#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v31 s SER 2 N 0.00 6.17 -1.06 1.61 0.01 -1.26 -4.99 113.70 114.18 1v31 s SER 2 Ca 0.00 -1.99 -0.14 0.00 1.31 0.00 0.00 55.95 55.13 1v31 s SER 2 Cb 0.00 -2.16 0.19 0.00 0.21 0.00 0.00 66.02 64.26 1v31 s SER 2 CO 0.00 -0.77 1.18 -0.44 0.41 0.00 0.00 173.24 173.63 1v31 s SER 3 N 3.11 6.96 0.00 2.44 0.01 -1.26 -4.74 113.70 120.23 1v31 s SER 3 Ca 0.06 -2.82 0.00 0.00 1.31 0.00 0.00 55.95 54.50 1v31 s SER 3 Cb -0.26 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1v31 s SER 3 CO 0.00 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.55 1v31 n GLY 4 N 4.16 -1.58 3.59 3.44 0.00 -1.26 -5.18 105.19 108.37 1v31 n GLY 4 Ca 0.27 0.94 -0.05 0.00 0.00 0.00 0.00 46.02 47.18 1v31 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v31 s SER 5 N 0.00 -0.18 -0.45 1.61 0.15 -1.26 -5.13 113.70 108.44 1v31 s SER 5 Ca 0.00 0.08 0.07 0.00 0.70 0.00 0.00 55.95 56.81 1v31 s SER 5 Cb 0.00 0.17 0.18 0.00 -1.71 0.00 0.00 66.02 64.66 1v31 s SER 5 CO 0.00 -0.24 0.64 -0.44 1.20 0.00 0.00 173.24 174.40 1v31 s SER 6 N -1.76 -1.24 0.06 5.45 0.01 -1.26 -5.03 113.70 109.93 1v31 s SER 6 Ca 0.07 -1.28 -0.00 0.00 1.31 0.00 0.00 55.95 56.04 1v31 s SER 6 Cb -0.01 1.78 -0.00 0.00 0.21 0.00 0.00 66.02 68.00 1v31 s SER 6 CO -0.05 -0.13 -0.01 0.61 0.41 0.00 0.00 173.24 174.08 1v31 n GLY 7 N 3.78 -0.01 3.27 3.44 0.00 -1.26 -5.08 105.19 109.33 1v31 n GLY 7 Ca 0.14 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.68 1.79 1.10 1.61 1.01 -1.26 -5.14 120.40 117.82 1v31 s VAL 8 Ca -0.01 -1.24 -0.18 0.00 0.00 0.00 0.00 61.98 60.55 1v31 s VAL 8 Cb 0.00 -1.54 0.26 0.00 0.00 0.00 0.00 36.38 35.09 1v31 s VAL 8 CO 0.01 0.25 1.23 -2.16 0.00 0.00 0.00 175.10 174.43 1v31 s PRO 9 N -1.17 -0.45 -0.22 2.72 0.04 -1.26 -5.05 135.00 129.61 1v31 s PRO 9 Ca 0.09 -0.31 -0.04 0.00 0.04 0.00 0.00 61.00 60.77 1v31 s PRO 9 Cb -0.09 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 1v31 s PRO 9 CO 0.02 -3.16 -0.02 -1.83 0.04 0.00 0.00 177.00 172.05 1v31 s GLU 10 N -5.70 3.44 0.81 4.56 -1.05 -1.26 -5.10 118.70 114.41 1v31 s GLU 10 Ca 0.74 -0.59 -0.11 0.00 -0.15 0.00 0.00 54.97 54.85 1v31 s GLU 10 Cb -0.06 -3.06 0.08 0.00 -0.44 0.00 0.00 34.13 30.65 1v31 s GLU 10 CO 0.55 -0.17 1.09 0.15 0.95 0.00 0.00 175.26 177.83 1v31 s LYS 11 N 1.44 1.94 -0.02 -4.83 1.02 -1.26 -4.54 119.74 113.49 1v31 s LYS 11 Ca 0.05 0.84 0.00 0.00 0.02 0.00 0.00 55.97 56.89 1v31 s LYS 11 Cb -0.14 -1.89 0.02 0.00 -0.52 0.00 0.00 37.83 35.30 1v31 s LYS 11 CO -0.02 -1.77 -0.00 -0.06 -0.92 0.00 0.00 175.35 172.58 1v31 s PHE 12 N -3.02 0.25 1.18 3.18 0.08 0.06 -4.22 117.98 115.49 1v31 s PHE 12 Ca 0.61 0.00 -0.13 0.00 0.12 0.00 0.00 56.93 57.54 1v31 s PHE 12 Cb -0.16 -0.30 0.29 0.00 -0.57 0.00 0.00 43.02 42.28 1v31 s PHE 12 CO 0.56 -0.08 1.02 0.15 -0.10 0.00 0.00 175.22 176.77 1v31 s LYS 13 N 0.68 -1.03 0.26 0.44 1.02 0.71 -1.84 119.74 119.97 1v31 s LYS 13 Ca -0.07 0.86 0.11 0.00 0.02 0.00 0.00 55.97 56.90 1v31 s LYS 13 Cb -0.10 -1.54 -0.05 0.00 -0.52 0.00 0.00 37.83 35.63 1v31 s LYS 13 CO -0.01 -3.80 -0.14 -0.51 -0.92 0.00 0.00 175.35 169.97 1v31 s LEU 14 N -7.27 2.79 0.68 3.17 1.02 -0.24 -3.37 118.68 115.46 1v31 s LEU 14 Ca 0.69 -0.85 -0.07 0.00 0.02 0.00 0.00 54.13 53.92 1v31 s LEU 14 Cb -0.25 -1.35 0.05 0.00 0.02 0.00 0.00 46.19 44.66 1v31 s LEU 14 CO 0.65 0.04 0.99 -0.94 0.02 0.00 0.00 176.35 177.11 1v31 s SER 15 N -3.39 5.02 0.39 2.29 1.04 -1.26 -4.78 113.70 113.01 1v31 s SER 15 Ca 0.29 0.54 0.07 0.00 0.48 0.00 0.00 55.95 57.33 1v31 s SER 15 Cb -0.06 -1.27 0.81 0.00 0.10 0.00 0.00 66.02 65.60 1v31 s SER 15 CO 0.16 -1.46 2.01 0.74 0.98 0.00 0.00 173.24 175.66 1v31 h THR 16 N -0.50 1.05 0.09 2.02 2.02 -1.97 1.29 112.91 116.91 1v31 h THR 16 Ca -0.45 -0.22 -0.16 0.00 0.77 0.00 0.00 66.41 66.35 1v31 h THR 16 Cb 1.30 0.35 0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1v31 h THR 16 CO 0.60 0.12 -0.77 0.00 0.37 0.00 0.00 175.52 175.85 1v31 h ALA 17 N 1.67 0.01 0.00 6.16 0.00 -1.94 -2.99 119.26 122.17 1v31 h ALA 17 Ca 0.24 -0.77 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1v31 h ALA 17 Cb 0.13 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1v31 h ALA 17 CO -0.06 0.40 -0.09 1.25 0.00 0.00 0.00 179.25 180.74 1v31 h LEU 18 N -0.57 0.00 -0.45 0.00 5.85 -1.77 -0.63 115.31 117.74 1v31 h LEU 18 Ca -0.16 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.39 1v31 h LEU 18 Cb 1.48 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1v31 h LEU 18 CO 0.07 0.09 -0.77 0.24 -0.34 0.00 0.00 178.44 177.73 1v31 h MET 19 N 0.00 0.16 -0.02 1.25 2.86 0.16 -2.52 114.93 116.82 1v31 h MET 19 Ca -0.00 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1v31 h MET 19 Cb 0.21 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1v31 h MET 19 CO 0.01 0.85 0.00 -3.47 1.06 0.00 0.00 176.91 175.36 1v31 n ASP 20 N -3.72 1.44 -0.11 1.22 -0.08 -0.43 -1.22 116.55 113.65 1v31 n ASP 20 Ca -0.03 -1.49 -0.24 0.00 -1.51 0.00 0.00 54.79 51.53 1v31 n ASP 20 Cb 0.73 -0.00 -0.11 0.00 2.34 0.00 0.00 41.12 44.08 1v31 n ASP 20 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1v31 n VAL 21 N 0.13 1.53 -0.09 5.18 0.31 -0.38 -4.78 118.33 120.23 1v31 n VAL 21 Ca 0.19 -0.12 -0.15 0.00 -0.01 0.00 0.00 64.34 64.25 1v31 n VAL 21 Cb 0.34 -2.00 -0.05 0.00 -0.91 0.00 0.00 33.84 31.22 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 -4.38 1.79 0.00 7.52 4.77 -0.97 -5.05 117.00 120.67 1v31 n LEU 22 Ca -0.38 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1v31 n LEU 22 Cb 0.73 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1v31 n LEU 22 CO 0.14 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1v31 n GLY 23 N 1.62 1.58 3.36 -0.72 0.00 -0.35 -5.08 105.19 105.60 1v31 n GLY 23 Ca -0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 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 1.91 -0.08 -0.61 -4.36 -1.25 -5.04 121.20 109.77 1v31 s ILE 24 Ca 0.00 -2.04 0.12 0.00 -0.26 0.00 0.00 60.65 58.47 1v31 s ILE 24 Cb 0.00 -1.96 -0.18 0.00 1.25 0.00 0.00 42.46 41.58 1v31 s ILE 24 CO 0.00 -0.37 0.15 1.21 0.24 0.00 0.00 174.94 176.17 1v31 n GLU 25 N 0.05 1.31 -3.23 0.37 2.13 -1.26 -4.46 120.64 115.54 1v31 n GLU 25 Ca -0.11 -0.06 0.03 0.00 0.66 0.00 0.00 57.16 57.69 1v31 n GLU 25 Cb 0.58 -1.32 -0.02 0.00 0.27 0.00 0.00 31.44 30.96 1v31 n GLU 25 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1v31 s VAL 26 N -2.57 -0.88 0.18 6.31 0.11 -1.26 -1.08 120.40 121.21 1v31 s VAL 26 Ca -0.06 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.02 1v31 s VAL 26 Cb 0.06 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.86 1v31 s VAL 26 CO 0.53 0.00 -0.01 -0.70 -3.33 0.00 0.00 175.10 171.59 1v31 s GLU 27 N 2.86 1.13 0.02 1.54 2.56 -0.77 -4.84 118.70 121.20 1v31 s GLU 27 Ca 0.13 -1.54 -0.00 0.00 0.00 0.00 0.00 54.97 53.56 1v31 s GLU 27 Cb -0.14 -0.34 0.00 0.00 2.00 0.00 0.00 34.13 35.66 1v31 s GLU 27 CO -0.19 -0.10 0.01 0.25 -0.56 0.00 0.00 175.26 174.67 1v31 n THR 28 N -0.25 0.00 0.04 -1.70 -2.24 -1.26 -0.76 114.28 108.10 1v31 n THR 28 Ca -0.07 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.50 1v31 n THR 28 Cb 0.63 -0.01 -0.14 0.00 -2.10 0.00 0.00 70.33 68.70 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 0.29 0.16 -0.78 2.43 -1.95 -3.32 114.38 111.22 1v31 h ARG 29 Ca -0.01 -0.50 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 1v31 h ARG 29 Cb 0.02 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1v31 h ARG 29 CO 0.00 1.24 -0.08 -1.00 -1.51 0.00 0.00 179.97 178.63 1v31 h PRO 30 N -0.29 -0.21 -0.81 0.20 0.13 -1.98 -2.80 132.00 126.24 1v31 h PRO 30 Ca -0.23 0.01 0.26 0.00 -0.87 0.00 0.00 66.00 65.17 1v31 h PRO 30 Cb 1.75 0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.78 1v31 h PRO 30 CO 0.12 0.13 0.13 0.54 -0.23 0.00 0.00 178.00 178.70 1v31 n ARG 31 N -4.91 -0.06 0.17 0.86 5.12 -1.26 0.89 116.66 117.47 1v31 n ARG 31 Ca -0.06 1.18 -0.07 0.00 -1.93 0.00 0.00 57.85 56.97 1v31 n ARG 31 Cb 0.22 -1.95 -0.03 0.00 -1.16 0.00 0.00 32.46 29.54 1v31 n ARG 31 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1v31 h ILE 32 N 0.00 0.00 -0.98 0.55 2.04 -1.66 0.48 117.51 117.94 1v31 h ILE 32 Ca 0.55 -0.20 0.32 0.00 1.00 0.00 0.00 64.86 66.52 1v31 h ILE 32 Cb 1.24 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.14 1v31 h ILE 32 CO -0.72 0.00 0.24 0.40 0.00 0.00 0.00 178.15 178.07 1v31 h ILE 33 N -0.65 0.06 -0.06 -0.67 2.04 -0.24 1.00 117.51 118.99 1v31 h ILE 33 Ca -0.05 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1v31 h ILE 33 Cb 0.35 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1v31 h ILE 33 CO 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 178.15 178.21 1v31 h ALA 34 N 1.96 0.08 -1.33 1.87 0.00 0.55 -1.44 119.26 120.94 1v31 h ALA 34 Ca 0.68 -0.23 0.39 0.00 0.00 0.00 0.00 54.91 55.74 1v31 h ALA 34 Cb 1.56 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 1v31 h ALA 34 CO -0.83 -0.17 0.95 0.00 0.00 0.00 0.00 179.25 179.20 1v31 h ALA 35 N 0.61 3.18 0.16 0.00 0.00 0.59 1.62 119.26 125.42 1v31 h ALA 35 Ca 0.01 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 1v31 h ALA 35 Cb 0.47 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1v31 h ALA 35 CO 0.01 -1.58 -1.50 0.82 0.00 0.00 0.00 179.25 176.99 1v31 h ILE 36 N 0.03 1.21 -0.75 0.00 2.04 -0.62 -0.99 117.51 118.45 1v31 h ILE 36 Ca 0.65 -2.79 -0.00 0.00 1.00 0.00 0.00 64.86 63.72 1v31 h ILE 36 Cb 2.51 2.85 -0.04 0.00 -0.74 0.00 0.00 36.82 41.41 1v31 h ILE 36 CO -0.05 0.84 0.46 -0.50 0.00 0.00 0.00 178.15 178.90 1v31 h TRP 37 N 0.09 0.97 0.31 1.37 4.06 0.32 0.11 115.95 123.18 1v31 h TRP 37 Ca -0.24 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.70 1v31 h TRP 37 Cb 2.05 -0.32 0.00 0.00 -1.00 0.00 0.00 29.16 29.89 1v31 h TRP 37 CO 0.08 0.65 -0.15 1.25 -3.56 0.00 0.00 178.44 176.71 1v31 h HIS 38 N 1.02 -0.38 -0.95 0.49 -0.00 -0.23 -2.79 115.15 112.30 1v31 h HIS 38 Ca 0.27 -0.01 0.23 0.00 -0.00 0.00 0.00 60.37 60.86 1v31 h HIS 38 Cb -0.06 0.13 -0.18 0.00 -0.00 0.00 0.00 27.41 27.30 1v31 h HIS 38 CO -0.01 -0.24 -0.07 -0.92 -0.00 0.00 0.00 177.93 176.69 1v31 h TYR 39 N -0.95 -0.22 0.35 5.26 3.20 -1.14 1.37 116.97 124.84 1v31 h TYR 39 Ca -0.04 0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1v31 h TYR 39 Cb 0.32 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1v31 h TYR 39 CO 0.01 -0.40 -0.32 0.28 -1.64 0.00 0.00 178.16 176.09 1v31 h VAL 40 N 0.02 0.00 -0.56 1.81 2.07 -0.85 0.90 116.25 119.63 1v31 h VAL 40 Ca 0.53 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.15 1v31 h VAL 40 Cb 0.98 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 1v31 h VAL 40 CO -0.92 0.00 0.13 0.11 0.02 0.00 0.00 177.57 176.91 1v31 h LYS 41 N -0.65 0.26 -0.88 1.57 1.57 -0.66 0.40 116.57 118.18 1v31 h LYS 41 Ca -0.04 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.81 1v31 h LYS 41 Cb 0.56 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 1v31 h LYS 41 CO -0.02 0.17 0.57 0.00 -0.57 0.00 0.00 179.45 179.60 1v31 h ALA 42 N 1.43 1.65 -0.35 3.86 0.00 0.21 0.60 119.26 126.66 1v31 h ALA 42 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1v31 h ALA 42 Cb 0.40 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1v31 h ALA 42 CO -0.36 0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.61 1v31 n ARG 43 N -4.52 1.85 -2.65 0.00 5.12 0.31 -4.87 116.66 111.89 1v31 n ARG 43 Ca 0.15 -1.26 -0.14 0.00 -1.93 0.00 0.00 57.85 54.67 1v31 n ARG 43 Cb 0.30 -1.30 -0.00 0.00 -1.16 0.00 0.00 32.46 30.30 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 0.51 -2.59 0.08 5.56 4.76 0.21 -4.79 118.16 121.90 1v31 n LYS 44 Ca 0.12 0.53 -0.05 0.00 -2.87 0.00 0.00 58.31 56.04 1v31 n LYS 44 Cb 0.31 -5.15 -0.06 0.00 -1.84 0.00 0.00 35.03 28.29 1v31 n LYS 44 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1v31 h LEU 45 N -0.23 0.00 -8.90 -0.35 3.38 -0.61 -3.47 115.31 105.14 1v31 h LEU 45 Ca -0.30 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.02 1v31 h LEU 45 Cb 1.22 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.10 1v31 h LEU 45 CO 0.36 0.88 -0.69 1.67 0.09 0.00 0.00 178.44 180.75 1v31 n GLN 46 N -3.39 0.00 -3.60 1.13 7.27 -1.25 0.18 117.38 117.72 1v31 n GLN 46 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.70 1v31 n GLN 46 Cb 0.87 -0.99 -0.06 0.00 2.41 0.00 0.00 30.24 32.47 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 -0.99 6.54 -0.04 1.69 3.84 -1.15 -4.51 114.94 120.32 1v31 s ASN 47 Ca 0.61 0.64 -0.24 0.00 0.21 0.00 0.00 52.86 54.08 1v31 s ASN 47 Cb -0.80 -2.18 -0.23 0.00 -0.55 0.00 0.00 41.25 37.50 1v31 s ASN 47 CO 0.58 0.24 1.06 1.55 -2.79 0.00 0.00 177.10 177.74 1v31 h PRO 48 N 5.70 0.18 -0.03 0.43 0.13 -1.91 -3.30 132.00 133.19 1v31 h PRO 48 Ca -0.47 -0.17 0.02 0.00 -0.87 0.00 0.00 66.00 64.51 1v31 h PRO 48 Cb 1.20 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 1v31 h PRO 48 CO 0.67 0.88 -0.52 -0.91 -0.23 0.00 0.00 178.00 177.89 1v31 h ASN 49 N -0.47 -1.63 -3.27 1.44 2.35 -1.98 -3.38 115.58 108.65 1v31 h ASN 49 Ca -0.02 0.19 -0.67 0.00 -0.55 0.00 0.00 56.30 55.24 1v31 h ASN 49 Cb 0.95 0.62 -0.32 0.00 0.05 0.00 0.00 38.32 39.62 1v31 h ASN 49 CO 0.04 -0.50 -0.80 -0.62 -1.65 0.00 0.00 177.43 173.91 1v31 s ASP 50 N -4.70 3.72 0.32 5.81 2.15 -1.25 -4.97 116.67 117.74 1v31 s ASP 50 Ca -0.15 -0.65 0.26 0.00 0.43 0.00 0.00 52.55 52.44 1v31 s ASP 50 Cb 0.06 -1.59 0.89 0.00 -0.30 0.00 0.00 42.92 41.99 1v31 s ASP 50 CO 0.59 -0.04 1.76 1.55 -0.17 0.00 0.00 175.17 178.87 1v31 h PRO 51 N 7.99 0.00 0.00 4.34 0.13 -1.75 -2.62 132.00 140.10 1v31 h PRO 51 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1v31 h PRO 51 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1v31 h PRO 51 CO 0.61 0.00 -0.05 0.43 -0.23 0.00 0.00 178.00 178.76 1v31 n SER 52 N -2.51 0.83 -4.85 1.44 7.64 -1.26 -4.85 113.62 110.05 1v31 n SER 52 Ca 0.03 0.54 -0.28 0.00 1.01 0.00 0.00 58.87 60.18 1v31 n SER 52 Cb 0.36 -0.73 -0.03 0.00 -1.01 0.00 0.00 64.21 62.80 1v31 n SER 52 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1v31 s PHE 53 N -3.11 1.79 -0.03 1.43 0.08 -0.99 0.12 117.98 117.27 1v31 s PHE 53 Ca 0.10 -0.84 -0.30 0.00 0.12 0.00 0.00 56.93 56.01 1v31 s PHE 53 Cb 0.12 -1.85 0.07 0.00 -0.57 0.00 0.00 43.02 40.80 1v31 s PHE 53 CO 0.61 -0.24 0.68 -0.59 -0.10 0.00 0.00 175.22 175.58 1v31 s PHE 54 N -2.78 -0.64 0.59 0.36 -0.12 -0.33 -2.95 117.98 112.13 1v31 s PHE 54 Ca 0.28 1.02 -0.18 0.00 -0.05 0.00 0.00 56.93 58.00 1v31 s PHE 54 Cb -0.01 0.43 -0.03 0.00 -0.63 0.00 0.00 43.02 42.78 1v31 s PHE 54 CO 0.17 -0.63 1.13 -0.80 -0.05 0.00 0.00 175.22 175.04 1v31 s ASN 55 N -1.37 5.44 0.67 1.98 0.01 0.47 -2.48 114.94 119.67 1v31 s ASN 55 Ca -0.09 2.12 0.00 0.00 -0.71 0.00 0.00 52.86 54.18 1v31 s ASN 55 Cb -0.00 -2.57 0.10 0.00 0.41 0.00 0.00 41.25 39.19 1v31 s ASN 55 CO 0.07 -1.41 0.93 0.00 -1.51 0.00 0.00 177.10 175.19 1v31 n ASP 57 N -2.69 -0.72 0.00 0.00 5.75 -1.26 -4.97 116.55 112.66 1v31 n ASP 57 Ca 0.13 -2.56 0.14 0.00 -0.01 0.00 0.00 54.79 52.50 1v31 n ASP 57 Cb 0.60 1.51 0.85 0.00 -1.03 0.00 0.00 41.12 43.05 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 -1.28 2.57 -0.04 2.12 0.00 -1.26 -1.09 120.51 121.53 1v31 n ALA 58 Ca -0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.11 1v31 n ALA 58 Cb 0.45 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.01 1.82 0.03 0.00 0.00 -1.26 -4.36 120.51 115.74 1v31 n ALA 59 Ca 0.21 -0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 1v31 n ALA 59 Cb 0.10 0.26 -0.01 0.00 0.00 0.00 0.00 19.45 19.81 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 0.63 0.36 0.00 3.38 -1.92 -3.26 115.31 114.49 1v31 h LEU 60 Ca -0.19 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 1v31 h LEU 60 Cb 1.32 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1v31 h LEU 60 CO -0.02 1.19 -0.19 1.56 0.09 0.00 0.00 178.44 181.07 1v31 h GLN 61 N 0.35 -0.48 -0.76 1.13 4.20 -1.37 0.39 115.11 118.56 1v31 h GLN 61 Ca -0.05 0.03 0.22 0.00 0.06 0.00 0.00 58.65 58.92 1v31 h GLN 61 Cb 1.38 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 29.24 1v31 h GLN 61 CO 0.14 -0.32 0.84 0.87 -0.67 0.00 0.00 178.83 179.69 1v31 h LYS 62 N -0.50 0.00 0.00 1.46 1.57 -1.76 0.78 116.57 118.12 1v31 h LYS 62 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1v31 h LYS 62 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1v31 h LYS 62 CO 0.07 0.00 0.00 0.28 -0.57 0.00 0.00 179.45 179.23 1v31 n VAL 63 N -3.50 0.00 0.07 0.50 0.31 -0.38 -4.79 118.33 110.54 1v31 n VAL 63 Ca 0.16 0.44 -0.03 0.00 -0.01 0.00 0.00 64.34 64.90 1v31 n VAL 63 Cb 1.09 -1.37 -0.01 0.00 -0.91 0.00 0.00 33.84 32.64 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 -0.19 0.00 3.52 0.04 0.30 -3.49 116.94 117.13 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 0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1v31 h PHE 64 CO 0.00 -0.12 0.00 0.41 -0.60 0.00 0.00 178.31 178.00 1v31 n GLY 65 N 0.74 1.12 3.60 -1.45 0.00 0.27 -4.99 105.19 104.47 1v31 n GLY 65 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.31 2.02 0.16 1.61 0.41 -1.26 -5.03 118.70 116.30 1v31 s GLU 66 Ca 0.00 -1.70 -0.11 0.00 -0.41 0.00 0.00 54.97 52.75 1v31 s GLU 66 Cb 0.00 -1.93 0.02 0.00 -1.78 0.00 0.00 34.13 30.45 1v31 s GLU 66 CO 0.00 0.22 1.59 1.05 -0.49 0.00 0.00 175.26 177.63 1v31 h GLU 67 N 1.93 0.96 -3.62 1.61 4.11 -1.98 -3.43 114.58 114.16 1v31 h GLU 67 Ca -0.42 -0.34 -0.07 0.00 0.07 0.00 0.00 59.36 58.59 1v31 h GLU 67 Cb 1.25 -0.07 -0.13 0.00 0.50 0.00 0.00 28.75 30.30 1v31 h GLU 67 CO 0.65 1.01 -0.23 -1.59 0.07 0.00 0.00 179.01 178.92 1v31 s LYS 68 N -4.90 0.97 0.15 1.06 -2.85 -1.26 -0.28 119.74 112.62 1v31 s LYS 68 Ca -0.12 -0.86 -0.06 0.00 -1.00 0.00 0.00 55.97 53.93 1v31 s LYS 68 Cb 0.12 0.40 -0.02 0.00 -2.06 0.00 0.00 37.83 36.28 1v31 s LYS 68 CO 0.85 -0.35 0.19 -1.17 0.10 0.00 0.00 175.35 174.97 1v31 s LEU 69 N -2.84 1.30 0.36 2.77 0.20 -1.04 -4.95 118.68 114.49 1v31 s LEU 69 Ca 0.05 -1.00 -0.14 0.00 0.69 0.00 0.00 54.13 53.73 1v31 s LEU 69 Cb 0.03 0.82 -0.08 0.00 -0.43 0.00 0.00 46.19 46.54 1v31 s LEU 69 CO -0.11 -0.82 0.77 -0.54 -0.29 0.00 0.00 176.35 175.36 1v31 s LYS 70 N -4.00 3.93 0.42 1.98 1.02 -1.26 -1.18 119.74 120.65 1v31 s LYS 70 Ca 0.20 0.63 0.29 0.00 0.02 0.00 0.00 55.97 57.11 1v31 s LYS 70 Cb 0.05 -2.39 1.11 0.00 -0.52 0.00 0.00 37.83 36.08 1v31 s LYS 70 CO 0.01 0.06 1.84 0.74 -0.92 0.00 0.00 175.35 177.08 1v31 h PHE 71 N 1.84 0.00 0.04 3.18 0.04 0.62 -2.62 116.94 120.05 1v31 h PHE 71 Ca -0.48 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 59.92 1v31 h PHE 71 Cb 1.18 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.28 1v31 h PHE 71 CO 0.61 0.00 -2.25 0.25 -0.60 0.00 0.00 178.31 176.33 1v31 n THR 72 N -2.74 1.58 0.29 -1.55 -2.24 -1.26 -4.17 114.28 104.19 1v31 n THR 72 Ca 0.02 -0.66 0.16 0.00 -2.27 0.00 0.00 64.05 61.30 1v31 n THR 72 Cb 0.31 -1.34 0.84 0.00 -2.10 0.00 0.00 70.33 68.04 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 0.02 0.00 -1.00 -0.78 2.86 -1.90 -2.79 114.93 111.35 1v31 h MET 73 Ca -0.50 0.00 0.36 0.00 -2.06 0.00 0.00 59.70 57.50 1v31 h MET 73 Cb 2.00 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 33.50 1v31 h MET 73 CO -0.00 0.06 0.53 0.28 1.06 0.00 0.00 176.91 178.84 1v31 h VAL 74 N 0.00 0.18 -0.39 -2.22 2.07 -1.63 1.61 116.25 115.86 1v31 h VAL 74 Ca -0.00 -0.06 -0.11 0.00 0.82 0.00 0.00 66.70 67.34 1v31 h VAL 74 Cb 0.29 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1v31 h VAL 74 CO 0.01 0.03 -0.19 -1.28 0.02 0.00 0.00 177.57 176.16 1v31 h SER 75 N 0.19 0.84 0.30 0.57 0.87 -1.77 1.47 113.55 116.01 1v31 h SER 75 Ca 0.77 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1v31 h SER 75 Cb 1.87 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 1v31 h SER 75 CO -0.68 1.06 0.00 0.00 -0.53 0.00 0.00 176.83 176.68 1v31 n GLN 76 N -4.25 0.13 0.00 2.24 -0.00 0.52 -1.76 117.38 114.27 1v31 n GLN 76 Ca -0.02 0.20 0.00 0.00 -0.00 0.00 0.00 57.00 57.18 1v31 n GLN 76 Cb 0.42 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.16 1v31 n GLN 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1v31 n LYS 77 N -1.35 0.00 -0.53 2.61 4.76 0.34 -4.65 118.16 119.35 1v31 n LYS 77 Ca 0.05 0.00 0.43 0.00 -2.87 0.00 0.00 58.31 55.93 1v31 n LYS 77 Cb 0.12 -0.16 0.71 0.00 -1.84 0.00 0.00 35.03 33.86 1v31 n LYS 77 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1v31 n ILE 78 N -2.46 -0.20 -0.21 -0.18 -6.64 0.50 0.71 119.36 110.87 1v31 n ILE 78 Ca 0.00 1.75 -0.06 0.00 -1.77 0.00 0.00 62.75 62.67 1v31 n ILE 78 Cb 0.00 -2.88 -0.01 0.00 -1.44 0.00 0.00 39.64 35.31 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 -1.31 -1.32 7.28 4.64 -1.48 1.48 113.55 122.85 1v31 h SER 79 Ca 0.90 0.24 0.38 0.00 -0.47 0.00 0.00 61.79 62.84 1v31 h SER 79 Cb 3.06 0.63 -0.06 0.00 -0.31 0.00 0.00 62.40 65.72 1v31 h SER 79 CO -0.38 -0.32 0.94 0.45 -0.87 0.00 0.00 176.83 176.66 1v31 h HIS 80 N -0.18 0.03 0.10 4.77 3.86 0.02 1.20 115.15 124.96 1v31 h HIS 80 Ca 0.22 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.12 1v31 h HIS 80 Cb 0.56 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 1v31 h HIS 80 CO -0.68 -0.00 -1.63 0.45 0.86 0.00 0.00 177.93 176.93 1v31 h HIS 81 N 0.02 0.39 -1.38 2.45 3.86 0.17 -3.45 115.15 117.21 1v31 h HIS 81 Ca 0.63 -0.29 -0.64 0.00 -1.16 0.00 0.00 60.37 58.92 1v31 h HIS 81 Cb 2.50 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 30.94 1v31 h HIS 81 CO -0.00 1.40 1.45 1.28 0.86 0.00 0.00 177.93 182.92 1v31 n LEU 82 N -3.40 2.49 -4.65 2.43 4.77 0.41 -4.64 117.00 114.42 1v31 n LEU 82 Ca -0.19 0.32 -0.23 0.00 -0.03 0.00 0.00 56.01 55.88 1v31 n LEU 82 Cb 1.04 -1.36 -0.07 0.00 -2.33 0.00 0.00 43.42 40.70 1v31 n LEU 82 CO 0.48 -0.74 -0.31 -0.44 -1.33 0.00 0.00 177.39 175.06 1v31 s SER 83 N 7.77 4.45 -0.10 -1.43 0.01 -1.22 -4.91 113.70 118.28 1v31 s SER 83 Ca 1.07 -0.76 -0.30 0.00 1.31 0.00 0.00 55.95 57.27 1v31 s SER 83 Cb -0.68 -0.73 -0.03 0.00 0.21 0.00 0.00 66.02 64.80 1v31 s SER 83 CO 0.44 -0.10 1.24 -2.16 0.41 0.00 0.00 173.24 173.07 1v31 s PRO 84 N -3.71 4.29 0.98 12.44 0.04 -1.26 -0.21 135.00 147.58 1v31 s PRO 84 Ca 0.33 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 62.91 1v31 s PRO 84 Cb -0.04 -3.65 0.18 0.00 0.04 0.00 0.00 34.50 31.03 1v31 s PRO 84 CO 0.20 -0.57 1.17 -1.25 0.04 0.00 0.00 177.00 176.59 1v31 s PRO 85 N 2.80 0.53 -0.33 0.56 0.04 -1.26 -4.74 135.00 132.60 1v31 s PRO 85 Ca 0.56 0.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.36 1v31 s PRO 85 Cb -0.24 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1v31 s PRO 85 CO 0.19 -2.56 1.37 -1.25 0.04 0.00 0.00 177.00 174.78 1v31 s PRO 86 N -5.45 3.80 1.06 0.56 0.04 -1.26 -5.01 135.00 128.74 1v31 s PRO 86 Ca 0.68 1.19 -0.17 0.00 0.04 0.00 0.00 61.00 62.74 1v31 s PRO 86 Cb -0.11 -3.94 0.23 0.00 0.04 0.00 0.00 34.50 30.72 1v31 s PRO 86 CO 0.54 -1.27 1.21 -1.25 0.04 0.00 0.00 177.00 176.26 1v31 s PRO 87 N 4.45 -0.11 -0.05 0.56 0.04 -1.26 -5.08 135.00 133.55 1v31 s PRO 87 Ca 0.59 -0.18 0.03 0.00 0.04 0.00 0.00 61.00 61.48 1v31 s PRO 87 Cb -0.17 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1v31 s PRO 87 CO 0.27 -2.95 -0.12 -1.12 0.04 0.00 0.00 177.00 173.11 1v31 s SER 88 N -4.36 1.69 0.00 6.66 0.01 -1.26 -5.03 113.70 111.41 1v31 s SER 88 Ca 0.71 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.70 1v31 s SER 88 Cb -0.08 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.56 1v31 s SER 88 CO 0.54 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.88 1v31 n GLY 89 N 3.47 1.10 3.05 3.44 0.00 -1.26 -4.90 105.19 110.09 1v31 n GLY 89 Ca -0.20 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 1v31 n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v31 n PRO 90 N 2.70 2.20 -3.68 1.61 -0.04 -1.26 -4.79 135.00 131.74 1v31 n PRO 90 Ca 0.00 -2.34 -0.10 0.00 -0.04 0.00 0.00 63.50 61.03 1v31 n PRO 90 Cb 0.00 -3.20 -0.10 0.00 -0.04 0.00 0.00 33.50 30.17 1v31 n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v31 s SER 91 N 4.38 -0.64 0.08 3.54 0.15 -1.26 -5.13 113.70 114.82 1v31 s SER 91 Ca 0.54 1.08 -0.31 0.00 0.70 0.00 0.00 55.95 57.97 1v31 s SER 91 Cb 0.12 0.97 -0.08 0.00 -1.71 0.00 0.00 66.02 65.32 1v31 s SER 91 CO 0.04 -0.21 1.59 -0.55 1.20 0.00 0.00 173.24 175.32 1v31 s SER 92 N 1.37 6.64 0.00 5.45 0.15 -1.26 -5.11 113.70 120.94 1v31 s SER 92 Ca -0.09 2.46 0.00 0.00 0.70 0.00 0.00 55.95 59.02 1v31 s SER 92 Cb -0.07 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1v31 s SER 92 CO -0.14 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.07