#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xcv s LYS 2 N 0.00 2.67 0.54 2.12 1.02 -1.26 -4.91 119.74 119.92 1xcv s LYS 2 Ca 0.00 1.43 0.25 0.00 0.02 0.00 0.00 55.97 57.67 1xcv s LYS 2 Cb 0.00 -1.93 1.53 0.00 -0.52 0.00 0.00 37.83 36.91 1xcv s LYS 2 CO 0.00 -1.36 2.16 -0.44 -0.92 0.00 0.00 175.35 174.78 1xcv h ASP 3 N -0.08 0.00 0.44 2.83 5.19 -2.05 0.49 116.42 123.24 1xcv h ASP 3 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1xcv h ASP 3 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1xcv h ASP 3 CO 0.53 0.06 -0.18 0.18 -3.12 0.00 0.00 179.24 176.71 1xcv n LEU 4 N -3.97 0.51 0.00 1.55 4.77 -1.26 -4.93 117.00 113.67 1xcv n LEU 4 Ca -0.03 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1xcv n LEU 4 Cb 0.15 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1xcv n LEU 4 CO 0.30 0.10 0.00 0.52 -1.33 0.00 0.00 177.39 176.98 1xcv n VAL 5 N -1.05 0.00 -3.70 4.08 0.31 0.16 -4.35 118.33 113.78 1xcv n VAL 5 Ca 0.12 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.15 1xcv n VAL 5 Cb 0.31 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.09 1xcv n VAL 5 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xcv s ASP 6 N 0.00 3.92 0.12 4.52 -1.08 -1.26 -4.64 116.67 118.25 1xcv s ASP 6 Ca 0.00 -1.63 -0.27 0.00 -0.52 0.00 0.00 52.55 50.13 1xcv s ASP 6 Cb 0.00 -0.78 -0.06 0.00 -1.46 0.00 0.00 42.92 40.62 1xcv s ASP 6 CO 0.00 -0.41 1.62 0.74 0.52 0.00 0.00 175.17 177.64 1xcv h THR 7 N 6.40 0.34 -0.36 1.71 2.02 -1.97 -2.27 112.91 118.77 1xcv h THR 7 Ca -0.14 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.10 1xcv h THR 7 Cb 1.01 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 1xcv h THR 7 CO 0.46 0.00 0.05 0.74 0.37 0.00 0.00 175.52 177.15 1xcv h THR 8 N -0.46 0.79 -0.44 3.16 2.02 -1.96 -1.56 112.91 114.46 1xcv h THR 8 Ca 0.06 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1xcv h THR 8 Cb 0.54 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1xcv h THR 8 CO -0.24 0.03 0.27 -0.33 0.37 0.00 0.00 175.52 175.62 1xcv h GLU 9 N 0.17 0.59 -0.05 6.66 5.08 -1.93 -1.81 114.58 123.30 1xcv h GLU 9 Ca 0.18 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1xcv h GLU 9 Cb 0.21 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1xcv h GLU 9 CO -0.25 0.41 -0.50 0.52 -1.00 0.00 0.00 179.01 178.19 1xcv h MET 10 N 0.60 0.12 -0.46 2.33 2.86 -0.72 -0.29 114.93 119.38 1xcv h MET 10 Ca 0.16 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.59 1xcv h MET 10 Cb -0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1xcv h MET 10 CO -0.03 0.60 -0.25 1.88 1.06 0.00 0.00 176.91 180.17 1xcv h TYR 11 N 0.10 1.14 -0.53 -0.22 -1.99 -0.53 -0.83 116.97 114.12 1xcv h TYR 11 Ca 0.00 -0.29 -0.12 0.00 2.00 0.00 0.00 58.73 60.32 1xcv h TYR 11 Cb 0.93 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 39.38 1xcv h TYR 11 CO 0.01 1.12 -0.13 -0.07 -0.00 0.00 0.00 178.16 179.09 1xcv h LEU 12 N 0.83 1.02 -0.82 3.88 3.38 -1.20 -0.98 115.31 121.42 1xcv h LEU 12 Ca 0.10 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1xcv h LEU 12 Cb 0.84 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1xcv h LEU 12 CO 0.07 1.15 0.27 -0.09 0.09 0.00 0.00 178.44 179.93 1xcv h ARG 13 N 0.89 1.14 -0.13 1.13 2.43 -0.94 -0.27 114.38 118.64 1xcv h ARG 13 Ca 0.13 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1xcv h ARG 13 Cb 0.70 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1xcv h ARG 13 CO 0.05 0.95 0.04 1.15 -1.51 0.00 0.00 179.97 180.65 1xcv h THR 14 N 1.11 1.18 -0.80 0.20 2.02 -0.86 -0.83 112.91 114.92 1xcv h THR 14 Ca 0.25 -0.55 0.03 0.00 0.77 0.00 0.00 66.41 66.91 1xcv h THR 14 Cb 0.26 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 1xcv h THR 14 CO -0.01 0.16 0.51 0.40 0.37 0.00 0.00 175.52 176.95 1xcv h ILE 15 N 0.02 1.13 0.19 3.11 2.04 -0.95 -1.05 117.51 122.01 1xcv h ILE 15 Ca 0.04 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1xcv h ILE 15 Cb 0.22 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1xcv h ILE 15 CO -0.00 0.18 -0.13 0.22 0.00 0.00 0.00 178.15 178.42 1xcv h TYR 16 N 1.01 -0.35 -0.97 1.37 3.20 -0.79 -2.22 116.97 118.22 1xcv h TYR 16 Ca 0.32 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.20 1xcv h TYR 16 Cb -0.01 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 1xcv h TYR 16 CO -0.03 -0.21 0.64 0.93 -1.64 0.00 0.00 178.16 177.86 1xcv h GLU 17 N -0.32 1.26 -0.64 1.82 5.08 -0.78 -0.78 114.58 120.22 1xcv h GLU 17 Ca -0.01 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1xcv h GLU 17 Cb 0.28 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1xcv h GLU 17 CO -0.00 0.83 0.28 -0.07 -1.00 0.00 0.00 179.01 179.05 1xcv h LEU 18 N 1.30 0.83 -0.52 1.33 3.38 -1.02 -2.00 115.31 118.62 1xcv h LEU 18 Ca 0.36 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 1xcv h LEU 18 Cb -0.13 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 1xcv h LEU 18 CO -0.08 0.73 0.00 -0.33 0.09 0.00 0.00 178.44 178.85 1xcv h GLU 19 N 0.91 0.91 -0.27 1.13 5.08 -0.69 0.41 114.58 122.06 1xcv h GLU 19 Ca 0.22 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1xcv h GLU 19 Cb 0.14 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1xcv h GLU 19 CO -0.02 0.93 0.18 0.93 -1.00 0.00 0.00 179.01 180.02 1xcv h GLU 20 N 0.78 0.34 -0.65 2.33 5.08 -0.48 -1.85 114.58 120.13 1xcv h GLU 20 Ca 0.15 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1xcv h GLU 20 Cb 0.52 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1xcv h GLU 20 CO 0.03 0.23 0.00 -0.85 -1.00 0.00 0.00 179.01 177.41 1xcv n GLU 21 N -4.50 3.83 -2.46 2.33 0.28 -0.84 -4.93 120.64 114.35 1xcv n GLU 21 Ca 0.01 -2.78 -0.17 0.00 -0.16 0.00 0.00 57.16 54.06 1xcv n GLU 21 Cb 0.07 -1.94 0.00 0.00 1.43 0.00 0.00 31.44 31.00 1xcv n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xcv n GLY 22 N 1.02 -0.31 3.58 -1.84 0.00 -0.70 -5.00 105.19 101.95 1xcv n GLY 22 Ca 0.25 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1xcv n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xcv s VAL 23 N -2.89 4.52 0.12 1.61 1.01 0.14 -5.01 120.40 119.89 1xcv s VAL 23 Ca 0.06 -0.13 -0.31 0.00 0.00 0.00 0.00 61.98 61.60 1xcv s VAL 23 Cb -0.03 -3.03 -0.10 0.00 0.00 0.00 0.00 36.38 33.23 1xcv s VAL 23 CO 0.08 0.46 1.76 -0.89 0.00 0.00 0.00 175.10 176.51 1xcv s THR 24 N 0.45 2.64 -0.37 3.92 2.01 -1.26 -3.88 115.64 119.16 1xcv s THR 24 Ca 0.01 0.19 -0.29 0.00 0.31 0.00 0.00 61.69 61.92 1xcv s THR 24 Cb -0.13 -3.12 -0.00 0.00 0.01 0.00 0.00 72.50 69.25 1xcv s THR 24 CO 0.01 0.00 1.54 -2.84 -0.69 0.00 0.00 174.62 172.65 1xcv s PRO 25 N 2.48 3.53 0.01 4.92 0.02 -1.26 -4.95 135.00 139.75 1xcv s PRO 25 Ca 0.78 1.16 0.05 0.00 0.02 0.00 0.00 61.00 63.01 1xcv s PRO 25 Cb -0.44 -4.07 -0.02 0.00 0.02 0.00 0.00 34.50 29.99 1xcv s PRO 25 CO 0.35 -1.61 -0.16 -0.51 -0.33 0.00 0.00 177.00 174.73 1xcv s LEU 26 N 5.82 2.08 0.36 -5.54 1.43 -1.26 -0.10 118.68 121.47 1xcv s LEU 26 Ca 0.68 -0.35 0.12 0.00 -1.03 0.00 0.00 54.13 53.55 1xcv s LEU 26 Cb -0.17 -0.77 0.92 0.00 0.03 0.00 0.00 46.19 46.20 1xcv s LEU 26 CO 0.32 0.15 1.81 0.03 0.23 0.00 0.00 176.35 178.90 1xcv h ARG 27 N 5.45 0.56 -0.97 1.70 3.08 -1.94 0.23 114.38 122.49 1xcv h ARG 27 Ca -0.37 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 59.70 1xcv h ARG 27 Cb 1.16 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 31.02 1xcv h ARG 27 CO 0.47 0.37 0.63 0.00 -1.07 0.00 0.00 179.97 180.37 1xcv h ALA 28 N 1.62 1.32 0.00 0.04 0.00 -1.96 -1.79 119.26 118.49 1xcv h ALA 28 Ca 0.53 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.30 1xcv h ALA 28 Cb 1.07 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1xcv h ALA 28 CO -0.28 0.45 -0.50 0.00 0.00 0.00 0.00 179.25 178.92 1xcv h ARG 29 N 1.17 0.00 -0.24 0.00 3.08 -0.95 -2.95 114.38 114.49 1xcv h ARG 29 Ca 0.41 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.38 1xcv h ARG 29 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1xcv h ARG 29 CO -0.15 0.50 -0.13 0.82 -1.07 0.00 0.00 179.97 179.94 1xcv h ILE 30 N 0.00 1.30 -0.86 2.04 2.04 -0.64 -2.67 117.51 118.73 1xcv h ILE 30 Ca -0.01 -1.23 0.08 0.00 1.00 0.00 0.00 64.86 64.71 1xcv h ILE 30 Cb 1.17 1.59 -0.06 0.00 -0.74 0.00 0.00 36.82 38.78 1xcv h ILE 30 CO 0.07 0.38 0.56 0.00 0.00 0.00 0.00 178.15 179.15 1xcv h ALA 31 N 0.71 1.64 0.06 1.87 0.00 -1.36 -1.32 119.26 120.86 1xcv h ALA 31 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xcv h ALA 31 Cb 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xcv h ALA 31 CO 0.04 0.21 -0.03 1.49 0.00 0.00 0.00 179.25 180.95 1xcv h GLU 32 N 0.88 -0.08 0.00 0.00 4.81 -1.33 -0.89 114.58 117.96 1xcv h GLU 32 Ca 0.39 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1xcv h GLU 32 Cb 0.34 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1xcv h GLU 32 CO -0.15 0.27 -0.07 2.89 -0.73 0.00 0.00 179.01 181.22 1xcv n ARG 33 N -4.96 0.19 -0.17 1.92 1.85 -1.03 -3.13 116.66 111.33 1xcv n ARG 33 Ca -0.08 0.15 0.06 0.00 -1.00 0.00 0.00 57.85 56.97 1xcv n ARG 33 Cb 0.21 -1.71 0.16 0.00 -1.05 0.00 0.00 32.46 30.06 1xcv n ARG 33 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1xcv n LEU 34 N -2.04 2.91 -4.25 2.89 4.77 -0.52 -4.98 117.00 115.78 1xcv n LEU 34 Ca 0.06 -1.86 -0.34 0.00 -0.03 0.00 0.00 56.01 53.84 1xcv n LEU 34 Cb 0.41 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1xcv n LEU 34 CO 0.30 0.71 -0.22 -0.62 -1.33 0.00 0.00 177.39 176.24 1xcv n GLU 35 N 0.66 -2.15 -4.34 3.23 1.02 -0.47 -4.95 120.64 113.65 1xcv n GLU 35 Ca 0.12 0.26 -0.30 0.00 -0.02 0.00 0.00 57.16 57.23 1xcv n GLU 35 Cb 0.43 -4.51 -0.11 0.00 -0.02 0.00 0.00 31.44 27.23 1xcv n GLU 35 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1xcv s GLN 36 N -7.02 1.94 0.81 3.49 -0.21 -0.47 -5.03 119.66 113.17 1xcv s GLN 36 Ca 0.40 -1.09 -0.12 0.00 0.02 0.00 0.00 55.36 54.56 1xcv s GLN 36 Cb -0.22 -2.19 0.08 0.00 1.00 0.00 0.00 33.01 31.68 1xcv s GLN 36 CO 0.96 0.50 1.16 -1.54 -2.12 0.00 0.00 175.29 174.25 1xcv s SER 37 N -2.04 3.75 0.08 5.90 1.04 -1.26 -4.50 113.70 116.67 1xcv s SER 37 Ca 0.18 2.20 -0.28 0.00 0.48 0.00 0.00 55.95 58.54 1xcv s SER 37 Cb -0.11 -2.57 -0.16 0.00 0.10 0.00 0.00 66.02 63.28 1xcv s SER 37 CO 0.10 -2.55 1.68 1.23 0.98 0.00 0.00 173.24 174.68 1xcv h GLY 38 N -1.04 -0.47 0.67 7.32 0.00 -1.96 -0.94 103.07 106.65 1xcv h GLY 38 Ca -0.45 0.18 0.09 0.00 0.00 0.00 0.00 47.33 47.15 1xcv h GLY 38 CO 0.47 -0.18 0.62 -2.55 0.00 0.00 0.00 176.54 174.90 1xcv h PRO 39 N -0.46 1.02 -0.25 4.80 0.11 -1.98 0.36 132.00 135.60 1xcv h PRO 39 Ca -0.04 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1xcv h PRO 39 Cb 0.36 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1xcv h PRO 39 CO 0.06 0.67 0.14 1.15 -0.21 0.00 0.00 178.00 179.81 1xcv h THR 40 N 1.05 1.11 -0.51 -1.15 2.02 -1.88 0.10 112.91 113.65 1xcv h THR 40 Ca 0.44 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 67.28 1xcv h THR 40 Cb 0.32 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1xcv h THR 40 CO -0.20 0.11 0.15 0.58 0.37 0.00 0.00 175.52 176.54 1xcv h VAL 41 N 0.29 1.23 -0.80 3.16 2.07 -0.14 -1.14 116.25 120.93 1xcv h VAL 41 Ca 0.09 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1xcv h VAL 41 Cb 0.06 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1xcv h VAL 41 CO -0.01 0.29 0.45 0.28 0.02 0.00 0.00 177.57 178.60 1xcv h SER 42 N 0.70 0.98 -0.21 0.57 0.02 -0.03 -0.62 113.55 114.96 1xcv h SER 42 Ca 0.16 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.91 1xcv h SER 42 Cb 0.29 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1xcv h SER 42 CO -0.00 0.78 -0.37 1.56 -1.14 0.00 0.00 176.83 177.66 1xcv h GLN 43 N 1.11 0.62 -0.01 3.45 4.20 -0.52 -1.91 115.11 122.05 1xcv h GLN 43 Ca 0.28 -0.38 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1xcv h GLN 43 Cb 0.00 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1xcv h GLN 43 CO -0.05 1.00 0.00 1.15 -0.67 0.00 0.00 178.83 180.26 1xcv h THR 44 N 0.30 1.15 -0.88 -0.54 2.02 -0.96 -2.03 112.91 111.98 1xcv h THR 44 Ca 0.01 -0.46 0.06 0.00 0.77 0.00 0.00 66.41 66.79 1xcv h THR 44 Cb 0.96 1.44 -0.05 0.00 -1.74 0.00 0.00 68.15 68.75 1xcv h THR 44 CO 0.08 0.12 0.57 0.58 0.37 0.00 0.00 175.52 177.25 1xcv h VAL 45 N -0.17 1.09 -1.01 3.16 2.07 -1.18 -0.73 116.25 119.48 1xcv h VAL 45 Ca 0.00 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1xcv h VAL 45 Cb 0.19 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 29.89 1xcv h VAL 45 CO -0.00 0.19 0.67 0.00 0.02 0.00 0.00 177.57 178.44 1xcv h ALA 46 N 1.51 1.29 -0.25 1.67 0.00 -1.01 -2.11 119.26 120.36 1xcv h ALA 46 Ca 0.37 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 1xcv h ALA 46 Cb 0.15 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1xcv h ALA 46 CO -0.13 0.66 -0.49 -0.09 0.00 0.00 0.00 179.25 179.20 1xcv h ARG 47 N 1.36 0.69 0.00 0.00 1.12 -0.49 -2.89 114.38 114.17 1xcv h ARG 47 Ca 0.37 -0.40 -0.02 0.00 -1.11 0.00 0.00 59.98 58.82 1xcv h ARG 47 Cb -0.14 0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 29.85 1xcv h ARG 47 CO -0.08 1.02 -0.10 0.52 -3.11 0.00 0.00 179.97 178.22 1xcv h MET 48 N 0.54 0.00 0.27 0.20 2.86 -0.58 -0.87 114.93 117.36 1xcv h MET 48 Ca 0.03 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1xcv h MET 48 Cb 1.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1xcv h MET 48 CO 0.10 0.10 -0.13 0.93 1.06 0.00 0.00 176.91 178.97 1xcv h GLU 49 N 0.00 -0.35 -0.15 1.72 5.08 -1.19 0.32 114.58 120.00 1xcv h GLU 49 Ca -0.00 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1xcv h GLU 49 Cb 0.24 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1xcv h GLU 49 CO 0.01 -0.00 0.12 0.00 -1.00 0.00 0.00 179.01 178.14 1xcv h ARG 50 N -0.88 0.00 0.00 2.33 3.08 -1.42 1.12 114.38 118.61 1xcv h ARG 50 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1xcv h ARG 50 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1xcv h ARG 50 CO 0.06 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.71 1xcv n ASP 51 N -4.33 0.00 -1.01 7.04 9.92 -0.36 -4.91 116.55 122.91 1xcv n ASP 51 Ca 0.01 0.30 -0.08 0.00 -0.53 0.00 0.00 54.79 54.49 1xcv n ASP 51 Cb 0.25 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 1xcv n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xcv n GLY 52 N 1.17 0.07 0.01 0.44 0.00 0.38 -4.94 105.19 102.33 1xcv n GLY 52 Ca 0.09 -0.52 0.10 0.00 0.00 0.00 0.00 46.02 45.69 1xcv n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xcv n LEU 53 N -1.29 0.17 -3.49 0.99 4.77 0.11 -4.49 117.00 113.76 1xcv n LEU 53 Ca -0.09 -0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.68 1xcv n LEU 53 Cb 0.57 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1xcv n LEU 53 CO 0.13 0.04 0.34 0.54 -1.33 0.00 0.00 177.39 177.11 1xcv s VAL 54 N -3.31 0.02 -0.05 4.08 0.11 -1.19 -2.23 120.40 117.83 1xcv s VAL 54 Ca -0.05 -0.14 0.04 0.00 -2.93 0.00 0.00 61.98 58.90 1xcv s VAL 54 Cb 0.13 -1.02 -0.00 0.00 -1.53 0.00 0.00 36.38 33.96 1xcv s VAL 54 CO 0.84 -0.08 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.67 1xcv s VAL 55 N -3.25 1.45 -0.55 2.04 1.01 0.64 -4.14 120.40 117.59 1xcv s VAL 55 Ca -0.01 -0.71 -0.23 0.00 0.00 0.00 0.00 61.98 61.03 1xcv s VAL 55 Cb -0.00 -1.25 0.05 0.00 0.00 0.00 0.00 36.38 35.18 1xcv s VAL 55 CO -0.08 0.42 0.86 -0.69 0.00 0.00 0.00 175.10 175.61 1xcv s VAL 56 N 0.13 4.50 0.96 2.92 1.01 -1.26 -0.91 120.40 127.75 1xcv s VAL 56 Ca -0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 1xcv s VAL 56 Cb -0.12 -4.50 0.17 0.00 0.00 0.00 0.00 36.38 31.92 1xcv s VAL 56 CO 0.03 -1.08 1.09 0.00 0.00 0.00 0.00 175.10 175.13 1xcv s ALA 57 N 3.62 1.08 0.22 5.51 0.00 -0.25 -4.80 121.76 127.14 1xcv s ALA 57 Ca 0.25 -0.03 -0.08 0.00 0.00 0.00 0.00 51.96 52.10 1xcv s ALA 57 Cb -0.15 -3.22 0.35 0.00 0.00 0.00 0.00 23.12 20.09 1xcv s ALA 57 CO 0.16 -2.75 1.69 1.03 0.00 0.00 0.00 175.76 175.90 1xcv h SER 58 N -1.83 -0.03 0.00 0.00 0.87 -1.96 0.99 113.55 111.59 1xcv h SER 58 Ca -0.52 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1xcv h SER 58 Cb 1.30 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.44 1xcv h SER 58 CO 0.53 -0.02 0.00 -0.90 -0.53 0.00 0.00 176.83 175.91 1xcv n ASP 59 N -5.15 0.00 0.00 6.23 5.75 -1.26 -4.84 116.55 117.27 1xcv n ASP 59 Ca 0.11 -1.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.68 1xcv n ASP 59 Cb 0.37 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1xcv n ASP 59 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1xcv n ARG 60 N -0.67 -0.61 -1.73 0.11 3.00 0.34 -5.01 116.66 112.08 1xcv n ARG 60 Ca 0.06 0.15 -0.31 0.00 -0.01 0.00 0.00 57.85 57.74 1xcv n ARG 60 Cb 0.03 -3.71 0.03 0.00 0.00 0.00 0.00 32.46 28.82 1xcv n ARG 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1xcv s SER 61 N -2.16 5.59 -0.30 0.55 1.04 -1.26 -4.60 113.70 112.56 1xcv s SER 61 Ca 0.00 1.64 -0.15 0.00 0.48 0.00 0.00 55.95 57.92 1xcv s SER 61 Cb 0.00 -2.50 -0.02 0.00 0.10 0.00 0.00 66.02 63.59 1xcv s SER 61 CO 0.00 -1.30 0.39 -0.76 0.98 0.00 0.00 173.24 172.54 1xcv s LEU 62 N -5.23 4.21 -0.37 2.42 1.43 0.85 -1.09 118.68 120.91 1xcv s LEU 62 Ca 0.59 0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.70 1xcv s LEU 62 Cb -0.14 -2.41 0.06 0.00 0.03 0.00 0.00 46.19 43.73 1xcv s LEU 62 CO 0.50 -0.27 0.14 -1.10 0.23 0.00 0.00 176.35 175.85 1xcv s GLN 63 N 2.09 2.46 0.22 1.70 -0.21 -0.09 -4.75 119.66 121.08 1xcv s GLN 63 Ca 0.14 -1.39 -0.30 0.00 0.02 0.00 0.00 55.36 53.83 1xcv s GLN 63 Cb -0.16 -3.51 -0.09 0.00 1.00 0.00 0.00 33.01 30.24 1xcv s GLN 63 CO 0.11 -0.81 1.36 -1.64 -2.12 0.00 0.00 175.29 172.20 1xcv s MET 64 N 1.33 4.34 0.83 2.91 -1.94 -1.26 -0.26 119.30 125.24 1xcv s MET 64 Ca 0.01 2.16 -0.11 0.00 -1.71 0.00 0.00 55.69 56.03 1xcv s MET 64 Cb -0.21 -3.16 0.09 0.00 2.01 0.00 0.00 34.83 33.56 1xcv s MET 64 CO 0.01 -0.32 1.09 0.95 -0.01 0.00 0.00 175.02 176.73 1xcv s THR 65 N 0.08 3.00 0.36 2.05 -4.23 -0.95 -4.64 115.64 111.31 1xcv s THR 65 Ca 0.58 0.32 0.10 0.00 -1.18 0.00 0.00 61.69 61.51 1xcv s THR 65 Cb -0.39 -2.90 0.33 0.00 1.34 0.00 0.00 72.50 70.87 1xcv s THR 65 CO 0.40 -0.42 1.88 -0.65 -0.54 0.00 0.00 174.62 175.28 1xcv h PRO 66 N -1.28 0.64 -0.17 3.99 0.11 -1.91 0.49 132.00 133.88 1xcv h PRO 66 Ca -0.47 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 1xcv h PRO 66 Cb 1.26 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1xcv h PRO 66 CO 0.56 0.43 -0.54 1.15 -0.21 0.00 0.00 178.00 179.38 1xcv h THR 67 N 0.66 1.33 -0.36 -1.15 2.02 -1.90 0.07 112.91 113.58 1xcv h THR 67 Ca 0.44 -1.79 -0.07 0.00 0.77 0.00 0.00 66.41 65.75 1xcv h THR 67 Cb 0.73 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1xcv h THR 67 CO -0.19 0.55 -0.05 1.23 0.37 0.00 0.00 175.52 177.43 1xcv h GLY 68 N 1.11 0.72 1.75 2.16 0.00 -1.02 -2.64 103.07 105.15 1xcv h GLY 68 Ca 0.01 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 1xcv h GLY 68 CO 0.10 0.52 -0.20 -0.09 0.00 0.00 0.00 176.54 176.87 1xcv h ARG 69 N 0.46 0.30 -0.34 4.80 2.43 0.06 -1.02 114.38 121.08 1xcv h ARG 69 Ca 0.10 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1xcv h ARG 69 Cb 0.53 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1xcv h ARG 69 CO 0.03 0.50 -0.11 1.15 -1.51 0.00 0.00 179.97 180.03 1xcv h THR 70 N 0.28 1.28 -0.30 0.20 2.02 -0.87 -1.04 112.91 114.48 1xcv h THR 70 Ca 0.05 -1.18 -0.05 0.00 0.77 0.00 0.00 66.41 66.00 1xcv h THR 70 Cb 0.52 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1xcv h THR 70 CO 0.03 0.39 0.01 0.25 0.37 0.00 0.00 175.52 176.57 1xcv h LEU 71 N 0.45 0.52 -0.51 2.58 5.85 -1.22 -1.86 115.31 121.11 1xcv h LEU 71 Ca 0.08 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1xcv h LEU 71 Cb 0.62 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1xcv h LEU 71 CO 0.04 0.69 0.29 0.00 -0.34 0.00 0.00 178.44 179.13 1xcv h ALA 72 N 0.84 0.66 -0.64 1.25 0.00 -1.15 -0.97 119.26 119.25 1xcv h ALA 72 Ca 0.09 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1xcv h ALA 72 Cb 0.43 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1xcv h ALA 72 CO 0.01 -0.02 0.42 1.15 0.00 0.00 0.00 179.25 180.82 1xcv h THR 73 N 0.58 1.17 -0.10 0.00 2.02 -1.06 -1.28 112.91 114.24 1xcv h THR 73 Ca 0.21 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 1xcv h THR 73 Cb 0.05 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1xcv h THR 73 CO -0.11 0.16 -0.28 0.00 0.37 0.00 0.00 175.52 175.66 1xcv h ALA 74 N 1.23 1.34 -0.31 6.16 0.00 -0.81 -0.67 119.26 126.21 1xcv h ALA 74 Ca 0.23 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1xcv h ALA 74 Cb -0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xcv h ALA 74 CO -0.05 0.46 -0.45 0.28 0.00 0.00 0.00 179.25 179.49 1xcv h VAL 75 N 0.17 1.28 -0.59 0.00 2.07 -0.52 -1.19 116.25 117.47 1xcv h VAL 75 Ca 0.03 -1.63 -0.10 0.00 0.82 0.00 0.00 66.70 65.81 1xcv h VAL 75 Cb 0.59 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1xcv h VAL 75 CO 0.04 0.53 -0.03 0.24 0.02 0.00 0.00 177.57 178.38 1xcv h MET 76 N 0.64 1.06 -0.18 1.57 2.86 -0.92 -1.18 114.93 118.78 1xcv h MET 76 Ca 0.04 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1xcv h MET 76 Cb 1.02 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 1xcv h MET 76 CO 0.10 1.05 0.07 -0.09 1.06 0.00 0.00 176.91 179.10 1xcv h ARG 77 N 0.96 0.26 -0.54 1.72 2.43 -0.97 -0.85 114.38 117.38 1xcv h ARG 77 Ca 0.16 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1xcv h ARG 77 Cb 0.59 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1xcv h ARG 77 CO 0.04 0.34 0.28 0.87 -1.51 0.00 0.00 179.97 179.98 1xcv h LYS 78 N 0.13 0.77 0.01 0.20 1.57 -1.11 -1.14 116.57 117.00 1xcv h LYS 78 Ca 0.06 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1xcv h LYS 78 Cb 0.17 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1xcv h LYS 78 CO -0.00 0.62 -0.01 0.00 -0.57 0.00 0.00 179.45 179.49 1xcv h ALA 79 N 1.11 -0.01 0.00 3.86 0.00 -1.06 -0.21 119.26 122.94 1xcv h ALA 79 Ca 0.19 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1xcv h ALA 79 Cb 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1xcv h ALA 79 CO -0.03 -0.47 -0.41 0.00 0.00 0.00 0.00 179.25 178.34 1xcv h ARG 80 N -0.08 0.00 -0.01 0.00 3.08 -1.10 0.16 114.38 116.43 1xcv h ARG 80 Ca -0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1xcv h ARG 80 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1xcv h ARG 80 CO 0.00 0.41 -0.85 -0.07 -1.07 0.00 0.00 179.97 178.39 1xcv h LEU 81 N 0.00 0.31 -0.30 3.04 3.38 -1.06 -1.76 115.31 118.92 1xcv h LEU 81 Ca -0.00 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 1xcv h LEU 81 Cb 0.79 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1xcv h LEU 81 CO 0.05 1.02 -0.22 0.00 0.09 0.00 0.00 178.44 179.39 1xcv h ALA 82 N 0.96 0.42 -0.96 1.53 0.00 -0.45 -0.74 119.26 120.03 1xcv h ALA 82 Ca -0.04 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1xcv h ALA 82 Cb 1.47 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 1xcv h ALA 82 CO 0.13 0.38 0.62 0.93 0.00 0.00 0.00 179.25 181.32 1xcv h GLU 83 N 0.42 1.17 -0.59 0.00 5.08 -0.65 0.19 114.58 120.20 1xcv h GLU 83 Ca 0.06 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1xcv h GLU 83 Cb 0.77 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1xcv h GLU 83 CO 0.06 0.77 -0.00 0.00 -1.00 0.00 0.00 179.01 178.84 1xcv h ARG 84 N 1.20 1.04 -0.34 2.33 2.47 -1.07 -1.90 114.38 118.11 1xcv h ARG 84 Ca 0.38 -0.33 -0.08 0.00 -1.26 0.00 0.00 59.98 58.70 1xcv h ARG 84 Cb 0.01 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 1xcv h ARG 84 CO -0.13 1.02 -0.09 1.25 0.56 0.00 0.00 179.97 182.59 1xcv h LEU 85 N 0.93 0.67 -1.32 3.04 5.85 -0.26 0.16 115.31 124.38 1xcv h LEU 85 Ca 0.17 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 1xcv h LEU 85 Cb 0.55 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1xcv h LEU 85 CO 0.03 0.88 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.83 1xcv h LEU 86 N 0.45 0.30 0.00 2.25 3.38 -0.54 -2.08 115.31 119.07 1xcv h LEU 86 Ca 0.09 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1xcv h LEU 86 Cb 0.59 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1xcv h LEU 86 CO 0.04 0.45 -0.60 0.74 0.09 0.00 0.00 178.44 179.15 1xcv h THR 87 N 0.30 0.61 -0.13 0.22 2.02 -1.26 0.03 112.91 114.70 1xcv h THR 87 Ca 0.06 -1.63 -0.11 0.00 0.77 0.00 0.00 66.41 65.50 1xcv h THR 87 Cb 0.39 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1xcv h THR 87 CO 0.02 0.21 -0.40 0.44 0.37 0.00 0.00 175.52 176.16 1xcv h ASP 88 N -1.00 0.29 0.00 4.18 3.32 -1.04 -3.28 116.42 118.89 1xcv h ASP 88 Ca -0.12 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 56.73 1xcv h ASP 88 Cb 0.78 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1xcv h ASP 88 CO -0.07 0.66 -1.29 -0.38 -1.72 0.00 0.00 179.24 176.44 1xcv n ILE 89 N -4.04 0.29 0.09 0.35 5.41 -0.83 -4.77 119.36 115.86 1xcv n ILE 89 Ca -0.01 -0.09 -0.06 0.00 1.00 0.00 0.00 62.75 63.59 1xcv n ILE 89 Cb 0.47 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 1xcv n ILE 89 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1xcv h ILE 90 N -0.13 1.57 -0.44 1.39 2.04 -1.53 -3.48 117.51 116.94 1xcv h ILE 90 Ca -0.13 -2.80 -0.08 0.00 1.00 0.00 0.00 64.86 62.85 1xcv h ILE 90 Cb 1.13 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.73 1xcv h ILE 90 CO -0.06 0.80 -0.09 0.61 0.00 0.00 0.00 178.15 179.41 1xcv n GLY 91 N 0.88 0.35 3.74 5.37 0.00 -0.36 -5.00 105.19 110.16 1xcv n GLY 91 Ca -0.01 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1xcv n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xcv s LEU 92 N -1.04 4.40 -0.11 0.99 2.96 -0.15 -4.89 118.68 120.84 1xcv s LEU 92 Ca 0.00 2.50 -0.39 0.00 -0.22 0.00 0.00 54.13 56.02 1xcv s LEU 92 Cb 0.00 -3.61 -0.16 0.00 0.50 0.00 0.00 46.19 42.92 1xcv s LEU 92 CO 0.00 -0.62 1.54 -0.67 -1.32 0.00 0.00 176.35 175.27 1xcv n ASP 93 N 2.80 1.95 -0.44 3.68 2.03 -1.26 -4.69 116.55 120.63 1xcv n ASP 93 Ca 0.08 1.10 0.41 0.00 0.52 0.00 0.00 54.79 56.89 1xcv n ASP 93 Cb 0.42 -1.15 0.77 0.00 -0.72 0.00 0.00 41.12 40.44 1xcv n ASP 93 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1xcv h ILE 94 N 4.28 0.28 0.00 5.18 6.09 -1.95 0.44 117.51 131.83 1xcv h ILE 94 Ca -0.47 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1xcv h ILE 94 Cb 1.33 0.28 0.00 0.00 0.47 0.00 0.00 36.82 38.90 1xcv h ILE 94 CO 0.87 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 176.54 1xcv n ASN 95 N -4.09 0.00 -0.00 2.19 3.02 -1.26 -2.80 115.26 112.32 1xcv n ASN 95 Ca 0.31 -0.04 0.02 0.00 -0.03 0.00 0.00 54.58 54.84 1xcv n ASN 95 Cb 1.48 -0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 40.36 1xcv n ASN 95 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xcv n LYS 96 N -1.27 4.85 -0.22 3.52 4.76 0.15 -4.76 118.16 125.19 1xcv n LYS 96 Ca 0.10 -0.01 -0.06 0.00 -2.87 0.00 0.00 58.31 55.47 1xcv n LYS 96 Cb 0.16 -0.75 0.04 0.00 -1.84 0.00 0.00 35.03 32.63 1xcv n LYS 96 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1xcv h VAL 97 N 0.00 1.17 -0.35 -0.18 2.07 -1.39 -2.52 116.25 115.05 1xcv h VAL 97 Ca 0.00 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1xcv h VAL 97 Cb 0.11 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1xcv h VAL 97 CO 0.00 0.17 0.19 -0.74 0.02 0.00 0.00 177.57 177.21 1xcv h HIS 98 N 0.84 0.48 -0.42 1.57 -0.00 -1.86 -1.39 115.15 114.36 1xcv h HIS 98 Ca 0.22 -0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 60.46 1xcv h HIS 98 Cb -0.05 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 1xcv h HIS 98 CO -0.02 0.38 -0.21 -0.44 -0.00 0.00 0.00 177.93 177.63 1xcv h ASP 99 N 0.43 0.85 0.44 3.26 3.32 -1.87 -0.47 116.42 122.39 1xcv h ASP 99 Ca 0.12 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1xcv h ASP 99 Cb 0.06 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1xcv h ASP 99 CO -0.02 1.04 -0.21 -0.08 -1.72 0.00 0.00 179.24 178.25 1xcv h GLU 100 N 0.73 -0.57 -0.48 3.56 4.57 -1.37 -2.73 114.58 118.29 1xcv h GLU 100 Ca 0.10 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.36 1xcv h GLU 100 Cb 0.74 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.44 1xcv h GLU 100 CO 0.06 -0.31 0.32 0.00 -1.18 0.00 0.00 179.01 177.90 1xcv h ALA 101 N -0.22 1.80 -0.13 2.92 0.00 -1.22 -0.05 119.26 122.36 1xcv h ALA 101 Ca -0.06 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1xcv h ALA 101 Cb 0.52 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1xcv h ALA 101 CO 0.10 0.14 0.11 0.22 0.00 0.00 0.00 179.25 179.82 1xcv h ASP 102 N 0.52 0.00 0.05 0.00 1.82 -0.77 -0.25 116.42 117.80 1xcv h ASP 102 Ca 0.20 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.53 1xcv h ASP 102 Cb 0.14 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.12 1xcv h ASP 102 CO -0.05 0.00 -1.72 0.54 -1.61 0.00 0.00 179.24 176.40 1xcv n ARG 103 N -4.14 0.65 -0.09 0.28 1.74 -0.13 -4.41 116.66 110.55 1xcv n ARG 103 Ca 0.00 0.40 0.02 0.00 -0.77 0.00 0.00 57.85 57.51 1xcv n ARG 103 Cb 0.23 -1.70 0.34 0.00 -1.02 0.00 0.00 32.46 30.31 1xcv n ARG 103 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1xcv h TRP 104 N -0.50 0.70 -0.34 -1.55 4.06 -0.98 -2.82 115.95 114.51 1xcv h TRP 104 Ca -0.42 0.01 0.10 0.00 2.06 0.00 0.00 58.89 60.64 1xcv h TRP 104 Cb 1.66 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 29.58 1xcv h TRP 104 CO 0.07 0.45 0.40 1.05 -3.56 0.00 0.00 178.44 176.85 1xcv h GLU 105 N 0.75 0.00 -0.01 0.49 4.11 -1.26 -0.07 114.58 118.59 1xcv h GLU 105 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 1xcv h GLU 105 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1xcv h GLU 105 CO -0.04 0.00 -0.30 0.72 0.07 0.00 0.00 179.01 179.46 1xcv n HIS 106 N -3.67 0.00 -0.29 2.06 8.25 -1.06 -4.16 115.22 116.35 1xcv n HIS 106 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1xcv n HIS 106 Cb 0.56 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1xcv n HIS 106 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1xcv n VAL 107 N -0.82 0.17 -2.83 1.59 0.24 -0.10 -5.00 118.33 111.58 1xcv n VAL 107 Ca 0.11 -0.44 -0.41 0.00 -2.04 0.00 0.00 64.34 61.56 1xcv n VAL 107 Cb 0.34 1.14 -0.04 0.00 -1.47 0.00 0.00 33.84 33.81 1xcv n VAL 107 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1xcv s MET 108 N -0.17 4.57 0.42 7.34 -1.94 -0.84 -5.05 119.30 123.64 1xcv s MET 108 Ca 0.00 1.27 -0.06 0.00 -1.71 0.00 0.00 55.69 55.20 1xcv s MET 108 Cb 0.00 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.39 1xcv s MET 108 CO 0.00 0.14 0.72 -1.54 -0.01 0.00 0.00 175.02 174.32 1xcv s SER 109 N 0.37 6.35 0.32 3.03 1.04 -1.26 -4.97 113.70 118.58 1xcv s SER 109 Ca 0.45 0.88 0.03 0.00 0.48 0.00 0.00 55.95 57.79 1xcv s SER 109 Cb -0.21 -2.22 0.63 0.00 0.10 0.00 0.00 66.02 64.31 1xcv s SER 109 CO 0.26 -0.44 1.91 0.44 0.98 0.00 0.00 173.24 176.39 1xcv h ASP 110 N 0.75 0.81 -0.38 7.02 5.19 -2.00 -2.19 116.42 125.62 1xcv h ASP 110 Ca -0.47 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 55.97 1xcv h ASP 110 Cb 1.20 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.52 1xcv h ASP 110 CO 0.63 0.50 0.21 -0.33 -3.12 0.00 0.00 179.24 177.13 1xcv h GLU 111 N 0.91 0.42 -0.45 3.56 3.07 -2.00 -1.58 114.58 118.51 1xcv h GLU 111 Ca 0.38 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 59.16 1xcv h GLU 111 Cb 0.30 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 1xcv h GLU 111 CO -0.15 0.28 0.03 0.28 -1.40 0.00 0.00 179.01 178.04 1xcv h VAL 112 N 0.43 1.23 -0.12 3.13 2.07 -1.80 -2.59 116.25 118.60 1xcv h VAL 112 Ca 0.15 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.79 1xcv h VAL 112 Cb 0.03 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1xcv h VAL 112 CO -0.08 0.32 0.02 -0.33 0.02 0.00 0.00 177.57 177.51 1xcv h GLU 113 N 0.68 0.06 -0.63 1.57 5.08 -0.97 0.10 114.58 120.46 1xcv h GLU 113 Ca 0.14 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.61 1xcv h GLU 113 Cb 0.38 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 1xcv h GLU 113 CO 0.01 0.04 0.20 -0.09 -1.00 0.00 0.00 179.01 178.18 1xcv h ARG 114 N 0.06 0.35 -0.71 2.33 9.65 -1.06 0.74 114.38 125.74 1xcv h ARG 114 Ca 0.05 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1xcv h ARG 114 Cb 0.05 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 1xcv h ARG 114 CO -0.08 0.23 0.42 0.00 2.80 0.00 0.00 179.97 183.35 1xcv h ARG 115 N 0.36 0.97 -0.49 0.20 2.47 -1.00 -2.37 114.38 114.52 1xcv h ARG 115 Ca 0.33 -0.09 -0.03 0.00 -1.26 0.00 0.00 59.98 58.92 1xcv h ARG 115 Cb 0.46 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 1xcv h ARG 115 CO -0.36 0.70 0.17 -0.07 0.56 0.00 0.00 179.97 180.96 1xcv h LEU 116 N 0.97 0.65 -0.83 3.04 3.38 0.10 0.20 115.31 122.83 1xcv h LEU 116 Ca 0.26 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1xcv h LEU 116 Cb -0.02 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1xcv h LEU 116 CO -0.05 0.61 0.41 0.58 0.09 0.00 0.00 178.44 180.09 1xcv h VAL 117 N 0.70 1.25 -0.03 1.22 2.07 -0.47 0.13 116.25 121.13 1xcv h VAL 117 Ca 0.17 -0.70 -0.19 0.00 0.82 0.00 0.00 66.70 66.80 1xcv h VAL 117 Cb 0.19 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1xcv h VAL 117 CO -0.01 0.30 -0.81 0.11 0.02 0.00 0.00 177.57 177.18 1xcv h LYS 118 N 1.17 0.28 0.14 1.57 1.57 -0.98 -3.34 116.57 116.99 1xcv h LYS 118 Ca 0.29 -0.26 -0.32 0.00 -1.87 0.00 0.00 60.65 58.49 1xcv h LYS 118 Cb 0.10 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1xcv h LYS 118 CO -0.04 0.95 -1.57 0.28 -0.57 0.00 0.00 179.45 178.50 1xcv h VAL 119 N 0.17 1.12 -3.89 0.50 2.07 -0.80 -3.46 116.25 111.95 1xcv h VAL 119 Ca -0.04 -2.74 -0.51 0.00 0.82 0.00 0.00 66.70 64.23 1xcv h VAL 119 Cb 1.41 2.78 0.05 0.00 -1.52 0.00 0.00 31.29 34.01 1xcv h VAL 119 CO 0.13 0.83 0.54 -0.76 0.02 0.00 0.00 177.57 178.33 1xcv s LEU 120 N -7.09 4.34 0.23 2.57 1.43 0.02 -4.93 118.68 115.25 1xcv s LEU 120 Ca -0.10 2.44 -0.08 0.00 -1.03 0.00 0.00 54.13 55.36 1xcv s LEU 120 Cb 0.06 -3.82 0.24 0.00 0.03 0.00 0.00 46.19 42.70 1xcv s LEU 120 CO 0.86 -0.52 1.88 0.50 0.23 0.00 0.00 176.35 179.30 1xcv h LYS 121 N 3.11 1.05 -2.06 1.70 3.11 -1.89 -3.44 116.57 118.16 1xcv h LYS 121 Ca -0.48 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.27 1xcv h LYS 121 Cb 1.23 -0.24 -0.21 0.00 -1.00 0.00 0.00 32.23 32.01 1xcv h LYS 121 CO 0.64 0.70 0.06 0.16 -2.81 0.00 0.00 179.45 178.20 1xcv s ASP 122 N -5.90 -0.80 -0.31 4.20 -4.77 -1.26 -5.05 116.67 102.78 1xcv s ASP 122 Ca -0.13 1.43 0.07 0.00 -3.30 0.00 0.00 52.55 50.62 1xcv s ASP 122 Cb 0.17 1.38 0.46 0.00 -1.09 0.00 0.00 42.92 43.84 1xcv s ASP 122 CO 0.79 -0.24 1.33 1.33 0.70 0.00 0.00 175.17 179.08 1xcv n VAL 123 N 3.37 2.57 0.00 2.11 0.24 -1.26 -4.72 118.33 120.64 1xcv n VAL 123 Ca -0.17 -3.61 -0.13 0.00 -2.04 0.00 0.00 64.34 58.40 1xcv n VAL 123 Cb 0.57 -0.78 -0.09 0.00 -1.47 0.00 0.00 33.84 32.06 1xcv n VAL 123 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1xcv h SER 124 N 1.67 0.00 -5.32 -1.34 0.02 -1.96 -3.40 113.55 103.22 1xcv h SER 124 Ca 0.28 -0.32 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 1xcv h SER 124 Cb 1.37 -0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.79 1xcv h SER 124 CO 0.60 0.32 -0.37 0.00 -1.14 0.00 0.00 176.83 176.24 1xcv s ARG 125 N -4.93 1.19 0.93 3.45 1.70 -1.26 -1.84 118.95 118.19 1xcv s ARG 125 Ca -0.15 -1.28 -0.12 0.00 -0.47 0.00 0.00 55.73 53.71 1xcv s ARG 125 Cb 0.03 0.36 0.15 0.00 -0.57 0.00 0.00 34.95 34.92 1xcv s ARG 125 CO 0.67 -0.43 1.13 -1.54 -1.08 0.00 0.00 175.30 174.05 1xcv s SER 126 N -3.01 3.29 0.34 -2.89 1.04 0.67 -4.85 113.70 108.29 1xcv s SER 126 Ca 0.22 1.01 0.25 0.00 0.48 0.00 0.00 55.95 57.91 1xcv s SER 126 Cb 0.04 -1.61 1.19 0.00 0.10 0.00 0.00 66.02 65.74 1xcv s SER 126 CO 0.03 -2.70 1.77 -0.65 0.98 0.00 0.00 173.24 172.67 1xcv h PRO 127 N -1.60 0.00 -0.61 4.02 0.11 -1.87 -2.26 132.00 129.80 1xcv h PRO 127 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1xcv h PRO 127 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1xcv h PRO 127 CO 0.61 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.59 1xcv n PHE 128 N -2.39 0.82 0.00 0.65 3.01 -1.26 -4.97 117.46 113.32 1xcv n PHE 128 Ca 0.00 -0.41 0.00 0.00 1.01 0.00 0.00 57.45 58.05 1xcv n PHE 128 Cb 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 1xcv n PHE 128 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xcv n GLY 129 N 1.52 1.55 3.82 1.37 0.00 -0.85 -5.08 105.19 107.52 1xcv n GLY 129 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1xcv n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xcv s ASN 130 N -1.79 7.05 0.40 1.61 0.01 -1.26 -4.78 114.94 116.18 1xcv s ASN 130 Ca 0.00 1.40 -0.26 0.00 -0.71 0.00 0.00 52.86 53.29 1xcv s ASN 130 Cb 0.00 -2.41 -0.09 0.00 0.41 0.00 0.00 41.25 39.16 1xcv s ASN 130 CO 0.00 0.04 1.32 -2.84 -1.51 0.00 0.00 177.10 174.11 1xcv s PRO 131 N -1.94 3.99 -0.50 -0.60 0.02 -1.26 -0.24 135.00 134.46 1xcv s PRO 131 Ca 0.42 2.19 -0.24 0.00 0.02 0.00 0.00 61.00 63.40 1xcv s PRO 131 Cb -0.17 -2.78 0.03 0.00 0.02 0.00 0.00 34.50 31.60 1xcv s PRO 131 CO 0.21 -0.49 0.88 0.42 -0.33 0.00 0.00 177.00 177.69 1xcv s ILE 132 N -1.24 4.51 0.89 2.83 1.01 -0.77 -4.79 121.20 123.64 1xcv s ILE 132 Ca 0.56 0.38 -0.14 0.00 0.00 0.00 0.00 60.65 61.45 1xcv s ILE 132 Cb -0.39 -4.44 0.14 0.00 0.01 0.00 0.00 42.46 37.77 1xcv s ILE 132 CO 0.50 -0.93 1.22 -2.16 0.00 0.00 0.00 174.94 173.58 1xcv s PRO 133 N 3.65 1.28 -0.87 2.79 0.04 -1.26 -4.42 135.00 136.20 1xcv s PRO 133 Ca 0.31 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1xcv s PRO 133 Cb -0.12 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1xcv s PRO 133 CO 0.21 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.62 1xcv n GLY 134 N -3.24 0.78 0.36 0.56 0.00 -1.26 -4.49 105.19 97.91 1xcv n GLY 134 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 1xcv n GLY 134 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xcv h LEU 135 N 0.00 0.84 -0.46 0.99 3.38 -1.96 -0.79 115.31 117.30 1xcv h LEU 135 Ca -0.17 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.63 1xcv h LEU 135 Cb 1.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1xcv h LEU 135 CO 0.25 0.55 -0.72 0.44 0.09 0.00 0.00 178.44 179.05 1xcv h ASP 136 N 0.96 0.35 0.65 -0.43 3.32 -1.96 -2.96 116.42 116.36 1xcv h ASP 136 Ca 0.35 -0.23 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 1xcv h ASP 136 Cb 0.15 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1xcv h ASP 136 CO -0.12 0.96 -0.47 -0.33 -1.72 0.00 0.00 179.24 177.56 1xcv h GLU 137 N 0.20 0.00 -5.27 3.56 3.07 -1.81 -3.40 114.58 110.93 1xcv h GLU 137 Ca -0.03 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.72 1xcv h GLU 137 Cb 1.28 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.16 1xcv h GLU 137 CO 0.12 0.47 0.61 -0.11 -1.40 0.00 0.00 179.01 178.69 1xcv n LEU 138 N -3.74 1.03 0.00 1.33 7.94 -0.36 -5.15 117.00 118.04 1xcv n LEU 138 Ca -0.01 -1.19 0.00 0.00 -1.11 0.00 0.00 56.01 53.70 1xcv n LEU 138 Cb 0.53 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 43.10 1xcv n LEU 138 CO 0.39 -2.27 0.00 0.61 -1.11 0.00 0.00 177.39 175.01