#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 -0.04 0.14 1.61 1.04 -1.26 -5.19 113.70 110.00 1v5n s SER 2 Ca 0.00 -0.47 -0.05 0.00 0.48 0.00 0.00 55.95 55.90 1v5n s SER 2 Cb 0.00 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 1v5n s SER 2 CO 0.00 -0.78 0.17 -0.44 0.98 0.00 0.00 173.24 173.17 1v5n s SER 3 N -3.30 0.18 0.00 7.02 0.01 -1.26 -5.18 113.70 111.17 1v5n s SER 3 Ca 0.20 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1v5n s SER 3 Cb -0.01 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1v5n s SER 3 CO 0.03 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.49 1v5n n GLY 4 N -0.14 6.89 3.22 3.44 0.00 -1.26 -5.17 105.19 112.17 1v5n n GLY 4 Ca -0.07 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 1v5n n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v5n s SER 5 N 0.60 -0.15 -0.02 1.61 0.15 -1.26 -5.16 113.70 109.46 1v5n s SER 5 Ca 0.00 0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.65 1v5n s SER 5 Cb 0.00 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1v5n s SER 5 CO 0.00 -0.45 0.15 -0.44 1.20 0.00 0.00 173.24 173.70 1v5n s SER 6 N -1.39 6.20 0.00 5.45 0.01 -1.26 -4.96 113.70 117.76 1v5n s SER 6 Ca -0.13 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1v5n s SER 6 Cb -0.05 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.26 1v5n s SER 6 CO 0.03 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.58 1v5n n GLY 7 N 1.12 0.00 3.46 3.44 0.00 -1.26 -5.17 105.19 106.78 1v5n n GLY 7 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 1v5n n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v5n s THR 8 N 0.00 0.01 0.05 2.61 -4.23 -1.26 -5.17 115.64 107.65 1v5n s THR 8 Ca 0.00 -0.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.55 1v5n s THR 8 Cb 0.00 -0.81 -0.03 0.00 1.34 0.00 0.00 72.50 73.00 1v5n s THR 8 CO 0.00 -0.03 -0.24 -1.61 -0.54 0.00 0.00 174.62 172.20 1v5n s GLU 9 N -0.13 1.62 -0.01 3.99 8.01 -1.26 -5.06 118.70 125.87 1v5n s GLU 9 Ca -0.03 -1.07 -0.05 0.00 0.01 0.00 0.00 54.97 53.82 1v5n s GLU 9 Cb -0.03 -1.80 -0.02 0.00 -4.31 0.00 0.00 34.13 27.97 1v5n s GLU 9 CO 0.03 0.46 -0.11 0.39 0.01 0.00 0.00 175.26 176.04 1v5n n GLU 10 N 1.73 0.16 -4.62 1.61 4.71 -1.26 -5.04 120.64 117.94 1v5n n GLU 10 Ca -0.17 0.06 -0.33 0.00 -0.01 0.00 0.00 57.16 56.71 1v5n n GLU 10 Cb 0.52 -0.72 -0.12 0.00 -1.01 0.00 0.00 31.44 30.11 1v5n n GLU 10 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1v5n s ARG 11 N -2.06 3.16 -0.83 3.49 0.52 -1.26 -5.06 118.95 116.91 1v5n s ARG 11 Ca -0.09 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 54.55 1v5n s ARG 11 Cb 0.01 -2.68 0.22 0.00 0.52 0.00 0.00 34.95 33.02 1v5n s ARG 11 CO 0.13 0.43 0.77 1.28 0.02 0.00 0.00 175.30 177.92 1v5n n LEU 12 N 2.94 4.04 0.21 2.53 4.77 -1.26 -4.91 117.00 125.31 1v5n n LEU 12 Ca -0.18 -5.21 -0.14 0.00 -0.03 0.00 0.00 56.01 50.45 1v5n n LEU 12 Cb 0.53 -0.97 -0.08 0.00 -2.33 0.00 0.00 43.42 40.57 1v5n n LEU 12 CO 0.30 1.69 0.58 0.11 -1.33 0.00 0.00 177.39 178.74 1v5n h LYS 13 N 5.53 -0.51 -0.55 3.23 1.57 -2.00 -2.06 116.57 121.78 1v5n h LYS 13 Ca 0.17 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.05 1v5n h LYS 13 Cb 0.76 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.13 1v5n h LYS 13 CO 0.86 -0.22 0.24 1.49 -0.57 0.00 0.00 179.45 181.25 1v5n h GLU 14 N -0.77 0.44 0.37 3.15 4.81 -2.01 -2.73 114.58 117.84 1v5n h GLU 14 Ca -0.05 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1v5n h GLU 14 Cb 0.53 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1v5n h GLU 14 CO 0.09 0.29 -0.37 0.82 -0.73 0.00 0.00 179.01 179.11 1v5n h ILE 15 N 0.45 0.00 -1.00 2.32 1.08 -1.95 -2.62 117.51 115.80 1v5n h ILE 15 Ca 0.26 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.96 1v5n h ILE 15 Cb 0.25 0.00 -0.19 0.00 -3.07 0.00 0.00 36.82 33.81 1v5n h ILE 15 CO -0.23 0.00 -0.13 -0.62 -0.69 0.00 0.00 178.15 176.48 1v5n n GLU 16 N -4.65 -0.09 -0.31 2.37 1.02 -0.78 0.13 120.64 118.34 1v5n n GLU 16 Ca -0.09 1.53 0.08 0.00 -0.02 0.00 0.00 57.16 58.67 1v5n n GLU 16 Cb 0.34 -2.35 0.24 0.00 -0.02 0.00 0.00 31.44 29.65 1v5n n GLU 16 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1v5n h ALA 17 N 2.00 1.35 -0.62 0.62 0.00 -1.17 -0.74 119.26 120.69 1v5n h ALA 17 Ca 0.53 0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.63 1v5n h ALA 17 Cb 0.95 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 1v5n h ALA 17 CO -0.99 -0.09 0.22 0.87 0.00 0.00 0.00 179.25 179.26 1v5n h LYS 18 N 0.64 0.37 -0.07 0.00 1.79 0.13 -2.10 116.57 117.33 1v5n h LYS 18 Ca 0.49 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.93 1v5n h LYS 18 Cb 0.71 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1v5n h LYS 18 CO -0.37 0.25 0.03 1.88 -1.08 0.00 0.00 179.45 180.16 1v5n h TYR 19 N 0.38 0.10 -1.08 -1.35 0.05 -1.04 -2.64 116.97 111.40 1v5n h TYR 19 Ca 0.32 -0.00 0.32 0.00 0.05 0.00 0.00 58.73 59.41 1v5n h TYR 19 Cb 0.43 -0.03 -0.12 0.00 1.01 0.00 0.00 36.73 38.01 1v5n h TYR 19 CO -0.18 0.17 0.66 -0.44 -1.05 0.00 0.00 178.16 177.32 1v5n h ASP 20 N -0.00 0.46 -0.15 3.88 3.32 -0.91 0.97 116.42 123.98 1v5n h ASP 20 Ca 0.02 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1v5n h ASP 20 Cb 0.11 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1v5n h ASP 20 CO -0.00 -0.04 0.02 -0.08 -1.72 0.00 0.00 179.24 177.41 1v5n h GLU 21 N 0.33 0.36 -0.02 3.56 4.81 -1.13 -1.77 114.58 120.72 1v5n h GLU 21 Ca 0.70 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.74 1v5n h GLU 21 Cb 1.74 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 31.05 1v5n h GLU 21 CO -0.45 0.37 -0.59 0.82 -0.73 0.00 0.00 179.01 178.43 1v5n h ILE 22 N 0.35 1.41 -0.73 2.32 2.04 0.96 -3.09 117.51 120.77 1v5n h ILE 22 Ca 0.08 -2.00 -0.44 0.00 1.00 0.00 0.00 64.86 63.51 1v5n h ILE 22 Cb 0.21 2.06 -0.25 0.00 -0.74 0.00 0.00 36.82 38.09 1v5n h ILE 22 CO 0.00 0.58 0.23 0.00 0.00 0.00 0.00 178.15 178.96 1v5n n ALA 23 N -2.44 5.24 -0.18 1.87 0.00 -0.76 -4.67 120.51 119.56 1v5n n ALA 23 Ca -0.02 -3.26 -0.07 0.00 0.00 0.00 0.00 53.44 50.09 1v5n n ALA 23 Cb 0.60 -1.11 0.02 0.00 0.00 0.00 0.00 19.45 18.96 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 0.74 0.01 0.00 1.57 -1.27 -3.10 116.57 115.94 1v5n h LYS 24 Ca 0.44 -0.09 -0.29 0.00 -1.87 0.00 0.00 60.65 58.84 1v5n h LYS 24 Cb 1.76 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.88 1v5n h LYS 24 CO 0.91 0.59 -1.63 0.22 -0.57 0.00 0.00 179.45 178.97 1v5n h ASP 25 N 0.71 0.04 -1.67 0.86 1.82 -1.86 -3.47 116.42 112.85 1v5n h ASP 25 Ca 0.19 -0.08 -0.70 0.00 -0.39 0.00 0.00 57.03 56.04 1v5n h ASP 25 Cb 0.07 -0.01 0.03 0.00 0.68 0.00 0.00 39.33 40.09 1v5n h ASP 25 CO -0.03 1.07 0.74 0.79 -1.61 0.00 0.00 179.24 180.21 1v5n n TRP 26 N -3.13 1.88 -1.23 0.28 7.02 -1.17 -4.93 117.44 116.16 1v5n n TRP 26 Ca -0.16 0.52 -0.30 0.00 -1.02 0.00 0.00 57.50 56.54 1v5n n TRP 26 Cb 1.04 -2.43 0.11 0.00 -2.42 0.00 0.00 31.31 27.61 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 2.29 1.81 0.03 -0.99 0.04 -1.26 -4.99 135.00 131.93 1v5n s PRO 27 Ca 0.92 1.01 -0.04 0.00 0.04 0.00 0.00 61.00 62.93 1v5n s PRO 27 Cb -0.98 -1.86 -0.29 0.00 0.04 0.00 0.00 34.50 31.42 1v5n s PRO 27 CO 0.56 -1.91 0.97 0.87 0.04 0.00 0.00 177.00 177.53 1v5n h LYS 28 N -1.32 0.28 -4.58 4.56 1.79 -1.93 -3.43 116.57 111.94 1v5n h LYS 28 Ca -0.46 -0.48 -0.60 0.00 -2.18 0.00 0.00 60.65 56.94 1v5n h LYS 28 Cb 1.25 0.18 -0.36 0.00 -1.58 0.00 0.00 32.23 31.72 1v5n h LYS 28 CO 0.53 1.18 -0.82 0.15 -1.08 0.00 0.00 179.45 179.40 1v5n s LYS 29 N -2.63 2.12 0.11 3.15 -0.14 -1.26 -2.20 119.74 118.89 1v5n s LYS 29 Ca -0.07 -0.60 0.09 0.00 -1.36 0.00 0.00 55.97 54.04 1v5n s LYS 29 Cb 0.07 -2.13 -0.04 0.00 -1.68 0.00 0.00 37.83 34.05 1v5n s LYS 29 CO 0.87 -0.29 -0.21 0.54 -0.76 0.00 0.00 175.35 175.50 1v5n s VAL 30 N 1.49 2.65 -0.51 3.17 0.11 -0.83 -4.91 120.40 121.59 1v5n s VAL 30 Ca 0.03 -1.52 -0.06 0.00 -2.93 0.00 0.00 61.98 57.51 1v5n s VAL 30 Cb -0.14 -2.18 0.13 0.00 -1.53 0.00 0.00 36.38 32.66 1v5n s VAL 30 CO -0.10 0.14 0.34 -0.75 -3.33 0.00 0.00 175.10 171.41 1v5n s LYS 31 N -1.98 2.38 0.70 1.54 2.20 -1.26 0.80 119.74 124.11 1v5n s LYS 31 Ca 0.16 -2.01 -0.11 0.00 -0.36 0.00 0.00 55.97 53.65 1v5n s LYS 31 Cb -0.10 -3.78 0.01 0.00 -1.51 0.00 0.00 37.83 32.44 1v5n s LYS 31 CO 0.08 -1.15 1.06 -1.58 -0.36 0.00 0.00 175.35 173.40 1v5n s HIS 32 N 0.87 3.21 -0.08 4.03 5.65 -1.26 -4.88 115.29 122.83 1v5n s HIS 32 Ca 0.10 1.31 -0.27 0.00 0.25 0.00 0.00 55.06 56.45 1v5n s HIS 32 Cb -0.23 -2.90 -0.23 0.00 -1.18 0.00 0.00 32.58 28.05 1v5n s HIS 32 CO -0.03 -1.19 1.00 -0.24 -0.65 0.00 0.00 174.74 173.63 1v5n h VAL 33 N -0.68 1.54 0.00 0.89 3.04 -1.94 0.52 116.25 119.62 1v5n h VAL 33 Ca -0.44 -1.71 -0.01 0.00 -1.01 0.00 0.00 66.70 63.53 1v5n h VAL 33 Cb 1.22 2.68 -0.00 0.00 -2.01 0.00 0.00 31.29 33.18 1v5n h VAL 33 CO 0.59 0.44 -0.05 -0.07 -1.01 0.00 0.00 177.57 177.47 1v5n h LEU 34 N -0.75 0.00 -2.99 3.16 3.38 -2.00 -2.11 115.31 114.00 1v5n h LEU 34 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1v5n h LEU 34 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1v5n h LEU 34 CO 0.00 0.05 -0.35 1.57 0.09 0.00 0.00 178.44 179.81 1v5n n HIS 35 N -4.00 0.00 -0.36 1.13 -0.00 -1.22 -4.81 115.22 105.96 1v5n n HIS 35 Ca -0.03 -1.30 0.33 0.00 0.46 0.00 0.00 57.72 57.19 1v5n n HIS 35 Cb 0.14 -0.21 0.60 0.00 -0.12 0.00 0.00 29.99 30.39 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 0.66 0.05 -0.67 1.57 -0.00 0.77 0.09 114.58 117.04 1v5n h GLU 36 Ca -0.00 -0.00 0.15 0.00 -0.00 0.00 0.00 59.36 59.50 1v5n h GLU 36 Cb 1.02 -0.01 -0.13 0.00 -0.00 0.00 0.00 28.75 29.63 1v5n h GLU 36 CO 0.00 0.03 -0.11 0.39 -0.00 0.00 0.00 179.01 179.32 1v5n n GLU 37 N -5.07 -0.06 -4.22 1.06 -0.58 -1.26 -4.57 120.64 105.94 1v5n n GLU 37 Ca 0.38 1.03 -0.15 0.00 -0.42 0.00 0.00 57.16 58.00 1v5n n GLU 37 Cb 1.32 -1.57 -0.09 0.00 -0.57 0.00 0.00 31.44 30.54 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 -5.76 1.34 -0.16 -0.32 3.76 0.02 -5.15 115.29 109.02 1v5n s HIS 38 Ca -0.10 -1.45 -0.07 0.00 -0.15 0.00 0.00 55.06 53.29 1v5n s HIS 38 Cb 0.19 -0.56 -0.04 0.00 1.11 0.00 0.00 32.58 33.28 1v5n s HIS 38 CO 0.52 -0.77 0.07 -1.21 -0.85 0.00 0.00 174.74 172.50 1v5n s GLU 39 N -3.83 3.79 0.94 1.40 2.02 -1.26 -4.39 118.70 117.37 1v5n s GLU 39 Ca 0.39 -0.32 -0.12 0.00 0.02 0.00 0.00 54.97 54.94 1v5n s GLU 39 Cb 0.05 -3.16 0.15 0.00 0.10 0.00 0.00 34.13 31.27 1v5n s GLU 39 CO 0.18 0.40 1.10 -0.51 0.02 0.00 0.00 175.26 176.45 1v5n s LEU 40 N 0.01 1.92 -0.26 1.80 2.01 0.24 -4.71 118.68 119.69 1v5n s LEU 40 Ca 0.06 1.22 -0.01 0.00 0.01 0.00 0.00 54.13 55.42 1v5n s LEU 40 Cb -0.12 -3.53 0.08 0.00 0.01 0.00 0.00 46.19 42.63 1v5n s LEU 40 CO 0.01 -2.81 0.04 -0.70 1.01 0.00 0.00 176.35 173.90 1v5n s GLU 41 N -5.04 0.97 -0.79 1.70 2.12 0.15 -1.96 118.70 115.85 1v5n s GLU 41 Ca 0.64 -0.92 -0.27 0.00 0.36 0.00 0.00 54.97 54.78 1v5n s GLU 41 Cb -0.17 -2.25 -0.18 0.00 0.26 0.00 0.00 34.13 31.79 1v5n s GLU 41 CO 0.56 -0.79 2.20 -0.11 -0.54 0.00 0.00 175.26 176.58 1v5n n LEU 42 N 4.82 0.28 -4.48 2.70 7.94 -0.94 -2.56 117.00 124.78 1v5n n LEU 42 Ca -0.06 0.19 -0.33 0.00 -1.11 0.00 0.00 56.01 54.70 1v5n n LEU 42 Cb 0.44 -0.77 -0.13 0.00 0.53 0.00 0.00 43.42 43.50 1v5n n LEU 42 CO 0.14 -0.60 -0.42 -0.89 -1.11 0.00 0.00 177.39 174.50 1v5n s THR 43 N 7.25 3.30 0.08 1.96 2.01 0.16 -4.90 115.64 125.50 1v5n s THR 43 Ca 1.12 -0.61 -0.31 0.00 0.31 0.00 0.00 61.69 62.20 1v5n s THR 43 Cb -1.07 -2.35 -0.07 0.00 0.01 0.00 0.00 72.50 69.02 1v5n s THR 43 CO 0.42 0.57 1.35 -0.13 -0.69 0.00 0.00 174.62 176.14 1v5n s ARG 44 N -0.35 4.33 -0.08 4.92 1.81 -1.26 -1.61 118.95 126.72 1v5n s ARG 44 Ca 0.04 1.99 -0.07 0.00 -1.72 0.00 0.00 55.73 55.97 1v5n s ARG 44 Cb -0.12 -3.34 0.02 0.00 -0.45 0.00 0.00 34.95 31.06 1v5n s ARG 44 CO 0.02 -0.43 0.22 0.08 -0.68 0.00 0.00 175.30 174.51 1v5n s VAL 45 N 1.39 -0.00 0.05 3.52 1.01 -1.26 -4.94 120.40 120.16 1v5n s VAL 45 Ca 0.63 0.01 -0.25 0.00 0.00 0.00 0.00 61.98 62.37 1v5n s VAL 45 Cb -0.34 -0.31 -0.17 0.00 0.00 0.00 0.00 36.38 35.56 1v5n s VAL 45 CO 0.29 0.01 1.53 -0.61 0.00 0.00 0.00 175.10 176.31 1v5n h GLN 46 N 5.92 -0.17 -2.32 2.72 5.75 -1.95 -1.60 115.11 123.47 1v5n h GLN 46 Ca -0.27 0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.17 1v5n h GLN 46 Cb 1.19 0.04 -0.20 0.00 1.07 0.00 0.00 27.48 29.58 1v5n h GLN 46 CO 0.37 0.04 0.03 0.08 -2.65 0.00 0.00 178.83 176.71 1v5n s VAL 47 N -5.44 0.02 0.20 2.39 1.01 -1.26 -4.10 120.40 113.21 1v5n s VAL 47 Ca -0.14 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1v5n s VAL 47 Cb 0.04 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.58 1v5n s VAL 47 CO 0.64 -0.07 0.39 0.00 0.00 0.00 0.00 175.10 176.06 1v5n n TYR 48 N 1.32 -1.64 -3.83 5.22 4.11 -1.25 -5.02 117.16 116.07 1v5n n TYR 48 Ca -0.19 -0.98 -0.29 0.00 -0.00 0.00 0.00 57.90 56.44 1v5n n TYR 48 Cb 0.57 0.46 -0.16 0.00 -0.00 0.00 0.00 39.34 40.21 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 -2.55 1.12 0.05 -3.48 2.01 -1.26 -3.73 115.64 107.80 1v5n s THR 49 Ca 0.09 -1.18 -0.30 0.00 0.31 0.00 0.00 61.69 60.61 1v5n s THR 49 Cb -0.02 -1.62 -0.09 0.00 0.01 0.00 0.00 72.50 70.79 1v5n s THR 49 CO 0.07 -0.34 1.79 0.00 -0.69 0.00 0.00 174.62 175.45 1v5n n ASP 51 N 6.41 3.64 0.05 0.00 -0.08 -1.26 -2.39 116.55 122.93 1v5n n ASP 51 Ca 0.18 -2.77 0.00 0.00 -1.51 0.00 0.00 54.79 50.69 1v5n n ASP 51 Cb 0.40 -0.70 0.00 0.00 2.34 0.00 0.00 41.12 43.17 1v5n n ASP 51 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1v5n n LYS 52 N -0.19 0.00 -0.06 -0.67 4.81 -1.26 -4.83 118.16 115.96 1v5n n LYS 52 Ca 0.28 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.80 1v5n n LYS 52 Cb 1.00 -0.45 0.10 0.00 0.02 0.00 0.00 35.03 35.70 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 0.95 -5.54 -4.46 0.00 1.02 -1.00 -4.83 120.64 106.77 1v5n n GLU 54 Ca 0.11 0.67 -0.22 0.00 -0.02 0.00 0.00 57.16 57.71 1v5n n GLU 54 Cb 0.44 -5.19 -0.10 0.00 -0.02 0.00 0.00 31.44 26.56 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 -5.30 1.69 -0.17 3.49 0.41 -1.22 -4.37 118.70 113.24 1v5n s GLU 55 Ca 0.10 -1.95 0.00 0.00 -0.41 0.00 0.00 54.97 52.71 1v5n s GLU 55 Cb -0.05 -0.84 0.01 0.00 -1.78 0.00 0.00 34.13 31.47 1v5n s GLU 55 CO 0.58 -0.23 -0.17 -2.00 -0.49 0.00 0.00 175.26 172.96 1v5n s GLU 56 N -3.87 3.13 0.57 1.61 2.12 -1.26 0.12 118.70 121.12 1v5n s GLU 56 Ca 0.34 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.90 1v5n s GLU 56 Cb 0.08 -2.62 0.11 0.00 0.26 0.00 0.00 34.13 31.97 1v5n s GLU 56 CO 0.15 -0.08 0.78 0.41 -0.54 0.00 0.00 175.26 175.99 1v5n n GLY 57 N 4.30 0.74 3.63 -1.50 0.00 -1.24 -4.94 105.19 106.17 1v5n n GLY 57 Ca -0.20 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.37 0.00 -1.78 2.61 -4.23 -1.26 -3.94 115.64 104.66 1v5n s THR 58 Ca 0.52 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 1v5n s THR 58 Cb -0.03 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.81 1v5n s THR 58 CO 0.35 0.00 0.00 -0.38 -0.54 0.00 0.00 174.62 174.05 1v5n n ILE 59 N 2.85 -0.44 0.00 2.99 2.08 -0.60 -4.89 119.36 121.35 1v5n n ILE 59 Ca -0.15 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.16 1v5n n ILE 59 Cb 0.55 -2.21 0.00 0.00 -0.75 0.00 0.00 39.64 37.24 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 -3.03 0.00 -3.30 1.39 5.03 -1.24 -4.76 117.44 111.52 1v5n n TRP 60 Ca -0.20 0.00 0.03 0.00 3.03 0.00 0.00 57.50 60.35 1v5n n TRP 60 Cb 0.64 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.88 1v5n n TRP 60 CO 0.00 0.00 0.00 -1.12 -0.03 0.00 0.00 177.69 176.54 1v5n s SER 61 N 0.00 -0.48 -0.67 -0.99 0.01 -0.63 -4.74 113.70 106.19 1v5n s SER 61 Ca 0.00 0.56 -0.27 0.00 1.31 0.00 0.00 55.95 57.56 1v5n s SER 61 Cb 0.00 1.51 0.01 0.00 0.21 0.00 0.00 66.02 67.75 1v5n s SER 61 CO 0.00 -0.09 1.54 -0.31 0.41 0.00 0.00 173.24 174.79 1v5n s TYR 62 N 2.50 2.01 0.10 2.43 2.02 -0.99 0.39 117.35 125.82 1v5n s TYR 62 Ca -0.01 0.35 0.03 0.00 -0.37 0.00 0.00 57.07 57.07 1v5n s TYR 62 Cb -0.06 -4.38 -0.04 0.00 -0.40 0.00 0.00 41.96 37.08 1v5n s TYR 62 CO -0.16 -2.17 0.12 -1.58 -1.57 0.00 0.00 175.55 170.19 1v5n s HIS 63 N 7.19 3.24 -0.17 2.71 5.65 -1.06 -2.26 115.29 130.60 1v5n s HIS 63 Ca 0.50 0.08 -0.02 0.00 0.25 0.00 0.00 55.06 55.88 1v5n s HIS 63 Cb -0.10 -1.62 -0.01 0.00 -1.18 0.00 0.00 32.58 29.67 1v5n s HIS 63 CO 0.18 0.53 -0.09 0.00 -0.65 0.00 0.00 174.74 174.71 1v5n n ASP 65 N 4.13 3.60 0.00 0.00 2.03 -1.26 -0.16 116.55 124.88 1v5n n ASP 65 Ca -0.18 -2.17 0.00 0.00 0.52 0.00 0.00 54.79 52.96 1v5n n ASP 65 Cb 0.52 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 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 0.65 0.19 0.00 -0.67 4.07 -1.26 -4.90 120.64 118.73 1v5n n GLU 66 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 1v5n n GLU 66 Cb 0.54 -0.63 0.00 0.00 -0.06 0.00 0.00 31.44 31.29 1v5n n GLU 66 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1v5n n ASP 68 N -0.40 -3.06 -4.64 0.00 9.92 0.77 -4.98 116.55 114.15 1v5n n ASP 68 Ca 0.00 -0.45 -0.39 0.00 -0.53 0.00 0.00 54.79 53.42 1v5n n ASP 68 Cb 0.03 -4.01 -0.08 0.00 -0.64 0.00 0.00 41.12 36.42 1v5n n ASP 68 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1v5n s PHE 69 N -3.27 3.31 0.10 1.24 5.36 -1.25 -4.77 117.98 118.69 1v5n s PHE 69 Ca 0.14 0.49 0.02 0.00 -0.96 0.00 0.00 56.93 56.63 1v5n s PHE 69 Cb -0.06 -2.54 -0.04 0.00 -0.34 0.00 0.00 43.02 40.04 1v5n s PHE 69 CO 0.56 -0.12 0.15 -0.51 -1.46 0.00 0.00 175.22 173.84 1v5n s ASP 70 N 1.34 5.87 0.37 6.13 1.01 -1.25 -2.33 116.67 127.82 1v5n s ASP 70 Ca 0.16 0.07 -0.12 0.00 0.71 0.00 0.00 52.55 53.38 1v5n s ASP 70 Cb -0.15 -1.67 0.04 0.00 1.01 0.00 0.00 42.92 42.15 1v5n s ASP 70 CO 0.09 0.14 0.69 -0.76 0.21 0.00 0.00 175.17 175.54 1v5n s LEU 71 N -2.65 0.29 0.16 1.23 1.43 -0.96 -4.24 118.68 113.94 1v5n s LEU 71 Ca 0.32 -1.22 -0.05 0.00 -1.03 0.00 0.00 54.13 52.15 1v5n s LEU 71 Cb -0.12 2.43 -0.06 0.00 0.03 0.00 0.00 46.19 48.47 1v5n s LEU 71 CO 0.25 -1.56 0.40 -1.00 0.23 0.00 0.00 176.35 174.67 1v5n s HIS 72 N -2.62 3.47 0.27 0.29 3.76 -1.26 -2.34 115.29 116.86 1v5n s HIS 72 Ca 0.20 0.57 -0.00 0.00 -0.15 0.00 0.00 55.06 55.67 1v5n s HIS 72 Cb -0.04 -2.02 0.50 0.00 1.11 0.00 0.00 32.58 32.14 1v5n s HIS 72 CO 0.14 0.40 1.83 0.00 -0.85 0.00 0.00 174.74 176.26 1v5n h ALA 73 N 2.67 1.42 0.19 -1.40 0.00 -1.97 0.24 119.26 120.40 1v5n h ALA 73 Ca -0.46 0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.16 1v5n h ALA 73 Cb 1.17 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.79 1v5n h ALA 73 CO 0.72 0.21 -1.36 1.57 0.00 0.00 0.00 179.25 180.39 1v5n h LYS 74 N 0.95 0.41 -0.73 0.00 2.10 -1.94 -2.71 116.57 114.65 1v5n h LYS 74 Ca 0.47 -0.69 -0.04 0.00 -2.00 0.00 0.00 60.65 58.39 1v5n h LYS 74 Cb 0.44 0.26 -0.03 0.00 -0.90 0.00 0.00 32.23 31.99 1v5n h LYS 74 CO -0.26 1.33 0.31 0.00 -2.00 0.00 0.00 179.45 178.83 1v5n h ALA 76 N 1.15 0.21 0.43 0.00 0.00 -0.65 -3.28 119.26 117.12 1v5n h ALA 76 Ca 0.24 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1v5n h ALA 76 Cb 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1v5n h ALA 76 CO -0.02 0.17 -0.39 -0.07 0.00 0.00 0.00 179.25 178.94 1v5n h LEU 77 N -0.01 -1.04 -7.79 0.00 3.38 -1.36 -3.41 115.31 105.07 1v5n h LEU 77 Ca 0.01 0.08 -0.62 0.00 0.09 0.00 0.00 57.88 57.45 1v5n h LEU 77 Cb 0.81 0.34 -0.37 0.00 0.09 0.00 0.00 40.66 41.54 1v5n h LEU 77 CO 0.05 -0.55 -0.81 0.20 0.09 0.00 0.00 178.44 177.42 1v5n s ASN 78 N -4.51 3.40 0.57 -0.43 0.01 -0.55 -5.04 114.94 108.38 1v5n s ASN 78 Ca -0.17 -0.89 -0.16 0.00 -0.71 0.00 0.00 52.86 50.93 1v5n s ASN 78 Cb 0.05 -1.24 -0.05 0.00 0.41 0.00 0.00 41.25 40.42 1v5n s ASN 78 CO 0.62 -0.14 1.04 -1.83 -1.51 0.00 0.00 177.10 175.28 1v5n s GLU 79 N 1.39 3.51 -0.04 -0.60 1.03 -1.24 -4.43 118.70 118.33 1v5n s GLU 79 Ca -0.01 1.15 -0.29 0.00 0.03 0.00 0.00 54.97 55.85 1v5n s GLU 79 Cb -0.16 -2.06 0.10 0.00 -0.80 0.00 0.00 34.13 31.21 1v5n s GLU 79 CO -0.08 -0.65 0.89 0.34 -1.33 0.00 0.00 175.26 174.43 1v5n s ASP 80 N -2.81 -0.39 -0.10 0.83 2.15 -1.26 -5.13 116.67 109.96 1v5n s ASP 80 Ca 0.63 0.13 0.01 0.00 0.43 0.00 0.00 52.55 53.75 1v5n s ASP 80 Cb -0.14 0.38 0.02 0.00 -0.30 0.00 0.00 42.92 42.88 1v5n s ASP 80 CO 0.34 -0.57 -0.12 0.28 -0.17 0.00 0.00 175.17 174.93 1v5n s THR 81 N -2.59 1.25 0.02 1.71 -1.32 -1.26 -5.03 115.64 108.42 1v5n s THR 81 Ca 0.02 -0.49 0.02 0.00 -1.21 0.00 0.00 61.69 60.03 1v5n s THR 81 Cb -0.01 -1.17 -0.02 0.00 -1.51 0.00 0.00 72.50 69.79 1v5n s THR 81 CO -0.06 0.39 -0.07 -0.75 -2.21 0.00 0.00 174.62 171.93 1v5n s LYS 82 N 1.07 0.47 -0.19 7.08 2.20 -1.26 -5.14 119.74 123.96 1v5n s LYS 82 Ca -0.06 -0.53 -0.12 0.00 -0.36 0.00 0.00 55.97 54.90 1v5n s LYS 82 Cb -0.15 -0.31 -0.05 0.00 -1.51 0.00 0.00 37.83 35.81 1v5n s LYS 82 CO -0.02 0.07 0.22 -1.21 -0.36 0.00 0.00 175.35 174.05 1v5n s GLU 83 N -1.00 4.20 0.28 4.03 2.02 -1.26 -5.09 118.70 121.88 1v5n s GLU 83 Ca -0.06 -0.07 0.05 0.00 0.02 0.00 0.00 54.97 54.91 1v5n s GLU 83 Cb -0.07 -3.44 -0.06 0.00 0.10 0.00 0.00 34.13 30.66 1v5n s GLU 83 CO 0.00 0.22 -0.01 -1.54 0.02 0.00 0.00 175.26 173.96 1v5n s SER 84 N 0.54 2.38 0.45 -0.19 1.04 -1.26 -5.17 113.70 111.49 1v5n s SER 84 Ca 0.12 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1v5n s SER 84 Cb -0.12 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.90 1v5n s SER 84 CO 0.02 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1v5n n GLY 85 N -0.57 0.12 0.09 7.32 0.00 -1.26 -4.91 105.19 105.98 1v5n n GLY 85 Ca -0.04 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1v5n n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v5n n PRO 86 N -0.74 0.49 -3.81 1.61 -0.04 -1.26 -4.62 135.00 126.64 1v5n n PRO 86 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 1v5n n PRO 86 Cb 0.00 -1.04 -0.13 0.00 -0.04 0.00 0.00 33.50 32.29 1v5n n PRO 86 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1v5n s SER 87 N -1.34 4.85 -0.24 3.54 1.04 -1.26 -5.08 113.70 115.21 1v5n s SER 87 Ca 0.00 -0.38 -0.24 0.00 0.48 0.00 0.00 55.95 55.81 1v5n s SER 87 Cb 0.00 -1.85 -0.01 0.00 0.10 0.00 0.00 66.02 64.26 1v5n s SER 87 CO 0.00 -0.06 0.79 -0.55 0.98 0.00 0.00 173.24 174.39 1v5n s SER 88 N 1.54 6.79 0.00 7.02 0.15 -1.26 -5.05 113.70 122.89 1v5n s SER 88 Ca 0.05 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.68 1v5n s SER 88 Cb -0.15 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1v5n s SER 88 CO 0.01 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.58