#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 -0.80 0.08 1.61 0.15 -1.26 -5.18 113.70 108.31 1v5n s SER 2 Ca 0.00 1.12 0.01 0.00 0.70 0.00 0.00 55.95 57.79 1v5n s SER 2 Cb 0.00 1.85 -0.04 0.00 -1.71 0.00 0.00 66.02 66.12 1v5n s SER 2 CO 0.00 -0.16 -0.06 -0.94 1.20 0.00 0.00 173.24 173.28 1v5n s SER 3 N 2.50 1.00 0.41 5.45 1.04 -1.26 -5.17 113.70 117.67 1v5n s SER 3 Ca -0.05 -0.95 0.08 0.00 0.48 0.00 0.00 55.95 55.51 1v5n s SER 3 Cb -0.08 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 1v5n s SER 3 CO -0.18 -0.46 0.34 -0.83 0.98 0.00 0.00 173.24 173.09 1v5n s GLY 4 N -2.85 2.15 0.15 7.32 0.00 -1.26 -5.15 107.32 107.68 1v5n s GLY 4 Ca 0.08 -1.91 -0.07 0.00 0.00 0.00 0.00 44.72 42.83 1v5n s GLY 4 CO -0.05 -1.72 0.22 -0.56 0.00 0.00 0.00 173.10 170.98 1v5n s SER 5 N -4.08 0.12 0.71 1.64 0.01 -1.26 -5.18 113.70 105.66 1v5n s SER 5 Ca 0.46 -0.97 -0.01 0.00 1.31 0.00 0.00 55.95 56.75 1v5n s SER 5 Cb -0.02 0.39 0.12 0.00 0.21 0.00 0.00 66.02 66.72 1v5n s SER 5 CO 0.27 -0.84 0.98 -0.44 0.41 0.00 0.00 173.24 173.62 1v5n s SER 6 N -2.99 4.39 0.29 2.44 0.01 -1.26 -5.12 113.70 111.46 1v5n s SER 6 Ca 0.19 -0.34 0.10 0.00 1.31 0.00 0.00 55.95 57.21 1v5n s SER 6 Cb 0.05 -0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.16 1v5n s SER 6 CO 0.00 -1.83 -0.15 -0.83 0.41 0.00 0.00 173.24 170.85 1v5n s GLY 7 N -4.72 1.91 0.23 3.44 0.00 -1.26 -5.16 107.32 101.77 1v5n s GLY 7 Ca 0.66 -1.92 0.01 0.00 0.00 0.00 0.00 44.72 43.47 1v5n s GLY 7 CO 0.44 -1.95 0.08 -0.51 0.00 0.00 0.00 173.10 171.16 1v5n s THR 8 N -2.66 0.52 0.86 0.90 -4.23 -1.26 -5.17 115.64 104.60 1v5n s THR 8 Ca 0.30 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 58.72 1v5n s THR 8 Cb -0.01 -2.51 0.17 0.00 1.34 0.00 0.00 72.50 71.49 1v5n s THR 8 CO 0.14 -0.10 1.18 -1.61 -0.54 0.00 0.00 174.62 173.69 1v5n s GLU 9 N -4.02 1.06 -1.24 3.99 8.01 -1.26 -4.38 118.70 120.86 1v5n s GLU 9 Ca 0.35 -0.77 0.00 0.00 0.01 0.00 0.00 54.97 54.56 1v5n s GLU 9 Cb 0.07 -2.06 0.00 0.00 -4.31 0.00 0.00 34.13 27.83 1v5n s GLU 9 CO 0.11 -2.01 0.00 -1.91 0.01 0.00 0.00 175.26 171.46 1v5n n GLU 10 N -3.36 -1.11 -2.42 1.61 4.07 -1.26 -4.91 120.64 113.27 1v5n n GLU 10 Ca 0.16 0.72 -0.15 0.00 -0.06 0.00 0.00 57.16 57.82 1v5n n GLU 10 Cb 0.60 -4.98 0.03 0.00 -0.06 0.00 0.00 31.44 27.03 1v5n n GLU 10 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1v5n n ARG 11 N -2.38 2.73 -2.70 5.31 5.12 -1.26 -5.01 116.66 118.46 1v5n n ARG 11 Ca -0.16 -3.91 -0.42 0.00 -1.93 0.00 0.00 57.85 51.43 1v5n n ARG 11 Cb 0.61 -1.95 -0.03 0.00 -1.16 0.00 0.00 32.46 29.93 1v5n n ARG 11 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1v5n s LEU 12 N -3.61 3.96 -0.23 0.55 1.02 -1.26 -4.78 118.68 114.33 1v5n s LEU 12 Ca 0.40 -1.34 -0.16 0.00 0.02 0.00 0.00 54.13 53.05 1v5n s LEU 12 Cb 0.39 -2.50 -0.13 0.00 0.02 0.00 0.00 46.19 43.97 1v5n s LEU 12 CO -0.02 -1.45 -0.16 1.17 0.02 0.00 0.00 176.35 175.91 1v5n n LYS 13 N 8.21 0.56 -0.02 1.70 3.00 -1.26 -4.15 118.16 126.20 1v5n n LYS 13 Ca 0.20 0.38 -0.13 0.00 -0.00 0.00 0.00 58.31 58.76 1v5n n LYS 13 Cb 0.49 -1.58 -0.09 0.00 0.00 0.00 0.00 35.03 33.85 1v5n n LYS 13 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1v5n h GLU 14 N -1.00 0.07 -0.58 1.64 4.81 -2.01 -3.24 114.58 114.26 1v5n h GLU 14 Ca -0.44 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 58.84 1v5n h GLU 14 Cb 1.34 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.61 1v5n h GLU 14 CO -0.27 0.52 -0.44 0.82 -0.73 0.00 0.00 179.01 178.91 1v5n h ILE 15 N -0.38 0.08 -0.74 2.32 1.08 -1.95 -0.06 117.51 117.85 1v5n h ILE 15 Ca 0.01 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.62 1v5n h ILE 15 Cb 0.50 0.08 -0.14 0.00 -3.07 0.00 0.00 36.82 34.19 1v5n h ILE 15 CO 0.01 0.00 -0.19 -0.33 -0.69 0.00 0.00 178.15 176.94 1v5n h GLU 16 N -0.23 -0.01 -0.86 2.37 5.08 -1.72 0.28 114.58 119.49 1v5n h GLU 16 Ca 0.17 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.74 1v5n h GLU 16 Cb 0.56 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.70 1v5n h GLU 16 CO -0.69 -0.00 0.36 0.00 -1.00 0.00 0.00 179.01 177.68 1v5n h ALA 17 N 1.72 1.33 0.37 3.43 0.00 -1.04 -1.39 119.26 123.68 1v5n h ALA 17 Ca 0.35 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 1v5n h ALA 17 Cb 0.55 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1v5n h ALA 17 CO -0.77 -0.31 -0.39 0.87 0.00 0.00 0.00 179.25 178.65 1v5n h LYS 18 N 0.40 -0.75 -0.38 0.00 1.79 -0.19 -2.59 116.57 114.85 1v5n h LYS 18 Ca 0.52 0.05 0.08 0.00 -2.18 0.00 0.00 60.65 59.12 1v5n h LYS 18 Cb 0.96 0.17 -0.07 0.00 -1.58 0.00 0.00 32.23 31.70 1v5n h LYS 18 CO -0.51 -0.50 -0.11 1.88 -1.08 0.00 0.00 179.45 179.13 1v5n h TYR 19 N -0.78 -0.24 -0.91 -1.35 0.05 -1.10 -0.97 116.97 111.67 1v5n h TYR 19 Ca -0.03 0.04 0.25 0.00 0.05 0.00 0.00 58.73 59.04 1v5n h TYR 19 Cb 0.71 0.17 -0.14 0.00 1.01 0.00 0.00 36.73 38.47 1v5n h TYR 19 CO -0.22 -0.18 0.34 -0.44 -1.05 0.00 0.00 178.16 176.61 1v5n h ASP 20 N -0.02 0.19 -0.29 3.88 5.19 -1.05 0.94 116.42 125.26 1v5n h ASP 20 Ca 0.19 0.19 0.05 0.00 -0.62 0.00 0.00 57.03 56.84 1v5n h ASP 20 Cb 0.30 0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 1v5n h ASP 20 CO -0.41 -0.12 0.20 -0.08 -3.12 0.00 0.00 179.24 175.71 1v5n h GLU 21 N 0.28 0.15 0.02 3.56 4.81 -0.79 0.13 114.58 122.74 1v5n h GLU 21 Ca 0.59 -0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 59.60 1v5n h GLU 21 Cb 1.23 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1v5n h GLU 21 CO -0.62 0.10 -0.95 0.82 -0.73 0.00 0.00 179.01 177.63 1v5n h ILE 22 N 0.16 1.48 -0.79 2.32 2.04 0.95 -3.26 117.51 120.41 1v5n h ILE 22 Ca 0.13 -2.66 -0.50 0.00 1.00 0.00 0.00 64.86 62.82 1v5n h ILE 22 Cb 0.31 2.53 -0.28 0.00 -0.74 0.00 0.00 36.82 38.64 1v5n h ILE 22 CO -0.02 0.78 0.23 0.00 0.00 0.00 0.00 178.15 179.14 1v5n n ALA 23 N -2.49 5.45 -0.21 1.87 0.00 -0.45 -4.66 120.51 120.03 1v5n n ALA 23 Ca -0.05 -3.37 -0.09 0.00 0.00 0.00 0.00 53.44 49.93 1v5n n ALA 23 Cb 0.85 -1.15 0.02 0.00 0.00 0.00 0.00 19.45 19.17 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 1.63 0.99 0.00 0.00 1.79 -1.07 -3.18 116.57 116.73 1v5n h LYS 24 Ca 0.47 -0.28 -0.30 0.00 -2.18 0.00 0.00 60.65 58.37 1v5n h LYS 24 Cb 1.53 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 32.02 1v5n h LYS 24 CO 1.04 0.95 -1.75 -0.25 -1.08 0.00 0.00 179.45 178.36 1v5n n ASP 25 N -4.29 0.84 -4.65 0.86 9.92 -1.26 -4.92 116.55 113.06 1v5n n ASP 25 Ca 0.03 0.39 -0.53 0.00 -0.53 0.00 0.00 54.79 54.15 1v5n n ASP 25 Cb 0.29 -0.02 -0.06 0.00 -0.64 0.00 0.00 41.12 40.69 1v5n n ASP 25 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1v5n n TRP 26 N -3.03 1.86 -1.61 1.24 7.02 -1.20 -4.92 117.44 116.79 1v5n n TRP 26 Ca -0.18 0.49 -0.32 0.00 -1.02 0.00 0.00 57.50 56.47 1v5n n TRP 26 Cb 1.06 -2.43 0.06 0.00 -2.42 0.00 0.00 31.31 27.58 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 1.82 2.64 0.12 -0.99 0.04 -1.26 -4.97 135.00 132.40 1v5n s PRO 27 Ca 0.89 1.32 -0.03 0.00 0.04 0.00 0.00 61.00 63.22 1v5n s PRO 27 Cb -0.93 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 31.56 1v5n s PRO 27 CO 0.52 -1.37 1.28 0.87 0.04 0.00 0.00 177.00 178.34 1v5n h LYS 28 N -0.32 0.34 -4.73 4.56 1.79 -1.94 -3.43 116.57 112.84 1v5n h LYS 28 Ca -0.46 -0.40 -0.61 0.00 -2.18 0.00 0.00 60.65 57.00 1v5n h LYS 28 Cb 1.24 0.12 -0.36 0.00 -1.58 0.00 0.00 32.23 31.66 1v5n h LYS 28 CO 0.53 1.10 -0.84 0.15 -1.08 0.00 0.00 179.45 179.32 1v5n s LYS 29 N -3.12 2.41 0.09 3.15 -0.14 -1.26 -1.67 119.74 119.19 1v5n s LYS 29 Ca -0.05 -0.60 0.05 0.00 -1.36 0.00 0.00 55.97 54.01 1v5n s LYS 29 Cb 0.09 -2.17 -0.04 0.00 -1.68 0.00 0.00 37.83 34.02 1v5n s LYS 29 CO 0.86 -0.23 -0.02 0.54 -0.76 0.00 0.00 175.35 175.74 1v5n s VAL 30 N 1.44 3.88 -0.83 3.17 0.11 -0.73 -4.92 120.40 122.52 1v5n s VAL 30 Ca 0.05 -1.03 -0.05 0.00 -2.93 0.00 0.00 61.98 58.02 1v5n s VAL 30 Cb -0.13 -2.83 0.21 0.00 -1.53 0.00 0.00 36.38 32.10 1v5n s VAL 30 CO -0.11 0.13 0.71 -0.75 -3.33 0.00 0.00 175.10 171.75 1v5n s LYS 31 N -2.25 3.20 0.97 1.54 2.47 -1.26 -0.51 119.74 123.90 1v5n s LYS 31 Ca 0.24 -2.93 -0.12 0.00 -1.56 0.00 0.00 55.97 51.60 1v5n s LYS 31 Cb -0.12 -4.02 0.17 0.00 -1.46 0.00 0.00 37.83 32.41 1v5n s LYS 31 CO 0.17 -1.24 1.09 -1.58 0.16 0.00 0.00 175.35 173.95 1v5n s HIS 32 N -0.74 2.10 -0.15 4.03 5.65 -1.26 -4.90 115.29 120.02 1v5n s HIS 32 Ca 0.23 1.17 -0.19 0.00 0.25 0.00 0.00 55.06 56.52 1v5n s HIS 32 Cb -0.12 -3.20 -0.24 0.00 -1.18 0.00 0.00 32.58 27.84 1v5n s HIS 32 CO -0.09 -2.77 0.45 -0.24 -0.65 0.00 0.00 174.74 171.44 1v5n h VAL 33 N -1.81 1.07 0.00 0.89 3.04 -1.93 -1.57 116.25 115.94 1v5n h VAL 33 Ca -0.52 -2.31 -0.04 0.00 -1.01 0.00 0.00 66.70 62.82 1v5n h VAL 33 Cb 1.31 2.62 -0.01 0.00 -2.01 0.00 0.00 31.29 33.20 1v5n h VAL 33 CO 0.55 0.56 -0.18 -0.07 -1.01 0.00 0.00 177.57 177.42 1v5n h LEU 34 N -0.64 0.00 -3.09 3.16 3.38 -1.99 -2.53 115.31 113.60 1v5n h LEU 34 Ca -0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1v5n h LEU 34 Cb 1.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 1v5n h LEU 34 CO -0.05 0.18 -0.16 1.57 0.09 0.00 0.00 178.44 180.06 1v5n n HIS 35 N -4.17 0.31 -0.30 1.13 -0.00 -1.26 -4.79 115.22 106.14 1v5n n HIS 35 Ca -0.02 -1.23 0.29 0.00 0.46 0.00 0.00 57.72 57.22 1v5n n HIS 35 Cb 0.25 -0.26 0.53 0.00 -0.12 0.00 0.00 29.99 30.39 1v5n n HIS 35 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1v5n n GLU 36 N -1.16 -0.05 -0.25 1.57 0.28 -0.59 -0.38 120.64 120.05 1v5n n GLU 36 Ca 0.20 1.20 0.05 0.00 -0.16 0.00 0.00 57.16 58.45 1v5n n GLU 36 Cb 0.75 -2.18 0.11 0.00 1.43 0.00 0.00 31.44 31.56 1v5n n GLU 36 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1v5n n GLU 37 N -4.91 -0.06 -4.13 3.44 4.71 -1.26 -4.50 120.64 113.93 1v5n n GLU 37 Ca 0.34 1.09 -0.09 0.00 -0.01 0.00 0.00 57.16 58.49 1v5n n GLU 37 Cb 1.18 -1.64 -0.10 0.00 -1.01 0.00 0.00 31.44 29.86 1v5n n GLU 37 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1v5n s HIS 38 N -5.85 0.72 -0.34 -0.32 3.76 0.48 -5.13 115.29 108.61 1v5n s HIS 38 Ca -0.10 -1.08 -0.17 0.00 -0.15 0.00 0.00 55.06 53.55 1v5n s HIS 38 Cb 0.19 -0.46 -0.01 0.00 1.11 0.00 0.00 32.58 33.42 1v5n s HIS 38 CO 0.55 -0.36 0.47 -1.21 -0.85 0.00 0.00 174.74 173.34 1v5n s GLU 39 N -3.94 3.66 1.06 1.40 8.01 -1.26 -4.54 118.70 123.10 1v5n s GLU 39 Ca 0.13 -0.17 -0.15 0.00 0.01 0.00 0.00 54.97 54.79 1v5n s GLU 39 Cb 0.07 -3.79 0.11 0.00 -4.31 0.00 0.00 34.13 26.21 1v5n s GLU 39 CO -0.05 -0.58 0.34 1.28 0.01 0.00 0.00 175.26 176.26 1v5n n LEU 40 N 5.63 -1.14 -3.85 1.80 7.99 0.33 -4.56 117.00 123.20 1v5n n LEU 40 Ca -0.06 0.06 -0.30 0.00 -0.01 0.00 0.00 56.01 55.70 1v5n n LEU 40 Cb 0.49 -1.11 -0.15 0.00 -0.11 0.00 0.00 43.42 42.53 1v5n n LEU 40 CO 0.43 -3.24 -0.36 -0.70 -1.51 0.00 0.00 177.39 172.01 1v5n s GLU 41 N -3.71 1.13 -0.75 3.23 2.12 0.14 -1.77 118.70 119.08 1v5n s GLU 41 Ca 0.59 -1.15 -0.28 0.00 0.36 0.00 0.00 54.97 54.48 1v5n s GLU 41 Cb -0.17 -2.43 -0.18 0.00 0.26 0.00 0.00 34.13 31.61 1v5n s GLU 41 CO 0.66 -0.83 2.15 -0.11 -0.54 0.00 0.00 175.26 176.59 1v5n n LEU 42 N 4.69 0.32 -4.49 2.70 7.94 -0.67 -2.53 117.00 124.96 1v5n n LEU 42 Ca -0.04 0.24 -0.33 0.00 -1.11 0.00 0.00 56.01 54.76 1v5n n LEU 42 Cb 0.43 -0.76 -0.12 0.00 0.53 0.00 0.00 43.42 43.49 1v5n n LEU 42 CO 0.16 -0.61 -0.40 -0.89 -1.11 0.00 0.00 177.39 174.53 1v5n s THR 43 N 6.97 3.47 0.04 1.96 2.01 0.10 -4.87 115.64 125.32 1v5n s THR 43 Ca 1.10 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 1v5n s THR 43 Cb -1.09 -2.44 -0.08 0.00 0.01 0.00 0.00 72.50 68.91 1v5n s THR 43 CO 0.44 0.56 1.69 -0.13 -0.69 0.00 0.00 174.62 176.48 1v5n s ARG 44 N -0.27 4.19 -0.04 4.92 1.81 -1.26 -2.17 118.95 126.11 1v5n s ARG 44 Ca 0.03 2.33 -0.02 0.00 -1.72 0.00 0.00 55.73 56.34 1v5n s ARG 44 Cb -0.13 -3.76 0.02 0.00 -0.45 0.00 0.00 34.95 30.64 1v5n s ARG 44 CO 0.03 -0.79 0.10 0.08 -0.68 0.00 0.00 175.30 174.04 1v5n s VAL 45 N 3.19 -0.03 0.04 3.52 1.01 -1.26 -4.92 120.40 121.94 1v5n s VAL 45 Ca 0.75 0.11 -0.25 0.00 0.00 0.00 0.00 61.98 62.59 1v5n s VAL 45 Cb -0.38 -0.17 -0.17 0.00 0.00 0.00 0.00 36.38 35.65 1v5n s VAL 45 CO 0.33 0.04 1.46 -0.61 0.00 0.00 0.00 175.10 176.32 1v5n h GLN 46 N 6.72 -0.21 -2.66 2.72 4.15 -1.94 0.60 115.11 124.50 1v5n h GLN 46 Ca -0.36 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 58.97 1v5n h GLN 46 Cb 1.16 0.05 -0.22 0.00 0.21 0.00 0.00 27.48 28.68 1v5n h GLN 46 CO 0.45 0.04 -0.15 0.08 -1.93 0.00 0.00 178.83 177.32 1v5n s VAL 47 N -5.23 0.02 0.22 2.39 1.01 -1.26 -3.58 120.40 113.97 1v5n s VAL 47 Ca -0.15 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 1v5n s VAL 47 Cb 0.03 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.75 1v5n s VAL 47 CO 0.63 -0.08 0.42 0.00 0.00 0.00 0.00 175.10 176.06 1v5n n TYR 48 N 2.03 -1.65 -3.92 5.22 4.11 -1.23 -5.00 117.16 116.72 1v5n n TYR 48 Ca -0.17 -1.11 -0.30 0.00 -0.00 0.00 0.00 57.90 56.32 1v5n n TYR 48 Cb 0.57 0.49 -0.15 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 1.50 0.15 -3.48 2.01 -1.26 -3.54 115.64 108.50 1v5n s THR 49 Ca 0.10 -1.36 -0.31 0.00 0.31 0.00 0.00 61.69 60.43 1v5n s THR 49 Cb -0.02 -1.86 -0.10 0.00 0.01 0.00 0.00 72.50 70.52 1v5n s THR 49 CO 0.08 -0.24 1.73 0.00 -0.69 0.00 0.00 174.62 175.50 1v5n n ASP 51 N 4.91 4.76 0.08 0.00 2.03 -1.25 -2.75 116.55 124.32 1v5n n ASP 51 Ca 0.16 -3.18 0.00 0.00 0.52 0.00 0.00 54.79 52.29 1v5n n ASP 51 Cb 0.38 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 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 -0.45 0.00 0.00 -0.67 4.81 -1.26 -4.85 118.16 115.74 1v5n n LYS 52 Ca 0.41 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.95 1v5n n LYS 52 Cb 1.05 -0.31 0.08 0.00 0.02 0.00 0.00 35.03 35.87 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 1.08 -4.79 -2.87 0.00 1.02 -1.11 -5.04 120.64 108.92 1v5n n GLU 54 Ca 0.11 0.61 -0.10 0.00 -0.02 0.00 0.00 57.16 57.77 1v5n n GLU 54 Cb 0.49 -4.93 -0.02 0.00 -0.02 0.00 0.00 31.44 26.95 1v5n n GLU 54 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1v5n n GLU 55 N -3.26 1.09 -3.88 3.49 -0.58 -1.23 -4.92 120.64 111.35 1v5n n GLU 55 Ca -0.21 -1.24 -0.25 0.00 -0.42 0.00 0.00 57.16 55.04 1v5n n GLU 55 Cb 0.62 0.54 -0.17 0.00 -0.57 0.00 0.00 31.44 31.86 1v5n n GLU 55 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1v5n s GLU 56 N -2.58 1.23 0.74 3.49 2.12 -1.26 0.83 118.70 123.28 1v5n s GLU 56 Ca 0.05 -0.14 -0.02 0.00 0.36 0.00 0.00 54.97 55.21 1v5n s GLU 56 Cb 0.00 -1.38 0.13 0.00 0.26 0.00 0.00 34.13 33.15 1v5n s GLU 56 CO 0.03 -0.27 1.02 0.20 -0.54 0.00 0.00 175.26 175.71 1v5n s GLY 57 N 1.76 1.76 -0.14 -1.50 0.00 -1.23 -4.90 107.32 103.06 1v5n s GLY 57 Ca 0.04 -1.70 -0.17 0.00 0.00 0.00 0.00 44.72 42.89 1v5n s GLY 57 CO -0.07 -1.11 0.46 -0.51 0.00 0.00 0.00 173.10 171.87 1v5n s THR 58 N -3.21 0.01 -0.88 0.90 -4.23 -1.26 -3.55 115.64 103.42 1v5n s THR 58 Ca 0.67 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1v5n s THR 58 Cb -0.05 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 73.11 1v5n s THR 58 CO 0.45 -0.04 0.00 -0.38 -0.54 0.00 0.00 174.62 174.11 1v5n n ILE 59 N 2.40 -0.22 -3.63 2.99 2.08 0.21 -4.82 119.36 118.37 1v5n n ILE 59 Ca -0.15 0.00 0.02 0.00 0.56 0.00 0.00 62.75 63.18 1v5n n ILE 59 Cb 0.57 -1.10 -0.06 0.00 -0.75 0.00 0.00 39.64 38.30 1v5n n ILE 59 CO 0.00 0.00 0.00 0.26 0.56 0.00 0.00 176.55 177.37 1v5n s TRP 60 N -2.12 -0.11 -0.30 1.39 0.23 -1.16 -4.64 118.94 112.22 1v5n s TRP 60 Ca 0.00 0.23 -0.16 0.00 -2.03 0.00 0.00 56.10 54.14 1v5n s TRP 60 Cb 0.00 0.07 0.16 0.00 0.03 0.00 0.00 33.47 33.73 1v5n s TRP 60 CO 0.00 -0.06 1.02 0.45 0.96 0.00 0.00 176.95 179.32 1v5n s SER 61 N 1.12 -0.50 -0.68 2.95 0.15 -0.92 -4.69 113.70 111.13 1v5n s SER 61 Ca -0.08 0.71 -0.26 0.00 0.70 0.00 0.00 55.95 57.02 1v5n s SER 61 Cb -0.02 1.48 -0.01 0.00 -1.71 0.00 0.00 66.02 65.76 1v5n s SER 61 CO -0.10 -0.10 1.72 -0.31 1.20 0.00 0.00 173.24 175.64 1v5n s TYR 62 N 2.09 1.84 0.07 3.44 2.02 -0.62 0.01 117.35 126.21 1v5n s TYR 62 Ca -0.04 0.53 0.02 0.00 -0.37 0.00 0.00 57.07 57.21 1v5n s TYR 62 Cb -0.05 -4.23 -0.04 0.00 -0.40 0.00 0.00 41.96 37.24 1v5n s TYR 62 CO -0.16 -2.20 0.12 -1.58 -1.57 0.00 0.00 175.55 170.15 1v5n s HIS 63 N 8.25 3.29 -0.18 2.71 5.65 -1.05 -1.91 115.29 132.05 1v5n s HIS 63 Ca 0.59 0.13 -0.00 0.00 0.25 0.00 0.00 55.06 56.03 1v5n s HIS 63 Cb -0.11 -1.66 0.01 0.00 -1.18 0.00 0.00 32.58 29.64 1v5n s HIS 63 CO 0.17 0.54 -0.16 0.00 -0.65 0.00 0.00 174.74 174.64 1v5n n ASP 65 N 4.48 3.65 0.00 0.00 2.03 -1.26 -0.23 116.55 125.22 1v5n n ASP 65 Ca -0.20 -2.08 0.00 0.00 0.52 0.00 0.00 54.79 53.03 1v5n n ASP 65 Cb 0.51 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 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 0.84 0.24 0.00 -0.67 2.13 -1.26 -4.91 120.64 117.00 1v5n n GLU 66 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1v5n n GLU 66 Cb 0.49 -0.63 0.00 0.00 0.27 0.00 0.00 31.44 31.57 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 -0.85 -2.42 -4.63 0.00 8.00 0.67 -5.01 116.55 112.32 1v5n n ASP 68 Ca 0.00 -0.15 -0.38 0.00 0.71 0.00 0.00 54.79 54.97 1v5n n ASP 68 Cb 0.00 -1.65 -0.09 0.00 -0.02 0.00 0.00 41.12 39.36 1v5n n ASP 68 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1v5n s PHE 69 N -3.09 3.29 -0.05 1.24 5.36 -1.26 -4.79 117.98 118.68 1v5n s PHE 69 Ca 0.06 0.43 -0.01 0.00 -0.96 0.00 0.00 56.93 56.44 1v5n s PHE 69 Cb -0.02 -2.51 -0.04 0.00 -0.34 0.00 0.00 43.02 40.11 1v5n s PHE 69 CO 0.18 -0.13 0.05 -0.51 -1.46 0.00 0.00 175.22 173.34 1v5n s ASP 70 N 1.43 5.51 0.34 6.13 1.11 -1.23 -2.51 116.67 127.45 1v5n s ASP 70 Ca 0.15 0.16 -0.02 0.00 0.18 0.00 0.00 52.55 53.02 1v5n s ASP 70 Cb -0.15 -1.58 0.00 0.00 1.07 0.00 0.00 42.92 42.26 1v5n s ASP 70 CO 0.09 0.33 0.47 -0.76 1.18 0.00 0.00 175.17 176.48 1v5n s LEU 71 N -1.29 1.02 0.20 1.23 1.43 -0.80 -3.83 118.68 116.64 1v5n s LEU 71 Ca 0.18 -1.48 -0.05 0.00 -1.03 0.00 0.00 54.13 51.74 1v5n s LEU 71 Cb -0.12 1.45 -0.06 0.00 0.03 0.00 0.00 46.19 47.49 1v5n s LEU 71 CO 0.08 -1.29 0.46 -1.00 0.23 0.00 0.00 176.35 174.82 1v5n s HIS 72 N -3.08 3.46 0.20 0.29 3.76 -1.26 -1.59 115.29 117.08 1v5n s HIS 72 Ca 0.31 0.62 -0.10 0.00 -0.15 0.00 0.00 55.06 55.74 1v5n s HIS 72 Cb -0.00 -2.07 0.21 0.00 1.11 0.00 0.00 32.58 31.83 1v5n s HIS 72 CO 0.20 0.33 1.81 0.00 -0.85 0.00 0.00 174.74 176.23 1v5n h ALA 73 N 2.39 0.85 0.00 -1.40 0.00 -1.96 -0.32 119.26 118.82 1v5n h ALA 73 Ca -0.47 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1v5n h ALA 73 Cb 1.17 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.84 1v5n h ALA 73 CO 0.70 0.05 -0.47 1.57 0.00 0.00 0.00 179.25 181.10 1v5n h LYS 74 N 0.68 0.32 -0.55 0.00 2.10 -1.99 -2.73 116.57 114.39 1v5n h LYS 74 Ca 0.28 -0.34 0.10 0.00 -2.00 0.00 0.00 60.65 58.69 1v5n h LYS 74 Cb 0.14 0.10 -0.08 0.00 -0.90 0.00 0.00 32.23 31.49 1v5n h LYS 74 CO -0.16 1.04 0.10 0.00 -2.00 0.00 0.00 179.45 178.43 1v5n h ALA 76 N 1.45 0.30 -0.08 0.00 0.00 -1.14 -3.19 119.26 116.60 1v5n h ALA 76 Ca 0.28 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1v5n h ALA 76 Cb 0.41 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1v5n h ALA 76 CO -0.38 -0.03 -0.23 -0.07 0.00 0.00 0.00 179.25 178.54 1v5n h LEU 77 N 0.18 -0.70-10.49 0.00 3.38 -1.04 -3.43 115.31 103.20 1v5n h LEU 77 Ca 0.07 0.11 -0.46 0.00 0.09 0.00 0.00 57.88 57.69 1v5n h LEU 77 Cb 0.31 0.30 0.13 0.00 0.09 0.00 0.00 40.66 41.49 1v5n h LEU 77 CO 0.00 -0.29 0.30 0.54 0.09 0.00 0.00 178.44 179.09 1v5n s ASN 78 N -4.96 3.53 0.05 -0.43 2.20 -0.17 -5.05 114.94 110.11 1v5n s ASN 78 Ca -0.15 0.96 -0.01 0.00 -0.94 0.00 0.00 52.86 52.73 1v5n s ASN 78 Cb 0.10 -1.54 -0.00 0.00 -2.00 0.00 0.00 41.25 37.81 1v5n s ASN 78 CO 0.67 -2.54 -0.01 -0.62 -2.94 0.00 0.00 177.10 171.66 1v5n n GLU 79 N -3.76 0.02 -3.81 3.55 4.71 -1.26 -4.89 120.64 115.20 1v5n n GLU 79 Ca 0.07 0.01 -0.30 0.00 -0.01 0.00 0.00 57.16 56.93 1v5n n GLU 79 Cb 0.59 -0.32 -0.13 0.00 -1.01 0.00 0.00 31.44 30.57 1v5n n GLU 79 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1v5n s ASP 80 N -5.52 3.94 -0.28 1.62 1.11 -1.26 -4.93 116.67 111.35 1v5n s ASP 80 Ca -0.01 -2.82 0.15 0.00 0.18 0.00 0.00 52.55 50.05 1v5n s ASP 80 Cb 0.00 -1.30 0.48 0.00 1.07 0.00 0.00 42.92 43.18 1v5n s ASP 80 CO 0.02 -0.25 1.14 1.07 1.18 0.00 0.00 175.17 178.33 1v5n n THR 81 N 3.32 1.90 -0.13 -1.27 5.66 -1.26 -4.43 114.28 118.07 1v5n n THR 81 Ca 0.07 -3.60 -0.26 0.00 -3.05 0.00 0.00 64.05 57.21 1v5n n THR 81 Cb 0.34 0.05 -0.09 0.00 -1.55 0.00 0.00 70.33 69.07 1v5n n THR 81 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1v5n n LYS 82 N -0.63 0.58 0.11 1.09 3.00 -1.26 -4.98 118.16 116.06 1v5n n LYS 82 Ca 0.26 0.28 0.00 0.00 -0.00 0.00 0.00 58.31 58.85 1v5n n LYS 82 Cb 0.88 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.40 1v5n n LYS 82 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1v5n n GLU 83 N -4.30 0.00 -2.98 1.64 2.13 -1.26 -5.13 120.64 110.74 1v5n n GLU 83 Ca -0.46 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.16 1v5n n GLU 83 Cb 0.81 -0.14 0.06 0.00 0.27 0.00 0.00 31.44 32.44 1v5n n GLU 83 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1v5n s SER 84 N -5.20 5.13 0.00 4.31 0.01 -1.26 -5.14 113.70 111.55 1v5n s SER 84 Ca 0.00 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1v5n s SER 84 Cb 0.00 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1v5n s SER 84 CO 0.00 -1.29 0.00 0.61 0.41 0.00 0.00 173.24 172.97 1v5n n GLY 85 N -2.24 4.48 3.61 3.44 0.00 -1.26 -4.35 105.19 108.87 1v5n n GLY 85 Ca 0.14 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 1v5n n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v5n s PRO 86 N 0.02 3.56 -0.10 1.61 0.04 -1.26 -4.98 135.00 133.89 1v5n s PRO 86 Ca 0.00 1.44 -0.09 0.00 0.04 0.00 0.00 61.00 62.39 1v5n s PRO 86 Cb 0.00 -4.11 0.03 0.00 0.04 0.00 0.00 34.50 30.46 1v5n s PRO 86 CO 0.00 -1.59 0.26 0.45 0.04 0.00 0.00 177.00 176.16 1v5n s SER 87 N 5.00 -0.27 -0.22 6.66 0.15 -1.26 -5.14 113.70 118.62 1v5n s SER 87 Ca 0.74 0.52 -0.01 0.00 0.70 0.00 0.00 55.95 57.90 1v5n s SER 87 Cb -0.22 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 64.63 1v5n s SER 87 CO 0.32 -0.09 -0.11 -0.94 1.20 0.00 0.00 173.24 173.61 1v5n s SER 88 N 0.17 3.88 0.00 5.45 1.04 -1.26 -5.30 113.70 117.68 1v5n s SER 88 Ca -0.00 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1v5n s SER 88 Cb -0.02 -1.61 0.00 0.00 0.10 0.00 0.00 66.02 64.49 1v5n s SER 88 CO 0.00 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.77