#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdg s HIS 2 N 0.00 1.32 -0.63 1.61 5.65 -1.26 -5.07 115.29 116.91 1vdg s HIS 2 Ca 0.00 -1.73 -0.17 0.00 0.25 0.00 0.00 55.06 53.41 1vdg s HIS 2 Cb 0.00 -1.45 0.14 0.00 -1.18 0.00 0.00 32.58 30.09 1vdg s HIS 2 CO 0.00 -0.84 0.65 -0.51 -0.65 0.00 0.00 174.74 173.39 1vdg s LEU 3 N 1.28 5.98 0.28 8.88 1.43 -1.26 -5.04 118.68 130.22 1vdg s LEU 3 Ca 0.13 -1.86 -0.30 0.00 -1.03 0.00 0.00 54.13 51.08 1vdg s LEU 3 Cb -0.20 -2.25 -0.11 0.00 0.03 0.00 0.00 46.19 43.66 1vdg s LEU 3 CO -0.15 -0.90 1.58 -2.84 0.23 0.00 0.00 176.35 174.26 1vdg s PRO 4 N 1.74 4.15 0.11 1.29 0.02 -1.26 -4.30 135.00 136.76 1vdg s PRO 4 Ca 0.10 2.53 -0.33 0.00 0.02 0.00 0.00 61.00 63.32 1vdg s PRO 4 Cb -0.23 -3.04 -0.13 0.00 0.02 0.00 0.00 34.50 31.12 1vdg s PRO 4 CO 0.01 -0.61 1.69 1.17 -0.33 0.00 0.00 177.00 178.94 1vdg n LYS 5 N 2.31 2.32 -1.19 5.54 4.81 -1.26 -4.79 118.16 125.90 1vdg n LYS 5 Ca 0.08 0.84 -0.29 0.00 -0.87 0.00 0.00 58.31 58.07 1vdg n LYS 5 Cb 0.38 -2.65 0.15 0.00 0.02 0.00 0.00 35.03 32.93 1vdg n LYS 5 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1vdg s PRO 6 N 1.81 0.89 -0.17 1.64 0.04 -1.26 -4.93 135.00 133.02 1vdg s PRO 6 Ca 0.81 0.69 -0.08 0.00 0.04 0.00 0.00 61.00 62.47 1vdg s PRO 6 Cb -0.63 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1vdg s PRO 6 CO 0.40 -2.46 0.09 0.99 0.04 0.00 0.00 177.00 176.05 1vdg s THR 7 N -2.95 5.02 -0.07 1.26 2.01 -1.19 -4.35 115.64 115.37 1vdg s THR 7 Ca 0.64 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.74 1vdg s THR 7 Cb -0.18 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 1vdg s THR 7 CO 0.57 0.49 -0.23 -0.22 -0.69 0.00 0.00 174.62 174.54 1vdg s LEU 8 N 0.03 2.16 0.15 4.42 2.96 -1.26 -1.84 118.68 125.30 1vdg s LEU 8 Ca 0.07 -0.49 -0.18 0.00 -0.22 0.00 0.00 54.13 53.30 1vdg s LEU 8 Cb -0.12 -1.41 0.04 0.00 0.50 0.00 0.00 46.19 45.21 1vdg s LEU 8 CO 0.00 0.22 0.48 -1.66 -1.32 0.00 0.00 176.35 174.08 1vdg s TRP 9 N -0.03 -0.29 0.02 5.38 -2.14 -0.24 -4.92 118.94 116.71 1vdg s TRP 9 Ca -0.07 0.01 0.06 0.00 2.66 0.00 0.00 56.10 58.75 1vdg s TRP 9 Cb -0.15 0.38 -0.03 0.00 -3.10 0.00 0.00 33.47 30.57 1vdg s TRP 9 CO 0.05 -0.79 -0.16 0.00 -2.66 0.00 0.00 176.95 173.40 1vdg s ALA 10 N -3.80 2.67 -0.08 2.67 0.00 -1.26 0.27 121.76 122.23 1vdg s ALA 10 Ca 0.03 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 50.90 1vdg s ALA 10 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1vdg s ALA 10 CO -0.11 0.58 -0.20 -1.21 0.00 0.00 0.00 175.76 174.82 1vdg s GLU 11 N -1.31 2.46 0.47 0.00 2.02 -0.87 -2.74 118.70 118.74 1vdg s GLU 11 Ca 0.15 -0.72 0.26 0.00 0.02 0.00 0.00 54.97 54.67 1vdg s GLU 11 Cb -0.11 -1.94 1.08 0.00 0.10 0.00 0.00 34.13 33.26 1vdg s GLU 11 CO 0.05 0.17 1.89 -1.00 0.02 0.00 0.00 175.26 176.39 1vdg h PRO 12 N 6.64 0.00 0.00 0.39 0.13 -1.89 -0.78 132.00 136.49 1vdg h PRO 12 Ca -0.26 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.07 1vdg h PRO 12 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1vdg h PRO 12 CO 0.47 0.17 0.64 0.41 -0.23 0.00 0.00 178.00 179.47 1vdg n GLY 13 N -0.01 0.52 0.11 1.56 0.00 -1.11 -5.05 105.19 101.22 1vdg n GLY 13 Ca -0.00 -1.11 0.12 0.00 0.00 0.00 0.00 46.02 45.02 1vdg n GLY 13 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vdg h SER 14 N 1.88 0.00 -3.68 1.61 4.64 -1.88 -3.42 113.55 112.70 1vdg h SER 14 Ca -0.24 -0.08 -0.76 0.00 -0.47 0.00 0.00 61.79 60.24 1vdg h SER 14 Cb 1.13 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.95 1vdg h SER 14 CO 0.33 0.04 -0.07 -0.69 -0.87 0.00 0.00 176.83 175.57 1vdg s VAL 15 N -3.28 5.14 -0.07 0.95 1.01 -1.26 -0.44 120.40 122.45 1vdg s VAL 15 Ca 0.03 -2.29 0.05 0.00 0.00 0.00 0.00 61.98 59.76 1vdg s VAL 15 Cb 0.10 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 1vdg s VAL 15 CO 0.75 -0.95 -0.22 0.27 0.00 0.00 0.00 175.10 174.95 1vdg s ILE 16 N 0.51 2.35 0.33 2.22 -4.36 0.24 -4.97 121.20 117.52 1vdg s ILE 16 Ca 0.14 -0.96 -0.29 0.00 -0.26 0.00 0.00 60.65 59.28 1vdg s ILE 16 Cb -0.17 -1.89 -0.11 0.00 1.25 0.00 0.00 42.46 41.54 1vdg s ILE 16 CO -0.05 0.57 1.53 0.28 0.24 0.00 0.00 174.94 177.50 1vdg s THR 17 N -0.14 2.12 0.43 8.37 -1.32 -1.26 -2.39 115.64 121.45 1vdg s THR 17 Ca -0.04 0.11 -0.24 0.00 -1.21 0.00 0.00 61.69 60.32 1vdg s THR 17 Cb -0.14 -3.07 -0.11 0.00 -1.51 0.00 0.00 72.50 67.67 1vdg s THR 17 CO 0.04 0.02 0.91 1.67 -2.21 0.00 0.00 174.62 175.05 1vdg n GLN 18 N 1.43 1.15 0.00 7.08 7.27 -0.58 -1.84 117.38 131.90 1vdg n GLN 18 Ca 0.05 0.42 0.00 0.00 0.07 0.00 0.00 57.00 57.53 1vdg n GLN 18 Cb 0.38 -1.94 0.00 0.00 2.41 0.00 0.00 30.24 31.10 1vdg n GLN 18 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1vdg n GLY 19 N 1.31 2.81 3.86 1.69 0.00 -0.44 -4.98 105.19 109.45 1vdg n GLY 19 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1vdg n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vdg s SER 20 N 0.11 5.68 0.50 1.61 0.01 -0.76 -4.08 113.70 116.77 1vdg s SER 20 Ca 0.00 1.32 -0.12 0.00 1.31 0.00 0.00 55.95 58.45 1vdg s SER 20 Cb 0.00 -2.22 -0.06 0.00 0.21 0.00 0.00 66.02 63.95 1vdg s SER 20 CO 0.00 -1.21 0.91 -2.84 0.41 0.00 0.00 173.24 170.51 1vdg s PRO 21 N -5.24 3.78 -0.14 12.44 0.02 -1.19 -0.88 135.00 143.78 1vdg s PRO 21 Ca 0.57 0.69 -0.30 0.00 0.02 0.00 0.00 61.00 61.97 1vdg s PRO 21 Cb -0.12 -2.22 0.13 0.00 0.02 0.00 0.00 34.50 32.31 1vdg s PRO 21 CO 0.53 -0.26 1.04 0.54 -0.33 0.00 0.00 177.00 178.52 1vdg s VAL 22 N -2.69 0.00 -0.05 3.83 0.11 -0.63 -4.70 120.40 116.28 1vdg s VAL 22 Ca 0.55 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.58 1vdg s VAL 22 Cb -0.10 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.78 1vdg s VAL 22 CO 0.38 0.00 0.03 -0.89 -3.33 0.00 0.00 175.10 171.29 1vdg s THR 23 N -1.75 0.11 -0.11 5.04 2.01 -0.30 0.64 115.64 121.28 1vdg s THR 23 Ca 0.03 0.27 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 1vdg s THR 23 Cb -0.01 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.18 1vdg s THR 23 CO -0.03 0.20 1.02 -0.76 -0.69 0.00 0.00 174.62 174.37 1vdg s LEU 24 N 1.94 4.24 -0.18 4.42 1.43 0.10 -2.04 118.68 128.60 1vdg s LEU 24 Ca 0.03 1.54 -0.02 0.00 -1.03 0.00 0.00 54.13 54.65 1vdg s LEU 24 Cb -0.12 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 1vdg s LEU 24 CO -0.04 -0.47 -0.08 -0.13 0.23 0.00 0.00 176.35 175.87 1vdg s ARG 25 N 2.08 3.42 -0.16 1.70 1.81 0.14 -0.06 118.95 127.88 1vdg s ARG 25 Ca 0.49 -0.63 0.01 0.00 -1.72 0.00 0.00 55.73 53.88 1vdg s ARG 25 Cb -0.19 -2.85 0.02 0.00 -0.45 0.00 0.00 34.95 31.48 1vdg s ARG 25 CO 0.18 0.02 -0.19 0.00 -0.68 0.00 0.00 175.30 174.63 1vdg s GLN 27 N 1.20 0.22 0.17 0.00 0.74 -0.77 -4.04 119.66 117.18 1vdg s GLN 27 Ca 0.01 0.44 0.13 0.00 0.05 0.00 0.00 55.36 55.99 1vdg s GLN 27 Cb -0.14 -0.71 -0.07 0.00 1.10 0.00 0.00 33.01 33.20 1vdg s GLN 27 CO -0.09 -0.55 1.22 0.78 -0.55 0.00 0.00 175.29 176.10 1vdg h GLY 28 N 8.27 0.00 0.00 2.59 0.00 -1.93 -3.14 103.07 108.85 1vdg h GLY 28 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1vdg h GLY 28 CO 0.24 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.39 1vdg n GLY 29 N 1.31 -1.37 3.33 4.60 0.00 -1.26 -4.93 105.19 106.87 1vdg n GLY 29 Ca -0.02 0.54 -0.32 0.00 0.00 0.00 0.00 46.02 46.22 1vdg n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vdg n GLN 30 N 0.00 -1.51 -0.36 1.61 10.64 -1.26 -4.77 117.38 121.73 1vdg n GLN 30 Ca 0.00 -0.42 0.32 0.00 -1.83 0.00 0.00 57.00 55.08 1vdg n GLN 30 Cb 0.00 -1.80 0.56 0.00 -0.86 0.00 0.00 30.24 28.14 1vdg n GLN 30 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1vdg n GLU 31 N -2.46 -0.04 -2.66 2.61 1.02 -1.26 -4.74 120.64 113.11 1vdg n GLU 31 Ca 0.02 1.13 -0.06 0.00 -0.02 0.00 0.00 57.16 58.22 1vdg n GLU 31 Cb 0.60 -2.14 -0.01 0.00 -0.02 0.00 0.00 31.44 29.87 1vdg n GLU 31 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1vdg n THR 32 N -4.62 0.00 0.00 2.62 -2.24 -1.26 -4.52 114.28 104.25 1vdg n THR 32 Ca 0.34 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1vdg n THR 32 Cb 1.27 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 70.04 1vdg n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vdg n GLN 33 N -0.29 0.00 0.00 -0.78 10.64 0.23 -4.89 117.38 122.29 1vdg n GLN 33 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1vdg n GLN 33 Cb 0.30 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.68 1vdg n GLN 33 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1vdg n GLU 34 N 0.36 0.00 -2.24 2.61 -0.58 -1.26 -4.43 120.64 115.10 1vdg n GLU 34 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 1vdg n GLU 34 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1vdg n GLU 34 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1vdg s TYR 35 N 0.00 3.28 -0.24 -0.32 4.12 -1.26 0.16 117.35 123.10 1vdg s TYR 35 Ca 0.00 1.20 -0.04 0.00 0.02 0.00 0.00 57.07 58.25 1vdg s TYR 35 Cb 0.00 -3.59 0.08 0.00 -1.52 0.00 0.00 41.96 36.94 1vdg s TYR 35 CO 0.00 -1.86 0.11 1.03 0.02 0.00 0.00 175.55 174.85 1vdg s ARG 36 N 0.15 0.20 -0.04 -0.62 0.52 0.66 -4.92 118.95 114.90 1vdg s ARG 36 Ca 0.58 -0.38 -0.10 0.00 -0.52 0.00 0.00 55.73 55.30 1vdg s ARG 36 Cb -0.36 -1.54 -0.05 0.00 0.52 0.00 0.00 34.95 33.53 1vdg s ARG 36 CO 0.36 -0.86 0.29 -1.17 0.02 0.00 0.00 175.30 173.94 1vdg s LEU 37 N 2.07 4.42 -0.05 2.53 2.96 -1.26 -1.01 118.68 128.34 1vdg s LEU 37 Ca 0.06 0.71 -0.20 0.00 -0.22 0.00 0.00 54.13 54.48 1vdg s LEU 37 Cb -0.16 -2.41 0.04 0.00 0.50 0.00 0.00 46.19 44.15 1vdg s LEU 37 CO -0.23 0.34 0.44 -0.72 -1.32 0.00 0.00 176.35 174.86 1vdg s TYR 38 N -1.10 -0.37 -0.08 5.38 -0.85 -0.48 -5.00 117.35 114.85 1vdg s TYR 38 Ca 0.21 0.68 -0.15 0.00 -0.52 0.00 0.00 57.07 57.29 1vdg s TYR 38 Cb -0.14 0.20 -0.05 0.00 0.38 0.00 0.00 41.96 42.35 1vdg s TYR 38 CO 0.10 -0.43 0.37 0.50 -1.52 0.00 0.00 175.55 174.57 1vdg s ARG 39 N -1.03 4.05 0.25 -3.49 3.52 -1.26 -2.04 118.95 118.95 1vdg s ARG 39 Ca -0.11 0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 55.49 1vdg s ARG 39 Cb -0.03 -3.32 -0.09 0.00 -1.56 0.00 0.00 34.95 29.95 1vdg s ARG 39 CO 0.05 0.47 1.23 -1.21 -0.81 0.00 0.00 175.30 175.04 1vdg s GLU 40 N -0.32 4.47 0.00 5.12 2.02 0.35 -3.83 118.70 126.50 1vdg s GLU 40 Ca 0.22 1.99 0.00 0.00 0.02 0.00 0.00 54.97 57.19 1vdg s GLU 40 Cb -0.15 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.91 1vdg s GLU 40 CO 0.09 -0.08 0.00 1.63 0.02 0.00 0.00 175.26 176.92 1vdg n LYS 41 N 1.82 0.00 -3.56 1.61 4.76 -1.26 -4.55 118.16 116.97 1vdg n LYS 41 Ca 0.02 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.39 1vdg n LYS 41 Cb 0.43 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.54 1vdg n LYS 41 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1vdg s LYS 42 N 0.00 0.35 0.05 1.97 2.20 -1.25 -5.12 119.74 117.95 1vdg s LYS 42 Ca 0.00 0.94 -0.38 0.00 -0.36 0.00 0.00 55.97 56.17 1vdg s LYS 42 Cb 0.00 0.19 -0.18 0.00 -1.51 0.00 0.00 37.83 36.33 1vdg s LYS 42 CO 0.00 -0.36 1.27 0.25 -0.36 0.00 0.00 175.35 176.16 1vdg n THR 43 N 5.39 0.00 -3.25 3.43 -2.24 -1.26 -4.60 114.28 111.76 1vdg n THR 43 Ca -0.07 -0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.31 1vdg n THR 43 Cb 0.50 -0.60 -0.08 0.00 -2.10 0.00 0.00 70.33 68.05 1vdg n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vdg s ALA 44 N 0.42 3.58 -0.05 6.98 0.00 -1.26 -4.98 121.76 126.45 1vdg s ALA 44 Ca 0.87 -0.59 0.19 0.00 0.00 0.00 0.00 51.96 52.43 1vdg s ALA 44 Cb -1.05 -2.87 0.45 0.00 0.00 0.00 0.00 23.12 19.66 1vdg s ALA 44 CO 0.50 -0.69 1.62 -0.07 0.00 0.00 0.00 175.76 177.12 1vdg h LEU 45 N 8.65 0.00 -1.15 0.00 3.38 -1.93 -3.29 115.31 120.97 1vdg h LEU 45 Ca -0.30 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 1vdg h LEU 45 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1vdg h LEU 45 CO 0.71 0.35 -0.43 4.11 0.09 0.00 0.00 178.44 183.28 1vdg h TRP 46 N 0.00 0.00 -0.55 1.13 5.08 -1.97 -3.15 115.95 116.49 1vdg h TRP 46 Ca -0.00 0.00 0.07 0.00 1.08 0.00 0.00 58.89 60.04 1vdg h TRP 46 Cb 1.08 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.18 1vdg h TRP 46 CO 0.00 0.43 0.23 0.82 -1.28 0.00 0.00 178.44 178.64 1vdg h ILE 47 N 0.00 0.86 0.00 0.12 2.04 -1.96 0.17 117.51 118.74 1vdg h ILE 47 Ca -0.00 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1vdg h ILE 47 Cb 0.75 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1vdg h ILE 47 CO 0.06 0.08 0.00 0.71 0.00 0.00 0.00 178.15 178.99 1vdg h THR 48 N 0.44 0.00 -0.57 -0.27 1.35 -1.76 -0.87 112.91 111.23 1vdg h THR 48 Ca 0.26 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 66.11 1vdg h THR 48 Cb 0.26 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1vdg h THR 48 CO -0.24 0.00 0.00 -1.14 -0.25 0.00 0.00 175.52 173.89 1vdg n ARG 49 N -2.30 2.82 -3.54 4.72 0.63 0.59 -4.90 116.66 114.68 1vdg n ARG 49 Ca -0.01 -2.25 -0.37 0.00 -0.92 0.00 0.00 57.85 54.29 1vdg n ARG 49 Cb 0.05 -1.63 -0.09 0.00 0.45 0.00 0.00 32.46 31.24 1vdg n ARG 49 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1vdg s ILE 50 N -1.50 5.29 -0.20 5.15 -1.09 -0.33 -5.03 121.20 123.48 1vdg s ILE 50 Ca 0.41 0.40 -0.34 0.00 -2.23 0.00 0.00 60.65 58.89 1vdg s ILE 50 Cb 0.24 -3.60 -0.11 0.00 -1.58 0.00 0.00 42.46 37.42 1vdg s ILE 50 CO 0.24 0.30 2.03 -2.65 -1.23 0.00 0.00 174.94 173.63 1vdg n PRO 51 N 4.40 1.77 -0.28 2.79 -0.02 -1.26 -4.79 135.00 137.61 1vdg n PRO 51 Ca -0.12 0.58 0.24 0.00 -2.02 0.00 0.00 63.50 62.18 1vdg n PRO 51 Cb 0.52 -2.68 0.40 0.00 -0.02 0.00 0.00 33.50 31.72 1vdg n PRO 51 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1vdg n GLN 52 N 7.47 -0.02 -0.04 -0.52 6.02 -1.26 0.11 117.38 129.13 1vdg n GLN 52 Ca 0.30 0.76 -0.08 0.00 -0.01 0.00 0.00 57.00 57.97 1vdg n GLN 52 Cb 0.30 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.05 1vdg n GLN 52 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1vdg h GLU 53 N 0.00 -0.15 -0.19 -1.09 3.07 -2.00 -1.52 114.58 112.70 1vdg h GLU 53 Ca 0.53 0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 59.27 1vdg h GLU 53 Cb 1.68 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.61 1vdg h GLU 53 CO -0.30 -0.10 -0.43 -0.07 -1.40 0.00 0.00 179.01 176.71 1vdg h LEU 54 N -0.16 0.49 -0.97 1.33 3.38 0.42 -3.21 115.31 116.60 1vdg h LEU 54 Ca 0.13 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1vdg h LEU 54 Cb 0.35 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1vdg h LEU 54 CO -0.32 0.86 0.03 0.58 0.09 0.00 0.00 178.44 179.69 1vdg h VAL 55 N 0.38 1.23 0.00 1.22 2.07 -1.21 0.02 116.25 119.96 1vdg h VAL 55 Ca 0.03 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 1vdg h VAL 55 Cb 0.91 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1vdg h VAL 55 CO 0.08 0.33 -0.18 0.11 0.02 0.00 0.00 177.57 177.93 1vdg h LYS 56 N 0.74 0.00 -0.01 1.57 1.57 -1.30 -1.82 116.57 117.32 1vdg h LYS 56 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1vdg h LYS 56 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1vdg h LYS 56 CO 0.01 0.18 -0.40 1.63 -0.57 0.00 0.00 179.45 180.31 1vdg n LYS 57 N -3.62 0.62 -2.38 3.15 5.02 -0.76 0.75 118.16 120.94 1vdg n LYS 57 Ca -0.01 -0.40 -0.05 0.00 -2.02 0.00 0.00 58.31 55.82 1vdg n LYS 57 Cb 0.32 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.84 1vdg n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vdg n GLY 58 N 1.40 0.34 3.17 0.72 0.00 -0.50 -4.84 105.19 105.48 1vdg n GLY 58 Ca 0.10 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 1vdg n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vdg s GLN 59 N -4.70 2.72 -0.64 1.61 -0.21 -0.13 -0.96 119.66 117.36 1vdg s GLN 59 Ca 0.06 -1.04 0.03 0.00 0.02 0.00 0.00 55.36 54.43 1vdg s GLN 59 Cb -0.03 -2.94 0.16 0.00 1.00 0.00 0.00 33.01 31.20 1vdg s GLN 59 CO 0.07 -0.42 0.42 -0.06 -2.12 0.00 0.00 175.29 173.18 1vdg s PHE 60 N 1.28 3.43 0.35 0.91 0.40 0.91 -4.16 117.98 121.10 1vdg s PHE 60 Ca -0.01 -3.20 -0.26 0.00 -0.60 0.00 0.00 56.93 52.86 1vdg s PHE 60 Cb -0.17 -2.84 -0.09 0.00 0.51 0.00 0.00 43.02 40.43 1vdg s PHE 60 CO -0.05 -0.67 1.04 -1.25 0.70 0.00 0.00 175.22 174.99 1vdg s PRO 61 N -0.86 4.39 -0.38 0.24 0.04 -1.26 0.02 135.00 137.19 1vdg s PRO 61 Ca 0.21 1.56 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1vdg s PRO 61 Cb -0.15 -2.79 0.12 0.00 0.04 0.00 0.00 34.50 31.72 1vdg s PRO 61 CO -0.08 0.05 0.16 0.42 0.04 0.00 0.00 177.00 177.59 1vdg s ILE 62 N -1.49 1.43 0.25 0.56 1.01 0.21 -4.94 121.20 118.21 1vdg s ILE 62 Ca 0.52 -2.16 -0.04 0.00 0.00 0.00 0.00 60.65 58.97 1vdg s ILE 62 Cb -0.24 -2.03 0.22 0.00 0.01 0.00 0.00 42.46 40.41 1vdg s ILE 62 CO 0.31 -0.77 1.75 -0.65 0.00 0.00 0.00 174.94 175.58 1vdg h PRO 63 N 7.33 0.53 -2.39 2.79 0.11 -1.90 -1.67 132.00 136.80 1vdg h PRO 63 Ca -0.06 -0.03 -0.45 0.00 0.11 0.00 0.00 66.00 65.56 1vdg h PRO 63 Cb 0.97 -0.12 -0.36 0.00 0.11 0.00 0.00 31.00 31.60 1vdg h PRO 63 CO 0.50 0.35 -0.74 0.45 -0.21 0.00 0.00 178.00 178.35 1vdg s SER 64 N -5.41 2.41 0.51 -2.05 0.15 -1.26 -3.18 113.70 104.87 1vdg s SER 64 Ca -0.12 -1.41 -0.22 0.00 0.70 0.00 0.00 55.95 54.90 1vdg s SER 64 Cb 0.20 0.06 -0.06 0.00 -1.71 0.00 0.00 66.02 64.51 1vdg s SER 64 CO 0.77 -0.36 1.26 -0.51 1.20 0.00 0.00 173.24 175.60 1vdg s ILE 65 N 1.80 2.57 0.13 6.45 2.07 -0.06 -4.80 121.20 129.36 1vdg s ILE 65 Ca 0.13 0.42 0.03 0.00 -1.41 0.00 0.00 60.65 59.82 1vdg s ILE 65 Cb -0.17 -3.21 -0.04 0.00 0.13 0.00 0.00 42.46 39.16 1vdg s ILE 65 CO -0.20 -0.01 -0.08 0.42 -1.91 0.00 0.00 174.94 173.16 1vdg s THR 66 N -1.43 0.93 0.51 4.00 -4.23 -1.26 -1.33 115.64 112.83 1vdg s THR 66 Ca 0.68 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.51 1vdg s THR 66 Cb -0.35 -1.81 0.50 0.00 1.34 0.00 0.00 72.50 72.19 1vdg s THR 66 CO 0.41 -0.77 1.83 -0.50 -0.54 0.00 0.00 174.62 175.04 1vdg h TRP 67 N 2.85 0.13 0.00 3.99 4.06 -1.97 0.51 115.95 125.51 1vdg h TRP 67 Ca -0.36 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.58 1vdg h TRP 67 Cb 1.18 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 29.30 1vdg h TRP 67 CO 0.61 0.01 -0.08 1.49 -3.56 0.00 0.00 178.44 176.92 1vdg h GLU 68 N 0.08 0.00 0.00 0.49 4.22 -2.00 -2.78 114.58 114.58 1vdg h GLU 68 Ca 0.53 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.82 1vdg h GLU 68 Cb 1.95 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.18 1vdg h GLU 68 CO -0.06 0.08 -0.72 0.45 -2.18 0.00 0.00 179.01 176.58 1vdg h HIS 69 N 0.00 0.00 -3.23 0.92 3.86 -0.38 -3.47 115.15 112.85 1vdg h HIS 69 Ca -0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 1vdg h HIS 69 Cb 0.43 0.00 0.19 0.00 1.06 0.00 0.00 27.41 29.09 1vdg h HIS 69 CO 0.00 0.72 -0.45 0.00 0.86 0.00 0.00 177.93 179.06 1vdg n ALA 70 N -2.37 -1.76 0.00 2.45 0.00 -1.05 -4.95 120.51 112.82 1vdg n ALA 70 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1vdg n ALA 70 Cb 0.72 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1vdg n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vdg n GLY 71 N 1.65 2.37 3.62 0.00 0.00 -0.91 -4.98 105.19 106.94 1vdg n GLY 71 Ca 0.09 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 1vdg n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vdg s ARG 72 N -1.90 4.05 0.28 1.61 3.52 -1.26 -0.62 118.95 124.63 1vdg s ARG 72 Ca 0.00 0.01 0.11 0.00 -0.13 0.00 0.00 55.73 55.72 1vdg s ARG 72 Cb 0.00 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.72 1vdg s ARG 72 CO 0.00 -0.19 -0.11 0.71 -0.81 0.00 0.00 175.30 174.91 1vdg s TYR 73 N 1.79 2.48 0.01 5.12 1.51 0.39 0.13 117.35 128.77 1vdg s TYR 73 Ca 0.14 -0.29 -0.16 0.00 -1.01 0.00 0.00 57.07 55.75 1vdg s TYR 73 Cb -0.15 -1.10 0.03 0.00 -0.11 0.00 0.00 41.96 40.63 1vdg s TYR 73 CO 0.09 0.67 0.35 1.03 -1.11 0.00 0.00 175.55 176.58 1vdg s ARG 74 N -3.59 0.78 0.12 -0.62 0.52 -0.86 -0.53 118.95 114.76 1vdg s ARG 74 Ca 0.31 -0.27 -0.00 0.00 -0.52 0.00 0.00 55.73 55.24 1vdg s ARG 74 Cb -0.05 0.35 -0.04 0.00 0.52 0.00 0.00 34.95 35.72 1vdg s ARG 74 CO 0.17 -0.24 0.03 0.00 0.02 0.00 0.00 175.30 175.28 1vdg s TYR 76 N -3.95 0.11 -0.03 0.00 -0.85 -0.18 -0.21 117.35 112.24 1vdg s TYR 76 Ca 0.20 -0.63 0.01 0.00 -0.52 0.00 0.00 57.07 56.13 1vdg s TYR 76 Cb 0.07 0.64 0.01 0.00 0.38 0.00 0.00 41.96 43.06 1vdg s TYR 76 CO -0.00 -1.35 -0.05 1.52 -1.52 0.00 0.00 175.55 174.15 1vdg s TYR 77 N -3.17 0.71 0.00 -3.49 -0.85 -1.24 0.24 117.35 109.54 1vdg s TYR 77 Ca 0.16 -0.18 0.00 0.00 -0.52 0.00 0.00 57.07 56.53 1vdg s TYR 77 Cb -0.05 -0.58 0.00 0.00 0.38 0.00 0.00 41.96 41.71 1vdg s TYR 77 CO 0.10 -0.13 0.00 0.41 -1.52 0.00 0.00 175.55 174.41 1vdg n GLY 78 N 3.69 -0.01 0.00 5.49 0.00 0.42 -1.93 105.19 112.85 1vdg n GLY 78 Ca -0.22 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.60 1vdg n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vdg n GLY 83 N 0.00 0.00 3.33 -0.02 0.00 -1.26 -4.94 105.19 102.30 1vdg n GLY 83 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1vdg n GLY 83 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1vdg s ARG 84 N 0.00 1.54 0.38 1.61 1.70 -1.26 -5.17 118.95 117.74 1vdg s ARG 84 Ca 0.00 -1.86 0.07 0.00 -0.47 0.00 0.00 55.73 53.47 1vdg s ARG 84 Cb 0.00 -0.16 -0.01 0.00 -0.57 0.00 0.00 34.95 34.21 1vdg s ARG 84 CO 0.00 -0.40 0.46 -1.54 -1.08 0.00 0.00 175.30 172.75 1vdg s SER 85 N -3.36 5.63 0.88 -2.89 1.04 -0.81 -4.87 113.70 109.32 1vdg s SER 85 Ca 0.36 -0.39 -0.11 0.00 0.48 0.00 0.00 55.95 56.29 1vdg s SER 85 Cb 0.06 -0.90 0.12 0.00 0.10 0.00 0.00 66.02 65.40 1vdg s SER 85 CO 0.16 -0.56 1.10 -1.61 0.98 0.00 0.00 173.24 173.30 1vdg s GLU 86 N -4.20 1.40 0.41 4.02 2.02 -1.26 -4.61 118.70 116.47 1vdg s GLU 86 Ca 0.48 1.09 -0.24 0.00 0.02 0.00 0.00 54.97 56.33 1vdg s GLU 86 Cb -0.08 -1.80 -0.09 0.00 0.10 0.00 0.00 34.13 32.26 1vdg s GLU 86 CO 0.31 -2.22 1.06 -1.12 0.02 0.00 0.00 175.26 173.30 1vdg s SER 87 N -3.19 6.69 1.00 -0.19 0.01 -1.26 -4.35 113.70 112.40 1vdg s SER 87 Ca 0.64 2.06 -0.12 0.00 1.31 0.00 0.00 55.95 59.84 1vdg s SER 87 Cb -0.19 -2.59 0.19 0.00 0.21 0.00 0.00 66.02 63.64 1vdg s SER 87 CO 0.57 -0.54 1.08 -0.94 0.41 0.00 0.00 173.24 173.82 1vdg s SER 88 N -1.56 2.48 0.82 2.44 1.04 0.70 -4.83 113.70 114.79 1vdg s SER 88 Ca 0.59 1.60 -0.13 0.00 0.48 0.00 0.00 55.95 58.49 1vdg s SER 88 Cb -0.22 -2.26 0.09 0.00 0.10 0.00 0.00 66.02 63.73 1vdg s SER 88 CO 0.28 -3.28 1.19 -1.81 0.98 0.00 0.00 173.24 170.60 1vdg s ASP 89 N -3.00 3.59 0.40 7.02 1.01 -1.26 -4.56 116.67 119.87 1vdg s ASP 89 Ca 0.66 2.30 -0.25 0.00 0.71 0.00 0.00 52.55 55.96 1vdg s ASP 89 Cb -0.21 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.05 1vdg s ASP 89 CO 0.60 -2.66 1.17 -2.16 0.21 0.00 0.00 175.17 172.33 1vdg s PRO 90 N -4.25 4.07 -0.18 8.23 0.04 -1.26 -4.74 135.00 136.91 1vdg s PRO 90 Ca 0.71 1.85 0.01 0.00 0.04 0.00 0.00 61.00 63.61 1vdg s PRO 90 Cb -0.27 -2.69 0.02 0.00 0.04 0.00 0.00 34.50 31.60 1vdg s PRO 90 CO 0.51 -0.31 -0.19 -1.17 0.04 0.00 0.00 177.00 175.89 1vdg s LEU 91 N -2.46 2.19 -0.31 -3.56 0.20 0.31 -4.94 118.68 110.10 1vdg s LEU 91 Ca 0.57 -0.64 -0.17 0.00 0.69 0.00 0.00 54.13 54.58 1vdg s LEU 91 Cb -0.31 -1.50 -0.01 0.00 -0.43 0.00 0.00 46.19 43.94 1vdg s LEU 91 CO 0.39 -0.00 0.49 -1.61 -0.29 0.00 0.00 176.35 175.32 1vdg s GLU 92 N 1.30 3.79 -0.23 1.98 2.02 -1.26 -0.46 118.70 125.84 1vdg s GLU 92 Ca 0.05 -0.02 -0.17 0.00 0.02 0.00 0.00 54.97 54.85 1vdg s GLU 92 Cb -0.13 -3.75 -0.03 0.00 0.10 0.00 0.00 34.13 30.32 1vdg s GLU 92 CO -0.12 -0.51 0.48 -1.17 0.02 0.00 0.00 175.26 173.96 1vdg s LEU 93 N 2.31 4.11 -0.02 1.80 2.96 0.21 -4.76 118.68 125.28 1vdg s LEU 93 Ca 0.18 0.56 0.07 0.00 -0.22 0.00 0.00 54.13 54.72 1vdg s LEU 93 Cb -0.16 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.88 1vdg s LEU 93 CO 0.12 -0.19 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.04 1vdg s VAL 94 N 1.82 2.38 -0.06 1.68 1.01 0.42 -2.15 120.40 125.50 1vdg s VAL 94 Ca 0.21 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.22 1vdg s VAL 94 Cb -0.15 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1vdg s VAL 94 CO 0.09 0.56 -0.22 -0.69 0.00 0.00 0.00 175.10 174.84 1vdg s VAL 95 N -0.68 2.38 0.21 2.92 1.01 -0.91 -0.60 120.40 124.74 1vdg s VAL 95 Ca 0.11 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.23 1vdg s VAL 95 Cb -0.10 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1vdg s VAL 95 CO -0.00 0.57 -0.09 0.42 0.00 0.00 0.00 175.10 176.00 1vdg s THR 96 N -0.30 3.14 0.00 3.92 -4.23 -1.01 -1.05 115.64 116.11 1vdg s THR 96 Ca 0.01 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1vdg s THR 96 Cb -0.13 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1vdg s THR 96 CO 0.02 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 1vdg n GLY 97 N -0.20 1.44 0.08 3.99 0.00 -0.07 -1.53 105.19 108.91 1vdg n GLY 97 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 1vdg n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vdg h ALA 98 N 0.00 0.36 -2.05 4.61 0.00 -1.58 -3.42 119.26 117.18 1vdg h ALA 98 Ca 0.00 -1.04 -0.49 0.00 0.00 0.00 0.00 54.91 53.38 1vdg h ALA 98 Cb 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.72 1vdg h ALA 98 CO 0.00 1.24 -0.65 0.71 0.00 0.00 0.00 179.25 180.55 1vdg s TYR 99 N -2.66 1.96 0.99 0.00 1.51 -1.26 -4.95 117.35 112.93 1vdg s TYR 99 Ca -0.03 -0.78 -0.14 0.00 -1.01 0.00 0.00 57.07 55.10 1vdg s TYR 99 Cb 0.08 -1.18 0.03 0.00 -0.11 0.00 0.00 41.96 40.78 1vdg s TYR 99 CO 0.84 0.19 0.20 0.44 -1.11 0.00 0.00 175.55 176.11 1vdg n ILE 100 N -0.62 0.00 -3.53 2.71 -5.35 -1.26 -1.67 119.36 109.63 1vdg n ILE 100 Ca -0.05 -0.23 -0.38 0.00 -0.27 0.00 0.00 62.75 61.82 1vdg n ILE 100 Cb 0.64 -0.55 -0.06 0.00 -1.74 0.00 0.00 39.64 37.93 1vdg n ILE 100 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1vdg s LYS 101 N -3.43 3.93 0.97 6.28 -2.85 -1.26 -4.04 119.74 119.34 1vdg s LYS 101 Ca 0.55 0.32 -0.16 0.00 -1.00 0.00 0.00 55.97 55.68 1vdg s LYS 101 Cb -0.19 -3.26 0.21 0.00 -2.06 0.00 0.00 37.83 32.54 1vdg s LYS 101 CO 0.69 0.61 1.33 -1.25 0.10 0.00 0.00 175.35 176.83 1vdg s PRO 102 N -0.77 0.55 -0.03 1.78 0.04 -1.26 -4.81 135.00 130.51 1vdg s PRO 102 Ca 0.22 -0.46 0.04 0.00 0.04 0.00 0.00 61.00 60.84 1vdg s PRO 102 Cb -0.16 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1vdg s PRO 102 CO 0.11 -2.47 -0.14 0.99 0.04 0.00 0.00 177.00 175.53 1vdg s THR 103 N -3.91 3.08 -0.17 1.26 2.01 0.34 -4.40 115.64 113.84 1vdg s THR 103 Ca 0.75 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 1vdg s THR 103 Cb -0.03 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 1vdg s THR 103 CO 0.53 0.52 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.66 1vdg s LEU 104 N -0.95 2.72 0.13 4.42 2.96 -1.26 -1.40 118.68 125.29 1vdg s LEU 104 Ca 0.13 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 1vdg s LEU 104 Cb -0.11 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 1vdg s LEU 104 CO 0.02 0.07 -0.11 -0.94 -1.32 0.00 0.00 176.35 174.07 1vdg s SER 105 N 0.92 1.76 -0.21 3.68 1.04 -0.19 -4.93 113.70 115.78 1vdg s SER 105 Ca -0.02 -0.91 -0.04 0.00 0.48 0.00 0.00 55.95 55.46 1vdg s SER 105 Cb -0.15 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 1vdg s SER 105 CO -0.00 -0.26 -0.04 0.00 0.98 0.00 0.00 173.24 173.92 1vdg s ALA 106 N -2.78 2.85 -0.18 5.32 0.00 -1.26 0.22 121.76 125.93 1vdg s ALA 106 Ca 0.12 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 1vdg s ALA 106 Cb -0.01 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 1vdg s ALA 106 CO 0.01 -0.33 -0.06 -0.65 0.00 0.00 0.00 175.76 174.74 1vdg s GLN 107 N 1.31 3.47 0.22 0.00 -1.52 -0.23 -2.16 119.66 120.75 1vdg s GLN 107 Ca 0.04 -0.60 0.07 0.00 -1.95 0.00 0.00 55.36 52.91 1vdg s GLN 107 Cb -0.14 -2.91 0.16 0.00 -0.22 0.00 0.00 33.01 29.90 1vdg s GLN 107 CO -0.01 0.01 1.50 -1.35 -0.25 0.00 0.00 175.29 175.19 1vdg h PRO 108 N 7.42 0.09 -3.48 2.91 0.11 -1.97 -3.24 132.00 133.84 1vdg h PRO 108 Ca -0.35 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 1vdg h PRO 108 Cb 1.18 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.21 1vdg h PRO 108 CO 0.60 0.78 -0.06 -1.54 -0.21 0.00 0.00 178.00 177.57 1vdg s SER 109 N -6.86 -0.16 0.46 -2.05 1.04 -0.92 -5.03 113.70 100.19 1vdg s SER 109 Ca -0.02 -0.68 0.26 0.00 0.48 0.00 0.00 55.95 55.99 1vdg s SER 109 Cb 0.12 0.56 0.98 0.00 0.10 0.00 0.00 66.02 67.77 1vdg s SER 109 CO 0.79 -1.07 1.84 -0.65 0.98 0.00 0.00 173.24 175.14 1vdg h PRO 110 N 2.27 0.00 -5.97 4.02 0.11 -1.90 -3.42 132.00 127.11 1vdg h PRO 110 Ca -0.28 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.24 1vdg h PRO 110 Cb 1.25 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 1vdg h PRO 110 CO 0.38 0.18 0.54 0.08 -0.21 0.00 0.00 178.00 178.97 1vdg s VAL 111 N -3.63 4.67 0.06 3.15 1.01 -1.26 -1.45 120.40 122.94 1vdg s VAL 111 Ca 0.01 1.24 0.02 0.00 0.00 0.00 0.00 61.98 63.25 1vdg s VAL 111 Cb 0.10 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1vdg s VAL 111 CO 0.62 -0.41 -0.07 0.68 0.00 0.00 0.00 175.10 175.92 1vdg s VAL 112 N 3.27 0.57 0.31 2.92 -7.23 -0.81 -4.98 120.40 114.45 1vdg s VAL 112 Ca 0.36 -1.46 -0.28 0.00 -1.81 0.00 0.00 61.98 58.80 1vdg s VAL 112 Cb -0.13 -1.08 -0.09 0.00 0.56 0.00 0.00 36.38 35.64 1vdg s VAL 112 CO 0.16 -0.62 1.01 0.20 -0.31 0.00 0.00 175.10 175.54 1vdg s ASN 113 N -2.24 7.26 0.02 4.85 0.01 -1.26 -0.73 114.94 122.85 1vdg s ASN 113 Ca -0.00 2.04 -0.37 0.00 -0.71 0.00 0.00 52.86 53.82 1vdg s ASN 113 Cb -0.03 -2.60 -0.16 0.00 0.41 0.00 0.00 41.25 38.87 1vdg s ASN 113 CO -0.02 -0.13 1.45 -0.24 -1.51 0.00 0.00 177.10 176.65 1vdg n SER 114 N 0.83 1.96 0.00 -1.22 2.88 -1.19 -0.46 113.62 116.42 1vdg n SER 114 Ca 0.01 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1vdg n SER 114 Cb 0.48 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1vdg n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vdg n GLY 115 N 2.96 0.89 2.82 0.46 0.00 0.33 -4.96 105.19 107.68 1vdg n GLY 115 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 1vdg n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vdg n GLY 116 N -2.00 0.42 3.25 -0.02 0.00 0.39 -4.53 105.19 102.70 1vdg n GLY 116 Ca 0.00 -1.97 -0.21 0.00 0.00 0.00 0.00 46.02 43.83 1vdg n GLY 116 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vdg s ASN 117 N -4.03 2.21 0.02 1.61 -0.87 -1.26 -1.33 114.94 111.29 1vdg s ASN 117 Ca 0.49 -0.68 0.03 0.00 -1.57 0.00 0.00 52.86 51.13 1vdg s ASN 117 Cb -0.03 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.25 41.09 1vdg s ASN 117 CO 0.33 -0.01 -0.09 0.54 -2.57 0.00 0.00 177.10 175.30 1vdg s VAL 118 N -1.31 0.71 -0.22 1.60 0.11 -0.01 -4.99 120.40 116.29 1vdg s VAL 118 Ca 0.04 -0.68 -0.18 0.00 -2.93 0.00 0.00 61.98 58.24 1vdg s VAL 118 Cb -0.09 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.07 1vdg s VAL 118 CO 0.04 -0.01 0.49 -0.63 -3.33 0.00 0.00 175.10 171.66 1vdg s ILE 119 N -0.64 5.12 -0.18 7.04 -1.09 -1.22 -1.11 121.20 129.11 1vdg s ILE 119 Ca -0.01 0.88 -0.08 0.00 -2.23 0.00 0.00 60.65 59.22 1vdg s ILE 119 Cb -0.06 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1vdg s ILE 119 CO 0.00 0.17 0.07 -0.76 -1.23 0.00 0.00 174.94 173.19 1vdg s LEU 120 N 1.75 3.86 -0.20 2.97 1.43 0.49 -1.07 118.68 127.92 1vdg s LEU 120 Ca 0.22 0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1vdg s LEU 120 Cb -0.15 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1vdg s LEU 120 CO 0.09 0.18 -0.06 -1.58 0.23 0.00 0.00 176.35 175.20 1vdg s GLN 121 N 0.36 3.38 -0.41 1.70 0.74 0.13 0.11 119.66 125.67 1vdg s GLN 121 Ca 0.04 -0.64 -0.09 0.00 0.05 0.00 0.00 55.36 54.71 1vdg s GLN 121 Cb -0.12 -2.92 0.07 0.00 1.10 0.00 0.00 33.01 31.14 1vdg s GLN 121 CO -0.00 -0.10 0.25 0.00 -0.55 0.00 0.00 175.29 174.89 1vdg s ASP 123 N 2.00 4.97 -0.10 0.00 1.11 -0.50 -0.24 116.67 123.91 1vdg s ASP 123 Ca 0.03 -0.05 -0.01 0.00 0.18 0.00 0.00 52.55 52.70 1vdg s ASP 123 Cb -0.22 -1.73 -0.03 0.00 1.07 0.00 0.00 42.92 42.01 1vdg s ASP 123 CO 0.03 0.21 -0.07 -0.55 1.18 0.00 0.00 175.17 175.97 1vdg s SER 124 N 0.12 4.54 0.02 0.27 0.15 0.14 -0.50 113.70 118.43 1vdg s SER 124 Ca 0.00 -0.12 0.18 0.00 0.70 0.00 0.00 55.95 56.71 1vdg s SER 124 Cb -0.13 -1.41 0.74 0.00 -1.71 0.00 0.00 66.02 63.51 1vdg s SER 124 CO 0.02 0.27 1.56 1.67 1.20 0.00 0.00 173.24 177.96 1vdg n GLN 125 N 2.85 0.02 -4.11 5.44 7.27 -1.26 -4.61 117.38 122.99 1vdg n GLN 125 Ca -0.18 0.22 -0.16 0.00 0.07 0.00 0.00 57.00 56.96 1vdg n GLN 125 Cb 0.53 -1.53 -0.15 0.00 2.41 0.00 0.00 30.24 31.50 1vdg n GLN 125 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1vdg s VAL 126 N -3.02 0.35 0.50 1.69 1.01 -1.26 -5.13 120.40 114.54 1vdg s VAL 126 Ca 0.08 -0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 1vdg s VAL 126 Cb 0.11 -0.32 -0.06 0.00 0.00 0.00 0.00 36.38 36.11 1vdg s VAL 126 CO 0.32 0.11 1.40 0.00 0.00 0.00 0.00 175.10 176.93 1vdg s ALA 127 N 0.07 3.01 -0.02 5.51 0.00 -1.26 -4.91 121.76 124.16 1vdg s ALA 127 Ca -0.00 1.41 -0.18 0.00 0.00 0.00 0.00 51.96 53.19 1vdg s ALA 127 Cb -0.04 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.53 1vdg s ALA 127 CO -0.00 -1.32 0.38 -0.06 0.00 0.00 0.00 175.76 174.76 1vdg s PHE 128 N -1.25 -0.28 -2.75 0.00 0.40 -1.26 -5.04 117.98 107.80 1vdg s PHE 128 Ca 0.67 0.45 0.25 0.00 -0.60 0.00 0.00 56.93 57.70 1vdg s PHE 128 Cb -0.42 0.16 0.39 0.00 0.51 0.00 0.00 43.02 43.65 1vdg s PHE 128 CO 0.52 -0.43 1.37 -0.40 0.70 0.00 0.00 175.22 176.98 1vdg n ASP 129 N 1.24 2.49 -3.79 1.36 5.68 -1.24 -4.77 116.55 117.53 1vdg n ASP 129 Ca -0.21 -1.80 -0.13 0.00 -0.50 0.00 0.00 54.79 52.16 1vdg n ASP 129 Cb 0.56 0.05 -0.13 0.00 -1.14 0.00 0.00 41.12 40.46 1vdg n ASP 129 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1vdg s GLY 130 N -2.06 -0.09 0.12 6.12 0.00 -0.07 -4.31 107.32 107.03 1vdg s GLY 130 Ca 0.29 0.56 0.07 0.00 0.00 0.00 0.00 44.72 45.64 1vdg s GLY 130 CO 0.34 0.65 -0.16 -1.36 0.00 0.00 0.00 173.10 172.58 1vdg s PHE 131 N 0.55 1.51 0.01 1.90 0.40 -0.46 0.65 117.98 122.54 1vdg s PHE 131 Ca -0.04 -0.51 0.02 0.00 -0.60 0.00 0.00 56.93 55.80 1vdg s PHE 131 Cb -0.05 -0.79 -0.01 0.00 0.51 0.00 0.00 43.02 42.67 1vdg s PHE 131 CO -0.03 0.18 -0.07 0.45 0.70 0.00 0.00 175.22 176.45 1vdg s SER 132 N -2.36 0.86 -0.17 1.36 0.15 0.28 -1.73 113.70 112.09 1vdg s SER 132 Ca 0.09 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1vdg s SER 132 Cb -0.06 -0.07 0.04 0.00 -1.71 0.00 0.00 66.02 64.22 1vdg s SER 132 CO 0.04 0.03 -0.10 -0.22 1.20 0.00 0.00 173.24 174.19 1vdg s LEU 133 N -0.45 1.93 0.07 3.45 2.96 0.36 0.55 118.68 127.55 1vdg s LEU 133 Ca 0.00 -0.71 0.09 0.00 -0.22 0.00 0.00 54.13 53.29 1vdg s LEU 133 Cb -0.04 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.49 1vdg s LEU 133 CO -0.00 -0.13 -0.24 0.00 -1.32 0.00 0.00 176.35 174.66 1vdg s LYS 135 N -1.56 2.58 -0.89 0.00 2.20 -1.26 -1.91 119.74 118.91 1vdg s LYS 135 Ca 0.14 -1.19 -0.22 0.00 -0.36 0.00 0.00 55.97 54.33 1vdg s LYS 135 Cb -0.10 -3.38 -0.14 0.00 -1.51 0.00 0.00 37.83 32.70 1vdg s LYS 135 CO 0.04 -0.65 1.92 0.39 -0.36 0.00 0.00 175.35 176.70 1vdg n GLU 136 N 4.76 1.53 -1.37 4.03 -0.58 -0.60 -4.96 120.64 123.45 1vdg n GLU 136 Ca -0.13 -2.03 -0.00 0.00 -0.42 0.00 0.00 57.16 54.58 1vdg n GLU 136 Cb 0.44 -3.16 -0.00 0.00 -0.57 0.00 0.00 31.44 28.15 1vdg n GLU 136 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1vdg n GLN 143 N 7.41 -0.90 -4.14 3.49 1.13 -1.26 -4.90 117.38 118.21 1vdg n GLN 143 Ca 0.48 1.07 -0.22 0.00 -1.94 0.00 0.00 57.00 56.39 1vdg n GLN 143 Cb 0.42 -1.39 -0.05 0.00 0.11 0.00 0.00 30.24 29.33 1vdg n GLN 143 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1vdg s LEU 145 N -3.78 2.74 -0.13 0.00 1.02 0.19 -4.92 118.68 113.80 1vdg s LEU 145 Ca 0.32 -0.27 0.02 0.00 0.02 0.00 0.00 54.13 54.22 1vdg s LEU 145 Cb -0.08 -1.58 -0.00 0.00 0.02 0.00 0.00 46.19 44.55 1vdg s LEU 145 CO 0.24 0.30 -0.18 0.20 0.02 0.00 0.00 176.35 176.93 1vdg s ASN 146 N -1.07 3.49 0.14 2.29 -0.87 -1.26 -0.49 114.94 117.17 1vdg s ASN 146 Ca 0.13 -0.48 0.05 0.00 -1.57 0.00 0.00 52.86 50.99 1vdg s ASN 146 Cb -0.11 -1.51 -0.04 0.00 -0.02 0.00 0.00 41.25 39.57 1vdg s ASN 146 CO 0.03 0.12 -0.11 -0.55 -2.57 0.00 0.00 177.10 174.03 1vdg s SER 147 N 0.58 1.83 0.49 -1.22 0.15 -0.70 -5.02 113.70 109.81 1vdg s SER 147 Ca -0.11 -0.97 0.04 0.00 0.70 0.00 0.00 55.95 55.61 1vdg s SER 147 Cb -0.16 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.15 1vdg s SER 147 CO 0.03 -0.29 0.68 0.00 1.20 0.00 0.00 173.24 174.86 1vdg s GLN 148 N -3.52 2.70 1.24 5.44 1.03 -1.26 -1.35 119.66 123.94 1vdg s GLN 148 Ca 0.15 -0.95 -0.18 0.00 0.04 0.00 0.00 55.36 54.43 1vdg s GLN 148 Cb 0.01 -2.61 0.27 0.00 0.03 0.00 0.00 33.01 30.71 1vdg s GLN 148 CO 0.01 -0.49 0.65 -2.30 -2.54 0.00 0.00 175.29 170.62 1vdg n PRO 149 N -2.12 -3.01 -4.91 9.60 -0.02 -1.26 -4.73 135.00 128.55 1vdg n PRO 149 Ca 0.07 -0.87 -0.33 0.00 -2.02 0.00 0.00 63.50 60.35 1vdg n PRO 149 Cb 0.59 -1.89 -0.15 0.00 -0.02 0.00 0.00 33.50 32.03 1vdg n PRO 149 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1vdg s HIS 150 N -2.23 2.72 0.00 6.00 5.65 0.23 -4.90 115.29 122.77 1vdg s HIS 150 Ca 0.61 -0.69 0.00 0.00 0.25 0.00 0.00 55.06 55.23 1vdg s HIS 150 Cb -0.16 -1.78 0.00 0.00 -1.18 0.00 0.00 32.58 29.46 1vdg s HIS 150 CO 0.59 -0.22 0.00 0.00 -0.65 0.00 0.00 174.74 174.46 1vdg n ALA 151 N 3.37 0.00 -3.77 1.58 0.00 -1.26 -3.22 120.51 117.22 1vdg n ALA 151 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.90 1vdg n ALA 151 Cb 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.87 1vdg n ALA 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1vdg s ARG 152 N -2.46 2.20 0.00 0.00 3.52 -1.26 -5.01 118.95 115.94 1vdg s ARG 152 Ca 0.00 -2.12 0.00 0.00 -0.13 0.00 0.00 55.73 53.48 1vdg s ARG 152 Cb 0.00 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1vdg s ARG 152 CO 0.00 -1.11 0.00 0.41 -0.81 0.00 0.00 175.30 173.79 1vdg n GLY 153 N 4.11 1.61 3.21 8.12 0.00 -1.20 -5.03 105.19 116.02 1vdg n GLY 153 Ca 0.02 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1vdg n GLY 153 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vdg n SER 154 N 0.00 5.30 -1.60 1.61 2.88 -1.26 -4.39 113.62 116.16 1vdg n SER 154 Ca 0.00 -3.06 -0.00 0.00 -1.33 0.00 0.00 58.87 54.48 1vdg n SER 154 Cb 0.00 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 61.96 1vdg n SER 154 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1vdg n SER 155 N 4.43 -2.40 -3.73 -3.46 2.88 -1.26 -4.54 113.62 105.53 1vdg n SER 155 Ca 0.36 0.01 -0.13 0.00 -1.33 0.00 0.00 58.87 57.79 1vdg n SER 155 Cb 0.39 -1.30 -0.10 0.00 -0.75 0.00 0.00 64.21 62.45 1vdg n SER 155 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1vdg s ARG 156 N -2.11 0.44 -0.01 -1.46 3.52 -1.26 0.24 118.95 118.31 1vdg s ARG 156 Ca 0.01 0.57 0.08 0.00 -0.13 0.00 0.00 55.73 56.26 1vdg s ARG 156 Cb -0.00 0.18 -0.02 0.00 -1.56 0.00 0.00 34.95 33.55 1vdg s ARG 156 CO 0.05 -0.07 -0.24 0.00 -0.81 0.00 0.00 175.30 174.23 1vdg s ALA 157 N 0.38 2.03 -0.04 6.12 0.00 0.67 -0.60 121.76 130.30 1vdg s ALA 157 Ca -0.01 -1.07 0.07 0.00 0.00 0.00 0.00 51.96 50.94 1vdg s ALA 157 Cb -0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1vdg s ALA 157 CO -0.01 0.49 -0.25 0.96 0.00 0.00 0.00 175.76 176.95 1vdg s ILE 158 N -0.61 2.13 0.13 0.00 -0.00 -1.26 0.11 121.20 121.71 1vdg s ILE 158 Ca 0.09 -1.05 0.11 0.00 -0.00 0.00 0.00 60.65 59.80 1vdg s ILE 158 Cb -0.09 -1.76 -0.04 0.00 -0.00 0.00 0.00 42.46 40.56 1vdg s ILE 158 CO -0.00 0.57 -0.26 -0.36 -0.00 0.00 0.00 174.94 174.89 1vdg s PHE 159 N -0.36 2.27 -0.31 1.37 0.40 0.30 -4.93 117.98 116.71 1vdg s PHE 159 Ca 0.02 -0.38 -0.04 0.00 -0.60 0.00 0.00 56.93 55.93 1vdg s PHE 159 Cb -0.12 -1.22 0.04 0.00 0.51 0.00 0.00 43.02 42.23 1vdg s PHE 159 CO 0.02 0.35 0.05 0.45 0.70 0.00 0.00 175.22 176.78 1vdg s SER 160 N -2.11 5.06 -0.05 1.36 0.15 -1.26 0.18 113.70 117.03 1vdg s SER 160 Ca 0.14 -1.11 0.04 0.00 0.70 0.00 0.00 55.95 55.72 1vdg s SER 160 Cb -0.10 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.39 1vdg s SER 160 CO 0.06 -0.27 -0.15 0.68 1.20 0.00 0.00 173.24 174.77 1vdg s VAL 161 N 1.36 3.04 0.00 4.45 -7.23 -0.27 -4.96 120.40 116.78 1vdg s VAL 161 Ca -0.02 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 1vdg s VAL 161 Cb -0.19 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1vdg s VAL 161 CO 0.01 0.59 0.00 0.61 -0.31 0.00 0.00 175.10 176.00 1vdg n GLY 162 N 2.34 2.74 3.74 2.32 0.00 -1.26 -0.83 105.19 114.24 1vdg n GLY 162 Ca -0.17 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1vdg n GLY 162 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1vdg s PRO 163 N -2.09 4.49 0.42 1.61 0.02 -1.26 -5.00 135.00 133.20 1vdg s PRO 163 Ca 0.00 1.92 -0.06 0.00 0.02 0.00 0.00 61.00 62.87 1vdg s PRO 163 Cb 0.00 -3.21 -0.05 0.00 0.02 0.00 0.00 34.50 31.26 1vdg s PRO 163 CO 0.00 -0.06 0.73 0.14 -0.33 0.00 0.00 177.00 177.48 1vdg s VAL 164 N -0.35 4.90 -0.07 3.83 -7.23 -0.44 -4.83 120.40 116.22 1vdg s VAL 164 Ca 0.51 0.26 -0.12 0.00 -1.81 0.00 0.00 61.98 60.82 1vdg s VAL 164 Cb -0.34 -3.80 0.03 0.00 0.56 0.00 0.00 36.38 32.83 1vdg s VAL 164 CO 0.39 -0.65 0.30 -0.94 -0.31 0.00 0.00 175.10 173.90 1vdg s SER 165 N -3.66 -0.25 0.33 4.85 1.04 -1.26 0.12 113.70 114.87 1vdg s SER 165 Ca 0.47 0.37 0.04 0.00 0.48 0.00 0.00 55.95 57.31 1vdg s SER 165 Cb -0.10 0.49 0.66 0.00 0.10 0.00 0.00 66.02 67.16 1vdg s SER 165 CO 0.38 -0.25 1.92 -0.65 0.98 0.00 0.00 173.24 175.62 1vdg h PRO 166 N 4.88 0.84 0.00 4.02 0.11 -1.90 -1.45 132.00 138.51 1vdg h PRO 166 Ca -0.28 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1vdg h PRO 166 Cb 1.18 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1vdg h PRO 166 CO 0.35 0.56 0.08 -1.13 -0.21 0.00 0.00 178.00 177.64 1vdg n SER 167 N -4.50 0.05 -4.32 -2.05 3.41 -1.26 -4.63 113.62 100.33 1vdg n SER 167 Ca 0.13 0.46 -0.19 0.00 -0.26 0.00 0.00 58.87 59.01 1vdg n SER 167 Cb 0.25 -0.46 -0.11 0.00 -0.26 0.00 0.00 64.21 63.64 1vdg n SER 167 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1vdg s ARG 168 N -2.93 1.25 -0.13 4.33 0.52 -0.55 -5.12 118.95 116.33 1vdg s ARG 168 Ca -0.00 -1.47 -0.26 0.00 -0.52 0.00 0.00 55.73 53.48 1vdg s ARG 168 Cb 0.01 -1.14 -0.02 0.00 0.52 0.00 0.00 34.95 34.32 1vdg s ARG 168 CO 0.02 0.21 0.84 -0.98 0.02 0.00 0.00 175.30 175.40 1vdg s ARG 169 N -3.23 4.36 -0.61 3.54 1.70 -1.26 -4.83 118.95 118.62 1vdg s ARG 169 Ca 0.18 1.06 0.05 0.00 -0.47 0.00 0.00 55.73 56.56 1vdg s ARG 169 Cb -0.03 -3.54 0.19 0.00 -0.57 0.00 0.00 34.95 31.01 1vdg s ARG 169 CO 0.06 -0.23 0.53 0.91 -1.08 0.00 0.00 175.30 175.49 1vdg n TRP 170 N 4.81 2.26 -4.23 5.89 7.02 -1.26 -5.03 117.44 126.90 1vdg n TRP 170 Ca 0.04 -4.03 -0.34 0.00 -1.02 0.00 0.00 57.50 52.15 1vdg n TRP 170 Cb 0.49 -0.42 -0.12 0.00 -2.42 0.00 0.00 31.31 28.84 1vdg n TRP 170 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1vdg s TRP 171 N -1.38 3.02 0.25 -5.99 0.51 -1.26 -0.56 118.94 113.52 1vdg s TRP 171 Ca 0.31 -0.41 0.05 0.00 -2.12 0.00 0.00 56.10 53.93 1vdg s TRP 171 Cb 0.03 -2.02 -0.05 0.00 -0.81 0.00 0.00 33.47 30.62 1vdg s TRP 171 CO -0.14 -0.16 -0.05 0.71 -0.51 0.00 0.00 176.95 176.81 1vdg s TYR 172 N 0.71 1.75 -0.09 -1.98 1.51 0.33 -1.56 117.35 118.02 1vdg s TYR 172 Ca -0.01 -0.78 -0.21 0.00 -1.01 0.00 0.00 57.07 55.07 1vdg s TYR 172 Cb -0.14 -0.99 0.05 0.00 -0.11 0.00 0.00 41.96 40.76 1vdg s TYR 172 CO 0.02 0.16 0.50 1.03 -1.11 0.00 0.00 175.55 176.15 1vdg s ARG 173 N -3.77 0.76 0.11 -0.62 0.52 -0.80 -0.30 118.95 114.84 1vdg s ARG 173 Ca 0.28 0.29 0.07 0.00 -0.52 0.00 0.00 55.73 55.85 1vdg s ARG 173 Cb 0.04 0.35 -0.03 0.00 0.52 0.00 0.00 34.95 35.83 1vdg s ARG 173 CO 0.10 -0.18 -0.17 0.00 0.02 0.00 0.00 175.30 175.07 1vdg s TYR 175 N -1.59 1.77 0.04 0.00 1.51 0.19 -2.48 117.35 116.79 1vdg s TYR 175 Ca 0.06 -0.44 0.06 0.00 -1.01 0.00 0.00 57.07 55.74 1vdg s TYR 175 Cb -0.08 -0.94 -0.03 0.00 -0.11 0.00 0.00 41.96 40.79 1vdg s TYR 175 CO 0.04 0.24 -0.12 0.00 -1.11 0.00 0.00 175.55 174.59 1vdg s ALA 176 N -1.44 2.83 0.12 3.71 0.00 -1.26 0.10 121.76 125.81 1vdg s ALA 176 Ca 0.09 -1.13 -0.20 0.00 0.00 0.00 0.00 51.96 50.72 1vdg s ALA 176 Cb -0.09 -0.92 0.05 0.00 0.00 0.00 0.00 23.12 22.16 1vdg s ALA 176 CO 0.05 0.60 0.49 1.52 0.00 0.00 0.00 175.76 178.42 1vdg s TYR 177 N -1.01 -0.35 -0.14 0.00 -0.85 0.21 -1.16 117.35 114.06 1vdg s TYR 177 Ca 0.17 0.15 -0.14 0.00 -0.52 0.00 0.00 57.07 56.73 1vdg s TYR 177 Cb -0.11 0.37 -0.05 0.00 0.38 0.00 0.00 41.96 42.55 1vdg s TYR 177 CO 0.08 -0.73 0.32 0.34 -1.52 0.00 0.00 175.55 174.04 1vdg s ASP 178 N -2.59 6.50 0.57 -0.18 -1.08 -1.26 -0.89 116.67 117.75 1vdg s ASP 178 Ca 0.00 0.59 0.38 0.00 -0.52 0.00 0.00 52.55 53.00 1vdg s ASP 178 Cb 0.00 -2.20 1.90 0.00 -1.46 0.00 0.00 42.92 41.17 1vdg s ASP 178 CO -0.10 0.12 2.15 0.77 0.52 0.00 0.00 175.17 178.63 1vdg h SER 179 N 6.43 0.00 -0.01 -0.34 4.64 -1.94 -1.59 113.55 120.75 1vdg h SER 179 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1vdg h SER 179 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1vdg h SER 179 CO 0.74 0.00 0.01 0.78 -0.87 0.00 0.00 176.83 177.48 1vdg h ASN 180 N 0.00 0.00 -1.78 4.97 2.35 -2.01 -3.11 115.58 116.00 1vdg h ASN 180 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 1vdg h ASN 180 Cb 0.18 0.00 -0.35 0.00 0.05 0.00 0.00 38.32 38.20 1vdg h ASN 180 CO 0.00 0.00 -0.98 -0.24 -1.65 0.00 0.00 177.43 174.56 1vdg n SER 181 N -4.01 -0.48 0.00 5.81 2.88 -0.61 -5.01 113.62 112.21 1vdg n SER 181 Ca -0.03 -2.72 0.00 0.00 -1.33 0.00 0.00 58.87 54.80 1vdg n SER 181 Cb 0.09 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1vdg n SER 181 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1vdg n PRO 182 N 1.77 0.00 -0.28 -1.46 -0.04 -1.15 -2.35 135.00 131.49 1vdg n PRO 182 Ca 0.21 0.27 0.07 0.00 -0.04 0.00 0.00 63.50 64.02 1vdg n PRO 182 Cb 0.53 -1.65 0.19 0.00 -0.04 0.00 0.00 33.50 32.54 1vdg n PRO 182 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1vdg n TYR 183 N -1.25 0.62 -3.90 0.54 4.02 -1.26 -4.84 117.16 111.09 1vdg n TYR 183 Ca 0.00 -0.74 -0.30 0.00 -0.01 0.00 0.00 57.90 56.85 1vdg n TYR 183 Cb 0.15 -0.18 -0.15 0.00 -0.02 0.00 0.00 39.34 39.13 1vdg n TYR 183 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1vdg s GLU 184 N -2.10 1.28 0.27 -0.72 2.02 -0.99 -2.13 118.70 116.33 1vdg s GLU 184 Ca 0.32 -1.30 0.06 0.00 0.02 0.00 0.00 54.97 54.07 1vdg s GLU 184 Cb 0.24 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 1vdg s GLU 184 CO 0.10 -0.83 0.34 -1.58 0.02 0.00 0.00 175.26 173.31 1vdg s TRP 185 N 1.31 3.26 1.17 1.61 0.51 -0.22 -4.60 118.94 121.99 1vdg s TRP 185 Ca 0.05 -0.10 -0.20 0.00 -2.12 0.00 0.00 56.10 53.73 1vdg s TRP 185 Cb -0.18 -1.64 0.30 0.00 -0.81 0.00 0.00 33.47 31.13 1vdg s TRP 185 CO -0.13 0.34 0.84 -1.13 -0.51 0.00 0.00 176.95 176.37 1vdg n SER 186 N -1.41 -2.97 -4.77 2.95 3.41 -0.30 -0.89 113.62 109.65 1vdg n SER 186 Ca -0.06 -0.91 -0.34 0.00 -0.26 0.00 0.00 58.87 57.29 1vdg n SER 186 Cb 0.58 -0.86 0.02 0.00 -0.26 0.00 0.00 64.21 63.69 1vdg n SER 186 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1vdg s LEU 187 N 0.00 3.61 0.69 1.04 1.43 -0.67 -1.84 118.68 122.94 1vdg s LEU 187 Ca 0.59 2.14 -0.13 0.00 -1.03 0.00 0.00 54.13 55.70 1vdg s LEU 187 Cb -0.08 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.58 1vdg s LEU 187 CO 0.48 -1.42 1.10 -2.16 0.23 0.00 0.00 176.35 174.58 1vdg s PRO 188 N -3.58 2.67 0.79 1.29 0.04 -1.26 -4.38 135.00 130.58 1vdg s PRO 188 Ca 0.71 1.28 -0.12 0.00 0.04 0.00 0.00 61.00 62.91 1vdg s PRO 188 Cb -0.23 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.43 1vdg s PRO 188 CO 0.33 -1.34 1.16 -1.54 0.04 0.00 0.00 177.00 175.66 1vdg s SER 189 N -2.94 4.64 0.78 6.66 1.04 -1.04 -4.74 113.70 118.12 1vdg s SER 189 Ca 0.64 0.85 -0.13 0.00 0.48 0.00 0.00 55.95 57.79 1vdg s SER 189 Cb -0.19 -1.39 0.07 0.00 0.10 0.00 0.00 66.02 64.61 1vdg s SER 189 CO 0.47 -1.82 1.18 -1.81 0.98 0.00 0.00 173.24 172.23 1vdg s ASP 190 N -4.53 3.89 0.14 7.02 1.01 -1.26 -4.68 116.67 118.26 1vdg s ASP 190 Ca 0.61 2.25 -0.30 0.00 0.71 0.00 0.00 52.55 55.82 1vdg s ASP 190 Cb -0.11 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.17 1vdg s ASP 190 CO 0.50 -2.46 1.27 -0.22 0.21 0.00 0.00 175.17 174.46 1vdg s LEU 191 N -5.62 4.40 -0.26 1.23 2.96 -1.26 -4.63 118.68 115.50 1vdg s LEU 191 Ca 0.71 2.23 -0.04 0.00 -0.22 0.00 0.00 54.13 56.81 1vdg s LEU 191 Cb -0.26 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 42.84 1vdg s LEU 191 CO 0.50 -0.50 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.80 1vdg s LEU 192 N 0.46 3.32 -0.24 -0.68 2.96 0.59 -4.95 118.68 120.15 1vdg s LEU 192 Ca 0.58 -0.66 -0.09 0.00 -0.22 0.00 0.00 54.13 53.74 1vdg s LEU 192 Cb -0.34 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1vdg s LEU 192 CO 0.33 -0.11 0.12 -0.70 -1.32 0.00 0.00 176.35 174.67 1vdg s GLU 193 N 1.43 3.88 0.02 1.98 2.12 -1.26 -0.51 118.70 126.35 1vdg s GLU 193 Ca 0.03 -0.37 -0.24 0.00 0.36 0.00 0.00 54.97 54.74 1vdg s GLU 193 Cb -0.16 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 1vdg s GLU 193 CO -0.02 -0.05 0.75 -0.51 -0.54 0.00 0.00 175.26 174.89 1vdg s LEU 194 N 1.30 4.42 -0.75 2.70 1.43 0.27 -4.88 118.68 123.17 1vdg s LEU 194 Ca 0.06 1.38 -0.14 0.00 -1.03 0.00 0.00 54.13 54.40 1vdg s LEU 194 Cb -0.15 -3.19 0.20 0.00 0.03 0.00 0.00 46.19 43.08 1vdg s LEU 194 CO 0.05 -0.01 0.69 -0.22 0.23 0.00 0.00 176.35 177.09 1vdg s LEU 195 N 0.14 6.57 0.60 1.79 2.96 -0.53 -4.63 118.68 125.59 1vdg s LEU 195 Ca 0.38 -2.49 -0.17 0.00 -0.22 0.00 0.00 54.13 51.63 1vdg s LEU 195 Cb -0.20 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 1vdg s LEU 195 CO 0.22 -0.63 1.11 -0.69 -1.32 0.00 0.00 176.35 175.04 1vdg s VAL 196 N 0.49 3.25 -2.41 1.68 1.01 -1.26 -1.93 120.40 121.23 1vdg s VAL 196 Ca 0.14 0.67 0.19 0.00 0.00 0.00 0.00 61.98 62.99 1vdg s VAL 196 Cb -0.15 -3.21 0.15 0.00 0.00 0.00 0.00 36.38 33.17 1vdg s VAL 196 CO -0.06 -0.27 1.11 -0.11 0.00 0.00 0.00 175.10 175.77