#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 -1.11 -2.95 1.61 2.88 -1.26 -4.67 113.62 108.11 1v31 n SER 2 Ca 0.00 1.30 -0.09 0.00 -1.33 0.00 0.00 58.87 58.75 1v31 n SER 2 Cb 0.00 -5.10 0.01 0.00 -0.75 0.00 0.00 64.21 58.37 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 1.53 -7.44 0.00 -3.46 2.88 -1.26 -5.00 113.62 100.88 1v31 n SER 3 Ca -0.37 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1v31 n SER 3 Cb 0.57 -4.32 0.00 0.00 -0.75 0.00 0.00 64.21 59.71 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 0.25 -0.47 1.19 0.46 0.00 -1.26 -5.17 105.19 100.19 1v31 n GLY 4 Ca 0.03 0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.30 1v31 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v31 n SER 5 N -1.38 -6.66 -2.58 1.61 2.88 -1.26 -5.00 113.62 101.24 1v31 n SER 5 Ca 0.00 1.12 -0.04 0.00 -1.33 0.00 0.00 58.87 58.62 1v31 n SER 5 Cb 0.00 -4.05 -0.03 0.00 -0.75 0.00 0.00 64.21 59.37 1v31 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1v31 n SER 6 N -3.96 -2.85 -0.23 -3.46 7.64 -1.26 -4.83 113.62 104.67 1v31 n SER 6 Ca -0.07 1.42 -0.11 0.00 1.01 0.00 0.00 58.87 61.12 1v31 n SER 6 Cb 0.57 -4.85 -0.09 0.00 -1.01 0.00 0.00 64.21 58.83 1v31 n SER 6 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1v31 h GLY 7 N 4.26 -1.09 -2.42 0.23 0.00 -2.07 -3.41 103.07 98.57 1v31 h GLY 7 Ca -0.40 0.78 -0.56 0.00 0.00 0.00 0.00 47.33 47.16 1v31 h GLY 7 CO 0.01 -0.14 -0.30 3.33 0.00 0.00 0.00 176.54 179.44 1v31 n VAL 8 N -5.04 1.77 -1.57 4.60 0.24 -1.26 -4.95 118.33 112.12 1v31 n VAL 8 Ca -0.01 -0.36 -0.31 0.00 -2.04 0.00 0.00 64.34 61.62 1v31 n VAL 8 Cb 0.27 -0.80 0.05 0.00 -1.47 0.00 0.00 33.84 31.89 1v31 n VAL 8 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1v31 s PRO 9 N -3.00 2.90 -0.18 7.34 0.04 -1.26 -5.05 135.00 135.79 1v31 s PRO 9 Ca 0.66 0.94 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 1v31 s PRO 9 Cb -0.33 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1v31 s PRO 9 CO 0.57 -1.12 -0.13 -2.00 0.04 0.00 0.00 177.00 174.37 1v31 s GLU 10 N -5.05 3.23 0.64 4.56 2.12 -1.26 -5.11 118.70 117.83 1v31 s GLU 10 Ca 0.58 -0.72 -0.16 0.00 0.36 0.00 0.00 54.97 55.03 1v31 s GLU 10 Cb -0.14 -2.73 -0.01 0.00 0.26 0.00 0.00 34.13 31.51 1v31 s GLU 10 CO 0.55 -0.09 1.11 0.15 -0.54 0.00 0.00 175.26 176.44 1v31 s LYS 11 N 1.10 2.87 0.01 4.30 1.02 -1.26 -4.76 119.74 123.03 1v31 s LYS 11 Ca 0.00 1.42 0.06 0.00 0.02 0.00 0.00 55.97 57.48 1v31 s LYS 11 Cb -0.14 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.19 1v31 s LYS 11 CO -0.04 -1.20 -0.19 -0.06 -0.92 0.00 0.00 175.35 172.94 1v31 s PHE 12 N -2.26 1.72 1.16 3.18 0.08 0.51 -4.30 117.98 118.07 1v31 s PHE 12 Ca 0.68 -0.35 -0.17 0.00 0.12 0.00 0.00 56.93 57.21 1v31 s PHE 12 Cb -0.21 -1.06 0.27 0.00 -0.57 0.00 0.00 43.02 41.44 1v31 s PHE 12 CO 0.39 0.03 1.08 0.21 -0.10 0.00 0.00 175.22 176.83 1v31 s LYS 13 N -0.80 -0.91 0.07 0.44 2.20 0.31 -0.60 119.74 120.45 1v31 s LYS 13 Ca 0.07 0.21 0.08 0.00 -0.36 0.00 0.00 55.97 55.96 1v31 s LYS 13 Cb -0.08 -1.61 -0.03 0.00 -1.51 0.00 0.00 37.83 34.60 1v31 s LYS 13 CO 0.00 -3.56 -0.21 -0.51 -0.36 0.00 0.00 175.35 170.71 1v31 s LEU 14 N -6.93 2.22 0.89 5.43 1.02 0.56 -3.74 118.68 118.14 1v31 s LEU 14 Ca 0.69 -0.59 -0.13 0.00 0.02 0.00 0.00 54.13 54.12 1v31 s LEU 14 Cb -0.14 -0.94 0.13 0.00 0.02 0.00 0.00 46.19 45.25 1v31 s LEU 14 CO 0.58 0.12 1.17 -0.44 0.02 0.00 0.00 176.35 177.79 1v31 s SER 15 N -1.46 3.69 0.22 2.29 0.01 -1.26 -4.77 113.70 112.42 1v31 s SER 15 Ca 0.07 0.83 -0.09 0.00 1.31 0.00 0.00 55.95 58.08 1v31 s SER 15 Cb -0.09 -1.33 0.22 0.00 0.21 0.00 0.00 66.02 65.03 1v31 s SER 15 CO 0.03 -2.42 1.86 0.74 0.41 0.00 0.00 173.24 173.85 1v31 h THR 16 N -1.41 1.12 -0.02 1.44 2.02 -1.99 0.30 112.91 114.38 1v31 h THR 16 Ca -0.48 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.30 1v31 h THR 16 Cb 1.32 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1v31 h THR 16 CO 0.60 0.17 -0.25 0.00 0.37 0.00 0.00 175.52 176.42 1v31 h ALA 17 N 1.32 0.05 -0.77 6.16 0.00 -1.94 -3.01 119.26 121.07 1v31 h ALA 17 Ca 0.31 -0.45 0.17 0.00 0.00 0.00 0.00 54.91 54.94 1v31 h ALA 17 Cb 0.01 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1v31 h ALA 17 CO -0.11 0.08 0.52 1.25 0.00 0.00 0.00 179.25 180.99 1v31 h LEU 18 N -0.43 0.30 -0.95 0.00 5.85 -1.80 0.45 115.31 118.73 1v31 h LEU 18 Ca -0.03 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 1v31 h LEU 18 Cb 0.97 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1v31 h LEU 18 CO 0.05 0.14 -0.36 -0.03 -0.34 0.00 0.00 178.44 177.90 1v31 h MET 19 N 0.31 0.31 -0.11 1.25 4.05 -0.35 -1.67 114.93 118.73 1v31 h MET 19 Ca 0.38 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.66 1v31 h MET 19 Cb 1.03 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 1v31 h MET 19 CO -0.10 0.64 0.00 -0.25 0.23 0.00 0.00 176.91 177.42 1v31 n ASP 20 N -4.06 1.16 -0.08 1.39 9.92 0.15 -0.42 116.55 124.61 1v31 n ASP 20 Ca -0.01 -1.62 -0.14 0.00 -0.53 0.00 0.00 54.79 52.49 1v31 n ASP 20 Cb 0.45 -0.07 -0.14 0.00 -0.64 0.00 0.00 41.12 40.72 1v31 n ASP 20 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1v31 n VAL 21 N -0.02 1.52 0.06 2.53 0.31 -0.49 -4.84 118.33 117.41 1v31 n VAL 21 Ca 0.16 -0.72 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1v31 n VAL 21 Cb 0.25 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 1v31 n VAL 21 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1v31 n LEU 22 N -3.09 0.43 0.00 7.52 4.77 -1.04 -5.00 117.00 120.59 1v31 n LEU 22 Ca -0.35 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1v31 n LEU 22 Cb 1.07 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 1v31 n LEU 22 CO 0.38 -0.60 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 1v31 n GLY 23 N 2.63 1.84 3.57 -0.72 0.00 0.45 -5.07 105.19 107.88 1v31 n GLY 23 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1v31 n GLY 23 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1v31 s ILE 24 N -2.00 3.07 -0.15 -0.61 -4.36 -1.26 -5.05 121.20 110.84 1v31 s ILE 24 Ca 0.00 -1.97 -0.02 0.00 -0.26 0.00 0.00 60.65 58.41 1v31 s ILE 24 Cb 0.00 -2.59 -0.08 0.00 1.25 0.00 0.00 42.46 41.03 1v31 s ILE 24 CO 0.00 -0.29 -0.15 -1.84 0.24 0.00 0.00 174.94 172.90 1v31 n GLU 25 N -0.48 0.35 -3.63 0.37 0.28 -1.26 -4.52 120.64 111.74 1v31 n GLU 25 Ca -0.08 0.10 -0.26 0.00 -0.16 0.00 0.00 57.16 56.77 1v31 n GLU 25 Cb 0.58 -1.21 -0.17 0.00 1.43 0.00 0.00 31.44 32.07 1v31 n GLU 25 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1v31 s VAL 26 N -2.28 0.01 0.37 3.84 1.01 -1.26 -0.32 120.40 121.76 1v31 s VAL 26 Ca -0.20 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.65 1v31 s VAL 26 Cb 0.06 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 1v31 s VAL 26 CO 0.31 -0.23 0.17 -0.70 0.00 0.00 0.00 175.10 174.65 1v31 s GLU 27 N 2.10 1.81 0.00 2.72 2.56 0.23 -4.85 118.70 123.27 1v31 s GLU 27 Ca 0.02 -2.08 0.00 0.00 0.00 0.00 0.00 54.97 52.91 1v31 s GLU 27 Cb -0.16 -0.26 0.00 0.00 2.00 0.00 0.00 34.13 35.71 1v31 s GLU 27 CO -0.08 -0.52 0.00 0.25 -0.56 0.00 0.00 175.26 174.35 1v31 n THR 28 N -0.76 0.00 0.06 -1.70 -2.24 -1.26 0.19 114.28 108.57 1v31 n THR 28 Ca -0.01 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 1v31 n THR 28 Cb 0.64 -1.68 -0.15 0.00 -2.10 0.00 0.00 70.33 67.04 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 0.33 0.03 -0.78 2.43 -1.96 -3.26 114.38 111.18 1v31 h ARG 29 Ca 0.00 -0.57 -0.00 0.00 -0.81 0.00 0.00 59.98 58.60 1v31 h ARG 29 Cb 0.00 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1v31 h ARG 29 CO 0.00 1.27 -0.01 -1.00 -1.51 0.00 0.00 179.97 178.72 1v31 h PRO 30 N -0.28 -0.03 -0.95 0.20 0.13 -1.98 -2.25 132.00 126.84 1v31 h PRO 30 Ca -0.18 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.23 1v31 h PRO 30 Cb 1.74 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.71 1v31 h PRO 30 CO 0.16 0.65 0.16 0.00 -0.23 0.00 0.00 178.00 178.74 1v31 h ARG 31 N -0.79 0.07 0.36 0.86 3.08 -1.96 1.10 114.38 117.09 1v31 h ARG 31 Ca -0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1v31 h ARG 31 Cb 0.70 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1v31 h ARG 31 CO 0.01 0.05 -0.17 0.82 -1.07 0.00 0.00 179.97 179.60 1v31 h ILE 32 N 0.07 0.00 -0.98 2.04 2.04 -1.62 0.52 117.51 119.58 1v31 h ILE 32 Ca 0.61 -0.38 0.33 0.00 1.00 0.00 0.00 64.86 66.42 1v31 h ILE 32 Cb 1.31 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.22 1v31 h ILE 32 CO -0.81 0.00 0.32 0.40 0.00 0.00 0.00 178.15 178.06 1v31 h ILE 33 N -0.86 0.10 0.10 -0.67 2.04 -0.53 0.56 117.51 118.24 1v31 h ILE 33 Ca -0.05 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1v31 h ILE 33 Cb 0.37 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1v31 h ILE 33 CO 0.08 0.01 -0.05 0.00 0.00 0.00 0.00 178.15 178.20 1v31 h ALA 34 N 1.94 -0.13 -1.48 1.87 0.00 0.12 -1.62 119.26 119.96 1v31 h ALA 34 Ca 0.70 -0.25 0.44 0.00 0.00 0.00 0.00 54.91 55.80 1v31 h ALA 34 Cb 1.65 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.41 1v31 h ALA 34 CO -0.78 -0.28 1.03 0.00 0.00 0.00 0.00 179.25 179.22 1v31 h ALA 35 N 0.05 3.20 0.20 0.00 0.00 0.50 1.60 119.26 124.81 1v31 h ALA 35 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 1v31 h ALA 35 Cb 0.55 0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.51 1v31 h ALA 35 CO 0.02 -1.70 -1.22 0.82 0.00 0.00 0.00 179.25 177.17 1v31 h ILE 36 N 0.06 1.35 -0.04 0.00 2.04 -0.53 -1.74 117.51 118.65 1v31 h ILE 36 Ca 0.77 -2.61 0.04 0.00 1.00 0.00 0.00 64.86 64.06 1v31 h ILE 36 Cb 2.81 3.08 -0.06 0.00 -0.74 0.00 0.00 36.82 41.92 1v31 h ILE 36 CO -0.15 0.77 -0.36 -0.50 0.00 0.00 0.00 178.15 177.91 1v31 h TRP 37 N -0.09 -1.01 0.40 1.37 4.06 0.32 0.49 115.95 121.48 1v31 h TRP 37 Ca -0.22 0.04 -0.02 0.00 2.06 0.00 0.00 58.89 60.75 1v31 h TRP 37 Cb 1.93 0.45 0.00 0.00 -1.00 0.00 0.00 29.16 30.55 1v31 h TRP 37 CO 0.16 -0.45 -0.19 1.25 -3.56 0.00 0.00 178.44 175.65 1v31 h HIS 38 N -0.49 -0.50 -0.81 0.49 2.76 -0.93 -2.17 115.15 113.50 1v31 h HIS 38 Ca 0.07 -0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.37 1v31 h HIS 38 Cb 0.60 0.16 -0.14 0.00 1.55 0.00 0.00 27.41 29.58 1v31 h HIS 38 CO -0.40 -0.31 -0.25 0.98 -1.30 0.00 0.00 177.93 176.65 1v31 n TYR 39 N -3.54 0.19 0.15 5.26 9.36 -0.65 0.21 117.16 128.13 1v31 n TYR 39 Ca -0.07 1.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.99 1v31 n TYR 39 Cb 0.21 -0.90 -0.09 0.00 -0.63 0.00 0.00 39.34 37.93 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 0.09 -0.14 2.97 2.07 0.05 0.53 116.25 121.82 1v31 h VAL 40 Ca 0.35 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.88 1v31 h VAL 40 Cb 0.55 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1v31 h VAL 40 CO -0.82 0.00 0.05 0.50 0.02 0.00 0.00 177.57 177.32 1v31 h LYS 41 N -0.75 0.12 -1.00 1.57 3.64 0.88 0.75 116.57 121.77 1v31 h LYS 41 Ca -0.00 -0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.60 1v31 h LYS 41 Cb 0.74 -0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.42 1v31 h LYS 41 CO -0.22 0.08 0.60 0.00 -2.27 0.00 0.00 179.45 177.64 1v31 h ALA 42 N 1.08 1.76 -0.46 5.00 0.00 0.29 1.54 119.26 128.47 1v31 h ALA 42 Ca 0.06 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1v31 h ALA 42 Cb 0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 1v31 h ALA 42 CO -0.06 -0.21 0.17 0.54 0.00 0.00 0.00 179.25 179.70 1v31 n ARG 43 N -4.85 2.68 -4.41 0.00 5.12 0.18 -4.87 116.66 110.51 1v31 n ARG 43 Ca 0.26 -1.89 -0.36 0.00 -1.93 0.00 0.00 57.85 53.93 1v31 n ARG 43 Cb 0.70 -1.86 -0.09 0.00 -1.16 0.00 0.00 32.46 30.05 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 -0.00 -0.83 0.03 5.56 5.02 0.53 -4.77 118.16 123.69 1v31 n LYS 44 Ca 0.25 0.11 -0.02 0.00 -2.02 0.00 0.00 58.31 56.63 1v31 n LYS 44 Cb 1.00 -4.10 -0.09 0.00 -0.02 0.00 0.00 35.03 31.82 1v31 n LYS 44 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1v31 h LEU 45 N -1.34 0.00 -9.06 -0.35 3.38 0.32 -3.47 115.31 104.79 1v31 h LEU 45 Ca -0.63 0.00 -0.77 0.00 0.09 0.00 0.00 57.88 56.58 1v31 h LEU 45 Cb 1.39 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.19 1v31 h LEU 45 CO 0.80 0.71 0.14 1.67 0.09 0.00 0.00 178.44 181.84 1v31 n GLN 46 N -2.99 0.24 -3.01 1.13 7.27 -1.25 0.11 117.38 118.89 1v31 n GLN 46 Ca -0.10 0.09 -0.40 0.00 0.07 0.00 0.00 57.00 56.66 1v31 n GLN 46 Cb 0.89 -1.62 -0.05 0.00 2.41 0.00 0.00 30.24 31.87 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 0.10 7.17 -0.08 1.69 3.84 -0.62 -4.66 114.94 122.37 1v31 s ASN 47 Ca 0.89 1.39 -0.24 0.00 0.21 0.00 0.00 52.86 55.12 1v31 s ASN 47 Cb -1.20 -2.45 -0.20 0.00 -0.55 0.00 0.00 41.25 36.85 1v31 s ASN 47 CO 0.55 0.02 0.89 1.55 -2.79 0.00 0.00 177.10 177.32 1v31 h PRO 48 N 5.75 -0.06 -0.98 0.43 0.13 -1.90 -3.22 132.00 132.15 1v31 h PRO 48 Ca -0.44 0.00 0.33 0.00 -0.87 0.00 0.00 66.00 65.03 1v31 h PRO 48 Cb 1.20 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 1v31 h PRO 48 CO 0.71 0.57 0.41 -0.91 -0.23 0.00 0.00 178.00 178.55 1v31 h ASN 49 N -0.82 0.20 -3.27 1.44 4.21 -1.95 -3.37 115.58 112.03 1v31 h ASN 49 Ca -0.01 0.23 -0.25 0.00 1.21 0.00 0.00 56.30 57.49 1v31 h ASN 49 Cb 0.66 0.26 -0.33 0.00 -1.12 0.00 0.00 38.32 37.79 1v31 h ASN 49 CO 0.01 -0.27 -0.58 -1.81 -1.29 0.00 0.00 177.43 173.48 1v31 s ASP 50 N -4.83 0.13 0.00 5.81 1.11 -1.23 -5.00 116.67 112.66 1v31 s ASP 50 Ca -0.11 0.38 0.23 0.00 0.18 0.00 0.00 52.55 53.23 1v31 s ASP 50 Cb 0.30 0.30 1.38 0.00 1.07 0.00 0.00 42.92 45.97 1v31 s ASP 50 CO 0.78 -0.19 1.76 -0.81 1.18 0.00 0.00 175.17 177.89 1v31 n PRO 51 N 4.61 0.75 -0.08 8.23 -0.04 -1.22 -3.07 135.00 144.18 1v31 n PRO 51 Ca -0.19 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.07 1v31 n PRO 51 Cb 0.51 -1.48 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.06 -3.01 3.54 0.87 -1.95 -3.46 113.55 109.60 1v31 h SER 52 Ca 0.00 -0.66 -0.48 0.00 -1.23 0.00 0.00 61.79 59.43 1v31 h SER 52 Cb 0.00 -0.02 0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1v31 h SER 52 CO 0.00 1.43 -0.09 -0.36 -0.53 0.00 0.00 176.83 177.28 1v31 s PHE 53 N -2.36 3.45 -0.02 2.24 0.08 -1.18 -0.21 117.98 119.99 1v31 s PHE 53 Ca -0.26 0.45 -0.08 0.00 0.12 0.00 0.00 56.93 57.16 1v31 s PHE 53 Cb 0.04 -2.10 0.01 0.00 -0.57 0.00 0.00 43.02 40.39 1v31 s PHE 53 CO 0.64 -0.10 0.17 -0.59 -0.10 0.00 0.00 175.22 175.24 1v31 s PHE 54 N -2.49 -0.06 0.74 0.36 -0.12 0.30 -1.58 117.98 115.12 1v31 s PHE 54 Ca 0.44 0.11 -0.14 0.00 -0.05 0.00 0.00 56.93 57.29 1v31 s PHE 54 Cb -0.10 0.01 0.05 0.00 -0.63 0.00 0.00 43.02 42.34 1v31 s PHE 54 CO 0.39 -0.24 1.17 -0.80 -0.05 0.00 0.00 175.22 175.69 1v31 s ASN 55 N -0.92 4.22 -0.09 1.98 0.01 0.31 -2.16 114.94 118.29 1v31 s ASN 55 Ca -0.10 2.23 -0.17 0.00 -0.71 0.00 0.00 52.86 54.12 1v31 s ASN 55 Cb -0.05 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 1v31 s ASN 55 CO 0.01 -2.24 0.43 0.00 -1.51 0.00 0.00 177.10 173.80 1v31 h ASP 57 N 6.21 -0.21 0.00 0.00 5.19 -1.94 -3.48 116.42 122.19 1v31 h ASP 57 Ca -0.44 -0.30 0.00 0.00 -0.62 0.00 0.00 57.03 55.67 1v31 h ASP 57 Cb 1.19 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.75 1v31 h ASP 57 CO 0.72 0.34 0.00 0.00 -3.12 0.00 0.00 179.24 177.18 1v31 n ALA 58 N -2.60 0.00 0.42 3.45 0.00 -1.26 -4.93 120.51 115.59 1v31 n ALA 58 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1v31 n ALA 58 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.68 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 0.00 3.25 0.30 0.00 0.00 -1.26 -3.83 120.51 118.97 1v31 n ALA 59 Ca 0.00 -0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.16 1v31 n ALA 59 Cb 0.00 -0.94 0.32 0.00 0.00 0.00 0.00 19.45 18.83 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 0.00 0.00 0.17 0.00 3.38 -1.93 -3.28 115.31 113.65 1v31 h LEU 60 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1v31 h LEU 60 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1v31 h LEU 60 CO 0.00 0.00 -0.08 1.56 0.09 0.00 0.00 178.44 180.01 1v31 h GLN 61 N 0.00 -0.23 -1.94 1.13 1.08 -1.88 -0.21 115.11 113.07 1v31 h GLN 61 Ca 0.00 0.02 0.57 0.00 -1.45 0.00 0.00 58.65 57.78 1v31 h GLN 61 Cb 0.84 0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 28.24 1v31 h GLN 61 CO 0.00 -0.15 1.39 1.63 -0.95 0.00 0.00 178.83 180.75 1v31 n LYS 62 N -3.44 -0.00 0.01 1.46 5.02 -1.25 0.19 118.16 120.15 1v31 n LYS 62 Ca -0.03 1.10 -0.02 0.00 -2.02 0.00 0.00 58.31 57.35 1v31 n LYS 62 Cb 0.09 -2.51 -0.01 0.00 -0.02 0.00 0.00 35.03 32.58 1v31 n LYS 62 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1v31 h VAL 63 N 0.00 0.00 0.00 -0.18 2.07 -1.61 -3.44 116.25 113.10 1v31 h VAL 63 Ca 0.94 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1v31 h VAL 63 Cb 3.72 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1v31 h VAL 63 CO -0.05 0.00 -0.20 0.49 0.02 0.00 0.00 177.57 177.83 1v31 n PHE 64 N -4.64 0.30 0.00 1.57 3.72 0.18 -5.03 117.46 113.56 1v31 n PHE 64 Ca -0.01 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1v31 n PHE 64 Cb 0.05 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.18 1v31 n PHE 64 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1v31 n GLY 65 N 1.68 1.31 3.25 1.37 0.00 0.52 -4.99 105.19 108.32 1v31 n GLY 65 Ca -0.03 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 -0.05 2.66 0.31 1.61 2.02 -1.26 -5.01 118.70 118.98 1v31 s GLU 66 Ca 0.00 -0.90 0.08 0.00 0.02 0.00 0.00 54.97 54.18 1v31 s GLU 66 Cb 0.00 -2.19 0.91 0.00 0.10 0.00 0.00 34.13 32.96 1v31 s GLU 66 CO 0.00 0.33 1.47 -0.85 0.02 0.00 0.00 175.26 176.23 1v31 n GLU 67 N 3.09 -0.07 -3.88 1.61 0.28 -1.26 -4.47 120.64 115.95 1v31 n GLU 67 Ca -0.18 1.36 -0.10 0.00 -0.16 0.00 0.00 57.16 58.08 1v31 n GLU 67 Cb 0.52 -2.26 -0.09 0.00 1.43 0.00 0.00 31.44 31.04 1v31 n GLU 67 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1v31 s LYS 68 N -5.74 0.61 0.14 3.44 -2.85 -1.26 -0.36 119.74 113.71 1v31 s LYS 68 Ca -0.11 -0.61 0.03 0.00 -1.00 0.00 0.00 55.97 54.28 1v31 s LYS 68 Cb 0.29 0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 36.26 1v31 s LYS 68 CO 0.73 -0.16 -0.07 -1.17 0.10 0.00 0.00 175.35 174.78 1v31 s LEU 69 N -1.93 2.44 0.73 2.77 0.20 -0.92 -4.86 118.68 117.11 1v31 s LEU 69 Ca -0.07 -1.05 -0.10 0.00 0.69 0.00 0.00 54.13 53.60 1v31 s LEU 69 Cb -0.03 -0.18 0.05 0.00 -0.43 0.00 0.00 46.19 45.60 1v31 s LEU 69 CO -0.03 -0.43 1.09 -0.54 -0.29 0.00 0.00 176.35 176.15 1v31 s LYS 70 N -3.82 2.40 0.00 1.98 1.02 -1.26 -0.54 119.74 119.52 1v31 s LYS 70 Ca 0.16 0.15 0.24 0.00 0.02 0.00 0.00 55.97 56.55 1v31 s LYS 70 Cb 0.04 -2.05 0.33 0.00 -0.52 0.00 0.00 37.83 35.64 1v31 s LYS 70 CO -0.01 -1.25 1.31 1.19 -0.92 0.00 0.00 175.35 175.67 1v31 n PHE 71 N -3.07 0.00 -0.02 3.18 3.72 0.71 -4.03 117.46 117.95 1v31 n PHE 71 Ca 0.07 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.45 1v31 n PHE 71 Cb 0.59 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 39.07 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 0.05 0.27 1.32 4.37 -2.24 -1.26 -4.55 114.28 112.24 1v31 n THR 72 Ca 0.12 -0.16 0.02 0.00 -2.27 0.00 0.00 64.05 61.75 1v31 n THR 72 Cb 0.45 -0.88 0.07 0.00 -2.10 0.00 0.00 70.33 67.86 1v31 n THR 72 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 1v31 n MET 73 N -2.17 1.44 0.07 -0.78 0.00 -1.26 -3.58 117.12 110.84 1v31 n MET 73 Ca -0.07 -0.54 -0.13 0.00 0.00 0.00 0.00 57.70 56.97 1v31 n MET 73 Cb 0.63 -1.24 -0.04 0.00 0.00 0.00 0.00 33.22 32.56 1v31 n MET 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1v31 h VAL 74 N 0.82 1.41 0.00 3.17 2.07 -1.80 -2.97 116.25 118.95 1v31 h VAL 74 Ca 0.00 -2.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.07 1v31 h VAL 74 Cb 0.34 2.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1v31 h VAL 74 CO 0.02 0.73 -0.04 -1.28 0.02 0.00 0.00 177.57 177.02 1v31 h SER 75 N 0.22 0.00 -0.46 0.57 0.87 -1.90 0.54 113.55 113.39 1v31 h SER 75 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1v31 h SER 75 Cb 1.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1v31 h SER 75 CO 0.16 0.04 0.00 0.00 -0.53 0.00 0.00 176.83 176.50 1v31 n GLN 76 N -3.57 4.08 0.07 2.24 10.64 -1.12 -3.53 117.38 126.18 1v31 n GLN 76 Ca -0.02 -2.50 0.00 0.00 -1.83 0.00 0.00 57.00 52.65 1v31 n GLN 76 Cb 0.15 -2.10 0.00 0.00 -0.86 0.00 0.00 30.24 27.43 1v31 n GLN 76 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1v31 n LYS 77 N 0.51 0.00 -0.24 2.61 4.76 0.38 -4.83 118.16 121.35 1v31 n LYS 77 Ca 0.22 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.70 1v31 n LYS 77 Cb 1.00 -0.08 0.28 0.00 -1.84 0.00 0.00 35.03 34.38 1v31 n LYS 77 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1v31 h ILE 78 N 0.00 1.09 -0.83 -0.18 -0.00 -0.26 -2.75 117.51 114.57 1v31 h ILE 78 Ca 0.00 -0.32 0.07 0.00 -0.00 0.00 0.00 64.86 64.61 1v31 h ILE 78 Cb 0.08 0.06 -0.10 0.00 -0.00 0.00 0.00 36.82 36.87 1v31 h ILE 78 CO 0.00 0.17 -0.49 -1.54 -0.00 0.00 0.00 178.15 176.29 1v31 n SER 79 N -4.47 -0.88 -0.33 2.16 3.41 -1.23 0.14 113.62 112.43 1v31 n SER 79 Ca 0.11 1.58 0.14 0.00 -0.26 0.00 0.00 58.87 60.45 1v31 n SER 79 Cb 0.16 -0.24 0.29 0.00 -0.26 0.00 0.00 64.21 64.16 1v31 n SER 79 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1v31 h HIS 80 N 0.00 0.01 -0.39 7.33 3.86 -1.80 1.32 115.15 125.48 1v31 h HIS 80 Ca 0.13 0.07 -0.08 0.00 -1.16 0.00 0.00 60.37 59.33 1v31 h HIS 80 Cb 0.34 0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1v31 h HIS 80 CO -0.95 -0.41 -0.07 0.45 0.86 0.00 0.00 177.93 177.81 1v31 h HIS 81 N 0.03 0.83 -1.59 2.45 3.86 0.12 -3.42 115.15 117.43 1v31 h HIS 81 Ca 0.59 -0.17 -0.66 0.00 -1.16 0.00 0.00 60.37 58.97 1v31 h HIS 81 Cb 1.23 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.49 1v31 h HIS 81 CO -0.46 0.86 1.20 1.28 0.86 0.00 0.00 177.93 181.67 1v31 n LEU 82 N -4.37 2.75 -4.26 2.43 4.77 0.45 -4.66 117.00 114.11 1v31 n LEU 82 Ca -0.01 0.75 -0.16 0.00 -0.03 0.00 0.00 56.01 56.55 1v31 n LEU 82 Cb 0.34 -1.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.03 1v31 n LEU 82 CO 0.42 -0.41 -0.43 -0.44 -1.33 0.00 0.00 177.39 175.20 1v31 s SER 83 N 5.40 1.97 -0.08 -1.43 0.01 -1.25 -4.91 113.70 113.42 1v31 s SER 83 Ca 1.01 -0.94 -0.30 0.00 1.31 0.00 0.00 55.95 57.03 1v31 s SER 83 Cb -0.81 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 65.34 1v31 s SER 83 CO 0.53 -0.24 1.23 -2.16 0.41 0.00 0.00 173.24 173.01 1v31 s PRO 84 N -3.35 4.31 0.98 12.44 0.04 -1.26 0.12 135.00 148.28 1v31 s PRO 84 Ca 0.15 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.74 1v31 s PRO 84 Cb -0.01 -3.61 0.18 0.00 0.04 0.00 0.00 34.50 31.10 1v31 s PRO 84 CO 0.02 -0.53 1.17 -1.25 0.04 0.00 0.00 177.00 176.46 1v31 s PRO 85 N 2.56 0.60 0.68 0.56 0.04 -1.26 -4.79 135.00 133.39 1v31 s PRO 85 Ca 0.56 0.09 -0.11 0.00 0.04 0.00 0.00 61.00 61.58 1v31 s PRO 85 Cb -0.24 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1v31 s PRO 85 CO 0.20 -2.53 1.06 -1.25 0.04 0.00 0.00 177.00 174.53 1v31 s PRO 86 N -5.42 3.00 0.54 0.56 0.04 -1.26 -5.03 135.00 127.43 1v31 s PRO 86 Ca 0.67 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 62.52 1v31 s PRO 86 Cb -0.12 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 1v31 s PRO 86 CO 0.54 -1.05 1.04 -1.25 0.04 0.00 0.00 177.00 176.32 1v31 s PRO 87 N -4.93 3.57 -0.30 0.56 0.04 -1.26 -5.00 135.00 127.67 1v31 s PRO 87 Ca 0.59 1.25 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 1v31 s PRO 87 Cb -0.14 -2.07 0.28 0.00 0.04 0.00 0.00 34.50 32.61 1v31 s PRO 87 CO 0.53 -0.61 1.30 -1.13 0.04 0.00 0.00 177.00 177.13 1v31 n SER 88 N -1.55 -1.05 0.00 6.66 3.41 -1.26 -5.12 113.62 114.71 1v31 n SER 88 Ca 0.09 -1.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 1v31 n SER 88 Cb 0.53 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 1v31 n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v31 n GLY 89 N 1.43 0.74 3.56 5.00 0.00 -1.26 -5.09 105.19 109.57 1v31 n GLY 89 Ca -0.00 0.39 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 1v31 n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v31 s PRO 90 N 0.00 2.98 -0.29 1.61 0.04 -1.26 -4.90 135.00 133.18 1v31 s PRO 90 Ca 0.00 0.26 -0.03 0.00 0.04 0.00 0.00 61.00 61.26 1v31 s PRO 90 Cb 0.00 -4.26 0.17 0.00 0.04 0.00 0.00 34.50 30.46 1v31 s PRO 90 CO 0.00 -2.35 0.59 -1.12 0.04 0.00 0.00 177.00 174.16 1v31 s SER 91 N 5.69 -1.21 0.31 6.66 0.01 -1.26 -5.03 113.70 118.87 1v31 s SER 91 Ca 0.52 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.77 1v31 s SER 91 Cb -0.11 2.11 0.00 0.00 0.21 0.00 0.00 66.02 68.24 1v31 s SER 91 CO 0.19 -0.25 0.00 -1.20 0.41 0.00 0.00 173.24 172.39 1v31 n SER 92 N 5.43 -1.91 0.00 2.44 7.64 -1.26 -5.22 113.62 120.74 1v31 n SER 92 Ca -0.04 0.58 0.05 0.00 1.01 0.00 0.00 58.87 60.47 1v31 n SER 92 Cb 0.50 1.91 0.28 0.00 -1.01 0.00 0.00 64.21 65.90 1v31 n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64