#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 -3.12 -4.69 1.61 2.88 -1.26 -5.09 113.62 103.95 1v31 n SER 2 Ca 0.00 0.71 -0.57 0.00 -1.33 0.00 0.00 58.87 57.68 1v31 n SER 2 Cb 0.00 2.99 -0.07 0.00 -0.75 0.00 0.00 64.21 66.38 1v31 n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1v31 n SER 3 N -3.28 2.41 -2.26 -3.46 3.41 -1.26 -3.59 113.62 105.58 1v31 n SER 3 Ca 0.00 1.03 -0.02 0.00 -0.26 0.00 0.00 58.87 59.62 1v31 n SER 3 Cb 0.00 -1.15 -0.02 0.00 -0.26 0.00 0.00 64.21 62.78 1v31 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v31 n GLY 4 N 4.40 -4.19 2.82 5.00 0.00 -1.26 -5.07 105.19 106.89 1v31 n GLY 4 Ca 0.28 0.68 -0.16 0.00 0.00 0.00 0.00 46.02 46.81 1v31 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v31 s SER 5 N -0.74 0.37 -0.16 1.61 1.04 -1.24 -5.12 113.70 109.45 1v31 s SER 5 Ca -0.10 -0.02 -0.00 0.00 0.48 0.00 0.00 55.95 56.30 1v31 s SER 5 Cb 0.01 -0.19 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 1v31 s SER 5 CO 0.52 -0.09 -0.14 -0.94 0.98 0.00 0.00 173.24 173.58 1v31 s SER 6 N 0.91 3.76 0.00 7.02 1.04 -1.26 -4.78 113.70 120.39 1v31 s SER 6 Ca -0.09 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1v31 s SER 6 Cb -0.12 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 64.41 1v31 s SER 6 CO -0.02 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1v31 n GLY 7 N 4.14 2.10 3.44 7.32 0.00 -1.26 -5.10 105.19 115.83 1v31 n GLY 7 Ca -0.19 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 1v31 n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1v31 n VAL 8 N 0.00 1.12 -2.15 1.61 0.24 -1.26 -4.93 118.33 112.95 1v31 n VAL 8 Ca 0.00 -0.33 -0.33 0.00 -2.04 0.00 0.00 64.34 61.64 1v31 n VAL 8 Cb 0.00 -0.68 -0.00 0.00 -1.47 0.00 0.00 33.84 31.69 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 -3.05 3.46 -0.10 7.34 0.04 -1.26 -5.06 135.00 136.37 1v31 s PRO 9 Ca 0.62 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.89 1v31 s PRO 9 Cb -0.30 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.19 1v31 s PRO 9 CO 0.62 -0.70 -0.23 -1.83 0.04 0.00 0.00 177.00 174.90 1v31 s GLU 10 N -3.97 3.02 0.49 4.56 -1.05 -1.26 -5.12 118.70 115.36 1v31 s GLU 10 Ca 0.63 -0.86 -0.19 0.00 -0.15 0.00 0.00 54.97 54.40 1v31 s GLU 10 Cb -0.15 -2.32 -0.09 0.00 -0.44 0.00 0.00 34.13 31.14 1v31 s GLU 10 CO 0.34 0.21 1.00 0.15 0.95 0.00 0.00 175.26 177.91 1v31 s LYS 11 N 0.27 3.93 -0.05 -4.83 1.02 -1.26 -4.52 119.74 114.29 1v31 s LYS 11 Ca -0.16 1.15 0.04 0.00 0.02 0.00 0.00 55.97 57.02 1v31 s LYS 11 Cb -0.17 -2.13 -0.00 0.00 -0.52 0.00 0.00 37.83 35.01 1v31 s LYS 11 CO 0.08 -0.30 -0.18 -0.06 -0.92 0.00 0.00 175.35 173.97 1v31 s PHE 12 N -2.28 1.83 0.05 3.18 0.08 0.51 -4.39 117.98 116.96 1v31 s PHE 12 Ca 0.63 -0.57 -0.31 0.00 0.12 0.00 0.00 56.93 56.80 1v31 s PHE 12 Cb -0.12 -1.24 -0.06 0.00 -0.57 0.00 0.00 43.02 41.03 1v31 s PHE 12 CO 0.23 -0.20 1.35 0.21 -0.10 0.00 0.00 175.22 176.70 1v31 s LYS 13 N 0.11 4.33 0.88 0.44 2.20 0.20 -1.07 119.74 126.83 1v31 s LYS 13 Ca -0.06 1.96 -0.12 0.00 -0.36 0.00 0.00 55.97 57.39 1v31 s LYS 13 Cb -0.13 -3.41 0.12 0.00 -1.51 0.00 0.00 37.83 32.90 1v31 s LYS 13 CO 0.03 -0.46 1.10 -0.51 -0.36 0.00 0.00 175.35 175.15 1v31 s LEU 14 N 1.66 2.22 0.66 5.43 1.02 0.32 -2.24 118.68 127.74 1v31 s LEU 14 Ca 0.63 1.29 0.03 0.00 0.02 0.00 0.00 54.13 56.10 1v31 s LEU 14 Cb -0.33 -3.72 0.11 0.00 0.02 0.00 0.00 46.19 42.27 1v31 s LEU 14 CO 0.28 -2.49 0.92 -0.44 0.02 0.00 0.00 176.35 174.64 1v31 s SER 15 N -3.68 4.63 0.36 2.29 0.01 -1.26 -4.80 113.70 111.24 1v31 s SER 15 Ca 0.63 -0.55 0.07 0.00 1.31 0.00 0.00 55.95 57.40 1v31 s SER 15 Cb -0.16 0.11 0.70 0.00 0.21 0.00 0.00 66.02 66.87 1v31 s SER 15 CO 0.56 -1.66 1.90 0.74 0.41 0.00 0.00 173.24 175.18 1v31 h THR 16 N -0.26 1.18 0.08 1.44 2.02 -1.97 0.49 112.91 115.90 1v31 h THR 16 Ca -0.34 -0.77 -0.19 0.00 0.77 0.00 0.00 66.41 65.89 1v31 h THR 16 Cb 1.27 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1v31 h THR 16 CO 0.40 0.25 -0.93 0.00 0.37 0.00 0.00 175.52 175.61 1v31 h ALA 17 N 1.58 0.08 -0.38 6.16 0.00 -1.94 -3.28 119.26 121.48 1v31 h ALA 17 Ca 0.08 -0.87 0.03 0.00 0.00 0.00 0.00 54.91 54.15 1v31 h ALA 17 Cb 0.34 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1v31 h ALA 17 CO 0.02 0.51 0.19 1.25 0.00 0.00 0.00 179.25 181.21 1v31 h LEU 18 N -0.56 0.27 -1.42 0.00 5.85 -1.84 0.14 115.31 117.74 1v31 h LEU 18 Ca -0.20 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1v31 h LEU 18 Cb 1.51 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.51 1v31 h LEU 18 CO 0.04 0.20 0.07 0.24 -0.34 0.00 0.00 178.44 178.64 1v31 h MET 19 N 0.38 0.00 -0.02 1.25 2.86 -0.14 1.05 114.93 120.31 1v31 h MET 19 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1v31 h MET 19 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1v31 h MET 19 CO -0.11 0.00 -0.08 -3.47 1.06 0.00 0.00 176.91 174.31 1v31 n ASP 20 N -2.28 2.48 -0.10 1.22 -0.08 0.40 -3.03 116.55 115.15 1v31 n ASP 20 Ca -0.01 -1.74 -0.17 0.00 -1.51 0.00 0.00 54.79 51.36 1v31 n ASP 20 Cb 0.10 0.09 -0.07 0.00 2.34 0.00 0.00 41.12 43.58 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 0.88 1.50 -0.10 5.18 0.31 0.36 -4.80 118.33 121.65 1v31 n VAL 21 Ca 0.11 -0.01 -0.15 0.00 -0.01 0.00 0.00 64.34 64.28 1v31 n VAL 21 Cb 0.47 -2.15 -0.05 0.00 -0.91 0.00 0.00 33.84 31.21 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 -4.45 1.94 0.00 7.52 4.77 -0.80 -5.05 117.00 120.93 1v31 n LEU 22 Ca -0.27 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1v31 n LEU 22 Cb 0.59 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1v31 n LEU 22 CO 0.14 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1v31 n GLY 23 N 1.40 1.50 3.47 -0.72 0.00 -1.17 -5.08 105.19 104.60 1v31 n GLY 23 Ca -0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 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 2.52 -0.21 -0.61 -4.36 -1.26 -5.05 121.20 110.23 1v31 s ILE 24 Ca 0.00 -2.30 0.07 0.00 -0.26 0.00 0.00 60.65 58.16 1v31 s ILE 24 Cb 0.00 -2.30 -0.21 0.00 1.25 0.00 0.00 42.46 41.20 1v31 s ILE 24 CO 0.00 -0.34 -0.01 -1.84 0.24 0.00 0.00 174.94 172.99 1v31 n GLU 25 N -0.46 0.67 -3.15 0.37 0.28 -1.26 -4.40 120.64 112.69 1v31 n GLU 25 Ca -0.07 0.11 0.04 0.00 -0.16 0.00 0.00 57.16 57.09 1v31 n GLU 25 Cb 0.59 -1.56 -0.01 0.00 1.43 0.00 0.00 31.44 31.89 1v31 n GLU 25 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1v31 s VAL 26 N -2.52 -0.96 0.51 3.84 0.11 -1.26 -0.52 120.40 119.60 1v31 s VAL 26 Ca -0.23 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.83 1v31 s VAL 26 Cb 0.08 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.92 1v31 s VAL 26 CO 0.71 0.00 0.02 -0.70 -3.33 0.00 0.00 175.10 171.80 1v31 s GLU 27 N 2.87 2.18 0.00 1.54 2.56 -0.23 -4.72 118.70 122.90 1v31 s GLU 27 Ca 0.19 -2.40 0.00 0.00 0.00 0.00 0.00 54.97 52.77 1v31 s GLU 27 Cb -0.15 -1.39 0.00 0.00 2.00 0.00 0.00 34.13 34.59 1v31 s GLU 27 CO -0.20 -0.40 0.00 0.25 -0.56 0.00 0.00 175.26 174.34 1v31 n THR 28 N -1.24 0.00 0.03 -1.70 -2.24 -1.26 0.19 114.28 108.06 1v31 n THR 28 Ca -0.18 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.38 1v31 n THR 28 Cb 0.67 -1.94 -0.14 0.00 -2.10 0.00 0.00 70.33 66.81 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 0.28 0.22 -0.78 2.43 -1.97 -3.32 114.38 111.23 1v31 h ARG 29 Ca 0.00 -0.48 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 1v31 h ARG 29 Cb 0.00 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1v31 h ARG 29 CO 0.00 1.23 -0.10 -1.00 -1.51 0.00 0.00 179.97 178.59 1v31 h PRO 30 N -0.28 -0.28 -0.79 0.20 0.13 -1.98 -2.48 132.00 126.52 1v31 h PRO 30 Ca -0.26 0.02 0.24 0.00 -0.87 0.00 0.00 66.00 65.12 1v31 h PRO 30 Cb 1.76 0.06 -0.15 0.00 0.13 0.00 0.00 31.00 32.81 1v31 h PRO 30 CO 0.10 -0.08 0.08 0.54 -0.23 0.00 0.00 178.00 178.42 1v31 n ARG 31 N -4.96 -0.06 0.19 0.86 1.74 -1.26 0.15 116.66 113.31 1v31 n ARG 31 Ca -0.05 1.16 -0.08 0.00 -0.77 0.00 0.00 57.85 58.12 1v31 n ARG 31 Cb 0.17 -1.89 -0.04 0.00 -1.02 0.00 0.00 32.46 29.68 1v31 n ARG 31 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1v31 h ILE 32 N 0.00 0.00 -0.90 0.55 2.04 -1.66 1.26 117.51 118.81 1v31 h ILE 32 Ca 0.51 -0.28 0.23 0.00 1.00 0.00 0.00 64.86 66.31 1v31 h ILE 32 Cb 1.12 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.04 1v31 h ILE 32 CO -0.72 0.00 0.02 0.40 0.00 0.00 0.00 178.15 177.85 1v31 h ILE 33 N -0.80 0.16 0.04 -0.67 2.04 0.05 0.40 117.51 118.72 1v31 h ILE 33 Ca -0.05 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1v31 h ILE 33 Cb 0.40 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1v31 h ILE 33 CO 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 178.15 178.23 1v31 h ALA 34 N 1.87 -0.06 -1.16 1.87 0.00 0.13 -1.14 119.26 120.77 1v31 h ALA 34 Ca 0.52 -0.24 0.34 0.00 0.00 0.00 0.00 54.91 55.53 1v31 h ALA 34 Cb 1.01 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1v31 h ALA 34 CO -0.82 -0.28 0.95 0.00 0.00 0.00 0.00 179.25 179.10 1v31 h ALA 35 N 0.37 3.06 0.16 0.00 0.00 0.53 1.60 119.26 124.97 1v31 h ALA 35 Ca -0.01 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 1v31 h ALA 35 Cb 0.50 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1v31 h ALA 35 CO 0.01 -1.55 -1.69 0.82 0.00 0.00 0.00 179.25 176.84 1v31 h ILE 36 N 0.00 0.99 -0.99 0.00 2.04 -0.13 -1.53 117.51 117.89 1v31 h ILE 36 Ca 0.55 -2.60 0.07 0.00 1.00 0.00 0.00 64.86 63.88 1v31 h ILE 36 Cb 2.45 2.74 -0.07 0.00 -0.74 0.00 0.00 36.82 41.21 1v31 h ILE 36 CO -0.01 0.84 0.64 -0.50 0.00 0.00 0.00 178.15 179.12 1v31 h TRP 37 N 0.09 1.18 0.01 1.37 4.06 0.34 0.58 115.95 123.58 1v31 h TRP 37 Ca -0.31 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.63 1v31 h TRP 37 Cb 2.07 -0.39 0.00 0.00 -1.00 0.00 0.00 29.16 29.85 1v31 h TRP 37 CO 0.09 0.61 -0.15 1.25 -3.56 0.00 0.00 178.44 176.67 1v31 h HIS 38 N 1.16 0.14 -0.06 0.49 -0.00 -0.71 -3.25 115.15 112.93 1v31 h HIS 38 Ca 0.43 -0.08 0.04 0.00 -0.00 0.00 0.00 60.37 60.76 1v31 h HIS 38 Cb 0.18 -0.01 -0.06 0.00 -0.00 0.00 0.00 27.41 27.51 1v31 h HIS 38 CO -0.00 0.92 -0.34 -0.92 -0.00 0.00 0.00 177.93 177.58 1v31 h TYR 39 N -0.67 -0.94 -0.88 5.26 3.20 -0.74 0.23 116.97 122.42 1v31 h TYR 39 Ca -0.02 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.98 1v31 h TYR 39 Cb 0.97 0.42 -0.12 0.00 1.54 0.00 0.00 36.73 39.54 1v31 h TYR 39 CO 0.21 -0.42 -0.53 0.28 -1.64 0.00 0.00 178.16 176.06 1v31 h VAL 40 N -0.46 0.01 -0.48 1.81 2.07 0.02 1.65 116.25 120.88 1v31 h VAL 40 Ca 0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1v31 h VAL 40 Cb 0.57 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1v31 h VAL 40 CO -0.31 0.00 0.32 0.11 0.02 0.00 0.00 177.57 177.70 1v31 h LYS 41 N -0.08 0.56 0.08 1.57 1.57 -1.44 1.50 116.57 120.32 1v31 h LYS 41 Ca 0.19 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1v31 h LYS 41 Cb 0.49 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1v31 h LYS 41 CO -0.88 0.37 -0.47 0.00 -0.57 0.00 0.00 179.45 177.90 1v31 h ALA 42 N 1.72 -0.94 -0.34 3.86 0.00 0.57 0.58 119.26 124.71 1v31 h ALA 42 Ca 0.19 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 1v31 h ALA 42 Cb 0.04 0.87 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 1v31 h ALA 42 CO -0.05 -1.06 0.24 0.54 0.00 0.00 0.00 179.25 178.93 1v31 n ARG 43 N -5.12 1.46 -4.34 0.00 3.00 -0.30 -4.82 116.66 106.54 1v31 n ARG 43 Ca -0.07 -1.04 -0.34 0.00 -0.01 0.00 0.00 57.85 56.39 1v31 n ARG 43 Cb 0.36 -1.41 -0.09 0.00 0.00 0.00 0.00 32.46 31.32 1v31 n ARG 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1v31 n LYS 44 N 0.14 -0.86 0.07 5.56 4.76 0.19 -4.79 118.16 123.23 1v31 n LYS 44 Ca 0.20 0.11 -0.16 0.00 -2.87 0.00 0.00 58.31 55.59 1v31 n LYS 44 Cb 0.81 -3.89 -0.14 0.00 -1.84 0.00 0.00 35.03 29.97 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 -1.40 0.36 -8.89 -0.35 3.38 0.19 -3.47 115.31 105.13 1v31 h LEU 45 Ca -0.62 -0.48 -0.64 0.00 0.09 0.00 0.00 57.88 56.23 1v31 h LEU 45 Cb 1.36 -0.12 0.13 0.00 0.09 0.00 0.00 40.66 42.12 1v31 h LEU 45 CO 0.76 1.39 -0.71 1.67 0.09 0.00 0.00 178.44 181.64 1v31 n GLN 46 N -3.44 0.00 -3.65 1.13 7.27 -1.21 0.19 117.38 117.66 1v31 n GLN 46 Ca -0.14 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.56 1v31 n GLN 46 Cb 1.04 -0.99 -0.07 0.00 2.41 0.00 0.00 30.24 32.63 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 6.43 -0.05 1.69 3.84 -1.08 -4.48 114.94 120.30 1v31 s ASN 47 Ca 0.61 0.51 -0.25 0.00 0.21 0.00 0.00 52.86 53.94 1v31 s ASN 47 Cb -0.79 -2.15 -0.23 0.00 -0.55 0.00 0.00 41.25 37.54 1v31 s ASN 47 CO 0.58 0.22 1.05 1.55 -2.79 0.00 0.00 177.10 177.71 1v31 h PRO 48 N 6.00 0.13 -0.58 0.43 0.13 -1.91 -3.28 132.00 132.92 1v31 h PRO 48 Ca -0.46 -0.13 0.12 0.00 -0.87 0.00 0.00 66.00 64.66 1v31 h PRO 48 Cb 1.18 0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 1v31 h PRO 48 CO 0.70 0.85 -0.02 -0.91 -0.23 0.00 0.00 178.00 178.39 1v31 h ASN 49 N -0.54 -0.29 -3.14 1.44 4.21 -1.96 -3.37 115.58 111.92 1v31 h ASN 49 Ca -0.02 0.15 -0.59 0.00 1.21 0.00 0.00 56.30 57.05 1v31 h ASN 49 Cb 0.90 0.27 -0.36 0.00 -1.12 0.00 0.00 38.32 38.01 1v31 h ASN 49 CO 0.03 -0.11 -0.83 -1.81 -1.29 0.00 0.00 177.43 173.42 1v31 s ASP 50 N -5.24 2.59 0.31 5.81 1.11 -1.24 -4.99 116.67 115.02 1v31 s ASP 50 Ca -0.14 -0.45 0.26 0.00 0.18 0.00 0.00 52.55 52.40 1v31 s ASP 50 Cb 0.18 -1.12 0.89 0.00 1.07 0.00 0.00 42.92 43.94 1v31 s ASP 50 CO 0.73 -0.06 1.76 1.55 1.18 0.00 0.00 175.17 180.33 1v31 h PRO 51 N 8.03 0.00 0.17 8.23 0.13 -1.73 -3.04 132.00 143.78 1v31 h PRO 51 Ca -0.37 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.45 1v31 h PRO 51 Cb 1.14 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.28 1v31 h PRO 51 CO 0.51 0.00 -1.47 0.77 -0.23 0.00 0.00 178.00 177.58 1v31 h SER 52 N 0.00 0.56 -2.47 1.44 0.02 -1.94 -3.47 113.55 107.70 1v31 h SER 52 Ca 0.00 -0.67 -0.45 0.00 -0.84 0.00 0.00 61.79 59.83 1v31 h SER 52 Cb 0.61 -0.18 0.06 0.00 0.14 0.00 0.00 62.40 63.03 1v31 h SER 52 CO 0.00 1.54 0.03 -0.36 -1.14 0.00 0.00 176.83 176.91 1v31 s PHE 53 N -2.62 2.41 0.00 3.45 0.08 -1.15 0.18 117.98 120.33 1v31 s PHE 53 Ca -0.08 -0.07 -0.28 0.00 0.12 0.00 0.00 56.93 56.61 1v31 s PHE 53 Cb 0.06 -2.87 0.06 0.00 -0.57 0.00 0.00 43.02 39.71 1v31 s PHE 53 CO 0.89 -1.21 0.62 -0.59 -0.10 0.00 0.00 175.22 174.83 1v31 s PHE 54 N -2.93 -0.58 0.58 0.36 -0.12 -0.27 -2.63 117.98 112.38 1v31 s PHE 54 Ca 0.61 0.85 -0.18 0.00 -0.05 0.00 0.00 56.93 58.16 1v31 s PHE 54 Cb -0.09 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 1v31 s PHE 54 CO 0.41 -0.64 1.14 -0.80 -0.05 0.00 0.00 175.22 175.27 1v31 s ASN 55 N -1.58 5.48 0.62 1.98 0.01 0.50 -2.39 114.94 119.56 1v31 s ASN 55 Ca -0.08 2.18 -0.01 0.00 -0.71 0.00 0.00 52.86 54.24 1v31 s ASN 55 Cb -0.01 -2.58 0.09 0.00 0.41 0.00 0.00 41.25 39.17 1v31 s ASN 55 CO 0.04 -1.38 0.63 0.00 -1.51 0.00 0.00 177.10 174.88 1v31 n ASP 57 N -2.96 -0.14 0.00 0.00 8.00 -1.26 -4.96 116.55 115.22 1v31 n ASP 57 Ca 0.10 -1.25 0.14 0.00 0.71 0.00 0.00 54.79 54.49 1v31 n ASP 57 Cb 0.37 0.28 0.62 0.00 -0.02 0.00 0.00 41.12 42.37 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 -2.71 2.32 -0.05 2.24 0.00 -1.26 -1.74 120.51 119.32 1v31 n ALA 58 Ca -0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 1v31 n ALA 58 Cb 0.08 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.00 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 -1.50 1.76 0.17 0.00 0.00 -1.26 -4.28 120.51 115.40 1v31 n ALA 59 Ca 0.07 -0.55 0.03 0.00 0.00 0.00 0.00 53.44 52.99 1v31 n ALA 59 Cb 0.34 0.15 0.31 0.00 0.00 0.00 0.00 19.45 20.25 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 -1.93 -3.16 115.31 114.05 1v31 h LEU 60 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1v31 h LEU 60 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1v31 h LEU 60 CO -0.02 0.45 -0.22 1.56 0.09 0.00 0.00 178.44 180.30 1v31 h GLN 61 N 0.00 -0.59 -1.98 1.13 1.08 -1.57 0.27 115.11 113.45 1v31 h GLN 61 Ca -0.00 0.04 0.58 0.00 -1.45 0.00 0.00 58.65 57.81 1v31 h GLN 61 Cb 0.86 0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 28.34 1v31 h GLN 61 CO 0.06 -0.39 1.42 1.63 -0.95 0.00 0.00 178.83 180.60 1v31 n LYS 62 N -4.41 -0.00 -0.01 1.46 5.02 -1.23 0.15 118.16 119.14 1v31 n LYS 62 Ca -0.08 1.09 -0.00 0.00 -2.02 0.00 0.00 58.31 57.31 1v31 n LYS 62 Cb 0.24 -2.52 -0.00 0.00 -0.02 0.00 0.00 35.03 32.73 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 -1.48 -3.44 116.25 113.22 1v31 h VAL 63 Ca 0.95 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 68.24 1v31 h VAL 63 Cb 3.79 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 1v31 h VAL 63 CO -0.02 0.00 -0.07 -0.26 0.02 0.00 0.00 177.57 177.24 1v31 h PHE 64 N -0.24 0.00 0.00 1.57 0.04 0.14 -3.49 116.94 114.96 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 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1v31 h PHE 64 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1v31 n GLY 65 N 1.84 0.96 3.56 -1.45 0.00 0.40 -5.00 105.19 105.50 1v31 n GLY 65 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.75 3.34 0.33 1.61 8.01 -1.26 -4.99 118.70 124.99 1v31 s GLU 66 Ca 0.00 -0.50 0.09 0.00 0.01 0.00 0.00 54.97 54.57 1v31 s GLU 66 Cb 0.00 -2.82 0.97 0.00 -4.31 0.00 0.00 34.13 27.97 1v31 s GLU 66 CO 0.00 0.43 1.58 1.05 0.01 0.00 0.00 175.26 178.32 1v31 h GLU 67 N 6.07 0.01 -3.94 1.61 4.11 -1.98 -3.42 114.58 117.04 1v31 h GLU 67 Ca -0.39 -0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.94 1v31 h GLU 67 Cb 1.19 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 1v31 h GLU 67 CO 0.59 0.01 -0.45 -1.59 0.07 0.00 0.00 179.01 177.64 1v31 s LYS 68 N -5.83 0.83 0.15 1.06 -2.85 -1.26 0.23 119.74 112.07 1v31 s LYS 68 Ca -0.11 -1.06 -0.06 0.00 -1.00 0.00 0.00 55.97 53.73 1v31 s LYS 68 Cb 0.31 0.31 -0.02 0.00 -2.06 0.00 0.00 37.83 36.37 1v31 s LYS 68 CO 0.78 -0.25 0.20 -1.17 0.10 0.00 0.00 175.35 175.01 1v31 s LEU 69 N -2.89 1.27 0.49 2.77 0.20 -1.00 -4.94 118.68 114.58 1v31 s LEU 69 Ca 0.08 -1.00 -0.10 0.00 0.69 0.00 0.00 54.13 53.80 1v31 s LEU 69 Cb 0.06 0.85 -0.05 0.00 -0.43 0.00 0.00 46.19 46.61 1v31 s LEU 69 CO -0.09 -0.83 0.87 -0.54 -0.29 0.00 0.00 176.35 175.47 1v31 s LYS 70 N -4.00 3.70 0.22 1.98 1.02 -1.26 -1.11 119.74 120.29 1v31 s LYS 70 Ca 0.20 0.53 0.25 0.00 0.02 0.00 0.00 55.97 56.98 1v31 s LYS 70 Cb 0.05 -2.28 0.86 0.00 -0.52 0.00 0.00 37.83 35.95 1v31 s LYS 70 CO 0.01 -0.24 1.76 1.19 -0.92 0.00 0.00 175.35 177.15 1v31 n PHE 71 N -1.94 0.90 -0.12 3.18 3.72 0.47 -2.94 117.46 120.75 1v31 n PHE 71 Ca 0.03 0.29 -0.14 0.00 -0.05 0.00 0.00 57.45 57.58 1v31 n PHE 71 Cb 0.54 -0.97 -0.13 0.00 -0.94 0.00 0.00 39.48 37.99 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 -2.26 1.41 0.25 4.37 -2.24 -1.26 -4.32 114.28 110.23 1v31 n THR 72 Ca 0.05 -0.66 0.09 0.00 -2.27 0.00 0.00 64.05 61.25 1v31 n THR 72 Cb 0.37 -1.04 0.64 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.00 0.00 -1.50 -0.78 2.86 -1.94 -2.07 114.93 111.50 1v31 h MET 73 Ca -0.55 0.00 0.44 0.00 -2.06 0.00 0.00 59.70 57.52 1v31 h MET 73 Cb 2.01 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 33.60 1v31 h MET 73 CO -0.04 0.09 1.07 0.28 1.06 0.00 0.00 176.91 179.37 1v31 h VAL 74 N 0.00 0.24 -0.16 -2.22 2.07 -1.72 1.24 116.25 115.69 1v31 h VAL 74 Ca -0.00 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1v31 h VAL 74 Cb 0.17 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1v31 h VAL 74 CO 0.01 0.00 -0.06 0.77 0.02 0.00 0.00 177.57 178.32 1v31 h SER 75 N 0.02 0.33 -0.51 0.57 4.64 -1.66 0.33 113.55 117.27 1v31 h SER 75 Ca 0.73 -0.39 -0.26 0.00 -0.47 0.00 0.00 61.79 61.40 1v31 h SER 75 Cb 2.86 -0.09 -0.15 0.00 -0.31 0.00 0.00 62.40 64.70 1v31 h SER 75 CO -0.04 0.65 0.33 0.00 -0.87 0.00 0.00 176.83 176.89 1v31 n GLN 76 N -4.65 1.68 0.03 4.77 10.64 0.42 -3.04 117.38 127.23 1v31 n GLN 76 Ca -0.05 -1.54 0.00 0.00 -1.83 0.00 0.00 57.00 53.57 1v31 n GLN 76 Cb 0.28 -1.61 0.00 0.00 -0.86 0.00 0.00 30.24 28.05 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 -0.32 0.00 0.15 2.61 4.76 -0.45 -4.82 118.16 120.09 1v31 n LYS 77 Ca 0.30 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.75 1v31 n LYS 77 Cb 1.09 -0.10 0.33 0.00 -1.84 0.00 0.00 35.03 34.51 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 1.26 -1.23 -0.18 -0.00 -0.49 -2.51 117.51 114.37 1v31 h ILE 78 Ca 0.00 -1.25 0.35 0.00 -0.00 0.00 0.00 64.86 63.96 1v31 h ILE 78 Cb 0.15 1.60 -0.06 0.00 -0.00 0.00 0.00 36.82 38.51 1v31 h ILE 78 CO 0.00 0.37 0.86 0.77 -0.00 0.00 0.00 178.15 180.15 1v31 h SER 79 N 0.10 0.10 -0.64 2.16 4.64 -1.70 1.28 113.55 119.48 1v31 h SER 79 Ca 0.01 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 1v31 h SER 79 Cb 0.65 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 1v31 h SER 79 CO 0.05 0.00 0.09 0.45 -0.87 0.00 0.00 176.83 176.55 1v31 h HIS 80 N 0.08 1.14 -0.03 4.77 3.86 -1.76 -2.71 115.15 120.50 1v31 h HIS 80 Ca 0.61 -0.17 -0.20 0.00 -1.16 0.00 0.00 60.37 59.46 1v31 h HIS 80 Cb 2.26 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 30.41 1v31 h HIS 80 CO -0.00 0.97 -0.83 0.45 0.86 0.00 0.00 177.93 179.39 1v31 h HIS 81 N 0.98 0.47 -1.96 2.45 3.86 0.13 -3.44 115.15 117.64 1v31 h HIS 81 Ca 0.19 -0.24 -0.63 0.00 -1.16 0.00 0.00 60.37 58.53 1v31 h HIS 81 Cb 0.46 -0.06 0.02 0.00 1.06 0.00 0.00 27.41 28.89 1v31 h HIS 81 CO 0.03 1.02 1.02 1.28 0.86 0.00 0.00 177.93 182.15 1v31 n LEU 82 N -3.76 3.20 -4.41 2.43 4.77 0.63 -4.48 117.00 115.37 1v31 n LEU 82 Ca -0.05 1.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.73 1v31 n LEU 82 Cb 0.77 -1.33 -0.10 0.00 -2.33 0.00 0.00 43.42 40.42 1v31 n LEU 82 CO 0.49 -0.16 -0.37 -0.44 -1.33 0.00 0.00 177.39 175.57 1v31 s SER 83 N 3.59 2.70 -0.17 -1.43 0.01 -0.95 -4.92 113.70 112.54 1v31 s SER 83 Ca 0.92 -1.17 -0.29 0.00 1.31 0.00 0.00 55.95 56.72 1v31 s SER 83 Cb -0.76 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.30 1v31 s SER 83 CO 0.52 -0.32 1.28 -2.16 0.41 0.00 0.00 173.24 172.97 1v31 s PRO 84 N -3.72 4.21 0.95 12.44 0.04 -1.26 0.61 135.00 148.28 1v31 s PRO 84 Ca 0.28 1.66 -0.14 0.00 0.04 0.00 0.00 61.00 62.85 1v31 s PRO 84 Cb 0.03 -3.78 0.16 0.00 0.04 0.00 0.00 34.50 30.96 1v31 s PRO 84 CO 0.11 -0.73 1.16 -1.25 0.04 0.00 0.00 177.00 176.33 1v31 s PRO 85 N 3.56 0.79 -0.33 0.56 0.04 -1.26 -4.73 135.00 133.63 1v31 s PRO 85 Ca 0.56 0.15 -0.29 0.00 0.04 0.00 0.00 61.00 61.46 1v31 s PRO 85 Cb -0.22 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1v31 s PRO 85 CO 0.16 -2.41 1.37 -1.25 0.04 0.00 0.00 177.00 174.90 1v31 s PRO 86 N -5.38 3.80 -0.17 0.56 0.04 -1.26 -4.97 135.00 127.61 1v31 s PRO 86 Ca 0.66 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 1v31 s PRO 86 Cb -0.13 -3.94 -0.01 0.00 0.04 0.00 0.00 34.50 30.46 1v31 s PRO 86 CO 0.54 -1.27 1.28 -1.25 0.04 0.00 0.00 177.00 176.33 1v31 s PRO 87 N 4.45 4.21 -1.17 0.56 0.04 -1.26 -4.93 135.00 136.89 1v31 s PRO 87 Ca 0.59 1.65 -0.21 0.00 0.04 0.00 0.00 61.00 63.08 1v31 s PRO 87 Cb -0.17 -3.78 0.02 0.00 0.04 0.00 0.00 34.50 30.61 1v31 s PRO 87 CO 0.27 -0.74 1.74 0.45 0.04 0.00 0.00 177.00 178.75 1v31 s SER 88 N 2.08 6.20 0.25 6.66 0.15 -1.26 -4.84 113.70 122.95 1v31 s SER 88 Ca 0.55 -1.89 -0.20 0.00 0.70 0.00 0.00 55.95 55.11 1v31 s SER 88 Cb -0.22 -2.58 0.07 0.00 -1.71 0.00 0.00 66.02 61.58 1v31 s SER 88 CO 0.16 -1.82 0.93 -0.83 1.20 0.00 0.00 173.24 172.88 1v31 s GLY 89 N 5.26 0.14 -1.08 9.45 0.00 -1.26 -5.08 107.32 114.76 1v31 s GLY 89 Ca 0.57 -0.41 -0.22 0.00 0.00 0.00 0.00 44.72 44.65 1v31 s GLY 89 CO 0.04 1.10 1.75 2.56 0.00 0.00 0.00 173.10 178.55 1v31 s PRO 90 N -2.44 3.15 -0.04 2.90 0.04 -1.26 -4.88 135.00 132.47 1v31 s PRO 90 Ca 0.18 -1.07 -0.16 0.00 0.04 0.00 0.00 61.00 59.99 1v31 s PRO 90 Cb -0.03 -5.29 0.03 0.00 0.04 0.00 0.00 34.50 29.25 1v31 s PRO 90 CO 0.07 -2.91 0.36 0.45 0.04 0.00 0.00 177.00 175.01 1v31 s SER 91 N 6.01 -0.28 0.01 6.66 0.15 -1.26 -5.07 113.70 119.92 1v31 s SER 91 Ca 0.59 0.28 -0.00 0.00 0.70 0.00 0.00 55.95 57.51 1v31 s SER 91 Cb -0.01 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1v31 s SER 91 CO 0.01 -0.41 0.01 -1.20 1.20 0.00 0.00 173.24 172.85 1v31 n SER 92 N 1.52 -7.76 0.00 5.45 7.64 -1.26 -5.12 113.62 114.09 1v31 n SER 92 Ca -0.20 1.47 0.00 0.00 1.01 0.00 0.00 58.87 61.15 1v31 n SER 92 Cb 0.56 -4.35 0.00 0.00 -1.01 0.00 0.00 64.21 59.41 1v31 n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64