#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0q n ALA 2 N 0.00 2.44 0.22 3.04 0.00 -1.26 -4.89 120.51 120.06 2p0q n ALA 2 Ca 0.00 0.39 -0.07 0.00 0.00 0.00 0.00 53.44 53.76 2p0q n ALA 2 Cb 0.00 -2.46 0.05 0.00 0.00 0.00 0.00 19.45 17.04 2p0q n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2p0q n SER 3 N 2.77 3.57 0.25 0.00 7.64 -1.26 -4.56 113.62 122.04 2p0q n SER 3 Ca 0.12 -2.51 0.08 0.00 1.01 0.00 0.00 58.87 57.57 2p0q n SER 3 Cb 0.35 -0.66 0.62 0.00 -1.01 0.00 0.00 64.21 63.51 2p0q n SER 3 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2p0q h VAL 4 N 0.38 0.97 -4.15 0.44 -1.51 -1.92 -3.44 116.25 107.00 2p0q h VAL 4 Ca 0.18 -0.30 -0.53 0.00 -1.23 0.00 0.00 66.70 64.82 2p0q h VAL 4 Cb 1.47 1.17 0.14 0.00 -2.13 0.00 0.00 31.29 31.94 2p0q h VAL 4 CO 0.34 0.08 0.42 -1.83 -1.23 0.00 0.00 177.57 175.35 2p0q s GLU 5 N -4.77 2.47 0.09 5.19 1.03 -1.26 -4.95 118.70 116.50 2p0q s GLU 5 Ca -0.04 1.75 -0.22 0.00 0.03 0.00 0.00 54.97 56.49 2p0q s GLU 5 Cb 0.16 -1.88 -0.12 0.00 -0.80 0.00 0.00 34.13 31.49 2p0q s GLU 5 CO 0.66 -1.58 1.70 -0.09 -1.33 0.00 0.00 175.26 174.63 2p0q h ARG 6 N 0.12 0.12 -2.66 -4.83 1.12 -2.02 -3.47 114.38 102.76 2p0q h ARG 6 Ca -0.48 -0.01 0.11 0.00 -1.11 0.00 0.00 59.98 58.48 2p0q h ARG 6 Cb 1.29 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 31.19 2p0q h ARG 6 CO 0.52 0.14 0.43 0.34 -3.11 0.00 0.00 179.97 178.29 2p0q s ASP 7 N -5.34 -0.07 0.00 -3.80 2.15 -1.26 -5.02 116.67 103.33 2p0q s ASP 7 Ca -0.13 -0.73 0.00 0.00 0.43 0.00 0.00 52.55 52.12 2p0q s ASP 7 Cb 0.07 0.62 0.00 0.00 -0.30 0.00 0.00 42.92 43.31 2p0q s ASP 7 CO 0.68 -1.20 0.83 -1.84 -0.17 0.00 0.00 175.17 173.47 2p0q n GLU 8 N -0.57 0.00 -0.33 4.34 0.28 -1.26 -1.99 120.64 121.12 2p0q n GLU 8 Ca -0.05 0.34 0.09 0.00 -0.16 0.00 0.00 57.16 57.38 2p0q n GLU 8 Cb 0.60 -1.53 0.26 0.00 1.43 0.00 0.00 31.44 32.20 2p0q n GLU 8 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2p0q h THR 9 N 0.00 0.74 -0.22 3.84 2.02 -1.98 0.42 112.91 117.73 2p0q h THR 9 Ca 0.00 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 2p0q h THR 9 Cb 0.06 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 2p0q h THR 9 CO 0.00 0.13 -0.08 0.03 0.37 0.00 0.00 175.52 175.97 2p0q h ARG 10 N 0.72 0.44 -0.65 6.66 3.08 -1.83 -1.54 114.38 121.27 2p0q h ARG 10 Ca 0.51 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.33 2p0q h ARG 10 Cb 0.73 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 2p0q h ARG 10 CO -0.36 0.70 0.20 0.93 -1.07 0.00 0.00 179.97 180.37 2p0q h GLU 11 N 0.15 0.98 -0.31 0.04 5.08 -1.62 0.15 114.58 119.06 2p0q h GLU 11 Ca 0.05 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2p0q h GLU 11 Cb 0.55 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2p0q h GLU 11 CO 0.03 0.84 0.20 1.25 -1.00 0.00 0.00 179.01 180.33 2p0q h HIS 12 N 0.95 0.37 0.00 4.33 2.76 -0.82 -0.89 115.15 121.86 2p0q h HIS 12 Ca 0.21 0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.25 2p0q h HIS 12 Cb 0.27 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 2p0q h HIS 12 CO 0.02 0.23 -0.68 0.00 -1.30 0.00 0.00 177.93 176.20 2p0q h ARG 13 N 0.40 0.00 0.12 5.26 2.47 -0.69 0.24 114.38 122.19 2p0q h ARG 13 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 2p0q h ARG 13 Cb -0.04 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2p0q h ARG 13 CO -0.03 0.68 -0.13 0.82 0.56 0.00 0.00 179.97 181.88 2p0q h ILE 14 N 0.00 0.72 -0.54 2.04 2.04 -0.56 -1.94 117.51 119.27 2p0q h ILE 14 Ca -0.01 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 2p0q h ILE 14 Cb 1.26 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2p0q h ILE 14 CO 0.09 0.00 0.06 -0.08 0.00 0.00 0.00 178.15 178.22 2p0q h GLU 15 N -0.28 0.91 -0.11 2.37 4.57 -0.88 -0.98 114.58 120.18 2p0q h GLU 15 Ca 0.01 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 2p0q h GLU 15 Cb 0.27 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2p0q h GLU 15 CO -0.04 0.89 0.00 0.25 -1.18 0.00 0.00 179.01 178.93 2p0q n THR 16 N -4.34 0.13 0.10 0.32 -2.24 0.05 -2.71 114.28 105.60 2p0q n THR 16 Ca 0.02 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2p0q n THR 16 Cb 0.28 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 2p0q n THR 16 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2p0q n GLU 17 N 0.38 0.00 -0.30 -0.78 2.13 -0.73 -4.79 120.64 116.54 2p0q n GLU 17 Ca 0.17 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.95 2p0q n GLU 17 Cb 0.37 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.15 2p0q n GLU 17 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2p0q h ILE 18 N 0.00 1.23 0.00 6.31 2.04 -1.20 -3.16 117.51 122.73 2p0q h ILE 18 Ca 0.00 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2p0q h ILE 18 Cb 0.00 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2p0q h ILE 18 CO 0.00 0.25 -0.06 2.30 0.00 0.00 0.00 178.15 180.64 2p0q n ILE 19 N -4.44 1.14 -0.11 -0.67 -5.35 -0.52 -3.80 119.36 105.62 2p0q n ILE 19 Ca 0.08 -1.30 0.10 0.00 -0.27 0.00 0.00 62.75 61.37 2p0q n ILE 19 Cb 0.07 0.25 0.46 0.00 -1.74 0.00 0.00 39.64 38.67 2p0q n ILE 19 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 2p0q h VAL 20 N 1.15 0.93 0.00 7.28 3.04 -1.47 -1.31 116.25 125.86 2p0q h VAL 20 Ca 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 2p0q h VAL 20 Cb 0.87 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 2p0q h VAL 20 CO 0.00 0.09 -0.42 -0.67 -1.01 0.00 0.00 177.57 175.57 2p0q n ASP 21 N -4.48 0.49 -4.75 3.17 2.03 -1.26 -4.94 116.55 106.81 2p0q n ASP 21 Ca 0.10 0.06 -0.29 0.00 0.52 0.00 0.00 54.79 55.19 2p0q n ASP 21 Cb 0.34 0.01 0.11 0.00 -0.72 0.00 0.00 41.12 40.86 2p0q n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2p0q s ALA 22 N -3.06 2.67 0.00 -1.67 0.00 -0.49 -5.04 121.76 114.17 2p0q s ALA 22 Ca 0.10 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2p0q s ALA 22 Cb 0.16 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.43 2p0q s ALA 22 CO 0.67 -1.77 0.00 0.39 0.00 0.00 0.00 175.76 175.05 2p0q n GLU 23 N -3.34 0.00 -4.36 0.00 1.02 -1.26 -4.98 120.64 107.72 2p0q n GLU 23 Ca 0.10 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.05 2p0q n GLU 23 Cb 0.61 -0.20 -0.10 0.00 -0.02 0.00 0.00 31.44 31.73 2p0q n GLU 23 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2p0q s ASP 24 N -4.16 1.66 0.30 1.62 2.15 -1.26 -4.96 116.67 112.02 2p0q s ASP 24 Ca 0.00 -1.48 0.06 0.00 0.43 0.00 0.00 52.55 51.56 2p0q s ASP 24 Cb 0.00 0.25 0.78 0.00 -0.30 0.00 0.00 42.92 43.65 2p0q s ASP 24 CO 0.00 -0.79 1.72 0.07 -0.17 0.00 0.00 175.17 176.00 2p0q h LYS 25 N 2.22 0.52 -0.27 4.34 2.10 -1.98 0.12 116.57 123.62 2p0q h LYS 25 Ca -0.37 -0.03 -0.10 0.00 -2.00 0.00 0.00 60.65 58.15 2p0q h LYS 25 Cb 1.25 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2p0q h LYS 25 CO 0.58 0.34 -0.22 0.93 -2.00 0.00 0.00 179.45 179.08 2p0q h GLU 26 N 0.53 0.62 -0.25 0.07 5.08 -1.98 -0.66 114.58 117.99 2p0q h GLU 26 Ca 0.59 -0.31 -0.12 0.00 -1.00 0.00 0.00 59.36 58.51 2p0q h GLU 26 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2p0q h GLU 26 CO -0.48 0.90 -0.36 0.93 -1.00 0.00 0.00 179.01 179.00 2p0q h GLU 27 N 0.34 0.56 -0.31 2.33 4.39 -1.49 -1.16 114.58 119.25 2p0q h GLU 27 Ca 0.05 -0.27 -0.12 0.00 0.34 0.00 0.00 59.36 59.36 2p0q h GLU 27 Cb 0.77 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2p0q h GLU 27 CO 0.06 0.84 -0.28 0.00 -1.16 0.00 0.00 179.01 178.47 2p0q h ARG 28 N 0.47 0.73 -0.94 2.33 3.08 -0.72 0.15 114.38 119.49 2p0q h ARG 28 Ca 0.05 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2p0q h ARG 28 Cb 0.85 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.86 2p0q h ARG 28 CO 0.07 1.00 0.60 0.00 -1.07 0.00 0.00 179.97 180.57 2p0q h ALA 29 N 0.72 1.19 -0.37 0.04 0.00 -1.01 -1.48 119.26 118.35 2p0q h ALA 29 Ca 0.05 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2p0q h ALA 29 Cb 0.85 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2p0q h ALA 29 CO 0.07 0.61 -0.18 0.52 0.00 0.00 0.00 179.25 180.27 2p0q h MET 30 N 1.28 0.69 0.15 0.00 2.86 -0.86 0.69 114.93 119.74 2p0q h MET 30 Ca 0.34 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.74 2p0q h MET 30 Cb -0.11 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 2p0q h MET 30 CO -0.07 0.83 -0.18 0.78 1.06 0.00 0.00 176.91 179.33 2p0q h GLY 31 N 0.98 -0.36 0.44 8.32 0.00 -0.19 -0.23 103.07 112.04 2p0q h GLY 31 Ca 0.10 0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.69 2p0q h GLY 31 CO 0.05 -0.17 0.02 1.49 0.00 0.00 0.00 176.54 177.93 2p0q h TRP 32 N -0.37 0.02 0.25 5.60 4.06 -1.14 -2.67 115.95 121.70 2p0q h TRP 32 Ca 0.01 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.98 2p0q h TRP 32 Cb 0.36 0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.56 2p0q h TRP 32 CO -0.15 -0.05 -0.20 -0.92 -3.56 0.00 0.00 178.44 173.56 2p0q h TYR 33 N 0.13 -0.52 -0.02 0.49 3.20 -0.30 -1.73 116.97 118.21 2p0q h TYR 33 Ca 0.18 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.87 2p0q h TYR 33 Cb 0.24 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2p0q h TYR 33 CO -0.24 -0.30 -0.78 1.88 -1.64 0.00 0.00 178.16 177.08 2p0q h TYR 34 N -0.46 0.28 -0.44 -3.82 0.05 -0.99 0.82 116.97 112.40 2p0q h TYR 34 Ca -0.01 -0.14 -0.14 0.00 0.05 0.00 0.00 58.73 58.49 2p0q h TYR 34 Cb 0.41 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 2p0q h TYR 34 CO -0.13 0.90 -0.27 1.88 -1.05 0.00 0.00 178.16 179.49 2p0q h TYR 35 N 0.12 1.13 -0.58 4.88 0.05 -1.46 -1.64 116.97 119.48 2p0q h TYR 35 Ca -0.03 -0.30 -0.05 0.00 0.05 0.00 0.00 58.73 58.40 2p0q h TYR 35 Cb 1.36 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.82 2p0q h TYR 35 CO 0.02 1.12 0.16 -0.07 -1.05 0.00 0.00 178.16 178.35 2p0q h LEU 36 N 0.81 0.86 -1.67 3.88 4.07 -1.09 -1.19 115.31 120.98 2p0q h LEU 36 Ca 0.09 -0.22 0.02 0.00 0.08 0.00 0.00 57.88 57.85 2p0q h LEU 36 Cb 0.86 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 2p0q h LEU 36 CO 0.08 0.85 0.25 -0.78 -1.08 0.00 0.00 178.44 177.76 2p0q h ASP 37 N 0.82 0.38 1.79 -0.43 3.58 -0.72 0.64 116.42 122.49 2p0q h ASP 37 Ca 0.18 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.59 2p0q h ASP 37 Cb 0.32 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2p0q h ASP 37 CO -0.00 0.27 -0.18 -0.78 -2.88 0.00 0.00 179.24 175.67 2p0q h ASP 38 N 0.44 0.00 0.00 2.28 3.58 -0.85 -3.39 116.42 118.48 2p0q h ASP 38 Ca 0.14 0.00 -0.42 0.00 0.42 0.00 0.00 57.03 57.18 2p0q h ASP 38 Cb 0.04 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.02 2p0q h ASP 38 CO -0.03 0.18 -2.46 0.41 -2.88 0.00 0.00 179.24 174.45 2p0q n THR 39 N -3.15 1.45 -2.15 2.25 -1.04 -0.49 -4.97 114.28 106.18 2p0q n THR 39 Ca 0.03 -0.44 -0.42 0.00 -2.04 0.00 0.00 64.05 61.18 2p0q n THR 39 Cb 0.60 -1.67 -0.03 0.00 -1.82 0.00 0.00 70.33 67.41 2p0q n THR 39 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2p0q s LEU 40 N -7.05 4.35 -0.13 -4.42 1.43 0.10 -4.46 118.68 108.49 2p0q s LEU 40 Ca -0.36 2.26 -0.02 0.00 -1.03 0.00 0.00 54.13 54.98 2p0q s LEU 40 Cb 0.12 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 2p0q s LEU 40 CO 0.51 -0.72 2.56 -0.62 0.23 0.00 0.00 176.35 178.31 2p0q n GLU 41 N 4.81 1.64 -1.24 1.70 -0.58 -1.26 -4.95 120.64 120.76 2p0q n GLU 41 Ca 0.13 -0.94 -0.33 0.00 -0.42 0.00 0.00 57.16 55.60 2p0q n GLU 41 Cb 0.43 -1.56 0.11 0.00 -0.57 0.00 0.00 31.44 29.84 2p0q n GLU 41 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 2p0q s PHE 42 N -0.36 2.03 0.41 -0.32 -0.12 -1.26 -4.30 117.98 114.06 2p0q s PHE 42 Ca 0.33 1.65 -0.26 0.00 -0.05 0.00 0.00 56.93 58.60 2p0q s PHE 42 Cb 0.19 -3.37 -0.09 0.00 -0.63 0.00 0.00 43.02 39.13 2p0q s PHE 42 CO -0.03 -2.51 1.30 -1.25 -0.05 0.00 0.00 175.22 172.67 2p0q s PRO 43 N -4.23 3.94 0.15 1.99 0.04 -1.26 -4.95 135.00 130.67 2p0q s PRO 43 Ca 0.70 2.14 -0.07 0.00 0.04 0.00 0.00 61.00 63.81 2p0q s PRO 43 Cb -0.26 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 2p0q s PRO 43 CO 0.50 -0.51 0.22 -0.59 0.04 0.00 0.00 177.00 176.65 2p0q s PHE 44 N -1.28 0.49 0.12 0.56 -0.12 -0.92 -4.99 117.98 111.85 2p0q s PHE 44 Ca 0.58 -0.87 -0.11 0.00 -0.05 0.00 0.00 56.93 56.48 2p0q s PHE 44 Cb -0.38 -0.16 -0.06 0.00 -0.63 0.00 0.00 43.02 41.79 2p0q s PHE 44 CO 0.48 -0.66 0.46 1.41 -0.05 0.00 0.00 175.22 176.86 2p0q s MET 45 N -3.98 3.82 0.29 1.99 -2.45 -1.26 -0.22 119.30 117.50 2p0q s MET 45 Ca 0.18 0.26 -0.16 0.00 -1.25 0.00 0.00 55.69 54.72 2p0q s MET 45 Cb 0.04 -2.92 0.02 0.00 1.25 0.00 0.00 34.83 33.22 2p0q s MET 45 CO -0.00 0.50 0.63 0.20 1.05 0.00 0.00 175.02 177.40 2p0q s GLY 46 N -1.87 0.32 -0.24 2.11 0.00 -0.10 -0.57 107.32 106.97 2p0q s GLY 46 Ca 0.37 -0.67 -0.11 0.00 0.00 0.00 0.00 44.72 44.31 2p0q s GLY 46 CO 0.19 -0.38 0.18 1.25 0.00 0.00 0.00 173.10 174.34 2p0q s LYS 47 N -3.59 4.07 -0.63 2.90 2.47 0.35 -0.82 119.74 124.50 2p0q s LYS 47 Ca 0.17 -0.24 -0.26 0.00 -1.56 0.00 0.00 55.97 54.08 2p0q s LYS 47 Cb -0.04 -3.55 0.04 0.00 -1.46 0.00 0.00 37.83 32.83 2p0q s LYS 47 CO 0.10 0.04 1.12 -0.46 0.16 0.00 0.00 175.35 176.30 2p0q s TRP 48 N 1.11 2.58 -1.41 4.03 -0.00 0.56 -1.43 118.94 124.38 2p0q s TRP 48 Ca 0.08 0.04 -0.08 0.00 -0.00 0.00 0.00 56.10 56.14 2p0q s TRP 48 Cb -0.14 -4.40 0.07 0.00 -0.00 0.00 0.00 33.47 29.00 2p0q s TRP 48 CO 0.05 -1.67 2.47 1.63 -0.00 0.00 0.00 176.95 179.43 2p0q n LYS 49 N 8.33 4.15 -1.59 5.86 5.02 0.12 -1.29 118.16 138.77 2p0q n LYS 49 Ca 0.03 -3.09 -0.47 0.00 -2.02 0.00 0.00 58.31 52.76 2p0q n LYS 49 Cb 0.48 -2.75 -0.05 0.00 -0.02 0.00 0.00 35.03 32.70 2p0q n LYS 49 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2p0q n LYS 50 N 2.70 1.85 -1.29 1.97 4.81 0.40 -4.60 118.16 123.99 2p0q n LYS 50 Ca 0.63 0.59 -0.22 0.00 -0.87 0.00 0.00 58.31 58.44 2p0q n LYS 50 Cb 0.26 -2.79 -0.10 0.00 0.02 0.00 0.00 35.03 32.42 2p0q n LYS 50 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2p0q n LYS 51 N 7.77 2.53 -0.50 1.64 4.81 -1.26 -1.18 118.16 131.98 2p0q n LYS 51 Ca 0.30 -1.82 0.00 0.00 -0.87 0.00 0.00 58.31 55.92 2p0q n LYS 51 Cb 0.33 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.20 2p0q n LYS 51 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2p0q n SER 52 N 1.94 0.00 -0.35 3.14 7.64 -0.24 -3.61 113.62 122.14 2p0q n SER 52 Ca 0.50 -1.97 0.02 0.00 1.01 0.00 0.00 58.87 58.43 2p0q n SER 52 Cb 0.66 -0.19 0.16 0.00 -1.01 0.00 0.00 64.21 63.83 2p0q n SER 52 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2p0q h ARG 53 N 0.00 1.09 0.00 1.43 2.43 -1.13 -3.40 114.38 114.80 2p0q h ARG 53 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2p0q h ARG 53 Cb 1.39 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2p0q h ARG 53 CO 0.00 0.72 -0.34 1.63 -1.51 0.00 0.00 179.97 180.47 2p0q n LYS 54 N -4.53 0.00 0.16 0.20 5.02 -1.26 -5.01 118.16 112.73 2p0q n LYS 54 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2p0q n LYS 54 Cb 0.17 -0.18 0.00 0.00 -0.02 0.00 0.00 35.03 35.00 2p0q n LYS 54 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2p0q n THR 55 N -2.73 0.00 -2.63 -0.18 -2.24 -1.26 -4.98 114.28 100.26 2p0q n THR 55 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2p0q n THR 55 Cb 0.17 -0.39 0.04 0.00 -2.10 0.00 0.00 70.33 68.05 2p0q n THR 55 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2p0q n SER 56 N -3.44 0.65 -4.41 3.42 7.64 -1.26 -4.61 113.62 111.61 2p0q n SER 56 Ca 0.00 -2.05 -0.31 0.00 1.01 0.00 0.00 58.87 57.53 2p0q n SER 56 Cb 0.00 -0.16 -0.14 0.00 -1.01 0.00 0.00 64.21 62.91 2p0q n SER 56 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2p0q s THR 57 N -1.69 2.52 0.31 0.44 -4.23 -1.24 -4.85 115.64 106.89 2p0q s THR 57 Ca 0.23 -1.24 -0.27 0.00 -1.18 0.00 0.00 61.69 59.23 2p0q s THR 57 Cb 0.33 -2.02 -0.10 0.00 1.34 0.00 0.00 72.50 72.05 2p0q s THR 57 CO -0.09 0.37 0.95 -0.63 -0.54 0.00 0.00 174.62 174.69 2p0q s ILE 58 N -0.86 4.14 0.04 2.99 -1.09 -1.26 -0.81 121.20 124.35 2p0q s ILE 58 Ca 0.13 1.86 0.01 0.00 -2.23 0.00 0.00 60.65 60.42 2p0q s ILE 58 Cb -0.10 -4.07 -0.02 0.00 -1.58 0.00 0.00 42.46 36.69 2p0q s ILE 58 CO 0.03 0.22 -0.06 -0.70 -1.23 0.00 0.00 174.94 173.21 2p0q s GLU 59 N -1.85 0.46 -0.09 2.79 2.12 -0.32 -4.70 118.70 117.10 2p0q s GLU 59 Ca 0.48 -0.72 0.03 0.00 0.36 0.00 0.00 54.97 55.12 2p0q s GLU 59 Cb -0.21 -0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.04 2p0q s GLU 59 CO 0.26 0.01 -0.21 -1.21 -0.54 0.00 0.00 175.26 173.58 2p0q s GLU 60 N -1.62 2.69 0.03 4.30 2.02 -1.26 -0.46 118.70 124.40 2p0q s GLU 60 Ca -0.11 -0.75 0.05 0.00 0.02 0.00 0.00 54.97 54.17 2p0q s GLU 60 Cb -0.09 -2.08 -0.02 0.00 0.10 0.00 0.00 34.13 32.04 2p0q s GLU 60 CO -0.00 0.12 -0.14 0.15 0.02 0.00 0.00 175.26 175.41 2p0q s LYS 61 N 0.48 0.98 -0.16 1.61 1.02 -0.41 -4.99 119.74 118.26 2p0q s LYS 61 Ca -0.17 -0.70 -0.19 0.00 0.02 0.00 0.00 55.97 54.93 2p0q s LYS 61 Cb -0.17 -0.98 -0.03 0.00 -0.52 0.00 0.00 37.83 36.13 2p0q s LYS 61 CO 0.07 0.25 0.55 0.99 -0.92 0.00 0.00 175.35 176.29 2p0q s THR 62 N -0.72 5.10 0.08 2.17 2.01 -1.26 -0.32 115.64 122.70 2p0q s THR 62 Ca 0.03 1.06 0.01 0.00 0.31 0.00 0.00 61.69 63.09 2p0q s THR 62 Cb -0.07 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2p0q s THR 62 CO 0.01 0.21 -0.05 0.68 -0.69 0.00 0.00 174.62 174.78 2p0q s VAL 63 N 1.32 0.50 -0.23 3.82 -7.23 -0.00 -1.40 120.40 117.19 2p0q s VAL 63 Ca 0.27 -1.85 -0.05 0.00 -1.81 0.00 0.00 61.98 58.54 2p0q s VAL 63 Cb -0.16 -1.57 -0.01 0.00 0.56 0.00 0.00 36.38 35.20 2p0q s VAL 63 CO 0.11 -0.90 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.28 2p0q s GLU 64 N -3.77 3.45 0.17 4.82 2.12 -0.07 -0.92 118.70 124.49 2p0q s GLU 64 Ca 0.09 -0.59 -0.29 0.00 0.36 0.00 0.00 54.97 54.54 2p0q s GLU 64 Cb 0.06 -3.08 -0.07 0.00 0.26 0.00 0.00 34.13 31.29 2p0q s GLU 64 CO -0.07 -0.19 0.90 0.14 -0.54 0.00 0.00 175.26 175.51 2p0q s VAL 65 N 1.48 4.33 -0.12 3.70 -7.23 0.70 -0.32 120.40 122.94 2p0q s VAL 65 Ca 0.06 1.97 0.20 0.00 -1.81 0.00 0.00 61.98 62.40 2p0q s VAL 65 Cb -0.14 -4.27 -0.24 0.00 0.56 0.00 0.00 36.38 32.29 2p0q s VAL 65 CO -0.02 0.43 0.51 0.18 -0.31 0.00 0.00 175.10 175.90 2p0q n LEU 66 N 2.07 0.28 0.00 1.32 7.99 0.10 -2.16 117.00 126.59 2p0q n LEU 66 Ca -0.01 0.12 0.00 0.00 -0.01 0.00 0.00 56.01 56.10 2p0q n LEU 66 Cb 0.48 0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.93 2p0q n LEU 66 CO 0.49 0.13 0.00 0.61 -1.51 0.00 0.00 177.39 177.12 2p0q n GLY 67 N 1.40 2.03 3.76 -0.72 0.00 -1.25 -4.13 105.19 106.27 2p0q n GLY 67 Ca -0.12 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 2p0q n GLY 67 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2p0q s MET 68 N -2.00 3.10 1.00 1.61 -1.94 -1.26 -0.88 119.30 118.93 2p0q s MET 68 Ca 0.00 1.83 -0.12 0.00 -1.71 0.00 0.00 55.69 55.69 2p0q s MET 68 Cb 0.00 -2.00 0.19 0.00 2.01 0.00 0.00 34.83 35.03 2p0q s MET 68 CO 0.00 -1.10 1.08 0.00 -0.01 0.00 0.00 175.02 174.99 2p0q s ALA 69 N -1.59 0.79 0.50 3.03 0.00 -0.21 -4.59 121.76 119.69 2p0q s ALA 69 Ca 0.75 -0.10 -0.21 0.00 0.00 0.00 0.00 51.96 52.40 2p0q s ALA 69 Cb -0.30 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 2p0q s ALA 69 CO 0.33 -2.96 0.88 -2.30 0.00 0.00 0.00 175.76 171.72 2p0q n PRO 70 N -4.30 1.01 0.25 0.00 -0.02 -1.26 -4.89 135.00 125.79 2p0q n PRO 70 Ca 0.06 0.38 0.14 0.00 -2.02 0.00 0.00 63.50 62.05 2p0q n PRO 70 Cb 0.55 -1.99 0.80 0.00 -0.02 0.00 0.00 33.50 32.84 2p0q n PRO 70 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2p0q h ASP 71 N 0.94 0.00 -0.00 2.55 2.03 -1.96 -2.93 116.42 117.05 2p0q h ASP 71 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2p0q h ASP 71 Cb 1.36 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.86 2p0q h ASP 71 CO 0.53 0.00 0.00 -0.78 -1.03 0.00 0.00 179.24 177.96 2p0q h ASP 72 N 0.00 0.00 -0.00 4.15 3.58 -2.03 -1.49 116.42 120.63 2p0q h ASP 72 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2p0q h ASP 72 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2p0q h ASP 72 CO -0.00 0.00 -0.15 -1.84 -2.88 0.00 0.00 179.24 174.37 2p0q n GLU 73 N -3.54 2.67 -0.66 0.28 0.28 -1.11 -4.64 120.64 113.92 2p0q n GLU 73 Ca -0.03 -0.42 -0.04 0.00 -0.16 0.00 0.00 57.16 56.51 2p0q n GLU 73 Cb 0.08 -0.94 0.19 0.00 1.43 0.00 0.00 31.44 32.20 2p0q n GLU 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2p0q n LEU 75 N -0.02 0.41 0.00 0.00 4.77 -1.25 -4.14 117.00 116.77 2p0q n LEU 75 Ca 0.27 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2p0q n LEU 75 Cb 1.03 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 2p0q n LEU 75 CO 0.29 0.07 -0.19 0.29 -1.33 0.00 0.00 177.39 176.52 2p0q n LYS 76 N -0.92 2.78 -3.54 3.23 5.02 -1.26 -4.59 118.16 118.87 2p0q n LYS 76 Ca 0.16 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.29 2p0q n LYS 76 Cb 0.25 -0.69 -0.06 0.00 -0.02 0.00 0.00 35.03 34.51 2p0q n LYS 76 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2p0q s ASP 77 N -1.19 -0.59 0.38 4.39 2.15 -1.26 -5.07 116.67 115.47 2p0q s ASP 77 Ca 0.00 0.68 -0.24 0.00 0.43 0.00 0.00 52.55 53.42 2p0q s ASP 77 Cb 0.00 0.53 -0.10 0.00 -0.30 0.00 0.00 42.92 43.05 2p0q s ASP 77 CO 0.00 -0.52 0.97 -0.04 -0.17 0.00 0.00 175.17 175.40 2p0q s MET 78 N -1.08 4.37 0.06 4.34 -1.94 -1.26 -4.31 119.30 119.49 2p0q s MET 78 Ca -0.08 1.29 0.00 0.00 -1.71 0.00 0.00 55.69 55.19 2p0q s MET 78 Cb -0.00 -2.53 -0.04 0.00 2.01 0.00 0.00 34.83 34.26 2p0q s MET 78 CO 0.07 0.09 -0.04 0.71 -0.01 0.00 0.00 175.02 175.83 2p0q s TYR 79 N -1.82 0.63 -0.01 -0.03 1.51 -1.26 -0.55 117.35 115.82 2p0q s TYR 79 Ca 0.56 -0.93 -0.02 0.00 -1.01 0.00 0.00 57.07 55.67 2p0q s TYR 79 Cb -0.16 -0.41 0.00 0.00 -0.11 0.00 0.00 41.96 41.28 2p0q s TYR 79 CO 0.21 -0.27 0.04 0.14 -1.11 0.00 0.00 175.55 174.56 2p0q s VAL 80 N -3.43 0.02 0.17 0.71 -7.23 0.19 -1.05 120.40 109.78 2p0q s VAL 80 Ca 0.05 -0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.76 2p0q s VAL 80 Cb 0.04 -0.11 -0.07 0.00 0.56 0.00 0.00 36.38 36.80 2p0q s VAL 80 CO -0.07 -0.09 0.96 -1.61 -0.31 0.00 0.00 175.10 173.99 2p0q s GLU 81 N -0.26 4.75 0.03 4.82 2.02 -0.06 -1.02 118.70 128.99 2p0q s GLU 81 Ca -0.03 1.49 0.01 0.00 0.02 0.00 0.00 54.97 56.45 2p0q s GLU 81 Cb -0.02 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.86 2p0q s GLU 81 CO -0.00 0.32 -0.04 0.14 0.02 0.00 0.00 175.26 175.70 2p0q s VAL 82 N -0.48 0.25 -0.10 2.63 -7.23 0.01 -0.72 120.40 114.75 2p0q s VAL 82 Ca 0.45 -1.00 0.04 0.00 -1.81 0.00 0.00 61.98 59.66 2p0q s VAL 82 Cb -0.25 -0.41 -0.00 0.00 0.56 0.00 0.00 36.38 36.28 2p0q s VAL 82 CO 0.31 -0.48 -0.22 0.00 -0.31 0.00 0.00 175.10 174.40 2p0q s ALA 83 N -1.52 2.24 -0.94 1.32 0.00 0.56 -0.37 121.76 123.04 2p0q s ALA 83 Ca -0.13 -0.96 -0.20 0.00 0.00 0.00 0.00 51.96 50.66 2p0q s ALA 83 Cb -0.09 -0.86 0.10 0.00 0.00 0.00 0.00 23.12 22.27 2p0q s ALA 83 CO -0.01 0.30 1.23 0.34 0.00 0.00 0.00 175.76 177.61 2p0q s ASP 84 N 0.30 6.56 0.36 0.00 2.15 -1.25 -0.89 116.67 123.90 2p0q s ASP 84 Ca -0.17 -1.78 0.04 0.00 0.43 0.00 0.00 52.55 51.07 2p0q s ASP 84 Cb -0.17 -2.46 0.69 0.00 -0.30 0.00 0.00 42.92 40.68 2p0q s ASP 84 CO 0.08 -1.24 1.99 0.40 -0.17 0.00 0.00 175.17 176.24 2p0q h ILE 85 N 6.16 1.10 -0.02 4.11 2.04 -1.69 -0.58 117.51 128.64 2p0q h ILE 85 Ca 0.14 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2p0q h ILE 85 Cb 1.02 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2p0q h ILE 85 CO 1.22 0.15 0.00 0.61 0.00 0.00 0.00 178.15 180.13 2p0q n GLY 86 N -1.44 0.85 0.00 5.37 0.00 -0.49 -4.58 105.19 104.89 2p0q n GLY 86 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2p0q n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p0q n GLY 87 N 0.16 4.62 0.26 -0.02 0.00 -0.38 -4.92 105.19 104.91 2p0q n GLY 87 Ca 0.01 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.56 2p0q n GLY 87 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p0q h LYS 88 N 0.00 0.06 -3.28 1.61 1.57 -1.85 -3.46 116.57 111.22 2p0q h LYS 88 Ca 0.00 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 2p0q h LYS 88 Cb 0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2p0q h LYS 88 CO 0.00 0.07 -0.26 -3.47 -0.57 0.00 0.00 179.45 175.23 2p0q n ASP 89 N -4.50 -3.35 -0.26 0.86 2.03 -0.36 -4.70 116.55 106.27 2p0q n ASP 89 Ca -0.02 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.53 2p0q n ASP 89 Cb 0.11 -2.95 0.00 0.00 -0.72 0.00 0.00 41.12 37.56 2p0q n ASP 89 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2p0q n ASP 90 N -1.34 0.00 -3.75 1.67 2.03 -1.26 -4.98 116.55 108.92 2p0q n ASP 90 Ca -0.12 -1.17 -0.10 0.00 0.52 0.00 0.00 54.79 53.92 2p0q n ASP 90 Cb 0.53 -0.03 -0.06 0.00 -0.72 0.00 0.00 41.12 40.84 2p0q n ASP 90 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2p0q s ASP 91 N -0.17 -0.05 0.08 1.67 2.15 -1.26 -5.14 116.67 113.95 2p0q s ASP 91 Ca 0.00 -0.49 0.05 0.00 0.43 0.00 0.00 52.55 52.54 2p0q s ASP 91 Cb 0.00 0.40 -0.03 0.00 -0.30 0.00 0.00 42.92 42.99 2p0q s ASP 91 CO 0.00 -0.79 -0.13 0.54 -0.17 0.00 0.00 175.17 174.62 2p0q s VAL 92 N -3.83 1.08 0.34 1.11 0.11 -1.26 -3.81 120.40 114.14 2p0q s VAL 92 Ca 0.04 -1.42 0.06 0.00 -2.93 0.00 0.00 61.98 57.72 2p0q s VAL 92 Cb 0.03 -1.17 -0.02 0.00 -1.53 0.00 0.00 36.38 33.69 2p0q s VAL 92 CO -0.11 -0.33 0.34 -0.31 -3.33 0.00 0.00 175.10 171.35 2p0q s TYR 93 N -1.64 1.63 -0.01 1.54 1.51 0.50 -4.98 117.35 115.89 2p0q s TYR 93 Ca 0.01 -1.60 0.04 0.00 -1.01 0.00 0.00 57.07 54.51 2p0q s TYR 93 Cb -0.08 -0.57 -0.01 0.00 -0.11 0.00 0.00 41.96 41.20 2p0q s TYR 93 CO 0.02 -0.96 -0.13 0.99 -1.11 0.00 0.00 175.55 174.36 2p0q s THR 94 N -3.27 1.06 0.09 -0.71 2.01 -1.26 -0.81 115.64 112.74 2p0q s THR 94 Ca 0.38 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 61.86 2p0q s THR 94 Cb 0.01 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 2p0q s THR 94 CO 0.27 0.30 -0.13 0.00 -0.69 0.00 0.00 174.62 174.37 2p0q s ALA 95 N -0.28 1.18 0.34 7.40 0.00 -0.19 -4.94 121.76 125.28 2p0q s ALA 95 Ca 0.04 -1.08 -0.27 0.00 0.00 0.00 0.00 51.96 50.65 2p0q s ALA 95 Cb -0.06 -0.05 -0.09 0.00 0.00 0.00 0.00 23.12 22.92 2p0q s ALA 95 CO -0.00 0.09 1.09 -1.59 0.00 0.00 0.00 175.76 175.35 2p0q s LYS 96 N -2.15 4.38 0.53 0.00 0.00 -1.26 -0.64 119.74 120.61 2p0q s LYS 96 Ca 0.01 1.69 0.20 0.00 0.00 0.00 0.00 55.97 57.88 2p0q s LYS 96 Cb -0.07 -2.88 1.37 0.00 0.00 0.00 0.00 37.83 36.26 2p0q s LYS 96 CO 0.02 0.01 2.12 1.25 0.00 0.00 0.00 175.35 178.75 2p0q h LEU 97 N 3.16 0.00 -1.21 2.77 5.85 -1.12 -0.61 115.31 124.16 2p0q h LEU 97 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2p0q h LEU 97 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2p0q h LEU 97 CO 0.65 0.00 0.00 -1.20 -0.34 0.00 0.00 178.44 177.55 2p0q n SER 98 N -4.39 0.48 -0.24 1.25 7.64 -1.26 -1.50 113.62 115.60 2p0q n SER 98 Ca 0.00 0.72 0.04 0.00 1.01 0.00 0.00 58.87 60.64 2p0q n SER 98 Cb 0.22 -0.79 0.08 0.00 -1.01 0.00 0.00 64.21 62.71 2p0q n SER 98 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2p0q n ASP 99 N -2.15 2.44 -4.51 6.43 9.92 -0.24 -5.02 116.55 123.42 2p0q n ASP 99 Ca -0.01 -2.26 -0.31 0.00 -0.53 0.00 0.00 54.79 51.67 2p0q n ASP 99 Cb 0.03 -0.17 -0.12 0.00 -0.64 0.00 0.00 41.12 40.22 2p0q n ASP 99 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2p0q s ILE 100 N -1.46 3.15 -0.21 0.53 -1.09 -0.56 0.16 121.20 121.72 2p0q s ILE 100 Ca 0.14 -1.01 -0.02 0.00 -2.23 0.00 0.00 60.65 57.54 2p0q s ILE 100 Cb 0.10 -2.35 0.06 0.00 -1.58 0.00 0.00 42.46 38.70 2p0q s ILE 100 CO 0.05 0.36 0.00 -0.70 -1.23 0.00 0.00 174.94 173.43 2p0q s GLU 101 N -1.43 1.00 0.55 2.79 2.12 -0.51 -4.95 118.70 118.27 2p0q s GLU 101 Ca 0.16 -0.63 -0.19 0.00 0.36 0.00 0.00 54.97 54.66 2p0q s GLU 101 Cb -0.11 -2.29 -0.05 0.00 0.26 0.00 0.00 34.13 31.94 2p0q s GLU 101 CO 0.06 -0.63 1.16 0.00 -0.54 0.00 0.00 175.26 175.31 2p0q s ALA 102 N 1.69 2.67 -0.09 6.30 0.00 -1.26 -0.49 121.76 130.58 2p0q s ALA 102 Ca -0.03 0.89 0.04 0.00 0.00 0.00 0.00 51.96 52.87 2p0q s ALA 102 Cb -0.18 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 2p0q s ALA 102 CO -0.07 -0.89 -0.22 0.42 0.00 0.00 0.00 175.76 175.00 2p0q s ILE 103 N -1.70 2.32 -1.61 0.00 1.01 0.26 -4.77 121.20 116.72 2p0q s ILE 103 Ca 0.74 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 60.27 2p0q s ILE 103 Cb -0.26 -1.89 0.14 0.00 0.01 0.00 0.00 42.46 40.46 2p0q s ILE 103 CO 0.29 0.56 0.77 -0.67 0.00 0.00 0.00 174.94 175.89 2p0q n ASP 104 N 3.21 -3.55 -4.96 3.58 2.03 -1.26 -4.34 116.55 111.26 2p0q n ASP 104 Ca -0.18 -0.88 -0.20 0.00 0.52 0.00 0.00 54.79 54.05 2p0q n ASP 104 Cb 0.52 -2.90 0.04 0.00 -0.72 0.00 0.00 41.12 38.06 2p0q n ASP 104 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2p0q s VAL 105 N -3.21 2.67 0.80 5.18 0.11 -1.26 -4.99 120.40 119.70 2p0q s VAL 105 Ca 0.69 -0.78 -0.11 0.00 -2.93 0.00 0.00 61.98 58.85 2p0q s VAL 105 Cb -0.37 -2.89 0.08 0.00 -1.53 0.00 0.00 36.38 31.66 2p0q s VAL 105 CO 0.85 0.00 1.12 -0.62 -3.33 0.00 0.00 175.10 173.12 2p0q s ASP 106 N -4.45 4.02 0.22 3.54 2.15 -1.26 -4.82 116.67 116.07 2p0q s ASP 106 Ca 0.58 2.01 -0.08 0.00 0.43 0.00 0.00 52.55 55.49 2p0q s ASP 106 Cb -0.09 -2.55 0.24 0.00 -0.30 0.00 0.00 42.92 40.22 2p0q s ASP 106 CO 0.37 -2.37 1.86 -0.78 -0.17 0.00 0.00 175.17 174.09 2p0q h ASP 107 N -1.17 0.82 1.05 -0.34 3.58 -1.98 -0.42 116.42 117.95 2p0q h ASP 107 Ca -0.44 -0.00 -0.14 0.00 0.42 0.00 0.00 57.03 56.87 2p0q h ASP 107 Cb 1.25 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.10 2p0q h ASP 107 CO 0.48 0.56 -0.66 -0.78 -2.88 0.00 0.00 179.24 175.96 2p0q h ASP 108 N 0.97 0.00 -0.14 2.28 3.58 -1.92 0.21 116.42 121.40 2p0q h ASP 108 Ca 0.32 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.73 2p0q h ASP 108 Cb 0.04 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 2p0q h ASP 108 CO -0.12 0.66 -0.08 0.74 -2.88 0.00 0.00 179.24 177.57 2p0q h THR 109 N 0.00 1.32 -0.31 2.25 2.02 -1.67 -1.81 112.91 114.72 2p0q h THR 109 Ca -0.01 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 2p0q h THR 109 Cb 1.37 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 2p0q h THR 109 CO 0.09 0.33 0.15 -0.61 0.37 0.00 0.00 175.52 175.84 2p0q h GLN 110 N -0.06 0.44 -0.81 6.66 -0.00 -0.87 -1.30 115.11 119.18 2p0q h GLN 110 Ca 0.03 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.60 2p0q h GLN 110 Cb 0.55 -0.08 -0.04 0.00 0.00 0.00 0.00 27.48 27.92 2p0q h GLN 110 CO 0.02 0.41 0.46 0.93 0.00 0.00 0.00 178.83 180.66 2p0q h GLU 111 N 0.36 1.11 -0.64 1.69 4.39 -0.99 0.63 114.58 121.13 2p0q h GLU 111 Ca 0.10 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2p0q h GLU 111 Cb 0.12 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2p0q h GLU 111 CO -0.01 0.80 0.24 0.00 -1.16 0.00 0.00 179.01 178.87 2p0q h ALA 112 N 1.25 0.84 -0.07 3.43 0.00 -1.03 0.74 119.26 124.41 2p0q h ALA 112 Ca 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2p0q h ALA 112 Cb -0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2p0q h ALA 112 CO -0.05 0.47 0.02 0.82 0.00 0.00 0.00 179.25 180.51 2p0q h ILE 113 N 0.91 1.19 -0.54 0.00 2.04 -0.76 -1.50 117.51 118.85 2p0q h ILE 113 Ca 0.21 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.55 2p0q h ILE 113 Cb 0.24 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 2p0q h ILE 113 CO -0.01 0.16 0.28 0.00 0.00 0.00 0.00 178.15 178.57 2p0q h ALA 114 N 0.81 0.69 -0.85 1.87 0.00 -0.74 0.24 119.26 121.28 2p0q h ALA 114 Ca 0.02 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2p0q h ALA 114 Cb 0.23 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2p0q h ALA 114 CO -0.00 -0.06 0.56 0.22 0.00 0.00 0.00 179.25 179.97 2p0q h ASP 115 N 0.54 0.96 -0.31 0.00 3.58 -0.71 0.37 116.42 120.85 2p0q h ASP 115 Ca 0.24 -0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.56 2p0q h ASP 115 Cb 0.14 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 2p0q h ASP 115 CO -0.16 0.69 -0.23 -0.25 -2.88 0.00 0.00 179.24 176.40 2p0q h TRP 116 N 1.14 0.83 -0.06 0.28 2.91 -0.83 -2.60 115.95 117.61 2p0q h TRP 116 Ca 0.32 -0.23 -0.06 0.00 1.13 0.00 0.00 58.89 60.05 2p0q h TRP 116 Cb -0.10 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 28.36 2p0q h TRP 116 CO -0.01 0.96 -0.24 -0.07 -1.03 0.00 0.00 178.44 178.05 2p0q h LEU 117 N 0.46 0.09 0.05 0.65 3.38 -0.33 0.45 115.31 120.06 2p0q h LEU 117 Ca 0.06 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2p0q h LEU 117 Cb 0.79 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2p0q h LEU 117 CO 0.06 0.34 -0.02 1.88 0.09 0.00 0.00 178.44 180.79 2p0q h TYR 118 N 0.09 -0.06 -0.93 1.13 0.05 -0.86 -0.31 116.97 116.07 2p0q h TYR 118 Ca 0.01 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.84 2p0q h TYR 118 Cb 0.48 0.02 -0.06 0.00 1.01 0.00 0.00 36.73 38.18 2p0q h TYR 118 CO 0.00 0.16 0.61 2.35 -1.05 0.00 0.00 178.16 180.23 2p0q h TRP 119 N -0.28 1.12 0.55 4.88 2.91 -1.01 0.21 115.95 124.34 2p0q h TRP 119 Ca -0.01 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.01 2p0q h TRP 119 Cb 0.25 -0.37 0.01 0.00 -0.51 0.00 0.00 29.16 28.53 2p0q h TRP 119 CO -0.00 0.62 -0.27 1.25 -1.03 0.00 0.00 178.44 179.01 2p0q h LEU 120 N 1.14 -0.63 -2.05 0.65 5.85 -0.82 -1.29 115.31 118.15 2p0q h LEU 120 Ca 0.38 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 2p0q h LEU 120 Cb 0.08 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2p0q h LEU 120 CO -0.13 -0.44 -0.06 0.00 -0.34 0.00 0.00 178.44 177.48 2p0q h ALA 121 N -0.32 1.13 0.00 1.25 0.00 -0.48 -1.05 119.26 119.78 2p0q h ALA 121 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2p0q h ALA 121 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2p0q h ALA 121 CO 0.13 0.07 0.00 -2.13 0.00 0.00 0.00 179.25 177.32 2p0q n ARG 122 N -3.34 0.14 -2.45 0.00 3.00 0.69 -4.82 116.66 109.88 2p0q n ARG 122 Ca -0.01 0.38 -0.03 0.00 -0.00 0.00 0.00 57.85 58.19 2p0q n ARG 122 Cb 0.22 -1.77 0.01 0.00 0.00 0.00 0.00 32.46 30.91 2p0q n ARG 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2p0q n GLY 123 N -0.02 0.62 5.34 5.14 0.00 -0.40 -4.66 105.19 111.21 2p0q n GLY 123 Ca 0.02 -0.64 0.05 0.00 0.00 0.00 0.00 46.02 45.45 2p0q n GLY 123 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2p0q n TYR 124 N -3.17 -2.25 0.00 1.61 4.02 -0.50 -4.91 117.16 111.96 2p0q n TYR 124 Ca -0.01 0.42 0.00 0.00 -0.01 0.00 0.00 57.90 58.30 2p0q n TYR 124 Cb 0.51 -0.61 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 2p0q n TYR 124 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2p0q n LYS 125 N -2.17 0.96 0.00 -0.72 5.02 -1.26 -5.01 118.16 114.98 2p0q n LYS 125 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.36 2p0q n LYS 125 Cb 0.15 -0.80 0.38 0.00 -0.02 0.00 0.00 35.03 34.74 2p0q n LYS 125 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85