#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 -0.31 0.17 1.61 1.04 -1.26 -5.09 113.70 109.87 1v31 s SER 2 Ca 0.00 0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1v31 s SER 2 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1v31 s SER 2 CO 0.00 -0.23 0.00 -0.24 0.98 0.00 0.00 173.24 173.75 1v31 n SER 3 N 1.09 0.08 -4.20 7.02 2.88 -1.26 -5.09 113.62 114.14 1v31 n SER 3 Ca -0.09 0.29 -0.31 0.00 -1.33 0.00 0.00 58.87 57.42 1v31 n SER 3 Cb 0.58 0.17 -0.17 0.00 -0.75 0.00 0.00 64.21 64.03 1v31 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v31 s GLY 4 N -4.84 1.29 -0.28 0.46 0.00 -1.26 -5.11 107.32 97.58 1v31 s GLY 4 Ca 0.00 -0.93 -0.19 0.00 0.00 0.00 0.00 44.72 43.61 1v31 s GLY 4 CO 0.00 -0.30 0.75 -0.45 0.00 0.00 0.00 173.10 173.10 1v31 s SER 5 N 0.36 -0.82 -0.21 1.64 0.15 -1.26 -5.07 113.70 108.49 1v31 s SER 5 Ca -0.19 1.39 -0.15 0.00 0.70 0.00 0.00 55.95 57.70 1v31 s SER 5 Cb -0.18 1.36 -0.08 0.00 -1.71 0.00 0.00 66.02 65.41 1v31 s SER 5 CO 0.09 -0.23 -0.33 -0.24 1.20 0.00 0.00 173.24 173.73 1v31 n SER 6 N 3.73 1.86 -4.84 5.45 2.88 -1.26 -5.00 113.62 116.44 1v31 n SER 6 Ca -0.18 0.32 -0.31 0.00 -1.33 0.00 0.00 58.87 57.37 1v31 n SER 6 Cb 0.58 -0.74 0.02 0.00 -0.75 0.00 0.00 64.21 63.31 1v31 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v31 s GLY 7 N -5.14 1.79 0.78 0.46 0.00 -1.26 -5.00 107.32 98.95 1v31 s GLY 7 Ca -0.32 0.09 -0.15 0.00 0.00 0.00 0.00 44.72 44.34 1v31 s GLY 7 CO 0.43 0.38 0.65 3.33 0.00 0.00 0.00 173.10 177.89 1v31 n VAL 8 N -2.60 1.58 -1.57 1.40 0.24 -1.26 -4.96 118.33 111.17 1v31 n VAL 8 Ca 0.07 -0.33 -0.31 0.00 -2.04 0.00 0.00 64.34 61.74 1v31 n VAL 8 Cb 0.54 -0.82 0.06 0.00 -1.47 0.00 0.00 33.84 32.15 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 -3.19 2.68 -0.46 7.34 0.04 -1.26 -4.86 135.00 135.30 1v31 s PRO 9 Ca 0.66 0.86 -0.42 0.00 0.04 0.00 0.00 61.00 62.14 1v31 s PRO 9 Cb -0.31 -1.97 -0.18 0.00 0.04 0.00 0.00 34.50 32.08 1v31 s PRO 9 CO 0.58 -1.26 1.66 -1.91 0.04 0.00 0.00 177.00 176.12 1v31 n GLU 10 N -3.22 0.00 -2.84 4.56 2.13 -1.26 -4.86 120.64 115.16 1v31 n GLU 10 Ca 0.07 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.59 1v31 n GLU 10 Cb 0.54 -1.37 -0.03 0.00 0.27 0.00 0.00 31.44 30.85 1v31 n GLU 10 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1v31 s LYS 11 N 3.85 3.81 -0.02 5.31 1.02 -1.26 -4.48 119.74 127.97 1v31 s LYS 11 Ca 1.01 0.53 0.02 0.00 0.02 0.00 0.00 55.97 57.55 1v31 s LYS 11 Cb -1.37 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.57 1v31 s LYS 11 CO 0.69 -0.04 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.95 1v31 s PHE 12 N -2.36 0.71 1.02 3.18 0.08 0.74 -4.45 117.98 116.91 1v31 s PHE 12 Ca 0.52 -0.16 -0.12 0.00 0.12 0.00 0.00 56.93 57.29 1v31 s PHE 12 Cb -0.10 -0.52 0.20 0.00 -0.57 0.00 0.00 43.02 42.03 1v31 s PHE 12 CO 0.30 -0.07 1.08 0.15 -0.10 0.00 0.00 175.22 176.58 1v31 s LYS 13 N 0.15 0.24 0.21 0.44 1.02 0.42 -1.96 119.74 120.27 1v31 s LYS 13 Ca -0.02 0.84 0.09 0.00 0.02 0.00 0.00 55.97 56.90 1v31 s LYS 13 Cb -0.07 -1.69 -0.04 0.00 -0.52 0.00 0.00 37.83 35.51 1v31 s LYS 13 CO -0.00 -2.94 -0.05 -0.51 -0.92 0.00 0.00 175.35 170.92 1v31 s LEU 14 N -6.68 3.08 0.52 3.17 1.02 0.10 -3.42 118.68 116.46 1v31 s LEU 14 Ca 0.66 -0.60 -0.06 0.00 0.02 0.00 0.00 54.13 54.15 1v31 s LEU 14 Cb -0.21 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.27 1v31 s LEU 14 CO 0.60 0.06 0.83 -0.44 0.02 0.00 0.00 176.35 177.42 1v31 s SER 15 N -3.18 6.13 0.40 2.29 0.01 -1.26 -4.80 113.70 113.29 1v31 s SER 15 Ca 0.28 0.93 0.14 0.00 1.31 0.00 0.00 55.95 58.61 1v31 s SER 15 Cb -0.08 -2.16 0.99 0.00 0.21 0.00 0.00 66.02 64.98 1v31 s SER 15 CO 0.17 -0.70 1.89 0.74 0.41 0.00 0.00 173.24 175.75 1v31 h THR 16 N 0.09 0.78 0.08 1.44 2.02 -1.98 1.29 112.91 116.63 1v31 h THR 16 Ca -0.46 -0.17 -0.10 0.00 0.77 0.00 0.00 66.41 66.45 1v31 h THR 16 Cb 1.21 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1v31 h THR 16 CO 0.61 0.09 -0.44 0.00 0.37 0.00 0.00 175.52 176.15 1v31 h ALA 17 N 1.62 -0.05 -0.70 6.16 0.00 -1.92 -2.83 119.26 121.54 1v31 h ALA 17 Ca 0.41 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1v31 h ALA 17 Cb 0.88 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1v31 h ALA 17 CO -0.16 0.20 0.46 1.25 0.00 0.00 0.00 179.25 181.01 1v31 h LEU 18 N -0.66 0.72 -0.93 0.00 5.85 -1.57 -0.33 115.31 118.39 1v31 h LEU 18 Ca -0.08 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 1v31 h LEU 18 Cb 1.35 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1v31 h LEU 18 CO 0.08 0.49 -0.29 0.24 -0.34 0.00 0.00 178.44 178.63 1v31 h MET 19 N 0.83 0.44 -0.00 1.25 2.86 0.15 -1.24 114.93 119.22 1v31 h MET 19 Ca 0.28 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1v31 h MET 19 Cb 0.09 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1v31 h MET 19 CO -0.08 0.69 0.00 -0.25 1.06 0.00 0.00 176.91 178.33 1v31 n ASP 20 N -4.10 0.20 -0.10 1.22 9.92 -0.23 -0.86 116.55 122.60 1v31 n ASP 20 Ca -0.01 -1.12 -0.15 0.00 -0.53 0.00 0.00 54.79 52.99 1v31 n ASP 20 Cb 0.42 -0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.85 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 -0.82 1.50 -0.08 2.53 0.31 -0.56 -4.84 118.33 116.36 1v31 n VAL 21 Ca 0.22 -0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.46 1v31 n VAL 21 Cb 0.14 -2.21 -0.03 0.00 -0.91 0.00 0.00 33.84 30.83 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 -4.42 1.88 0.00 7.52 4.77 -0.64 -5.05 117.00 121.07 1v31 n LEU 22 Ca -0.25 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1v31 n LEU 22 Cb 0.60 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1v31 n LEU 22 CO 0.15 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.51 1v31 n GLY 23 N 1.52 1.80 3.56 -0.72 0.00 -0.04 -5.06 105.19 106.25 1v31 n GLY 23 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 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 2.67 -0.10 -0.61 -4.36 -1.26 -5.06 121.20 110.49 1v31 s ILE 24 Ca 0.00 -2.15 -0.01 0.00 -0.26 0.00 0.00 60.65 58.23 1v31 s ILE 24 Cb 0.00 -2.61 -0.06 0.00 1.25 0.00 0.00 42.46 41.05 1v31 s ILE 24 CO 0.00 -0.31 -0.10 -1.84 0.24 0.00 0.00 174.94 172.94 1v31 n GLU 25 N -0.80 0.23 -3.58 0.37 0.28 -1.26 -4.52 120.64 111.36 1v31 n GLU 25 Ca -0.05 0.07 -0.26 0.00 -0.16 0.00 0.00 57.16 56.76 1v31 n GLU 25 Cb 0.61 -1.10 -0.16 0.00 1.43 0.00 0.00 31.44 32.22 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 -2.19 -0.12 0.32 3.84 1.01 -1.26 -0.73 120.40 121.27 1v31 s VAL 26 Ca -0.13 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1v31 s VAL 26 Cb 0.04 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 1v31 s VAL 26 CO 0.21 -0.35 0.09 -0.70 0.00 0.00 0.00 175.10 174.35 1v31 s GLU 27 N 2.16 1.62 0.00 2.72 2.56 -0.83 -4.88 118.70 122.05 1v31 s GLU 27 Ca 0.04 -1.91 0.00 0.00 0.00 0.00 0.00 54.97 53.10 1v31 s GLU 27 Cb -0.16 -0.56 0.00 0.00 2.00 0.00 0.00 34.13 35.41 1v31 s GLU 27 CO -0.14 -0.29 0.00 0.25 -0.56 0.00 0.00 175.26 174.51 1v31 n THR 28 N -0.65 0.00 0.01 -1.70 -2.24 -1.26 -0.18 114.28 108.25 1v31 n THR 28 Ca -0.02 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.56 1v31 n THR 28 Cb 0.66 -1.42 -0.14 0.00 -2.10 0.00 0.00 70.33 67.33 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 0.22 0.17 -0.78 2.43 -1.91 -3.33 114.38 111.18 1v31 h ARG 29 Ca 0.00 -0.37 -0.01 0.00 -0.81 0.00 0.00 59.98 58.79 1v31 h ARG 29 Cb 0.00 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1v31 h ARG 29 CO 0.00 1.18 -0.08 -1.00 -1.51 0.00 0.00 179.97 178.55 1v31 h PRO 30 N -0.46 -0.23 -0.78 0.20 0.13 -1.97 -2.80 132.00 126.08 1v31 h PRO 30 Ca -0.22 0.02 0.30 0.00 -0.87 0.00 0.00 66.00 65.23 1v31 h PRO 30 Cb 1.60 0.05 -0.14 0.00 0.13 0.00 0.00 31.00 32.64 1v31 h PRO 30 CO 0.06 0.09 0.31 0.54 -0.23 0.00 0.00 178.00 178.77 1v31 n ARG 31 N -4.92 -0.05 0.19 0.86 5.12 -1.26 0.12 116.66 116.72 1v31 n ARG 31 Ca -0.06 1.11 -0.08 0.00 -1.93 0.00 0.00 57.85 56.89 1v31 n ARG 31 Cb 0.21 -1.92 -0.04 0.00 -1.16 0.00 0.00 32.46 29.55 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 -0.78 0.55 2.04 -1.67 0.36 117.51 118.02 1v31 h ILE 32 Ca 0.61 -0.42 0.18 0.00 1.00 0.00 0.00 64.86 66.23 1v31 h ILE 32 Cb 1.55 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.49 1v31 h ILE 32 CO -0.64 0.00 -0.04 0.40 0.00 0.00 0.00 178.15 177.87 1v31 h ILE 33 N -0.96 0.29 -0.07 -0.67 2.04 0.29 0.32 117.51 118.75 1v31 h ILE 33 Ca -0.06 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1v31 h ILE 33 Cb 0.41 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1v31 h ILE 33 CO 0.09 0.01 0.02 0.00 0.00 0.00 0.00 178.15 178.28 1v31 h ALA 34 N 1.75 0.10 -1.13 1.87 0.00 0.88 0.59 119.26 123.31 1v31 h ALA 34 Ca 0.42 -0.11 0.33 0.00 0.00 0.00 0.00 54.91 55.54 1v31 h ALA 34 Cb 0.74 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 1v31 h ALA 34 CO -0.72 -0.30 0.72 0.00 0.00 0.00 0.00 179.25 178.96 1v31 h ALA 35 N 0.83 2.38 0.07 0.00 0.00 0.34 1.65 119.26 124.52 1v31 h ALA 35 Ca 0.02 0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.77 1v31 h ALA 35 Cb 0.21 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1v31 h ALA 35 CO -0.00 -0.87 -1.17 0.82 0.00 0.00 0.00 179.25 178.03 1v31 h ILE 36 N 0.28 1.56 0.63 0.00 2.04 -0.31 -1.70 117.51 120.02 1v31 h ILE 36 Ca 0.68 -3.20 -0.03 0.00 1.00 0.00 0.00 64.86 63.31 1v31 h ILE 36 Cb 1.87 2.88 0.01 0.00 -0.74 0.00 0.00 36.82 40.84 1v31 h ILE 36 CO -0.36 0.92 -0.30 -0.50 0.00 0.00 0.00 178.15 177.90 1v31 h TRP 37 N 0.04 -0.78 0.66 1.37 4.06 0.44 -0.05 115.95 121.69 1v31 h TRP 37 Ca -0.09 -0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.81 1v31 h TRP 37 Cb 1.89 0.26 0.00 0.00 -1.00 0.00 0.00 29.16 30.31 1v31 h TRP 37 CO 0.03 -0.44 -0.34 1.25 -3.56 0.00 0.00 178.44 175.38 1v31 h HIS 38 N -0.98 -0.88 -0.94 0.49 -0.00 0.06 -1.75 115.15 111.15 1v31 h HIS 38 Ca -0.09 -0.02 0.15 0.00 -0.00 0.00 0.00 60.37 60.41 1v31 h HIS 38 Cb 0.69 0.30 -0.15 0.00 -0.00 0.00 0.00 27.41 28.24 1v31 h HIS 38 CO -0.01 -0.53 -0.36 0.98 -0.00 0.00 0.00 177.93 178.00 1v31 n TYR 39 N -4.52 0.03 -0.10 5.26 9.36 -0.64 0.18 117.16 126.73 1v31 n TYR 39 Ca -0.11 1.16 -0.06 0.00 3.32 0.00 0.00 57.90 62.21 1v31 n TYR 39 Cb 0.37 -0.85 0.01 0.00 -0.63 0.00 0.00 39.34 38.23 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 0.58 0.11 2.97 2.07 -0.88 0.70 116.25 121.81 1v31 h VAL 40 Ca 0.33 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.84 1v31 h VAL 40 Cb 0.56 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1v31 h VAL 40 CO -0.93 0.00 -0.05 0.11 0.02 0.00 0.00 177.57 176.71 1v31 h LYS 41 N -0.04 -0.15 -0.92 1.57 1.57 0.16 1.24 116.57 120.00 1v31 h LYS 41 Ca 0.18 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 59.17 1v31 h LYS 41 Cb 0.31 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.58 1v31 h LYS 41 CO -0.39 0.02 0.60 0.00 -0.57 0.00 0.00 179.45 179.11 1v31 h ALA 42 N 0.59 2.14 -0.37 3.86 0.00 0.28 1.40 119.26 127.16 1v31 h ALA 42 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1v31 h ALA 42 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1v31 h ALA 42 CO 0.03 -0.44 0.00 0.54 0.00 0.00 0.00 179.25 179.38 1v31 n ARG 43 N -4.54 3.39 -3.41 0.00 5.12 0.24 -4.87 116.66 112.58 1v31 n ARG 43 Ca 0.20 -1.96 -0.20 0.00 -1.93 0.00 0.00 57.85 53.95 1v31 n ARG 43 Cb 0.68 -1.95 -0.03 0.00 -1.16 0.00 0.00 32.46 30.00 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 0.42 -2.20 0.09 5.56 4.76 0.48 -4.74 118.16 122.53 1v31 n LYS 44 Ca 0.17 0.15 -0.04 0.00 -2.87 0.00 0.00 58.31 55.72 1v31 n LYS 44 Cb 0.82 -4.72 -0.02 0.00 -1.84 0.00 0.00 35.03 29.28 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 -0.49 0.00 -8.40 -0.35 3.38 0.13 -3.46 115.31 106.12 1v31 h LEU 45 Ca -0.31 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.05 1v31 h LEU 45 Cb 1.20 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.07 1v31 h LEU 45 CO 0.44 0.85 -0.60 1.67 0.09 0.00 0.00 178.44 180.88 1v31 n GLN 46 N -3.48 0.00 -3.63 1.13 7.27 -1.22 -0.25 117.38 117.20 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 0.82 -0.93 -0.07 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 -0.93 6.48 -0.02 1.69 3.84 -0.97 -4.60 114.94 120.43 1v31 s ASN 47 Ca 0.58 0.57 -0.22 0.00 0.21 0.00 0.00 52.86 54.00 1v31 s ASN 47 Cb -0.79 -2.16 -0.22 0.00 -0.55 0.00 0.00 41.25 37.52 1v31 s ASN 47 CO 0.54 0.23 1.09 1.55 -2.79 0.00 0.00 177.10 177.72 1v31 h PRO 48 N 5.83 0.27 -0.51 0.43 0.13 -1.90 -3.25 132.00 132.99 1v31 h PRO 48 Ca -0.47 -0.26 0.10 0.00 -0.87 0.00 0.00 66.00 64.50 1v31 h PRO 48 Cb 1.19 0.07 -0.08 0.00 0.13 0.00 0.00 31.00 32.31 1v31 h PRO 48 CO 0.68 0.95 0.03 -0.91 -0.23 0.00 0.00 178.00 178.53 1v31 h ASN 49 N -0.32 -0.15 -3.22 1.44 2.35 -1.96 -3.38 115.58 110.35 1v31 h ASN 49 Ca -0.04 0.11 -0.56 0.00 -0.55 0.00 0.00 56.30 55.27 1v31 h ASN 49 Cb 1.05 0.19 -0.37 0.00 0.05 0.00 0.00 38.32 39.24 1v31 h ASN 49 CO 0.07 -0.05 -0.81 -1.81 -1.65 0.00 0.00 177.43 173.18 1v31 s ASP 50 N -5.27 2.58 0.33 5.81 1.11 -1.24 -4.99 116.67 115.01 1v31 s ASP 50 Ca -0.13 -0.49 0.26 0.00 0.18 0.00 0.00 52.55 52.37 1v31 s ASP 50 Cb 0.16 -0.98 0.89 0.00 1.07 0.00 0.00 42.92 44.06 1v31 s ASP 50 CO 0.73 -0.12 1.77 1.55 1.18 0.00 0.00 175.17 180.27 1v31 h PRO 51 N 8.11 0.00 0.00 8.23 0.13 -1.74 -2.65 132.00 144.08 1v31 h PRO 51 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1v31 h PRO 51 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1v31 h PRO 51 CO 0.44 0.00 -0.47 1.03 -0.23 0.00 0.00 178.00 178.77 1v31 h SER 52 N 0.00 0.00 -1.75 1.44 0.87 -1.94 -3.47 113.55 108.70 1v31 h SER 52 Ca 0.00 -0.08 -0.52 0.00 -1.23 0.00 0.00 61.79 59.95 1v31 h SER 52 Cb 0.62 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.52 1v31 h SER 52 CO 0.00 0.04 -0.48 -0.36 -0.53 0.00 0.00 176.83 175.51 1v31 s PHE 53 N -3.21 2.74 -0.08 2.24 0.08 -1.00 0.20 117.98 118.95 1v31 s PHE 53 Ca 0.06 -0.41 -0.17 0.00 0.12 0.00 0.00 56.93 56.52 1v31 s PHE 53 Cb 0.11 -1.84 0.04 0.00 -0.57 0.00 0.00 43.02 40.75 1v31 s PHE 53 CO 0.70 0.18 0.41 -0.59 -0.10 0.00 0.00 175.22 175.82 1v31 s PHE 54 N -2.43 -0.37 0.56 0.36 -0.12 0.41 -2.28 117.98 114.12 1v31 s PHE 54 Ca 0.41 0.75 -0.16 0.00 -0.05 0.00 0.00 56.93 57.89 1v31 s PHE 54 Cb -0.03 0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 42.48 1v31 s PHE 54 CO 0.25 -0.35 1.02 -0.80 -0.05 0.00 0.00 175.22 175.29 1v31 s ASN 55 N -0.65 6.18 0.40 1.98 0.01 0.65 -1.74 114.94 121.77 1v31 s ASN 55 Ca -0.07 1.67 -0.07 0.00 -0.71 0.00 0.00 52.86 53.68 1v31 s ASN 55 Cb -0.04 -2.52 -0.05 0.00 0.41 0.00 0.00 41.25 39.06 1v31 s ASN 55 CO 0.03 -0.89 0.71 0.00 -1.51 0.00 0.00 177.10 175.44 1v31 n ASP 57 N -1.55 1.89 0.00 0.00 8.00 -1.26 -5.02 116.55 118.60 1v31 n ASP 57 Ca 0.00 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1v31 n ASP 57 Cb 0.54 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1v31 n ASP 57 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1v31 n ALA 58 N -4.23 0.00 0.02 2.24 0.00 -1.26 -4.94 120.51 112.33 1v31 n ALA 58 Ca -0.48 0.00 0.03 0.00 0.00 0.00 0.00 53.44 52.99 1v31 n ALA 58 Cb 0.83 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.19 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 2.16 0.23 0.00 0.00 -1.26 -3.85 120.51 117.79 1v31 n ALA 59 Ca 0.00 -0.59 0.11 0.00 0.00 0.00 0.00 53.44 52.97 1v31 n ALA 59 Cb 0.00 -0.84 0.49 0.00 0.00 0.00 0.00 19.45 19.10 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 0.45 0.00 3.38 -1.92 -3.25 115.31 113.97 1v31 h LEU 60 Ca -0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1v31 h LEU 60 Cb 1.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1v31 h LEU 60 CO 0.03 0.17 -0.21 1.56 0.09 0.00 0.00 178.44 180.08 1v31 h GLN 61 N 0.00 -0.58 -1.91 1.13 1.08 -1.86 -0.36 115.11 112.62 1v31 h GLN 61 Ca -0.00 0.04 0.56 0.00 -1.45 0.00 0.00 58.65 57.80 1v31 h GLN 61 Cb 0.71 0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 28.19 1v31 h GLN 61 CO 0.02 -0.38 1.36 1.63 -0.95 0.00 0.00 178.83 180.51 1v31 n LYS 62 N -4.02 -0.00 0.03 1.46 5.02 -1.23 0.18 118.16 119.61 1v31 n LYS 62 Ca -0.07 1.08 -0.02 0.00 -2.02 0.00 0.00 58.31 57.28 1v31 n LYS 62 Cb 0.24 -2.47 -0.01 0.00 -0.02 0.00 0.00 35.03 32.77 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 -1.55 -3.44 116.25 113.16 1v31 h VAL 63 Ca 0.93 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 68.08 1v31 h VAL 63 Cb 3.66 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1v31 h VAL 63 CO -0.05 0.00 -0.27 -0.26 0.02 0.00 0.00 177.57 177.01 1v31 h PHE 64 N -0.50 0.00 0.00 1.57 0.04 0.14 -3.50 116.94 114.70 1v31 h PHE 64 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1v31 h PHE 64 Cb 0.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1v31 h PHE 64 CO 0.03 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.15 1v31 n GLY 65 N 1.69 0.88 3.90 -1.45 0.00 0.49 -5.00 105.19 105.69 1v31 n GLY 65 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.37 3.46 0.24 1.61 2.02 -1.26 -4.99 118.70 119.41 1v31 s GLU 66 Ca 0.00 -0.24 -0.05 0.00 0.02 0.00 0.00 54.97 54.71 1v31 s GLU 66 Cb 0.00 -3.12 0.44 0.00 0.10 0.00 0.00 34.13 31.55 1v31 s GLU 66 CO 0.00 0.70 1.73 1.05 0.02 0.00 0.00 175.26 178.75 1v31 h GLU 67 N 4.12 0.41 -4.50 1.61 4.11 -1.98 -3.44 114.58 114.91 1v31 h GLU 67 Ca -0.50 -0.02 -0.20 0.00 0.07 0.00 0.00 59.36 58.70 1v31 h GLU 67 Cb 1.20 -0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.21 1v31 h GLU 67 CO 0.66 0.27 -0.67 -1.59 0.07 0.00 0.00 179.01 177.76 1v31 s LYS 68 N -6.03 0.88 0.21 1.06 -2.85 -1.26 0.10 119.74 111.85 1v31 s LYS 68 Ca -0.12 -1.39 -0.11 0.00 -1.00 0.00 0.00 55.97 53.35 1v31 s LYS 68 Cb 0.20 0.05 -0.01 0.00 -2.06 0.00 0.00 37.83 36.01 1v31 s LYS 68 CO 0.76 -0.16 0.37 -1.17 0.10 0.00 0.00 175.35 175.25 1v31 s LEU 69 N -3.05 0.63 0.34 2.77 0.20 -0.71 -4.93 118.68 113.93 1v31 s LEU 69 Ca 0.18 -0.91 -0.13 0.00 0.69 0.00 0.00 54.13 53.96 1v31 s LEU 69 Cb 0.07 1.44 -0.08 0.00 -0.43 0.00 0.00 46.19 47.19 1v31 s LEU 69 CO -0.01 -1.01 0.72 -0.54 -0.29 0.00 0.00 176.35 175.22 1v31 s LYS 70 N -4.00 3.89 0.52 1.98 1.02 -1.26 -0.44 119.74 121.46 1v31 s LYS 70 Ca 0.21 0.53 0.31 0.00 0.02 0.00 0.00 55.97 57.04 1v31 s LYS 70 Cb 0.02 -2.45 1.11 0.00 -0.52 0.00 0.00 37.83 35.99 1v31 s LYS 70 CO 0.05 0.12 1.89 0.74 -0.92 0.00 0.00 175.35 177.22 1v31 h PHE 71 N 1.95 0.00 0.04 3.18 0.04 0.19 -2.90 116.94 119.44 1v31 h PHE 71 Ca -0.47 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 59.95 1v31 h PHE 71 Cb 1.18 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.29 1v31 h PHE 71 CO 0.61 0.00 -1.96 0.25 -0.60 0.00 0.00 178.31 176.61 1v31 n THR 72 N -3.10 1.61 -0.24 -1.55 -2.24 -1.26 -4.24 114.28 103.27 1v31 n THR 72 Ca 0.01 -0.40 0.17 0.00 -2.27 0.00 0.00 64.05 61.57 1v31 n THR 72 Cb 0.36 -1.80 0.48 0.00 -2.10 0.00 0.00 70.33 67.28 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 -0.46 0.45 -0.99 -0.78 2.86 -1.92 -1.79 114.93 112.31 1v31 h MET 73 Ca -0.48 -0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.27 1v31 h MET 73 Cb 1.71 -0.10 -0.15 0.00 0.06 0.00 0.00 31.60 33.12 1v31 h MET 73 CO -0.13 0.30 -0.45 0.28 1.06 0.00 0.00 176.91 177.98 1v31 h VAL 74 N 0.47 0.00 -0.87 -2.22 2.07 -1.68 1.36 116.25 115.37 1v31 h VAL 74 Ca 0.46 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.32 1v31 h VAL 74 Cb 1.04 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.66 1v31 h VAL 74 CO -0.18 0.00 0.38 -0.24 0.02 0.00 0.00 177.57 177.55 1v31 n SER 75 N -5.41 0.22 0.08 0.57 2.88 -0.67 0.10 113.62 111.40 1v31 n SER 75 Ca 0.08 1.46 -0.05 0.00 -1.33 0.00 0.00 58.87 59.02 1v31 n SER 75 Cb 0.36 -0.67 -0.02 0.00 -0.75 0.00 0.00 64.21 63.12 1v31 n SER 75 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1v31 h GLN 76 N 0.00 -0.30 -0.30 -1.46 4.15 0.16 -2.66 115.11 114.69 1v31 h GLN 76 Ca 0.70 0.02 0.04 0.00 0.77 0.00 0.00 58.65 60.18 1v31 h GLN 76 Cb 1.79 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 29.48 1v31 h GLN 76 CO -0.70 -0.20 -0.48 0.87 -1.93 0.00 0.00 178.83 176.39 1v31 h LYS 77 N -1.07 -0.36 -1.02 1.69 6.56 0.71 0.48 116.57 123.56 1v31 h LYS 77 Ca -0.03 0.02 0.28 0.00 -1.06 0.00 0.00 60.65 59.86 1v31 h LYS 77 Cb 0.24 0.08 -0.13 0.00 -0.57 0.00 0.00 32.23 31.85 1v31 h LYS 77 CO 0.05 -0.24 0.61 -0.84 -2.06 0.00 0.00 179.45 176.97 1v31 h ILE 78 N -0.37 0.44 -0.74 1.86 -0.00 0.55 0.40 117.51 119.65 1v31 h ILE 78 Ca 0.06 -0.16 0.17 0.00 -0.00 0.00 0.00 64.86 64.93 1v31 h ILE 78 Cb 0.52 -0.05 -0.13 0.00 -0.00 0.00 0.00 36.82 37.16 1v31 h ILE 78 CO -0.48 0.08 0.02 0.77 -0.00 0.00 0.00 178.15 178.53 1v31 h SER 79 N 0.45 -0.32 -0.21 2.16 4.64 0.32 1.91 113.55 122.50 1v31 h SER 79 Ca 0.68 0.19 0.06 0.00 -0.47 0.00 0.00 61.79 62.25 1v31 h SER 79 Cb 1.47 0.33 -0.01 0.00 -0.31 0.00 0.00 62.40 63.88 1v31 h SER 79 CO -0.49 -0.16 0.17 0.45 -0.87 0.00 0.00 176.83 175.92 1v31 h HIS 80 N 0.11 0.00 0.12 4.77 3.86 0.15 -0.89 115.15 123.27 1v31 h HIS 80 Ca 0.40 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.28 1v31 h HIS 80 Cb 0.70 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 1v31 h HIS 80 CO -0.41 0.00 -1.76 0.45 0.86 0.00 0.00 177.93 177.07 1v31 h HIS 81 N 0.00 0.47 -1.91 2.45 3.86 0.22 -3.45 115.15 116.79 1v31 h HIS 81 Ca 0.10 -0.34 -0.64 0.00 -1.16 0.00 0.00 60.37 58.33 1v31 h HIS 81 Cb 0.44 -0.02 0.02 0.00 1.06 0.00 0.00 27.41 28.90 1v31 h HIS 81 CO 0.00 1.54 1.09 1.28 0.86 0.00 0.00 177.93 182.69 1v31 n LEU 82 N -3.44 3.22 -4.22 2.43 4.77 0.53 -4.63 117.00 115.66 1v31 n LEU 82 Ca -0.24 0.96 -0.13 0.00 -0.03 0.00 0.00 56.01 56.57 1v31 n LEU 82 Cb 1.05 -1.33 -0.10 0.00 -2.33 0.00 0.00 43.42 40.72 1v31 n LEU 82 CO 0.48 -0.15 -0.40 -0.44 -1.33 0.00 0.00 177.39 175.55 1v31 s SER 83 N 4.21 1.51 -0.09 -1.43 0.01 -1.22 -4.91 113.70 111.78 1v31 s SER 83 Ca 0.95 -1.01 -0.30 0.00 1.31 0.00 0.00 55.95 56.90 1v31 s SER 83 Cb -0.76 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 65.48 1v31 s SER 83 CO 0.54 -0.39 1.24 -2.16 0.41 0.00 0.00 173.24 172.88 1v31 s PRO 84 N -3.79 4.31 0.98 12.44 0.04 -1.26 0.16 135.00 147.88 1v31 s PRO 84 Ca 0.15 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 1v31 s PRO 84 Cb 0.04 -3.63 0.18 0.00 0.04 0.00 0.00 34.50 31.13 1v31 s PRO 84 CO -0.02 -0.54 1.17 -1.25 0.04 0.00 0.00 177.00 176.40 1v31 s PRO 85 N 2.66 0.53 -0.33 0.56 0.04 -1.26 -4.76 135.00 132.44 1v31 s PRO 85 Ca 0.56 0.06 -0.29 0.00 0.04 0.00 0.00 61.00 61.37 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 0.20 -2.56 1.36 -1.25 0.04 0.00 0.00 177.00 174.79 1v31 s PRO 86 N -5.44 3.80 0.60 0.56 0.04 -1.26 -5.00 135.00 128.29 1v31 s PRO 86 Ca 0.68 1.18 -0.15 0.00 0.04 0.00 0.00 61.00 62.75 1v31 s PRO 86 Cb -0.11 -3.94 -0.03 0.00 0.04 0.00 0.00 34.50 30.45 1v31 s PRO 86 CO 0.54 -1.28 1.05 -1.25 0.04 0.00 0.00 177.00 176.10 1v31 s PRO 87 N 4.46 3.33 -0.07 0.56 0.04 -1.26 -5.01 135.00 137.04 1v31 s PRO 87 Ca 0.59 1.14 -0.09 0.00 0.04 0.00 0.00 61.00 62.68 1v31 s PRO 87 Cb -0.16 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1v31 s PRO 87 CO 0.27 -0.79 -0.19 0.43 0.04 0.00 0.00 177.00 176.76 1v31 n SER 88 N -2.14 1.43 -0.30 6.66 7.64 -1.26 -5.14 113.62 120.51 1v31 n SER 88 Ca 0.08 0.23 0.04 0.00 1.01 0.00 0.00 58.87 60.23 1v31 n SER 88 Cb 0.53 -0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1v31 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v31 n GLY 89 N 2.32 -2.03 0.11 0.23 0.00 -1.26 -4.56 105.19 100.00 1v31 n GLY 89 Ca -0.13 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.37 1v31 n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v31 h PRO 90 N -0.29 -0.13 -5.82 1.61 0.13 -2.08 -3.38 132.00 122.04 1v31 h PRO 90 Ca -0.02 0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.54 1v31 h PRO 90 Cb 0.28 0.03 -0.07 0.00 0.13 0.00 0.00 31.00 31.37 1v31 h PRO 90 CO 0.01 0.36 1.80 -1.54 -0.23 0.00 0.00 178.00 178.40 1v31 s SER 91 N -5.64 6.36 0.01 1.44 1.04 -1.26 -4.90 113.70 110.74 1v31 s SER 91 Ca -0.12 -2.04 0.03 0.00 0.48 0.00 0.00 55.95 54.30 1v31 s SER 91 Cb -0.00 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.53 1v31 s SER 91 CO 0.47 -1.67 -0.10 -0.94 0.98 0.00 0.00 173.24 171.98 1v31 s SER 92 N 4.98 1.22 0.00 7.02 1.04 -1.26 -5.14 113.70 121.55 1v31 s SER 92 Ca 0.56 -0.28 0.07 0.00 0.48 0.00 0.00 55.95 56.78 1v31 s SER 92 Cb 0.02 -0.10 0.06 0.00 0.10 0.00 0.00 66.02 66.09 1v31 s SER 92 CO 0.05 0.06 0.73 0.61 0.98 0.00 0.00 173.24 175.68