#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5n s SER 2 N 0.00 -0.14 0.28 1.61 1.04 -1.26 -5.19 113.70 110.05 1v5n s SER 2 Ca 0.00 -0.80 -0.19 0.00 0.48 0.00 0.00 55.95 55.43 1v5n s SER 2 Cb 0.00 0.69 0.06 0.00 0.10 0.00 0.00 66.02 66.86 1v5n s SER 2 CO 0.00 -1.30 0.87 -0.94 0.98 0.00 0.00 173.24 172.85 1v5n s SER 3 N -2.98 -0.05 0.08 7.02 1.04 -1.26 -5.19 113.70 112.36 1v5n s SER 3 Ca 0.16 -0.85 -0.05 0.00 0.48 0.00 0.00 55.95 55.70 1v5n s SER 3 Cb -0.04 0.69 -0.02 0.00 0.10 0.00 0.00 66.02 66.75 1v5n s SER 3 CO 0.09 -1.35 0.09 -0.83 0.98 0.00 0.00 173.24 172.22 1v5n s GLY 4 N -3.13 0.31 -0.11 7.32 0.00 -1.26 -5.17 107.32 105.28 1v5n s GLY 4 Ca 0.16 -0.92 -0.09 0.00 0.00 0.00 0.00 44.72 43.87 1v5n s GLY 4 CO 0.08 -1.05 0.28 -1.35 0.00 0.00 0.00 173.10 171.05 1v5n s SER 5 N -2.90 -0.29 0.10 1.64 1.04 -1.26 -5.17 113.70 106.86 1v5n s SER 5 Ca 0.07 0.57 0.04 0.00 0.48 0.00 0.00 55.95 57.11 1v5n s SER 5 Cb 0.06 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 1v5n s SER 5 CO -0.10 -0.11 -0.10 -0.44 0.98 0.00 0.00 173.24 173.48 1v5n s SER 6 N 0.27 1.50 0.00 7.02 0.01 -1.26 -5.16 113.70 116.09 1v5n s SER 6 Ca -0.01 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.40 1v5n s SER 6 Cb -0.03 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1v5n s SER 6 CO -0.01 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1v5n n GLY 7 N 0.42 -2.92 0.11 3.44 0.00 -1.26 -4.99 105.19 99.99 1v5n n GLY 7 Ca -0.15 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 1v5n n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1v5n n THR 8 N 0.00 1.51 -3.56 2.61 -1.04 -1.26 -5.05 114.28 107.50 1v5n n THR 8 Ca 0.00 -0.11 -0.17 0.00 -2.04 0.00 0.00 64.05 61.73 1v5n n THR 8 Cb 0.00 -2.06 -0.06 0.00 -1.82 0.00 0.00 70.33 66.39 1v5n n THR 8 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1v5n s GLU 9 N -2.46 1.01 -0.04 -2.82 2.02 -1.26 -5.08 118.70 110.07 1v5n s GLU 9 Ca -0.31 0.13 -0.03 0.00 0.02 0.00 0.00 54.97 54.78 1v5n s GLU 9 Cb 0.08 0.47 -0.01 0.00 0.10 0.00 0.00 34.13 34.77 1v5n s GLU 9 CO 0.49 -0.32 -0.07 0.39 0.02 0.00 0.00 175.26 175.78 1v5n n GLU 10 N 0.88 0.13 -0.00 1.61 1.02 -1.26 -4.82 120.64 118.19 1v5n n GLU 10 Ca -0.19 0.21 0.03 0.00 -0.02 0.00 0.00 57.16 57.18 1v5n n GLU 10 Cb 0.57 -0.89 -0.04 0.00 -0.02 0.00 0.00 31.44 31.07 1v5n n GLU 10 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1v5n n ARG 11 N -2.93 1.45 -1.95 3.49 1.74 -1.26 -4.97 116.66 112.23 1v5n n ARG 11 Ca -0.03 -0.04 -0.02 0.00 -0.77 0.00 0.00 57.85 56.99 1v5n n ARG 11 Cb 0.10 -1.04 -0.00 0.00 -1.02 0.00 0.00 32.46 30.49 1v5n n ARG 11 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1v5n n LEU 12 N -1.56 -0.05 -0.18 0.55 -0.00 -1.26 -4.72 117.00 109.78 1v5n n LEU 12 Ca -0.01 0.23 -0.08 0.00 -0.00 0.00 0.00 56.01 56.16 1v5n n LEU 12 Cb 0.14 -0.69 -0.06 0.00 -0.00 0.00 0.00 43.42 42.81 1v5n n LEU 12 CO 0.12 0.01 0.49 0.11 -0.00 0.00 0.00 177.39 178.12 1v5n h LYS 13 N -0.05 -0.11 -0.26 1.47 1.79 -2.01 -1.75 116.57 115.64 1v5n h LYS 13 Ca -0.03 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.48 1v5n h LYS 13 Cb 0.68 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.28 1v5n h LYS 13 CO 0.05 -0.07 -0.55 1.49 -1.08 0.00 0.00 179.45 179.29 1v5n h GLU 14 N -0.12 -0.48 -0.79 3.15 4.81 -2.02 -1.53 114.58 117.61 1v5n h GLU 14 Ca 0.08 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.48 1v5n h GLU 14 Cb 0.31 0.11 -0.14 0.00 0.63 0.00 0.00 28.75 29.66 1v5n h GLU 14 CO -0.49 -0.32 -0.26 -0.89 -0.73 0.00 0.00 179.01 176.32 1v5n n ILE 15 N -5.41 -0.38 -0.24 2.32 -0.00 -0.72 0.52 119.36 115.45 1v5n n ILE 15 Ca -0.05 1.84 -0.05 0.00 -0.00 0.00 0.00 62.75 64.49 1v5n n ILE 15 Cb 0.36 -2.48 0.01 0.00 -0.00 0.00 0.00 39.64 37.53 1v5n n ILE 15 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 1v5n h GLU 16 N 0.00 -0.13 -0.98 0.38 5.08 -0.65 0.33 114.58 118.61 1v5n h GLU 16 Ca 0.32 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.84 1v5n h GLU 16 Cb 0.52 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.71 1v5n h GLU 16 CO -0.80 -0.09 0.60 0.00 -1.00 0.00 0.00 179.01 177.72 1v5n h ALA 17 N 1.03 1.53 -0.79 3.43 0.00 0.08 -0.80 119.26 123.74 1v5n h ALA 17 Ca 0.25 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.32 1v5n h ALA 17 Cb 0.56 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 1v5n h ALA 17 CO -0.75 0.09 0.40 0.87 0.00 0.00 0.00 179.25 179.87 1v5n h LYS 18 N 0.87 0.62 -0.27 0.00 1.79 -0.01 -1.78 116.57 117.78 1v5n h LYS 18 Ca 0.52 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.94 1v5n h LYS 18 Cb 0.64 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1v5n h LYS 18 CO -0.32 0.41 0.13 1.88 -1.08 0.00 0.00 179.45 180.47 1v5n h TYR 19 N 0.64 0.39 -1.03 -1.35 0.05 -0.78 -2.66 116.97 112.24 1v5n h TYR 19 Ca 0.40 -0.02 0.29 0.00 0.05 0.00 0.00 58.73 59.45 1v5n h TYR 19 Cb 0.49 -0.12 -0.13 0.00 1.01 0.00 0.00 36.73 37.98 1v5n h TYR 19 CO -0.10 0.37 0.62 -0.44 -1.05 0.00 0.00 178.16 177.56 1v5n h ASP 20 N 0.31 0.56 -0.57 3.88 3.32 -1.07 0.70 116.42 123.54 1v5n h ASP 20 Ca 0.09 0.15 0.13 0.00 0.02 0.00 0.00 57.03 57.42 1v5n h ASP 20 Cb 0.12 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1v5n h ASP 20 CO -0.01 0.00 0.40 -0.08 -1.72 0.00 0.00 179.24 177.83 1v5n h GLU 21 N 0.43 0.21 -0.00 3.56 4.81 -1.27 0.72 114.58 123.04 1v5n h GLU 21 Ca 0.68 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.71 1v5n h GLU 21 Cb 1.51 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.82 1v5n h GLU 21 CO -0.49 0.14 -0.83 0.82 -0.73 0.00 0.00 179.01 177.92 1v5n h ILE 22 N 0.21 1.51 -0.83 2.32 2.04 0.33 -3.21 117.51 119.89 1v5n h ILE 22 Ca 0.27 -2.61 -0.49 0.00 1.00 0.00 0.00 64.86 63.04 1v5n h ILE 22 Cb 0.79 2.43 -0.27 0.00 -0.74 0.00 0.00 36.82 39.03 1v5n h ILE 22 CO -0.05 0.75 0.41 0.00 0.00 0.00 0.00 178.15 179.27 1v5n n ALA 23 N -2.44 5.48 -0.24 1.87 0.00 0.12 -4.64 120.51 120.67 1v5n n ALA 23 Ca -0.02 -3.21 -0.06 0.00 0.00 0.00 0.00 53.44 50.14 1v5n n ALA 23 Cb 0.78 -1.28 0.04 0.00 0.00 0.00 0.00 19.45 19.00 1v5n n ALA 23 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1v5n h LYS 24 N 1.40 0.94 0.01 0.00 1.57 -1.23 -3.06 116.57 116.20 1v5n h LYS 24 Ca 0.51 -0.12 -0.29 0.00 -1.87 0.00 0.00 60.65 58.88 1v5n h LYS 24 Cb 1.88 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.96 1v5n h LYS 24 CO 1.05 0.72 -1.67 -0.44 -0.57 0.00 0.00 179.45 178.55 1v5n h ASP 25 N 0.92 0.04 -1.88 0.86 3.32 -1.88 -3.47 116.42 114.33 1v5n h ASP 25 Ca 0.23 -0.08 -0.65 0.00 0.02 0.00 0.00 57.03 56.55 1v5n h ASP 25 Cb 0.06 -0.01 0.04 0.00 0.22 0.00 0.00 39.33 39.63 1v5n h ASP 25 CO -0.04 1.07 0.82 0.79 -1.72 0.00 0.00 179.24 180.17 1v5n n TRP 26 N -3.11 2.05 -2.26 4.55 7.02 -1.16 -4.92 117.44 119.61 1v5n n TRP 26 Ca -0.16 0.35 -0.36 0.00 -1.02 0.00 0.00 57.50 56.30 1v5n n TRP 26 Cb 1.04 -2.50 -0.01 0.00 -2.42 0.00 0.00 31.31 27.42 1v5n n TRP 26 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1v5n s PRO 27 N 2.30 3.62 0.27 -0.99 0.04 -1.26 -4.95 135.00 134.04 1v5n s PRO 27 Ca 0.89 1.72 -0.03 0.00 0.04 0.00 0.00 61.00 63.61 1v5n s PRO 27 Cb -0.85 -2.27 0.36 0.00 0.04 0.00 0.00 34.50 31.79 1v5n s PRO 27 CO 0.51 -0.65 1.90 0.87 0.04 0.00 0.00 177.00 179.66 1v5n h LYS 28 N 1.75 1.07 -4.18 4.56 1.79 -1.95 -3.42 116.57 116.19 1v5n h LYS 28 Ca -0.50 -0.12 -0.44 0.00 -2.18 0.00 0.00 60.65 57.41 1v5n h LYS 28 Cb 1.25 -0.21 -0.34 0.00 -1.58 0.00 0.00 32.23 31.35 1v5n h LYS 28 CO 0.59 0.79 -0.79 0.15 -1.08 0.00 0.00 179.45 179.11 1v5n s LYS 29 N -5.71 1.10 0.15 3.15 1.02 -1.26 -0.88 119.74 117.31 1v5n s LYS 29 Ca -0.11 -0.20 0.11 0.00 0.02 0.00 0.00 55.97 55.79 1v5n s LYS 29 Cb 0.17 -1.03 -0.04 0.00 -0.52 0.00 0.00 37.83 36.41 1v5n s LYS 29 CO 0.81 -0.06 -0.25 0.54 -0.92 0.00 0.00 175.35 175.47 1v5n s VAL 30 N 0.89 2.35 -0.85 3.17 0.11 -0.97 -4.90 120.40 120.20 1v5n s VAL 30 Ca -0.11 -1.82 -0.09 0.00 -2.93 0.00 0.00 61.98 57.03 1v5n s VAL 30 Cb -0.15 -2.07 0.22 0.00 -1.53 0.00 0.00 36.38 32.85 1v5n s VAL 30 CO 0.01 0.03 0.76 -0.75 -3.33 0.00 0.00 175.10 171.82 1v5n s LYS 31 N -2.26 3.45 0.64 1.54 2.20 -1.26 0.94 119.74 124.99 1v5n s LYS 31 Ca 0.17 -2.73 -0.18 0.00 -0.36 0.00 0.00 55.97 52.87 1v5n s LYS 31 Cb -0.09 -4.24 -0.01 0.00 -1.51 0.00 0.00 37.83 31.98 1v5n s LYS 31 CO 0.08 -1.25 1.22 -1.58 -0.36 0.00 0.00 175.35 173.46 1v5n s HIS 32 N -0.36 2.25 -0.01 4.03 5.65 -1.26 -4.77 115.29 120.82 1v5n s HIS 32 Ca 0.21 1.53 -0.25 0.00 0.25 0.00 0.00 55.06 56.80 1v5n s HIS 32 Cb -0.12 -3.51 -0.19 0.00 -1.18 0.00 0.00 32.58 27.58 1v5n s HIS 32 CO -0.08 -2.44 1.32 -0.24 -0.65 0.00 0.00 174.74 172.65 1v5n h VAL 33 N 0.50 1.28 0.00 0.89 3.04 -1.95 1.71 116.25 121.71 1v5n h VAL 33 Ca -0.50 -0.96 -0.02 0.00 -1.01 0.00 0.00 66.70 64.21 1v5n h VAL 33 Cb 1.30 1.92 -0.00 0.00 -2.01 0.00 0.00 31.29 32.51 1v5n h VAL 33 CO 0.53 0.25 -0.08 -0.07 -1.01 0.00 0.00 177.57 177.19 1v5n h LEU 34 N -0.45 0.00 -2.97 3.16 3.38 -2.01 -2.33 115.31 114.09 1v5n h LEU 34 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1v5n h LEU 34 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1v5n h LEU 34 CO 0.01 0.08 -0.32 1.57 0.09 0.00 0.00 178.44 179.87 1v5n n HIS 35 N -3.87 0.00 -0.61 1.13 -0.00 -1.14 -4.80 115.22 105.92 1v5n n HIS 35 Ca -0.02 -1.22 0.48 0.00 0.46 0.00 0.00 57.72 57.42 1v5n n HIS 35 Cb 0.18 -0.20 0.78 0.00 -0.12 0.00 0.00 29.99 30.62 1v5n n HIS 35 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 1v5n h GLU 36 N 0.57 0.01 -0.96 1.57 9.09 0.32 0.45 114.58 125.62 1v5n h GLU 36 Ca -0.01 -0.00 0.22 0.00 0.05 0.00 0.00 59.36 59.62 1v5n h GLU 36 Cb 1.05 -0.00 -0.18 0.00 -1.65 0.00 0.00 28.75 27.96 1v5n h GLU 36 CO 0.00 0.01 -0.14 0.39 0.05 0.00 0.00 179.01 179.32 1v5n n GLU 37 N -4.17 -0.08 -3.92 1.06 -0.58 -1.26 -4.50 120.64 107.18 1v5n n GLU 37 Ca 0.41 1.48 -0.10 0.00 -0.42 0.00 0.00 57.16 58.53 1v5n n GLU 37 Cb 1.81 -2.27 -0.11 0.00 -0.57 0.00 0.00 31.44 30.31 1v5n n GLU 37 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1v5n s HIS 38 N -6.12 0.12 -0.38 -0.32 3.76 0.15 -5.12 115.29 107.38 1v5n s HIS 38 Ca -0.14 -0.26 -0.28 0.00 -0.15 0.00 0.00 55.06 54.23 1v5n s HIS 38 Cb 0.27 -0.10 0.02 0.00 1.11 0.00 0.00 32.58 33.88 1v5n s HIS 38 CO 0.75 -0.19 1.05 -1.21 -0.85 0.00 0.00 174.74 174.29 1v5n s GLU 39 N -1.15 3.90 1.10 1.40 8.01 -1.26 -4.51 118.70 126.18 1v5n s GLU 39 Ca -0.12 0.78 -0.19 0.00 0.01 0.00 0.00 54.97 55.44 1v5n s GLU 39 Cb -0.07 -3.81 0.09 0.00 -4.31 0.00 0.00 34.13 26.03 1v5n s GLU 39 CO 0.00 -1.07 -0.09 1.28 0.01 0.00 0.00 175.26 175.40 1v5n n LEU 40 N 7.15 -2.20 -3.76 1.80 7.99 0.27 -4.52 117.00 123.73 1v5n n LEU 40 Ca 0.11 -0.18 -0.30 0.00 -0.01 0.00 0.00 56.01 55.63 1v5n n LEU 40 Cb 0.48 -0.87 -0.15 0.00 -0.11 0.00 0.00 43.42 42.77 1v5n n LEU 40 CO 0.63 -3.06 -0.34 -0.70 -1.51 0.00 0.00 177.39 172.41 1v5n s GLU 41 N -3.32 0.79 -0.76 3.23 2.12 0.11 -2.28 118.70 118.58 1v5n s GLU 41 Ca 0.50 -1.05 -0.35 0.00 0.36 0.00 0.00 54.97 54.44 1v5n s GLU 41 Cb -0.08 -2.09 -0.20 0.00 0.26 0.00 0.00 34.13 32.02 1v5n s GLU 41 CO 0.59 -0.93 2.36 -0.11 -0.54 0.00 0.00 175.26 176.63 1v5n n LEU 42 N 4.83 0.46 -4.43 2.70 7.94 -0.06 -2.24 117.00 126.20 1v5n n LEU 42 Ca -0.03 0.37 -0.32 0.00 -1.11 0.00 0.00 56.01 54.92 1v5n n LEU 42 Cb 0.43 -0.87 -0.14 0.00 0.53 0.00 0.00 43.42 43.37 1v5n n LEU 42 CO 0.12 -0.71 -0.48 -0.89 -1.11 0.00 0.00 177.39 174.33 1v5n s THR 43 N 7.42 2.86 0.01 1.96 2.01 0.11 -4.87 115.64 125.14 1v5n s THR 43 Ca 1.24 -0.79 -0.30 0.00 0.31 0.00 0.00 61.69 62.15 1v5n s THR 43 Cb -1.30 -2.11 -0.07 0.00 0.01 0.00 0.00 72.50 69.03 1v5n s THR 43 CO 0.54 0.58 1.66 -0.13 -0.69 0.00 0.00 174.62 176.57 1v5n s ARG 44 N -0.52 4.19 -0.03 4.92 1.81 -1.26 -2.27 118.95 125.79 1v5n s ARG 44 Ca 0.07 2.26 -0.01 0.00 -1.72 0.00 0.00 55.73 56.33 1v5n s ARG 44 Cb -0.12 -3.81 0.02 0.00 -0.45 0.00 0.00 34.95 30.60 1v5n s ARG 44 CO 0.01 -0.79 0.06 0.08 -0.68 0.00 0.00 175.30 173.99 1v5n s VAL 45 N 3.37 -0.03 0.01 3.52 1.01 -1.26 -4.92 120.40 122.09 1v5n s VAL 45 Ca 0.74 0.12 -0.25 0.00 0.00 0.00 0.00 61.98 62.59 1v5n s VAL 45 Cb -0.36 -0.11 -0.18 0.00 0.00 0.00 0.00 36.38 35.72 1v5n s VAL 45 CO 0.31 0.05 1.40 -0.61 0.00 0.00 0.00 175.10 176.25 1v5n h GLN 46 N 6.80 -0.06 -2.83 2.72 4.15 -1.94 0.45 115.11 124.40 1v5n h GLN 46 Ca -0.37 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 58.94 1v5n h GLN 46 Cb 1.16 0.01 -0.22 0.00 0.21 0.00 0.00 27.48 28.64 1v5n h GLN 46 CO 0.47 0.27 -0.24 0.08 -1.93 0.00 0.00 178.83 177.48 1v5n s VAL 47 N -4.87 0.02 0.21 2.39 1.01 -1.26 -3.79 120.40 114.11 1v5n s VAL 47 Ca -0.15 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 1v5n s VAL 47 Cb 0.03 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.84 1v5n s VAL 47 CO 0.65 -0.10 0.42 0.00 0.00 0.00 0.00 175.10 176.08 1v5n n TYR 48 N 2.14 -1.72 -4.09 5.22 4.11 -1.24 -5.00 117.16 116.57 1v5n n TYR 48 Ca -0.17 -0.99 -0.30 0.00 -0.00 0.00 0.00 57.90 56.45 1v5n n TYR 48 Cb 0.57 0.49 -0.17 0.00 -0.00 0.00 0.00 39.34 40.24 1v5n n TYR 48 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1v5n s THR 49 N -2.52 1.52 -0.25 -3.48 2.01 -1.26 -3.58 115.64 108.09 1v5n s THR 49 Ca 0.09 -0.61 -0.27 0.00 0.31 0.00 0.00 61.69 61.21 1v5n s THR 49 Cb -0.03 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 71.06 1v5n s THR 49 CO 0.06 0.45 0.93 0.00 -0.69 0.00 0.00 174.62 175.37 1v5n n ASP 51 N 6.22 3.20 0.02 0.00 2.03 -1.26 -2.08 116.55 124.68 1v5n n ASP 51 Ca 0.08 -2.51 -0.00 0.00 0.52 0.00 0.00 54.79 52.89 1v5n n ASP 51 Cb 0.47 -0.61 -0.00 0.00 -0.72 0.00 0.00 41.12 40.26 1v5n n ASP 51 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1v5n n LYS 52 N -0.02 0.01 -0.13 -0.67 4.81 -1.26 -4.83 118.16 116.08 1v5n n LYS 52 Ca 0.19 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.68 1v5n n LYS 52 Cb 0.86 -0.52 0.11 0.00 0.02 0.00 0.00 35.03 35.50 1v5n n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1v5n n GLU 54 N -0.54 -4.12 -4.20 0.00 1.02 -0.88 -4.99 120.64 106.93 1v5n n GLU 54 Ca 0.10 0.57 -0.14 0.00 -0.02 0.00 0.00 57.16 57.67 1v5n n GLU 54 Cb 0.49 -4.98 -0.11 0.00 -0.02 0.00 0.00 31.44 26.83 1v5n n GLU 54 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1v5n s GLU 55 N -6.01 0.90 -0.23 3.49 0.41 -1.21 -4.92 118.70 111.12 1v5n s GLU 55 Ca 0.07 -1.24 -0.08 0.00 -0.41 0.00 0.00 54.97 53.31 1v5n s GLU 55 Cb -0.02 -0.55 -0.04 0.00 -1.78 0.00 0.00 34.13 31.74 1v5n s GLU 55 CO 0.83 0.08 0.08 -2.00 -0.49 0.00 0.00 175.26 173.76 1v5n s GLU 56 N -3.06 3.79 0.73 1.61 2.12 -1.26 0.69 118.70 123.33 1v5n s GLU 56 Ca 0.08 -0.42 -0.01 0.00 0.36 0.00 0.00 54.97 54.99 1v5n s GLU 56 Cb -0.01 -3.32 0.15 0.00 0.26 0.00 0.00 34.13 31.21 1v5n s GLU 56 CO -0.00 -0.03 1.00 0.41 -0.54 0.00 0.00 175.26 176.10 1v5n n GLY 57 N 4.45 0.57 3.45 -1.50 0.00 -1.23 -4.91 105.19 106.01 1v5n n GLY 57 Ca -0.16 -2.02 -0.15 0.00 0.00 0.00 0.00 46.02 43.70 1v5n n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v5n s THR 58 N -3.08 0.01 -1.06 2.61 -4.23 -1.26 -3.68 115.64 104.94 1v5n s THR 58 Ca 0.66 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 1v5n s THR 58 Cb -0.04 -0.82 0.00 0.00 1.34 0.00 0.00 72.50 72.99 1v5n s THR 58 CO 0.44 -0.04 0.00 -0.38 -0.54 0.00 0.00 174.62 174.09 1v5n n ILE 59 N 2.06 -0.27 0.00 2.99 2.08 0.16 -4.83 119.36 121.54 1v5n n ILE 59 Ca -0.16 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.15 1v5n n ILE 59 Cb 0.56 -1.33 0.00 0.00 -0.75 0.00 0.00 39.64 38.13 1v5n n ILE 59 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 1v5n n TRP 60 N -2.53 0.00 -3.29 1.39 5.03 -1.17 -4.67 117.44 112.20 1v5n n TRP 60 Ca -0.12 0.00 0.03 0.00 3.03 0.00 0.00 57.50 60.44 1v5n n TRP 60 Cb 0.48 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 30.73 1v5n n TRP 60 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 1v5n s SER 61 N 0.00 -0.36 -0.63 -0.99 0.15 -0.96 -4.73 113.70 106.18 1v5n s SER 61 Ca 0.00 0.47 -0.26 0.00 0.70 0.00 0.00 55.95 56.86 1v5n s SER 61 Cb 0.00 1.40 -0.03 0.00 -1.71 0.00 0.00 66.02 65.69 1v5n s SER 61 CO 0.00 -0.07 1.90 -0.31 1.20 0.00 0.00 173.24 175.96 1v5n s TYR 62 N 2.33 1.64 -0.03 3.44 2.02 -0.66 -0.71 117.35 125.38 1v5n s TYR 62 Ca -0.01 0.82 -0.02 0.00 -0.37 0.00 0.00 57.07 57.49 1v5n s TYR 62 Cb -0.04 -4.06 -0.04 0.00 -0.40 0.00 0.00 41.96 37.42 1v5n s TYR 62 CO -0.16 -2.28 0.12 -1.58 -1.57 0.00 0.00 175.55 170.08 1v5n s HIS 63 N 9.35 3.42 -0.20 2.71 5.65 -0.95 -2.33 115.29 132.93 1v5n s HIS 63 Ca 0.69 0.31 -0.01 0.00 0.25 0.00 0.00 55.06 56.30 1v5n s HIS 63 Cb -0.12 -1.80 0.01 0.00 -1.18 0.00 0.00 32.58 29.48 1v5n s HIS 63 CO 0.19 0.61 -0.13 0.00 -0.65 0.00 0.00 174.74 174.76 1v5n n ASP 65 N 4.69 2.63 0.00 0.00 2.03 -1.26 -0.35 116.55 124.29 1v5n n ASP 65 Ca -0.20 -1.64 0.00 0.00 0.52 0.00 0.00 54.79 53.47 1v5n n ASP 65 Cb 0.50 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1v5n n ASP 65 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1v5n n GLU 66 N 0.78 0.26 -0.37 -0.67 2.13 -1.26 -4.89 120.64 116.63 1v5n n GLU 66 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1v5n n GLU 66 Cb 0.39 -0.62 0.04 0.00 0.27 0.00 0.00 31.44 31.51 1v5n n GLU 66 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1v5n n ASP 68 N -0.39 0.62 -4.63 0.00 5.75 0.52 -4.87 116.55 113.56 1v5n n ASP 68 Ca 0.04 -1.11 -0.39 0.00 -0.01 0.00 0.00 54.79 53.32 1v5n n ASP 68 Cb 0.68 -1.38 -0.08 0.00 -1.03 0.00 0.00 41.12 39.30 1v5n n ASP 68 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1v5n s PHE 69 N -4.18 3.30 -0.02 2.11 5.36 -1.25 -4.81 117.98 118.49 1v5n s PHE 69 Ca 0.02 0.50 0.01 0.00 -0.96 0.00 0.00 56.93 56.50 1v5n s PHE 69 Cb -0.01 -2.56 -0.04 0.00 -0.34 0.00 0.00 43.02 40.07 1v5n s PHE 69 CO 0.87 -0.14 0.00 -0.51 -1.46 0.00 0.00 175.22 173.98 1v5n s ASP 70 N 1.39 5.14 0.35 6.13 1.01 -1.23 -2.36 116.67 127.10 1v5n s ASP 70 Ca 0.17 0.02 -0.07 0.00 0.71 0.00 0.00 52.55 53.38 1v5n s ASP 70 Cb -0.15 -1.36 0.02 0.00 1.01 0.00 0.00 42.92 42.43 1v5n s ASP 70 CO 0.09 0.30 0.57 -0.76 0.21 0.00 0.00 175.17 175.58 1v5n s LEU 71 N -1.44 0.66 0.13 1.23 1.43 -0.99 -4.13 118.68 115.57 1v5n s LEU 71 Ca 0.19 -1.35 -0.05 0.00 -1.03 0.00 0.00 54.13 51.89 1v5n s LEU 71 Cb -0.11 1.92 -0.05 0.00 0.03 0.00 0.00 46.19 47.97 1v5n s LEU 71 CO 0.09 -1.41 0.37 -1.00 0.23 0.00 0.00 176.35 174.63 1v5n s HIS 72 N -2.89 3.48 0.38 0.29 3.76 -1.26 -1.65 115.29 117.40 1v5n s HIS 72 Ca 0.25 0.55 0.06 0.00 -0.15 0.00 0.00 55.06 55.77 1v5n s HIS 72 Cb -0.02 -2.00 0.78 0.00 1.11 0.00 0.00 32.58 32.45 1v5n s HIS 72 CO 0.17 0.45 2.02 0.00 -0.85 0.00 0.00 174.74 176.52 1v5n h ALA 73 N 2.89 1.69 0.20 -1.40 0.00 -1.97 -0.26 119.26 120.42 1v5n h ALA 73 Ca -0.46 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.09 1v5n h ALA 73 Cb 1.17 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.78 1v5n h ALA 73 CO 0.72 0.26 -1.56 1.57 0.00 0.00 0.00 179.25 180.24 1v5n h LYS 74 N 0.68 0.43 -0.45 0.00 5.09 -1.98 -2.94 116.57 117.39 1v5n h LYS 74 Ca 0.22 -0.74 -0.00 0.00 0.09 0.00 0.00 60.65 60.22 1v5n h LYS 74 Cb 0.05 0.28 -0.02 0.00 0.10 0.00 0.00 32.23 32.64 1v5n h LYS 74 CO -0.06 1.34 0.28 0.00 -2.09 0.00 0.00 179.45 178.92 1v5n h ALA 76 N 1.13 0.65 0.44 0.00 0.00 -1.18 -3.28 119.26 117.02 1v5n h ALA 76 Ca 0.16 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1v5n h ALA 76 Cb -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1v5n h ALA 76 CO -0.03 0.58 -0.21 -0.07 0.00 0.00 0.00 179.25 179.52 1v5n h LEU 77 N 0.77 -0.49 -9.64 0.00 3.38 -1.30 -3.44 115.31 104.59 1v5n h LEU 77 Ca 0.12 -0.10 -0.53 0.00 0.09 0.00 0.00 57.88 57.46 1v5n h LEU 77 Cb 0.70 0.13 0.04 0.00 0.09 0.00 0.00 40.66 41.62 1v5n h LEU 77 CO 0.05 -0.14 0.77 0.20 0.09 0.00 0.00 178.44 179.41 1v5n s ASN 78 N -4.87 6.72 -0.38 -0.43 0.01 0.85 -4.99 114.94 111.84 1v5n s ASN 78 Ca -0.14 2.52 0.02 0.00 -0.71 0.00 0.00 52.86 54.55 1v5n s ASN 78 Cb 0.02 -2.60 0.11 0.00 0.41 0.00 0.00 41.25 39.19 1v5n s ASN 78 CO 0.51 -0.69 0.12 -0.70 -1.51 0.00 0.00 177.10 174.83 1v5n s GLU 79 N 0.48 1.34 0.15 -0.60 -6.30 -1.26 -4.80 118.70 107.71 1v5n s GLU 79 Ca 0.63 -1.82 0.09 0.00 -2.50 0.00 0.00 54.97 51.37 1v5n s GLU 79 Cb -0.40 -2.79 -0.04 0.00 0.00 0.00 0.00 34.13 30.90 1v5n s GLU 79 CO 0.36 -1.01 -0.19 0.34 0.02 0.00 0.00 175.26 174.77 1v5n s ASP 80 N 0.80 2.68 -0.28 -1.70 2.15 -1.26 -5.05 116.67 114.01 1v5n s ASP 80 Ca 0.13 -0.81 0.08 0.00 0.43 0.00 0.00 52.55 52.38 1v5n s ASP 80 Cb -0.21 -0.16 0.46 0.00 -0.30 0.00 0.00 42.92 42.71 1v5n s ASP 80 CO -0.10 0.00 1.19 1.07 -0.17 0.00 0.00 175.17 177.17 1v5n n THR 81 N 0.53 2.46 -3.63 1.71 5.66 -1.26 -5.01 114.28 114.75 1v5n n THR 81 Ca -0.15 -4.07 -0.08 0.00 -3.05 0.00 0.00 64.05 56.71 1v5n n THR 81 Cb 0.56 -0.98 -0.06 0.00 -1.55 0.00 0.00 70.33 68.30 1v5n n THR 81 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1v5n s LYS 82 N -3.55 0.40 -0.03 1.09 0.00 -1.26 -5.17 119.74 111.22 1v5n s LYS 82 Ca 0.49 0.37 0.02 0.00 0.00 0.00 0.00 55.97 56.85 1v5n s LYS 82 Cb 0.40 0.19 0.01 0.00 0.00 0.00 0.00 37.83 38.43 1v5n s LYS 82 CO 0.02 -0.07 -0.08 -1.83 0.00 0.00 0.00 175.35 173.39 1v5n s GLU 83 N -0.13 0.93 0.12 1.78 -1.05 -1.26 -5.15 118.70 113.94 1v5n s GLU 83 Ca 0.03 -0.26 0.07 0.00 -0.15 0.00 0.00 54.97 54.66 1v5n s GLU 83 Cb -0.04 -0.87 -0.04 0.00 -0.44 0.00 0.00 34.13 32.74 1v5n s GLU 83 CO -0.07 0.07 -0.16 -1.12 0.95 0.00 0.00 175.26 174.93 1v5n s SER 84 N 0.34 2.17 0.00 0.83 0.01 -1.26 -5.11 113.70 110.68 1v5n s SER 84 Ca -0.05 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1v5n s SER 84 Cb -0.10 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1v5n s SER 84 CO 0.01 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.17 1v5n n GLY 85 N 0.62 3.10 0.26 3.44 0.00 -1.26 -4.91 105.19 106.44 1v5n n GLY 85 Ca -0.16 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 1v5n n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v5n h PRO 86 N 0.00 0.93 -3.12 1.61 0.13 -2.06 -3.42 132.00 126.07 1v5n h PRO 86 Ca 0.00 -0.49 -0.41 0.00 -0.87 0.00 0.00 66.00 64.23 1v5n h PRO 86 Cb 0.00 0.02 -0.40 0.00 0.13 0.00 0.00 31.00 30.75 1v5n h PRO 86 CO 0.00 1.14 -0.73 -1.54 -0.23 0.00 0.00 178.00 176.64 1v5n s SER 87 N -6.82 1.77 0.55 1.44 1.04 -1.26 -5.13 113.70 105.29 1v5n s SER 87 Ca -0.11 -0.29 -0.19 0.00 0.48 0.00 0.00 55.95 55.84 1v5n s SER 87 Cb 0.11 -0.15 -0.09 0.00 0.10 0.00 0.00 66.02 65.99 1v5n s SER 87 CO 0.88 -0.31 0.53 -1.54 0.98 0.00 0.00 173.24 173.78 1v5n n SER 88 N 5.29 -0.99 0.00 7.02 3.41 -1.26 -5.20 113.62 121.89 1v5n n SER 88 Ca -0.05 0.76 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1v5n n SER 88 Cb 0.49 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1v5n n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49