#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ery s MET 11 N 0.00 4.33 0.09 -1.46 -2.45 -1.26 -5.18 119.30 113.38 2ery s MET 11 Ca 0.00 2.18 0.08 0.00 -1.25 0.00 0.00 55.69 56.70 2ery s MET 11 Cb 0.00 -3.15 -0.03 0.00 1.25 0.00 0.00 34.83 32.90 2ery s MET 11 CO 0.00 -0.32 -0.21 1.14 1.05 0.00 0.00 175.02 176.68 2ery s GLN 12 N -0.36 1.19 -0.06 4.11 1.03 -1.26 -5.10 119.66 119.20 2ery s GLN 12 Ca 0.57 -1.13 -0.30 0.00 0.04 0.00 0.00 55.36 54.55 2ery s GLN 12 Cb -0.39 -1.44 -0.05 0.00 0.03 0.00 0.00 33.01 31.16 2ery s GLN 12 CO 0.42 0.34 1.66 -2.00 -2.54 0.00 0.00 175.29 173.17 2ery s GLU 13 N -1.77 4.15 -0.00 9.60 2.12 -1.26 -4.99 118.70 126.54 2ery s GLU 13 Ca 0.07 2.16 -0.00 0.00 0.36 0.00 0.00 54.97 57.56 2ery s GLU 13 Cb -0.10 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.30 2ery s GLU 13 CO 0.04 -0.89 0.01 0.21 -0.54 0.00 0.00 175.26 174.08 2ery s LYS 14 N 4.11 -0.00 -0.08 4.30 2.20 -1.26 -1.28 119.74 127.73 2ery s LYS 14 Ca 0.74 0.03 0.01 0.00 -0.36 0.00 0.00 55.97 56.39 2ery s LYS 14 Cb -0.33 -0.03 0.02 0.00 -1.51 0.00 0.00 37.83 35.98 2ery s LYS 14 CO 0.30 -0.02 -0.09 0.71 -0.36 0.00 0.00 175.35 175.88 2ery s TYR 15 N 0.15 1.35 -0.55 4.03 2.02 -0.05 -4.96 117.35 119.34 2ery s TYR 15 Ca -0.01 -0.55 -0.22 0.00 -0.37 0.00 0.00 57.07 55.92 2ery s TYR 15 Cb -0.02 -1.06 0.05 0.00 -0.40 0.00 0.00 41.96 40.53 2ery s TYR 15 CO -0.00 -0.34 0.84 1.03 -1.57 0.00 0.00 175.55 175.50 2ery s ARG 16 N 1.07 3.24 -0.04 -0.62 1.81 -1.26 -0.43 118.95 122.72 2ery s ARG 16 Ca -0.07 -0.55 -0.01 0.00 -1.72 0.00 0.00 55.73 53.38 2ery s ARG 16 Cb -0.14 -4.09 -0.04 0.00 -0.45 0.00 0.00 34.95 30.23 2ery s ARG 16 CO -0.01 -1.43 0.04 -0.51 -0.68 0.00 0.00 175.30 172.71 2ery s LEU 17 N 3.50 3.73 -0.07 2.53 1.43 0.92 -0.27 118.68 130.45 2ery s LEU 17 Ca 0.24 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 2ery s LEU 17 Cb -0.15 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.04 2ery s LEU 17 CO 0.16 0.32 -0.11 -0.69 0.23 0.00 0.00 176.35 176.25 2ery s VAL 18 N -1.05 1.11 -0.29 -1.59 1.01 -0.53 -0.87 120.40 118.19 2ery s VAL 18 Ca 0.18 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 2ery s VAL 18 Cb -0.12 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 2ery s VAL 18 CO 0.08 0.36 0.15 -0.69 0.00 0.00 0.00 175.10 175.00 2ery s VAL 19 N 0.85 4.82 0.23 2.92 1.01 -0.36 -1.45 120.40 128.43 2ery s VAL 19 Ca -0.11 -0.16 0.10 0.00 0.00 0.00 0.00 61.98 61.81 2ery s VAL 19 Cb -0.15 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 2ery s VAL 19 CO 0.01 0.18 -0.18 0.68 0.00 0.00 0.00 175.10 175.79 2ery s VAL 20 N 1.67 2.09 0.00 2.92 -7.23 -0.30 -2.57 120.40 116.99 2ery s VAL 20 Ca 0.06 -2.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.00 2ery s VAL 20 Cb -0.16 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.66 2ery s VAL 20 CO 0.08 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 2ery n GLY 21 N -0.31 1.18 3.38 2.32 0.00 -1.26 -1.00 105.19 109.50 2ery n GLY 21 Ca -0.08 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 2ery n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ery n GLY 22 N -1.38 -2.11 2.04 -0.02 0.00 -1.26 -4.92 105.19 97.54 2ery n GLY 22 Ca 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 2ery n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ery n GLY 23 N 1.57 0.18 2.25 -0.02 0.00 -1.26 -3.03 105.19 104.88 2ery n GLY 23 Ca 0.04 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 2ery n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ery n GLY 24 N -1.06 0.79 0.23 -0.02 0.00 -1.26 -4.91 105.19 98.95 2ery n GLY 24 Ca -0.09 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.50 2ery n GLY 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2ery h VAL 25 N 0.00 0.07 0.00 1.61 -1.51 -1.91 -3.47 116.25 111.04 2ery h VAL 25 Ca -0.21 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.31 2ery h VAL 25 Cb 0.79 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 2ery h VAL 25 CO 0.28 0.04 0.00 0.61 -1.23 0.00 0.00 177.57 177.27 2ery n GLY 26 N 0.79 1.66 0.11 5.19 0.00 -1.26 -4.43 105.19 107.26 2ery n GLY 26 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 2ery n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ery h LYS 27 N 0.24 0.03 -0.15 1.61 1.57 -1.91 0.27 116.57 118.23 2ery h LYS 27 Ca 0.00 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2ery h LYS 27 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2ery h LYS 27 CO 0.00 0.02 -0.00 0.77 -0.57 0.00 0.00 179.45 179.67 2ery h SER 28 N 0.03 0.26 -0.71 0.86 0.02 -1.95 -2.20 113.55 109.87 2ery h SER 28 Ca 0.11 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 2ery h SER 28 Cb 0.15 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 2ery h SER 28 CO -0.21 0.51 0.46 0.00 -1.14 0.00 0.00 176.83 176.45 2ery h ALA 29 N 0.76 0.91 -0.32 3.77 0.00 -1.81 -0.44 119.26 122.12 2ery h ALA 29 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ery h ALA 29 Cb 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2ery h ALA 29 CO 0.01 0.29 0.16 -0.07 0.00 0.00 0.00 179.25 179.64 2ery h LEU 30 N 0.94 0.42 -0.21 0.00 3.38 -0.96 -1.12 115.31 117.75 2ery h LEU 30 Ca 0.27 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2ery h LEU 30 Cb -0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2ery h LEU 30 CO -0.07 0.42 0.11 0.74 0.09 0.00 0.00 178.44 179.73 2ery h THR 31 N 0.39 1.12 -0.33 0.22 2.02 -1.04 -0.58 112.91 114.71 2ery h THR 31 Ca 0.11 -0.34 -0.12 0.00 0.77 0.00 0.00 66.41 66.83 2ery h THR 31 Cb 0.11 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2ery h THR 31 CO -0.01 0.12 -0.30 0.40 0.37 0.00 0.00 175.52 176.09 2ery h ILE 32 N 0.23 1.28 -0.34 3.11 2.04 -1.09 -1.06 117.51 121.67 2ery h ILE 32 Ca 0.07 -1.43 0.01 0.00 1.00 0.00 0.00 64.86 64.51 2ery h ILE 32 Cb 0.09 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2ery h ILE 32 CO -0.01 0.47 0.22 1.56 0.00 0.00 0.00 178.15 180.38 2ery h GLN 33 N 0.60 0.43 -0.44 2.37 1.08 -1.10 0.22 115.11 118.27 2ery h GLN 33 Ca 0.07 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.28 2ery h GLN 33 Cb 0.81 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 28.10 2ery h GLN 33 CO 0.07 0.28 0.21 0.35 -0.95 0.00 0.00 178.83 178.80 2ery h PHE 34 N 0.44 0.39 0.16 2.96 -0.00 -0.69 0.15 116.94 120.36 2ery h PHE 34 Ca 0.13 0.02 -0.23 0.00 -0.00 0.00 0.00 57.97 57.89 2ery h PHE 34 Cb -0.03 -0.11 0.02 0.00 -0.00 0.00 0.00 35.95 35.83 2ery h PHE 34 CO -0.06 0.20 -1.03 0.82 -0.00 0.00 0.00 178.31 178.24 2ery h ILE 35 N 0.43 1.39 -0.00 1.41 1.08 -1.06 -3.40 117.51 117.36 2ery h ILE 35 Ca 0.19 -2.54 0.00 0.00 -0.39 0.00 0.00 64.86 62.12 2ery h ILE 35 Cb 0.10 3.09 0.00 0.00 -3.07 0.00 0.00 36.82 36.95 2ery h ILE 35 CO -0.14 0.73 -0.07 0.00 -0.69 0.00 0.00 178.15 177.98 2ery n GLN 36 N -4.03 1.56 -3.92 2.37 6.02 0.76 -5.02 117.38 115.13 2ery n GLN 36 Ca -0.16 -0.56 -0.30 0.00 -0.01 0.00 0.00 57.00 55.96 2ery n GLN 36 Cb 0.88 -0.98 0.03 0.00 1.02 0.00 0.00 30.24 31.18 2ery n GLN 36 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2ery n SER 37 N -0.15 -4.69 -4.01 1.08 7.64 0.53 -4.98 113.62 109.05 2ery n SER 37 Ca 0.02 -0.78 -0.17 0.00 1.01 0.00 0.00 58.87 58.95 2ery n SER 37 Cb 0.12 -3.87 -0.14 0.00 -1.01 0.00 0.00 64.21 59.31 2ery n SER 37 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2ery s TYR 38 N -3.31 0.66 -0.34 1.43 5.04 -1.26 -5.00 117.35 114.57 2ery s TYR 38 Ca 0.65 -0.18 -0.14 0.00 -2.44 0.00 0.00 57.07 54.97 2ery s TYR 38 Cb -0.32 -0.42 -0.01 0.00 0.35 0.00 0.00 41.96 41.55 2ery s TYR 38 CO 0.83 -0.02 0.28 0.12 -1.34 0.00 0.00 175.55 175.42 2ery s PHE 39 N -0.34 3.22 -0.10 4.97 5.36 -1.26 -3.21 117.98 126.61 2ery s PHE 39 Ca 0.01 -0.17 -0.19 0.00 -0.96 0.00 0.00 56.93 55.62 2ery s PHE 39 Cb -0.04 -2.53 -0.04 0.00 -0.34 0.00 0.00 43.02 40.07 2ery s PHE 39 CO -0.00 -0.39 0.52 0.14 -1.46 0.00 0.00 175.22 174.03 2ery s VAL 40 N 1.80 5.15 -0.09 3.12 -7.23 -1.26 -4.99 120.40 116.91 2ery s VAL 40 Ca 0.08 1.05 0.21 0.00 -1.81 0.00 0.00 61.98 61.50 2ery s VAL 40 Cb -0.17 -3.86 -0.30 0.00 0.56 0.00 0.00 36.38 32.61 2ery s VAL 40 CO 0.11 0.32 0.40 0.35 -0.31 0.00 0.00 175.10 175.96 2ery n THR 41 N 3.64 0.44 -2.96 5.32 -2.24 -1.26 -4.66 114.28 112.56 2ery n THR 41 Ca -0.06 -0.61 -0.14 0.00 -2.27 0.00 0.00 64.05 60.98 2ery n THR 41 Cb 0.52 -0.16 0.02 0.00 -2.10 0.00 0.00 70.33 68.61 2ery n THR 41 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2ery n ASP 42 N -2.43 -0.35 -4.69 3.42 2.03 -1.26 -5.11 116.55 108.15 2ery n ASP 42 Ca -0.12 -3.20 -0.42 0.00 0.52 0.00 0.00 54.79 51.57 2ery n ASP 42 Cb 0.74 0.35 -0.03 0.00 -0.72 0.00 0.00 41.12 41.46 2ery n ASP 42 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2ery s TYR 43 N -1.42 3.40 -0.47 -0.67 5.04 -1.26 -4.90 117.35 117.07 2ery s TYR 43 Ca 0.32 1.44 -0.42 0.00 -2.44 0.00 0.00 57.07 55.97 2ery s TYR 43 Cb 0.34 -3.29 -0.18 0.00 0.35 0.00 0.00 41.96 39.18 2ery s TYR 43 CO -0.06 -0.69 1.81 -3.47 -1.34 0.00 0.00 175.55 171.80 2ery n ASP 44 N 4.91 0.87 0.23 4.32 4.64 -1.26 -4.79 116.55 125.47 2ery n ASP 44 Ca 0.09 0.82 0.16 0.00 -1.38 0.00 0.00 54.79 54.48 2ery n ASP 44 Cb 0.48 -0.83 0.72 0.00 -1.04 0.00 0.00 41.12 40.44 2ery n ASP 44 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2ery h PRO 45 N 7.00 0.00 0.00 -0.67 0.13 -2.03 -2.92 132.00 133.51 2ery h PRO 45 Ca -0.21 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.84 2ery h PRO 45 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2ery h PRO 45 CO 0.98 0.00 -0.76 1.79 -0.23 0.00 0.00 178.00 179.78 2ery h THR 46 N 0.00 0.42 -2.79 1.56 1.35 -1.95 -3.45 112.91 108.04 2ery h THR 46 Ca 0.00 -1.67 -0.56 0.00 -0.55 0.00 0.00 66.41 63.63 2ery h THR 46 Cb 0.27 2.04 -0.03 0.00 -1.73 0.00 0.00 68.15 68.71 2ery h THR 46 CO 0.00 0.24 1.03 -0.63 -0.25 0.00 0.00 175.52 175.91 2ery s ILE 47 N -3.08 3.88 -0.22 6.82 -1.09 -1.11 -4.78 121.20 121.62 2ery s ILE 47 Ca 0.02 1.04 -0.08 0.00 -2.23 0.00 0.00 60.65 59.40 2ery s ILE 47 Cb 0.08 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 2ery s ILE 47 CO 0.76 -0.18 0.08 -0.70 -1.23 0.00 0.00 174.94 173.67 2ery s GLU 48 N 4.05 3.84 0.19 2.79 2.12 -1.26 -4.55 118.70 125.87 2ery s GLU 48 Ca 0.66 -0.40 -0.08 0.00 0.36 0.00 0.00 54.97 55.51 2ery s GLU 48 Cb -0.26 -3.31 -0.01 0.00 0.26 0.00 0.00 34.13 30.80 2ery s GLU 48 CO 0.24 0.03 0.30 0.34 -0.54 0.00 0.00 175.26 175.63 2ery s ASP 49 N 1.04 0.03 0.04 -1.70 -1.08 -1.11 -5.00 116.67 108.89 2ery s ASP 49 Ca 0.05 -0.97 0.07 0.00 -0.52 0.00 0.00 52.55 51.17 2ery s ASP 49 Cb -0.14 0.46 -0.03 0.00 -1.46 0.00 0.00 42.92 41.74 2ery s ASP 49 CO 0.03 -0.94 -0.16 -0.44 0.52 0.00 0.00 175.17 174.19 2ery s SER 50 N -3.01 3.96 0.13 -0.34 0.01 -1.26 -0.94 113.70 112.25 2ery s SER 50 Ca 0.22 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 57.10 2ery s SER 50 Cb 0.03 -0.69 -0.04 0.00 0.21 0.00 0.00 66.02 65.53 2ery s SER 50 CO 0.04 0.25 0.01 -0.31 0.41 0.00 0.00 173.24 173.64 2ery s TYR 51 N -0.96 0.97 0.03 2.43 1.51 0.03 -4.97 117.35 116.38 2ery s TYR 51 Ca 0.16 -1.08 0.01 0.00 -1.01 0.00 0.00 57.07 55.15 2ery s TYR 51 Cb -0.11 -0.56 -0.02 0.00 -0.11 0.00 0.00 41.96 41.16 2ery s TYR 51 CO 0.06 -0.32 -0.05 -0.08 -1.11 0.00 0.00 175.55 174.05 2ery s THR 52 N -3.81 0.33 -0.09 -0.71 -1.32 -1.26 -0.36 115.64 108.42 2ery s THR 52 Ca 0.20 -0.94 -0.07 0.00 -1.21 0.00 0.00 61.69 59.68 2ery s THR 52 Cb 0.07 -0.42 0.03 0.00 -1.51 0.00 0.00 72.50 70.66 2ery s THR 52 CO 0.00 -0.40 0.23 -0.75 -2.21 0.00 0.00 174.62 171.49 2ery s LYS 53 N -1.42 0.23 -0.21 7.08 2.20 -0.33 -4.99 119.74 122.29 2ery s LYS 53 Ca -0.12 0.39 -0.16 0.00 -0.36 0.00 0.00 55.97 55.72 2ery s LYS 53 Cb -0.09 0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.21 2ery s LYS 53 CO -0.00 -0.09 0.43 -1.14 -0.36 0.00 0.00 175.35 174.19 2ery s GLN 54 N 0.59 4.15 0.28 4.03 2.00 -1.26 -0.52 119.66 128.93 2ery s GLN 54 Ca -0.04 0.24 0.07 0.00 -2.00 0.00 0.00 55.36 53.63 2ery s GLN 54 Cb -0.05 -3.56 -0.06 0.00 0.80 0.00 0.00 33.01 30.14 2ery s GLN 54 CO -0.03 -0.11 -0.06 0.00 -0.50 0.00 0.00 175.29 174.59 2ery s VAL 56 N -3.02 1.82 -0.13 0.00 1.01 -1.26 -1.21 120.40 117.61 2ery s VAL 56 Ca 0.29 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2ery s VAL 56 Cb 0.04 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.67 2ery s VAL 56 CO 0.12 0.34 -0.12 -0.63 0.00 0.00 0.00 175.10 174.81 2ery s ILE 57 N 1.35 1.37 -1.49 2.22 1.01 -0.34 -4.68 121.20 120.64 2ery s ILE 57 Ca 0.02 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 2ery s ILE 57 Cb -0.15 -1.31 0.06 0.00 0.01 0.00 0.00 42.46 41.07 2ery s ILE 57 CO -0.10 0.42 0.65 0.47 0.00 0.00 0.00 174.94 176.38 2ery n ASP 58 N 4.73 -1.96 0.00 3.58 8.00 -1.26 -1.43 116.55 128.21 2ery n ASP 58 Ca -0.16 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.40 2ery n ASP 58 Cb 0.50 -3.24 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 2ery n ASP 58 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ery n ASP 59 N -2.88 -0.53 -4.68 -2.24 8.00 -1.26 -4.98 116.55 107.98 2ery n ASP 59 Ca -0.15 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.00 2ery n ASP 59 Cb 0.61 -1.80 -0.09 0.00 -0.02 0.00 0.00 41.12 39.82 2ery n ASP 59 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2ery s ARG 60 N -0.76 3.79 0.33 -1.24 0.52 -0.51 -5.05 118.95 116.04 2ery s ARG 60 Ca 0.00 -0.32 -0.29 0.00 -0.52 0.00 0.00 55.73 54.61 2ery s ARG 60 Cb 0.00 -3.17 -0.10 0.00 0.52 0.00 0.00 34.95 32.20 2ery s ARG 60 CO 0.00 0.40 1.30 0.00 0.02 0.00 0.00 175.30 177.02 2ery s ALA 61 N 0.02 3.49 -0.15 2.13 0.00 -1.26 -1.19 121.76 124.80 2ery s ALA 61 Ca 0.06 1.25 -0.10 0.00 0.00 0.00 0.00 51.96 53.17 2ery s ALA 61 Cb -0.12 -3.48 0.05 0.00 0.00 0.00 0.00 23.12 19.57 2ery s ALA 61 CO 0.01 -0.64 0.38 0.00 0.00 0.00 0.00 175.76 175.51 2ery s ALA 62 N -1.14 -0.95 -0.18 0.00 0.00 -0.35 -4.68 121.76 114.46 2ery s ALA 62 Ca 0.49 1.29 -0.17 0.00 0.00 0.00 0.00 51.96 53.57 2ery s ALA 62 Cb -0.40 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 2ery s ALA 62 CO 0.53 -0.22 0.43 0.50 0.00 0.00 0.00 175.76 177.00 2ery s ARG 63 N 0.91 4.21 -0.23 0.00 3.52 -0.40 -0.63 118.95 126.33 2ery s ARG 63 Ca -0.06 0.29 -0.06 0.00 -0.13 0.00 0.00 55.73 55.77 2ery s ARG 63 Cb -0.06 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.78 2ery s ARG 63 CO -0.07 -0.02 0.03 -0.51 -0.81 0.00 0.00 175.30 173.93 2ery s LEU 64 N 1.23 3.29 -0.28 -0.88 1.43 0.32 -0.88 118.68 122.92 2ery s LEU 64 Ca 0.21 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 52.98 2ery s LEU 64 Cb -0.15 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 2ery s LEU 64 CO 0.08 -0.01 0.12 -1.81 0.23 0.00 0.00 176.35 174.97 2ery s ASP 65 N 1.45 5.45 -0.15 2.29 1.01 0.43 -1.18 116.67 125.95 2ery s ASP 65 Ca 0.05 -0.27 0.01 0.00 0.71 0.00 0.00 52.55 53.05 2ery s ASP 65 Cb -0.15 -1.99 0.00 0.00 1.01 0.00 0.00 42.92 41.80 2ery s ASP 65 CO 0.02 -0.09 -0.18 -0.63 0.21 0.00 0.00 175.17 174.50 2ery s ILE 66 N 1.64 2.43 -0.29 0.77 1.01 0.51 -0.06 121.20 127.23 2ery s ILE 66 Ca 0.06 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 2ery s ILE 66 Cb -0.16 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 2ery s ILE 66 CO 0.06 0.53 0.22 -0.22 0.00 0.00 0.00 174.94 175.52 2ery s LEU 67 N 0.86 4.09 -0.58 2.97 2.96 -0.05 -0.79 118.68 128.14 2ery s LEU 67 Ca -0.05 -0.03 -0.18 0.00 -0.22 0.00 0.00 54.13 53.64 2ery s LEU 67 Cb -0.15 -2.16 0.10 0.00 0.50 0.00 0.00 46.19 44.48 2ery s LEU 67 CO -0.02 -0.09 0.67 -0.62 -1.32 0.00 0.00 176.35 174.97 2ery s ASP 68 N 1.74 6.19 0.48 3.68 2.15 -0.12 -1.22 116.67 129.57 2ery s ASP 68 Ca 0.08 -1.45 -0.20 0.00 0.43 0.00 0.00 52.55 51.41 2ery s ASP 68 Cb -0.16 -2.29 -0.09 0.00 -0.30 0.00 0.00 42.92 40.08 2ery s ASP 68 CO 0.11 -1.06 1.01 0.42 -0.17 0.00 0.00 175.17 175.48 2ery s THR 69 N 2.52 4.01 -0.16 1.71 -4.23 -1.06 -2.76 115.64 115.67 2ery s THR 69 Ca 0.10 1.20 0.19 0.00 -1.18 0.00 0.00 61.69 62.01 2ery s THR 69 Cb -0.25 -3.50 0.45 0.00 1.34 0.00 0.00 72.50 70.54 2ery s THR 69 CO 0.06 -0.32 1.17 0.00 -0.54 0.00 0.00 174.62 174.99 2ery n ALA 70 N -1.02 3.11 -2.46 3.99 0.00 -1.26 -4.88 120.51 117.98 2ery n ALA 70 Ca 0.08 -2.88 -0.26 0.00 0.00 0.00 0.00 53.44 50.38 2ery n ALA 70 Cb 0.53 -0.63 -0.15 0.00 0.00 0.00 0.00 19.45 19.20 2ery n ALA 70 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2ery s PHE 75 N -2.22 1.74 -0.10 0.00 2.19 -1.26 -4.85 117.98 113.47 2ery s PHE 75 Ca 0.36 -0.33 0.00 0.00 0.33 0.00 0.00 56.93 57.29 2ery s PHE 75 Cb 0.37 -1.12 0.00 0.00 -1.31 0.00 0.00 43.02 40.96 2ery s PHE 75 CO -0.08 -0.03 0.00 0.41 1.83 0.00 0.00 175.22 177.34 2ery n GLY 76 N 2.61 -0.64 0.37 13.12 0.00 -1.26 -5.03 105.19 114.36 2ery n GLY 76 Ca -0.15 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.39 2ery n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ery h ALA 77 N 0.00 1.40 0.68 4.61 0.00 -2.05 0.21 119.26 124.11 2ery h ALA 77 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2ery h ALA 77 Cb 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.47 2ery h ALA 77 CO 0.00 0.50 -0.33 1.98 0.00 0.00 0.00 179.25 181.40 2ery h MET 78 N 1.18 -0.88 -0.53 0.00 1.85 -1.99 0.69 114.93 115.24 2ery h MET 78 Ca 0.38 0.06 -0.08 0.00 -0.61 0.00 0.00 59.70 59.44 2ery h MET 78 Cb 0.02 0.20 -0.02 0.00 0.43 0.00 0.00 31.60 32.23 2ery h MET 78 CO -0.12 -0.57 0.00 0.00 -0.40 0.00 0.00 176.91 175.83 2ery h ARG 79 N -1.00 0.89 -0.97 0.39 3.08 -1.94 -1.67 114.38 113.16 2ery h ARG 79 Ca -0.09 -0.25 0.13 0.00 0.07 0.00 0.00 59.98 59.84 2ery h ARG 79 Cb 0.73 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.60 2ery h ARG 79 CO 0.15 0.88 0.61 0.93 -1.07 0.00 0.00 179.97 181.48 2ery h GLU 80 N 0.82 0.86 -0.31 0.04 5.08 -0.82 -0.80 114.58 119.45 2ery h GLU 80 Ca 0.16 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 2ery h GLU 80 Cb 0.49 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2ery h GLU 80 CO 0.02 0.57 -0.07 0.37 -1.00 0.00 0.00 179.01 178.90 2ery h GLN 81 N 0.88 0.60 0.00 2.33 5.75 0.09 0.44 115.11 125.20 2ery h GLN 81 Ca 0.49 -0.23 -0.08 0.00 -0.15 0.00 0.00 58.65 58.69 2ery h GLN 81 Cb 0.60 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 2ery h GLN 81 CO -0.26 0.78 -0.36 0.10 -2.65 0.00 0.00 178.83 176.45 2ery h TYR 82 N 0.38 0.00 -0.31 3.99 -0.00 -1.19 -1.64 116.97 118.20 2ery h TYR 82 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.69 2ery h TYR 82 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.28 2ery h TYR 82 CO 0.05 0.36 -0.32 0.52 -0.00 0.00 0.00 178.16 178.77 2ery h MET 83 N 0.00 0.66 -0.68 0.10 2.86 -0.88 -1.62 114.93 115.36 2ery h MET 83 Ca -0.00 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 2ery h MET 83 Cb 0.77 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 2ery h MET 83 CO 0.05 0.89 0.35 -0.09 1.06 0.00 0.00 176.91 179.17 2ery h ARG 84 N 0.56 0.96 -0.00 1.72 2.43 0.77 -3.02 114.38 117.79 2ery h ARG 84 Ca 0.06 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2ery h ARG 84 Cb 0.82 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2ery h ARG 84 CO 0.07 0.74 -0.58 0.25 -1.51 0.00 0.00 179.97 178.93 2ery n THR 85 N -4.49 0.00 -1.98 0.20 -2.24 -0.74 -4.92 114.28 100.11 2ery n THR 85 Ca 0.05 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 2ery n THR 85 Cb 0.11 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 2ery n THR 85 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ery s GLY 86 N -2.92 1.83 0.06 3.38 0.00 -0.61 -4.84 107.32 104.22 2ery s GLY 86 Ca 0.12 1.33 0.23 0.00 0.00 0.00 0.00 44.72 46.40 2ery s GLY 86 CO 0.71 2.50 0.93 1.18 0.00 0.00 0.00 173.10 178.42 2ery n GLU 87 N 3.48 0.40 -3.50 2.90 1.02 0.63 -4.96 120.64 120.60 2ery n GLU 87 Ca 0.11 -0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.12 2ery n GLU 87 Cb 0.39 -1.62 -0.04 0.00 -0.02 0.00 0.00 31.44 30.16 2ery n GLU 87 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2ery s GLY 88 N -3.90 -0.49 -0.05 0.62 0.00 -1.14 -4.63 107.32 97.72 2ery s GLY 88 Ca 0.01 1.16 0.03 0.00 0.00 0.00 0.00 44.72 45.92 2ery s GLY 88 CO 0.82 0.59 -0.11 -1.36 0.00 0.00 0.00 173.10 173.03 2ery s PHE 89 N -2.39 1.26 -0.31 1.90 0.08 -0.84 -1.46 117.98 116.22 2ery s PHE 89 Ca -0.01 -0.39 -0.18 0.00 0.12 0.00 0.00 56.93 56.47 2ery s PHE 89 Cb -0.01 -0.91 -0.02 0.00 -0.57 0.00 0.00 43.02 41.52 2ery s PHE 89 CO -0.03 -0.19 0.51 -0.51 -0.10 0.00 0.00 175.22 174.90 2ery s LEU 90 N 0.41 4.19 -0.49 -0.37 1.43 -0.53 -1.10 118.68 122.22 2ery s LEU 90 Ca -0.08 0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 2ery s LEU 90 Cb -0.12 -2.61 0.07 0.00 0.03 0.00 0.00 46.19 43.55 2ery s LEU 90 CO 0.02 -0.38 0.52 -0.76 0.23 0.00 0.00 176.35 175.98 2ery s LEU 91 N 2.35 5.31 -0.16 1.79 1.43 0.02 -1.15 118.68 128.27 2ery s LEU 91 Ca 0.20 -1.14 -0.05 0.00 -1.03 0.00 0.00 54.13 52.11 2ery s LEU 91 Cb -0.15 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 2ery s LEU 91 CO 0.11 -0.78 0.01 -0.69 0.23 0.00 0.00 176.35 175.23 2ery s VAL 92 N 2.15 4.33 0.33 -1.59 1.01 -0.17 -0.81 120.40 125.65 2ery s VAL 92 Ca 0.10 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.93 2ery s VAL 92 Cb -0.22 -2.92 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 2ery s VAL 92 CO 0.09 0.49 0.01 0.72 0.00 0.00 0.00 175.10 176.41 2ery s PHE 93 N 0.23 2.12 -0.19 5.22 -0.12 -0.43 -4.08 117.98 120.72 2ery s PHE 93 Ca 0.01 -0.79 -0.10 0.00 -0.05 0.00 0.00 56.93 55.99 2ery s PHE 93 Cb -0.13 -1.36 -0.05 0.00 -0.63 0.00 0.00 43.02 40.85 2ery s PHE 93 CO 0.02 0.22 0.14 0.45 -0.05 0.00 0.00 175.22 176.00 2ery s SER 94 N -3.53 6.24 0.10 1.98 0.15 -1.26 -0.70 113.70 116.68 2ery s SER 94 Ca 0.34 0.27 0.12 0.00 0.70 0.00 0.00 55.95 57.38 2ery s SER 94 Cb 0.07 -2.09 0.54 0.00 -1.71 0.00 0.00 66.02 62.83 2ery s SER 94 CO 0.15 0.20 1.36 1.33 1.20 0.00 0.00 173.24 177.48 2ery n VAL 95 N 3.35 1.37 0.17 4.45 0.24 -0.25 -1.47 118.33 126.20 2ery n VAL 95 Ca -0.16 0.44 0.12 0.00 -2.04 0.00 0.00 64.34 62.70 2ery n VAL 95 Cb 0.52 -1.36 0.26 0.00 -1.47 0.00 0.00 33.84 31.79 2ery n VAL 95 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2ery n THR 96 N -1.76 0.64 -3.54 3.34 -2.24 -1.26 0.09 114.28 109.55 2ery n THR 96 Ca 0.01 -0.79 -0.29 0.00 -2.27 0.00 0.00 64.05 60.71 2ery n THR 96 Cb 0.09 0.77 -0.13 0.00 -2.10 0.00 0.00 70.33 68.96 2ery n THR 96 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ery s ASP 97 N -1.32 3.30 0.29 3.42 -1.08 -0.55 -4.47 116.67 116.26 2ery s ASP 97 Ca 0.41 -1.97 0.02 0.00 -0.52 0.00 0.00 52.55 50.49 2ery s ASP 97 Cb 0.23 -0.52 0.57 0.00 -1.46 0.00 0.00 42.92 41.74 2ery s ASP 97 CO 0.32 -0.35 1.84 -0.09 0.52 0.00 0.00 175.17 177.41 2ery h ARG 98 N 7.42 0.96 -0.76 4.34 9.65 -1.84 -1.96 114.38 132.19 2ery h ARG 98 Ca -0.03 -0.06 0.08 0.00 -1.10 0.00 0.00 59.98 58.88 2ery h ARG 98 Cb 0.98 -0.22 -0.07 0.00 -1.39 0.00 0.00 29.97 29.27 2ery h ARG 98 CO 0.36 0.63 0.42 0.78 2.80 0.00 0.00 179.97 184.95 2ery h GLY 99 N 0.98 1.15 1.70 2.80 0.00 -1.94 -1.26 103.07 106.51 2ery h GLY 99 Ca 0.50 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.45 2ery h GLY 99 CO -0.27 0.12 -0.33 1.48 0.00 0.00 0.00 176.54 177.55 2ery h SER 100 N 0.72 0.35 -0.37 0.19 4.64 -1.69 -1.16 113.55 116.22 2ery h SER 100 Ca 0.36 -0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 2ery h SER 100 Cb 0.32 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 2ery h SER 100 CO -0.24 0.66 0.10 0.15 -0.87 0.00 0.00 176.83 176.64 2ery h PHE 101 N 0.29 0.61 -0.01 4.77 3.57 -1.09 -2.96 116.94 122.13 2ery h PHE 101 Ca 0.04 -0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 2ery h PHE 101 Cb 0.73 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2ery h PHE 101 CO 0.02 0.59 -0.43 0.93 -2.23 0.00 0.00 178.31 177.19 2ery h GLU 102 N 0.45 0.01 0.00 1.11 4.39 -0.90 -2.45 114.58 117.20 2ery h GLU 102 Ca 0.12 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 2ery h GLU 102 Cb 0.28 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2ery h GLU 102 CO -0.00 0.45 -0.00 0.93 -1.16 0.00 0.00 179.01 179.22 2ery h GLU 103 N 0.01 0.00 -0.89 2.33 5.08 -1.05 -3.08 114.58 116.98 2ery h GLU 103 Ca -0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2ery h GLU 103 Cb 0.77 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 2ery h GLU 103 CO 0.06 0.00 0.58 0.82 -1.00 0.00 0.00 179.01 179.47 2ery h ILE 104 N 0.00 1.11 -0.74 3.13 1.08 -1.43 -1.53 117.51 119.13 2ery h ILE 104 Ca -0.00 -0.37 0.12 0.00 -0.39 0.00 0.00 64.86 64.22 2ery h ILE 104 Cb 0.11 -0.04 -0.08 0.00 -3.07 0.00 0.00 36.82 33.74 2ery h ILE 104 CO 0.00 0.19 0.34 1.88 -0.69 0.00 0.00 178.15 179.87 2ery h TYR 105 N 1.06 0.59 -0.37 1.37 0.05 -1.75 -1.97 116.97 115.95 2ery h TYR 105 Ca 0.36 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 59.16 2ery h TYR 105 Cb 0.09 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 2ery h TYR 105 CO -0.00 0.16 0.17 0.87 -1.05 0.00 0.00 178.16 178.31 2ery h LYS 106 N 0.54 0.54 -0.41 4.88 1.57 -1.49 -2.19 116.57 120.01 2ery h LYS 106 Ca 0.38 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 2ery h LYS 106 Cb 0.50 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2ery h LYS 106 CO -0.33 0.49 0.19 0.74 -0.57 0.00 0.00 179.45 179.97 2ery h PHE 107 N 0.46 0.61 -0.47 -1.35 0.04 -1.25 -0.97 116.94 114.01 2ery h PHE 107 Ca 0.13 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 2ery h PHE 107 Cb 0.13 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 2ery h PHE 107 CO -0.01 0.51 0.17 0.37 -0.60 0.00 0.00 178.31 178.75 2ery h GLN 108 N 0.53 0.72 -0.71 1.51 -0.00 -1.29 -1.60 115.11 114.25 2ery h GLN 108 Ca 0.14 -0.14 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 2ery h GLN 108 Cb 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 27.48 27.48 2ery h GLN 108 CO -0.02 0.67 0.36 0.00 0.00 0.00 0.00 178.83 179.84 2ery h ARG 109 N 0.62 1.01 -0.51 1.69 3.08 -1.23 -1.51 114.38 117.53 2ery h ARG 109 Ca 0.15 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ery h ARG 109 Cb 0.23 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2ery h ARG 109 CO -0.01 0.78 0.31 1.96 -1.07 0.00 0.00 179.97 181.94 2ery h GLN 110 N 0.99 0.69 -0.09 0.04 4.20 -0.96 -1.52 115.11 118.46 2ery h GLN 110 Ca 0.25 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 2ery h GLN 110 Cb 0.09 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 2ery h GLN 110 CO -0.03 0.50 0.04 0.82 -0.67 0.00 0.00 178.83 179.48 2ery h ILE 111 N 0.68 1.14 -0.18 2.54 2.04 -1.08 -1.49 117.51 121.16 2ery h ILE 111 Ca 0.18 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 2ery h ILE 111 Cb -0.01 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2ery h ILE 111 CO -0.03 0.12 -0.05 -0.07 0.00 0.00 0.00 178.15 178.11 2ery h LEU 112 N -0.01 0.24 -0.27 1.44 3.38 -1.23 -0.57 115.31 118.29 2ery h LEU 112 Ca 0.03 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2ery h LEU 112 Cb 0.16 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2ery h LEU 112 CO -0.00 0.34 -0.48 -0.09 0.09 0.00 0.00 178.44 178.30 2ery h ARG 113 N 0.26 0.80 -0.43 1.13 2.43 -1.03 0.58 114.38 118.12 2ery h ARG 113 Ca 0.06 -0.50 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 2ery h ARG 113 Cb 0.27 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2ery h ARG 113 CO 0.01 1.13 0.21 0.28 -1.51 0.00 0.00 179.97 180.09 2ery h VAL 114 N 0.55 1.18 0.00 0.20 2.07 -0.88 -2.81 116.25 116.55 2ery h VAL 114 Ca 0.02 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 2ery h VAL 114 Cb 1.08 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2ery h VAL 114 CO 0.11 0.19 -0.01 0.11 0.02 0.00 0.00 177.57 177.98 2ery h LYS 115 N 0.55 0.00 -6.16 1.57 1.79 -1.05 -3.47 116.57 109.80 2ery h LYS 115 Ca 0.15 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 58.16 2ery h LYS 115 Cb 0.11 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.78 2ery h LYS 115 CO -0.02 0.01 -0.73 -3.47 -1.08 0.00 0.00 179.45 174.16 2ery n ASP 116 N -3.11 -5.31 -4.31 0.86 2.03 0.17 -4.99 116.55 101.90 2ery n ASP 116 Ca 0.02 -0.70 -0.16 0.00 0.52 0.00 0.00 54.79 54.46 2ery n ASP 116 Cb 0.38 -4.25 -0.10 0.00 -0.72 0.00 0.00 41.12 36.43 2ery n ASP 116 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2ery s ARG 117 N -6.53 1.23 0.17 -0.67 0.52 -1.08 -5.05 118.95 107.55 2ery s ARG 117 Ca 0.64 -1.57 0.23 0.00 -0.52 0.00 0.00 55.73 54.51 2ery s ARG 117 Cb -0.31 -0.78 0.14 0.00 0.52 0.00 0.00 34.95 34.52 2ery s ARG 117 CO 0.80 0.05 1.16 -0.44 0.02 0.00 0.00 175.30 176.90 2ery h ASP 118 N 2.61 0.00 -5.15 0.23 3.32 -1.94 -3.45 116.42 112.04 2ery h ASP 118 Ca -0.38 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 2ery h ASP 118 Cb 1.21 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.64 2ery h ASP 118 CO 0.64 0.05 -0.18 -1.83 -1.72 0.00 0.00 179.24 176.20 2ery s GLU 119 N -3.28 1.13 -0.21 3.56 -1.05 -1.26 -5.11 118.70 112.49 2ery s GLU 119 Ca 0.02 -0.94 -0.27 0.00 -0.15 0.00 0.00 54.97 53.63 2ery s GLU 119 Cb 0.11 0.43 0.09 0.00 -0.44 0.00 0.00 34.13 34.33 2ery s GLU 119 CO 0.76 -0.43 0.85 0.12 0.95 0.00 0.00 175.26 177.51 2ery s PHE 120 N -3.88 -0.60 -0.29 4.83 5.36 -1.26 -5.09 117.98 117.05 2ery s PHE 120 Ca 0.09 1.33 -0.37 0.00 -0.96 0.00 0.00 56.93 57.02 2ery s PHE 120 Cb 0.02 0.36 -0.13 0.00 -0.34 0.00 0.00 43.02 42.92 2ery s PHE 120 CO -0.06 -0.38 1.97 -2.30 -1.46 0.00 0.00 175.22 172.99 2ery n PRO 121 N 1.86 1.24 -3.71 10.12 -0.02 -1.26 -4.94 135.00 138.29 2ery n PRO 121 Ca -0.14 0.41 -0.11 0.00 -2.02 0.00 0.00 63.50 61.64 2ery n PRO 121 Cb 0.56 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.66 2ery n PRO 121 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2ery s MET 122 N 4.83 0.90 -0.00 -0.52 -1.94 -1.26 -1.98 119.30 119.33 2ery s MET 122 Ca 1.03 -0.54 0.01 0.00 -1.71 0.00 0.00 55.69 54.48 2ery s MET 122 Cb -0.94 0.39 -0.00 0.00 2.01 0.00 0.00 34.83 36.29 2ery s MET 122 CO 0.57 -0.31 -0.04 -1.50 -0.01 0.00 0.00 175.02 173.73 2ery s ILE 123 N -2.88 0.32 -0.20 2.53 2.07 -0.26 -4.35 121.20 118.44 2ery s ILE 123 Ca -0.03 -0.17 -0.18 0.00 -1.41 0.00 0.00 60.65 58.86 2ery s ILE 123 Cb 0.00 -0.28 -0.03 0.00 0.13 0.00 0.00 42.46 42.28 2ery s ILE 123 CO -0.05 0.09 0.50 -0.22 -1.91 0.00 0.00 174.94 173.34 2ery s LEU 124 N -0.09 4.16 -0.20 8.50 2.96 0.07 -0.80 118.68 133.28 2ery s LEU 124 Ca 0.02 0.66 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 2ery s LEU 124 Cb -0.02 -2.67 0.02 0.00 0.50 0.00 0.00 46.19 44.02 2ery s LEU 124 CO -0.00 -0.15 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.08 2ery s ILE 125 N 1.52 2.25 -0.64 6.68 -1.09 0.01 -1.00 121.20 128.94 2ery s ILE 125 Ca 0.23 -0.99 -0.19 0.00 -2.23 0.00 0.00 60.65 57.48 2ery s ILE 125 Cb -0.15 -2.01 0.11 0.00 -1.58 0.00 0.00 42.46 38.83 2ery s ILE 125 CO 0.09 0.44 0.75 -0.83 -1.23 0.00 0.00 174.94 174.17 2ery s GLY 126 N 1.29 1.85 0.56 6.18 0.00 -0.43 -1.31 107.32 115.45 2ery s GLY 126 Ca 0.03 -2.36 -0.01 0.00 0.00 0.00 0.00 44.72 42.38 2ery s GLY 126 CO -0.11 1.60 0.81 0.21 0.00 0.00 0.00 173.10 175.62 2ery s ASN 127 N 3.52 5.32 -0.87 1.64 2.47 0.12 -1.33 114.94 125.81 2ery s ASN 127 Ca 0.14 0.20 -0.01 0.00 0.42 0.00 0.00 52.86 53.62 2ery s ASN 127 Cb -0.21 -1.12 0.00 0.00 -1.45 0.00 0.00 41.25 38.46 2ery s ASN 127 CO 0.04 -1.14 0.08 0.29 -3.72 0.00 0.00 177.10 172.64 2ery n LYS 128 N -2.43 -1.24 0.06 0.43 5.02 -1.01 -1.08 118.16 117.91 2ery n LYS 128 Ca 0.06 0.50 0.08 0.00 -2.02 0.00 0.00 58.31 56.93 2ery n LYS 128 Cb 0.59 -4.55 0.35 0.00 -0.02 0.00 0.00 35.03 31.41 2ery n LYS 128 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ery n ALA 129 N -1.80 1.47 0.25 7.82 0.00 -0.76 -1.52 120.51 125.98 2ery n ALA 129 Ca -0.11 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.50 2ery n ALA 129 Cb 0.59 -1.25 0.59 0.00 0.00 0.00 0.00 19.45 19.38 2ery n ALA 129 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2ery h ASP 130 N 0.00 0.00 -0.99 0.00 2.03 -1.92 -3.33 116.42 112.21 2ery h ASP 130 Ca 0.00 0.00 -0.73 0.00 -0.73 0.00 0.00 57.03 55.57 2ery h ASP 130 Cb 0.21 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.61 2ery h ASP 130 CO 0.00 0.12 2.60 0.18 -1.03 0.00 0.00 179.24 181.11 2ery n LEU 131 N -3.29 7.96 0.25 0.15 4.77 -0.58 -4.79 117.00 121.48 2ery n LEU 131 Ca 0.00 -4.77 0.17 0.00 -0.03 0.00 0.00 56.01 51.39 2ery n LEU 131 Cb 0.35 -1.41 0.80 0.00 -2.33 0.00 0.00 43.42 40.83 2ery n LEU 131 CO 0.30 1.96 1.01 -2.24 -1.33 0.00 0.00 177.39 177.09 2ery h ASP 132 N 4.84 0.00 -0.46 -1.43 3.04 -1.82 -1.65 116.42 118.93 2ery h ASP 132 Ca 0.69 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.48 2ery h ASP 132 Cb 0.35 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.64 2ery h ASP 132 CO 1.55 0.00 0.00 1.41 -2.04 0.00 0.00 179.24 180.16 2ery n HIS 133 N -2.82 1.25 -0.43 4.15 8.25 -1.26 -4.22 115.22 120.15 2ery n HIS 133 Ca -0.00 -0.70 0.01 0.00 -0.26 0.00 0.00 57.72 56.77 2ery n HIS 133 Cb 0.18 -0.28 0.02 0.00 1.12 0.00 0.00 29.99 31.03 2ery n HIS 133 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2ery n GLN 134 N 0.39 2.06 -2.20 -0.41 6.02 -0.62 -5.08 117.38 117.54 2ery n GLN 134 Ca 0.22 -1.44 -0.41 0.00 -0.01 0.00 0.00 57.00 55.36 2ery n GLN 134 Cb 0.87 -0.96 -0.03 0.00 1.02 0.00 0.00 30.24 31.15 2ery n GLN 134 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2ery s ARG 135 N -1.04 4.37 0.00 -1.09 0.52 -1.21 -4.41 118.95 116.10 2ery s ARG 135 Ca 0.05 2.07 0.15 0.00 -0.52 0.00 0.00 55.73 57.47 2ery s ARG 135 Cb 0.04 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 2ery s ARG 135 CO 0.00 -0.28 0.78 1.04 0.02 0.00 0.00 175.30 176.86 2ery n GLN 136 N 2.76 1.84 -4.28 3.54 6.02 0.11 -4.93 117.38 122.44 2ery n GLN 136 Ca 0.07 -0.63 -0.22 0.00 -0.01 0.00 0.00 57.00 56.20 2ery n GLN 136 Cb 0.43 -1.23 -0.17 0.00 1.02 0.00 0.00 30.24 30.29 2ery n GLN 136 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2ery s VAL 137 N -1.91 0.80 0.61 5.09 1.01 -0.82 -4.71 120.40 120.47 2ery s VAL 137 Ca 0.11 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 2ery s VAL 137 Cb 0.12 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 2ery s VAL 137 CO 0.42 0.29 1.00 0.42 0.00 0.00 0.00 175.10 177.22 2ery s THR 138 N 0.93 4.41 0.23 3.92 -4.23 -1.26 -4.90 115.64 114.74 2ery s THR 138 Ca -0.10 0.62 -0.08 0.00 -1.18 0.00 0.00 61.69 60.95 2ery s THR 138 Cb -0.15 -3.76 0.21 0.00 1.34 0.00 0.00 72.50 70.15 2ery s THR 138 CO 0.01 -0.94 1.89 -0.61 -0.54 0.00 0.00 174.62 174.43 2ery h GLN 139 N -0.29 1.21 -0.96 3.99 4.15 -1.99 -1.48 115.11 119.74 2ery h GLN 139 Ca -0.45 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 58.89 2ery h GLN 139 Cb 1.21 -0.26 -0.05 0.00 0.21 0.00 0.00 27.48 28.59 2ery h GLN 139 CO 0.62 0.83 0.64 1.49 -1.93 0.00 0.00 178.83 180.48 2ery h GLU 140 N 1.24 1.26 -0.40 1.69 4.81 -1.99 0.25 114.58 121.44 2ery h GLU 140 Ca 0.33 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 2ery h GLU 140 Cb -0.09 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 28.99 2ery h GLU 140 CO -0.07 0.83 -0.15 0.93 -0.73 0.00 0.00 179.01 179.82 2ery h GLU 141 N 1.29 0.74 -0.35 1.92 5.08 -1.75 -0.12 114.58 121.39 2ery h GLU 141 Ca 0.36 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2ery h GLU 141 Cb -0.13 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2ery h GLU 141 CO -0.08 0.85 0.06 0.78 -1.00 0.00 0.00 179.01 179.63 2ery h GLY 142 N 0.97 0.62 1.03 -3.84 0.00 -0.49 -1.31 103.07 100.05 2ery h GLY 142 Ca 0.11 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 2ery h GLY 142 CO 0.04 0.38 0.43 1.46 0.00 0.00 0.00 176.54 178.85 2ery h GLN 143 N 0.41 1.19 -0.53 4.80 4.20 -0.77 -1.38 115.11 123.03 2ery h GLN 143 Ca 0.11 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2ery h GLN 143 Cb 0.34 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2ery h GLN 143 CO 0.01 0.89 0.18 0.37 -0.67 0.00 0.00 178.83 179.61 2ery h GLN 144 N 1.18 0.81 -0.51 1.46 5.75 -0.89 -0.93 115.11 121.98 2ery h GLN 144 Ca 0.29 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.62 2ery h GLN 144 Cb 0.07 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 2ery h GLN 144 CO -0.04 0.73 0.30 1.25 -2.65 0.00 0.00 178.83 178.42 2ery h LEU 145 N 0.72 0.62 -1.15 -2.39 5.85 -0.97 -1.39 115.31 116.59 2ery h LEU 145 Ca 0.17 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2ery h LEU 145 Cb 0.24 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2ery h LEU 145 CO -0.01 0.50 0.55 0.00 -0.34 0.00 0.00 178.44 179.15 2ery h ALA 146 N 1.14 1.38 -0.47 1.25 0.00 -1.02 -0.49 119.26 121.06 2ery h ALA 146 Ca 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2ery h ALA 146 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2ery h ALA 146 CO -0.03 0.57 0.19 0.00 0.00 0.00 0.00 179.25 179.98 2ery h ARG 147 N 1.15 0.69 -0.79 0.00 3.08 -0.82 0.97 114.38 118.67 2ery h ARG 147 Ca 0.31 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 2ery h ARG 147 Cb -0.12 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.78 2ery h ARG 147 CO -0.07 0.62 0.36 1.96 -1.07 0.00 0.00 179.97 181.78 2ery h GLN 148 N 0.61 1.14 -0.01 0.04 4.20 -0.56 -2.31 115.11 118.21 2ery h GLN 148 Ca 0.16 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2ery h GLN 148 Cb 0.18 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2ery h GLN 148 CO -0.01 0.88 -0.08 1.28 -0.67 0.00 0.00 178.83 180.22 2ery n LEU 149 N -4.31 0.80 -3.73 1.46 4.77 -0.26 -4.96 117.00 110.77 2ery n LEU 149 Ca 0.08 -0.19 -0.23 0.00 -0.03 0.00 0.00 56.01 55.63 2ery n LEU 149 Cb 0.15 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2ery n LEU 149 CO 0.40 0.14 -0.01 0.29 -1.33 0.00 0.00 177.39 176.87 2ery n LYS 150 N -0.57 -5.21 -4.34 3.23 5.02 0.17 -5.01 118.16 111.45 2ery n LYS 150 Ca 0.17 0.63 -0.17 0.00 -2.02 0.00 0.00 58.31 56.92 2ery n LYS 150 Cb 0.29 -5.29 -0.10 0.00 -0.02 0.00 0.00 35.03 29.90 2ery n LYS 150 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2ery s VAL 151 N -3.57 0.96 0.29 -0.18 -7.23 -0.22 -5.04 120.40 105.43 2ery s VAL 151 Ca 0.17 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 2ery s VAL 151 Cb -0.08 -2.42 -0.09 0.00 0.56 0.00 0.00 36.38 34.34 2ery s VAL 151 CO 0.81 -0.25 1.07 -0.89 -0.31 0.00 0.00 175.10 175.53 2ery s THR 152 N -3.47 3.61 -0.08 5.32 2.01 -1.26 -4.42 115.64 117.35 2ery s THR 152 Ca 0.30 1.55 0.02 0.00 0.31 0.00 0.00 61.69 63.87 2ery s THR 152 Cb 0.06 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 2ery s THR 152 CO 0.10 0.32 -0.12 -0.47 -0.69 0.00 0.00 174.62 173.76 2ery s TYR 153 N -1.25 2.79 -0.01 4.92 5.04 -1.26 -0.75 117.35 126.83 2ery s TYR 153 Ca 0.46 -0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.87 2ery s TYR 153 Cb -0.29 -1.71 0.02 0.00 0.35 0.00 0.00 41.96 40.32 2ery s TYR 153 CO 0.37 0.12 0.01 -1.64 -1.34 0.00 0.00 175.55 173.08 2ery s MET 154 N -0.47 0.02 0.16 4.97 -1.94 -0.17 -4.98 119.30 116.90 2ery s MET 154 Ca 0.06 0.10 -0.10 0.00 -1.71 0.00 0.00 55.69 54.04 2ery s MET 154 Cb -0.12 -0.18 -0.07 0.00 2.01 0.00 0.00 34.83 36.47 2ery s MET 154 CO 0.02 -0.09 0.49 -1.21 -0.01 0.00 0.00 175.02 174.22 2ery s GLU 155 N 0.63 3.81 0.14 2.03 2.02 -1.26 -1.32 118.70 124.76 2ery s GLU 155 Ca -0.05 0.25 -0.06 0.00 0.02 0.00 0.00 54.97 55.13 2ery s GLU 155 Cb -0.08 -2.82 -0.02 0.00 0.10 0.00 0.00 34.13 31.31 2ery s GLU 155 CO -0.02 0.43 0.18 0.00 0.02 0.00 0.00 175.26 175.88 2ery s ALA 156 N -1.62 0.31 -0.11 5.21 0.00 -0.44 -4.67 121.76 120.44 2ery s ALA 156 Ca 0.41 -1.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 2ery s ALA 156 Cb -0.13 0.81 0.06 0.00 0.00 0.00 0.00 23.12 23.86 2ery s ALA 156 CO 0.21 -0.57 0.19 0.45 0.00 0.00 0.00 175.76 176.03 2ery s SER 157 N -2.99 0.79 0.35 0.00 0.15 -0.63 -1.82 113.70 109.55 2ery s SER 157 Ca 0.18 0.30 0.07 0.00 0.70 0.00 0.00 55.95 57.20 2ery s SER 157 Cb 0.05 0.36 0.65 0.00 -1.71 0.00 0.00 66.02 65.37 2ery s SER 157 CO -0.01 -0.26 1.86 0.00 1.20 0.00 0.00 173.24 176.03 2ery h ALA 158 N 8.34 1.37 -0.21 5.45 0.00 -1.90 0.13 119.26 132.44 2ery h ALA 158 Ca -0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2ery h ALA 158 Cb 1.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2ery h ALA 158 CO 0.16 0.43 0.03 -0.22 0.00 0.00 0.00 179.25 179.64 2ery h LYS 159 N 0.33 0.36 -0.61 0.00 3.64 -1.95 -3.07 116.57 115.27 2ery h LYS 159 Ca 0.06 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2ery h LYS 159 Cb 0.45 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2ery h LYS 159 CO 0.03 0.52 0.00 0.44 -2.27 0.00 0.00 179.45 178.16 2ery n ILE 160 N -4.72 0.93 -3.73 2.00 -5.35 -1.24 -4.93 119.36 102.33 2ery n ILE 160 Ca -0.04 -0.97 -0.22 0.00 -0.27 0.00 0.00 62.75 61.26 2ery n ILE 160 Cb 0.20 0.56 0.03 0.00 -1.74 0.00 0.00 39.64 38.70 2ery n ILE 160 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2ery n ARG 161 N 1.41 -4.66 -3.37 6.28 0.63 -0.47 -4.98 116.66 111.50 2ery n ARG 161 Ca 0.21 0.59 -0.39 0.00 -0.92 0.00 0.00 57.85 57.35 2ery n ARG 161 Cb 0.58 -5.09 -0.08 0.00 0.45 0.00 0.00 32.46 28.32 2ery n ARG 161 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 2ery s MET 162 N -6.03 4.13 -1.94 -0.14 1.75 -0.09 -4.43 119.30 112.55 2ery s MET 162 Ca 0.01 0.19 0.00 0.00 -1.25 0.00 0.00 55.69 54.64 2ery s MET 162 Cb -0.00 -3.57 0.00 0.00 2.84 0.00 0.00 34.83 34.10 2ery s MET 162 CO 0.82 -0.12 0.00 0.09 -0.65 0.00 0.00 175.02 175.16 2ery n ASN 163 N 4.76 -5.29 0.18 1.11 3.02 -1.26 -1.60 115.26 116.17 2ery n ASN 163 Ca -0.08 0.39 -0.08 0.00 -0.03 0.00 0.00 54.58 54.78 2ery n ASN 163 Cb 0.51 -4.43 -0.04 0.00 -0.61 0.00 0.00 39.78 35.21 2ery n ASN 163 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2ery h VAL 164 N 0.00 0.01 -0.89 2.41 2.07 -1.87 -1.70 116.25 116.29 2ery h VAL 164 Ca -0.39 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 66.55 2ery h VAL 164 Cb 1.24 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 2ery h VAL 164 CO 0.56 0.00 0.57 0.44 0.02 0.00 0.00 177.57 179.16 2ery h ASP 165 N -1.14 0.93 -0.58 0.57 3.32 -1.91 -2.85 116.42 114.76 2ery h ASP 165 Ca -0.05 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 2ery h ASP 165 Cb 0.41 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2ery h ASP 165 CO 0.09 0.62 0.25 1.56 -1.72 0.00 0.00 179.24 180.04 2ery h GLN 166 N 1.08 0.90 -0.35 3.56 7.50 -1.96 0.21 115.11 126.05 2ery h GLN 166 Ca 0.37 -0.14 -0.02 0.00 0.50 0.00 0.00 58.65 59.36 2ery h GLN 166 Cb 0.08 -0.16 -0.02 0.00 0.05 0.00 0.00 27.48 27.44 2ery h GLN 166 CO -0.14 0.73 0.14 0.00 -1.50 0.00 0.00 178.83 178.05 2ery h ALA 167 N 1.39 0.45 -0.23 3.87 0.00 -1.06 0.91 119.26 124.59 2ery h ALA 167 Ca 0.21 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 2ery h ALA 167 Cb 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2ery h ALA 167 CO -0.02 0.06 -0.49 0.74 0.00 0.00 0.00 179.25 179.54 2ery h PHE 168 N 0.42 0.94 -0.54 0.00 0.04 -1.38 -1.82 116.94 114.60 2ery h PHE 168 Ca 0.12 -0.35 0.05 0.00 2.80 0.00 0.00 57.97 60.59 2ery h PHE 168 Cb 0.19 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 38.13 2ery h PHE 168 CO -0.00 1.14 0.28 0.45 -0.60 0.00 0.00 178.31 179.58 2ery h HIS 169 N 0.47 0.52 -0.35 -0.55 3.86 -0.92 -2.49 115.15 115.69 2ery h HIS 169 Ca 0.00 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.14 2ery h HIS 169 Cb 1.10 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 29.40 2ery h HIS 169 CO 0.08 0.26 -0.19 1.49 0.86 0.00 0.00 177.93 180.43 2ery h GLU 170 N 0.55 0.67 -0.77 2.45 4.57 -0.67 -0.83 114.58 120.54 2ery h GLU 170 Ca 0.24 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2ery h GLU 170 Cb 0.13 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 2ery h GLU 170 CO -0.16 0.82 0.51 1.25 -1.18 0.00 0.00 179.01 180.25 2ery h LEU 171 N 0.59 0.89 -0.84 1.64 5.85 -1.14 -0.55 115.31 121.76 2ery h LEU 171 Ca 0.09 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2ery h LEU 171 Cb 0.65 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2ery h LEU 171 CO 0.05 0.65 0.43 0.58 -0.34 0.00 0.00 178.44 179.80 2ery h VAL 172 N 1.05 1.26 -0.96 1.05 2.07 -0.98 -0.88 116.25 118.85 2ery h VAL 172 Ca 0.28 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 67.15 2ery h VAL 172 Cb -0.12 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 29.75 2ery h VAL 172 CO -0.06 0.30 0.63 0.03 0.02 0.00 0.00 177.57 178.48 2ery h ARG 173 N 1.19 1.18 -0.24 1.57 3.08 -0.31 -0.71 114.38 120.13 2ery h ARG 173 Ca 0.29 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 2ery h ARG 173 Cb 0.08 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 2ery h ARG 173 CO -0.04 0.78 0.03 0.28 -1.07 0.00 0.00 179.97 179.95 2ery h VAL 174 N 1.21 1.23 -0.47 2.04 2.07 -0.49 -0.23 116.25 121.62 2ery h VAL 174 Ca 0.38 -0.79 0.05 0.00 0.82 0.00 0.00 66.70 67.16 2ery h VAL 174 Cb 0.00 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 2ery h VAL 174 CO -0.12 0.25 0.20 0.40 0.02 0.00 0.00 177.57 178.31 2ery h ILE 175 N 0.21 0.90 -0.75 4.57 2.04 -0.84 -1.14 117.51 122.49 2ery h ILE 175 Ca 0.07 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2ery h ILE 175 Cb 0.34 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 2ery h ILE 175 CO 0.01 0.07 0.42 0.03 0.00 0.00 0.00 178.15 178.68 2ery h ARG 176 N 0.39 1.05 -0.50 2.37 3.08 -0.90 -2.45 114.38 117.43 2ery h ARG 176 Ca 0.21 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 2ery h ARG 176 Cb 0.18 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2ery h ARG 176 CO -0.19 0.77 0.01 -0.22 -1.07 0.00 0.00 179.97 179.28 2ery h LYS 177 N 1.04 0.82 0.00 0.04 1.63 -0.50 -1.43 116.57 118.17 2ery h LYS 177 Ca 0.27 -0.22 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 2ery h LYS 177 Cb 0.03 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.56 2ery h LYS 177 CO -0.04 0.82 -0.12 0.74 -3.45 0.00 0.00 179.45 177.39 2ery h PHE 178 N 0.77 0.00 -0.02 1.91 -1.00 -0.92 -2.69 116.94 114.99 2ery h PHE 178 Ca 0.15 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.93 2ery h PHE 178 Cb 0.44 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.00 2ery h PHE 178 CO 0.02 0.12 -0.01 1.04 -1.61 0.00 0.00 178.31 177.87 2ery n GLN 179 N -4.13 1.87 0.00 1.51 6.02 -0.61 -5.11 117.38 116.93 2ery n GLN 179 Ca -0.02 -1.29 0.00 0.00 -0.01 0.00 0.00 57.00 55.67 2ery n GLN 179 Cb 0.20 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.99 2ery n GLN 179 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44