#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vwe s ARG 12 N 0.00 1.37 0.05 2.61 1.70 -1.26 -5.19 118.95 118.23 2vwe s ARG 12 Ca 0.00 -0.93 0.01 0.00 -0.47 0.00 0.00 55.73 54.34 2vwe s ARG 12 Cb 0.00 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.85 2vwe s ARG 12 CO 0.00 -0.57 -0.06 -1.59 -1.08 0.00 0.00 175.30 172.00 2vwe s LYS 13 N -3.89 0.58 0.27 3.89 -2.85 -1.26 -5.17 119.74 111.31 2vwe s LYS 13 Ca 0.11 -0.95 -0.02 0.00 -1.00 0.00 0.00 55.97 54.11 2vwe s LYS 13 Cb -0.00 -0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.60 2vwe s LYS 13 CO -0.02 -0.01 0.49 0.08 0.10 0.00 0.00 175.35 175.99 2vwe s VAL 14 N -2.34 5.12 -0.15 1.79 1.01 -1.26 -5.10 120.40 119.47 2vwe s VAL 14 Ca -0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 2vwe s VAL 14 Cb -0.03 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2vwe s VAL 14 CO -0.03 -0.33 -0.04 -0.69 0.00 0.00 0.00 175.10 174.01 2vwe s VAL 15 N -2.06 3.85 0.35 2.92 1.01 -1.26 -5.10 120.40 120.12 2vwe s VAL 15 Ca 0.41 -0.38 -0.28 0.00 0.00 0.00 0.00 61.98 61.73 2vwe s VAL 15 Cb -0.10 -2.68 -0.10 0.00 0.00 0.00 0.00 36.38 33.50 2vwe s VAL 15 CO 0.31 0.50 1.34 -0.55 0.00 0.00 0.00 175.10 176.70 2vwe s SER 16 N 0.28 6.61 0.38 3.32 0.15 -1.26 -4.88 113.70 118.30 2vwe s SER 16 Ca -0.03 2.75 0.07 0.00 0.70 0.00 0.00 55.95 59.43 2vwe s SER 16 Cb -0.14 -2.65 0.81 0.00 -1.71 0.00 0.00 66.02 62.33 2vwe s SER 16 CO 0.03 -0.65 1.99 -0.25 1.20 0.00 0.00 173.24 175.56 2vwe h TRP 17 N 3.18 0.65 -0.23 3.44 7.01 -1.99 -0.73 115.95 127.29 2vwe h TRP 17 Ca -0.49 0.02 0.03 0.00 2.11 0.00 0.00 58.89 60.55 2vwe h TRP 17 Cb 1.23 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 28.05 2vwe h TRP 17 CO 0.55 0.36 0.04 0.82 -2.79 0.00 0.00 178.44 177.42 2vwe h ILE 18 N 0.66 0.89 0.00 2.65 2.04 -2.00 -1.18 117.51 120.57 2vwe h ILE 18 Ca 0.26 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 66.04 2vwe h ILE 18 Cb 0.21 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2vwe h ILE 18 CO -0.08 0.02 -0.17 0.44 0.00 0.00 0.00 178.15 178.36 2vwe h ASP 19 N 0.13 0.00 0.09 1.72 3.32 -1.63 -1.61 116.42 118.44 2vwe h ASP 19 Ca 0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2vwe h ASP 19 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2vwe h ASP 19 CO -0.14 0.17 -0.04 0.58 -1.72 0.00 0.00 179.24 178.09 2vwe h VAL 20 N 0.00 1.15 0.00 -1.35 2.07 -0.37 -3.33 116.25 114.42 2vwe h VAL 20 Ca -0.00 -1.04 -0.14 0.00 0.82 0.00 0.00 66.70 66.33 2vwe h VAL 20 Cb 0.45 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2vwe h VAL 20 CO 0.02 0.25 -0.68 0.10 0.02 0.00 0.00 177.57 177.28 2vwe h TYR 21 N -0.62 0.00 -0.42 1.57 -0.00 -1.16 -3.06 116.97 113.28 2vwe h TYR 21 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 58.73 58.74 2vwe h TYR 21 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.20 2vwe h TYR 21 CO 0.08 0.68 0.24 1.15 -0.00 0.00 0.00 178.16 180.31 2vwe h THR 22 N 0.00 1.03 0.00 -0.90 2.02 -1.42 0.23 112.91 113.87 2vwe h THR 22 Ca -0.01 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 2vwe h THR 22 Cb 1.46 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2vwe h THR 22 CO 0.09 0.09 -0.32 0.54 0.37 0.00 0.00 175.52 176.29 2vwe n ARG 23 N -4.86 0.24 0.07 6.66 5.12 -1.25 -3.80 116.66 118.84 2vwe n ARG 23 Ca 0.02 0.13 0.04 0.00 -1.93 0.00 0.00 57.85 56.10 2vwe n ARG 23 Cb 0.07 -1.71 -0.04 0.00 -1.16 0.00 0.00 32.46 29.62 2vwe n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2vwe h ALA 24 N 2.58 0.63 -2.78 7.54 0.00 -1.25 -3.48 119.26 122.51 2vwe h ALA 24 Ca 0.00 -0.55 -0.52 0.00 0.00 0.00 0.00 54.91 53.84 2vwe h ALA 24 Cb 0.71 0.15 0.10 0.00 0.00 0.00 0.00 17.79 18.74 2vwe h ALA 24 CO 0.00 0.62 0.49 0.99 0.00 0.00 0.00 179.25 181.34 2vwe s THR 25 N -3.05 2.77 -0.37 0.00 2.01 0.72 -1.48 115.64 116.24 2vwe s THR 25 Ca -0.01 0.51 -0.38 0.00 0.31 0.00 0.00 61.69 62.13 2vwe s THR 25 Cb 0.09 -3.23 -0.14 0.00 0.01 0.00 0.00 72.50 69.23 2vwe s THR 25 CO 0.79 -0.07 2.12 0.00 -0.69 0.00 0.00 174.62 176.77 2vwe s GLN 27 N 5.83 1.79 0.08 0.00 -2.07 -1.16 -4.89 119.66 119.25 2vwe s GLN 27 Ca 1.10 -1.36 -0.31 0.00 -1.82 0.00 0.00 55.36 52.98 2vwe s GLN 27 Cb -1.03 0.51 -0.07 0.00 -1.09 0.00 0.00 33.01 31.34 2vwe s GLN 27 CO 0.55 -0.78 1.38 -2.14 -1.32 0.00 0.00 175.29 172.98 2vwe s PRO 28 N -3.48 4.32 0.06 9.60 0.02 -1.26 -2.75 135.00 141.51 2vwe s PRO 28 Ca 0.21 2.03 -0.04 0.00 0.02 0.00 0.00 61.00 63.22 2vwe s PRO 28 Cb -0.02 -3.33 -0.02 0.00 0.02 0.00 0.00 34.50 31.14 2vwe s PRO 28 CO 0.12 -0.45 0.06 -0.98 -0.33 0.00 0.00 177.00 175.41 2vwe s ARG 29 N 1.40 0.65 -0.22 5.54 1.70 0.41 -4.89 118.95 123.54 2vwe s ARG 29 Ca 0.64 -1.01 -0.29 0.00 -0.47 0.00 0.00 55.73 54.60 2vwe s ARG 29 Cb -0.35 0.25 -0.02 0.00 -0.57 0.00 0.00 34.95 34.26 2vwe s ARG 29 CO 0.29 -0.16 1.43 -2.00 -1.08 0.00 0.00 175.30 173.78 2vwe s GLU 30 N -3.49 3.98 -0.05 3.89 2.12 -1.26 -0.08 118.70 123.80 2vwe s GLU 30 Ca 0.03 1.56 0.03 0.00 0.36 0.00 0.00 54.97 56.95 2vwe s GLU 30 Cb 0.04 -3.91 0.00 0.00 0.26 0.00 0.00 34.13 30.52 2vwe s GLU 30 CO -0.09 -1.05 -0.15 0.08 -0.54 0.00 0.00 175.26 173.51 2vwe s VAL 31 N 4.40 1.31 0.18 3.70 1.01 -0.69 -4.95 120.40 125.36 2vwe s VAL 31 Ca 0.62 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 2vwe s VAL 31 Cb -0.22 -1.15 -0.08 0.00 0.00 0.00 0.00 36.38 34.93 2vwe s VAL 31 CO 0.24 0.39 1.13 0.68 0.00 0.00 0.00 175.10 177.53 2vwe s VAL 32 N 0.28 3.79 -0.16 2.92 -7.23 -1.26 -2.13 120.40 116.60 2vwe s VAL 32 Ca -0.08 1.53 0.00 0.00 -1.81 0.00 0.00 61.98 61.62 2vwe s VAL 32 Cb -0.13 -3.97 0.03 0.00 0.56 0.00 0.00 36.38 32.87 2vwe s VAL 32 CO 0.03 0.25 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.27 2vwe s VAL 33 N -0.15 1.50 0.07 1.32 1.01 0.51 -4.99 120.40 119.67 2vwe s VAL 33 Ca 0.51 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 2vwe s VAL 33 Cb -0.30 -1.50 -0.07 0.00 0.00 0.00 0.00 36.38 34.51 2vwe s VAL 33 CO 0.35 0.32 1.38 -2.84 0.00 0.00 0.00 175.10 174.31 2vwe s PRO 34 N 1.49 4.31 -0.39 2.72 0.02 -1.26 -1.84 135.00 140.05 2vwe s PRO 34 Ca 0.02 2.01 -0.29 0.00 0.02 0.00 0.00 61.00 62.77 2vwe s PRO 34 Cb -0.14 -3.38 0.01 0.00 0.02 0.00 0.00 34.50 31.01 2vwe s PRO 34 CO -0.09 -0.48 1.32 -0.51 -0.33 0.00 0.00 177.00 176.91 2vwe s LEU 35 N 1.60 3.68 0.20 -5.54 1.02 -0.25 -4.98 118.68 114.40 2vwe s LEU 35 Ca 0.64 0.86 0.11 0.00 0.02 0.00 0.00 54.13 55.76 2vwe s LEU 35 Cb -0.34 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.28 2vwe s LEU 35 CO 0.29 -1.29 -0.21 0.42 0.02 0.00 0.00 176.35 175.58 2vwe s THR 36 N 4.91 2.49 0.29 5.49 -4.23 -1.26 -4.92 115.64 118.41 2vwe s THR 36 Ca 0.57 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.43 2vwe s THR 36 Cb -0.13 -2.21 0.38 0.00 1.34 0.00 0.00 72.50 71.88 2vwe s THR 36 CO 0.29 -0.13 2.08 1.62 -0.54 0.00 0.00 174.62 177.94 2vwe h VAL 37 N 3.07 0.12 0.00 2.29 3.04 -1.91 0.77 116.25 123.64 2vwe h VAL 37 Ca -0.46 -0.44 -0.11 0.00 -1.01 0.00 0.00 66.70 64.69 2vwe h VAL 37 Cb 1.21 1.38 -0.02 0.00 -2.01 0.00 0.00 31.29 31.86 2vwe h VAL 37 CO 0.50 0.03 -0.51 -0.33 -1.01 0.00 0.00 177.57 176.25 2vwe h GLU 38 N 0.00 0.00 0.01 4.17 5.08 -1.96 -3.33 114.58 118.55 2vwe h GLU 38 Ca -0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 2vwe h GLU 38 Cb 0.38 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 2vwe h GLU 38 CO 0.00 0.51 -2.20 -0.11 -1.00 0.00 0.00 179.01 176.22 2vwe n LEU 39 N -3.40 2.17 -4.03 1.33 7.94 -0.85 -4.92 117.00 115.24 2vwe n LEU 39 Ca 0.01 0.27 -0.26 0.00 -1.11 0.00 0.00 56.01 54.91 2vwe n LEU 39 Cb 0.65 -0.90 -0.17 0.00 0.53 0.00 0.00 43.42 43.54 2vwe n LEU 39 CO 0.40 0.59 -0.48 0.00 -1.11 0.00 0.00 177.39 176.79 2vwe s MET 40 N -2.48 1.87 0.00 1.96 0.23 0.21 -5.03 119.30 116.06 2vwe s MET 40 Ca -0.35 -0.46 0.00 0.00 -1.03 0.00 0.00 55.69 53.86 2vwe s MET 40 Cb 0.11 -1.58 0.00 0.00 -1.53 0.00 0.00 34.83 31.83 2vwe s MET 40 CO 0.56 -0.01 0.00 0.41 -2.03 0.00 0.00 175.02 173.94 2vwe n GLY 41 N 4.00 -1.17 3.59 3.16 0.00 -1.25 -3.69 105.19 109.83 2vwe n GLY 41 Ca -0.21 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 2vwe n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vwe s THR 42 N 0.00 3.76 0.00 2.61 -4.23 -1.26 -4.67 115.64 111.86 2vwe s THR 42 Ca 0.00 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 2vwe s THR 42 Cb 0.00 -4.09 0.00 0.00 1.34 0.00 0.00 72.50 69.75 2vwe s THR 42 CO 0.00 -0.74 0.00 1.33 -0.54 0.00 0.00 174.62 174.67 2vwe n VAL 43 N 7.14 0.00 -3.60 2.29 0.24 -1.26 -5.11 118.33 118.03 2vwe n VAL 43 Ca 0.18 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.41 2vwe n VAL 43 Cb 0.48 -0.03 -0.02 0.00 -1.47 0.00 0.00 33.84 32.80 2vwe n VAL 43 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vwe s ALA 44 N -1.38 -1.72 0.21 2.33 0.00 -1.26 -4.71 121.76 115.23 2vwe s ALA 44 Ca 0.00 0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.57 2vwe s ALA 44 Cb 0.00 0.56 0.17 0.00 0.00 0.00 0.00 23.12 23.85 2vwe s ALA 44 CO 0.00 -0.84 1.51 0.87 0.00 0.00 0.00 175.76 177.30 2vwe h LYS 45 N 2.00 0.31 -3.63 0.00 1.57 -1.98 -3.44 116.57 111.40 2vwe h LYS 45 Ca -0.24 -0.23 -0.30 0.00 -1.87 0.00 0.00 60.65 58.01 2vwe h LYS 45 Cb 1.25 0.04 -0.33 0.00 0.08 0.00 0.00 32.23 33.27 2vwe h LYS 45 CO 0.29 0.85 -0.73 -1.14 -0.57 0.00 0.00 179.45 178.15 2vwe s GLN 46 N -3.71 0.06 -0.11 3.15 0.74 -1.26 -5.11 119.66 113.42 2vwe s GLN 46 Ca -0.05 0.11 -0.07 0.00 0.05 0.00 0.00 55.36 55.41 2vwe s GLN 46 Cb 0.11 -0.26 -0.04 0.00 1.10 0.00 0.00 33.01 33.92 2vwe s GLN 46 CO 0.82 -0.12 0.14 -0.51 -0.55 0.00 0.00 175.29 175.06 2vwe s LEU 47 N 0.82 4.37 -0.17 3.68 1.02 -1.26 -2.99 118.68 124.15 2vwe s LEU 47 Ca -0.07 0.45 0.01 0.00 0.02 0.00 0.00 54.13 54.54 2vwe s LEU 47 Cb -0.10 -2.10 0.02 0.00 0.02 0.00 0.00 46.19 44.02 2vwe s LEU 47 CO -0.02 0.40 -0.17 -0.69 0.02 0.00 0.00 176.35 175.89 2vwe s VAL 48 N -1.05 1.84 0.68 -1.59 1.01 -0.62 -1.98 120.40 118.69 2vwe s VAL 48 Ca 0.16 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 2vwe s VAL 48 Cb -0.12 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.57 2vwe s VAL 48 CO 0.05 0.47 1.08 -2.16 0.00 0.00 0.00 175.10 174.54 2vwe s PRO 49 N 1.37 2.81 0.00 2.72 0.04 -1.26 -2.01 135.00 138.67 2vwe s PRO 49 Ca 0.04 1.19 0.25 0.00 0.04 0.00 0.00 61.00 62.52 2vwe s PRO 49 Cb -0.13 -1.96 1.48 0.00 0.04 0.00 0.00 34.50 33.92 2vwe s PRO 49 CO -0.12 -1.22 1.85 -1.13 0.04 0.00 0.00 177.00 176.43 2vwe n SER 50 N -2.78 0.00 -3.71 6.66 3.41 -0.84 -4.74 113.62 111.63 2vwe n SER 50 Ca 0.09 -0.81 -0.13 0.00 -0.26 0.00 0.00 58.87 57.76 2vwe n SER 50 Cb 0.53 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 2vwe n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vwe s VAL 52 N -1.83 0.58 -0.11 0.00 -7.23 -0.77 -4.95 120.40 106.10 2vwe s VAL 52 Ca -0.10 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.10 2vwe s VAL 52 Cb -0.03 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 2vwe s VAL 52 CO 0.02 0.00 -0.19 0.42 -0.31 0.00 0.00 175.10 175.03 2vwe s THR 53 N -3.42 2.46 0.06 5.32 -4.23 -1.26 -0.36 115.64 114.20 2vwe s THR 53 Ca 0.32 -0.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.98 2vwe s THR 53 Cb 0.05 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.88 2vwe s THR 53 CO 0.16 0.54 -0.08 0.68 -0.54 0.00 0.00 174.62 175.38 2vwe s VAL 54 N 0.38 0.63 -0.43 2.29 -7.23 -0.91 -4.95 120.40 110.18 2vwe s VAL 54 Ca -0.15 -1.30 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 2vwe s VAL 54 Cb -0.17 -0.90 0.01 0.00 0.56 0.00 0.00 36.38 35.89 2vwe s VAL 54 CO 0.07 -0.48 1.37 -1.10 -0.31 0.00 0.00 175.10 174.65 2vwe s GLN 55 N -2.11 3.58 0.19 4.82 -1.52 -1.26 -1.70 119.66 121.66 2vwe s GLN 55 Ca -0.04 0.86 0.10 0.00 -1.95 0.00 0.00 55.36 54.33 2vwe s GLN 55 Cb -0.07 -4.02 -0.04 0.00 -0.22 0.00 0.00 33.01 28.67 2vwe s GLN 55 CO -0.01 -1.56 -0.21 1.03 -0.25 0.00 0.00 175.29 174.29 2vwe s ARG 56 N 4.91 1.44 -0.80 2.91 1.81 0.89 -1.61 118.95 128.50 2vwe s ARG 56 Ca 0.59 -1.51 -0.26 0.00 -1.72 0.00 0.00 55.73 52.83 2vwe s ARG 56 Cb -0.12 -1.63 0.03 0.00 -0.45 0.00 0.00 34.95 32.77 2vwe s ARG 56 CO 0.32 0.34 1.39 0.00 -0.68 0.00 0.00 175.30 176.68 2vwe s GLY 58 N 4.56 2.36 0.00 0.00 0.00 -1.11 -4.92 107.32 108.20 2vwe s GLY 58 Ca 0.42 -2.18 0.00 0.00 0.00 0.00 0.00 44.72 42.96 2vwe s GLY 58 CO 0.09 -2.01 0.00 0.61 0.00 0.00 0.00 173.10 171.79 2vwe n GLY 59 N -1.03 -0.71 3.17 0.20 0.00 -1.26 -2.99 105.19 102.57 2vwe n GLY 59 Ca -0.04 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 2vwe n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vwe h PRO 62 N 0.53 0.41 -6.77 0.00 0.11 -1.98 -3.43 132.00 120.88 2vwe h PRO 62 Ca -0.46 -0.04 -0.49 0.00 0.11 0.00 0.00 66.00 65.13 2vwe h PRO 62 Cb 1.19 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2vwe h PRO 62 CO 0.62 0.31 0.20 0.34 -0.21 0.00 0.00 178.00 179.26 2vwe s ASP 63 N -5.53 7.02 0.25 -2.05 2.15 -1.26 -4.99 116.67 112.25 2vwe s ASP 63 Ca -0.13 1.52 0.00 0.00 0.43 0.00 0.00 52.55 54.37 2vwe s ASP 63 Cb 0.09 -2.46 0.29 0.00 -0.30 0.00 0.00 42.92 40.55 2vwe s ASP 63 CO 0.71 -0.12 1.65 -0.78 -0.17 0.00 0.00 175.17 176.46 2vwe h ASP 64 N 2.78 0.56 -0.13 -0.34 3.58 -2.03 -2.97 116.42 117.87 2vwe h ASP 64 Ca -0.48 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 56.75 2vwe h ASP 64 Cb 1.19 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2vwe h ASP 64 CO 0.64 0.85 0.00 0.61 -2.88 0.00 0.00 179.24 178.46 2vwe n GLY 65 N -0.18 1.44 3.12 -0.78 0.00 -1.26 -4.77 105.19 102.77 2vwe n GLY 65 Ca -0.01 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2vwe n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vwe s LEU 66 N -0.65 2.15 0.12 0.99 1.02 -1.12 -2.22 118.68 118.97 2vwe s LEU 66 Ca 0.11 -0.65 -0.00 0.00 0.02 0.00 0.00 54.13 53.62 2vwe s LEU 66 Cb 0.08 -1.49 -0.04 0.00 0.02 0.00 0.00 46.19 44.76 2vwe s LEU 66 CO 0.04 -0.00 0.28 -1.83 0.02 0.00 0.00 176.35 174.86 2vwe s GLU 67 N 1.29 3.48 -0.50 1.70 -1.05 -0.78 -4.37 118.70 118.47 2vwe s GLU 67 Ca 0.05 -0.42 -0.19 0.00 -0.15 0.00 0.00 54.97 54.26 2vwe s GLU 67 Cb -0.13 -2.96 0.05 0.00 -0.44 0.00 0.00 34.13 30.65 2vwe s GLU 67 CO -0.13 0.53 0.63 0.00 0.95 0.00 0.00 175.26 177.25 2vwe s VAL 69 N 2.68 0.96 0.38 0.00 -7.23 -1.08 -4.97 120.40 111.14 2vwe s VAL 69 Ca 0.16 -0.86 -0.27 0.00 -1.81 0.00 0.00 61.98 59.21 2vwe s VAL 69 Cb -0.18 -0.87 -0.09 0.00 0.56 0.00 0.00 36.38 35.80 2vwe s VAL 69 CO 0.13 0.02 1.28 -2.16 -0.31 0.00 0.00 175.10 174.05 2vwe s PRO 70 N -0.95 4.11 -0.14 4.82 0.04 -1.26 -1.46 135.00 140.17 2vwe s PRO 70 Ca 0.01 2.11 -0.21 0.00 0.04 0.00 0.00 61.00 62.95 2vwe s PRO 70 Cb -0.07 -2.85 -0.18 0.00 0.04 0.00 0.00 34.50 31.44 2vwe s PRO 70 CO 0.01 -0.35 0.51 1.79 0.04 0.00 0.00 177.00 178.99 2vwe h THR 71 N 2.63 1.24 -3.44 1.26 1.35 -0.66 -3.46 112.91 111.84 2vwe h THR 71 Ca -0.49 -1.97 -0.13 0.00 -0.55 0.00 0.00 66.41 63.27 2vwe h THR 71 Cb 1.24 2.38 -0.19 0.00 -1.73 0.00 0.00 68.15 69.84 2vwe h THR 71 CO 0.63 0.42 -0.42 -0.83 -0.25 0.00 0.00 175.52 175.08 2vwe s GLY 72 N -4.11 0.00 0.03 5.82 0.00 -1.24 -5.03 107.32 102.79 2vwe s GLY 72 Ca -0.15 -0.10 0.03 0.00 0.00 0.00 0.00 44.72 44.50 2vwe s GLY 72 CO 0.50 -0.26 -0.09 -0.86 0.00 0.00 0.00 173.10 172.39 2vwe s GLN 73 N -1.78 0.59 -0.07 2.90 0.00 -1.26 -0.91 119.66 119.13 2vwe s GLN 73 Ca -0.11 -0.64 0.02 0.00 -0.00 0.00 0.00 55.36 54.63 2vwe s GLN 73 Cb -0.05 -0.47 0.01 0.00 0.00 0.00 0.00 33.01 32.51 2vwe s GLN 73 CO 0.00 0.10 -0.13 -3.38 0.00 0.00 0.00 175.29 171.88 2vwe s HIS 74 N -0.99 1.58 -0.23 9.60 -3.43 0.10 -4.92 115.29 117.00 2vwe s HIS 74 Ca -0.05 -0.59 -0.27 0.00 -0.80 0.00 0.00 55.06 53.35 2vwe s HIS 74 Cb -0.08 -1.14 0.00 0.00 -1.43 0.00 0.00 32.58 29.94 2vwe s HIS 74 CO 0.01 -0.29 0.95 -0.65 -2.00 0.00 0.00 174.74 172.75 2vwe s GLN 75 N 0.63 4.24 0.07 -0.38 -0.21 -1.26 -2.33 119.66 120.42 2vwe s GLN 75 Ca -0.15 1.19 0.02 0.00 0.02 0.00 0.00 55.36 56.44 2vwe s GLN 75 Cb -0.16 -3.63 -0.04 0.00 1.00 0.00 0.00 33.01 30.18 2vwe s GLN 75 CO 0.04 -0.56 0.13 0.14 -2.12 0.00 0.00 175.29 172.92 2vwe s VAL 76 N 2.96 4.84 -0.09 1.09 -7.23 -0.37 -4.92 120.40 116.68 2vwe s VAL 76 Ca 0.41 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.95 2vwe s VAL 76 Cb -0.15 -3.34 -0.03 0.00 0.56 0.00 0.00 36.38 33.41 2vwe s VAL 76 CO 0.07 0.13 -0.07 0.00 -0.31 0.00 0.00 175.10 174.92 2vwe s ARG 77 N -2.42 2.94 0.04 4.82 1.70 -1.26 -0.83 118.95 123.94 2vwe s ARG 77 Ca 0.31 -0.56 0.08 0.00 -0.47 0.00 0.00 55.73 55.08 2vwe s ARG 77 Cb -0.12 -2.63 -0.03 0.00 -0.57 0.00 0.00 34.95 31.60 2vwe s ARG 77 CO 0.24 0.55 -0.22 -1.64 -1.08 0.00 0.00 175.30 173.16 2vwe s MET 78 N -0.51 1.45 -0.11 3.89 -1.94 0.15 -4.97 119.30 117.25 2vwe s MET 78 Ca 0.08 -0.97 -0.30 0.00 -1.71 0.00 0.00 55.69 52.79 2vwe s MET 78 Cb -0.12 -1.58 -0.01 0.00 2.01 0.00 0.00 34.83 35.13 2vwe s MET 78 CO 0.02 0.40 1.07 -1.14 -0.01 0.00 0.00 175.02 175.37 2vwe s GLN 79 N -1.18 4.37 -0.03 2.03 0.74 -1.26 -1.18 119.66 123.15 2vwe s GLN 79 Ca 0.08 1.47 0.02 0.00 0.05 0.00 0.00 55.36 56.98 2vwe s GLN 79 Cb -0.09 -3.57 0.01 0.00 1.10 0.00 0.00 33.01 30.46 2vwe s GLN 79 CO 0.02 -0.41 -0.07 0.42 -0.55 0.00 0.00 175.29 174.69 2vwe s ILE 80 N 2.31 0.65 -0.33 -2.34 -1.09 -0.46 -4.96 121.20 114.98 2vwe s ILE 80 Ca 0.50 -0.27 -0.29 0.00 -2.23 0.00 0.00 60.65 58.36 2vwe s ILE 80 Cb -0.20 -0.60 0.00 0.00 -1.58 0.00 0.00 42.46 40.09 2vwe s ILE 80 CO 0.17 0.22 1.33 -0.22 -1.23 0.00 0.00 174.94 175.21 2vwe s LEU 81 N 0.34 3.80 -0.44 2.97 2.96 -0.85 -0.13 118.68 127.33 2vwe s LEU 81 Ca -0.05 1.11 -0.17 0.00 -0.22 0.00 0.00 54.13 54.79 2vwe s LEU 81 Cb -0.09 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.09 2vwe s LEU 81 CO 0.00 -1.17 0.47 -0.04 -1.32 0.00 0.00 176.35 174.29 2vwe s MET 82 N 4.37 3.09 -0.92 1.98 -1.94 0.79 -1.59 119.30 125.09 2vwe s MET 82 Ca 0.57 -0.82 -0.24 0.00 -1.71 0.00 0.00 55.69 53.49 2vwe s MET 82 Cb -0.16 -4.00 0.00 0.00 2.01 0.00 0.00 34.83 32.68 2vwe s MET 82 CO 0.26 -0.93 1.67 0.42 -0.01 0.00 0.00 175.02 176.43 2vwe s ILE 83 N 2.18 3.67 -0.12 2.53 1.01 -1.16 -1.95 121.20 127.35 2vwe s ILE 83 Ca 0.12 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 2vwe s ILE 83 Cb -0.18 -4.53 -0.03 0.00 0.01 0.00 0.00 42.46 37.74 2vwe s ILE 83 CO 0.13 -1.44 -0.04 -0.60 0.00 0.00 0.00 174.94 172.99 2vwe s ARG 84 N 6.04 3.28 0.17 2.79 3.52 -1.26 -3.69 118.95 129.80 2vwe s ARG 84 Ca 0.57 -0.51 0.24 0.00 -0.13 0.00 0.00 55.73 55.90 2vwe s ARG 84 Cb -0.04 -2.80 0.31 0.00 -1.56 0.00 0.00 34.95 30.86 2vwe s ARG 84 CO -0.02 0.45 1.32 1.88 -0.81 0.00 0.00 175.30 178.12 2vwe h TYR 85 N 5.99 0.00 0.10 5.12 0.99 -1.97 0.42 116.97 127.63 2vwe h TYR 85 Ca -0.40 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.33 2vwe h TYR 85 Cb 1.19 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.92 2vwe h TYR 85 CO 0.56 0.00 -0.05 -1.35 -0.00 0.00 0.00 178.16 177.32 2vwe h PRO 86 N 0.00 -0.13 -1.65 4.88 0.11 -2.01 -3.45 132.00 129.74 2vwe h PRO 86 Ca 0.00 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.19 2vwe h PRO 86 Cb 0.81 0.03 -0.21 0.00 0.11 0.00 0.00 31.00 31.74 2vwe h PRO 86 CO 0.00 0.34 -0.19 0.45 -0.21 0.00 0.00 178.00 178.39 2vwe s SER 87 N -5.55 -1.19 0.18 -2.05 0.15 -1.18 -5.14 113.70 98.91 2vwe s SER 87 Ca -0.15 1.29 -0.31 0.00 0.70 0.00 0.00 55.95 57.48 2vwe s SER 87 Cb 0.01 2.21 -0.10 0.00 -1.71 0.00 0.00 66.02 66.43 2vwe s SER 87 CO 0.59 -0.24 1.52 -0.55 1.20 0.00 0.00 173.24 175.77 2vwe s SER 88 N 2.87 6.62 0.03 5.45 0.15 0.13 -4.47 113.70 124.49 2vwe s SER 88 Ca 0.04 2.61 0.02 0.00 0.70 0.00 0.00 55.95 59.32 2vwe s SER 88 Cb -0.13 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.56 2vwe s SER 88 CO -0.19 -0.78 -0.08 0.00 1.20 0.00 0.00 173.24 173.39 2vwe s GLN 89 N 0.77 0.52 -0.70 5.44 -2.07 -0.82 -4.90 119.66 117.91 2vwe s GLN 89 Ca 0.67 -0.66 -0.21 0.00 -1.82 0.00 0.00 55.36 53.34 2vwe s GLN 89 Cb -0.43 -0.34 0.09 0.00 -1.09 0.00 0.00 33.01 31.24 2vwe s GLN 89 CO 0.34 0.07 0.94 -1.17 -1.32 0.00 0.00 175.29 174.15 2vwe s LEU 90 N -1.31 4.74 0.00 2.60 2.96 -1.26 -0.15 118.68 126.26 2vwe s LEU 90 Ca -0.07 -1.30 0.00 0.00 -0.22 0.00 0.00 54.13 52.54 2vwe s LEU 90 Cb -0.09 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.22 2vwe s LEU 90 CO 0.00 -1.30 0.00 0.61 -1.32 0.00 0.00 176.35 174.35 2vwe n GLY 91 N 5.34 2.01 2.91 7.98 0.00 0.81 -4.85 105.19 119.39 2vwe n GLY 91 Ca 0.00 -1.95 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 2vwe n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2vwe s GLU 92 N 3.58 0.27 0.18 1.61 2.12 -1.26 -1.35 118.70 123.86 2vwe s GLU 92 Ca 0.00 -0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.26 2vwe s GLU 92 Cb 0.00 -0.30 -0.05 0.00 0.26 0.00 0.00 34.13 34.05 2vwe s GLU 92 CO 0.00 0.03 0.04 0.00 -0.54 0.00 0.00 175.26 174.79 2vwe s MET 93 N 0.12 1.13 0.07 4.30 0.23 -0.33 -4.92 119.30 119.91 2vwe s MET 93 Ca -0.01 -1.56 0.05 0.00 -1.03 0.00 0.00 55.69 53.14 2vwe s MET 93 Cb -0.04 -0.13 -0.03 0.00 -1.53 0.00 0.00 34.83 33.11 2vwe s MET 93 CO -0.00 -0.20 -0.15 -1.54 -2.03 0.00 0.00 175.02 171.09 2vwe s SER 94 N -3.17 1.79 0.02 -1.18 1.04 -1.26 0.29 113.70 111.23 2vwe s SER 94 Ca 0.27 -0.59 -0.05 0.00 0.48 0.00 0.00 55.95 56.07 2vwe s SER 94 Cb 0.07 -0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 2vwe s SER 94 CO 0.06 -0.03 0.07 -0.76 0.98 0.00 0.00 173.24 173.56 2vwe s LEU 95 N -1.64 1.84 0.06 2.42 1.43 -0.01 -4.99 118.68 117.79 2vwe s LEU 95 Ca -0.00 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.42 2vwe s LEU 95 Cb -0.10 0.47 -0.05 0.00 0.03 0.00 0.00 46.19 46.55 2vwe s LEU 95 CO 0.02 -0.38 1.06 -0.70 0.23 0.00 0.00 176.35 176.58 2vwe s GLU 96 N -1.69 4.55 -0.04 1.70 2.12 -1.26 -1.24 118.70 122.84 2vwe s GLU 96 Ca -0.13 1.57 0.02 0.00 0.36 0.00 0.00 54.97 56.79 2vwe s GLU 96 Cb -0.07 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.95 2vwe s GLU 96 CO -0.01 -0.04 -0.07 -2.00 -0.54 0.00 0.00 175.26 172.60 2vwe s GLU 97 N 0.63 0.98 0.49 4.30 2.12 -0.99 -4.92 118.70 121.31 2vwe s GLU 97 Ca 0.53 -0.22 -0.19 0.00 0.36 0.00 0.00 54.97 55.45 2vwe s GLU 97 Cb -0.25 -0.91 -0.09 0.00 0.26 0.00 0.00 34.13 33.14 2vwe s GLU 97 CO 0.30 0.01 0.99 -1.01 -0.54 0.00 0.00 175.26 175.01 2vwe s HIS 98 N 0.56 3.28 -0.24 5.30 3.76 -0.63 0.00 115.29 127.32 2vwe s HIS 98 Ca -0.09 1.54 -0.12 0.00 -0.15 0.00 0.00 55.06 56.25 2vwe s HIS 98 Cb -0.12 -2.88 -0.10 0.00 1.11 0.00 0.00 32.58 30.59 2vwe s HIS 98 CO 0.01 -0.42 -0.31 0.43 -0.85 0.00 0.00 174.74 173.60 2vwe n SER 99 N -1.17 1.69 -3.80 1.40 7.64 -0.09 -4.79 113.62 114.51 2vwe n SER 99 Ca 0.07 0.29 -0.11 0.00 1.01 0.00 0.00 58.87 60.14 2vwe n SER 99 Cb 0.54 -0.70 -0.08 0.00 -1.01 0.00 0.00 64.21 62.95 2vwe n SER 99 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2vwe s GLN 100 N -2.44 0.76 0.22 1.43 0.74 -1.23 -4.84 119.66 114.30 2vwe s GLN 100 Ca -0.33 -0.58 0.09 0.00 0.05 0.00 0.00 55.36 54.58 2vwe s GLN 100 Cb 0.13 0.32 -0.05 0.00 1.10 0.00 0.00 33.01 34.51 2vwe s GLN 100 CO 0.42 -0.24 -0.17 0.00 -0.55 0.00 0.00 175.29 174.76 2vwe s GLU 102 N -3.47 0.84 -0.27 0.00 -1.05 -0.53 -4.80 118.70 109.41 2vwe s GLU 102 Ca 0.23 -1.21 -0.09 0.00 -0.15 0.00 0.00 54.97 53.75 2vwe s GLU 102 Cb -0.03 0.28 -0.04 0.00 -0.44 0.00 0.00 34.13 33.90 2vwe s GLU 102 CO 0.09 -0.24 0.14 0.00 0.95 0.00 0.00 175.26 176.20 2vwe s ARG 104 N 1.70 1.81 0.52 0.00 0.52 -1.13 -4.91 118.95 117.46 2vwe s ARG 104 Ca 0.07 -1.27 -0.22 0.00 -0.52 0.00 0.00 55.73 53.79 2vwe s ARG 104 Cb -0.16 -2.08 -0.06 0.00 0.52 0.00 0.00 34.95 33.18 2vwe s ARG 104 CO 0.08 0.45 1.28 -2.14 0.02 0.00 0.00 175.30 174.99 2vwe s PRO 105 N -2.43 3.35 0.38 3.54 0.02 -1.26 -1.86 135.00 136.74 2vwe s PRO 105 Ca 0.20 2.04 0.01 0.00 0.02 0.00 0.00 61.00 63.27 2vwe s PRO 105 Cb -0.10 -2.28 -0.02 0.00 0.02 0.00 0.00 34.50 32.12 2vwe s PRO 105 CO 0.11 -0.96 0.58 0.15 -0.33 0.00 0.00 177.00 176.55 2vwe s LYS 106 N -2.86 3.30 -0.05 5.54 1.02 -0.94 -4.88 119.74 120.86 2vwe s LYS 106 Ca 0.69 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.22 2vwe s LYS 106 Cb -0.35 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.28 2vwe s LYS 106 CO 0.42 0.00 -0.05 0.36 -0.92 0.00 0.00 175.35 175.16 2vwe n LYS 107 N -1.87 0.13 0.00 1.68 -0.00 -1.26 -5.09 118.16 111.75 2vwe n LYS 107 Ca -0.02 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 2vwe n LYS 107 Cb 0.57 -1.08 0.00 0.00 -0.00 0.00 0.00 35.03 34.52 2vwe n LYS 107 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76