#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0q s ALA 2 N 0.00 -1.36 -1.30 -5.12 0.00 -1.26 -5.06 121.76 107.66 2p0q s ALA 2 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.41 2p0q s ALA 2 Cb 0.00 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.74 2p0q s ALA 2 CO 0.00 -0.63 0.50 0.43 0.00 0.00 0.00 175.76 176.06 2p0q n SER 3 N -0.00 0.54 0.00 0.00 7.64 -1.26 -2.13 113.62 118.41 2p0q n SER 3 Ca -0.17 -1.54 0.00 0.00 1.01 0.00 0.00 58.87 58.17 2p0q n SER 3 Cb 0.63 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2p0q n SER 3 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2p0q n VAL 4 N -0.07 0.00 -1.94 0.44 0.24 -1.26 -4.88 118.33 110.86 2p0q n VAL 4 Ca 0.00 -0.42 -0.42 0.00 -2.04 0.00 0.00 64.34 61.46 2p0q n VAL 4 Cb 0.14 1.10 -0.00 0.00 -1.47 0.00 0.00 33.84 33.60 2p0q n VAL 4 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2p0q n GLU 5 N -0.30 2.89 -0.11 7.34 1.02 -0.91 -4.80 120.64 125.78 2p0q n GLU 5 Ca 0.00 -2.76 0.04 0.00 -0.02 0.00 0.00 57.16 54.42 2p0q n GLU 5 Cb 0.03 -3.34 0.36 0.00 -0.02 0.00 0.00 31.44 28.47 2p0q n GLU 5 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2p0q h ARG 6 N 6.50 0.71 -2.19 3.49 1.12 -1.89 -3.45 114.38 118.67 2p0q h ARG 6 Ca 0.53 -0.04 0.12 0.00 -1.11 0.00 0.00 59.98 59.48 2p0q h ARG 6 Cb 0.70 -0.16 -0.16 0.00 -0.01 0.00 0.00 29.97 30.35 2p0q h ARG 6 CO 1.77 0.47 0.52 0.34 -3.11 0.00 0.00 179.97 179.96 2p0q s ASP 7 N -6.44 -0.35 0.58 -3.80 2.15 -1.26 -5.02 116.67 102.53 2p0q s ASP 7 Ca -0.09 0.02 0.34 0.00 0.43 0.00 0.00 52.55 53.25 2p0q s ASP 7 Cb 0.18 0.36 1.85 0.00 -0.30 0.00 0.00 42.92 45.01 2p0q s ASP 7 CO 0.76 -0.58 2.03 1.05 -0.17 0.00 0.00 175.17 178.26 2p0q h GLU 8 N 2.03 0.00 -1.00 4.34 4.11 -2.02 -1.02 114.58 121.02 2p0q h GLU 8 Ca -0.21 0.00 0.23 0.00 0.07 0.00 0.00 59.36 59.45 2p0q h GLU 8 Cb 1.23 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.39 2p0q h GLU 8 CO 0.30 0.00 0.63 1.15 0.07 0.00 0.00 179.01 181.16 2p0q h THR 9 N 0.00 0.61 -0.15 -1.06 2.02 -1.98 -0.92 112.91 111.42 2p0q h THR 9 Ca 0.00 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 2p0q h THR 9 Cb 0.25 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 2p0q h THR 9 CO 0.00 0.10 0.05 0.03 0.37 0.00 0.00 175.52 176.07 2p0q h ARG 10 N 0.53 0.24 -0.59 6.66 2.47 -1.60 0.39 114.38 122.48 2p0q h ARG 10 Ca 0.58 -0.05 0.06 0.00 -1.26 0.00 0.00 59.98 59.30 2p0q h ARG 10 Cb 1.23 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 29.47 2p0q h ARG 10 CO -0.32 0.36 0.30 0.93 0.56 0.00 0.00 179.97 181.80 2p0q h GLU 11 N 0.07 0.55 -0.35 0.04 4.39 -1.53 -1.18 114.58 116.57 2p0q h GLU 11 Ca 0.05 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 2p0q h GLU 11 Cb 0.22 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2p0q h GLU 11 CO -0.00 0.36 0.10 0.45 -1.16 0.00 0.00 179.01 178.76 2p0q h HIS 12 N 0.57 0.57 -0.43 4.33 3.86 -0.83 -0.37 115.15 122.85 2p0q h HIS 12 Ca 0.27 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 2p0q h HIS 12 Cb 0.20 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 2p0q h HIS 12 CO -0.10 0.56 0.22 0.00 0.86 0.00 0.00 177.93 179.47 2p0q h ARG 13 N 0.41 0.61 0.25 2.45 2.47 -0.60 0.24 114.38 120.22 2p0q h ARG 13 Ca 0.11 -0.08 0.01 0.00 -1.26 0.00 0.00 59.98 58.76 2p0q h ARG 13 Cb 0.27 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.44 2p0q h ARG 13 CO -0.00 0.51 -0.34 0.82 0.56 0.00 0.00 179.97 181.51 2p0q h ILE 14 N 0.56 0.29 -0.56 2.04 2.04 -1.09 -1.17 117.51 119.63 2p0q h ILE 14 Ca 0.15 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.96 2p0q h ILE 14 Cb 0.09 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 2p0q h ILE 14 CO -0.02 0.00 0.14 -0.08 0.00 0.00 0.00 178.15 178.19 2p0q h GLU 15 N -0.65 0.85 0.00 2.37 4.81 -0.76 -0.96 114.58 120.25 2p0q h GLU 15 Ca -0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2p0q h GLU 15 Cb 0.63 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2p0q h GLU 15 CO -0.12 0.76 -1.05 0.25 -0.73 0.00 0.00 179.01 178.13 2p0q n THR 16 N -4.27 0.00 0.00 0.32 -2.24 0.05 -2.67 114.28 105.47 2p0q n THR 16 Ca 0.04 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2p0q n THR 16 Cb 0.22 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 2p0q n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2p0q n GLU 17 N -1.54 4.09 -0.08 -0.78 1.02 -0.45 -4.71 120.64 118.19 2p0q n GLU 17 Ca 0.03 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.03 2p0q n GLU 17 Cb 0.34 -0.64 -0.07 0.00 -0.02 0.00 0.00 31.44 31.05 2p0q n GLU 17 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2p0q n ILE 18 N -0.45 0.94 -0.61 -3.67 5.41 -0.47 -4.72 119.36 115.79 2p0q n ILE 18 Ca 0.00 -0.31 0.04 0.00 1.00 0.00 0.00 62.75 63.48 2p0q n ILE 18 Cb 0.01 -1.37 0.05 0.00 -0.71 0.00 0.00 39.64 37.63 2p0q n ILE 18 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2p0q n ILE 19 N -3.33 1.22 -0.19 1.39 -5.35 -0.58 -3.65 119.36 108.86 2p0q n ILE 19 Ca -0.31 -1.37 0.14 0.00 -0.27 0.00 0.00 62.75 60.94 2p0q n ILE 19 Cb 0.78 0.25 0.46 0.00 -1.74 0.00 0.00 39.64 39.38 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 0.62 0.82 -0.00 7.28 3.04 -1.68 -1.29 116.25 125.04 2p0q h VAL 20 Ca 0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 2p0q h VAL 20 Cb 0.78 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 2p0q h VAL 20 CO 0.00 0.09 -0.36 -0.67 -1.01 0.00 0.00 177.57 175.62 2p0q n ASP 21 N -4.50 0.76 -4.59 3.17 2.03 -1.26 -4.96 116.55 107.19 2p0q n ASP 21 Ca 0.15 -0.58 -0.29 0.00 0.52 0.00 0.00 54.79 54.59 2p0q n ASP 21 Cb 0.50 0.17 0.14 0.00 -0.72 0.00 0.00 41.12 41.21 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 -2.73 1.96 0.00 -1.67 0.00 -0.49 -5.01 121.76 113.82 2p0q s ALA 22 Ca 0.18 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2p0q s ALA 22 Cb 0.18 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.35 2p0q s ALA 22 CO 0.60 -2.30 0.00 -1.91 0.00 0.00 0.00 175.76 172.15 2p0q n GLU 23 N -3.75 0.00 -3.52 0.00 4.07 -1.26 -4.98 120.64 111.19 2p0q n GLU 23 Ca 0.09 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.97 2p0q n GLU 23 Cb 0.60 -0.10 0.01 0.00 -0.06 0.00 0.00 31.44 31.88 2p0q n GLU 23 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2p0q s ASP 24 N -2.21 4.92 0.26 4.31 2.15 -1.26 -4.98 116.67 119.87 2p0q s ASP 24 Ca 0.00 -0.97 0.09 0.00 0.43 0.00 0.00 52.55 52.11 2p0q s ASP 24 Cb 0.00 0.09 0.33 0.00 -0.30 0.00 0.00 42.92 43.04 2p0q s ASP 24 CO 0.00 -1.05 1.60 0.07 -0.17 0.00 0.00 175.17 175.62 2p0q h LYS 25 N 0.65 0.04 -0.56 4.34 2.10 -1.99 -1.06 116.57 120.09 2p0q h LYS 25 Ca -0.36 -0.03 -0.07 0.00 -2.00 0.00 0.00 60.65 58.20 2p0q h LYS 25 Cb 1.29 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.60 2p0q h LYS 25 CO 0.52 0.65 0.09 0.93 -2.00 0.00 0.00 179.45 179.63 2p0q h GLU 26 N 0.03 0.93 -0.23 0.07 5.08 -1.96 -1.38 114.58 117.12 2p0q h GLU 26 Ca -0.01 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 58.00 2p0q h GLU 26 Cb 1.11 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2p0q h GLU 26 CO 0.08 0.89 -0.31 0.93 -1.00 0.00 0.00 179.01 179.61 2p0q h GLU 27 N 0.82 0.47 -0.51 2.33 4.39 -1.91 -1.10 114.58 119.07 2p0q h GLU 27 Ca 0.17 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 2p0q h GLU 27 Cb 0.42 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 2p0q h GLU 27 CO 0.01 0.73 0.01 0.00 -1.16 0.00 0.00 179.01 178.59 2p0q h ARG 28 N 0.41 0.90 -0.61 2.33 3.08 -0.94 0.12 114.38 119.66 2p0q h ARG 28 Ca 0.05 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 59.83 2p0q h ARG 28 Cb 0.74 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 2p0q h ARG 28 CO 0.06 0.93 0.40 0.00 -1.07 0.00 0.00 179.97 180.28 2p0q h ALA 29 N 0.94 0.79 -0.51 0.04 0.00 -0.89 -1.42 119.26 118.20 2p0q h ALA 29 Ca 0.15 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2p0q h ALA 29 Cb 0.52 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2p0q h ALA 29 CO 0.03 0.18 0.05 0.52 0.00 0.00 0.00 179.25 180.02 2p0q h MET 30 N 0.80 0.83 -0.02 0.00 2.86 -0.97 -0.17 114.93 118.27 2p0q h MET 30 Ca 0.23 -0.21 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2p0q h MET 30 Cb -0.06 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 2p0q h MET 30 CO -0.07 0.80 -0.11 0.78 1.06 0.00 0.00 176.91 179.37 2p0q h GLY 31 N 0.98 -0.12 0.68 8.32 0.00 -0.14 0.04 103.07 112.83 2p0q h GLY 31 Ca 0.16 0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.67 2p0q h GLY 31 CO 0.01 -0.12 0.17 1.49 0.00 0.00 0.00 176.54 178.09 2p0q h TRP 32 N -0.19 0.30 0.19 5.60 4.06 -1.11 -1.88 115.95 122.93 2p0q h TRP 32 Ca 0.05 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.02 2p0q h TRP 32 Cb 0.25 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.32 2p0q h TRP 32 CO -0.18 0.13 -0.19 -0.92 -3.56 0.00 0.00 178.44 173.71 2p0q h TYR 33 N 0.34 -0.50 -0.18 0.49 3.20 -0.36 -1.22 116.97 118.74 2p0q h TYR 33 Ca 0.19 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.92 2p0q h TYR 33 Cb 0.15 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 2p0q h TYR 33 CO -0.13 -0.29 -0.47 1.88 -1.64 0.00 0.00 178.16 177.50 2p0q h TYR 34 N -0.41 0.57 -0.22 -3.82 0.05 -0.94 0.38 116.97 112.59 2p0q h TYR 34 Ca 0.00 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.59 2p0q h TYR 34 Cb 0.39 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 2p0q h TYR 34 CO -0.15 0.86 0.11 -0.92 -1.05 0.00 0.00 178.16 177.01 2p0q h TYR 35 N 0.38 0.31 -0.33 4.88 3.20 -1.17 -0.63 116.97 123.61 2p0q h TYR 35 Ca 0.02 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 2p0q h TYR 35 Cb 0.97 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 2p0q h TYR 35 CO 0.03 0.31 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.77 2p0q h LEU 36 N 0.22 0.59 -1.64 2.82 4.07 -1.05 -1.70 115.31 118.63 2p0q h LEU 36 Ca 0.07 -0.33 0.01 0.00 0.08 0.00 0.00 57.88 57.71 2p0q h LEU 36 Cb 0.11 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 2p0q h LEU 36 CO -0.01 0.78 0.25 -0.78 -1.08 0.00 0.00 178.44 177.60 2p0q h ASP 37 N 0.40 0.42 1.52 -0.43 3.58 -0.81 0.74 116.42 121.84 2p0q h ASP 37 Ca 0.09 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 2p0q h ASP 37 Cb 0.49 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 2p0q h ASP 37 CO 0.02 0.30 -0.29 -0.78 -2.88 0.00 0.00 179.24 175.62 2p0q h ASP 38 N 0.50 0.00 0.00 2.28 3.58 -0.84 -3.39 116.42 118.55 2p0q h ASP 38 Ca 0.14 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 57.16 2p0q h ASP 38 Cb -0.05 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 40.93 2p0q h ASP 38 CO -0.03 0.29 -2.52 0.41 -2.88 0.00 0.00 179.24 174.51 2p0q n THR 39 N -3.21 1.51 -2.10 2.25 -1.04 -0.52 -4.96 114.28 106.20 2p0q n THR 39 Ca 0.02 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.05 61.13 2p0q n THR 39 Cb 0.61 -1.65 -0.03 0.00 -1.82 0.00 0.00 70.33 67.44 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 -7.01 4.34 -0.10 -4.42 1.43 0.14 -4.45 118.68 108.61 2p0q s LEU 40 Ca -0.37 2.28 -0.03 0.00 -1.03 0.00 0.00 54.13 54.97 2p0q s LEU 40 Cb 0.12 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.69 2p0q s LEU 40 CO 0.55 -0.79 2.84 -0.62 0.23 0.00 0.00 176.35 178.56 2p0q n GLU 41 N 5.40 1.73 -0.93 1.70 -0.58 -1.26 -4.95 120.64 121.76 2p0q n GLU 41 Ca 0.14 -0.95 -0.31 0.00 -0.42 0.00 0.00 57.16 55.62 2p0q n GLU 41 Cb 0.42 -1.68 0.14 0.00 -0.57 0.00 0.00 31.44 29.75 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 -0.00 2.01 0.55 -0.32 -0.12 -1.26 -4.44 117.98 114.40 2p0q s PHE 42 Ca 0.42 1.70 -0.20 0.00 -0.05 0.00 0.00 56.93 58.79 2p0q s PHE 42 Cb 0.22 -3.22 -0.05 0.00 -0.63 0.00 0.00 43.02 39.34 2p0q s PHE 42 CO -0.03 -2.40 1.20 -1.25 -0.05 0.00 0.00 175.22 172.70 2p0q s PRO 43 N -4.76 3.23 0.16 1.99 0.04 -1.26 -4.98 135.00 129.42 2p0q s PRO 43 Ca 0.64 1.83 -0.13 0.00 0.04 0.00 0.00 61.00 63.39 2p0q s PRO 43 Cb -0.20 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.26 2p0q s PRO 43 CO 0.57 -1.00 0.37 -0.59 0.04 0.00 0.00 177.00 176.39 2p0q s PHE 44 N -1.57 0.12 0.31 0.56 -0.12 -0.95 -5.00 117.98 111.33 2p0q s PHE 44 Ca 0.73 -0.48 -0.18 0.00 -0.05 0.00 0.00 56.93 56.95 2p0q s PHE 44 Cb -0.30 0.13 -0.09 0.00 -0.63 0.00 0.00 43.02 42.13 2p0q s PHE 44 CO 0.34 -0.77 0.78 1.41 -0.05 0.00 0.00 175.22 176.94 2p0q s MET 45 N -3.90 4.16 0.21 1.99 -2.45 -1.26 -0.17 119.30 117.87 2p0q s MET 45 Ca 0.11 0.85 -0.15 0.00 -1.25 0.00 0.00 55.69 55.26 2p0q s MET 45 Cb 0.02 -2.56 0.01 0.00 1.25 0.00 0.00 34.83 33.55 2p0q s MET 45 CO -0.04 0.21 0.47 0.20 1.05 0.00 0.00 175.02 176.91 2p0q s GLY 46 N -2.02 0.20 -0.22 2.11 0.00 0.10 -0.67 107.32 106.82 2p0q s GLY 46 Ca 0.52 -0.55 -0.12 0.00 0.00 0.00 0.00 44.72 44.57 2p0q s GLY 46 CO 0.18 -0.48 0.21 1.25 0.00 0.00 0.00 173.10 174.27 2p0q s LYS 47 N -3.93 4.12 -0.54 2.90 2.47 0.33 -1.10 119.74 123.98 2p0q s LYS 47 Ca 0.14 -0.14 -0.26 0.00 -1.56 0.00 0.00 55.97 54.15 2p0q s LYS 47 Cb -0.00 -3.51 0.03 0.00 -1.46 0.00 0.00 37.83 32.89 2p0q s LYS 47 CO 0.01 0.09 1.06 -0.46 0.16 0.00 0.00 175.35 176.21 2p0q s TRP 48 N 0.96 2.74 -1.04 4.03 -0.11 0.43 -1.16 118.94 124.79 2p0q s TRP 48 Ca 0.10 0.27 -0.02 0.00 1.22 0.00 0.00 56.10 57.68 2p0q s TRP 48 Cb -0.13 -4.27 0.32 0.00 -1.50 0.00 0.00 33.47 27.89 2p0q s TRP 48 CO 0.04 -1.40 1.66 1.63 -4.62 0.00 0.00 176.95 174.26 2p0q n LYS 49 N 7.85 5.00 -1.65 5.86 5.02 0.89 -1.25 118.16 139.88 2p0q n LYS 49 Ca 0.06 -4.63 -0.43 0.00 -2.02 0.00 0.00 58.31 51.29 2p0q n LYS 49 Cb 0.48 -2.48 -0.03 0.00 -0.02 0.00 0.00 35.03 32.98 2p0q n LYS 49 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2p0q s LYS 50 N -3.69 3.54 -0.09 1.97 2.20 0.28 -4.65 119.74 119.30 2p0q s LYS 50 Ca 0.36 2.25 -0.30 0.00 -0.36 0.00 0.00 55.97 57.92 2p0q s LYS 50 Cb 0.13 -4.28 -0.01 0.00 -1.51 0.00 0.00 37.83 32.16 2p0q s LYS 50 CO -0.03 -1.64 1.00 -1.59 -0.36 0.00 0.00 175.35 172.73 2p0q s LYS 51 N 5.57 4.45 0.00 4.03 -2.85 -1.26 -0.71 119.74 128.96 2p0q s LYS 51 Ca 0.95 1.40 0.00 0.00 -1.00 0.00 0.00 55.97 57.32 2p0q s LYS 51 Cb -0.37 -3.53 0.00 0.00 -2.06 0.00 0.00 37.83 31.88 2p0q s LYS 51 CO 0.38 -0.27 0.00 -1.13 0.10 0.00 0.00 175.35 174.42 2p0q n SER 52 N 4.82 0.00 -4.67 0.03 3.41 -0.18 -4.90 113.62 112.13 2p0q n SER 52 Ca 0.08 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.27 2p0q n SER 52 Cb 0.49 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 2p0q n SER 52 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2p0q s ARG 53 N -0.29 4.14 0.00 4.33 3.52 -0.74 -3.94 118.95 125.97 2p0q s ARG 53 Ca 0.00 2.60 0.00 0.00 -0.13 0.00 0.00 55.73 58.20 2p0q s ARG 53 Cb 0.00 -4.02 0.00 0.00 -1.56 0.00 0.00 34.95 29.37 2p0q s ARG 53 CO 0.00 -0.93 0.00 1.17 -0.81 0.00 0.00 175.30 174.73 2p0q n LYS 54 N 7.06 0.00 -0.19 5.12 4.81 -1.26 -0.54 118.16 133.16 2p0q n LYS 54 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 2p0q n LYS 54 Cb 0.40 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.45 2p0q n LYS 54 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2p0q n THR 55 N 0.00 0.96 -3.10 3.15 -2.24 -1.26 -4.66 114.28 107.13 2p0q n THR 55 Ca 0.00 -0.19 -0.21 0.00 -2.27 0.00 0.00 64.05 61.38 2p0q n THR 55 Cb 0.00 -1.13 0.01 0.00 -2.10 0.00 0.00 70.33 67.11 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 1.40 -4.38 -4.79 3.42 7.64 -0.98 -4.95 113.62 110.98 2p0q n SER 56 Ca 0.00 -0.26 -0.33 0.00 1.01 0.00 0.00 58.87 59.29 2p0q n SER 56 Cb 0.28 -3.61 0.01 0.00 -1.01 0.00 0.00 64.21 59.89 2p0q n SER 56 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2p0q s THR 57 N -2.94 3.59 0.37 0.44 2.01 0.30 -3.94 115.64 115.47 2p0q s THR 57 Ca 0.30 0.81 -0.26 0.00 0.31 0.00 0.00 61.69 62.85 2p0q s THR 57 Cb -0.15 -3.31 -0.09 0.00 0.01 0.00 0.00 72.50 68.96 2p0q s THR 57 CO 0.37 -0.39 1.12 -0.63 -0.69 0.00 0.00 174.62 174.40 2p0q s ILE 58 N -2.28 3.37 0.10 1.82 -1.09 -1.26 -1.01 121.20 120.85 2p0q s ILE 58 Ca 0.66 1.17 0.05 0.00 -2.23 0.00 0.00 60.65 60.30 2p0q s ILE 58 Cb -0.18 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 2p0q s ILE 58 CO 0.35 0.13 -0.13 -1.61 -1.23 0.00 0.00 174.94 172.44 2p0q s GLU 59 N -2.16 0.91 -0.02 2.79 0.41 0.11 -4.86 118.70 115.87 2p0q s GLU 59 Ca 0.54 -1.14 0.06 0.00 -0.41 0.00 0.00 54.97 54.02 2p0q s GLU 59 Cb -0.29 -0.76 -0.01 0.00 -1.78 0.00 0.00 34.13 31.29 2p0q s GLU 59 CO 0.36 0.14 -0.20 -1.21 -0.49 0.00 0.00 175.26 173.87 2p0q s GLU 60 N -2.49 1.72 -0.00 1.61 2.02 -1.26 -0.55 118.70 119.74 2p0q s GLU 60 Ca 0.05 -0.71 -0.02 0.00 0.02 0.00 0.00 54.97 54.31 2p0q s GLU 60 Cb -0.05 -1.61 -0.00 0.00 0.10 0.00 0.00 34.13 32.56 2p0q s GLU 60 CO 0.02 0.39 0.04 0.21 0.02 0.00 0.00 175.26 175.94 2p0q s LYS 61 N -0.36 0.22 -0.20 1.61 2.20 -0.38 -5.00 119.74 117.83 2p0q s LYS 61 Ca 0.05 -0.23 -0.08 0.00 -0.36 0.00 0.00 55.97 55.34 2p0q s LYS 61 Cb -0.09 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.27 2p0q s LYS 61 CO 0.00 -0.04 0.09 0.99 -0.36 0.00 0.00 175.35 176.03 2p0q s THR 62 N -0.70 5.00 0.05 3.43 2.01 -1.26 -0.43 115.64 123.74 2p0q s THR 62 Ca -0.08 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.95 2p0q s THR 62 Cb -0.05 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 2p0q s THR 62 CO -0.00 0.44 0.00 0.68 -0.69 0.00 0.00 174.62 175.05 2p0q s VAL 63 N 0.49 0.19 -0.24 3.82 -7.23 -0.26 -2.91 120.40 114.27 2p0q s VAL 63 Ca 0.05 -1.59 -0.08 0.00 -1.81 0.00 0.00 61.98 58.55 2p0q s VAL 63 Cb -0.12 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 2p0q s VAL 63 CO 0.00 -0.88 0.09 -0.70 -0.31 0.00 0.00 175.10 173.31 2p0q s GLU 64 N -3.53 3.81 0.16 4.82 2.12 -0.08 -0.72 118.70 125.28 2p0q s GLU 64 Ca 0.03 -0.40 -0.28 0.00 0.36 0.00 0.00 54.97 54.67 2p0q s GLU 64 Cb 0.05 -3.36 -0.07 0.00 0.26 0.00 0.00 34.13 31.01 2p0q s GLU 64 CO -0.09 -0.05 0.89 0.14 -0.54 0.00 0.00 175.26 175.61 2p0q s VAL 65 N 1.27 4.35 -0.13 3.70 -7.23 0.76 -0.44 120.40 122.68 2p0q s VAL 65 Ca 0.05 1.94 0.18 0.00 -1.81 0.00 0.00 61.98 62.35 2p0q s VAL 65 Cb -0.14 -4.26 -0.23 0.00 0.56 0.00 0.00 36.38 32.30 2p0q s VAL 65 CO 0.04 0.43 0.42 0.18 -0.31 0.00 0.00 175.10 175.86 2p0q n LEU 66 N 2.08 0.32 0.00 1.32 7.99 0.17 -2.24 117.00 126.65 2p0q n LEU 66 Ca -0.02 0.15 0.00 0.00 -0.01 0.00 0.00 56.01 56.13 2p0q n LEU 66 Cb 0.48 0.25 0.00 0.00 -0.11 0.00 0.00 43.42 44.04 2p0q n LEU 66 CO 0.49 0.29 0.00 0.61 -1.51 0.00 0.00 177.39 177.27 2p0q n GLY 67 N 1.53 -0.22 3.75 -0.72 0.00 -1.24 -4.15 105.19 104.14 2p0q n GLY 67 Ca -0.19 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 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 2.99 0.98 1.61 -1.94 -1.26 -0.65 119.30 119.02 2p0q s MET 68 Ca 0.00 2.03 -0.12 0.00 -1.71 0.00 0.00 55.69 55.90 2p0q s MET 68 Cb 0.00 -2.07 0.18 0.00 2.01 0.00 0.00 34.83 34.95 2p0q s MET 68 CO 0.00 -1.25 1.09 0.00 -0.01 0.00 0.00 175.02 174.85 2p0q s ALA 69 N -1.43 0.94 0.73 3.03 0.00 -0.32 -4.48 121.76 120.22 2p0q s ALA 69 Ca 0.75 0.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.62 2p0q s ALA 69 Cb -0.36 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.53 2p0q s ALA 69 CO 0.40 -2.88 1.25 -1.25 0.00 0.00 0.00 175.76 173.28 2p0q s PRO 70 N -4.73 2.08 0.55 0.00 0.04 -1.26 -4.86 135.00 126.81 2p0q s PRO 70 Ca 0.66 1.92 0.23 0.00 0.04 0.00 0.00 61.00 63.84 2p0q s PRO 70 Cb -0.21 -1.81 1.46 0.00 0.04 0.00 0.00 34.50 33.99 2p0q s PRO 70 CO 0.59 -1.92 2.13 0.38 0.04 0.00 0.00 177.00 178.22 2p0q h ASP 71 N -0.18 0.00 0.17 6.66 2.03 -1.96 -1.36 116.42 121.79 2p0q h ASP 71 Ca -0.49 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.78 2p0q h ASP 71 Cb 1.32 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.81 2p0q h ASP 71 CO 0.50 0.00 -0.15 -0.78 -1.03 0.00 0.00 179.24 177.78 2p0q h ASP 72 N 0.00 0.00 0.86 4.15 3.58 -2.02 -1.22 116.42 121.77 2p0q h ASP 72 Ca 0.07 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.29 2p0q h ASP 72 Cb 0.31 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 2p0q h ASP 72 CO -0.00 0.15 -1.13 -0.33 -2.88 0.00 0.00 179.24 175.05 2p0q h GLU 73 N 0.00 0.07 -0.95 0.28 4.39 -1.60 -3.37 114.58 113.40 2p0q h GLU 73 Ca -0.00 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 2p0q h GLU 73 Cb 0.27 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2p0q h GLU 73 CO 0.02 1.02 0.04 0.00 -1.16 0.00 0.00 179.01 178.93 2p0q h LEU 75 N 0.79 0.00 0.00 0.00 -0.00 -1.72 -3.39 115.31 110.99 2p0q h LEU 75 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2p0q h LEU 75 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.61 2p0q h LEU 75 CO 0.12 0.13 -0.17 0.29 -0.00 0.00 0.00 178.44 178.81 2p0q n LYS 76 N -3.18 3.77 -3.75 1.13 5.02 -1.26 -4.79 118.16 115.10 2p0q n LYS 76 Ca 0.02 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 2p0q n LYS 76 Cb 0.49 -0.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.99 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 -0.40 -0.27 0.10 4.39 -1.08 -1.26 -5.13 116.67 113.01 2p0q s ASP 77 Ca 0.00 -0.50 -0.13 0.00 -0.52 0.00 0.00 52.55 51.40 2p0q s ASP 77 Cb 0.00 0.61 -0.06 0.00 -1.46 0.00 0.00 42.92 42.00 2p0q s ASP 77 CO 0.00 -1.10 0.47 -0.04 0.52 0.00 0.00 175.17 175.02 2p0q s MET 78 N -3.88 3.89 0.04 4.34 -1.94 -1.26 -4.27 119.30 116.21 2p0q s MET 78 Ca 0.10 0.36 -0.01 0.00 -1.71 0.00 0.00 55.69 54.42 2p0q s MET 78 Cb -0.02 -3.00 -0.03 0.00 2.01 0.00 0.00 34.83 33.79 2p0q s MET 78 CO -0.01 0.54 -0.01 0.71 -0.01 0.00 0.00 175.02 176.24 2p0q s TYR 79 N -1.38 0.40 0.00 -0.03 1.51 -1.26 -0.53 117.35 116.07 2p0q s TYR 79 Ca 0.34 -0.84 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 2p0q s TYR 79 Cb -0.15 -0.30 -0.00 0.00 -0.11 0.00 0.00 41.96 41.40 2p0q s TYR 79 CO 0.18 -0.32 -0.01 0.14 -1.11 0.00 0.00 175.55 174.43 2p0q s VAL 80 N -3.02 0.05 0.13 0.71 -7.23 -0.04 -1.18 120.40 109.82 2p0q s VAL 80 Ca -0.01 -0.13 -0.30 0.00 -1.81 0.00 0.00 61.98 59.72 2p0q s VAL 80 Cb 0.01 -0.07 -0.06 0.00 0.56 0.00 0.00 36.38 36.82 2p0q s VAL 80 CO -0.07 -0.05 1.03 -1.61 -0.31 0.00 0.00 175.10 174.09 2p0q s GLU 81 N -0.19 4.64 0.01 4.82 2.02 0.17 -0.86 118.70 129.32 2p0q s GLU 81 Ca -0.02 1.57 -0.02 0.00 0.02 0.00 0.00 54.97 56.52 2p0q s GLU 81 Cb -0.01 -3.34 -0.01 0.00 0.10 0.00 0.00 34.13 30.86 2p0q s GLU 81 CO -0.00 0.12 0.02 0.14 0.02 0.00 0.00 175.26 175.56 2p0q s VAL 82 N 0.03 0.10 -0.04 2.63 -7.23 0.11 -0.65 120.40 115.34 2p0q s VAL 82 Ca 0.49 -0.84 0.05 0.00 -1.81 0.00 0.00 61.98 59.86 2p0q s VAL 82 Cb -0.26 -0.32 -0.01 0.00 0.56 0.00 0.00 36.38 36.36 2p0q s VAL 82 CO 0.32 -0.46 -0.19 0.00 -0.31 0.00 0.00 175.10 174.45 2p0q s ALA 83 N -1.44 1.66 -1.00 1.32 0.00 0.41 -0.32 121.76 122.38 2p0q s ALA 83 Ca -0.16 -0.77 -0.23 0.00 0.00 0.00 0.00 51.96 50.81 2p0q s ALA 83 Cb -0.09 -0.53 0.06 0.00 0.00 0.00 0.00 23.12 22.56 2p0q s ALA 83 CO -0.00 0.31 1.40 0.34 0.00 0.00 0.00 175.76 177.81 2p0q s ASP 84 N -0.04 6.51 0.02 0.00 2.15 -1.26 -0.90 116.67 123.15 2p0q s ASP 84 Ca -0.03 -1.51 -0.38 0.00 0.43 0.00 0.00 52.55 51.07 2p0q s ASP 84 Cb -0.12 -2.55 -0.17 0.00 -0.30 0.00 0.00 42.92 39.79 2p0q s ASP 84 CO 0.02 -1.46 1.39 -0.38 -0.17 0.00 0.00 175.17 174.58 2p0q n ILE 85 N 6.70 0.05 -1.10 4.11 5.41 -1.15 -0.71 119.36 132.68 2p0q n ILE 85 Ca 0.31 -0.01 -0.03 0.00 1.00 0.00 0.00 62.75 64.02 2p0q n ILE 85 Cb 0.51 -0.83 -0.01 0.00 -0.71 0.00 0.00 39.64 38.59 2p0q n ILE 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2p0q n GLY 86 N 2.74 0.52 0.00 7.39 0.00 -1.26 -4.80 105.19 109.78 2p0q n GLY 86 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.91 0.63 0.24 -0.02 0.00 -1.03 -4.89 105.19 99.20 2p0q n GLY 87 Ca -0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 0.80 0.00 1.61 1.79 -1.85 -3.46 116.57 115.46 2p0q h LYS 88 Ca 0.00 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 2p0q h LYS 88 Cb 0.00 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 2p0q h LYS 88 CO 0.00 0.69 0.00 -3.47 -1.08 0.00 0.00 179.45 175.59 2p0q n ASP 89 N -4.53 0.00 -0.41 0.86 2.03 0.12 -4.17 116.55 110.44 2p0q n ASP 89 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2p0q n ASP 89 Cb 0.15 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 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 0.00 0.00 -4.06 1.67 2.03 -1.26 -4.84 116.55 110.09 2p0q n ASP 90 Ca 0.00 -1.80 -0.08 0.00 0.52 0.00 0.00 54.79 53.42 2p0q n ASP 90 Cb 0.00 -0.16 -0.09 0.00 -0.72 0.00 0.00 41.12 40.15 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 -0.80 0.35 0.09 1.67 2.15 -1.26 -5.16 116.67 113.70 2p0q s ASP 91 Ca 0.00 -0.99 0.04 0.00 0.43 0.00 0.00 52.55 52.03 2p0q s ASP 91 Cb 0.00 0.27 -0.03 0.00 -0.30 0.00 0.00 42.92 42.85 2p0q s ASP 91 CO 0.00 -0.68 -0.12 0.54 -0.17 0.00 0.00 175.17 174.75 2p0q s VAL 92 N -3.95 1.01 0.09 1.11 0.11 -1.26 -4.16 120.40 113.36 2p0q s VAL 92 Ca 0.12 -1.51 0.02 0.00 -2.93 0.00 0.00 61.98 57.68 2p0q s VAL 92 Cb 0.07 -1.24 -0.01 0.00 -1.53 0.00 0.00 36.38 33.67 2p0q s VAL 92 CO -0.06 -0.43 0.09 -1.22 -3.33 0.00 0.00 175.10 170.15 2p0q n TYR 93 N 0.83 -0.31 -4.59 1.54 4.02 0.56 -4.97 117.16 114.23 2p0q n TYR 93 Ca -0.18 -0.76 -0.22 0.00 -0.01 0.00 0.00 57.90 56.73 2p0q n TYR 93 Cb 0.56 0.10 -0.15 0.00 -0.02 0.00 0.00 39.34 39.83 2p0q n TYR 93 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2p0q s THR 94 N -2.41 1.08 0.11 -0.72 2.01 -1.26 -0.71 115.64 113.73 2p0q s THR 94 Ca 0.11 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.54 2p0q s THR 94 Cb 0.00 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 2p0q s THR 94 CO 0.08 0.27 -0.15 0.00 -0.69 0.00 0.00 174.62 174.12 2p0q s ALA 95 N -0.38 1.46 0.25 7.40 0.00 -0.04 -4.92 121.76 125.55 2p0q s ALA 95 Ca 0.05 -1.21 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 2p0q s ALA 95 Cb -0.06 -0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.87 2p0q s ALA 95 CO -0.00 0.16 1.18 0.15 0.00 0.00 0.00 175.76 177.25 2p0q s LYS 96 N -2.32 4.52 0.51 0.00 1.02 -1.26 -0.86 119.74 121.35 2p0q s LYS 96 Ca 0.06 1.92 0.22 0.00 0.02 0.00 0.00 55.97 58.19 2p0q s LYS 96 Cb -0.07 -3.18 1.34 0.00 -0.52 0.00 0.00 37.83 35.40 2p0q s LYS 96 CO 0.03 0.01 2.08 1.25 -0.92 0.00 0.00 175.35 177.80 2p0q h LEU 97 N 4.28 0.00 0.00 3.17 5.85 -1.11 -1.04 115.31 126.45 2p0q h LEU 97 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 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 0.70 0.11 0.00 -1.20 -0.34 0.00 0.00 178.44 177.71 2p0q n SER 98 N -4.00 0.00 -0.03 1.25 7.64 -1.26 -1.95 113.62 115.27 2p0q n SER 98 Ca -0.02 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2p0q n SER 98 Cb 0.20 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.08 0.66 -4.54 6.43 8.00 -0.41 -4.96 116.55 120.65 2p0q n ASP 99 Ca 0.04 -1.41 -0.30 0.00 0.71 0.00 0.00 54.79 53.84 2p0q n ASP 99 Cb 0.03 -0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.00 2p0q n ASP 99 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2p0q s ILE 100 N -0.37 3.20 -0.14 0.53 -1.09 -0.83 -0.08 121.20 122.42 2p0q s ILE 100 Ca 0.01 -1.25 -0.02 0.00 -2.23 0.00 0.00 60.65 57.15 2p0q s ILE 100 Cb 0.01 -2.46 0.04 0.00 -1.58 0.00 0.00 42.46 38.47 2p0q s ILE 100 CO 0.00 0.17 0.01 -0.70 -1.23 0.00 0.00 174.94 173.20 2p0q s GLU 101 N -1.99 0.71 0.61 2.79 2.12 -0.31 -4.92 118.70 117.71 2p0q s GLU 101 Ca 0.19 -0.20 -0.16 0.00 0.36 0.00 0.00 54.97 55.16 2p0q s GLU 101 Cb -0.11 -1.61 -0.03 0.00 0.26 0.00 0.00 34.13 32.64 2p0q s GLU 101 CO 0.11 -0.47 1.08 0.00 -0.54 0.00 0.00 175.26 175.44 2p0q s ALA 102 N 1.89 2.64 -0.07 6.30 0.00 -1.26 -0.51 121.76 130.74 2p0q s ALA 102 Ca 0.02 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.52 2p0q s ALA 102 Cb -0.15 -3.28 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 2p0q s ALA 102 CO -0.07 -0.96 -0.22 0.42 0.00 0.00 0.00 175.76 174.92 2p0q s ILE 103 N -2.33 1.88 -1.52 0.00 1.01 0.15 -4.80 121.20 115.58 2p0q s ILE 103 Ca 0.66 -0.95 -0.14 0.00 0.00 0.00 0.00 60.65 60.22 2p0q s ILE 103 Cb -0.18 -1.62 0.10 0.00 0.01 0.00 0.00 42.46 40.77 2p0q s ILE 103 CO 0.37 0.52 0.81 -0.67 0.00 0.00 0.00 174.94 175.98 2p0q n ASP 104 N 3.26 -4.26 -4.72 3.58 2.03 -1.26 -4.22 116.55 110.95 2p0q n ASP 104 Ca -0.19 -0.73 -0.24 0.00 0.52 0.00 0.00 54.79 54.15 2p0q n ASP 104 Cb 0.52 -3.45 0.10 0.00 -0.72 0.00 0.00 41.12 37.57 2p0q n ASP 104 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2p0q s VAL 105 N -3.20 2.25 0.87 5.18 -7.23 -1.26 -4.99 120.40 112.02 2p0q s VAL 105 Ca 0.62 -0.45 -0.11 0.00 -1.81 0.00 0.00 61.98 60.22 2p0q s VAL 105 Cb -0.32 -2.80 0.11 0.00 0.56 0.00 0.00 36.38 33.94 2p0q s VAL 105 CO 0.76 0.00 1.10 -0.62 -0.31 0.00 0.00 175.10 176.02 2p0q s ASP 106 N -4.65 3.62 0.26 4.85 2.15 -1.26 -4.86 116.67 116.78 2p0q s ASP 106 Ca 0.64 1.72 -0.04 0.00 0.43 0.00 0.00 52.55 55.30 2p0q s ASP 106 Cb -0.07 -2.37 0.31 0.00 -0.30 0.00 0.00 42.92 40.49 2p0q s ASP 106 CO 0.44 -2.58 1.87 -0.78 -0.17 0.00 0.00 175.17 173.95 2p0q h ASP 107 N -1.51 1.00 0.54 -0.34 3.58 -1.98 -1.00 116.42 116.71 2p0q h ASP 107 Ca -0.47 -0.10 -0.14 0.00 0.42 0.00 0.00 57.03 56.74 2p0q h ASP 107 Cb 1.26 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 2p0q h ASP 107 CO 0.51 0.83 -0.63 -0.78 -2.88 0.00 0.00 179.24 176.28 2p0q h ASP 108 N 1.10 0.10 -0.13 2.28 3.58 -1.93 0.93 116.42 122.36 2p0q h ASP 108 Ca 0.27 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.61 2p0q h ASP 108 Cb 0.08 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 2p0q h ASP 108 CO -0.04 0.71 -0.10 0.74 -2.88 0.00 0.00 179.24 177.67 2p0q h THR 109 N 0.06 1.34 -0.53 2.25 2.02 -1.71 -2.02 112.91 114.33 2p0q h THR 109 Ca -0.01 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.96 2p0q h THR 109 Cb 1.13 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 69.38 2p0q h THR 109 CO 0.09 0.35 0.34 -0.61 0.37 0.00 0.00 175.52 176.06 2p0q h GLN 110 N -0.08 0.70 -0.68 6.66 -0.00 -0.86 -1.85 115.11 119.00 2p0q h GLN 110 Ca 0.02 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.60 2p0q h GLN 110 Cb 0.60 -0.15 -0.03 0.00 0.00 0.00 0.00 27.48 27.90 2p0q h GLN 110 CO 0.03 0.48 0.32 0.93 0.00 0.00 0.00 178.83 180.59 2p0q h GLU 111 N 0.71 0.99 -0.76 1.69 4.39 -0.83 0.10 114.58 120.88 2p0q h GLU 111 Ca 0.19 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2p0q h GLU 111 Cb -0.06 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.38 2p0q h GLU 111 CO -0.04 0.79 0.47 0.00 -1.16 0.00 0.00 179.01 179.06 2p0q h ALA 112 N 1.15 0.96 0.16 3.43 0.00 -0.97 0.95 119.26 124.95 2p0q h ALA 112 Ca 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2p0q h ALA 112 Cb 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2p0q h ALA 112 CO -0.03 0.42 -0.08 0.82 0.00 0.00 0.00 179.25 180.39 2p0q h ILE 113 N 1.03 0.97 -0.61 0.00 2.04 -0.92 -1.96 117.51 118.06 2p0q h ILE 113 Ca 0.27 -0.69 0.06 0.00 1.00 0.00 0.00 64.86 65.50 2p0q h ILE 113 Cb -0.05 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2p0q h ILE 113 CO -0.05 0.16 0.32 0.00 0.00 0.00 0.00 178.15 178.57 2p0q h ALA 114 N 0.21 0.80 -0.48 1.87 0.00 -0.65 0.41 119.26 121.42 2p0q h ALA 114 Ca -0.02 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2p0q h ALA 114 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2p0q h ALA 114 CO 0.04 -0.03 0.04 0.22 0.00 0.00 0.00 179.25 179.52 2p0q h ASP 115 N 0.59 0.73 -0.41 0.00 3.58 -0.80 0.92 116.42 121.03 2p0q h ASP 115 Ca 0.27 -0.16 -0.13 0.00 0.42 0.00 0.00 57.03 57.44 2p0q h ASP 115 Cb 0.19 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2p0q h ASP 115 CO -0.19 0.78 -0.24 -0.25 -2.88 0.00 0.00 179.24 176.46 2p0q h TRP 116 N 0.73 1.04 -0.03 0.28 2.91 -0.76 -1.81 115.95 118.31 2p0q h TRP 116 Ca 0.15 -0.27 -0.07 0.00 1.13 0.00 0.00 58.89 59.83 2p0q h TRP 116 Cb 0.39 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.79 2p0q h TRP 116 CO 0.02 1.06 -0.33 -0.07 -1.03 0.00 0.00 178.44 178.10 2p0q h LEU 117 N 0.71 0.06 0.23 0.65 3.38 -0.26 0.56 115.31 120.65 2p0q h LEU 117 Ca 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2p0q h LEU 117 Cb 0.81 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2p0q h LEU 117 CO 0.07 0.39 -0.11 1.88 0.09 0.00 0.00 178.44 180.76 2p0q h TYR 118 N 0.06 -0.29 -0.85 1.13 0.05 -0.71 -1.23 116.97 115.13 2p0q h TYR 118 Ca 0.01 -0.01 0.14 0.00 0.05 0.00 0.00 58.73 58.92 2p0q h TYR 118 Cb 0.61 0.09 -0.09 0.00 1.01 0.00 0.00 36.73 38.35 2p0q h TYR 118 CO 0.00 -0.02 0.44 2.35 -1.05 0.00 0.00 178.16 179.88 2p0q h TRP 119 N -0.53 0.77 0.20 4.88 2.91 -0.80 0.15 115.95 123.53 2p0q h TRP 119 Ca -0.03 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 2p0q h TRP 119 Cb 0.39 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 28.82 2p0q h TRP 119 CO -0.00 0.20 -0.16 1.25 -1.03 0.00 0.00 178.44 178.70 2p0q h LEU 120 N 0.64 -0.41 -1.85 0.65 5.85 -0.85 -1.84 115.31 117.50 2p0q h LEU 120 Ca 0.46 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.18 2p0q h LEU 120 Cb 0.62 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 2p0q h LEU 120 CO -0.35 -0.25 -0.14 0.00 -0.34 0.00 0.00 178.44 177.36 2p0q h ALA 121 N 0.41 1.37 0.00 1.25 0.00 0.08 -1.50 119.26 120.87 2p0q h ALA 121 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2p0q h ALA 121 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2p0q h ALA 121 CO -0.02 0.17 0.00 0.54 0.00 0.00 0.00 179.25 179.94 2p0q n ARG 122 N -3.79 0.11 -2.45 0.00 1.74 0.41 -4.90 116.66 107.79 2p0q n ARG 122 Ca -0.02 0.29 -0.03 0.00 -0.77 0.00 0.00 57.85 57.32 2p0q n ARG 122 Cb 0.24 -1.69 0.01 0.00 -1.02 0.00 0.00 32.46 30.00 2p0q n ARG 122 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2p0q n GLY 123 N 0.31 0.61 1.47 -0.13 0.00 -0.56 -4.95 105.19 101.93 2p0q n GLY 123 Ca 0.04 -0.63 0.20 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.20 -3.64 0.00 1.61 4.02 -0.72 -4.98 117.16 110.25 2p0q n TYR 124 Ca -0.01 1.79 0.00 0.00 -0.01 0.00 0.00 57.90 59.67 2p0q n TYR 124 Cb 0.51 -3.31 0.00 0.00 -0.02 0.00 0.00 39.34 36.52 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 -4.23 0.00 0.00 -0.72 5.02 -1.26 -5.05 118.16 111.91 2p0q n LYS 125 Ca 0.01 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.37 2p0q n LYS 125 Cb 0.66 -0.57 0.39 0.00 -0.02 0.00 0.00 35.03 35.49 2p0q n LYS 125 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85