#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v31 n SER 2 N 0.00 2.85 0.01 1.61 2.88 -1.26 -4.51 113.62 115.20 1v31 n SER 2 Ca 0.00 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1v31 n SER 2 Cb 0.00 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.07 1v31 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v31 n SER 3 N 3.14 -0.26 0.00 -3.46 2.88 -1.26 -5.13 113.62 109.52 1v31 n SER 3 Ca 0.16 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1v31 n SER 3 Cb 0.28 0.63 0.00 0.00 -0.75 0.00 0.00 64.21 64.37 1v31 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v31 n GLY 4 N -1.04 0.87 3.77 0.46 0.00 -1.26 -5.13 105.19 102.86 1v31 n GLY 4 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 1v31 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v31 s SER 5 N -1.00 -0.17 0.74 1.61 0.01 -1.26 -5.16 113.70 108.47 1v31 s SER 5 Ca 0.00 -0.43 -0.12 0.00 1.31 0.00 0.00 55.95 56.71 1v31 s SER 5 Cb 0.00 0.50 0.04 0.00 0.21 0.00 0.00 66.02 66.77 1v31 s SER 5 CO 0.00 -0.93 1.10 -0.94 0.41 0.00 0.00 173.24 172.87 1v31 s SER 6 N -2.96 4.65 0.00 2.44 1.04 -1.26 -4.78 113.70 112.83 1v31 s SER 6 Ca 0.13 1.88 0.00 0.00 0.48 0.00 0.00 55.95 58.44 1v31 s SER 6 Cb -0.02 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1v31 s SER 6 CO 0.03 -1.94 0.00 0.61 0.98 0.00 0.00 173.24 172.92 1v31 n GLY 7 N -0.99 0.46 3.27 7.32 0.00 -1.26 -5.00 105.19 109.00 1v31 n GLY 7 Ca 0.09 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.19 1v31 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1v31 s VAL 8 N 0.00 1.77 0.00 1.61 1.01 -1.26 -5.15 120.40 118.38 1v31 s VAL 8 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.74 1v31 s VAL 8 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1v31 s VAL 8 CO 0.00 0.24 0.00 -0.81 0.00 0.00 0.00 175.10 174.53 1v31 n PRO 9 N 1.84 -0.24 -3.76 2.72 -0.04 -1.26 -5.08 135.00 129.17 1v31 n PRO 9 Ca -0.17 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.10 1v31 n PRO 9 Cb 0.53 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.82 1v31 n PRO 9 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1v31 s GLU 10 N -2.49 0.13 0.06 0.54 2.12 -1.26 -5.14 118.70 112.66 1v31 s GLU 10 Ca 0.00 0.23 -0.20 0.00 0.36 0.00 0.00 54.97 55.36 1v31 s GLU 10 Cb 0.00 -0.53 -0.06 0.00 0.26 0.00 0.00 34.13 33.79 1v31 s GLU 10 CO 0.00 -0.25 0.60 0.15 -0.54 0.00 0.00 175.26 175.22 1v31 s LYS 11 N 1.68 4.28 -0.16 4.30 1.02 -1.26 -4.02 119.74 125.59 1v31 s LYS 11 Ca -0.01 0.79 0.01 0.00 0.02 0.00 0.00 55.97 56.79 1v31 s LYS 11 Cb -0.13 -3.27 0.01 0.00 -0.52 0.00 0.00 37.83 33.92 1v31 s LYS 11 CO -0.03 0.54 -0.20 -0.06 -0.92 0.00 0.00 175.35 174.68 1v31 s PHE 12 N -0.81 2.74 0.45 3.18 0.40 0.13 -4.60 117.98 119.46 1v31 s PHE 12 Ca 0.31 -1.44 -0.22 0.00 -0.60 0.00 0.00 56.93 54.98 1v31 s PHE 12 Cb -0.20 -1.88 -0.11 0.00 0.51 0.00 0.00 43.02 41.34 1v31 s PHE 12 CO 0.19 -0.69 0.63 1.17 0.70 0.00 0.00 175.22 177.23 1v31 n LYS 13 N 4.34 0.69 -3.75 0.44 4.81 0.55 -3.62 118.16 121.63 1v31 n LYS 13 Ca -0.20 0.25 -0.34 0.00 -0.87 0.00 0.00 58.31 57.16 1v31 n LYS 13 Cb 0.51 -1.64 -0.05 0.00 0.02 0.00 0.00 35.03 33.87 1v31 n LYS 13 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1v31 s LEU 14 N 1.14 4.35 0.92 3.14 1.02 -0.73 -3.17 118.68 125.36 1v31 s LEU 14 Ca 0.64 0.55 -0.12 0.00 0.02 0.00 0.00 54.13 55.23 1v31 s LEU 14 Cb -0.57 -2.84 0.14 0.00 0.02 0.00 0.00 46.19 42.95 1v31 s LEU 14 CO 0.57 0.20 1.10 -0.44 0.02 0.00 0.00 176.35 177.80 1v31 s SER 15 N -1.91 3.31 0.34 2.29 0.01 -1.26 -4.70 113.70 111.79 1v31 s SER 15 Ca 0.31 1.30 0.02 0.00 1.31 0.00 0.00 55.95 58.88 1v31 s SER 15 Cb -0.13 -1.97 0.61 0.00 0.21 0.00 0.00 66.02 64.75 1v31 s SER 15 CO 0.19 -2.71 2.00 0.74 0.41 0.00 0.00 173.24 173.87 1v31 h THR 16 N -1.60 1.17 0.11 1.44 2.02 -1.98 0.81 112.91 114.87 1v31 h THR 16 Ca -0.51 -0.33 -0.22 0.00 0.77 0.00 0.00 66.41 66.12 1v31 h THR 16 Cb 1.30 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1v31 h THR 16 CO 0.57 0.17 -1.10 0.00 0.37 0.00 0.00 175.52 175.53 1v31 h ALA 17 N 1.58 0.08 0.00 6.16 0.00 -1.95 -2.87 119.26 122.26 1v31 h ALA 17 Ca 0.23 -0.92 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 1v31 h ALA 17 Cb -0.08 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1v31 h ALA 17 CO -0.05 0.60 -0.04 1.25 0.00 0.00 0.00 179.25 181.02 1v31 h LEU 18 N -0.43 0.00 0.11 0.00 5.85 -1.85 0.81 115.31 119.81 1v31 h LEU 18 Ca -0.23 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.20 1v31 h LEU 18 Cb 1.63 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.69 1v31 h LEU 18 CO 0.07 0.04 -1.22 0.24 -0.34 0.00 0.00 178.44 177.23 1v31 h MET 19 N 0.00 0.63 0.00 1.25 2.86 0.57 -3.05 114.93 117.19 1v31 h MET 19 Ca -0.00 -0.82 0.00 0.00 -2.06 0.00 0.00 59.70 56.82 1v31 h MET 19 Cb 0.09 0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1v31 h MET 19 CO 0.00 1.37 0.00 0.22 1.06 0.00 0.00 176.91 179.57 1v31 h ASP 20 N 0.27 0.00 -0.01 1.22 1.82 -1.05 1.39 116.42 120.06 1v31 h ASP 20 Ca -0.18 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.45 1v31 h ASP 20 Cb 1.89 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.90 1v31 h ASP 20 CO 0.23 0.00 -0.02 0.58 -1.61 0.00 0.00 179.24 178.43 1v31 h VAL 21 N 0.00 1.47 0.00 2.25 2.07 -0.83 -3.41 116.25 117.80 1v31 h VAL 21 Ca 0.00 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1v31 h VAL 21 Cb 0.61 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1v31 h VAL 21 CO 0.00 0.37 -0.77 0.18 0.02 0.00 0.00 177.57 177.37 1v31 n LEU 22 N -4.78 1.63 0.00 2.57 4.77 -1.16 -5.06 117.00 114.97 1v31 n LEU 22 Ca -0.09 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1v31 n LEU 22 Cb 0.31 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1v31 n LEU 22 CO 0.34 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1v31 n GLY 23 N 1.75 1.39 0.89 -0.72 0.00 0.47 -5.07 105.19 103.89 1v31 n GLY 23 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 1v31 n GLY 23 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1v31 n ILE 24 N 0.00 0.00 0.00 -0.61 -5.35 -1.23 -5.04 119.36 107.13 1v31 n ILE 24 Ca 0.00 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 1v31 n ILE 24 Cb 0.00 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.65 1v31 n ILE 24 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1v31 n GLU 25 N -0.67 0.00 -3.60 6.28 2.13 -1.26 -4.73 120.64 118.80 1v31 n GLU 25 Ca -0.02 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.51 1v31 n GLU 25 Cb 0.15 -0.25 -0.13 0.00 0.27 0.00 0.00 31.44 31.48 1v31 n GLU 25 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1v31 s VAL 26 N -1.46 0.72 0.30 6.31 1.01 -1.26 -1.77 120.40 124.25 1v31 s VAL 26 Ca 0.00 -1.96 0.10 0.00 0.00 0.00 0.00 61.98 60.12 1v31 s VAL 26 Cb 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 1v31 s VAL 26 CO 0.00 -0.90 -0.05 -0.70 0.00 0.00 0.00 175.10 173.45 1v31 s GLU 27 N 0.90 2.04 0.34 2.72 2.56 -1.24 -4.87 118.70 121.16 1v31 s GLU 27 Ca 0.16 -1.66 -0.05 0.00 0.00 0.00 0.00 54.97 53.42 1v31 s GLU 27 Cb -0.23 -1.96 0.08 0.00 2.00 0.00 0.00 34.13 34.03 1v31 s GLU 27 CO -0.04 0.25 0.46 0.25 -0.56 0.00 0.00 175.26 175.62 1v31 n THR 28 N -0.85 0.00 0.02 -1.70 -2.24 -1.26 0.18 114.28 108.42 1v31 n THR 28 Ca -0.05 -0.36 -0.19 0.00 -2.27 0.00 0.00 64.05 61.17 1v31 n THR 28 Cb 0.61 -1.78 -0.14 0.00 -2.10 0.00 0.00 70.33 66.92 1v31 n THR 28 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1v31 h ARG 29 N 0.00 0.23 0.00 -0.78 2.43 -1.96 -2.84 114.38 111.46 1v31 h ARG 29 Ca -0.15 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1v31 h ARG 29 Cb 0.42 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1v31 h ARG 29 CO 0.11 1.19 0.00 -0.35 -1.51 0.00 0.00 179.97 179.40 1v31 n PRO 30 N -4.17 0.07 -0.09 0.20 -0.04 -1.26 -2.55 135.00 127.15 1v31 n PRO 30 Ca -0.16 0.11 -0.16 0.00 -0.04 0.00 0.00 63.50 63.25 1v31 n PRO 30 Cb 0.78 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.65 1v31 n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1v31 h ARG 31 N 0.00 0.00 0.63 0.54 3.08 -1.94 -3.26 114.38 113.43 1v31 h ARG 31 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1v31 h ARG 31 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1v31 h ARG 31 CO 0.00 0.75 -0.40 0.82 -1.07 0.00 0.00 179.97 180.07 1v31 h ILE 32 N -1.00 0.00 -0.99 2.04 2.04 -1.51 0.89 117.51 118.99 1v31 h ILE 32 Ca -0.21 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.81 1v31 h ILE 32 Cb 1.03 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.95 1v31 h ILE 32 CO -0.12 0.00 -0.38 -0.38 0.00 0.00 0.00 178.15 177.26 1v31 n ILE 33 N -4.92 -0.52 0.08 -0.67 5.41 -1.06 0.56 119.36 118.24 1v31 n ILE 33 Ca -0.12 2.32 -0.13 0.00 1.00 0.00 0.00 62.75 65.82 1v31 n ILE 33 Cb 0.41 -3.06 -0.08 0.00 -0.71 0.00 0.00 39.64 36.20 1v31 n ILE 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1v31 h ALA 34 N 1.37 -0.12 -0.96 -1.39 0.00 -1.53 0.12 119.26 116.75 1v31 h ALA 34 Ca 0.35 -0.05 0.30 0.00 0.00 0.00 0.00 54.91 55.51 1v31 h ALA 34 Cb 0.59 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.27 1v31 h ALA 34 CO -0.98 -0.54 0.37 0.00 0.00 0.00 0.00 179.25 178.10 1v31 h ALA 35 N 0.74 1.64 -0.10 0.00 0.00 0.63 1.47 119.26 123.64 1v31 h ALA 35 Ca -0.01 0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.91 1v31 h ALA 35 Cb 0.14 0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1v31 h ALA 35 CO 0.02 -0.60 -0.83 0.82 0.00 0.00 0.00 179.25 178.65 1v31 h ILE 36 N 0.18 1.31 -0.71 0.00 2.04 0.11 0.12 117.51 120.56 1v31 h ILE 36 Ca 0.67 -2.10 0.09 0.00 1.00 0.00 0.00 64.86 64.52 1v31 h ILE 36 Cb 1.52 2.12 -0.05 0.00 -0.74 0.00 0.00 36.82 39.67 1v31 h ILE 36 CO -0.70 0.65 0.47 -0.50 0.00 0.00 0.00 178.15 178.07 1v31 h TRP 37 N 0.43 0.65 0.00 1.37 4.06 0.44 0.10 115.95 123.01 1v31 h TRP 37 Ca -0.07 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.90 1v31 h TRP 37 Cb 1.46 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 29.41 1v31 h TRP 37 CO 0.08 0.31 -0.02 1.25 -3.56 0.00 0.00 178.44 176.50 1v31 h HIS 38 N 0.61 0.00 -0.98 0.49 2.76 0.09 -3.18 115.15 114.94 1v31 h HIS 38 Ca 0.33 0.00 0.40 0.00 -2.20 0.00 0.00 60.37 58.90 1v31 h HIS 38 Cb 0.46 0.00 -0.18 0.00 1.55 0.00 0.00 27.41 29.24 1v31 h HIS 38 CO -0.00 0.00 0.49 0.98 -1.30 0.00 0.00 177.93 178.10 1v31 n TYR 39 N -4.47 1.11 0.22 5.26 9.36 0.42 0.19 117.16 129.25 1v31 n TYR 39 Ca -0.00 1.16 -0.09 0.00 3.32 0.00 0.00 57.90 62.29 1v31 n TYR 39 Cb 0.01 -1.54 -0.04 0.00 -0.63 0.00 0.00 39.34 37.14 1v31 n TYR 39 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1v31 h VAL 40 N 0.00 0.00 -0.80 2.97 2.07 -0.91 0.77 116.25 120.35 1v31 h VAL 40 Ca 0.82 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 68.41 1v31 h VAL 40 Cb 2.14 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.84 1v31 h VAL 40 CO -0.77 0.00 0.45 0.11 0.02 0.00 0.00 177.57 177.38 1v31 h LYS 41 N -0.58 0.76 -0.36 1.57 1.57 -0.71 0.70 116.57 119.52 1v31 h LYS 41 Ca -0.06 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1v31 h LYS 41 Cb 0.43 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1v31 h LYS 41 CO 0.09 0.50 0.14 0.00 -0.57 0.00 0.00 179.45 179.61 1v31 h ALA 42 N 1.43 0.43 -0.10 3.86 0.00 0.22 0.17 119.26 125.27 1v31 h ALA 42 Ca 0.38 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1v31 h ALA 42 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1v31 h ALA 42 CO -0.23 -0.25 0.00 0.54 0.00 0.00 0.00 179.25 179.31 1v31 n ARG 43 N -5.00 1.30 -3.74 0.00 5.12 0.27 -4.89 116.66 109.72 1v31 n ARG 43 Ca 0.01 -0.46 -0.23 0.00 -1.93 0.00 0.00 57.85 55.24 1v31 n ARG 43 Cb 0.12 -1.25 0.02 0.00 -1.16 0.00 0.00 32.46 30.20 1v31 n ARG 43 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1v31 n LYS 44 N -0.25 -3.92 -0.06 5.56 4.01 0.19 -4.88 118.16 118.81 1v31 n LYS 44 Ca 0.11 0.56 -0.04 0.00 -0.51 0.00 0.00 58.31 58.42 1v31 n LYS 44 Cb 0.15 -4.91 -0.15 0.00 -0.51 0.00 0.00 35.03 29.61 1v31 n LYS 44 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1v31 n LEU 45 N -4.24 0.15 -4.49 -0.35 4.77 0.18 -4.97 117.00 108.05 1v31 n LEU 45 Ca -0.27 0.07 -0.54 0.00 -0.03 0.00 0.00 56.01 55.24 1v31 n LEU 45 Cb 0.67 0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 42.02 1v31 n LEU 45 CO 0.69 0.35 0.45 1.67 -1.33 0.00 0.00 177.39 179.22 1v31 n GLN 46 N -2.68 0.20 -2.60 3.23 7.27 -1.25 0.13 117.38 121.67 1v31 n GLN 46 Ca -0.23 0.07 -0.42 0.00 0.07 0.00 0.00 57.00 56.49 1v31 n GLN 46 Cb 0.99 -1.45 -0.03 0.00 2.41 0.00 0.00 30.24 32.17 1v31 n GLN 46 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1v31 s ASN 47 N -0.24 7.24 0.28 1.69 3.84 -1.15 -4.64 114.94 121.95 1v31 s ASN 47 Ca 0.81 1.74 0.26 0.00 0.21 0.00 0.00 52.86 55.88 1v31 s ASN 47 Cb -1.11 -2.57 0.89 0.00 -0.55 0.00 0.00 41.25 37.91 1v31 s ASN 47 CO 0.56 -0.39 1.76 1.55 -2.79 0.00 0.00 177.10 177.79 1v31 h PRO 48 N 6.94 0.00 0.00 0.43 0.13 -1.91 -3.26 132.00 134.32 1v31 h PRO 48 Ca -0.39 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.56 1v31 h PRO 48 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1v31 h PRO 48 CO 0.80 0.00 -1.13 0.09 -0.23 0.00 0.00 178.00 177.53 1v31 n ASN 49 N -2.39 1.85 -4.25 1.44 3.02 -1.26 -4.83 115.26 108.84 1v31 n ASN 49 Ca 0.04 0.47 -0.36 0.00 -0.03 0.00 0.00 54.58 54.70 1v31 n ASN 49 Cb 0.35 -0.93 -0.13 0.00 -0.61 0.00 0.00 39.78 38.45 1v31 n ASN 49 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1v31 s ASP 50 N -6.60 4.75 0.16 6.41 1.01 -1.23 -4.95 116.67 116.22 1v31 s ASP 50 Ca -0.26 -0.88 0.24 0.00 0.71 0.00 0.00 52.55 52.36 1v31 s ASP 50 Cb 0.05 -1.76 0.91 0.00 1.01 0.00 0.00 42.92 43.13 1v31 s ASP 50 CO 0.49 -0.18 1.73 -0.81 0.21 0.00 0.00 175.17 176.61 1v31 n PRO 51 N 4.74 0.16 0.12 8.23 -0.04 -1.25 -2.39 135.00 144.57 1v31 n PRO 51 Ca -0.15 0.25 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 1v31 n PRO 51 Cb 0.47 -1.73 0.02 0.00 -0.04 0.00 0.00 33.50 32.22 1v31 n PRO 51 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1v31 h SER 52 N 0.00 0.00 -0.68 3.54 0.87 -1.92 -3.46 113.55 111.89 1v31 h SER 52 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 1v31 h SER 52 Cb 0.50 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.41 1v31 h SER 52 CO 0.00 0.07 -0.31 -0.36 -0.53 0.00 0.00 176.83 175.70 1v31 s PHE 53 N -3.28 1.73 -0.11 2.24 0.08 -1.00 0.18 117.98 117.82 1v31 s PHE 53 Ca 0.01 -0.80 -0.28 0.00 0.12 0.00 0.00 56.93 55.97 1v31 s PHE 53 Cb 0.09 -1.95 0.07 0.00 -0.57 0.00 0.00 43.02 40.65 1v31 s PHE 53 CO 0.77 -0.45 0.67 -0.59 -0.10 0.00 0.00 175.22 175.51 1v31 s PHE 54 N -2.74 -0.66 0.79 0.36 -0.12 -0.22 -2.95 117.98 112.44 1v31 s PHE 54 Ca 0.36 1.29 -0.12 0.00 -0.05 0.00 0.00 56.93 58.41 1v31 s PHE 54 Cb -0.02 0.35 0.08 0.00 -0.63 0.00 0.00 43.02 42.80 1v31 s PHE 54 CO 0.22 -0.53 1.15 -0.80 -0.05 0.00 0.00 175.22 175.22 1v31 s ASN 55 N -0.76 3.92 0.26 1.98 0.01 0.34 -2.52 114.94 118.17 1v31 s ASN 55 Ca -0.08 2.15 0.07 0.00 -0.71 0.00 0.00 52.86 54.29 1v31 s ASN 55 Cb -0.02 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 1v31 s ASN 55 CO 0.07 -2.44 0.21 0.00 -1.51 0.00 0.00 177.10 173.44 1v31 n ASP 57 N -1.21 1.87 0.00 0.00 5.75 -1.26 -4.96 116.55 116.75 1v31 n ASP 57 Ca -0.07 -1.92 0.11 0.00 -0.01 0.00 0.00 54.79 52.90 1v31 n ASP 57 Cb 0.58 0.28 0.67 0.00 -1.03 0.00 0.00 41.12 41.62 1v31 n ASP 57 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1v31 n ALA 58 N -2.26 2.51 -0.06 2.12 0.00 -1.26 -1.61 120.51 119.95 1v31 n ALA 58 Ca -0.08 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 1v31 n ALA 58 Cb 0.26 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 1v31 n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v31 n ALA 59 N -0.90 2.15 -0.10 0.00 0.00 -1.26 -4.36 120.51 116.03 1v31 n ALA 59 Ca 0.17 -0.50 -0.00 0.00 0.00 0.00 0.00 53.44 53.10 1v31 n ALA 59 Cb 0.08 0.31 0.27 0.00 0.00 0.00 0.00 19.45 20.11 1v31 n ALA 59 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1v31 h LEU 60 N -0.46 0.68 0.03 0.00 3.38 -1.94 -2.62 115.31 114.37 1v31 h LEU 60 Ca -0.30 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.61 1v31 h LEU 60 Cb 1.20 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1v31 h LEU 60 CO -0.18 0.61 -0.13 1.56 0.09 0.00 0.00 178.44 180.39 1v31 h GLN 61 N 0.75 -0.23 -0.91 1.13 4.20 -1.56 0.40 115.11 118.88 1v31 h GLN 61 Ca 0.18 0.02 0.27 0.00 0.06 0.00 0.00 58.65 59.17 1v31 h GLN 61 Cb 0.13 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1v31 h GLN 61 CO -0.02 -0.16 0.69 0.87 -0.67 0.00 0.00 178.83 179.54 1v31 h LYS 62 N -0.24 0.00 0.00 1.46 1.57 -1.67 0.94 116.57 118.63 1v31 h LYS 62 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1v31 h LYS 62 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1v31 h LYS 62 CO -0.11 0.00 0.00 0.28 -0.57 0.00 0.00 179.45 179.05 1v31 n VAL 63 N -4.17 0.00 0.03 0.50 0.31 -0.05 -4.75 118.33 110.20 1v31 n VAL 63 Ca 0.19 0.36 -0.02 0.00 -0.01 0.00 0.00 64.34 64.86 1v31 n VAL 63 Cb 1.01 -1.11 -0.01 0.00 -0.91 0.00 0.00 33.84 32.82 1v31 n VAL 63 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1v31 h PHE 64 N 0.00 -0.12 0.00 3.52 0.04 -0.00 -3.49 116.94 116.89 1v31 h PHE 64 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1v31 h PHE 64 Cb 0.00 0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1v31 h PHE 64 CO 0.00 -0.07 0.00 0.41 -0.60 0.00 0.00 178.31 178.05 1v31 n GLY 65 N 1.33 0.95 3.77 -1.45 0.00 0.32 -4.99 105.19 105.12 1v31 n GLY 65 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1v31 n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v31 s GLU 66 N -0.83 2.98 0.26 1.61 8.01 -1.26 -5.00 118.70 124.47 1v31 s GLU 66 Ca 0.00 -0.56 -0.02 0.00 0.01 0.00 0.00 54.97 54.40 1v31 s GLU 66 Cb 0.00 -2.80 0.54 0.00 -4.31 0.00 0.00 34.13 27.56 1v31 s GLU 66 CO 0.00 0.62 1.73 1.05 0.01 0.00 0.00 175.26 178.67 1v31 h GLU 67 N 3.88 0.47 -3.48 1.61 4.11 -1.97 -3.42 114.58 115.78 1v31 h GLU 67 Ca -0.48 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 58.84 1v31 h GLU 67 Cb 1.18 -0.11 -0.15 0.00 0.50 0.00 0.00 28.75 30.17 1v31 h GLU 67 CO 0.63 0.31 -0.22 -1.59 0.07 0.00 0.00 179.01 178.21 1v31 s LYS 68 N -5.98 0.91 0.18 1.06 -2.85 -1.26 -0.33 119.74 111.47 1v31 s LYS 68 Ca -0.12 -0.71 -0.01 0.00 -1.00 0.00 0.00 55.97 54.13 1v31 s LYS 68 Cb 0.22 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.34 1v31 s LYS 68 CO 0.77 -0.32 0.11 -1.17 0.10 0.00 0.00 175.35 174.85 1v31 s LEU 69 N -2.55 1.33 0.21 2.77 0.20 -1.05 -4.93 118.68 114.67 1v31 s LEU 69 Ca 0.01 -1.34 -0.18 0.00 0.69 0.00 0.00 54.13 53.31 1v31 s LEU 69 Cb 0.02 0.34 -0.08 0.00 -0.43 0.00 0.00 46.19 46.04 1v31 s LEU 69 CO -0.09 -0.81 0.68 -0.54 -0.29 0.00 0.00 176.35 175.31 1v31 s LYS 70 N -4.13 4.16 0.26 1.98 1.02 -1.26 -1.05 119.74 120.72 1v31 s LYS 70 Ca 0.35 0.76 0.22 0.00 0.02 0.00 0.00 55.97 57.32 1v31 s LYS 70 Cb 0.07 -2.85 0.99 0.00 -0.52 0.00 0.00 37.83 35.53 1v31 s LYS 70 CO 0.09 0.39 1.66 1.19 -0.92 0.00 0.00 175.35 177.76 1v31 n PHE 71 N 0.64 0.72 -0.12 3.18 3.72 0.47 -2.51 117.46 123.55 1v31 n PHE 71 Ca -0.02 0.31 -0.24 0.00 -0.05 0.00 0.00 57.45 57.45 1v31 n PHE 71 Cb 0.51 -1.01 -0.11 0.00 -0.94 0.00 0.00 39.48 37.94 1v31 n PHE 71 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1v31 n THR 72 N -2.19 1.53 -0.21 4.37 -2.24 -1.26 -4.34 114.28 109.95 1v31 n THR 72 Ca 0.01 -0.44 0.25 0.00 -2.27 0.00 0.00 64.05 61.60 1v31 n THR 72 Cb 0.15 -1.73 0.64 0.00 -2.10 0.00 0.00 70.33 67.30 1v31 n THR 72 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1v31 h MET 73 N -0.58 0.16 -0.95 -0.78 2.86 -1.88 -1.95 114.93 111.81 1v31 h MET 73 Ca -0.61 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.12 1v31 h MET 73 Cb 1.72 -0.04 -0.12 0.00 0.06 0.00 0.00 31.60 33.22 1v31 h MET 73 CO -0.26 0.11 -0.51 0.28 1.06 0.00 0.00 176.91 177.58 1v31 n VAL 74 N -4.38 -0.61 -0.30 -2.22 0.31 -1.04 0.16 118.33 110.24 1v31 n VAL 74 Ca 0.19 2.29 0.11 0.00 -0.01 0.00 0.00 64.34 66.92 1v31 n VAL 74 Cb 0.87 -2.88 0.24 0.00 -0.91 0.00 0.00 33.84 31.16 1v31 n VAL 74 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1v31 h SER 75 N 0.00 -0.33 0.40 4.52 4.64 -1.62 1.73 113.55 122.88 1v31 h SER 75 Ca 0.20 0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 61.73 1v31 h SER 75 Cb 0.44 0.39 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1v31 h SER 75 CO -0.91 -0.25 -0.19 -0.61 -0.87 0.00 0.00 176.83 174.00 1v31 h GLN 76 N 0.09 -0.52 0.09 4.77 4.15 0.13 -1.83 115.11 121.99 1v31 h GLN 76 Ca 0.52 0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.97 1v31 h GLN 76 Cb 1.02 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.82 1v31 h GLN 76 CO -0.77 -0.21 -0.06 0.87 -1.93 0.00 0.00 178.83 176.73 1v31 h LYS 77 N -0.85 -0.13 -1.50 1.69 1.79 0.19 -1.87 116.57 115.89 1v31 h LYS 77 Ca -0.05 0.01 0.48 0.00 -2.18 0.00 0.00 60.65 58.90 1v31 h LYS 77 Cb 0.55 0.03 -0.11 0.00 -1.58 0.00 0.00 32.23 31.12 1v31 h LYS 77 CO 0.09 -0.09 1.02 0.44 -1.08 0.00 0.00 179.45 179.83 1v31 n ILE 78 N -2.52 -0.15 -0.16 1.86 -6.64 0.57 0.17 119.36 112.50 1v31 n ILE 78 Ca -0.02 1.57 -0.03 0.00 -1.77 0.00 0.00 62.75 62.50 1v31 n ILE 78 Cb 0.06 -2.58 0.03 0.00 -1.44 0.00 0.00 39.64 35.70 1v31 n ILE 78 CO 0.00 0.00 0.00 0.77 -1.77 0.00 0.00 176.55 175.55 1v31 h SER 79 N 0.00 -0.58 -0.02 7.28 4.64 -0.46 1.42 113.55 125.84 1v31 h SER 79 Ca 0.84 0.16 0.01 0.00 -0.47 0.00 0.00 61.79 62.33 1v31 h SER 79 Cb 2.98 0.35 -0.00 0.00 -0.31 0.00 0.00 62.40 65.42 1v31 h SER 79 CO -0.27 -0.20 0.27 -0.74 -0.87 0.00 0.00 176.83 175.02 1v31 h HIS 80 N -0.05 0.00 0.04 4.77 2.76 0.18 0.18 115.15 123.04 1v31 h HIS 80 Ca 0.24 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 58.04 1v31 h HIS 80 Cb 0.41 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.32 1v31 h HIS 80 CO -0.45 0.00 -2.21 0.72 -1.30 0.00 0.00 177.93 174.69 1v31 n HIS 81 N -2.97 0.56 -1.59 5.26 8.25 0.40 -4.88 115.22 120.25 1v31 n HIS 81 Ca -0.02 0.14 -0.48 0.00 -0.26 0.00 0.00 57.72 57.10 1v31 n HIS 81 Cb 0.33 -1.08 -0.05 0.00 1.12 0.00 0.00 29.99 30.31 1v31 n HIS 81 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1v31 n LEU 82 N -3.24 2.96 -4.26 2.41 4.77 0.33 -4.60 117.00 115.37 1v31 n LEU 82 Ca -0.36 0.64 -0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1v31 n LEU 82 Cb 1.04 -1.37 -0.10 0.00 -2.33 0.00 0.00 43.42 40.66 1v31 n LEU 82 CO 0.36 -0.41 -0.33 -0.44 -1.33 0.00 0.00 177.39 175.24 1v31 s SER 83 N 5.99 1.33 0.28 -1.43 0.01 -1.19 -4.92 113.70 113.77 1v31 s SER 83 Ca 1.00 -1.18 -0.29 0.00 1.31 0.00 0.00 55.95 56.79 1v31 s SER 83 Cb -0.68 0.10 -0.09 0.00 0.21 0.00 0.00 66.02 65.55 1v31 s SER 83 CO 0.48 -0.55 1.08 -2.16 0.41 0.00 0.00 173.24 172.50 1v31 s PRO 84 N -3.90 4.64 0.99 12.44 0.04 -1.26 0.20 135.00 148.14 1v31 s PRO 84 Ca 0.25 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 62.89 1v31 s PRO 84 Cb 0.06 -3.16 0.18 0.00 0.04 0.00 0.00 34.50 31.62 1v31 s PRO 84 CO 0.05 0.23 1.18 -1.25 0.04 0.00 0.00 177.00 177.24 1v31 s PRO 85 N -1.48 0.51 -0.31 0.56 0.04 -1.26 -4.62 135.00 128.44 1v31 s PRO 85 Ca 0.45 0.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.24 1v31 s PRO 85 Cb -0.31 -1.79 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 1v31 s PRO 85 CO 0.39 -2.58 1.36 -1.25 0.04 0.00 0.00 177.00 174.97 1v31 s PRO 86 N -5.45 3.83 0.91 0.56 0.04 -1.26 -5.01 135.00 128.62 1v31 s PRO 86 Ca 0.68 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.83 1v31 s PRO 86 Cb -0.11 -3.93 0.14 0.00 0.04 0.00 0.00 34.50 30.64 1v31 s PRO 86 CO 0.54 -1.23 1.14 -1.25 0.04 0.00 0.00 177.00 176.23 1v31 s PRO 87 N 4.38 1.16 -0.57 0.56 0.04 -1.26 -5.03 135.00 134.29 1v31 s PRO 87 Ca 0.59 0.29 -0.03 0.00 0.04 0.00 0.00 61.00 61.89 1v31 s PRO 87 Cb -0.17 -1.84 0.15 0.00 0.04 0.00 0.00 34.50 32.68 1v31 s PRO 87 CO 0.26 -2.19 0.38 -1.12 0.04 0.00 0.00 177.00 174.37 1v31 s SER 88 N -4.03 5.25 0.29 6.66 0.01 -1.26 -5.08 113.70 115.54 1v31 s SER 88 Ca 0.64 -2.63 -0.03 0.00 1.31 0.00 0.00 55.95 55.23 1v31 s SER 88 Cb -0.15 -1.85 -0.05 0.00 0.21 0.00 0.00 66.02 64.18 1v31 s SER 88 CO 0.53 -0.42 0.53 -0.83 0.41 0.00 0.00 173.24 173.47 1v31 s GLY 89 N 1.01 1.76 -1.15 3.44 0.00 -1.26 -4.98 107.32 106.14 1v31 s GLY 89 Ca 0.15 -0.65 -0.19 0.00 0.00 0.00 0.00 44.72 44.02 1v31 s GLY 89 CO -0.04 -0.56 1.98 -1.55 0.00 0.00 0.00 173.10 172.94 1v31 n PRO 90 N -1.06 2.25 -3.60 2.90 -0.04 -1.26 -4.81 135.00 129.38 1v31 n PRO 90 Ca -0.03 -2.47 -0.15 0.00 -0.04 0.00 0.00 63.50 60.82 1v31 n PRO 90 Cb 0.54 -3.29 -0.06 0.00 -0.04 0.00 0.00 33.50 30.65 1v31 n PRO 90 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1v31 s SER 91 N 4.59 -0.43 0.23 3.54 1.04 -1.26 -5.06 113.70 116.35 1v31 s SER 91 Ca 0.56 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.24 1v31 s SER 91 Cb 0.09 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1v31 s SER 91 CO 0.05 -0.65 0.00 -0.24 0.98 0.00 0.00 173.24 173.38 1v31 n SER 92 N 0.65 -2.05 -0.93 7.02 2.88 -1.26 -5.18 113.62 114.74 1v31 n SER 92 Ca -0.19 0.64 0.12 0.00 -1.33 0.00 0.00 58.87 58.11 1v31 n SER 92 Cb 0.59 2.13 0.10 0.00 -0.75 0.00 0.00 64.21 66.27 1v31 n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42