#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 -7.65 -3.79 1.61 7.64 -1.26 -4.95 113.62 105.23 1v31 n SER 2 Ca 0.00 1.46 -0.22 0.00 1.01 0.00 0.00 58.87 61.13 1v31 n SER 2 Cb 0.00 -4.83 -0.17 0.00 -1.01 0.00 0.00 64.21 58.20 1v31 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1v31 s SER 3 N -6.99 1.37 0.00 6.43 1.04 -1.26 -4.95 113.70 109.35 1v31 s SER 3 Ca 0.00 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1v31 s SER 3 Cb 0.00 -0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.71 1v31 s SER 3 CO 0.00 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1v31 n GLY 4 N 4.89 -0.38 3.61 7.32 0.00 -1.26 -4.97 105.19 114.40 1v31 n GLY 4 Ca -0.11 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1v31 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v31 s SER 5 N -0.59 6.13 0.31 1.61 0.01 -1.26 -4.56 113.70 115.35 1v31 s SER 5 Ca 0.00 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.47 1v31 s SER 5 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1v31 s SER 5 CO 0.00 -1.54 0.00 -1.20 0.41 0.00 0.00 173.24 170.91 1v31 n SER 6 N 9.47 -8.17 0.00 2.44 7.64 -1.26 -5.08 113.62 118.66 1v31 n SER 6 Ca 0.20 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.20 1v31 n SER 6 Cb 0.47 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 59.65 1v31 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v31 n GLY 7 N 0.38 2.86 3.45 0.23 0.00 -1.26 -5.08 105.19 105.77 1v31 n GLY 7 Ca 0.00 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 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 0.91 0.95 -1.32 1.61 0.24 -1.26 -4.98 118.33 114.47 1v31 n VAL 8 Ca 0.00 -0.29 -0.23 0.00 -2.04 0.00 0.00 64.34 61.78 1v31 n VAL 8 Cb 0.00 -0.70 0.17 0.00 -1.47 0.00 0.00 33.84 31.84 1v31 n VAL 8 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1v31 n PRO 9 N -1.28 -1.81 -2.83 7.34 -0.04 -1.26 -5.10 135.00 130.02 1v31 n PRO 9 Ca 0.08 -1.46 -0.13 0.00 -0.04 0.00 0.00 63.50 61.95 1v31 n PRO 9 Cb 0.52 -1.15 -0.01 0.00 -0.04 0.00 0.00 33.50 32.81 1v31 n PRO 9 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1v31 n GLU 10 N -3.61 1.27 -4.01 0.54 0.28 -1.26 -5.08 120.64 108.77 1v31 n GLU 10 Ca 0.12 -1.59 -0.23 0.00 -0.16 0.00 0.00 57.16 55.30 1v31 n GLU 10 Cb 0.45 0.29 -0.06 0.00 1.43 0.00 0.00 31.44 33.55 1v31 n GLU 10 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1v31 s LYS 11 N -2.93 2.44 -0.15 3.44 1.02 -1.26 -3.94 119.74 118.36 1v31 s LYS 11 Ca 0.08 -1.52 -0.09 0.00 0.02 0.00 0.00 55.97 54.46 1v31 s LYS 11 Cb -0.01 -2.23 0.05 0.00 -0.52 0.00 0.00 37.83 35.13 1v31 s LYS 11 CO 0.05 0.07 0.37 -0.06 -0.92 0.00 0.00 175.35 174.86 1v31 s PHE 12 N -2.42 -0.52 1.28 3.18 0.08 0.11 -4.49 117.98 115.20 1v31 s PHE 12 Ca 0.39 1.15 -0.16 0.00 0.12 0.00 0.00 56.93 58.43 1v31 s PHE 12 Cb -0.03 0.21 0.33 0.00 -0.57 0.00 0.00 43.02 42.96 1v31 s PHE 12 CO 0.24 -0.30 0.98 0.15 -0.10 0.00 0.00 175.22 176.19 1v31 s LYS 13 N 1.21 -1.82 0.16 0.44 1.02 0.65 -1.76 119.74 119.65 1v31 s LYS 13 Ca -0.08 0.62 0.11 0.00 0.02 0.00 0.00 55.97 56.64 1v31 s LYS 13 Cb -0.08 -1.47 -0.04 0.00 -0.52 0.00 0.00 37.83 35.72 1v31 s LYS 13 CO -0.10 -4.26 -0.24 -0.51 -0.92 0.00 0.00 175.35 169.32 1v31 s LEU 14 N -7.54 2.45 0.88 3.17 1.02 -0.01 -3.58 118.68 115.07 1v31 s LEU 14 Ca 0.69 -0.77 -0.13 0.00 0.02 0.00 0.00 54.13 53.93 1v31 s LEU 14 Cb -0.22 -1.26 0.14 0.00 0.02 0.00 0.00 46.19 44.87 1v31 s LEU 14 CO 0.63 0.15 1.24 -0.44 0.02 0.00 0.00 176.35 177.95 1v31 s SER 15 N -2.40 3.84 0.45 2.29 0.01 -1.26 -4.73 113.70 111.90 1v31 s SER 15 Ca 0.18 0.48 0.11 0.00 1.31 0.00 0.00 55.95 58.03 1v31 s SER 15 Cb -0.09 -0.76 1.02 0.00 0.21 0.00 0.00 66.02 66.40 1v31 s SER 15 CO 0.09 -2.29 2.07 0.74 0.41 0.00 0.00 173.24 174.26 1v31 h THR 16 N -1.30 1.08 0.09 1.44 2.02 -1.99 0.79 112.91 115.03 1v31 h THR 16 Ca -0.45 -0.22 -0.25 0.00 0.77 0.00 0.00 66.41 66.25 1v31 h THR 16 Cb 1.28 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1v31 h THR 16 CO 0.51 0.09 -1.32 0.00 0.37 0.00 0.00 175.52 175.17 1v31 h ALA 17 N 1.83 0.20 0.00 6.16 0.00 -1.96 -3.21 119.26 122.28 1v31 h ALA 17 Ca 0.07 -1.09 -0.00 0.00 0.00 0.00 0.00 54.91 53.89 1v31 h ALA 17 Cb 0.04 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1v31 h ALA 17 CO -0.01 0.78 -0.01 1.25 0.00 0.00 0.00 179.25 181.26 1v31 h LEU 18 N -0.46 0.00 -0.08 0.00 5.85 -1.84 0.36 115.31 119.14 1v31 h LEU 18 Ca -0.30 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.18 1v31 h LEU 18 Cb 1.64 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.67 1v31 h LEU 18 CO 0.01 0.01 -1.04 0.24 -0.34 0.00 0.00 178.44 177.32 1v31 h MET 19 N 0.00 0.42 -0.03 1.25 2.86 0.52 -2.96 114.93 116.99 1v31 h MET 19 Ca -0.00 -0.51 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1v31 h MET 19 Cb 0.21 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1v31 h MET 19 CO 0.00 1.17 0.00 -3.47 1.06 0.00 0.00 176.91 175.67 1v31 n ASP 20 N -3.72 1.80 -0.09 1.22 -0.08 -0.59 -1.32 116.55 113.76 1v31 n ASP 20 Ca -0.08 -1.61 -0.19 0.00 -1.51 0.00 0.00 54.79 51.41 1v31 n ASP 20 Cb 0.89 -0.01 -0.12 0.00 2.34 0.00 0.00 41.12 44.22 1v31 n ASP 20 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1v31 h VAL 21 N 2.78 1.17 0.00 5.18 2.07 -0.89 -3.43 116.25 123.13 1v31 h VAL 21 Ca 0.00 -2.19 -0.28 0.00 0.82 0.00 0.00 66.70 65.05 1v31 h VAL 21 Cb 0.59 2.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.85 1v31 h VAL 21 CO 0.00 0.40 -1.87 0.18 0.02 0.00 0.00 177.57 176.30 1v31 n LEU 22 N -4.50 1.41 0.00 2.57 4.77 -1.13 -5.03 117.00 115.09 1v31 n LEU 22 Ca -0.24 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1v31 n LEU 22 Cb 0.60 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1v31 n LEU 22 CO 0.23 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1v31 n GLY 23 N 1.83 1.90 3.52 -0.72 0.00 -0.44 -5.09 105.19 106.20 1v31 n GLY 23 Ca -0.34 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 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 2.90 -0.11 -0.61 -4.36 -1.25 -5.03 121.20 110.74 1v31 s ILE 24 Ca 0.00 -1.87 0.14 0.00 -0.26 0.00 0.00 60.65 58.66 1v31 s ILE 24 Cb 0.00 -2.44 -0.20 0.00 1.25 0.00 0.00 42.46 41.06 1v31 s ILE 24 CO 0.00 -0.17 0.15 1.21 0.24 0.00 0.00 174.94 176.37 1v31 n GLU 25 N -0.05 1.23 -3.19 0.37 4.07 -1.26 -4.45 120.64 117.36 1v31 n GLU 25 Ca -0.10 -0.05 0.04 0.00 -0.06 0.00 0.00 57.16 56.98 1v31 n GLU 25 Cb 0.56 -1.38 -0.01 0.00 -0.06 0.00 0.00 31.44 30.55 1v31 n GLU 25 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1v31 s VAL 26 N -2.60 -0.96 0.22 6.31 0.11 -1.26 -0.83 120.40 121.39 1v31 s VAL 26 Ca -0.07 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.00 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 0.63 0.00 0.04 -0.70 -3.33 0.00 0.00 175.10 171.74 1v31 s GLU 27 N 2.87 1.29 0.12 1.54 2.56 -0.72 -4.84 118.70 121.51 1v31 s GLU 27 Ca 0.17 -1.66 -0.02 0.00 0.00 0.00 0.00 54.97 53.46 1v31 s GLU 27 Cb -0.14 -0.37 0.03 0.00 2.00 0.00 0.00 34.13 35.65 1v31 s GLU 27 CO -0.20 -0.18 0.08 0.25 -0.56 0.00 0.00 175.26 174.64 1v31 n THR 28 N -0.38 0.00 0.04 -1.70 -2.24 -1.26 -0.71 114.28 108.02 1v31 n THR 28 Ca -0.04 -0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.53 1v31 n THR 28 Cb 0.65 -0.36 -0.14 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.02 -0.78 2.43 -1.95 -3.28 114.38 111.10 1v31 h ARG 29 Ca -0.03 -0.48 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1v31 h ARG 29 Cb 0.11 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1v31 h ARG 29 CO 0.02 1.23 -0.01 -1.00 -1.51 0.00 0.00 179.97 178.70 1v31 h PRO 30 N -0.38 -0.02 -0.97 0.20 0.13 -1.93 -2.76 132.00 126.26 1v31 h PRO 30 Ca -0.17 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 65.27 1v31 h PRO 30 Cb 1.65 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.61 1v31 h PRO 30 CO 0.13 0.68 0.24 0.00 -0.23 0.00 0.00 178.00 178.82 1v31 h ARG 31 N -0.77 0.05 0.43 0.86 2.47 -1.94 0.88 114.38 116.36 1v31 h ARG 31 Ca -0.00 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 1v31 h ARG 31 Cb 0.72 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 1v31 h ARG 31 CO 0.00 0.04 -0.20 0.82 0.56 0.00 0.00 179.97 181.18 1v31 h ILE 32 N 0.06 0.00 -0.93 2.04 2.04 -1.62 0.33 117.51 119.43 1v31 h ILE 32 Ca 0.67 -0.29 0.26 0.00 1.00 0.00 0.00 64.86 66.49 1v31 h ILE 32 Cb 1.53 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.45 1v31 h ILE 32 CO -0.82 0.00 0.10 0.40 0.00 0.00 0.00 178.15 177.83 1v31 h ILE 33 N -0.87 0.14 0.02 -0.67 2.04 -0.70 0.65 117.51 118.13 1v31 h ILE 33 Ca -0.06 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1v31 h ILE 33 Cb 0.44 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1v31 h ILE 33 CO 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 178.15 178.25 1v31 h ALA 34 N 1.90 -0.03 -1.10 1.87 0.00 0.71 0.30 119.26 122.91 1v31 h ALA 34 Ca 0.57 -0.15 0.33 0.00 0.00 0.00 0.00 54.91 55.67 1v31 h ALA 34 Cb 1.18 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.86 1v31 h ALA 34 CO -0.81 -0.37 0.68 0.00 0.00 0.00 0.00 179.25 178.74 1v31 h ALA 35 N 0.65 2.24 0.08 0.00 0.00 0.43 1.61 119.26 124.27 1v31 h ALA 35 Ca -0.00 0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.78 1v31 h ALA 35 Cb 0.30 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1v31 h ALA 35 CO 0.01 -0.79 -1.12 0.82 0.00 0.00 0.00 179.25 178.17 1v31 h ILE 36 N 0.30 1.47 -0.69 0.00 2.04 -0.46 0.10 117.51 120.28 1v31 h ILE 36 Ca 0.71 -2.84 0.02 0.00 1.00 0.00 0.00 64.86 63.74 1v31 h ILE 36 Cb 1.84 2.74 -0.04 0.00 -0.74 0.00 0.00 36.82 40.63 1v31 h ILE 36 CO -0.46 0.83 0.44 -0.50 0.00 0.00 0.00 178.15 178.47 1v31 h TRP 37 N 0.12 0.84 0.19 1.37 4.06 0.42 -0.72 115.95 122.24 1v31 h TRP 37 Ca -0.11 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.85 1v31 h TRP 37 Cb 1.81 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 29.69 1v31 h TRP 37 CO 0.06 0.51 -0.09 1.25 -3.56 0.00 0.00 178.44 176.61 1v31 h HIS 38 N 0.89 -0.23 -0.97 0.49 -0.00 -0.15 -2.90 115.15 112.29 1v31 h HIS 38 Ca 0.26 -0.01 0.37 0.00 -0.00 0.00 0.00 60.37 61.00 1v31 h HIS 38 Cb -0.06 0.08 -0.14 0.00 -0.00 0.00 0.00 27.41 27.29 1v31 h HIS 38 CO -0.03 -0.14 0.57 0.98 -0.00 0.00 0.00 177.93 179.30 1v31 n TYR 39 N -4.58 0.84 0.22 5.26 9.36 0.34 0.18 117.16 128.79 1v31 n TYR 39 Ca -0.03 0.85 -0.09 0.00 3.32 0.00 0.00 57.90 61.94 1v31 n TYR 39 Cb 0.10 -1.26 -0.04 0.00 -0.63 0.00 0.00 39.34 37.50 1v31 n TYR 39 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1v31 h VAL 40 N 0.00 0.00 -0.89 2.97 2.07 -1.19 0.54 116.25 119.75 1v31 h VAL 40 Ca 0.73 -0.31 0.15 0.00 0.82 0.00 0.00 66.70 68.10 1v31 h VAL 40 Cb 2.10 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 1v31 h VAL 40 CO -0.55 0.00 0.57 0.07 0.02 0.00 0.00 177.57 177.68 1v31 h LYS 41 N -0.91 0.64 -0.43 1.57 2.10 0.15 0.61 116.57 120.30 1v31 h LYS 41 Ca -0.06 -0.04 -0.14 0.00 -2.00 0.00 0.00 60.65 58.41 1v31 h LYS 41 Cb 0.46 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.64 1v31 h LYS 41 CO 0.10 0.42 -0.29 0.00 -2.00 0.00 0.00 179.45 177.68 1v31 h ALA 42 N 1.60 0.62 -0.31 0.07 0.00 0.20 -2.49 119.26 118.95 1v31 h ALA 42 Ca 0.45 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1v31 h ALA 42 Cb 0.77 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1v31 h ALA 42 CO -0.21 0.66 0.06 0.54 0.00 0.00 0.00 179.25 180.30 1v31 n ARG 43 N -4.10 2.66 -4.15 0.00 5.12 0.19 -4.86 116.66 111.53 1v31 n ARG 43 Ca -0.01 -1.50 -0.35 0.00 -1.93 0.00 0.00 57.85 54.06 1v31 n ARG 43 Cb 0.50 -1.82 -0.06 0.00 -1.16 0.00 0.00 32.46 29.92 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 0.20 -1.57 0.07 5.56 4.01 0.60 -4.75 118.16 122.27 1v31 n LYS 44 Ca 0.16 0.18 -0.01 0.00 -0.51 0.00 0.00 58.31 58.13 1v31 n LYS 44 Cb 0.77 -4.78 -0.05 0.00 -0.51 0.00 0.00 35.03 30.46 1v31 n LYS 44 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1v31 h LEU 45 N -0.85 0.00 -9.13 -0.35 3.38 -0.19 -3.47 115.31 104.69 1v31 h LEU 45 Ca -0.51 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.87 1v31 h LEU 45 Cb 1.33 0.00 0.18 0.00 0.09 0.00 0.00 40.66 42.26 1v31 h LEU 45 CO 0.74 0.62 -1.03 1.67 0.09 0.00 0.00 178.44 180.53 1v31 n GLN 46 N -3.06 0.11 -3.56 1.13 7.27 -1.24 0.82 117.38 118.85 1v31 n GLN 46 Ca -0.05 0.04 -0.36 0.00 0.07 0.00 0.00 57.00 56.70 1v31 n GLN 46 Cb 0.83 -1.17 -0.07 0.00 2.41 0.00 0.00 30.24 32.24 1v31 n GLN 46 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1v31 s ASN 47 N -1.06 6.44 0.21 1.69 -0.87 -1.12 -4.54 114.94 115.70 1v31 s ASN 47 Ca 0.58 0.52 0.07 0.00 -1.57 0.00 0.00 52.86 52.46 1v31 s ASN 47 Cb -0.45 -2.18 0.13 0.00 -0.02 0.00 0.00 41.25 38.73 1v31 s ASN 47 CO 0.65 0.13 1.48 1.55 -2.57 0.00 0.00 177.10 178.34 1v31 h PRO 48 N 6.48 0.07 0.04 -0.60 0.13 -1.91 -3.35 132.00 132.85 1v31 h PRO 48 Ca -0.42 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1v31 h PRO 48 Cb 1.17 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1v31 h PRO 48 CO 0.74 0.80 -0.02 -0.91 -0.23 0.00 0.00 178.00 178.38 1v31 h ASN 49 N 0.04 -0.04 -3.62 1.44 4.21 -1.97 -3.43 115.58 112.21 1v31 h ASN 49 Ca -0.02 0.00 -0.68 0.00 1.21 0.00 0.00 56.30 56.82 1v31 h ASN 49 Cb 1.35 0.01 -0.18 0.00 -1.12 0.00 0.00 38.32 38.38 1v31 h ASN 49 CO 0.11 0.15 -0.30 -1.81 -1.29 0.00 0.00 177.43 174.29 1v31 s ASP 50 N -3.92 6.17 0.00 5.81 1.01 -1.26 -4.92 116.67 119.57 1v31 s ASP 50 Ca -0.01 -0.43 0.22 0.00 0.71 0.00 0.00 52.55 53.04 1v31 s ASP 50 Cb 0.00 -2.20 0.93 0.00 1.01 0.00 0.00 42.92 42.67 1v31 s ASP 50 CO 0.02 -0.41 1.70 -0.81 0.21 0.00 0.00 175.17 175.88 1v31 n PRO 51 N 5.40 0.01 0.01 8.23 -0.04 -1.26 -2.15 135.00 145.20 1v31 n PRO 51 Ca -0.09 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.60 1v31 n PRO 51 Cb 0.49 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.50 1v31 n PRO 51 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1v31 n SER 52 N -1.49 0.70 -4.84 3.54 7.64 -1.26 -4.88 113.62 113.02 1v31 n SER 52 Ca 0.05 -0.50 -0.29 0.00 1.01 0.00 0.00 58.87 59.15 1v31 n SER 52 Cb 0.25 0.68 -0.04 0.00 -1.01 0.00 0.00 64.21 64.10 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 -3.06 1.76 -0.05 1.43 0.08 -0.91 0.18 117.98 117.41 1v31 s PHE 53 Ca 0.08 -0.88 -0.29 0.00 0.12 0.00 0.00 56.93 55.96 1v31 s PHE 53 Cb 0.16 -1.79 0.11 0.00 -0.57 0.00 0.00 43.02 40.92 1v31 s PHE 53 CO 0.79 -0.16 0.91 -0.59 -0.10 0.00 0.00 175.22 176.07 1v31 s PHE 54 N -2.81 -0.36 0.12 0.36 -0.12 -0.32 -2.78 117.98 112.07 1v31 s PHE 54 Ca 0.23 0.37 -0.30 0.00 -0.05 0.00 0.00 56.93 57.17 1v31 s PHE 54 Cb -0.00 0.51 -0.06 0.00 -0.63 0.00 0.00 43.02 42.83 1v31 s PHE 54 CO 0.14 -0.49 1.15 -0.80 -0.05 0.00 0.00 175.22 175.17 1v31 s ASN 55 N -2.05 7.17 -0.53 1.98 0.01 0.24 -2.28 114.94 119.48 1v31 s ASN 55 Ca 0.02 2.05 -0.17 0.00 -0.71 0.00 0.00 52.86 54.05 1v31 s ASN 55 Cb -0.01 -2.59 0.09 0.00 0.41 0.00 0.00 41.25 39.15 1v31 s ASN 55 CO -0.05 -0.35 0.56 0.00 -1.51 0.00 0.00 177.10 175.74 1v31 n ASP 57 N 5.74 -2.34 0.11 0.00 8.00 -1.26 -4.36 116.55 122.44 1v31 n ASP 57 Ca -0.11 -0.28 0.03 0.00 0.71 0.00 0.00 54.79 55.15 1v31 n ASP 57 Cb 0.43 -0.39 0.41 0.00 -0.02 0.00 0.00 41.12 41.55 1v31 n ASP 57 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1v31 h ALA 58 N -2.35 1.56 0.13 2.24 0.00 -1.99 -1.16 119.26 117.70 1v31 h ALA 58 Ca -0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1v31 h ALA 58 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1v31 h ALA 58 CO 0.07 0.32 -0.06 0.00 0.00 0.00 0.00 179.25 179.58 1v31 h ALA 59 N 1.68 -0.34 -1.41 0.00 0.00 -1.97 -2.89 119.26 114.33 1v31 h ALA 59 Ca 0.06 -0.04 0.41 0.00 0.00 0.00 0.00 54.91 55.34 1v31 h ALA 59 Cb 0.29 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1v31 h ALA 59 CO 0.01 -0.33 1.16 -0.07 0.00 0.00 0.00 179.25 180.02 1v31 h LEU 60 N -0.49 0.00 0.17 0.00 3.38 -1.85 0.79 115.31 117.31 1v31 h LEU 60 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1v31 h LEU 60 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1v31 h LEU 60 CO 0.03 0.00 -0.08 1.56 0.09 0.00 0.00 178.44 180.04 1v31 h GLN 61 N 0.00 -0.22 -1.82 1.13 1.08 -1.20 0.27 115.11 114.35 1v31 h GLN 61 Ca 0.67 0.02 0.53 0.00 -1.45 0.00 0.00 58.65 58.41 1v31 h GLN 61 Cb 2.98 0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 30.39 1v31 h GLN 61 CO -0.01 -0.15 1.35 0.87 -0.95 0.00 0.00 178.83 179.94 1v31 h LYS 62 N -0.30 0.00 0.03 1.46 1.57 -0.64 1.39 116.57 120.08 1v31 h LYS 62 Ca -0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1v31 h LYS 62 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1v31 h LYS 62 CO 0.04 0.00 -0.02 0.28 -0.57 0.00 0.00 179.45 179.18 1v31 h VAL 63 N 0.00 0.00 0.04 0.50 2.07 -1.19 -3.43 116.25 114.25 1v31 h VAL 63 Ca 0.86 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 68.19 1v31 h VAL 63 Cb 3.55 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 1v31 h VAL 63 CO -0.01 0.00 -0.02 -0.26 0.02 0.00 0.00 177.57 177.30 1v31 h PHE 64 N -0.24 -0.05 0.00 1.57 0.04 0.22 -3.49 116.94 114.99 1v31 h PHE 64 Ca -0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1v31 h PHE 64 Cb 0.03 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1v31 h PHE 64 CO 0.02 -0.03 0.00 0.41 -0.60 0.00 0.00 178.31 178.11 1v31 n GLY 65 N 1.47 0.93 3.57 -1.45 0.00 0.45 -5.02 105.19 105.15 1v31 n GLY 65 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.32 2.55 0.25 1.61 2.02 -1.26 -5.01 118.70 118.54 1v31 s GLU 66 Ca 0.00 -0.70 -0.03 0.00 0.02 0.00 0.00 54.97 54.26 1v31 s GLU 66 Cb 0.00 -2.49 0.49 0.00 0.10 0.00 0.00 34.13 32.24 1v31 s GLU 66 CO 0.00 0.61 1.72 1.05 0.02 0.00 0.00 175.26 178.66 1v31 h GLU 67 N 4.75 0.39 -4.45 1.61 4.11 -1.96 -3.42 114.58 115.61 1v31 h GLU 67 Ca -0.48 -0.02 -0.18 0.00 0.07 0.00 0.00 59.36 58.74 1v31 h GLU 67 Cb 1.17 -0.09 -0.16 0.00 0.50 0.00 0.00 28.75 30.17 1v31 h GLU 67 CO 0.53 0.26 -0.69 -1.59 0.07 0.00 0.00 179.01 177.58 1v31 s LYS 68 N -6.01 0.69 0.19 1.06 -2.85 -1.26 -0.07 119.74 111.49 1v31 s LYS 68 Ca -0.12 -1.21 -0.06 0.00 -1.00 0.00 0.00 55.97 53.58 1v31 s LYS 68 Cb 0.21 -0.03 -0.02 0.00 -2.06 0.00 0.00 37.83 35.93 1v31 s LYS 68 CO 0.76 -0.05 0.23 -1.17 0.10 0.00 0.00 175.35 175.23 1v31 s LEU 69 N -2.79 1.04 0.38 2.77 0.20 -0.96 -4.92 118.68 114.39 1v31 s LEU 69 Ca 0.07 -1.10 -0.09 0.00 0.69 0.00 0.00 54.13 53.70 1v31 s LEU 69 Cb 0.04 0.89 -0.06 0.00 -0.43 0.00 0.00 46.19 46.64 1v31 s LEU 69 CO -0.06 -0.90 0.71 -0.54 -0.29 0.00 0.00 176.35 175.27 1v31 s LYS 70 N -4.05 3.72 0.34 1.98 1.02 -1.26 -1.17 119.74 120.32 1v31 s LYS 70 Ca 0.26 0.32 0.27 0.00 0.02 0.00 0.00 55.97 56.84 1v31 s LYS 70 Cb 0.04 -2.46 0.94 0.00 -0.52 0.00 0.00 37.83 35.84 1v31 s LYS 70 CO 0.06 0.02 1.78 0.74 -0.92 0.00 0.00 175.35 177.03 1v31 h PHE 71 N 1.31 0.00 0.02 3.18 0.04 0.16 -3.03 116.94 118.62 1v31 h PHE 71 Ca -0.47 0.00 -0.40 0.00 2.80 0.00 0.00 57.97 59.90 1v31 h PHE 71 Cb 1.19 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.28 1v31 h PHE 71 CO 0.60 0.00 -2.37 0.25 -0.60 0.00 0.00 178.31 176.19 1v31 n THR 72 N -2.58 1.54 -0.04 -1.55 -2.24 -1.26 -4.30 114.28 103.85 1v31 n THR 72 Ca 0.03 -0.50 0.22 0.00 -2.27 0.00 0.00 64.05 61.53 1v31 n THR 72 Cb 0.34 -1.62 0.70 0.00 -2.10 0.00 0.00 70.33 67.65 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 -0.32 0.00 -1.35 -0.78 2.86 -1.92 -0.23 114.93 113.20 1v31 h MET 73 Ca -0.58 0.00 0.42 0.00 -2.06 0.00 0.00 59.70 57.48 1v31 h MET 73 Cb 1.81 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 33.36 1v31 h MET 73 CO -0.16 0.00 0.90 0.28 1.06 0.00 0.00 176.91 178.99 1v31 h VAL 74 N 0.00 0.19 -0.28 -2.22 2.07 -1.72 1.52 116.25 115.81 1v31 h VAL 74 Ca 0.29 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.73 1v31 h VAL 74 Cb 1.20 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1v31 h VAL 74 CO -0.00 0.02 -0.01 0.77 0.02 0.00 0.00 177.57 178.37 1v31 h SER 75 N 0.11 0.49 -0.50 0.57 4.64 -1.31 0.45 113.55 117.99 1v31 h SER 75 Ca 0.78 -0.32 -0.25 0.00 -0.47 0.00 0.00 61.79 61.54 1v31 h SER 75 Cb 2.55 -0.13 -0.15 0.00 -0.31 0.00 0.00 62.40 64.37 1v31 h SER 75 CO -0.31 0.68 0.31 0.00 -0.87 0.00 0.00 176.83 176.65 1v31 n GLN 76 N -4.59 1.81 0.04 4.77 10.64 0.50 -3.01 117.38 127.54 1v31 n GLN 76 Ca -0.03 -1.59 0.00 0.00 -1.83 0.00 0.00 57.00 53.55 1v31 n GLN 76 Cb 0.26 -1.65 0.00 0.00 -0.86 0.00 0.00 30.24 27.99 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 -0.30 0.00 0.10 2.61 4.76 -0.18 -4.83 118.16 120.34 1v31 n LYS 77 Ca 0.30 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.73 1v31 n LYS 77 Cb 1.08 -0.10 0.28 0.00 -1.84 0.00 0.00 35.03 34.45 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 -1.19 -0.18 -0.00 -0.24 -2.54 117.51 114.63 1v31 h ILE 78 Ca 0.00 -1.26 0.34 0.00 -0.00 0.00 0.00 64.86 63.94 1v31 h ILE 78 Cb 0.15 1.51 -0.08 0.00 -0.00 0.00 0.00 36.82 38.41 1v31 h ILE 78 CO 0.00 0.38 0.81 0.77 -0.00 0.00 0.00 178.15 180.11 1v31 h SER 79 N 0.21 0.19 -0.49 2.16 4.64 -1.70 1.52 113.55 120.09 1v31 h SER 79 Ca 0.03 0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 1v31 h SER 79 Cb 0.66 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1v31 h SER 79 CO 0.05 0.01 0.08 0.45 -0.87 0.00 0.00 176.83 176.55 1v31 h HIS 80 N 0.15 0.91 0.02 4.77 3.86 -1.75 -2.45 115.15 120.66 1v31 h HIS 80 Ca 0.63 -0.11 -0.22 0.00 -1.16 0.00 0.00 60.37 59.51 1v31 h HIS 80 Cb 2.10 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 30.29 1v31 h HIS 80 CO -0.00 0.79 -1.04 0.45 0.86 0.00 0.00 177.93 178.99 1v31 h HIS 81 N 0.82 0.06 -1.75 2.45 3.86 0.18 -3.44 115.15 117.33 1v31 h HIS 81 Ca 0.17 -0.05 -0.62 0.00 -1.16 0.00 0.00 60.37 58.72 1v31 h HIS 81 Cb 0.38 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1v31 h HIS 81 CO 0.02 1.04 1.36 1.28 0.86 0.00 0.00 177.93 182.49 1v31 n LEU 82 N -3.37 3.04 -4.58 2.43 4.77 0.12 -4.62 117.00 114.79 1v31 n LEU 82 Ca -0.01 0.50 -0.24 0.00 -0.03 0.00 0.00 56.01 56.23 1v31 n LEU 82 Cb 0.95 -1.42 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 1v31 n LEU 82 CO 0.48 -0.48 -0.39 -0.44 -1.33 0.00 0.00 177.39 175.22 1v31 s SER 83 N 6.72 4.19 -0.09 -1.43 0.01 -1.23 -4.92 113.70 116.94 1v31 s SER 83 Ca 1.01 -0.74 -0.30 0.00 1.31 0.00 0.00 55.95 57.23 1v31 s SER 83 Cb -0.58 -0.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.97 1v31 s SER 83 CO 0.44 0.04 1.24 -2.16 0.41 0.00 0.00 173.24 173.21 1v31 s PRO 84 N -3.42 4.30 0.98 12.44 0.04 -1.26 -0.25 135.00 147.82 1v31 s PRO 84 Ca 0.29 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.88 1v31 s PRO 84 Cb -0.07 -3.65 0.18 0.00 0.04 0.00 0.00 34.50 31.01 1v31 s PRO 84 CO 0.17 -0.56 1.17 -1.25 0.04 0.00 0.00 177.00 176.57 1v31 s PRO 85 N 2.75 0.58 0.40 0.56 0.04 -1.26 -4.77 135.00 133.30 1v31 s PRO 85 Ca 0.56 0.08 -0.24 0.00 0.04 0.00 0.00 61.00 61.44 1v31 s PRO 85 Cb -0.24 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1v31 s PRO 85 CO 0.19 -2.54 1.05 -1.25 0.04 0.00 0.00 177.00 174.50 1v31 s PRO 86 N -5.43 4.15 -0.04 0.56 0.04 -1.26 -5.01 135.00 128.01 1v31 s PRO 86 Ca 0.67 1.52 -0.06 0.00 0.04 0.00 0.00 61.00 63.18 1v31 s PRO 86 Cb -0.12 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.86 1v31 s PRO 86 CO 0.54 -0.16 0.34 -1.00 0.04 0.00 0.00 177.00 176.76 1v31 h PRO 87 N 2.47 -0.21 0.00 0.56 0.13 -2.01 -3.48 132.00 129.47 1v31 h PRO 87 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1v31 h PRO 87 Cb 1.22 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1v31 h PRO 87 CO 0.62 -0.14 0.00 0.43 -0.23 0.00 0.00 178.00 178.68 1v31 n SER 88 N -3.86 -0.73 -4.59 1.44 7.64 -1.26 -5.06 113.62 107.20 1v31 n SER 88 Ca -0.03 0.43 -0.43 0.00 1.01 0.00 0.00 58.87 59.85 1v31 n SER 88 Cb 0.08 0.85 -0.03 0.00 -1.01 0.00 0.00 64.21 64.10 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 0.93 1.01 3.31 0.23 0.00 -1.26 -4.85 105.19 104.56 1v31 n GLY 89 Ca 0.00 0.79 -0.39 0.00 0.00 0.00 0.00 46.02 46.42 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 8.74 2.30 -4.00 1.61 -0.04 -1.26 -4.92 135.00 137.43 1v31 n PRO 90 Ca 0.30 -2.60 -0.23 0.00 -0.04 0.00 0.00 63.50 60.93 1v31 n PRO 90 Cb 0.44 -3.40 -0.03 0.00 -0.04 0.00 0.00 33.50 30.47 1v31 n PRO 90 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1v31 s SER 91 N 4.85 6.14 -0.00 3.54 1.04 -1.26 -5.12 113.70 122.88 1v31 s SER 91 Ca 0.58 0.03 0.06 0.00 0.48 0.00 0.00 55.95 57.09 1v31 s SER 91 Cb 0.07 -1.77 -0.02 0.00 0.10 0.00 0.00 66.02 64.41 1v31 s SER 91 CO 0.07 -0.02 -0.18 -0.55 0.98 0.00 0.00 173.24 173.54 1v31 s SER 92 N -3.70 2.15 0.00 7.02 0.15 -1.26 -5.07 113.70 112.99 1v31 s SER 92 Ca 0.34 -0.37 0.28 0.00 0.70 0.00 0.00 55.95 56.90 1v31 s SER 92 Cb -0.09 -0.22 1.65 0.00 -1.71 0.00 0.00 66.02 65.64 1v31 s SER 92 CO 0.28 0.20 2.00 0.61 1.20 0.00 0.00 173.24 177.52