#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 -2.22 -4.98 1.61 7.64 -1.26 -5.13 113.62 109.28 1v31 n SER 2 Ca 0.00 0.65 -0.20 0.00 1.01 0.00 0.00 58.87 60.32 1v31 n SER 2 Cb 0.00 2.18 -0.01 0.00 -1.01 0.00 0.00 64.21 65.37 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 -3.30 6.12 0.00 6.43 1.04 -1.26 -5.12 113.70 117.62 1v31 s SER 3 Ca 0.00 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1v31 s SER 3 Cb 0.00 -1.53 0.00 0.00 0.10 0.00 0.00 66.02 64.59 1v31 s SER 3 CO 0.00 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1v31 n GLY 4 N -1.57 3.04 3.53 7.32 0.00 -1.26 -5.07 105.19 111.19 1v31 n GLY 4 Ca -0.04 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.46 6.91 -0.10 1.61 0.01 -1.26 -4.72 113.70 115.69 1v31 s SER 5 Ca 0.00 -2.61 -0.04 0.00 1.31 0.00 0.00 55.95 54.61 1v31 s SER 5 Cb 0.00 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 1v31 s SER 5 CO 0.00 -1.02 -0.07 0.28 0.41 0.00 0.00 173.24 172.83 1v31 h SER 6 N 7.52 0.00 0.00 2.44 0.02 -2.03 -3.51 113.55 117.98 1v31 h SER 6 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1v31 h SER 6 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1v31 h SER 6 CO 1.37 0.52 0.00 0.61 -1.14 0.00 0.00 176.83 178.19 1v31 n GLY 7 N 1.73 0.89 3.16 -3.77 0.00 -1.26 -5.11 105.19 100.82 1v31 n GLY 7 Ca -0.03 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.03 1.30 0.82 1.61 0.11 -1.26 -5.14 120.40 114.80 1v31 s VAL 8 Ca 0.00 -0.79 -0.12 0.00 -2.93 0.00 0.00 61.98 58.14 1v31 s VAL 8 Cb 0.00 -1.10 0.08 0.00 -1.53 0.00 0.00 36.38 33.84 1v31 s VAL 8 CO 0.00 0.29 1.11 -2.16 -3.33 0.00 0.00 175.10 171.01 1v31 s PRO 9 N -0.57 1.89 0.25 1.54 0.04 -1.26 -5.09 135.00 131.81 1v31 s PRO 9 Ca 0.06 0.56 0.01 0.00 0.04 0.00 0.00 61.00 61.67 1v31 s PRO 9 Cb -0.07 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1v31 s PRO 9 CO -0.00 -1.73 0.12 -0.85 0.04 0.00 0.00 177.00 174.58 1v31 n GLU 10 N -3.50 1.22 -4.36 4.56 0.00 -1.26 -5.09 120.64 112.21 1v31 n GLU 10 Ca 0.07 -1.67 -0.19 0.00 0.00 0.00 0.00 57.16 55.36 1v31 n GLU 10 Cb 0.57 0.28 -0.10 0.00 0.00 0.00 0.00 31.44 32.19 1v31 n GLU 10 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1v31 s LYS 11 N -2.99 1.38 0.02 3.44 1.02 -1.26 -3.94 119.74 117.41 1v31 s LYS 11 Ca 0.09 -1.62 -0.04 0.00 0.02 0.00 0.00 55.97 54.43 1v31 s LYS 11 Cb -0.01 -1.19 -0.01 0.00 -0.52 0.00 0.00 37.83 36.10 1v31 s LYS 11 CO 0.06 0.19 0.06 -0.06 -0.92 0.00 0.00 175.35 174.68 1v31 s PHE 12 N -2.92 0.18 0.53 3.18 0.40 -1.21 -4.46 117.98 113.67 1v31 s PHE 12 Ca 0.24 -0.41 -0.18 0.00 -0.60 0.00 0.00 56.93 55.98 1v31 s PHE 12 Cb -0.01 -0.14 -0.07 0.00 0.51 0.00 0.00 43.02 43.31 1v31 s PHE 12 CO 0.08 -0.27 1.03 0.15 0.70 0.00 0.00 175.22 176.91 1v31 s LYS 13 N -1.78 3.66 0.22 0.44 1.02 0.16 -3.22 119.74 120.24 1v31 s LYS 13 Ca -0.12 1.24 0.03 0.00 0.02 0.00 0.00 55.97 57.13 1v31 s LYS 13 Cb -0.07 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 1v31 s LYS 13 CO -0.01 -0.54 0.37 -0.51 -0.92 0.00 0.00 175.35 173.74 1v31 s LEU 14 N -3.93 4.27 0.86 3.17 1.02 -0.66 -2.46 118.68 120.96 1v31 s LEU 14 Ca 0.65 0.20 -0.13 0.00 0.02 0.00 0.00 54.13 54.87 1v31 s LEU 14 Cb -0.15 -2.98 0.11 0.00 0.02 0.00 0.00 46.19 43.19 1v31 s LEU 14 CO 0.27 -0.06 1.19 -0.55 0.02 0.00 0.00 176.35 177.23 1v31 s SER 15 N -3.63 4.05 0.19 2.29 0.15 -1.26 -4.79 113.70 110.69 1v31 s SER 15 Ca 0.36 0.74 -0.09 0.00 0.70 0.00 0.00 55.95 57.66 1v31 s SER 15 Cb -0.10 -1.17 0.09 0.00 -1.71 0.00 0.00 66.02 63.12 1v31 s SER 15 CO 0.30 -2.19 1.67 0.74 1.20 0.00 0.00 173.24 174.96 1v31 h THR 16 N -1.25 1.27 0.07 6.45 2.02 -1.98 0.36 112.91 119.84 1v31 h THR 16 Ca -0.47 -1.09 -0.13 0.00 0.77 0.00 0.00 66.41 65.50 1v31 h THR 16 Cb 1.32 0.68 0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1v31 h THR 16 CO 0.61 0.41 -0.54 0.00 0.37 0.00 0.00 175.52 176.36 1v31 h ALA 17 N 1.03 -0.03 -0.89 6.16 0.00 -1.94 -3.02 119.26 120.56 1v31 h ALA 17 Ca 0.19 -0.61 0.06 0.00 0.00 0.00 0.00 54.91 54.56 1v31 h ALA 17 Cb 0.49 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1v31 h ALA 17 CO 0.02 0.25 0.58 1.25 0.00 0.00 0.00 179.25 181.36 1v31 h LEU 18 N -0.48 0.90 -0.61 0.00 5.85 -1.86 0.69 115.31 119.81 1v31 h LEU 18 Ca -0.09 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1v31 h LEU 18 Cb 1.37 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 1v31 h LEU 18 CO 0.10 0.59 0.37 0.24 -0.34 0.00 0.00 178.44 179.40 1v31 h MET 19 N 1.03 0.82 0.00 1.25 2.86 -0.34 -1.26 114.93 119.29 1v31 h MET 19 Ca 0.38 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1v31 h MET 19 Cb 0.17 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1v31 h MET 19 CO -0.14 0.59 0.00 0.22 1.06 0.00 0.00 176.91 178.64 1v31 h ASP 20 N 0.82 0.00 -0.38 1.22 1.82 -1.12 1.50 116.42 120.28 1v31 h ASP 20 Ca 0.22 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.72 1v31 h ASP 20 Cb -0.02 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 39.98 1v31 h ASP 20 CO -0.04 0.00 -0.29 0.58 -1.61 0.00 0.00 179.24 177.88 1v31 h VAL 21 N 0.00 1.27 0.00 2.25 2.07 0.14 -3.40 116.25 118.59 1v31 h VAL 21 Ca 0.00 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1v31 h VAL 21 Cb 0.91 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1v31 h VAL 21 CO 0.00 0.49 -0.29 0.18 0.02 0.00 0.00 177.57 177.97 1v31 n LEU 22 N -4.09 1.32 0.00 2.57 4.77 -0.60 -5.00 117.00 115.97 1v31 n LEU 22 Ca -0.01 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1v31 n LEU 22 Cb 0.49 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1v31 n LEU 22 CO 0.47 -0.61 0.00 0.61 -1.33 0.00 0.00 177.39 176.53 1v31 n GLY 23 N 2.90 1.65 0.00 -0.72 0.00 0.51 -5.07 105.19 104.46 1v31 n GLY 23 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.21 -5.03 119.36 107.16 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 -0.32 0.00 0.00 -1.74 0.00 0.00 39.64 37.58 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 -0.29 0.00 -3.46 6.28 2.13 -1.26 -4.71 120.64 119.32 1v31 n GLU 25 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 1v31 n GLU 25 Cb 0.00 -0.25 -0.12 0.00 0.27 0.00 0.00 31.44 31.34 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 -1.44 -0.39 0.08 6.31 1.01 -1.26 -1.65 120.40 123.07 1v31 s VAL 26 Ca 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1v31 s VAL 26 Cb 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1v31 s VAL 26 CO 0.00 -0.19 -0.13 -1.61 0.00 0.00 0.00 175.10 173.18 1v31 s GLU 27 N 2.38 0.81 0.82 2.72 2.02 -1.20 -4.92 118.70 121.33 1v31 s GLU 27 Ca 0.08 -0.99 -0.12 0.00 0.02 0.00 0.00 54.97 53.96 1v31 s GLU 27 Cb -0.16 -0.72 0.09 0.00 0.10 0.00 0.00 34.13 33.44 1v31 s GLU 27 CO -0.13 0.15 1.16 0.95 0.02 0.00 0.00 175.26 177.41 1v31 s THR 28 N -1.56 2.36 0.23 3.63 -4.23 -1.26 -3.35 115.64 111.45 1v31 s THR 28 Ca -0.01 0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 60.56 1v31 s THR 28 Cb -0.08 -2.43 0.25 0.00 1.34 0.00 0.00 72.50 71.58 1v31 s THR 28 CO 0.02 -0.13 1.64 -0.09 -0.54 0.00 0.00 174.62 175.52 1v31 h ARG 29 N -1.18 0.10 -0.01 3.99 2.43 -1.96 0.78 114.38 118.54 1v31 h ARG 29 Ca -0.45 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 58.54 1v31 h ARG 29 Cb 1.27 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 1v31 h ARG 29 CO 0.46 0.07 -0.78 -1.00 -1.51 0.00 0.00 179.97 177.21 1v31 h PRO 30 N 0.10 0.12 0.43 0.20 0.13 -1.92 -3.21 132.00 127.85 1v31 h PRO 30 Ca 0.38 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 65.38 1v31 h PRO 30 Cb 0.65 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1v31 h PRO 30 CO -0.62 0.84 -0.21 0.00 -0.23 0.00 0.00 178.00 177.77 1v31 h ARG 31 N 0.07 -0.56 -0.31 0.86 2.47 -0.94 -2.46 114.38 113.51 1v31 h ARG 31 Ca -0.02 0.04 0.03 0.00 -1.26 0.00 0.00 59.98 58.76 1v31 h ARG 31 Cb 1.37 0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 29.78 1v31 h ARG 31 CO 0.11 -0.37 -0.18 -0.89 0.56 0.00 0.00 179.97 179.20 1v31 n ILE 32 N -4.05 -0.21 -0.34 2.04 5.41 0.24 0.11 119.36 122.56 1v31 n ILE 32 Ca -0.07 1.60 -0.09 0.00 1.00 0.00 0.00 62.75 65.18 1v31 n ILE 32 Cb 0.23 -2.05 -0.08 0.00 -0.71 0.00 0.00 39.64 37.03 1v31 n ILE 32 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1v31 n ILE 33 N -3.66 -0.54 -0.27 1.39 5.41 -1.21 0.97 119.36 121.45 1v31 n ILE 33 Ca 0.01 2.23 0.04 0.00 1.00 0.00 0.00 62.75 66.02 1v31 n ILE 33 Cb 0.08 -2.78 0.13 0.00 -0.71 0.00 0.00 39.64 36.36 1v31 n ILE 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1v31 h ALA 34 N 0.21 0.65 -1.15 -1.39 0.00 -0.15 1.59 119.26 119.01 1v31 h ALA 34 Ca 0.13 0.28 0.33 0.00 0.00 0.00 0.00 54.91 55.65 1v31 h ALA 34 Cb 0.33 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 18.55 1v31 h ALA 34 CO -0.75 -0.43 0.75 0.00 0.00 0.00 0.00 179.25 178.83 1v31 h ALA 35 N 1.77 2.51 0.07 0.00 0.00 0.47 1.57 119.26 125.65 1v31 h ALA 35 Ca 0.40 0.06 -0.25 0.00 0.00 0.00 0.00 54.91 55.12 1v31 h ALA 35 Cb 0.67 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1v31 h ALA 35 CO -0.76 -0.98 -1.10 0.82 0.00 0.00 0.00 179.25 177.23 1v31 h ILE 36 N 0.25 1.46 0.95 0.00 2.04 0.31 -2.29 117.51 120.23 1v31 h ILE 36 Ca 0.66 -2.80 -0.05 0.00 1.00 0.00 0.00 64.86 63.67 1v31 h ILE 36 Cb 1.94 2.72 0.01 0.00 -0.74 0.00 0.00 36.82 40.75 1v31 h ILE 36 CO -0.29 0.82 -0.46 -0.50 0.00 0.00 0.00 178.15 177.73 1v31 h TRP 37 N 0.13 -1.18 -0.28 1.37 4.06 0.38 0.35 115.95 120.78 1v31 h TRP 37 Ca -0.11 -0.03 0.07 0.00 2.06 0.00 0.00 58.89 60.88 1v31 h TRP 37 Cb 1.79 0.39 -0.07 0.00 -1.00 0.00 0.00 29.16 30.27 1v31 h TRP 37 CO 0.06 -0.74 -0.21 1.25 -3.56 0.00 0.00 178.44 175.24 1v31 h HIS 38 N -1.33 -0.55 0.16 0.49 -0.00 -0.50 0.23 115.15 113.65 1v31 h HIS 38 Ca -0.13 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.28 1v31 h HIS 38 Cb 0.98 0.29 -0.04 0.00 -0.00 0.00 0.00 27.41 28.64 1v31 h HIS 38 CO 0.00 -0.29 -0.46 -0.92 -0.00 0.00 0.00 177.93 176.26 1v31 h TYR 39 N -0.19 -1.33 -0.99 5.26 3.20 -1.30 1.55 116.97 123.16 1v31 h TYR 39 Ca 0.15 0.03 0.22 0.00 3.14 0.00 0.00 58.73 62.27 1v31 h TYR 39 Cb 0.43 0.56 -0.12 0.00 1.54 0.00 0.00 36.73 39.14 1v31 h TYR 39 CO -0.39 -0.54 0.58 0.28 -1.64 0.00 0.00 178.16 176.45 1v31 h VAL 40 N -0.70 0.60 -0.08 1.81 2.07 0.12 1.05 116.25 121.11 1v31 h VAL 40 Ca -0.01 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1v31 h VAL 40 Cb 0.69 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1v31 h VAL 40 CO -0.22 0.11 -0.02 0.50 0.02 0.00 0.00 177.57 177.96 1v31 h LYS 41 N 0.63 0.16 -0.10 1.57 3.64 0.87 1.39 116.57 124.73 1v31 h LYS 41 Ca 0.61 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.94 1v31 h LYS 41 Cb 1.08 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 1v31 h LYS 41 CO -0.44 0.49 -0.03 0.00 -2.27 0.00 0.00 179.45 177.20 1v31 h ALA 42 N 0.67 0.07 0.00 5.00 0.00 0.51 0.14 119.26 125.65 1v31 h ALA 42 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1v31 h ALA 42 Cb 0.43 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1v31 h ALA 42 CO 0.01 -0.49 0.00 0.54 0.00 0.00 0.00 179.25 179.31 1v31 n ARG 43 N -5.15 0.15 -0.94 0.00 3.00 0.33 -4.80 116.66 109.26 1v31 n ARG 43 Ca -0.05 0.18 0.00 0.00 -0.01 0.00 0.00 57.85 57.98 1v31 n ARG 43 Cb 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.04 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 -1.34 -0.58 0.01 5.56 4.76 0.51 -4.81 118.16 122.27 1v31 n LYS 44 Ca 0.06 0.14 0.22 0.00 -2.87 0.00 0.00 58.31 55.86 1v31 n LYS 44 Cb 0.13 -3.68 0.61 0.00 -1.84 0.00 0.00 35.03 30.25 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 0.00 0.00 -9.03 -0.35 3.38 0.16 -3.42 115.31 106.04 1v31 h LEU 45 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1v31 h LEU 45 Cb 0.29 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.14 1v31 h LEU 45 CO 0.00 0.00 -0.39 1.67 0.09 0.00 0.00 178.44 179.81 1v31 n GLN 46 N -3.41 0.10 -3.19 1.13 7.27 -1.08 -0.72 117.38 117.48 1v31 n GLN 46 Ca 0.12 0.03 -0.39 0.00 0.07 0.00 0.00 57.00 56.84 1v31 n GLN 46 Cb 0.94 -1.14 -0.06 0.00 2.41 0.00 0.00 30.24 32.40 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 -0.81 7.15 0.07 1.69 -0.87 -1.16 -4.70 114.94 116.31 1v31 s ASN 47 Ca 0.68 1.37 -0.15 0.00 -1.57 0.00 0.00 52.86 53.20 1v31 s ASN 47 Cb -0.97 -2.40 -0.21 0.00 -0.02 0.00 0.00 41.25 37.66 1v31 s ASN 47 CO 0.56 0.24 1.21 1.55 -2.57 0.00 0.00 177.10 178.10 1v31 h PRO 48 N 4.40 0.69 0.00 -0.60 0.13 -1.92 -3.36 132.00 131.35 1v31 h PRO 48 Ca -0.49 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 63.97 1v31 h PRO 48 Cb 1.21 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1v31 h PRO 48 CO 0.64 1.26 0.00 0.09 -0.23 0.00 0.00 178.00 179.77 1v31 n ASN 49 N -3.95 0.00 -4.60 1.44 4.13 -1.26 -4.68 115.26 106.34 1v31 n ASN 49 Ca -0.10 0.76 -0.38 0.00 1.68 0.00 0.00 54.58 56.54 1v31 n ASN 49 Cb 0.80 -0.47 -0.10 0.00 -1.54 0.00 0.00 39.78 38.46 1v31 n ASN 49 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1v31 s ASP 50 N -2.38 6.10 0.27 6.41 1.11 -1.26 -4.94 116.67 121.98 1v31 s ASP 50 Ca 0.00 0.10 0.25 0.00 0.18 0.00 0.00 52.55 53.08 1v31 s ASP 50 Cb 0.00 -2.15 0.90 0.00 1.07 0.00 0.00 42.92 42.74 1v31 s ASP 50 CO 0.00 -0.08 1.75 1.55 1.18 0.00 0.00 175.17 179.57 1v31 h PRO 51 N 8.23 0.00 0.13 8.23 0.13 -1.83 -3.01 132.00 143.87 1v31 h PRO 51 Ca -0.34 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.49 1v31 h PRO 51 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1v31 h PRO 51 CO 0.59 0.00 -1.46 0.77 -0.23 0.00 0.00 178.00 177.67 1v31 h SER 52 N 0.00 0.43 -3.04 1.44 0.02 -1.92 -3.45 113.55 107.03 1v31 h SER 52 Ca 0.00 -0.55 -0.46 0.00 -0.84 0.00 0.00 61.79 59.95 1v31 h SER 52 Cb 0.58 -0.14 0.13 0.00 0.14 0.00 0.00 62.40 63.10 1v31 h SER 52 CO 0.00 1.45 0.27 -0.36 -1.14 0.00 0.00 176.83 177.05 1v31 s PHE 53 N -2.62 1.45 -0.15 3.45 0.08 -1.14 0.20 117.98 119.25 1v31 s PHE 53 Ca -0.08 -0.02 -0.30 0.00 0.12 0.00 0.00 56.93 56.65 1v31 s PHE 53 Cb 0.07 -3.60 0.12 0.00 -0.57 0.00 0.00 43.02 39.04 1v31 s PHE 53 CO 0.87 -2.27 0.99 -0.59 -0.10 0.00 0.00 175.22 174.11 1v31 s PHE 54 N -3.55 -0.36 0.43 0.36 -0.12 -0.17 -3.00 117.98 111.57 1v31 s PHE 54 Ca 0.71 0.59 -0.12 0.00 -0.05 0.00 0.00 56.93 58.06 1v31 s PHE 54 Cb -0.04 0.46 -0.07 0.00 -0.63 0.00 0.00 43.02 42.74 1v31 s PHE 54 CO 0.49 -0.36 0.83 -0.80 -0.05 0.00 0.00 175.22 175.33 1v31 s ASN 55 N -1.25 6.54 0.17 1.98 0.01 0.10 -1.76 114.94 120.73 1v31 s ASN 55 Ca -0.01 1.24 -0.20 0.00 -0.71 0.00 0.00 52.86 53.18 1v31 s ASN 55 Cb -0.00 -2.37 -0.08 0.00 0.41 0.00 0.00 41.25 39.21 1v31 s ASN 55 CO 0.01 -0.45 0.68 0.00 -1.51 0.00 0.00 177.10 175.83 1v31 h ASP 57 N 3.89 0.00 0.00 0.00 3.58 -1.96 -3.49 116.42 118.45 1v31 h ASP 57 Ca -0.48 -0.73 0.00 0.00 0.42 0.00 0.00 57.03 56.23 1v31 h ASP 57 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1v31 h ASP 57 CO 0.65 1.07 0.00 0.00 -2.88 0.00 0.00 179.24 178.08 1v31 n ALA 58 N -2.88 0.00 0.03 -0.78 0.00 -1.26 -4.94 120.51 110.68 1v31 n ALA 58 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.35 1v31 n ALA 58 Cb 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.84 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 2.29 0.26 0.00 0.00 -1.26 -3.84 120.51 117.95 1v31 n ALA 59 Ca 0.00 -0.53 0.15 0.00 0.00 0.00 0.00 53.44 53.06 1v31 n ALA 59 Cb 0.00 -0.86 0.64 0.00 0.00 0.00 0.00 19.45 19.22 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 0.26 0.00 3.38 -1.93 -3.24 115.31 113.79 1v31 h LEU 60 Ca -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1v31 h LEU 60 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1v31 h LEU 60 CO 0.02 0.07 -0.12 1.56 0.09 0.00 0.00 178.44 180.05 1v31 h GLN 61 N 0.00 -0.34 -1.94 1.13 1.08 -1.86 0.23 115.11 113.42 1v31 h GLN 61 Ca -0.00 0.02 0.57 0.00 -1.45 0.00 0.00 58.65 57.79 1v31 h GLN 61 Cb 0.56 0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 27.98 1v31 h GLN 61 CO 0.01 -0.22 1.39 1.63 -0.95 0.00 0.00 178.83 180.68 1v31 n LYS 62 N -3.18 -0.00 0.04 1.46 5.02 -1.22 0.17 118.16 120.44 1v31 n LYS 62 Ca -0.04 1.08 -0.02 0.00 -2.02 0.00 0.00 58.31 57.31 1v31 n LYS 62 Cb 0.14 -2.48 -0.01 0.00 -0.02 0.00 0.00 35.03 32.66 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 -1.54 -3.43 116.25 113.17 1v31 h VAL 63 Ca 0.93 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 68.18 1v31 h VAL 63 Cb 3.71 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 1v31 h VAL 63 CO -0.04 0.00 -0.16 -0.26 0.02 0.00 0.00 177.57 177.13 1v31 h PHE 64 N -0.40 0.00 0.00 1.57 0.04 0.17 -3.50 116.94 114.83 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 0.04 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.16 1v31 n GLY 65 N 1.75 1.32 3.38 -1.45 0.00 0.46 -5.01 105.19 105.64 1v31 n GLY 65 Ca -0.02 0.00 -0.31 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 -0.38 2.00 0.24 1.61 2.02 -1.26 -5.02 118.70 117.90 1v31 s GLU 66 Ca 0.00 -1.00 -0.08 0.00 0.02 0.00 0.00 54.97 53.91 1v31 s GLU 66 Cb 0.00 -2.08 0.41 0.00 0.10 0.00 0.00 34.13 32.55 1v31 s GLU 66 CO 0.00 0.54 1.65 0.93 0.02 0.00 0.00 175.26 178.40 1v31 h GLU 67 N 4.91 0.12 0.00 1.61 4.39 -1.97 -3.43 114.58 120.21 1v31 h GLU 67 Ca -0.46 -0.01 -0.43 0.00 0.34 0.00 0.00 59.36 58.80 1v31 h GLU 67 Cb 1.14 -0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.66 1v31 h GLU 67 CO 0.46 0.08 -0.38 0.36 -1.16 0.00 0.00 179.01 178.37 1v31 n LYS 68 N -5.31 0.55 -3.74 2.33 2.85 -1.26 0.12 118.16 113.70 1v31 n LYS 68 Ca 0.12 -2.77 -0.02 0.00 -1.05 0.00 0.00 58.31 54.59 1v31 n LYS 68 Cb 0.44 1.74 -0.01 0.00 -0.65 0.00 0.00 35.03 36.55 1v31 n LYS 68 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1v31 s LEU 69 N 0.00 -0.14 0.08 -5.58 0.20 -0.72 -4.93 118.68 107.58 1v31 s LEU 69 Ca 0.22 -0.37 -0.12 0.00 0.69 0.00 0.00 54.13 54.55 1v31 s LEU 69 Cb 0.01 2.00 -0.06 0.00 -0.43 0.00 0.00 46.19 47.71 1v31 s LEU 69 CO 0.15 -0.79 0.45 -0.54 -0.29 0.00 0.00 176.35 175.33 1v31 s LYS 70 N -3.07 3.86 0.57 1.98 1.02 -1.26 -1.00 119.74 121.84 1v31 s LYS 70 Ca 0.13 0.32 0.37 0.00 0.02 0.00 0.00 55.97 56.81 1v31 s LYS 70 Cb -0.00 -3.04 1.76 0.00 -0.52 0.00 0.00 37.83 36.03 1v31 s LYS 70 CO 0.01 0.57 2.10 0.74 -0.92 0.00 0.00 175.35 177.86 1v31 h PHE 71 N 3.91 0.00 0.05 3.18 0.04 0.20 -2.56 116.94 121.76 1v31 h PHE 71 Ca -0.50 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 59.96 1v31 h PHE 71 Cb 1.20 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.32 1v31 h PHE 71 CO 0.67 0.00 -1.76 0.25 -0.60 0.00 0.00 178.31 176.88 1v31 n THR 72 N -2.98 1.63 0.07 -1.55 -2.24 -1.26 -4.10 114.28 103.84 1v31 n THR 72 Ca -0.01 -0.34 0.20 0.00 -2.27 0.00 0.00 64.05 61.63 1v31 n THR 72 Cb 0.19 -1.87 0.74 0.00 -2.10 0.00 0.00 70.33 67.30 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 -0.53 0.00 -0.93 -0.78 2.86 -1.89 0.09 114.93 113.74 1v31 h MET 73 Ca -0.43 0.00 0.27 0.00 -2.06 0.00 0.00 59.70 57.48 1v31 h MET 73 Cb 1.65 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.28 1v31 h MET 73 CO -0.11 0.00 0.91 0.28 1.06 0.00 0.00 176.91 179.05 1v31 h VAL 74 N 0.00 0.19 -0.17 -2.22 2.07 -1.61 1.41 116.25 115.93 1v31 h VAL 74 Ca 0.20 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.61 1v31 h VAL 74 Cb 0.98 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1v31 h VAL 74 CO -0.00 0.00 -0.34 0.77 0.02 0.00 0.00 177.57 178.02 1v31 h SER 75 N 0.00 0.58 -0.45 0.57 4.64 -1.24 0.25 113.55 117.91 1v31 h SER 75 Ca 0.44 -0.55 -0.19 0.00 -0.47 0.00 0.00 61.79 61.02 1v31 h SER 75 Cb 2.26 -0.17 -0.11 0.00 -0.31 0.00 0.00 62.40 64.07 1v31 h SER 75 CO -0.00 1.03 0.24 0.00 -0.87 0.00 0.00 176.83 177.22 1v31 n GLN 76 N -4.33 2.10 0.00 4.77 10.64 0.47 -3.33 117.38 127.70 1v31 n GLN 76 Ca -0.06 -1.60 0.00 0.00 -1.83 0.00 0.00 57.00 53.51 1v31 n GLN 76 Cb 0.50 -1.71 0.00 0.00 -0.86 0.00 0.00 30.24 28.17 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 -0.14 0.00 -0.02 2.61 4.76 -0.57 -4.81 118.16 119.99 1v31 n LYS 77 Ca 0.26 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.69 1v31 n LYS 77 Cb 1.00 -0.30 0.26 0.00 -1.84 0.00 0.00 35.03 34.15 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 1.22 -0.58 -0.18 -0.00 -0.61 -2.97 117.51 114.38 1v31 h ILE 78 Ca 0.00 -0.89 0.09 0.00 -0.00 0.00 0.00 64.86 64.06 1v31 h ILE 78 Cb 0.25 1.00 -0.11 0.00 -0.00 0.00 0.00 36.82 37.96 1v31 h ILE 78 CO 0.00 0.30 -0.42 0.77 -0.00 0.00 0.00 178.15 178.80 1v31 h SER 79 N 0.53 -1.44 -0.86 2.16 4.64 -1.75 1.73 113.55 118.56 1v31 h SER 79 Ca 0.11 0.24 0.25 0.00 -0.47 0.00 0.00 61.79 61.92 1v31 h SER 79 Cb 0.40 0.66 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 1v31 h SER 79 CO 0.02 -0.33 0.77 -0.74 -0.87 0.00 0.00 176.83 175.67 1v31 h HIS 80 N -0.21 0.00 0.05 4.77 2.76 -1.84 1.12 115.15 121.79 1v31 h HIS 80 Ca 0.19 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 58.05 1v31 h HIS 80 Cb 0.56 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 1v31 h HIS 80 CO -0.70 0.00 -1.75 0.45 -1.30 0.00 0.00 177.93 174.63 1v31 h HIS 81 N 0.00 0.20 -3.19 5.26 3.86 0.20 -3.47 115.15 118.02 1v31 h HIS 81 Ca 0.41 -0.15 -0.58 0.00 -1.16 0.00 0.00 60.37 58.89 1v31 h HIS 81 Cb 1.94 -0.01 0.14 0.00 1.06 0.00 0.00 27.41 30.54 1v31 h HIS 81 CO 0.00 1.28 0.13 1.28 0.86 0.00 0.00 177.93 181.49 1v31 n LEU 82 N -3.24 2.79 -3.95 2.43 4.77 0.38 -4.38 117.00 115.81 1v31 n LEU 82 Ca -0.21 0.97 -0.08 0.00 -0.03 0.00 0.00 56.01 56.66 1v31 n LEU 82 Cb 1.05 -1.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.70 1v31 n LEU 82 CO 0.45 -1.64 -0.18 -0.94 -1.33 0.00 0.00 177.39 173.76 1v31 s SER 83 N -0.87 0.23 -0.07 -1.43 1.04 -1.03 -4.92 113.70 106.66 1v31 s SER 83 Ca 0.66 -0.79 -0.30 0.00 0.48 0.00 0.00 55.95 56.00 1v31 s SER 83 Cb -0.51 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 1v31 s SER 83 CO 0.55 -0.70 1.23 -2.16 0.98 0.00 0.00 173.24 173.13 1v31 s PRO 84 N -3.89 4.33 0.98 4.02 0.04 -1.26 0.37 135.00 139.58 1v31 s PRO 84 Ca 0.07 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.67 1v31 s PRO 84 Cb 0.06 -3.59 0.18 0.00 0.04 0.00 0.00 34.50 31.19 1v31 s PRO 84 CO -0.09 -0.50 1.17 -1.25 0.04 0.00 0.00 177.00 176.37 1v31 s PRO 85 N 2.43 0.58 -0.20 0.56 0.04 -1.26 -4.71 135.00 132.43 1v31 s PRO 85 Ca 0.56 0.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.39 1v31 s PRO 85 Cb -0.25 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1v31 s PRO 85 CO 0.21 -2.54 1.30 -1.25 0.04 0.00 0.00 177.00 174.76 1v31 s PRO 86 N -5.43 4.12 0.00 0.56 0.04 -1.26 -5.02 135.00 128.01 1v31 s PRO 86 Ca 0.67 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1v31 s PRO 86 Cb -0.11 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.61 1v31 s PRO 86 CO 0.54 -0.85 0.00 -0.35 0.04 0.00 0.00 177.00 176.38 1v31 n PRO 87 N 6.86 -0.14 -3.15 0.56 -0.04 -1.26 -5.09 135.00 132.73 1v31 n PRO 87 Ca 0.14 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.64 1v31 n PRO 87 Cb 0.45 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.91 1v31 n PRO 87 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v31 s SER 88 N -1.25 -1.46 0.00 3.54 0.15 -1.26 -5.07 113.70 108.36 1v31 s SER 88 Ca 0.00 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1v31 s SER 88 Cb 0.00 2.04 0.00 0.00 -1.71 0.00 0.00 66.02 66.35 1v31 s SER 88 CO 0.00 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1v31 n GLY 89 N 5.41 0.18 3.81 9.45 0.00 -1.26 -5.09 105.19 117.69 1v31 n GLY 89 Ca 0.02 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1v31 n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v31 s PRO 90 N -0.04 3.27 -0.41 1.61 0.04 -1.26 -5.05 135.00 133.16 1v31 s PRO 90 Ca 0.00 1.11 0.07 0.00 0.04 0.00 0.00 61.00 62.23 1v31 s PRO 90 Cb 0.00 -2.03 0.18 0.00 0.04 0.00 0.00 34.50 32.69 1v31 s PRO 90 CO 0.00 -0.84 0.65 -1.54 0.04 0.00 0.00 177.00 175.31 1v31 s SER 91 N -3.10 -1.50 -0.03 6.66 1.04 -1.26 -5.03 113.70 110.48 1v31 s SER 91 Ca 0.62 -0.79 -0.07 0.00 0.48 0.00 0.00 55.95 56.18 1v31 s SER 91 Cb -0.15 1.92 -0.03 0.00 0.10 0.00 0.00 66.02 67.87 1v31 s SER 91 CO 0.41 -0.16 -0.15 -1.20 0.98 0.00 0.00 173.24 173.12 1v31 n SER 92 N 4.35 1.39 0.00 7.02 7.64 -1.26 -5.31 113.62 127.45 1v31 n SER 92 Ca 0.11 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1v31 n SER 92 Cb 0.57 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1v31 n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64