cb 0.58 -4.88 -0.16 0.00 2.34 0.00 0.00 41.12 39.00 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 -3.05 -0.07 -0.14 5.18 0.11 -1.26 -5.15 120.40 116.03 2d9v s VAL 70 Ca 0.05 0.23 -0.06 0.00 -2.93 0.00 0.00 61.98 59.27 2d9v s VAL 70 Cb -0.02 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.66 2d9v s VAL 70 CO 0.06 0.10 0.06 0.00 -3.33 0.00 0.00 175.10 171.99 2d9v s GLN 71 N 1.22 3.57 0.26 1.54 1.03 -1.26 -5.08 119.66 120.94 2d9v s GLN 71 Ca -0.08 -0.31 -0.30 0.00 0.04 0.00 0.00 55.36 54.72 2d9v s GLN 71 Cb -0.13 -3.09 -0.09 0.00 0.03 0.00 0.00 33.01 29.73 2d9v s GLN 71 CO -0.04 0.52 1.27 -1.25 -2.54 0.00 0.00 175.29 173.25 2d9v s PRO 72 N -0.32 4.43 0.92 9.60 0.04 -1.26 -5.02 135.00 143.38 2d9v s PRO 72 Ca 0.09 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 2d9v s PRO 72 Cb -0.12 -3.15 0.14 0.00 0.04 0.00 0.00 34.50 31.41 2d9v s PRO 72 CO 0.02 -0.14 1.09 -1.25 0.04 0.00 0.00 177.00 176.76 2d9v s PRO 73 N -0.92 1.10 0.24 0.56 0.04 -1.26 -4.94 135.00 129.82 2d9v s PRO 73 Ca 0.52 0.76 -0.31 0.00 0.04 0.00 0.00 61.00 62.01 2d9v s PRO 73 Cb -0.37 -1.80 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 2d9v s PRO 73 CO 0.44 -2.33 1.54 -1.91 0.04 0.00 0.00 177.00 174.77 2d9v n GLU 74 N -3.94 2.37 0.00 4.56 4.07 -1.26 -2.94 120.64 123.50 2d9v n GLU 74 Ca 0.07 0.85 0.00 0.00 -0.06 0.00 0.00 57.16 58.01 2d9v n GLU 74 Cb 0.56 -2.59 0.00 0.00 -0.06 0.00 0.00 31.44 29.35 2d9v n GLU 74 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2d9v n GLY 75 N 2.64 2.26 1.50 8.31 0.00 -1.26 -5.00 105.19 113.63 2d9v n GLY 75 Ca 0.12 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.15 -4.34 1.61 3.00 -1.15 -5.04 116.66 109.58 2d9v n ARG 76 Ca 0.00 -0.42 -0.17 0.00 -0.01 0.00 0.00 57.85 57.25 2d9v n ARG 76 Cb 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 32.46 31.60 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 -1.89 1.81 0.13 0.55 0.01 -1.26 -4.88 113.70 108.16 2d9v s SER 77 Ca 0.19 -1.24 -0.19 0.00 1.31 0.00 0.00 55.95 56.02 2d9v s SER 77 Cb -0.03 0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.16 2d9v s SER 77 CO 0.16 -0.54 1.78 0.03 0.41 0.00 0.00 173.24 175.08 2d9v h ARG 78 N 2.44 0.32 -0.37 12.44 2.47 -1.96 -2.06 114.38 127.67 2d9v h ARG 78 Ca -0.38 -0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.38 2d9v h ARG 78 Cb 1.23 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.46 2d9v h ARG 78 CO 0.65 0.22 0.25 -0.44 0.56 0.00 0.00 179.97 181.21 2d9v h ASP 79 N 0.32 0.17 -0.45 7.04 5.19 -1.95 -1.26 116.42 125.48 2d9v h ASP 79 Ca 0.09 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.52 2d9v h ASP 79 Cb -0.03 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 2d9v h ASP 79 CO -0.02 0.11 0.30 1.23 -3.12 0.00 0.00 179.24 177.74 2d9v h GLY 80 N 0.19 0.60 -4.14 2.75 0.00 -1.55 -2.70 103.07 98.21 2d9v h GLY 80 Ca 0.17 -0.21 -0.59 0.00 0.00 0.00 0.00 47.33 46.69 2d9v h GLY 80 CO -0.03 0.20 -0.89 1.04 0.00 0.00 0.00 176.54 176.86 2d9v n LEU 81 N -4.47 -2.68 -3.19 3.11 4.32 -0.47 -0.37 117.00 113.24 2d9v n LEU 81 Ca 0.04 0.78 0.04 0.00 -0.02 0.00 0.00 56.01 56.85 2d9v n LEU 81 Cb 0.10 -0.84 -0.01 0.00 -1.62 0.00 0.00 43.42 41.05 2d9v n LEU 81 CO 0.35 -3.96 0.26 -0.22 -1.22 0.00 0.00 177.39 172.60 2d9v s LEU 82 N 4.10 -1.18 -0.10 2.23 2.96 0.23 -0.37 118.68 126.54 2d9v s LEU 82 Ca 0.57 0.82 0.02 0.00 -0.22 0.00 0.00 54.13 55.32 2d9v s LEU 82 Cb -0.62 2.03 -0.01 0.00 0.50 0.00 0.00 46.19 48.08 2d9v s LEU 82 CO 0.60 -0.22 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.34 2d9v s THR 83 N 2.87 2.72 -0.07 3.68 2.01 -0.01 -0.33 115.64 126.51 2d9v s THR 83 Ca 0.14 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.35 2d9v s THR 83 Cb -0.14 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 2d9v s THR 83 CO -0.19 0.55 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.55 2d9v s VAL 84 N 0.07 3.85 -0.08 3.82 1.01 -0.03 -1.11 120.40 127.94 2d9v s VAL 84 Ca -0.07 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2d9v s VAL 84 Cb -0.15 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2d9v s VAL 84 CO 0.05 0.60 -0.10 0.20 0.00 0.00 0.00 175.10 175.85 2d9v s ASN 85 N -0.82 4.33 -0.11 3.32 0.01 0.17 0.47 114.94 122.33 2d9v s ASN 85 Ca 0.12 -0.14 -0.05 0.00 -0.71 0.00 0.00 52.86 52.09 2d9v s ASN 85 Cb -0.11 -1.15 -0.04 0.00 0.41 0.00 0.00 41.25 40.36 2d9v s ASN 85 CO 0.02 0.32 0.07 -0.76 -1.51 0.00 0.00 177.10 175.24 2d9v s LEU 86 N -0.53 4.00 0.54 0.60 1.43 -0.91 -0.20 118.68 123.61 2d9v s LEU 86 Ca 0.08 0.31 0.34 0.00 -1.03 0.00 0.00 54.13 53.82 2d9v s LEU 86 Cb -0.12 -1.95 1.51 0.00 0.03 0.00 0.00 46.19 45.66 2d9v s LEU 86 CO 0.02 0.38 1.84 0.08 0.23 0.00 0.00 176.35 178.90 2d9v h ARG 87 N 5.14 0.00 -0.25 1.70 0.11 -0.82 0.14 114.38 120.40 2d9v h ARG 87 Ca -0.52 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.52 2d9v h ARG 87 Cb 1.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 2d9v h ARG 87 CO 0.57 0.00 0.02 1.05 0.10 0.00 0.00 179.97 181.71 2d9v h GLU 88 N 0.00 0.43 0.00 0.08 4.11 -1.94 -3.48 114.58 113.78 2d9v h GLU 88 Ca 0.48 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 59.79 2d9v h GLU 88 Cb 1.97 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.18 2d9v h GLU 88 CO -0.01 0.58 0.00 0.41 0.07 0.00 0.00 179.01 180.06 2d9v n GLY 89 N -0.40 2.27 3.70 1.06 0.00 0.48 -5.13 105.19 107.17 2d9v n GLY 89 Ca -0.03 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 2d9v n GLY 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d9v n SER 90 N 0.00 2.46 -4.82 1.61 3.41 -1.26 -4.53 113.62 110.48 2d9v n SER 90 Ca 0.00 1.08 -0.29 0.00 -0.26 0.00 0.00 58.87 59.41 2d9v n SER 90 Cb 0.00 -1.50 -0.04 0.00 -0.26 0.00 0.00 64.21 62.41 2d9v n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d9v s ARG 91 N -2.28 2.23 -0.07 4.33 1.70 -1.26 -2.14 118.95 121.45 2d9v s ARG 91 Ca 0.62 -2.15 0.00 0.00 -0.47 0.00 0.00 55.73 53.74 2d9v s ARG 91 Cb -0.50 -1.86 0.02 0.00 -0.57 0.00 0.00 34.95 32.05 2d9v s ARG 91 CO 0.57 -0.45 -0.04 -0.51 -1.08 0.00 0.00 175.30 173.79 2d9v s LEU 92 N -4.07 1.11 -0.42 -1.89 1.43 0.18 -4.97 118.68 110.05 2d9v s LEU 92 Ca 0.24 -0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.00 2d9v s LEU 92 Cb 0.00 -0.55 0.02 0.00 0.03 0.00 0.00 46.19 45.69 2d9v s LEU 92 CO 0.14 -0.10 0.43 -1.00 0.23 0.00 0.00 176.35 176.05 2d9v s HIS 93 N 1.35 3.17 0.13 0.29 3.76 -1.26 -0.85 115.29 121.89 2d9v s HIS 93 Ca -0.04 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.52 2d9v s HIS 93 Cb -0.14 -2.87 -0.04 0.00 1.11 0.00 0.00 32.58 30.64 2d9v s HIS 93 CO -0.03 -0.69 -0.07 -0.51 -0.85 0.00 0.00 174.74 172.59 2d9v s LEU 94 N 2.11 2.47 0.03 0.89 1.43 0.56 -1.61 118.68 124.55 2d9v s LEU 94 Ca 0.12 -1.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.19 2d9v s LEU 94 Cb -0.17 -0.18 -0.02 0.00 0.03 0.00 0.00 46.19 45.85 2d9v s LEU 94 CO 0.13 -0.43 -0.05 0.00 0.23 0.00 0.00 176.35 176.24 2d9v s ALA 96 N -1.23 3.10 0.01 0.00 0.00 0.50 -2.39 121.76 121.75 2d9v s ALA 96 Ca -0.11 -2.10 -0.25 0.00 0.00 0.00 0.00 51.96 49.50 2d9v s ALA 96 Cb -0.09 -0.11 -0.19 0.00 0.00 0.00 0.00 23.12 22.74 2d9v s ALA 96 CO -0.00 0.03 1.37 1.05 0.00 0.00 0.00 175.76 178.20 2d9v h GLU 97 N 1.89 -0.04 -4.91 0.00 4.11 -1.91 -3.38 114.58 110.34 2d9v h GLU 97 Ca -0.43 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 58.67 2d9v h GLU 97 Cb 1.25 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.36 2d9v h GLU 97 CO 0.71 0.32 -0.64 0.95 0.07 0.00 0.00 179.01 180.43 2d9v s THR 98 N -4.73 0.72 0.22 -1.06 -4.23 -1.26 -4.48 115.64 100.83 2d9v s THR 98 Ca -0.15 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.29 2d9v s THR 98 Cb 0.03 -2.39 0.19 0.00 1.34 0.00 0.00 72.50 71.67 2d9v s THR 98 CO 0.66 -0.24 1.82 0.08 -0.54 0.00 0.00 174.62 176.40 2d9v h ARG 99 N 2.51 1.24 0.11 3.99 0.11 -1.90 -2.13 114.38 118.30 2d9v h ARG 99 Ca -0.38 -0.18 0.02 0.00 0.10 0.00 0.00 59.98 59.54 2d9v h ARG 99 Cb 1.23 -0.22 -0.05 0.00 1.11 0.00 0.00 29.97 32.03 2d9v h ARG 99 CO 0.62 0.94 -0.45 0.22 0.10 0.00 0.00 179.97 181.41 2d9v h ASP 100 N 1.23 -1.35 -0.92 0.08 3.58 -1.96 0.19 116.42 117.26 2d9v h ASP 100 Ca 0.30 0.15 0.03 0.00 0.42 0.00 0.00 57.03 57.93 2d9v h ASP 100 Cb 0.11 0.51 -0.05 0.00 1.72 0.00 0.00 39.33 41.61 2d9v h ASP 100 CO -0.04 -0.51 0.60 0.44 -2.88 0.00 0.00 179.24 176.85 2d9v h ASP 101 N -0.68 1.01 -0.02 2.28 3.32 -1.96 -2.54 116.42 117.83 2d9v h ASP 101 Ca 0.02 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.07 2d9v h ASP 101 Cb 0.71 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2d9v h ASP 101 CO -0.27 0.70 -0.04 0.00 -1.72 0.00 0.00 179.24 177.91 2d9v h ALA 102 N 1.37 -0.02 -0.87 3.45 0.00 -0.67 -2.55 119.26 119.97 2d9v h ALA 102 Ca 0.36 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.40 2d9v h ALA 102 Cb -0.02 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 2d9v h ALA 102 CO -0.11 -0.53 0.50 0.82 0.00 0.00 0.00 179.25 179.93 2d9v h ILE 103 N -0.06 0.87 -0.78 0.00 2.04 -0.31 -1.37 117.51 117.90 2d9v h ILE 103 Ca 0.03 -0.27 0.16 0.00 1.00 0.00 0.00 64.86 65.77 2d9v h ILE 103 Cb 0.09 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.08 2d9v h ILE 103 CO -0.06 0.14 0.31 0.00 0.00 0.00 0.00 178.15 178.55 2d9v h ALA 104 N 1.50 1.12 -0.28 1.87 0.00 -1.05 -0.97 119.26 121.45 2d9v h ALA 104 Ca 0.44 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.44 2d9v h ALA 104 Cb 0.47 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2d9v h ALA 104 CO -0.28 -0.23 0.06 -1.49 0.00 0.00 0.00 179.25 177.31 2d9v h TRP 105 N 0.43 0.47 -0.78 0.00 4.06 -1.17 0.48 115.95 119.45 2d9v h TRP 105 Ca 0.44 -0.06 0.12 0.00 2.06 0.00 0.00 58.89 61.45 2d9v h TRP 105 Cb 0.70 -0.13 -0.08 0.00 -1.00 0.00 0.00 29.16 28.64 2d9v h TRP 105 CO -0.17 0.53 0.38 -0.22 -3.56 0.00 0.00 178.44 175.40 2d9v h LYS 106 N 0.28 0.57 -0.07 0.49 3.64 -0.90 0.27 116.57 120.85 2d9v h LYS 106 Ca 0.09 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.29 2d9v h LYS 106 Cb 0.30 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2d9v h LYS 106 CO 0.00 0.38 -0.53 1.15 -2.27 0.00 0.00 179.45 178.18 2d9v h THR 107 N 0.59 1.38 -0.22 1.00 2.02 -1.14 0.61 112.91 117.15 2d9v h THR 107 Ca 0.40 -1.89 -0.01 0.00 0.77 0.00 0.00 66.41 65.69 2d9v h THR 107 Cb 0.52 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 2d9v h THR 107 CO -0.33 0.56 0.11 0.00 0.37 0.00 0.00 175.52 176.24 2d9v h ALA 108 N 0.43 1.78 0.00 6.16 0.00 -0.24 0.45 119.26 127.85 2d9v h ALA 108 Ca -0.04 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2d9v h ALA 108 Cb 1.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2d9v h ALA 108 CO 0.11 0.19 -0.61 -0.07 0.00 0.00 0.00 179.25 178.87 2d9v h LEU 109 N 0.30 0.00 -0.71 0.00 3.38 -0.48 -3.25 115.31 114.56 2d9v h LEU 109 Ca 0.08 -0.70 0.09 0.00 0.09 0.00 0.00 57.88 57.44 2d9v h LEU 109 Cb 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 2d9v h LEU 109 CO -0.01 1.20 0.36 0.24 0.09 0.00 0.00 178.44 180.32 2d9v h MET 110 N -1.00 0.60 0.39 1.13 2.86 -0.78 0.10 114.93 118.22 2d9v h MET 110 Ca -0.16 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 2d9v h MET 110 Cb 1.09 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 2d9v h MET 110 CO -0.10 0.40 -0.30 0.93 1.06 0.00 0.00 176.91 178.90 2d9v h GLU 111 N 0.62 -0.64 -0.93 1.72 4.39 -1.06 -0.17 114.58 118.51 2d9v h GLU 111 Ca 0.34 0.04 0.16 0.00 0.34 0.00 0.00 59.36 60.25 2d9v h GLU 111 Cb 0.34 0.14 -0.10 0.00 -0.10 0.00 0.00 28.75 29.04 2d9v h GLU 111 CO -0.26 -0.42 0.53 0.00 -1.16 0.00 0.00 179.01 177.70 2d9v h ALA 112 N -1.36 1.46 -0.44 3.43 0.00 -1.55 0.60 119.26 121.40 2d9v h ALA 112 Ca -0.05 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2d9v h ALA 112 Cb 0.55 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2d9v h ALA 112 CO 0.01 -0.03 0.23 -0.97 0.00 0.00 0.00 179.25 178.49 2d9v h ASN 113 N 0.73 0.54 -0.46 0.00 -1.24 -0.70 -2.67 115.58 111.78 2d9v h ASN 113 Ca 0.51 -0.04 -0.32 0.00 0.71 0.00 0.00 56.30 57.16 2d9v h ASN 113 Cb 0.73 -0.14 -0.23 0.00 0.73 0.00 0.00 38.32 39.41 2d9v h ASN 113 CO -0.36 0.45 -0.48 -1.54 -1.29 0.00 0.00 177.43 174.21 2d9v n SER 114 N -4.41 3.67 -3.34 1.15 3.41 0.40 -2.22 113.62 112.29 2d9v n SER 114 Ca 0.03 -3.81 -0.10 0.00 -0.26 0.00 0.00 58.87 54.73 2d9v n SER 114 Cb 0.11 -0.50 -0.07 0.00 -0.26 0.00 0.00 64.21 63.49 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 -3.95 -0.60 1.14 6.66 2.01 0.18 -4.94 115.64 116.15 2d9v s THR 115 Ca 0.47 -0.20 -0.17 0.00 0.31 0.00 0.00 61.69 62.09 2d9v s THR 115 Cb 0.40 -0.90 0.26 0.00 0.01 0.00 0.00 72.50 72.27 2d9v s THR 115 CO -0.01 -0.22 1.10 -2.16 -0.69 0.00 0.00 174.62 172.65 2d9v s PRO 116 N 2.53 -0.75 0.24 4.92 0.04 -1.26 -4.61 135.00 136.10 2d9v s PRO 116 Ca 0.11 0.10 0.08 0.00 0.04 0.00 0.00 61.00 61.34 2d9v s PRO 116 Cb -0.14 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 2d9v s PRO 116 CO -0.23 -3.43 -0.13 0.00 0.04 0.00 0.00 177.00 173.24 2d9v s ALA 117 N -2.99 2.26 -2.00 8.56 0.00 -1.26 -5.01 121.76 121.31 2d9v s ALA 117 Ca 0.69 -1.78 0.15 0.00 0.00 0.00 0.00 51.96 51.02 2d9v s ALA 117 Cb -0.12 -0.04 0.88 0.00 0.00 0.00 0.00 23.12 23.83 2d9v s ALA 117 CO 0.57 0.07 1.29 -0.35 0.00 0.00 0.00 175.76 177.34 2d9v n PRO 118 N -0.49 0.49 -4.24 0.00 -0.04 -1.26 -4.70 135.00 124.76 2d9v n PRO 118 Ca -0.07 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.21 2d9v n PRO 118 Cb 0.61 -1.47 -0.11 0.00 -0.04 0.00 0.00 33.50 32.49 2d9v n PRO 118 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d9v s ALA 119 N -2.00 1.48 -0.09 0.55 0.00 -1.26 -5.15 121.76 115.30 2d9v s ALA 119 Ca 0.22 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2d9v s ALA 119 Cb 0.10 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.15 2d9v s ALA 119 CO 0.17 0.13 -0.07 0.20 0.00 0.00 0.00 175.76 176.19 2d9v s GLY 120 N -2.32 0.71 0.31 0.00 0.00 -1.26 -5.14 107.32 99.62 2d9v s GLY 120 Ca 0.07 -0.38 0.03 0.00 0.00 0.00 0.00 44.72 44.44 2d9v s GLY 120 CO 0.03 0.64 0.13 0.00 0.00 0.00 0.00 173.10 173.90 2d9v s ALA 121 N 1.39 2.06 -0.21 3.20 0.00 -1.26 -5.17 121.76 121.77 2d9v s ALA 121 Ca -0.02 -1.75 -0.18 0.00 0.00 0.00 0.00 51.96 50.00 2d9v s ALA 121 Cb -0.14 1.02 0.05 0.00 0.00 0.00 0.00 23.12 24.06 2d9v s ALA 121 CO -0.04 -0.45 0.54 -0.08 0.00 0.00 0.00 175.76 175.73 2d9v s THR 122 N -3.57 -0.00 0.04 0.00 -1.32 -1.26 -5.16 115.64 104.37 2d9v s THR 122 Ca 0.35 0.01 0.02 0.00 -1.21 0.00 0.00 61.69 60.85 2d9v s THR 122 Cb 0.06 -0.76 -0.02 0.00 -1.51 0.00 0.00 72.50 70.26 2d9v s THR 122 CO 0.16 0.00 -0.08 0.68 -2.21 0.00 0.00 174.62 173.17 2d9v s VAL 123 N 0.40 0.52 1.20 5.08 -7.23 -1.26 -5.16 120.40 113.95 2d9v s VAL 123 Ca -0.01 -1.09 -0.20 0.00 -1.81 0.00 0.00 61.98 58.87 2d9v s VAL 123 Cb -0.04 -0.62 0.30 0.00 0.56 0.00 0.00 36.38 36.58 2d9v s VAL 123 CO -0.01 -0.40 1.06 -0.81 -0.31 0.00 0.00 175.10 174.64 2d9v n PRO 124 N 1.43 -3.09 -4.06 4.82 -0.04 -1.26 -4.97 135.00 127.83 2d9v n PRO 124 Ca -0.23 -1.70 -0.11 0.00 -0.04 0.00 0.00 63.50 61.42 2d9v n PRO 124 Cb 0.55 -1.59 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 2d9v n PRO 124 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2d9v s SER 125 N -4.37 0.17 0.00 3.54 0.01 -1.26 -5.01 113.70 106.78 2d9v s SER 125 Ca 0.69 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.80 2d9v s SER 125 Cb -0.07 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.72 2d9v s SER 125 CO 0.53 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.68 2d9v n GLY 126 N -0.40 1.73 0.07 3.44 0.00 -1.26 -4.83 105.19 103.94 2d9v n GLY 126 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2d9v n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9v h PRO 127 N 0.00 -0.03 -6.99 1.61 0.13 -2.04 -3.46 132.00 121.22 2d9v h PRO 127 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.71 2d9v h PRO 127 Cb 0.00 0.01 0.22 0.00 0.13 0.00 0.00 31.00 31.36 2d9v h PRO 127 CO 0.00 0.45 -0.25 0.43 -0.23 0.00 0.00 178.00 178.40 2d9v n SER 128 N -4.87 -2.26 -4.63 1.44 7.64 -1.26 -4.93 113.62 104.75 2d9v n SER 128 Ca -0.08 -0.27 -0.34 0.00 1.01 0.00 0.00 58.87 59.18 2d9v n SER 128 Cb 0.25 -1.16 0.12 0.00 -1.01 0.00 0.00 64.21 62.41 2d9v n SER 128 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d9v n SER 129 N -4.46 0.34 0.00 6.43 7.64 -1.26 -4.75 113.62 117.56 2d9v n SER 129 Ca 0.03 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.47 2d9v n SER 129 Cb 0.56 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 2d9v n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64