#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 -0.52 0.30 1.61 1.04 -1.26 -5.19 113.70 109.69 1v5n s SER 2 Ca 0.00 0.53 -0.07 0.00 0.48 0.00 0.00 55.95 56.89 1v5n s SER 2 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1v5n s SER 2 CO 0.00 -0.50 0.47 -0.44 0.98 0.00 0.00 173.24 173.75 1v5n s SER 3 N -1.25 0.44 0.15 7.02 0.01 -1.26 -5.18 113.70 113.64 1v5n s SER 3 Ca -0.06 -1.26 0.09 0.00 1.31 0.00 0.00 55.95 56.03 1v5n s SER 3 Cb -0.00 0.63 -0.04 0.00 0.21 0.00 0.00 66.02 66.82 1v5n s SER 3 CO 0.05 -1.24 -0.15 -0.83 0.41 0.00 0.00 173.24 171.48 1v5n s GLY 4 N -3.14 1.72 0.59 3.44 0.00 -1.26 -5.13 107.32 103.53 1v5n s GLY 4 Ca 0.27 -1.43 -0.13 0.00 0.00 0.00 0.00 44.72 43.43 1v5n s GLY 4 CO 0.15 -1.44 1.02 -0.45 0.00 0.00 0.00 173.10 172.38 1v5n s SER 5 N -2.48 6.26 0.10 1.64 0.15 -1.26 -5.09 113.70 113.02 1v5n s SER 5 Ca 0.21 1.51 0.03 0.00 0.70 0.00 0.00 55.95 58.40 1v5n s SER 5 Cb -0.10 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1v5n s SER 5 CO 0.12 -0.85 -0.09 -0.55 1.20 0.00 0.00 173.24 173.08 1v5n s SER 6 N -3.68 1.37 0.21 5.45 0.15 -1.26 -5.17 113.70 110.77 1v5n s SER 6 Ca 0.57 -0.91 0.03 0.00 0.70 0.00 0.00 55.95 56.34 1v5n s SER 6 Cb -0.11 0.04 -0.01 0.00 -1.71 0.00 0.00 66.02 64.23 1v5n s SER 6 CO 0.45 -0.35 0.11 0.61 1.20 0.00 0.00 173.24 175.26 1v5n n GLY 7 N 0.22 3.54 3.24 9.45 0.00 -1.26 -5.18 105.19 115.19 1v5n n GLY 7 Ca -0.14 -1.94 -0.14 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.54 0.09 1.15 2.61 -4.23 -1.26 -5.16 115.64 106.30 1v5n s THR 8 Ca 0.16 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.49 1v5n s THR 8 Cb 0.01 -2.51 0.20 0.00 1.34 0.00 0.00 72.50 71.54 1v5n s THR 8 CO 0.11 0.00 0.38 1.21 -0.54 0.00 0.00 174.62 175.78 1v5n n GLU 9 N -0.38 -2.62 0.06 3.99 2.13 -1.26 -5.02 120.64 117.54 1v5n n GLU 9 Ca 0.03 -0.77 0.00 0.00 0.66 0.00 0.00 57.16 57.08 1v5n n GLU 9 Cb 0.65 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.69 1v5n n GLU 9 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1v5n n GLU 10 N -2.88 0.00 -3.29 5.31 -0.58 -1.26 -4.91 120.64 113.03 1v5n n GLU 10 Ca 0.05 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.42 1v5n n GLU 10 Cb 0.49 -0.44 -0.03 0.00 -0.57 0.00 0.00 31.44 30.89 1v5n n GLU 10 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1v5n n ARG 11 N -3.49 3.46 -1.45 3.49 1.74 -1.26 -5.02 116.66 114.13 1v5n n ARG 11 Ca 0.00 -4.56 -0.45 0.00 -0.77 0.00 0.00 57.85 52.07 1v5n n ARG 11 Cb 0.00 -2.43 -0.14 0.00 -1.02 0.00 0.00 32.46 28.88 1v5n n ARG 11 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1v5n n LEU 12 N 1.54 0.52 -0.02 0.55 7.99 -1.26 -4.80 117.00 121.53 1v5n n LEU 12 Ca 0.26 0.26 -0.01 0.00 -0.01 0.00 0.00 56.01 56.51 1v5n n LEU 12 Cb 0.37 -0.95 -0.00 0.00 -0.11 0.00 0.00 43.42 42.72 1v5n n LEU 12 CO 0.54 -0.77 -0.06 0.11 -1.51 0.00 0.00 177.39 175.70 1v5n h LYS 13 N 11.74 0.00 0.39 3.23 1.57 -2.00 -3.35 116.57 128.14 1v5n h LYS 13 Ca -0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1v5n h LYS 13 Cb 1.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.62 1v5n h LYS 13 CO 1.31 0.00 -0.39 1.49 -0.57 0.00 0.00 179.45 181.29 1v5n h GLU 14 N -0.27 -0.77 -0.74 3.15 4.81 -2.00 -2.75 114.58 116.01 1v5n h GLU 14 Ca 0.00 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.40 1v5n h GLU 14 Cb 0.09 0.17 -0.12 0.00 0.63 0.00 0.00 28.75 29.52 1v5n h GLU 14 CO 0.00 -0.51 -0.26 -0.89 -0.73 0.00 0.00 179.01 176.62 1v5n n ILE 15 N -5.49 -0.37 -0.06 2.32 2.08 -1.26 0.13 119.36 116.71 1v5n n ILE 15 Ca -0.10 1.72 -0.08 0.00 0.56 0.00 0.00 62.75 64.85 1v5n n ILE 15 Cb 0.39 -2.30 -0.01 0.00 -0.75 0.00 0.00 39.64 36.97 1v5n n ILE 15 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1v5n h GLU 16 N 0.00 0.13 -0.89 0.38 5.08 -1.63 -2.10 114.58 115.55 1v5n h GLU 16 Ca 0.28 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.77 1v5n h GLU 16 Cb 0.47 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.60 1v5n h GLU 16 CO -0.74 0.08 0.51 0.00 -1.00 0.00 0.00 179.01 177.86 1v5n h ALA 17 N 1.19 1.34 -0.71 3.43 0.00 0.13 -0.83 119.26 123.82 1v5n h ALA 17 Ca 0.12 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1v5n h ALA 17 Cb 0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1v5n h ALA 17 CO -0.17 0.03 0.38 0.87 0.00 0.00 0.00 179.25 180.36 1v5n h LYS 18 N 0.76 0.66 0.03 0.00 1.79 -0.46 -2.10 116.57 117.23 1v5n h LYS 18 Ca 0.47 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.90 1v5n h LYS 18 Cb 0.57 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1v5n h LYS 18 CO -0.32 0.43 -0.01 1.88 -1.08 0.00 0.00 179.45 180.36 1v5n h TYR 19 N 0.68 -0.03 -1.04 -1.35 0.05 -0.99 -2.97 116.97 111.32 1v5n h TYR 19 Ca 0.33 -0.00 0.27 0.00 0.05 0.00 0.00 58.73 59.38 1v5n h TYR 19 Cb 0.28 0.01 -0.10 0.00 1.01 0.00 0.00 36.73 37.93 1v5n h TYR 19 CO -0.09 0.28 0.66 -0.44 -1.05 0.00 0.00 178.16 177.52 1v5n h ASP 20 N -0.35 0.50 0.06 3.88 3.32 -0.95 0.74 116.42 123.62 1v5n h ASP 20 Ca -0.00 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1v5n h ASP 20 Cb 0.33 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1v5n h ASP 20 CO 0.01 0.08 -0.05 -0.08 -1.72 0.00 0.00 179.24 177.48 1v5n h GLU 21 N 0.43 0.00 0.06 3.56 4.81 -1.22 0.82 114.58 123.05 1v5n h GLU 21 Ca 0.62 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.59 1v5n h GLU 21 Cb 1.47 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.83 1v5n h GLU 21 CO -0.35 0.05 -1.27 0.82 -0.73 0.00 0.00 179.01 177.53 1v5n h ILE 22 N 0.00 1.43 -0.74 2.32 2.04 0.43 -3.32 117.51 119.67 1v5n h ILE 22 Ca -0.00 -3.10 -0.46 0.00 1.00 0.00 0.00 64.86 62.30 1v5n h ILE 22 Cb 0.09 2.81 -0.26 0.00 -0.74 0.00 0.00 36.82 38.71 1v5n h ILE 22 CO 0.01 0.86 0.19 0.00 0.00 0.00 0.00 178.15 179.21 1v5n n ALA 23 N -2.50 5.29 -0.19 1.87 0.00 -0.76 -4.65 120.51 119.58 1v5n n ALA 23 Ca -0.08 -3.32 -0.10 0.00 0.00 0.00 0.00 53.44 49.94 1v5n n ALA 23 Cb 1.00 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 19.37 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 1.51 0.98 0.00 0.00 1.57 -0.97 -3.21 116.57 116.46 1v5n h LYS 24 Ca 0.44 -0.33 -0.28 0.00 -1.87 0.00 0.00 60.65 58.62 1v5n h LYS 24 Cb 1.63 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.81 1v5n h LYS 24 CO 0.95 1.00 -1.81 -0.25 -0.57 0.00 0.00 179.45 178.76 1v5n n ASP 25 N -4.24 0.66 -4.65 0.86 8.00 -1.26 -4.93 116.55 111.00 1v5n n ASP 25 Ca 0.02 0.31 -0.55 0.00 0.71 0.00 0.00 54.79 55.28 1v5n n ASP 25 Cb 0.35 0.25 -0.07 0.00 -0.02 0.00 0.00 41.12 41.63 1v5n n ASP 25 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1v5n n TRP 26 N -2.94 1.77 -2.09 1.24 7.02 -1.21 -4.91 117.44 116.32 1v5n n TRP 26 Ca -0.19 0.59 -0.34 0.00 -1.02 0.00 0.00 57.50 56.54 1v5n n TRP 26 Cb 1.03 -2.39 0.02 0.00 -2.42 0.00 0.00 31.31 27.54 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 1.96 3.17 0.20 -0.99 0.04 -1.26 -4.96 135.00 133.17 1v5n s PRO 27 Ca 0.91 1.54 0.04 0.00 0.04 0.00 0.00 61.00 63.53 1v5n s PRO 27 Cb -1.01 -1.99 0.12 0.00 0.04 0.00 0.00 34.50 31.67 1v5n s PRO 27 CO 0.56 -0.98 1.47 0.87 0.04 0.00 0.00 177.00 178.96 1v5n h LYS 28 N 0.81 0.21 -4.74 4.56 1.79 -1.94 -3.42 116.57 113.84 1v5n h LYS 28 Ca -0.49 -0.18 -0.60 0.00 -2.18 0.00 0.00 60.65 57.20 1v5n h LYS 28 Cb 1.26 0.04 -0.35 0.00 -1.58 0.00 0.00 32.23 31.60 1v5n h LYS 28 CO 0.56 0.85 -0.84 0.15 -1.08 0.00 0.00 179.45 179.10 1v5n s LYS 29 N -3.48 2.33 -0.02 3.15 -0.14 -1.26 -2.09 119.74 118.23 1v5n s LYS 29 Ca -0.03 -0.59 0.07 0.00 -1.36 0.00 0.00 55.97 54.06 1v5n s LYS 29 Cb 0.11 -2.06 -0.02 0.00 -1.68 0.00 0.00 37.83 34.18 1v5n s LYS 29 CO 0.81 -0.15 -0.22 0.54 -0.76 0.00 0.00 175.35 175.57 1v5n s VAL 30 N 1.24 2.41 -0.93 3.17 0.11 -0.74 -4.91 120.40 120.76 1v5n s VAL 30 Ca -0.00 -1.00 -0.09 0.00 -2.93 0.00 0.00 61.98 57.95 1v5n s VAL 30 Cb -0.14 -1.89 0.24 0.00 -1.53 0.00 0.00 36.38 33.06 1v5n s VAL 30 CO -0.07 0.56 0.87 -0.75 -3.33 0.00 0.00 175.10 172.39 1v5n s LYS 31 N -0.72 3.68 0.68 1.54 2.47 -1.26 0.74 119.74 126.86 1v5n s LYS 31 Ca 0.11 -2.91 -0.14 0.00 -1.56 0.00 0.00 55.97 51.46 1v5n s LYS 31 Cb -0.10 -4.33 0.01 0.00 -1.46 0.00 0.00 37.83 31.95 1v5n s LYS 31 CO -0.00 -1.25 1.11 -1.58 0.16 0.00 0.00 175.35 173.79 1v5n s HIS 32 N -0.68 2.58 -0.04 4.03 5.65 -1.26 -4.83 115.29 120.73 1v5n s HIS 32 Ca 0.24 1.56 -0.26 0.00 0.25 0.00 0.00 55.06 56.85 1v5n s HIS 32 Cb -0.11 -3.17 -0.21 0.00 -1.18 0.00 0.00 32.58 27.91 1v5n s HIS 32 CO -0.09 -1.76 1.17 -0.24 -0.65 0.00 0.00 174.74 173.18 1v5n h VAL 33 N -0.12 1.47 0.00 0.89 3.04 -1.95 0.92 116.25 120.50 1v5n h VAL 33 Ca -0.46 -1.41 -0.01 0.00 -1.01 0.00 0.00 66.70 63.80 1v5n h VAL 33 Cb 1.25 2.40 -0.00 0.00 -2.01 0.00 0.00 31.29 32.92 1v5n h VAL 33 CO 0.53 0.37 -0.04 -0.07 -1.01 0.00 0.00 177.57 177.36 1v5n h LEU 34 N -0.54 0.00 -2.98 3.16 3.38 -2.00 -1.98 115.31 114.35 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 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1v5n h LEU 34 CO 0.01 0.04 -0.18 1.57 0.09 0.00 0.00 178.44 179.96 1v5n n HIS 35 N -3.88 0.00 -0.31 1.13 -0.00 -1.19 -4.81 115.22 106.16 1v5n n HIS 35 Ca -0.03 -1.13 0.30 0.00 0.46 0.00 0.00 57.72 57.32 1v5n n HIS 35 Cb 0.13 -0.18 0.55 0.00 -0.12 0.00 0.00 29.99 30.37 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 -1.28 -0.05 -0.25 1.57 0.28 0.32 -0.26 120.64 120.96 1v5n n GLU 36 Ca 0.17 1.24 0.10 0.00 -0.16 0.00 0.00 57.16 58.51 1v5n n GLU 36 Cb 0.66 -2.26 0.20 0.00 1.43 0.00 0.00 31.44 31.48 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 -4.99 -0.06 -4.06 3.44 4.71 -1.26 -4.52 120.64 113.90 1v5n n GLU 37 Ca 0.35 1.10 -0.09 0.00 -0.01 0.00 0.00 57.16 58.51 1v5n n GLU 37 Cb 1.21 -1.74 -0.09 0.00 -1.01 0.00 0.00 31.44 29.81 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 -5.67 0.60 -0.31 -0.32 3.76 0.64 -5.14 115.29 108.85 1v5n s HIS 38 Ca -0.10 -1.02 -0.16 0.00 -0.15 0.00 0.00 55.06 53.63 1v5n s HIS 38 Cb 0.21 -0.32 -0.02 0.00 1.11 0.00 0.00 32.58 33.56 1v5n s HIS 38 CO 0.57 -0.54 0.42 -1.21 -0.85 0.00 0.00 174.74 173.14 1v5n s GLU 39 N -3.98 3.81 1.14 1.40 8.01 -1.26 -4.46 118.70 123.36 1v5n s GLU 39 Ca 0.17 -0.10 -0.16 0.00 0.01 0.00 0.00 54.97 54.89 1v5n s GLU 39 Cb 0.06 -3.73 0.18 0.00 -4.31 0.00 0.00 34.13 26.34 1v5n s GLU 39 CO -0.03 -0.44 0.47 1.28 0.01 0.00 0.00 175.26 176.56 1v5n n LEU 40 N 5.48 -1.76 -3.75 1.80 7.99 0.23 -4.54 117.00 122.43 1v5n n LEU 40 Ca -0.07 -0.11 -0.29 0.00 -0.01 0.00 0.00 56.01 55.52 1v5n n LEU 40 Cb 0.50 -1.11 -0.15 0.00 -0.11 0.00 0.00 43.42 42.55 1v5n n LEU 40 CO 0.40 -3.19 -0.34 -0.70 -1.51 0.00 0.00 177.39 172.05 1v5n s GLU 41 N -3.88 0.78 -0.63 3.23 2.12 0.10 -1.78 118.70 118.65 1v5n s GLU 41 Ca 0.62 -0.97 -0.22 0.00 0.36 0.00 0.00 54.97 54.76 1v5n s GLU 41 Cb -0.18 -2.07 -0.14 0.00 0.26 0.00 0.00 34.13 31.99 1v5n s GLU 41 CO 0.66 -0.90 1.75 -0.11 -0.54 0.00 0.00 175.26 176.12 1v5n n LEU 42 N 4.86 0.23 -4.61 2.70 7.94 -0.89 -2.61 117.00 124.63 1v5n n LEU 42 Ca -0.04 0.16 -0.34 0.00 -1.11 0.00 0.00 56.01 54.68 1v5n n LEU 42 Cb 0.43 -0.61 -0.11 0.00 0.53 0.00 0.00 43.42 43.66 1v5n n LEU 42 CO 0.12 -0.48 -0.35 -0.89 -1.11 0.00 0.00 177.39 174.68 1v5n s THR 43 N 5.75 3.94 -0.09 1.96 2.01 0.19 -4.87 115.64 124.53 1v5n s THR 43 Ca 0.89 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 62.21 1v5n s THR 43 Cb -0.86 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1v5n s THR 43 CO 0.34 0.59 1.26 -0.13 -0.69 0.00 0.00 174.62 175.99 1v5n s ARG 44 N -0.69 4.29 -0.04 4.92 1.81 -1.26 -1.05 118.95 126.92 1v5n s ARG 44 Ca 0.11 1.72 -0.03 0.00 -1.72 0.00 0.00 55.73 55.81 1v5n s ARG 44 Cb -0.11 -3.65 0.02 0.00 -0.45 0.00 0.00 34.95 30.76 1v5n s ARG 44 CO 0.02 -0.57 0.10 0.08 -0.68 0.00 0.00 175.30 174.25 1v5n s VAL 45 N 2.77 -0.02 0.04 3.52 1.01 -1.26 -4.92 120.40 121.54 1v5n s VAL 45 Ca 0.57 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.38 1v5n s VAL 45 Cb -0.25 -0.16 -0.17 0.00 0.00 0.00 0.00 36.38 35.80 1v5n s VAL 45 CO 0.20 0.03 1.52 -0.61 0.00 0.00 0.00 175.10 176.24 1v5n h GLN 46 N 6.52 -0.07 -2.67 2.72 4.15 -1.94 0.26 115.11 124.08 1v5n h GLN 46 Ca -0.33 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.00 1v5n h GLN 46 Cb 1.17 0.02 -0.20 0.00 0.21 0.00 0.00 27.48 28.68 1v5n h GLN 46 CO 0.45 0.14 -0.13 0.08 -1.93 0.00 0.00 178.83 177.44 1v5n s VAL 47 N -5.36 0.03 0.17 2.39 1.01 -1.26 -3.82 120.40 113.56 1v5n s VAL 47 Ca -0.14 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1v5n s VAL 47 Cb 0.04 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.73 1v5n s VAL 47 CO 0.65 -0.14 0.45 0.00 0.00 0.00 0.00 175.10 176.06 1v5n n TYR 48 N 1.49 -1.49 -3.90 5.22 4.11 -1.25 -5.00 117.16 116.34 1v5n n TYR 48 Ca -0.19 -0.87 -0.30 0.00 -0.00 0.00 0.00 57.90 56.54 1v5n n TYR 48 Cb 0.56 0.43 -0.16 0.00 -0.00 0.00 0.00 39.34 40.18 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 -2.46 1.33 0.60 -3.48 2.01 -1.26 -3.63 115.64 108.74 1v5n s THR 49 Ca 0.09 -1.10 -0.19 0.00 0.31 0.00 0.00 61.69 60.80 1v5n s THR 49 Cb -0.02 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1v5n s THR 49 CO 0.05 -0.14 1.25 0.00 -0.69 0.00 0.00 174.62 175.10 1v5n n ASP 51 N -1.55 3.65 0.03 0.00 9.92 -1.26 -3.62 116.55 123.71 1v5n n ASP 51 Ca 0.14 -3.30 0.00 0.00 -0.53 0.00 0.00 54.79 51.09 1v5n n ASP 51 Cb 0.48 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 1v5n n ASP 51 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1v5n n LYS 52 N -0.65 0.00 0.00 -1.24 4.81 -1.26 -4.81 118.16 115.01 1v5n n LYS 52 Ca 0.30 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.83 1v5n n LYS 52 Cb 1.06 -0.45 0.04 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 0.47 -1.84 -2.72 0.00 1.02 -1.24 -4.76 120.64 111.57 1v5n n GLU 54 Ca 0.09 0.76 -0.13 0.00 -0.02 0.00 0.00 57.16 57.86 1v5n n GLU 54 Cb 0.44 -5.15 -0.00 0.00 -0.02 0.00 0.00 31.44 26.70 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 -2.70 1.12 -4.53 3.49 1.02 -1.26 -4.87 120.64 112.92 1v5n n GLU 55 Ca -0.17 -1.72 -0.28 0.00 -0.02 0.00 0.00 57.16 54.97 1v5n n GLU 55 Cb 0.63 0.22 -0.17 0.00 -0.02 0.00 0.00 31.44 32.10 1v5n n GLU 55 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1v5n s GLU 56 N -3.10 2.25 0.69 3.49 2.12 -1.26 0.28 118.70 123.18 1v5n s GLU 56 Ca 0.14 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.89 1v5n s GLU 56 Cb -0.01 -1.88 0.14 0.00 0.26 0.00 0.00 34.13 32.63 1v5n s GLU 56 CO 0.09 -0.04 0.95 0.41 -0.54 0.00 0.00 175.26 176.13 1v5n n GLY 57 N 4.11 0.71 3.52 -1.50 0.00 -1.24 -4.93 105.19 105.87 1v5n n GLY 57 Ca -0.19 -2.04 -0.14 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.93 0.00 -1.10 2.61 -4.23 -1.26 -3.78 115.64 104.94 1v5n s THR 58 Ca 0.63 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 1v5n s THR 58 Cb -0.04 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.92 1v5n s THR 58 CO 0.42 -0.01 0.00 -0.38 -0.54 0.00 0.00 174.62 174.11 1v5n n ILE 59 N 2.40 -0.27 -3.65 2.99 2.08 0.90 -4.84 119.36 118.97 1v5n n ILE 59 Ca -0.15 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.15 1v5n n ILE 59 Cb 0.56 -1.37 -0.07 0.00 -0.75 0.00 0.00 39.64 38.01 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 -2.28 -0.07 -0.30 1.39 0.23 -1.19 -4.68 118.94 112.05 1v5n s TRP 60 Ca 0.00 0.15 -0.17 0.00 -2.03 0.00 0.00 56.10 54.05 1v5n s TRP 60 Cb 0.00 0.34 0.18 0.00 0.03 0.00 0.00 33.47 34.03 1v5n s TRP 60 CO 0.00 -0.03 1.18 -1.54 0.96 0.00 0.00 176.95 177.51 1v5n s SER 61 N 0.36 -0.25 -0.67 2.95 1.04 -0.22 -4.67 113.70 112.23 1v5n s SER 61 Ca 0.02 0.31 -0.26 0.00 0.48 0.00 0.00 55.95 56.51 1v5n s SER 61 Cb -0.04 1.27 -0.02 0.00 0.10 0.00 0.00 66.02 67.33 1v5n s SER 61 CO -0.14 -0.05 1.83 -0.31 0.98 0.00 0.00 173.24 175.55 1v5n s TYR 62 N 2.31 1.74 0.06 5.02 2.02 -0.77 0.54 117.35 128.27 1v5n s TYR 62 Ca -0.01 0.68 0.01 0.00 -0.37 0.00 0.00 57.07 57.38 1v5n s TYR 62 Cb -0.04 -4.13 -0.04 0.00 -0.40 0.00 0.00 41.96 37.36 1v5n s TYR 62 CO -0.15 -2.20 0.13 -1.58 -1.57 0.00 0.00 175.55 170.18 1v5n s HIS 63 N 8.96 3.32 -0.22 2.71 5.65 -1.07 -2.04 115.29 132.61 1v5n s HIS 63 Ca 0.65 0.16 -0.02 0.00 0.25 0.00 0.00 55.06 56.10 1v5n s HIS 63 Cb -0.11 -1.69 0.01 0.00 -1.18 0.00 0.00 32.58 29.61 1v5n s HIS 63 CO 0.16 0.55 -0.10 0.00 -0.65 0.00 0.00 174.74 174.71 1v5n n ASP 65 N 4.71 3.06 0.00 0.00 2.03 -1.26 -0.06 116.55 125.04 1v5n n ASP 65 Ca -0.19 -1.80 0.00 0.00 0.52 0.00 0.00 54.79 53.33 1v5n n ASP 65 Cb 0.50 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 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 0.92 0.00 0.00 -0.67 2.13 -1.26 -4.91 120.64 116.85 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 0.41 -0.61 0.00 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 -1.04 -2.26 -4.63 0.00 -0.08 0.92 -5.00 116.55 104.45 1v5n n ASP 68 Ca 0.00 -0.15 -0.38 0.00 -1.51 0.00 0.00 54.79 52.75 1v5n n ASP 68 Cb 0.00 -1.65 -0.09 0.00 2.34 0.00 0.00 41.12 41.71 1v5n n ASP 68 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1v5n s PHE 69 N -3.09 3.28 0.01 -0.67 5.36 -1.26 -4.79 117.98 116.83 1v5n s PHE 69 Ca 0.03 0.31 -0.00 0.00 -0.96 0.00 0.00 56.93 56.31 1v5n s PHE 69 Cb -0.02 -2.42 -0.04 0.00 -0.34 0.00 0.00 43.02 40.20 1v5n s PHE 69 CO 0.18 -0.09 0.11 -0.51 -1.46 0.00 0.00 175.22 173.45 1v5n s ASP 70 N 1.41 5.82 0.35 6.13 1.11 -1.23 -2.49 116.67 127.77 1v5n s ASP 70 Ca 0.11 0.17 -0.06 0.00 0.18 0.00 0.00 52.55 52.95 1v5n s ASP 70 Cb -0.15 -1.69 0.01 0.00 1.07 0.00 0.00 42.92 42.16 1v5n s ASP 70 CO 0.08 0.25 0.55 -0.76 1.18 0.00 0.00 175.17 176.47 1v5n s LEU 71 N -1.91 0.78 0.16 1.23 1.43 -0.87 -4.14 118.68 115.37 1v5n s LEU 71 Ca 0.25 -1.40 -0.01 0.00 -1.03 0.00 0.00 54.13 51.94 1v5n s LEU 71 Cb -0.12 1.79 -0.04 0.00 0.03 0.00 0.00 46.19 47.84 1v5n s LEU 71 CO 0.17 -1.39 0.35 -1.00 0.23 0.00 0.00 176.35 174.71 1v5n s HIS 72 N -2.89 3.49 0.19 0.29 3.76 -1.26 -1.85 115.29 117.00 1v5n s HIS 72 Ca 0.27 0.36 -0.12 0.00 -0.15 0.00 0.00 55.06 55.42 1v5n s HIS 72 Cb -0.02 -1.86 0.17 0.00 1.11 0.00 0.00 32.58 31.99 1v5n s HIS 72 CO 0.18 0.43 1.78 0.00 -0.85 0.00 0.00 174.74 176.28 1v5n h ALA 73 N 2.36 0.68 -0.07 -1.40 0.00 -1.97 -0.21 119.26 118.64 1v5n h ALA 73 Ca -0.47 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 1v5n h ALA 73 Cb 1.18 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1v5n h ALA 73 CO 0.70 -0.12 -0.55 1.57 0.00 0.00 0.00 179.25 180.86 1v5n h LYS 74 N 0.48 0.49 -0.42 0.00 2.10 -1.95 -2.17 116.57 115.10 1v5n h LYS 74 Ca 0.24 -0.44 0.08 0.00 -2.00 0.00 0.00 60.65 58.53 1v5n h LYS 74 Cb 0.19 0.10 -0.07 0.00 -0.90 0.00 0.00 32.23 31.56 1v5n h LYS 74 CO -0.19 1.07 0.02 0.00 -2.00 0.00 0.00 179.45 178.35 1v5n h ALA 76 N 1.36 0.63 0.02 0.00 0.00 -1.11 -3.22 119.26 116.95 1v5n h ALA 76 Ca 0.21 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1v5n h ALA 76 Cb 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1v5n h ALA 76 CO -0.33 0.65 -0.01 -0.07 0.00 0.00 0.00 179.25 179.49 1v5n h LEU 77 N 0.80 -0.03 -8.33 0.00 3.38 -0.68 -3.45 115.31 107.00 1v5n h LEU 77 Ca 0.10 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1v5n h LEU 77 Cb 0.83 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.46 1v5n h LEU 77 CO 0.07 0.04 -0.43 0.20 0.09 0.00 0.00 178.44 178.41 1v5n s ASN 78 N -5.22 0.10 -0.03 -0.43 0.01 0.90 -5.09 114.94 105.18 1v5n s ASN 78 Ca -0.13 -1.10 0.03 0.00 -0.71 0.00 0.00 52.86 50.95 1v5n s ASN 78 Cb 0.05 0.42 -0.00 0.00 0.41 0.00 0.00 41.25 42.14 1v5n s ASN 78 CO 0.66 -0.90 -0.13 -0.70 -1.51 0.00 0.00 177.10 174.53 1v5n s GLU 79 N -4.05 1.29 -0.00 -0.60 2.12 -1.26 -4.02 118.70 112.18 1v5n s GLU 79 Ca 0.26 -0.45 0.03 0.00 0.36 0.00 0.00 54.97 55.17 1v5n s GLU 79 Cb 0.04 -1.17 -0.04 0.00 0.26 0.00 0.00 34.13 33.22 1v5n s GLU 79 CO 0.06 0.19 0.07 -3.47 -0.54 0.00 0.00 175.26 171.57 1v5n n ASP 80 N 3.15 3.52 -3.64 -1.70 -0.08 -1.26 -5.04 116.55 111.51 1v5n n ASP 80 Ca -0.18 -0.11 -0.08 0.00 -1.51 0.00 0.00 54.79 52.91 1v5n n ASP 80 Cb 0.54 1.10 -0.07 0.00 2.34 0.00 0.00 41.12 45.03 1v5n n ASP 80 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1v5n s THR 81 N -2.01 0.00 -0.39 5.18 2.01 -1.26 -5.07 115.64 114.10 1v5n s THR 81 Ca -0.01 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.10 1v5n s THR 81 Cb 0.02 -1.00 0.44 0.00 0.01 0.00 0.00 72.50 71.97 1v5n s THR 81 CO 0.12 0.00 1.05 1.17 -0.69 0.00 0.00 174.62 176.27 1v5n n LYS 82 N 3.63 2.55 -4.47 4.92 4.81 -1.26 -4.97 118.16 123.38 1v5n n LYS 82 Ca -0.18 -4.02 -0.23 0.00 -0.87 0.00 0.00 58.31 53.02 1v5n n LYS 82 Cb 0.58 -1.86 -0.10 0.00 0.02 0.00 0.00 35.03 33.67 1v5n n LYS 82 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1v5n s GLU 83 N -3.39 1.74 -0.25 1.64 4.04 -1.26 -5.12 118.70 116.11 1v5n s GLU 83 Ca 0.40 -2.01 -0.25 0.00 0.04 0.00 0.00 54.97 53.15 1v5n s GLU 83 Cb 0.42 -0.71 -0.00 0.00 0.02 0.00 0.00 34.13 33.86 1v5n s GLU 83 CO -0.10 -0.32 0.85 -1.12 -1.84 0.00 0.00 175.26 172.73 1v5n s SER 84 N -3.52 6.84 -0.30 0.83 0.01 -1.26 -5.00 113.70 111.30 1v5n s SER 84 Ca 0.31 1.03 -0.03 0.00 1.31 0.00 0.00 55.95 58.57 1v5n s SER 84 Cb 0.06 -2.44 0.19 0.00 0.21 0.00 0.00 66.02 64.04 1v5n s SER 84 CO 0.15 -0.55 0.73 -0.83 0.41 0.00 0.00 173.24 173.15 1v5n s GLY 85 N 1.36 -0.91 0.23 3.44 0.00 -1.26 -5.15 107.32 105.04 1v5n s GLY 85 Ca 0.36 1.91 -0.30 0.00 0.00 0.00 0.00 44.72 46.69 1v5n s GLY 85 CO 0.08 3.59 1.28 2.56 0.00 0.00 0.00 173.10 180.61 1v5n s PRO 86 N 2.88 4.41 -0.25 2.90 0.04 -1.26 -4.94 135.00 138.79 1v5n s PRO 86 Ca 0.15 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.21 1v5n s PRO 86 Cb -0.12 -3.17 0.14 0.00 0.04 0.00 0.00 34.50 31.38 1v5n s PRO 86 CO -0.20 -0.18 0.39 0.45 0.04 0.00 0.00 177.00 177.50 1v5n s SER 87 N 0.06 0.16 -0.52 6.66 0.15 -1.26 -5.03 113.70 113.92 1v5n s SER 87 Ca 0.54 0.22 -0.02 0.00 0.70 0.00 0.00 55.95 57.39 1v5n s SER 87 Cb -0.36 1.18 0.29 0.00 -1.71 0.00 0.00 66.02 65.42 1v5n s SER 87 CO 0.41 -0.30 2.13 -1.54 1.20 0.00 0.00 173.24 175.14 1v5n n SER 88 N 5.37 7.03 0.00 5.45 3.41 -1.26 -4.87 113.62 128.75 1v5n n SER 88 Ca -0.03 -3.42 0.00 0.00 -0.26 0.00 0.00 58.87 55.15 1v5n n SER 88 Cb 0.50 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1v5n n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49