#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 2.89 0.33 1.61 0.01 -1.26 -5.04 113.70 112.24 1v31 s SER 2 Ca 0.00 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 55.98 1v31 s SER 2 Cb 0.00 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1v31 s SER 2 CO 0.00 -0.44 0.00 -0.24 0.41 0.00 0.00 173.24 172.97 1v31 n SER 3 N -0.70 -2.96 0.00 2.44 2.88 -1.26 -5.15 113.62 108.88 1v31 n SER 3 Ca -0.04 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1v31 n SER 3 Cb 0.65 2.88 0.00 0.00 -0.75 0.00 0.00 64.21 66.99 1v31 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v31 n GLY 4 N -1.40 2.01 3.72 0.46 0.00 -1.26 -5.09 105.19 103.63 1v31 n GLY 4 Ca 0.00 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 6.17 0.05 1.61 0.01 -1.26 -5.09 113.70 115.19 1v31 s SER 5 Ca 0.00 0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.51 1v31 s SER 5 Cb 0.00 -2.08 -0.03 0.00 0.21 0.00 0.00 66.02 64.12 1v31 s SER 5 CO 0.00 0.18 -0.09 -0.55 0.41 0.00 0.00 173.24 173.19 1v31 s SER 6 N 0.38 1.04 0.00 2.44 0.15 -1.26 -5.08 113.70 111.36 1v31 s SER 6 Ca 0.08 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1v31 s SER 6 Cb -0.11 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1v31 s SER 6 CO -0.02 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1v31 n GLY 7 N 1.42 0.38 3.76 9.45 0.00 -1.26 -4.90 105.19 114.04 1v31 n GLY 7 Ca -0.22 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 1v31 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v31 s VAL 8 N 0.00 4.12 0.64 1.61 0.11 -1.26 -5.06 120.40 120.57 1v31 s VAL 8 Ca 0.00 2.00 -0.11 0.00 -2.93 0.00 0.00 61.98 60.95 1v31 s VAL 8 Cb 0.00 -4.23 0.15 0.00 -1.53 0.00 0.00 36.38 30.77 1v31 s VAL 8 CO 0.00 0.40 0.71 -0.81 -3.33 0.00 0.00 175.10 172.07 1v31 n PRO 9 N 1.22 -1.50 -4.76 1.54 -0.04 -1.26 -5.07 135.00 125.14 1v31 n PRO 9 Ca -0.01 -1.11 -0.31 0.00 -0.04 0.00 0.00 63.50 62.03 1v31 n PRO 9 Cb 0.48 -0.88 -0.17 0.00 -0.04 0.00 0.00 33.50 32.90 1v31 n PRO 9 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1v31 s GLU 10 N -4.58 2.77 0.19 0.54 2.12 -1.26 -5.12 118.70 113.35 1v31 s GLU 10 Ca 0.43 -0.77 -0.08 0.00 0.36 0.00 0.00 54.97 54.91 1v31 s GLU 10 Cb -0.03 -2.21 -0.06 0.00 0.26 0.00 0.00 34.13 32.09 1v31 s GLU 10 CO 0.31 0.03 0.47 0.15 -0.54 0.00 0.00 175.26 175.68 1v31 s LYS 11 N 0.72 3.73 -0.06 4.30 1.02 -1.26 -4.32 119.74 123.87 1v31 s LYS 11 Ca -0.10 0.13 0.02 0.00 0.02 0.00 0.00 55.97 56.03 1v31 s LYS 11 Cb -0.16 -2.75 0.02 0.00 -0.52 0.00 0.00 37.83 34.41 1v31 s LYS 11 CO 0.01 0.39 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.67 1v31 s PHE 12 N -1.72 1.31 0.70 3.18 0.08 0.17 -4.20 117.98 117.49 1v31 s PHE 12 Ca 0.44 -0.48 -0.16 0.00 0.12 0.00 0.00 56.93 56.84 1v31 s PHE 12 Cb -0.12 -1.00 0.01 0.00 -0.57 0.00 0.00 43.02 41.34 1v31 s PHE 12 CO 0.22 -0.28 1.11 1.63 -0.10 0.00 0.00 175.22 177.80 1v31 n LYS 13 N 3.96 0.69 -3.86 0.44 5.02 0.15 -3.13 118.16 121.44 1v31 n LYS 13 Ca -0.22 0.29 -0.30 0.00 -2.02 0.00 0.00 58.31 56.06 1v31 n LYS 13 Cb 0.51 -2.35 -0.04 0.00 -0.02 0.00 0.00 35.03 33.13 1v31 n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1v31 s LEU 14 N -3.79 4.33 0.79 -0.35 1.02 -0.79 -3.15 118.68 116.74 1v31 s LEU 14 Ca 0.77 0.33 -0.12 0.00 0.02 0.00 0.00 54.13 55.13 1v31 s LEU 14 Cb -0.36 -3.04 0.07 0.00 0.02 0.00 0.00 46.19 42.88 1v31 s LEU 14 CO 0.47 0.13 1.16 -0.44 0.02 0.00 0.00 176.35 177.68 1v31 s SER 15 N -2.59 4.70 0.26 2.29 0.01 -1.26 -4.77 113.70 112.33 1v31 s SER 15 Ca 0.36 0.84 -0.05 0.00 1.31 0.00 0.00 55.95 58.41 1v31 s SER 15 Cb -0.13 -1.40 0.29 0.00 0.21 0.00 0.00 66.02 65.00 1v31 s SER 15 CO 0.27 -1.79 1.93 0.74 0.41 0.00 0.00 173.24 174.81 1v31 h THR 16 N -0.96 1.24 0.12 1.44 2.02 -1.99 0.82 112.91 115.60 1v31 h THR 16 Ca -0.46 -0.46 -0.17 0.00 0.77 0.00 0.00 66.41 66.10 1v31 h THR 16 Cb 1.31 -0.20 0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1v31 h THR 16 CO 0.65 0.24 -0.77 0.00 0.37 0.00 0.00 175.52 176.02 1v31 h ALA 17 N 1.39 -0.05 0.00 6.16 0.00 -1.93 -3.02 119.26 121.81 1v31 h ALA 17 Ca 0.37 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1v31 h ALA 17 Cb -0.13 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1v31 h ALA 17 CO -0.08 0.37 -0.00 1.25 0.00 0.00 0.00 179.25 180.79 1v31 h LEU 18 N -0.46 0.00 -0.31 0.00 5.85 -1.78 0.20 115.31 118.82 1v31 h LEU 18 Ca -0.14 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1v31 h LEU 18 Cb 1.56 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 1v31 h LEU 18 CO 0.12 0.00 -0.24 0.24 -0.34 0.00 0.00 178.44 178.22 1v31 h MET 19 N 0.00 0.00 -0.00 1.25 2.86 0.63 -2.90 114.93 116.77 1v31 h MET 19 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1v31 h MET 19 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1v31 h MET 19 CO 0.00 0.24 -0.56 -3.47 1.06 0.00 0.00 176.91 174.18 1v31 n ASP 20 N -3.20 0.62 0.05 1.22 -0.08 0.56 -0.53 116.55 115.18 1v31 n ASP 20 Ca 0.02 -0.41 -0.03 0.00 -1.51 0.00 0.00 54.79 52.86 1v31 n ASP 20 Cb 0.58 0.36 -0.08 0.00 2.34 0.00 0.00 41.12 44.32 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 0.09 0.93 0.00 5.18 2.07 -0.93 -3.43 116.25 120.15 1v31 h VAL 21 Ca 0.00 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1v31 h VAL 21 Cb 0.50 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1v31 h VAL 21 CO 0.00 0.53 0.00 0.18 0.02 0.00 0.00 177.57 178.30 1v31 n LEU 22 N -3.10 0.40 0.00 2.57 4.77 -1.16 -4.98 117.00 115.50 1v31 n LEU 22 Ca -0.07 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1v31 n LEU 22 Cb 0.89 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1v31 n LEU 22 CO 0.44 -0.63 0.00 0.61 -1.33 0.00 0.00 177.39 176.48 1v31 n GLY 23 N 3.09 1.21 0.00 -0.72 0.00 0.31 -5.07 105.19 104.01 1v31 n GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1v31 n GLY 23 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1v31 n ILE 24 N 0.00 0.00 0.00 -0.61 -5.35 -1.25 -5.06 119.36 107.09 1v31 n ILE 24 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1v31 n ILE 24 Cb 0.00 -0.36 0.00 0.00 -1.74 0.00 0.00 39.64 37.54 1v31 n ILE 24 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1v31 n GLU 25 N -0.33 0.00 -3.57 6.28 2.13 -1.26 -4.77 120.64 119.12 1v31 n GLU 25 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.54 1v31 n GLU 25 Cb 0.00 -0.23 -0.16 0.00 0.27 0.00 0.00 31.44 31.32 1v31 n GLU 25 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1v31 s VAL 26 N -1.45 -0.08 0.00 6.31 1.01 -1.26 -1.89 120.40 123.04 1v31 s VAL 26 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1v31 s VAL 26 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1v31 s VAL 26 CO 0.00 -0.53 0.00 1.21 0.00 0.00 0.00 175.10 175.78 1v31 n GLU 27 N 5.26 2.61 -0.37 2.72 4.07 -1.18 -4.93 120.64 128.83 1v31 n GLU 27 Ca -0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 1v31 n GLU 27 Cb 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.83 1v31 n GLU 27 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1v31 n THR 28 N 0.00 0.00 0.03 6.31 -2.24 -1.26 0.44 114.28 117.56 1v31 n THR 28 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 1v31 n THR 28 Cb 0.00 -0.39 -0.14 0.00 -2.10 0.00 0.00 70.33 67.69 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 0.27 0.20 -0.78 2.43 -1.95 -3.28 114.38 111.26 1v31 h ARG 29 Ca 0.00 -0.46 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1v31 h ARG 29 Cb 0.00 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1v31 h ARG 29 CO 0.00 1.22 -0.09 -1.00 -1.51 0.00 0.00 179.97 178.59 1v31 h PRO 30 N -0.40 -0.25 -0.83 0.20 0.13 -1.97 -2.43 132.00 126.44 1v31 h PRO 30 Ca -0.17 0.02 0.22 0.00 -0.87 0.00 0.00 66.00 65.20 1v31 h PRO 30 Cb 1.63 0.06 -0.16 0.00 0.13 0.00 0.00 31.00 32.66 1v31 h PRO 30 CO 0.12 -0.00 -0.01 0.54 -0.23 0.00 0.00 178.00 178.42 1v31 n ARG 31 N -4.94 -0.07 0.20 0.86 1.74 -1.26 0.10 116.66 113.29 1v31 n ARG 31 Ca -0.05 1.25 -0.08 0.00 -0.77 0.00 0.00 57.85 58.19 1v31 n ARG 31 Cb 0.18 -1.97 -0.04 0.00 -1.02 0.00 0.00 32.46 29.61 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 -0.99 0.55 2.04 -1.64 0.58 117.51 118.04 1v31 h ILE 32 Ca 0.49 -0.23 0.31 0.00 1.00 0.00 0.00 64.86 66.43 1v31 h ILE 32 Cb 0.99 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.89 1v31 h ILE 32 CO -0.79 0.00 0.18 0.40 0.00 0.00 0.00 178.15 177.94 1v31 h ILE 33 N -0.77 0.02 -0.00 -0.67 2.04 -0.14 0.89 117.51 118.87 1v31 h ILE 33 Ca -0.06 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1v31 h ILE 33 Cb 0.41 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1v31 h ILE 33 CO 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 178.15 178.24 1v31 h ALA 34 N 1.99 0.00 -1.10 1.87 0.00 0.75 -1.24 119.26 121.52 1v31 h ALA 34 Ca 0.67 -0.25 0.32 0.00 0.00 0.00 0.00 54.91 55.66 1v31 h ALA 34 Cb 1.52 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 1v31 h ALA 34 CO -0.88 -0.25 0.98 0.00 0.00 0.00 0.00 179.25 179.10 1v31 h ALA 35 N 0.51 2.98 0.16 0.00 0.00 0.63 1.63 119.26 125.18 1v31 h ALA 35 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 1v31 h ALA 35 Cb 0.49 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1v31 h ALA 35 CO 0.00 -1.55 -1.83 0.82 0.00 0.00 0.00 179.25 176.69 1v31 h ILE 36 N 0.00 0.83 0.18 0.00 2.04 -0.59 -2.65 117.51 117.32 1v31 h ILE 36 Ca 0.52 -2.47 -0.00 0.00 1.00 0.00 0.00 64.86 63.92 1v31 h ILE 36 Cb 2.47 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 41.21 1v31 h ILE 36 CO -0.01 0.87 -0.12 -0.50 0.00 0.00 0.00 178.15 178.39 1v31 h TRP 37 N 0.09 -0.31 0.52 1.37 4.06 0.33 0.76 115.95 122.76 1v31 h TRP 37 Ca -0.37 -0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.55 1v31 h TRP 37 Cb 2.07 0.12 0.01 0.00 -1.00 0.00 0.00 29.16 30.35 1v31 h TRP 37 CO 0.09 -0.19 -0.25 1.25 -3.56 0.00 0.00 178.44 175.78 1v31 h HIS 38 N -0.30 -0.64 -0.92 0.49 -0.00 -0.12 -2.80 115.15 110.85 1v31 h HIS 38 Ca -0.01 -0.02 0.11 0.00 -0.00 0.00 0.00 60.37 60.46 1v31 h HIS 38 Cb 0.26 0.21 -0.13 0.00 -0.00 0.00 0.00 27.41 27.75 1v31 h HIS 38 CO -0.10 -0.40 -0.45 0.98 -0.00 0.00 0.00 177.93 177.96 1v31 n TYR 39 N -3.89 -0.19 -0.06 5.26 9.36 -1.00 0.13 117.16 126.78 1v31 n TYR 39 Ca -0.09 1.14 -0.02 0.00 3.32 0.00 0.00 57.90 62.25 1v31 n TYR 39 Cb 0.27 -0.71 -0.02 0.00 -0.63 0.00 0.00 39.34 38.26 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 -0.82 2.97 2.07 -0.80 1.46 116.25 121.13 1v31 h VAL 40 Ca 0.23 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.87 1v31 h VAL 40 Cb 0.46 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1v31 h VAL 40 CO -0.89 0.00 0.53 0.11 0.02 0.00 0.00 177.57 177.35 1v31 h LYS 41 N -0.02 0.68 -0.34 1.57 1.57 -0.78 0.47 116.57 119.73 1v31 h LYS 41 Ca 0.02 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1v31 h LYS 41 Cb 0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1v31 h LYS 41 CO -0.15 0.45 0.23 0.00 -0.57 0.00 0.00 179.45 179.40 1v31 h ALA 42 N 1.60 1.78 -0.50 3.86 0.00 0.68 0.54 119.26 127.22 1v31 h ALA 42 Ca 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1v31 h ALA 42 Cb 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1v31 h ALA 42 CO -0.16 0.20 0.00 0.54 0.00 0.00 0.00 179.25 179.83 1v31 n ARG 43 N -4.49 3.75 -4.15 0.00 5.12 0.44 -4.93 116.66 112.41 1v31 n ARG 43 Ca 0.02 -2.86 -0.34 0.00 -1.93 0.00 0.00 57.85 52.74 1v31 n ARG 43 Cb 0.08 -1.91 -0.02 0.00 -1.16 0.00 0.00 32.46 29.45 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 0.52 -3.47 0.05 5.56 5.02 0.53 -4.82 118.16 121.55 1v31 n LYS 44 Ca 0.24 0.40 -0.04 0.00 -2.02 0.00 0.00 58.31 56.89 1v31 n LYS 44 Cb 0.92 -5.05 -0.09 0.00 -0.02 0.00 0.00 35.03 30.79 1v31 n LYS 44 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1v31 h LEU 45 N -1.63 0.00 -8.51 -0.35 3.38 -0.65 -3.47 115.31 104.08 1v31 h LEU 45 Ca -0.60 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.77 1v31 h LEU 45 Cb 1.38 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.26 1v31 h LEU 45 CO 0.74 0.79 -0.74 1.67 0.09 0.00 0.00 178.44 180.99 1v31 n GLN 46 N -3.13 0.00 -4.08 1.13 7.27 -1.26 -0.81 117.38 116.51 1v31 n GLN 46 Ca -0.06 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.66 1v31 n GLN 46 Cb 0.90 -0.95 -0.10 0.00 2.41 0.00 0.00 30.24 32.51 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 -0.95 5.53 -0.07 1.69 2.47 -1.14 -4.63 114.94 117.83 1v31 s ASN 47 Ca 0.58 0.08 -0.21 0.00 0.42 0.00 0.00 52.86 53.73 1v31 s ASN 47 Cb -0.71 -1.91 -0.16 0.00 -1.45 0.00 0.00 41.25 37.02 1v31 s ASN 47 CO 0.57 0.20 0.77 1.55 -3.72 0.00 0.00 177.10 176.47 1v31 h PRO 48 N 6.49 -0.13 -1.53 0.43 0.13 -1.91 -3.05 132.00 132.43 1v31 h PRO 48 Ca -0.38 0.01 0.47 0.00 -0.87 0.00 0.00 66.00 65.23 1v31 h PRO 48 Cb 1.17 0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 1v31 h PRO 48 CO 0.68 0.37 1.04 -0.91 -0.23 0.00 0.00 178.00 178.95 1v31 h ASN 49 N -0.88 0.14 -2.28 1.44 4.21 -1.98 -3.33 115.58 112.89 1v31 h ASN 49 Ca -0.01 0.08 -0.08 0.00 1.21 0.00 0.00 56.30 57.49 1v31 h ASN 49 Cb 0.56 0.07 -0.27 0.00 -1.12 0.00 0.00 38.32 37.56 1v31 h ASN 49 CO 0.02 -0.11 -0.36 -1.81 -1.29 0.00 0.00 177.43 173.88 1v31 s ASP 50 N -4.34 -0.29 0.15 5.81 1.01 -1.21 -5.01 116.67 112.78 1v31 s ASP 50 Ca -0.07 0.89 0.24 0.00 0.71 0.00 0.00 52.55 54.32 1v31 s ASP 50 Cb 0.28 1.43 0.91 0.00 1.01 0.00 0.00 42.92 46.55 1v31 s ASP 50 CO 0.85 -0.24 1.73 -0.81 0.21 0.00 0.00 175.17 176.90 1v31 n PRO 51 N 5.39 0.14 0.09 8.23 -0.04 -1.16 -2.30 135.00 145.36 1v31 n PRO 51 Ca -0.07 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.76 1v31 n PRO 51 Cb 0.50 -1.71 0.41 0.00 -0.04 0.00 0.00 33.50 32.65 1v31 n PRO 51 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v31 n SER 52 N -1.97 0.69 -4.78 3.54 2.88 -1.26 -4.80 113.62 107.93 1v31 n SER 52 Ca 0.04 0.51 -0.30 0.00 -1.33 0.00 0.00 58.87 57.79 1v31 n SER 52 Cb 0.30 -0.64 -0.06 0.00 -0.75 0.00 0.00 64.21 63.06 1v31 n SER 52 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1v31 s PHE 53 N -3.09 1.98 -0.17 0.66 0.08 -0.97 0.19 117.98 116.66 1v31 s PHE 53 Ca 0.11 -0.85 -0.28 0.00 0.12 0.00 0.00 56.93 56.03 1v31 s PHE 53 Cb 0.13 -1.75 0.08 0.00 -0.57 0.00 0.00 43.02 40.92 1v31 s PHE 53 CO 0.60 0.08 0.78 -0.59 -0.10 0.00 0.00 175.22 176.00 1v31 s PHE 54 N -2.80 -0.64 0.58 0.36 -0.12 -0.11 -2.90 117.98 112.35 1v31 s PHE 54 Ca 0.20 1.33 -0.15 0.00 -0.05 0.00 0.00 56.93 58.26 1v31 s PHE 54 Cb 0.02 0.36 -0.05 0.00 -0.63 0.00 0.00 43.02 42.72 1v31 s PHE 54 CO 0.11 -0.45 1.03 -0.80 -0.05 0.00 0.00 175.22 175.06 1v31 s ASN 55 N -0.48 6.13 0.42 1.98 0.01 0.01 -1.93 114.94 121.08 1v31 s ASN 55 Ca -0.04 1.64 -0.03 0.00 -0.71 0.00 0.00 52.86 53.71 1v31 s ASN 55 Cb -0.02 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 1v31 s ASN 55 CO 0.04 -0.93 0.68 0.00 -1.51 0.00 0.00 177.10 175.38 1v31 n ASP 57 N -1.94 1.69 0.00 0.00 9.92 -1.26 -5.02 116.55 119.93 1v31 n ASP 57 Ca -0.01 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 1v31 n ASP 57 Cb 0.55 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.41 1v31 n ASP 57 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1v31 n ALA 58 N -3.90 0.00 0.34 2.24 0.00 -1.26 -4.94 120.51 113.00 1v31 n ALA 58 Ca -0.44 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.11 1v31 n ALA 58 Cb 0.83 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.21 1v31 n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v31 n ALA 59 N 0.00 3.22 0.20 0.00 0.00 -1.26 -3.92 120.51 118.75 1v31 n ALA 59 Ca 0.00 -0.44 0.09 0.00 0.00 0.00 0.00 53.44 53.09 1v31 n ALA 59 Cb 0.00 -0.89 0.19 0.00 0.00 0.00 0.00 19.45 18.76 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 0.37 0.00 3.38 -1.92 -3.31 115.31 113.84 1v31 h LEU 60 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1v31 h LEU 60 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1v31 h LEU 60 CO 0.00 0.18 -0.18 1.56 0.09 0.00 0.00 178.44 180.09 1v31 h GLN 61 N 0.00 -0.48 -1.92 1.13 4.20 -1.87 -1.39 115.11 114.79 1v31 h GLN 61 Ca -0.00 0.03 0.56 0.00 0.06 0.00 0.00 58.65 59.30 1v31 h GLN 61 Cb 1.06 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.87 1v31 h GLN 61 CO 0.02 -0.32 1.37 1.63 -0.67 0.00 0.00 178.83 180.86 1v31 n LYS 62 N -4.23 -0.00 0.01 1.46 4.76 -1.25 0.17 118.16 119.08 1v31 n LYS 62 Ca -0.06 1.08 -0.01 0.00 -2.87 0.00 0.00 58.31 56.45 1v31 n LYS 62 Cb 0.20 -2.47 -0.00 0.00 -1.84 0.00 0.00 35.03 30.92 1v31 n LYS 62 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1v31 h VAL 63 N 0.00 0.00 0.00 -0.18 2.07 -1.62 -3.43 116.25 113.09 1v31 h VAL 63 Ca 0.93 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 68.33 1v31 h VAL 63 Cb 3.68 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1v31 h VAL 63 CO -0.04 0.00 -0.17 -0.26 0.02 0.00 0.00 177.57 177.12 1v31 h PHE 64 N -0.16 0.00 0.00 1.57 0.04 0.48 -3.50 116.94 115.38 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 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1v31 h PHE 64 CO 0.04 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.16 1v31 n GLY 65 N 1.76 1.36 3.24 -1.45 0.00 0.46 -5.01 105.19 105.54 1v31 n GLY 65 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.20 2.19 0.30 1.61 2.02 -1.26 -5.02 118.70 118.34 1v31 s GLU 66 Ca 0.00 -0.82 0.02 0.00 0.02 0.00 0.00 54.97 54.19 1v31 s GLU 66 Cb 0.00 -1.93 0.75 0.00 0.10 0.00 0.00 34.13 33.05 1v31 s GLU 66 CO 0.00 0.39 1.60 1.05 0.02 0.00 0.00 175.26 178.32 1v31 h GLU 67 N 5.96 0.07 -4.21 1.61 4.11 -1.98 -3.42 114.58 116.72 1v31 h GLU 67 Ca -0.35 -0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.95 1v31 h GLU 67 Cb 1.16 -0.02 -0.16 0.00 0.50 0.00 0.00 28.75 30.24 1v31 h GLU 67 CO 0.47 0.05 -0.68 -1.59 0.07 0.00 0.00 179.01 177.33 1v31 s LYS 68 N -5.96 0.59 0.23 1.06 -2.85 -1.26 0.55 119.74 112.09 1v31 s LYS 68 Ca -0.12 -1.16 -0.03 0.00 -1.00 0.00 0.00 55.97 53.65 1v31 s LYS 68 Cb 0.28 0.20 -0.03 0.00 -2.06 0.00 0.00 37.83 36.22 1v31 s LYS 68 CO 0.77 -0.11 0.24 -1.17 0.10 0.00 0.00 175.35 175.18 1v31 s LEU 69 N -2.78 0.98 0.21 2.77 0.20 -0.81 -4.93 118.68 114.32 1v31 s LEU 69 Ca 0.05 -1.31 -0.17 0.00 0.69 0.00 0.00 54.13 53.39 1v31 s LEU 69 Cb 0.06 0.77 -0.08 0.00 -0.43 0.00 0.00 46.19 46.52 1v31 s LEU 69 CO -0.09 -0.95 0.66 -0.54 -0.29 0.00 0.00 176.35 175.14 1v31 s LYS 70 N -4.03 4.12 0.55 1.98 1.02 -1.26 -0.93 119.74 121.18 1v31 s LYS 70 Ca 0.35 0.70 0.36 0.00 0.02 0.00 0.00 55.97 57.40 1v31 s LYS 70 Cb 0.05 -2.84 1.65 0.00 -0.52 0.00 0.00 37.83 36.17 1v31 s LYS 70 CO 0.13 0.39 2.06 0.74 -0.92 0.00 0.00 175.35 177.76 1v31 h PHE 71 N 3.31 0.00 0.03 3.18 0.04 0.18 -2.88 116.94 120.82 1v31 h PHE 71 Ca -0.48 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 59.98 1v31 h PHE 71 Cb 1.19 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.30 1v31 h PHE 71 CO 0.64 0.00 -1.70 0.25 -0.60 0.00 0.00 178.31 176.90 1v31 n THR 72 N -2.96 1.60 -0.33 -1.55 -2.24 -1.26 -4.18 114.28 103.35 1v31 n THR 72 Ca -0.00 -0.27 0.26 0.00 -2.27 0.00 0.00 64.05 61.76 1v31 n THR 72 Cb 0.21 -1.90 0.57 0.00 -2.10 0.00 0.00 70.33 67.10 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 -0.66 0.28 -0.84 -0.78 2.86 -1.88 -1.49 114.93 112.43 1v31 h MET 73 Ca -0.43 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.27 1v31 h MET 73 Cb 1.58 -0.06 -0.10 0.00 0.06 0.00 0.00 31.60 33.07 1v31 h MET 73 CO -0.15 0.19 -0.49 0.28 1.06 0.00 0.00 176.91 177.79 1v31 n VAL 74 N -4.55 -0.57 -0.32 -2.22 0.31 -1.10 0.10 118.33 109.98 1v31 n VAL 74 Ca 0.26 2.26 0.06 0.00 -0.01 0.00 0.00 64.34 66.91 1v31 n VAL 74 Cb 1.00 -2.81 0.14 0.00 -0.91 0.00 0.00 33.84 31.26 1v31 n VAL 74 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1v31 n SER 75 N -4.89 -0.30 0.14 4.52 3.41 -0.56 0.17 113.62 116.11 1v31 n SER 75 Ca 0.02 1.55 -0.12 0.00 -0.26 0.00 0.00 58.87 60.07 1v31 n SER 75 Cb 0.22 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 63.62 1v31 n SER 75 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1v31 h GLN 76 N 0.00 -0.40 0.01 4.33 4.15 0.27 -2.30 115.11 121.17 1v31 h GLN 76 Ca 0.45 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.89 1v31 h GLN 76 Cb 0.71 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.49 1v31 h GLN 76 CO -0.92 -0.06 -0.03 0.87 -1.93 0.00 0.00 178.83 176.75 1v31 h LYS 77 N -0.91 -0.04 -1.05 1.69 1.79 0.37 -0.23 116.57 118.19 1v31 h LYS 77 Ca -0.04 0.00 0.42 0.00 -2.18 0.00 0.00 60.65 58.85 1v31 h LYS 77 Cb 0.52 0.01 -0.17 0.00 -1.58 0.00 0.00 32.23 31.00 1v31 h LYS 77 CO 0.07 -0.03 0.58 -0.84 -1.08 0.00 0.00 179.45 178.15 1v31 h ILE 78 N -0.05 0.02 -0.67 1.86 -0.00 0.16 1.25 117.51 120.08 1v31 h ILE 78 Ca -0.00 -0.01 0.14 0.00 -0.00 0.00 0.00 64.86 65.00 1v31 h ILE 78 Cb 0.05 -0.00 -0.12 0.00 -0.00 0.00 0.00 36.82 36.74 1v31 h ILE 78 CO -0.02 0.00 -0.07 0.77 -0.00 0.00 0.00 178.15 178.84 1v31 h SER 79 N 0.02 -0.44 -0.84 2.16 4.64 -0.44 1.72 113.55 120.37 1v31 h SER 79 Ca 0.85 0.18 0.13 0.00 -0.47 0.00 0.00 61.79 62.48 1v31 h SER 79 Cb 2.29 0.35 -0.06 0.00 -0.31 0.00 0.00 62.40 64.67 1v31 h SER 79 CO -0.73 -0.18 0.55 0.45 -0.87 0.00 0.00 176.83 176.06 1v31 h HIS 80 N 0.06 0.75 0.18 4.77 3.86 0.19 -0.06 115.15 124.91 1v31 h HIS 80 Ca 0.34 0.02 -0.30 0.00 -1.16 0.00 0.00 60.37 59.28 1v31 h HIS 80 Cb 0.56 -0.24 0.02 0.00 1.06 0.00 0.00 27.41 28.81 1v31 h HIS 80 CO -0.45 0.30 -1.35 0.45 0.86 0.00 0.00 177.93 177.74 1v31 h HIS 81 N 0.65 0.68 -1.87 2.45 3.86 0.66 -3.45 115.15 118.14 1v31 h HIS 81 Ca 0.41 -0.50 -0.66 0.00 -1.16 0.00 0.00 60.37 58.47 1v31 h HIS 81 Cb 0.67 -0.03 0.02 0.00 1.06 0.00 0.00 27.41 29.14 1v31 h HIS 81 CO -0.00 1.39 1.00 1.28 0.86 0.00 0.00 177.93 182.46 1v31 n LEU 82 N -3.60 3.02 -4.36 2.43 4.77 0.52 -4.65 117.00 115.12 1v31 n LEU 82 Ca -0.12 1.02 -0.22 0.00 -0.03 0.00 0.00 56.01 56.66 1v31 n LEU 82 Cb 1.06 -1.29 -0.11 0.00 -2.33 0.00 0.00 43.42 40.75 1v31 n LEU 82 CO 0.56 -0.22 -0.48 -0.44 -1.33 0.00 0.00 177.39 175.48 1v31 s SER 83 N 3.63 2.86 -0.10 -1.43 0.01 -1.19 -4.92 113.70 112.57 1v31 s SER 83 Ca 0.94 -0.90 -0.30 0.00 1.31 0.00 0.00 55.95 57.00 1v31 s SER 83 Cb -0.83 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.19 1v31 s SER 83 CO 0.56 -0.03 1.24 -2.16 0.41 0.00 0.00 173.24 173.26 1v31 s PRO 84 N -2.98 4.29 0.98 12.44 0.04 -1.26 0.31 135.00 148.81 1v31 s PRO 84 Ca 0.19 1.69 -0.14 0.00 0.04 0.00 0.00 61.00 62.77 1v31 s PRO 84 Cb -0.05 -3.66 0.18 0.00 0.04 0.00 0.00 34.50 31.01 1v31 s PRO 84 CO 0.08 -0.58 1.17 -1.25 0.04 0.00 0.00 177.00 176.46 1v31 s PRO 85 N 2.83 0.57 -0.15 0.56 0.04 -1.26 -4.79 135.00 132.80 1v31 s PRO 85 Ca 0.56 0.08 -0.29 0.00 0.04 0.00 0.00 61.00 61.38 1v31 s PRO 85 Cb -0.24 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1v31 s PRO 85 CO 0.19 -2.54 1.27 -1.25 0.04 0.00 0.00 177.00 174.70 1v31 s PRO 86 N -5.43 4.24 0.00 0.56 0.04 -1.26 -5.02 135.00 128.13 1v31 s PRO 86 Ca 0.67 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1v31 s PRO 86 Cb -0.12 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1v31 s PRO 86 CO 0.54 -0.68 0.00 -0.35 0.04 0.00 0.00 177.00 176.55 1v31 n PRO 87 N 6.46 0.46 -3.15 0.56 -0.04 -1.26 -5.10 135.00 132.92 1v31 n PRO 87 Ca 0.14 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.65 1v31 n PRO 87 Cb 0.45 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.90 1v31 n PRO 87 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1v31 s SER 88 N -1.25 -0.65 0.00 3.54 0.01 -1.26 -5.17 113.70 108.93 1v31 s SER 88 Ca 0.00 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1v31 s SER 88 Cb 0.00 1.46 0.00 0.00 0.21 0.00 0.00 66.02 67.69 1v31 s SER 88 CO 0.00 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1v31 n GLY 89 N 5.30 -1.66 0.14 3.44 0.00 -1.26 -5.05 105.19 106.10 1v31 n GLY 89 Ca 0.02 -1.12 -0.04 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 -0.26 -5.14 1.61 0.13 -2.09 -3.49 132.00 122.76 1v31 h PRO 90 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1v31 h PRO 90 Cb 0.00 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.17 1v31 h PRO 90 CO 0.00 -0.17 -1.09 0.45 -0.23 0.00 0.00 178.00 176.96 1v31 n SER 91 N -4.38 -6.93 -4.05 1.44 2.88 -1.26 -5.04 113.62 96.27 1v31 n SER 91 Ca -0.03 1.42 -0.21 0.00 -1.33 0.00 0.00 58.87 58.72 1v31 n SER 91 Cb 0.11 -5.31 -0.15 0.00 -0.75 0.00 0.00 64.21 58.11 1v31 n SER 91 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1v31 s SER 92 N -1.49 1.33 0.00 -3.46 0.01 -1.26 -5.26 113.70 103.57 1v31 s SER 92 Ca -0.04 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1v31 s SER 92 Cb 0.00 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1v31 s SER 92 CO 0.78 0.12 0.00 0.61 0.41 0.00 0.00 173.24 175.16