#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ery s LYS 14 N 0.00 0.36 -0.06 5.31 2.47 -1.26 -0.72 119.74 125.84 2ery s LYS 14 Ca 0.00 -0.39 0.01 0.00 -1.56 0.00 0.00 55.97 54.03 2ery s LYS 14 Cb 0.00 -0.23 0.02 0.00 -1.46 0.00 0.00 37.83 36.16 2ery s LYS 14 CO 0.00 0.05 -0.07 0.71 0.16 0.00 0.00 175.35 176.20 2ery s TYR 15 N -0.67 1.04 -0.64 4.03 2.02 0.03 -4.94 117.35 118.23 2ery s TYR 15 Ca -0.05 -0.37 -0.20 0.00 -0.37 0.00 0.00 57.07 56.08 2ery s TYR 15 Cb -0.05 -0.87 0.09 0.00 -0.40 0.00 0.00 41.96 40.73 2ery s TYR 15 CO -0.00 -0.27 0.83 0.50 -1.57 0.00 0.00 175.55 175.03 2ery s ARG 16 N 1.04 3.10 0.00 -0.62 3.00 -1.26 -0.92 118.95 123.28 2ery s ARG 16 Ca -0.09 -1.16 -0.07 0.00 -1.00 0.00 0.00 55.73 53.41 2ery s ARG 16 Cb -0.14 -4.28 -0.05 0.00 0.00 0.00 0.00 34.95 30.48 2ery s ARG 16 CO -0.00 -1.66 0.26 -0.51 0.00 0.00 0.00 175.30 173.39 2ery s LEU 17 N 3.20 4.37 -0.09 -0.88 1.43 -0.04 -0.33 118.68 126.34 2ery s LEU 17 Ca 0.17 0.56 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 2ery s LEU 17 Cb -0.20 -2.63 0.02 0.00 0.03 0.00 0.00 46.19 43.40 2ery s LEU 17 CO 0.07 0.26 -0.13 -0.69 0.23 0.00 0.00 176.35 176.10 2ery s VAL 18 N -1.28 1.26 -0.31 -1.59 1.01 -0.49 -0.61 120.40 118.40 2ery s VAL 18 Ca 0.27 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 2ery s VAL 18 Cb -0.13 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 2ery s VAL 18 CO 0.15 0.39 0.22 -0.69 0.00 0.00 0.00 175.10 175.18 2ery s VAL 19 N 0.96 5.29 0.27 2.92 1.01 -0.34 -0.83 120.40 129.69 2ery s VAL 19 Ca -0.08 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 61.94 2ery s VAL 19 Cb -0.15 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 2ery s VAL 19 CO -0.00 0.11 -0.07 0.68 0.00 0.00 0.00 175.10 175.81 2ery s VAL 20 N 1.75 1.68 0.00 2.92 -7.23 -0.40 -2.77 120.40 116.35 2ery s VAL 20 Ca 0.07 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 2ery s VAL 20 Cb -0.17 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.36 2ery s VAL 20 CO 0.11 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 2ery n GLY 21 N -0.57 2.66 3.64 2.32 0.00 -1.26 -0.96 105.19 111.02 2ery n GLY 21 Ca -0.06 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 2ery n GLY 21 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ery s GLY 22 N 0.00 1.56 0.38 -0.02 0.00 -1.26 -4.92 107.32 103.06 2ery s GLY 22 Ca 0.00 -0.34 -0.27 0.00 0.00 0.00 0.00 44.72 44.11 2ery s GLY 22 CO 0.00 0.30 1.41 -0.32 0.00 0.00 0.00 173.10 174.50 2ery s GLY 23 N -3.29 2.95 -0.03 0.20 0.00 -1.26 -3.24 107.32 102.65 2ery s GLY 23 Ca 0.66 1.45 0.00 0.00 0.00 0.00 0.00 44.72 46.82 2ery s GLY 23 CO 0.59 2.10 0.00 0.61 0.00 0.00 0.00 173.10 176.40 2ery n GLY 24 N 0.58 0.34 0.20 0.20 0.00 -1.26 -4.89 105.19 100.36 2ery n GLY 24 Ca 0.02 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.00 1.61 -1.51 -1.92 -3.47 116.25 110.95 2ery h VAL 25 Ca -0.01 -0.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 2ery h VAL 25 Cb 0.37 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 2ery h VAL 25 CO 0.01 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 2ery n GLY 26 N 0.97 1.76 0.35 5.19 0.00 -1.26 -4.43 105.19 107.78 2ery n GLY 26 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -0.68 -0.44 1.61 1.57 -1.91 0.95 116.57 117.67 2ery h LYS 27 Ca 0.00 0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2ery h LYS 27 Cb 0.00 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2ery h LYS 27 CO 0.00 -0.46 0.03 0.77 -0.57 0.00 0.00 179.45 179.23 2ery h SER 28 N -0.71 0.73 -0.78 0.86 0.02 -1.96 -1.58 113.55 110.13 2ery h SER 28 Ca -0.03 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2ery h SER 28 Cb 0.63 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 2ery h SER 28 CO -0.03 0.83 0.49 0.00 -1.14 0.00 0.00 176.83 176.99 2ery h ALA 29 N 0.92 0.99 -0.29 3.77 0.00 -1.85 0.60 119.26 123.40 2ery h ALA 29 Ca 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2ery h ALA 29 Cb 0.44 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2ery h ALA 29 CO 0.02 0.43 0.10 -0.07 0.00 0.00 0.00 179.25 179.72 2ery h LEU 30 N 1.06 0.42 -0.02 0.00 3.38 -0.67 -1.15 115.31 118.33 2ery h LEU 30 Ca 0.28 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2ery h LEU 30 Cb -0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2ery h LEU 30 CO -0.06 0.51 0.01 0.74 0.09 0.00 0.00 178.44 179.73 2ery h THR 31 N 0.31 1.09 -0.37 0.22 2.02 -1.03 -0.55 112.91 114.61 2ery h THR 31 Ca 0.09 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 2ery h THR 31 Cb 0.23 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 2ery h THR 31 CO -0.00 0.07 -0.12 0.40 0.37 0.00 0.00 175.52 176.24 2ery h ILE 32 N -0.08 1.25 -0.53 3.11 2.04 -0.91 -0.57 117.51 121.82 2ery h ILE 32 Ca 0.01 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 2ery h ILE 32 Cb 0.11 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2ery h ILE 32 CO -0.00 0.37 0.26 1.56 0.00 0.00 0.00 178.15 180.35 2ery h GLN 33 N 0.60 0.75 -0.23 2.37 1.08 -1.05 0.33 115.11 118.96 2ery h GLN 33 Ca 0.10 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2ery h GLN 33 Cb 0.55 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2ery h GLN 33 CO 0.03 0.61 0.12 0.35 -0.95 0.00 0.00 178.83 179.00 2ery h PHE 34 N 0.71 0.33 0.11 2.96 3.57 -0.37 -1.07 116.94 123.18 2ery h PHE 34 Ca 0.18 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.49 2ery h PHE 34 Cb 0.10 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 38.75 2ery h PHE 34 CO -0.01 0.30 -0.85 0.82 -2.23 0.00 0.00 178.31 176.34 2ery h ILE 35 N 0.26 1.43 -0.00 1.41 1.08 -1.07 -3.41 117.51 117.21 2ery h ILE 35 Ca 0.08 -2.48 0.00 0.00 -0.39 0.00 0.00 64.86 62.07 2ery h ILE 35 Cb 0.09 3.10 0.00 0.00 -3.07 0.00 0.00 36.82 36.94 2ery h ILE 35 CO -0.01 0.69 -0.33 0.00 -0.69 0.00 0.00 178.15 177.81 2ery n GLN 36 N -4.15 3.95 -3.53 2.37 6.02 0.11 -5.03 117.38 117.12 2ery n GLN 36 Ca -0.16 -0.11 -0.24 0.00 -0.01 0.00 0.00 57.00 56.47 2ery n GLN 36 Cb 0.79 -0.90 0.07 0.00 1.02 0.00 0.00 30.24 31.22 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 -1.00 -6.37 -4.11 1.08 7.64 -0.41 -4.97 113.62 105.48 2ery n SER 37 Ca 0.02 -0.51 -0.09 0.00 1.01 0.00 0.00 58.87 59.30 2ery n SER 37 Cb 0.13 -5.02 -0.10 0.00 -1.01 0.00 0.00 64.21 58.21 2ery n SER 37 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2ery s TYR 38 N -3.30 0.69 -0.27 1.43 -0.85 -1.26 -5.02 117.35 108.77 2ery s TYR 38 Ca 0.56 -1.14 -0.09 0.00 -0.52 0.00 0.00 57.07 55.88 2ery s TYR 38 Cb -0.25 -0.42 -0.04 0.00 0.38 0.00 0.00 41.96 41.64 2ery s TYR 38 CO 0.69 -0.47 0.14 0.12 -1.52 0.00 0.00 175.55 174.51 2ery s PHE 39 N -3.99 3.16 -0.05 -3.49 5.36 -1.26 -3.52 117.98 114.19 2ery s PHE 39 Ca 0.16 -0.18 -0.19 0.00 -0.96 0.00 0.00 56.93 55.77 2ery s PHE 39 Cb 0.07 -2.32 -0.05 0.00 -0.34 0.00 0.00 43.02 40.39 2ery s PHE 39 CO -0.03 -0.28 0.52 0.14 -1.46 0.00 0.00 175.22 174.11 2ery s VAL 40 N 1.68 5.04 -0.10 3.12 -7.23 -1.26 -4.98 120.40 116.66 2ery s VAL 40 Ca 0.07 1.07 0.20 0.00 -1.81 0.00 0.00 61.98 61.51 2ery s VAL 40 Cb -0.16 -3.85 -0.28 0.00 0.56 0.00 0.00 36.38 32.65 2ery s VAL 40 CO 0.07 0.41 0.41 0.35 -0.31 0.00 0.00 175.10 176.03 2ery n THR 41 N 2.95 0.56 -2.75 5.32 -2.24 -1.26 -4.71 114.28 112.15 2ery n THR 41 Ca -0.08 -0.63 -0.10 0.00 -2.27 0.00 0.00 64.05 60.97 2ery n THR 41 Cb 0.51 -0.22 0.04 0.00 -2.10 0.00 0.00 70.33 68.57 2ery n THR 41 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2ery n ASP 42 N -2.49 0.42 -4.69 3.42 9.92 -1.26 -5.10 116.55 116.78 2ery n ASP 42 Ca -0.13 -2.75 -0.42 0.00 -0.53 0.00 0.00 54.79 50.95 2ery n ASP 42 Cb 0.77 -0.07 -0.03 0.00 -0.64 0.00 0.00 41.12 41.15 2ery n ASP 42 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2ery s TYR 43 N -2.12 3.50 -0.34 1.24 6.14 -1.26 -4.93 117.35 119.59 2ery s TYR 43 Ca 0.28 1.52 -0.41 0.00 0.64 0.00 0.00 57.07 59.10 2ery s TYR 43 Cb 0.42 -3.14 -0.18 0.00 0.42 0.00 0.00 41.96 39.48 2ery s TYR 43 CO -0.01 -0.21 1.33 -3.47 0.64 0.00 0.00 175.55 173.82 2ery n ASP 44 N 5.00 0.81 0.21 4.32 4.64 -1.26 -4.81 116.55 125.46 2ery n ASP 44 Ca 0.08 1.07 0.15 0.00 -1.38 0.00 0.00 54.79 54.71 2ery n ASP 44 Cb 0.49 -0.81 0.64 0.00 -1.04 0.00 0.00 41.12 40.40 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 4.07 0.00 -0.01 -0.67 0.13 -2.03 -3.06 132.00 130.43 2ery h PRO 45 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2ery h PRO 45 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2ery h PRO 45 CO 0.81 0.00 -0.34 0.25 -0.23 0.00 0.00 178.00 178.49 2ery n THR 46 N -2.65 0.00 -3.26 1.56 -2.24 -1.26 -4.66 114.28 101.77 2ery n THR 46 Ca 0.01 -0.19 -0.38 0.00 -2.27 0.00 0.00 64.05 61.22 2ery n THR 46 Cb 0.23 0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 2ery n THR 46 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2ery s ILE 47 N -2.48 5.14 -0.19 2.28 1.09 -1.16 -4.84 121.20 121.04 2ery s ILE 47 Ca 0.22 1.07 0.01 0.00 -1.10 0.00 0.00 60.65 60.86 2ery s ILE 47 Cb 0.19 -3.87 0.03 0.00 -1.06 0.00 0.00 42.46 37.75 2ery s ILE 47 CO 0.54 0.32 -0.18 -0.70 -0.10 0.00 0.00 174.94 174.82 2ery s GLU 48 N 0.56 2.81 0.06 2.79 2.12 -1.26 -4.46 118.70 121.32 2ery s GLU 48 Ca 0.29 -0.91 -0.02 0.00 0.36 0.00 0.00 54.97 54.69 2ery s GLU 48 Cb -0.16 -2.60 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 2ery s GLU 48 CO 0.12 -0.28 -0.00 0.34 -0.54 0.00 0.00 175.26 174.90 2ery s ASP 49 N 1.27 0.44 0.06 -1.70 2.15 -1.09 -5.00 116.67 112.81 2ery s ASP 49 Ca 0.02 -1.00 0.05 0.00 0.43 0.00 0.00 52.55 52.05 2ery s ASP 49 Cb -0.14 0.22 -0.04 0.00 -0.30 0.00 0.00 42.92 42.66 2ery s ASP 49 CO -0.11 -0.63 -0.03 -0.44 -0.17 0.00 0.00 175.17 173.79 2ery s SER 50 N -2.93 4.83 0.21 -0.34 0.01 -1.26 -1.40 113.70 112.81 2ery s SER 50 Ca 0.09 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.17 2ery s SER 50 Cb 0.08 -1.12 -0.05 0.00 0.21 0.00 0.00 66.02 65.14 2ery s SER 50 CO -0.09 0.21 0.07 -0.31 0.41 0.00 0.00 173.24 173.53 2ery s TYR 51 N -1.20 1.30 0.02 2.43 2.02 0.50 -4.99 117.35 117.44 2ery s TYR 51 Ca 0.22 -1.17 -0.03 0.00 -0.37 0.00 0.00 57.07 55.73 2ery s TYR 51 Cb -0.11 -0.74 -0.01 0.00 -0.40 0.00 0.00 41.96 40.70 2ery s TYR 51 CO 0.14 -0.36 0.03 -0.08 -1.57 0.00 0.00 175.55 173.71 2ery s THR 52 N -3.82 0.11 -0.14 -0.71 -1.32 -1.26 -0.62 115.64 107.88 2ery s THR 52 Ca 0.32 -0.95 -0.13 0.00 -1.21 0.00 0.00 61.69 59.72 2ery s THR 52 Cb 0.07 -0.49 0.04 0.00 -1.51 0.00 0.00 72.50 70.61 2ery s THR 52 CO 0.09 -0.52 0.38 -0.75 -2.21 0.00 0.00 174.62 171.61 2ery s LYS 53 N -1.79 0.45 -0.18 7.08 2.20 -0.65 -5.00 119.74 121.84 2ery s LYS 53 Ca -0.12 0.54 -0.15 0.00 -0.36 0.00 0.00 55.97 55.87 2ery s LYS 53 Cb -0.07 0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.42 2ery s LYS 53 CO -0.02 -0.06 0.37 -1.14 -0.36 0.00 0.00 175.35 174.15 2ery s GLN 54 N 0.24 4.21 0.16 4.03 2.00 -1.26 -0.69 119.66 128.36 2ery s GLN 54 Ca -0.00 0.18 0.06 0.00 -2.00 0.00 0.00 55.36 53.59 2ery s GLN 54 Cb -0.03 -3.49 -0.04 0.00 0.80 0.00 0.00 33.01 30.24 2ery s GLN 54 CO 0.00 0.07 -0.12 0.00 -0.50 0.00 0.00 175.29 174.74 2ery s VAL 56 N -3.09 2.93 -0.12 0.00 1.01 -1.26 -0.54 120.40 119.33 2ery s VAL 56 Ca 0.17 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 2ery s VAL 56 Cb 0.01 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 34.11 2ery s VAL 56 CO 0.03 0.47 -0.09 -0.63 0.00 0.00 0.00 175.10 174.87 2ery s ILE 57 N 1.35 1.17 -1.53 2.22 1.01 -0.54 -4.69 121.20 120.19 2ery s ILE 57 Ca 0.04 -0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 2ery s ILE 57 Cb -0.14 -1.16 0.08 0.00 0.01 0.00 0.00 42.46 41.26 2ery s ILE 57 CO -0.06 0.39 0.86 0.47 0.00 0.00 0.00 174.94 176.61 2ery n ASP 58 N 4.90 -3.67 -0.27 3.58 8.00 -1.26 -1.59 116.55 126.24 2ery n ASP 58 Ca -0.14 -0.85 -0.03 0.00 0.71 0.00 0.00 54.79 54.48 2ery n ASP 58 Cb 0.50 -3.61 -0.01 0.00 -0.02 0.00 0.00 41.12 37.98 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 -2.84 -5.46 -4.40 -2.24 8.00 -1.26 -4.98 116.55 103.36 2ery n ASP 59 Ca -0.02 0.09 -0.34 0.00 0.71 0.00 0.00 54.79 55.22 2ery n ASP 59 Cb 0.55 -3.27 -0.13 0.00 -0.02 0.00 0.00 41.12 38.25 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 -2.05 3.51 0.43 -1.24 0.52 -0.62 -5.09 118.95 114.41 2ery s ARG 60 Ca 0.00 -0.59 -0.25 0.00 -0.52 0.00 0.00 55.73 54.37 2ery s ARG 60 Cb 0.00 -2.90 -0.08 0.00 0.52 0.00 0.00 34.95 32.49 2ery s ARG 60 CO 0.00 0.07 1.20 0.00 0.02 0.00 0.00 175.30 176.59 2ery s ALA 61 N 0.80 3.11 -0.08 2.13 0.00 -1.26 -1.46 121.76 124.99 2ery s ALA 61 Ca -0.02 1.03 -0.08 0.00 0.00 0.00 0.00 51.96 52.89 2ery s ALA 61 Cb -0.15 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.58 2ery s ALA 61 CO 0.02 -0.67 0.22 0.00 0.00 0.00 0.00 175.76 175.33 2ery s ALA 62 N -1.41 -0.56 -0.18 0.00 0.00 0.29 -4.79 121.76 115.12 2ery s ALA 62 Ca 0.60 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 53.02 2ery s ALA 62 Cb -0.32 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 2ery s ALA 62 CO 0.40 -0.11 0.39 0.50 0.00 0.00 0.00 175.76 176.94 2ery s ARG 63 N 0.09 4.22 -0.31 0.00 3.52 0.10 -0.82 118.95 125.75 2ery s ARG 63 Ca -0.00 0.21 -0.06 0.00 -0.13 0.00 0.00 55.73 55.76 2ery s ARG 63 Cb -0.02 -3.50 0.03 0.00 -1.56 0.00 0.00 34.95 29.90 2ery s ARG 63 CO 0.00 0.05 0.07 -0.51 -0.81 0.00 0.00 175.30 174.10 2ery s LEU 64 N 1.02 3.96 -0.43 -0.88 1.02 0.14 -0.79 118.68 122.73 2ery s LEU 64 Ca 0.19 -0.95 -0.15 0.00 0.02 0.00 0.00 54.13 53.25 2ery s LEU 64 Cb -0.14 -1.84 0.04 0.00 0.02 0.00 0.00 46.19 44.27 2ery s LEU 64 CO 0.07 -0.24 0.32 -1.81 0.02 0.00 0.00 176.35 174.71 2ery s ASP 65 N 1.42 6.09 -0.19 2.29 1.01 -0.10 -1.64 116.67 125.56 2ery s ASP 65 Ca -0.00 -1.03 -0.08 0.00 0.71 0.00 0.00 52.55 52.15 2ery s ASP 65 Cb -0.18 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 2ery s ASP 65 CO 0.01 -0.50 0.08 -0.63 0.21 0.00 0.00 175.17 174.34 2ery s ILE 66 N 1.66 4.96 -0.23 0.77 -1.09 0.21 -0.86 121.20 126.62 2ery s ILE 66 Ca 0.05 0.03 -0.07 0.00 -2.23 0.00 0.00 60.65 58.42 2ery s ILE 66 Cb -0.21 -3.24 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 2ery s ILE 66 CO 0.09 0.46 0.06 -0.22 -1.23 0.00 0.00 174.94 174.10 2ery s LEU 67 N 0.34 3.52 -0.49 2.97 2.96 0.22 -0.37 118.68 127.83 2ery s LEU 67 Ca 0.05 -0.13 -0.18 0.00 -0.22 0.00 0.00 54.13 53.64 2ery s LEU 67 Cb -0.12 -1.93 0.06 0.00 0.50 0.00 0.00 46.19 44.70 2ery s LEU 67 CO -0.00 0.03 0.57 -0.62 -1.32 0.00 0.00 176.35 175.00 2ery s ASP 68 N 1.24 6.21 0.45 3.68 2.15 -0.49 -1.20 116.67 128.71 2ery s ASP 68 Ca 0.05 -0.99 -0.11 0.00 0.43 0.00 0.00 52.55 51.92 2ery s ASP 68 Cb -0.14 -2.26 -0.06 0.00 -0.30 0.00 0.00 42.92 40.15 2ery s ASP 68 CO 0.03 -0.82 0.84 0.42 -0.17 0.00 0.00 175.17 175.47 2ery s THR 69 N 2.39 4.74 -0.09 1.71 -4.23 -1.11 -2.66 115.64 116.38 2ery s THR 69 Ca 0.13 0.72 -0.04 0.00 -1.18 0.00 0.00 61.69 61.32 2ery s THR 69 Cb -0.20 -3.75 0.05 0.00 1.34 0.00 0.00 72.50 69.93 2ery s THR 69 CO 0.11 -0.64 0.20 0.00 -0.54 0.00 0.00 174.62 173.75 2ery s ALA 70 N -2.53 -0.36 0.00 3.99 0.00 -1.26 -4.88 121.76 116.73 2ery s ALA 70 Ca 0.53 0.77 0.00 0.00 0.00 0.00 0.00 51.96 53.26 2ery s ALA 70 Cb -0.10 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.28 2ery s ALA 70 CO 0.34 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.11 2ery n GLY 71 N 4.82 -2.13 3.84 0.00 0.00 -1.26 -4.85 105.19 105.60 2ery n GLY 71 Ca -0.15 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 2ery n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ery s GLN 72 N -0.25 4.09 0.09 1.61 1.11 -1.26 -5.02 119.66 120.03 2ery s GLN 72 Ca 0.00 0.79 -0.34 0.00 0.01 0.00 0.00 55.36 55.82 2ery s GLN 72 Cb 0.00 -2.45 -0.14 0.00 -1.01 0.00 0.00 33.01 29.41 2ery s GLN 72 CO 0.00 0.16 1.61 0.39 0.01 0.00 0.00 175.29 177.45 2ery n GLU 73 N -0.26 2.01 -3.93 2.91 -0.58 -1.26 -5.01 120.64 114.51 2ery n GLU 73 Ca 0.03 0.73 -0.10 0.00 -0.42 0.00 0.00 57.16 57.40 2ery n GLU 73 Cb 0.53 -2.49 -0.12 0.00 -0.57 0.00 0.00 31.44 28.79 2ery n GLU 73 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2ery s GLU 74 N 1.52 0.27 0.31 3.49 2.02 -1.26 -5.15 118.70 119.89 2ery s GLU 74 Ca 0.83 -0.41 -0.27 0.00 0.02 0.00 0.00 54.97 55.13 2ery s GLU 74 Cb -0.73 0.10 -0.09 0.00 0.10 0.00 0.00 34.13 33.51 2ery s GLU 74 CO 0.42 -0.05 1.02 -0.06 0.02 0.00 0.00 175.26 176.61 2ery s PHE 75 N -1.08 3.61 0.00 1.61 2.99 -1.26 -4.76 117.98 119.09 2ery s PHE 75 Ca -0.12 1.75 0.00 0.00 0.00 0.00 0.00 56.93 58.56 2ery s PHE 75 Cb -0.07 -3.09 0.00 0.00 0.00 0.00 0.00 43.02 39.85 2ery s PHE 75 CO -0.00 -0.18 0.00 0.41 -0.00 0.00 0.00 175.22 175.45 2ery n GLY 76 N 0.89 0.95 0.28 4.36 0.00 -1.26 -4.93 105.19 105.47 2ery n GLY 76 Ca 0.01 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 1.51 0.00 4.61 0.00 -2.04 -2.12 119.26 121.22 2ery h ALA 77 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ery h ALA 77 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2ery h ALA 77 CO 0.00 0.05 -0.92 -1.33 0.00 0.00 0.00 179.25 177.05 2ery n MET 78 N -3.88 0.40 -3.50 0.00 2.81 -1.26 -4.89 117.12 106.81 2ery n MET 78 Ca -0.03 0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.50 2ery n MET 78 Cb 0.13 -1.69 -0.10 0.00 -0.71 0.00 0.00 33.22 30.84 2ery n MET 78 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2ery s ARG 79 N -3.25 3.17 0.14 0.03 1.81 -0.80 -5.06 118.95 114.99 2ery s ARG 79 Ca 0.03 -0.87 -0.31 0.00 -1.72 0.00 0.00 55.73 52.85 2ery s ARG 79 Cb 0.13 -3.89 -0.08 0.00 -0.45 0.00 0.00 34.95 30.65 2ery s ARG 79 CO 0.77 -0.62 1.39 -2.00 -0.68 0.00 0.00 175.30 174.16 2ery s GLU 80 N 1.69 4.32 -1.31 3.54 2.12 -1.26 -4.41 118.70 123.39 2ery s GLU 80 Ca 0.05 2.10 -0.18 0.00 0.36 0.00 0.00 54.97 57.30 2ery s GLU 80 Cb -0.18 -3.23 0.07 0.00 0.26 0.00 0.00 34.13 31.05 2ery s GLU 80 CO 0.10 -0.41 1.76 1.04 -0.54 0.00 0.00 175.26 177.20 2ery n GLN 81 N 3.66 3.19 0.15 4.30 1.13 -1.26 -4.80 117.38 123.74 2ery n GLN 81 Ca 0.10 -3.26 0.12 0.00 -1.94 0.00 0.00 57.00 52.02 2ery n GLN 81 Cb 0.42 -3.48 0.55 0.00 0.11 0.00 0.00 30.24 27.84 2ery n GLN 81 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 2ery n TYR 82 N 8.24 0.83 -0.01 1.08 0.18 -1.26 -1.14 117.16 125.07 2ery n TYR 82 Ca 0.49 0.37 -0.02 0.00 1.88 0.00 0.00 57.90 60.62 2ery n TYR 82 Cb 0.46 -1.09 -0.12 0.00 -0.38 0.00 0.00 39.34 38.21 2ery n TYR 82 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 2ery n MET 83 N -2.29 0.65 0.00 -3.48 2.81 -1.26 -0.17 117.12 113.37 2ery n MET 83 Ca 0.01 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2ery n MET 83 Cb 0.15 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 30.98 2ery n MET 83 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2ery n ARG 84 N -2.76 0.00 0.22 0.03 0.63 -1.19 -4.51 116.66 109.08 2ery n ARG 84 Ca -0.15 0.15 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 2ery n ARG 84 Cb 0.90 -0.27 0.26 0.00 0.45 0.00 0.00 32.46 33.79 2ery n ARG 84 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 2ery h THR 85 N 0.00 0.10 -3.25 5.15 1.35 -1.12 -3.47 112.91 111.69 2ery h THR 85 Ca 0.00 -1.04 -0.53 0.00 -0.55 0.00 0.00 66.41 64.30 2ery h THR 85 Cb 0.00 1.95 0.03 0.00 -1.73 0.00 0.00 68.15 68.40 2ery h THR 85 CO 0.00 0.06 0.68 -0.83 -0.25 0.00 0.00 175.52 175.17 2ery s GLY 86 N -4.23 2.29 0.07 5.82 0.00 0.76 -4.87 107.32 107.15 2ery s GLY 86 Ca 0.05 1.11 0.23 0.00 0.00 0.00 0.00 44.72 46.11 2ery s GLY 86 CO 0.65 2.17 1.04 1.18 0.00 0.00 0.00 173.10 178.15 2ery n GLU 87 N 3.11 0.32 -3.51 2.90 1.02 0.55 -4.95 120.64 120.09 2ery n GLU 87 Ca 0.08 0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 2ery n GLU 87 Cb 0.43 -1.62 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 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 -3.74 -0.48 -0.05 0.62 0.00 -1.18 -4.66 107.32 97.82 2ery s GLY 88 Ca 0.03 1.24 0.03 0.00 0.00 0.00 0.00 44.72 46.02 2ery s GLY 88 CO 0.79 0.64 -0.12 -1.36 0.00 0.00 0.00 173.10 173.06 2ery s PHE 89 N -2.22 1.36 -0.32 1.90 0.08 -0.76 -1.39 117.98 116.64 2ery s PHE 89 Ca -0.02 -0.46 -0.20 0.00 0.12 0.00 0.00 56.93 56.38 2ery s PHE 89 Cb -0.01 -0.99 -0.01 0.00 -0.57 0.00 0.00 43.02 41.45 2ery s PHE 89 CO -0.02 -0.23 0.60 -0.51 -0.10 0.00 0.00 175.22 174.96 2ery s LEU 90 N 0.51 4.19 -0.53 -0.37 1.43 -0.01 -1.68 118.68 122.23 2ery s LEU 90 Ca -0.11 0.30 -0.19 0.00 -1.03 0.00 0.00 54.13 53.10 2ery s LEU 90 Cb -0.14 -2.75 0.08 0.00 0.03 0.00 0.00 46.19 43.40 2ery s LEU 90 CO 0.03 -0.48 0.62 -0.76 0.23 0.00 0.00 176.35 175.99 2ery s LEU 91 N 2.56 5.21 -0.17 1.79 1.43 0.47 -1.28 118.68 128.69 2ery s LEU 91 Ca 0.23 -1.15 -0.07 0.00 -1.03 0.00 0.00 54.13 52.12 2ery s LEU 91 Cb -0.15 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 2ery s LEU 91 CO 0.12 -0.94 0.07 -0.69 0.23 0.00 0.00 176.35 175.15 2ery s VAL 92 N 2.51 4.87 0.27 -1.59 1.01 -0.14 -0.77 120.40 126.57 2ery s VAL 92 Ca 0.12 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.14 2ery s VAL 92 Cb -0.22 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 2ery s VAL 92 CO 0.09 0.49 -0.00 0.72 0.00 0.00 0.00 175.10 176.40 2ery s PHE 93 N 0.12 1.76 -0.20 5.22 -0.12 -0.36 -4.07 117.98 120.33 2ery s PHE 93 Ca 0.05 -0.87 -0.10 0.00 -0.05 0.00 0.00 56.93 55.96 2ery s PHE 93 Cb -0.12 -1.05 -0.05 0.00 -0.63 0.00 0.00 43.02 41.17 2ery s PHE 93 CO 0.00 0.06 0.14 0.45 -0.05 0.00 0.00 175.22 175.82 2ery s SER 94 N -3.38 6.23 0.17 1.98 0.15 -1.26 -0.40 113.70 117.19 2ery s SER 94 Ca 0.31 0.25 0.18 0.00 0.70 0.00 0.00 55.95 57.39 2ery s SER 94 Cb 0.06 -2.10 0.80 0.00 -1.71 0.00 0.00 66.02 63.08 2ery s SER 94 CO 0.11 0.18 1.55 1.33 1.20 0.00 0.00 173.24 177.61 2ery n VAL 95 N 3.50 1.06 1.37 4.45 0.24 -0.16 -1.19 118.33 127.59 2ery n VAL 95 Ca -0.16 0.37 0.13 0.00 -2.04 0.00 0.00 64.34 62.65 2ery n VAL 95 Cb 0.52 -1.28 0.41 0.00 -1.47 0.00 0.00 33.84 32.03 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 -1.96 0.00 -3.68 3.34 -2.24 -1.26 0.20 114.28 108.67 2ery n THR 96 Ca 0.01 -0.31 -0.30 0.00 -2.27 0.00 0.00 64.05 61.19 2ery n THR 96 Cb 0.15 0.75 -0.14 0.00 -2.10 0.00 0.00 70.33 68.99 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 -2.01 3.75 0.37 3.42 -1.08 -0.34 -4.49 116.67 116.29 2ery s ASP 97 Ca 0.35 -2.02 0.06 0.00 -0.52 0.00 0.00 52.55 50.42 2ery s ASP 97 Cb 0.21 -0.84 0.75 0.00 -1.46 0.00 0.00 42.92 41.58 2ery s ASP 97 CO 0.33 -0.35 1.98 -0.09 0.52 0.00 0.00 175.17 177.56 2ery h ARG 98 N 7.52 0.71 -0.77 4.34 9.65 -1.86 -2.03 114.38 131.94 2ery h ARG 98 Ca -0.07 -0.04 0.08 0.00 -1.10 0.00 0.00 59.98 58.84 2ery h ARG 98 Cb 0.98 -0.16 -0.07 0.00 -1.39 0.00 0.00 29.97 29.33 2ery h ARG 98 CO 0.45 0.47 0.44 0.78 2.80 0.00 0.00 179.97 184.91 2ery h GLY 99 N 0.73 1.17 1.45 2.80 0.00 -1.94 -0.47 103.07 106.81 2ery h GLY 99 Ca 0.27 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 2ery h GLY 99 CO -0.08 0.15 -0.17 1.48 0.00 0.00 0.00 176.54 177.92 2ery h SER 100 N 0.76 0.65 -0.34 0.19 4.64 -1.70 -1.61 113.55 116.14 2ery h SER 100 Ca 0.36 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 2ery h SER 100 Cb 0.29 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2ery h SER 100 CO -0.22 0.83 0.19 0.15 -0.87 0.00 0.00 176.83 176.91 2ery h PHE 101 N 0.58 0.46 0.00 4.77 3.57 -1.14 -2.61 116.94 122.58 2ery h PHE 101 Ca 0.09 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2ery h PHE 101 Cb 0.62 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2ery h PHE 101 CO 0.03 0.36 0.00 0.39 -2.23 0.00 0.00 178.31 176.86 2ery n GLU 102 N -4.79 0.10 0.04 1.11 1.02 -0.24 -2.52 120.64 115.36 2ery n GLU 102 Ca -0.01 0.16 0.12 0.00 -0.02 0.00 0.00 57.16 57.41 2ery n GLU 102 Cb 0.07 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.12 2ery n GLU 102 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2ery n GLU 103 N -1.42 0.26 -0.28 3.49 2.13 -0.64 -4.44 120.64 119.74 2ery n GLU 103 Ca 0.06 0.05 -0.00 0.00 0.66 0.00 0.00 57.16 57.92 2ery n GLU 103 Cb 0.19 -1.63 0.12 0.00 0.27 0.00 0.00 31.44 30.39 2ery n GLU 103 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2ery h ILE 104 N 0.00 1.04 -0.82 6.31 1.08 -1.45 -2.06 117.51 121.61 2ery h ILE 104 Ca 0.00 -0.31 0.13 0.00 -0.39 0.00 0.00 64.86 64.29 2ery h ILE 104 Cb 0.72 0.06 -0.06 0.00 -3.07 0.00 0.00 36.82 34.47 2ery h ILE 104 CO 0.00 0.16 0.53 0.10 -0.69 0.00 0.00 178.15 178.26 2ery h TYR 105 N 0.90 0.70 -0.31 1.37 -0.00 -1.80 -2.12 116.97 115.71 2ery h TYR 105 Ca 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 58.73 59.08 2ery h TYR 105 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 36.73 36.64 2ery h TYR 105 CO -0.04 0.28 0.15 0.87 -0.00 0.00 0.00 178.16 179.42 2ery h LYS 106 N 0.61 0.44 -0.17 0.10 1.57 -1.67 -0.93 116.57 116.52 2ery h LYS 106 Ca 0.40 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 2ery h LYS 106 Cb 0.68 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2ery h LYS 106 CO -0.16 0.41 0.06 0.74 -0.57 0.00 0.00 179.45 179.92 2ery h PHE 107 N 0.37 0.28 -0.18 -1.35 0.04 -1.46 -0.90 116.94 113.74 2ery h PHE 107 Ca 0.11 -0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.88 2ery h PHE 107 Cb 0.11 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.15 2ery h PHE 107 CO -0.02 0.37 -0.01 0.37 -0.60 0.00 0.00 178.31 178.42 2ery h GLN 108 N 0.11 0.04 -0.51 1.51 -0.00 -1.28 -1.23 115.11 113.75 2ery h GLN 108 Ca 0.06 -0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.64 2ery h GLN 108 Cb 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.67 2ery h GLN 108 CO -0.00 0.03 0.06 0.00 0.00 0.00 0.00 178.83 178.92 2ery h ARG 109 N 0.04 0.81 -0.48 1.69 3.08 -1.14 -1.85 114.38 116.54 2ery h ARG 109 Ca 0.08 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 2ery h ARG 109 Cb 0.11 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2ery h ARG 109 CO -0.15 0.78 0.07 0.37 -1.07 0.00 0.00 179.97 179.97 2ery h GLN 110 N 0.77 0.80 0.16 0.04 5.75 -0.81 -0.95 115.11 120.87 2ery h GLN 110 Ca 0.16 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2ery h GLN 110 Cb 0.37 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.83 2ery h GLN 110 CO 0.01 0.81 -0.07 0.82 -2.65 0.00 0.00 178.83 177.74 2ery h ILE 111 N 0.67 0.93 -0.19 2.39 2.04 -1.03 -1.25 117.51 121.06 2ery h ILE 111 Ca 0.15 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 2ery h ILE 111 Cb 0.40 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2ery h ILE 111 CO 0.01 0.08 0.01 -0.07 0.00 0.00 0.00 178.15 178.18 2ery h LEU 112 N -0.37 0.24 -0.23 1.44 3.38 -1.29 -0.20 115.31 118.28 2ery h LEU 112 Ca -0.02 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2ery h LEU 112 Cb 0.30 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2ery h LEU 112 CO 0.04 0.29 -0.03 -0.09 0.09 0.00 0.00 178.44 178.73 2ery h ARG 113 N 0.27 0.42 -0.51 1.13 2.43 -0.87 0.45 114.38 117.70 2ery h ARG 113 Ca 0.06 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 58.99 2ery h ARG 113 Cb 0.17 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2ery h ARG 113 CO 0.00 0.63 -0.07 0.28 -1.51 0.00 0.00 179.97 179.30 2ery h VAL 114 N 0.17 1.26 0.00 0.20 2.07 -0.70 -2.65 116.25 116.60 2ery h VAL 114 Ca 0.06 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2ery h VAL 114 Cb 0.46 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2ery h VAL 114 CO 0.02 0.42 0.00 0.11 0.02 0.00 0.00 177.57 178.13 2ery h LYS 115 N 0.84 0.00 -6.04 1.57 1.79 -1.02 -3.45 116.57 110.26 2ery h LYS 115 Ca 0.14 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.19 2ery h LYS 115 Cb 0.59 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.30 2ery h LYS 115 CO 0.04 0.00 -0.77 -3.47 -1.08 0.00 0.00 179.45 174.17 2ery n ASP 116 N -3.02 -3.60 -4.23 0.86 2.03 0.11 -5.00 116.55 103.70 2ery n ASP 116 Ca 0.02 -0.72 -0.15 0.00 0.52 0.00 0.00 54.79 54.47 2ery n ASP 116 Cb 0.41 -4.37 -0.10 0.00 -0.72 0.00 0.00 41.12 36.33 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 -6.17 1.01 0.20 -0.67 0.52 -1.00 -5.05 118.95 107.80 2ery s ARG 117 Ca 0.34 -1.37 0.19 0.00 -0.52 0.00 0.00 55.73 54.38 2ery s ARG 117 Cb -0.16 -0.64 0.01 0.00 0.52 0.00 0.00 34.95 34.67 2ery s ARG 117 CO 0.79 0.09 1.10 -0.44 0.02 0.00 0.00 175.30 176.86 2ery h ASP 118 N 3.03 0.00 -5.12 0.23 3.32 -1.95 -3.44 116.42 112.50 2ery h ASP 118 Ca -0.37 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.58 2ery h ASP 118 Cb 1.19 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.59 2ery h ASP 118 CO 0.60 0.27 -0.37 -1.61 -1.72 0.00 0.00 179.24 176.41 2ery s GLU 119 N -3.13 0.79 -0.20 3.56 2.02 -1.26 -5.09 118.70 115.39 2ery s GLU 119 Ca 0.00 -0.81 -0.27 0.00 0.02 0.00 0.00 54.97 53.91 2ery s GLU 119 Cb 0.08 0.33 0.10 0.00 0.10 0.00 0.00 34.13 34.74 2ery s GLU 119 CO 0.78 -0.24 0.87 0.12 0.02 0.00 0.00 175.26 176.80 2ery s PHE 120 N -3.32 -0.58 -0.37 1.61 5.36 -1.26 -5.08 117.98 114.34 2ery s PHE 120 Ca 0.01 1.25 -0.39 0.00 -0.96 0.00 0.00 56.93 56.84 2ery s PHE 120 Cb 0.02 0.37 -0.14 0.00 -0.34 0.00 0.00 43.02 42.93 2ery s PHE 120 CO -0.08 -0.37 2.05 -2.30 -1.46 0.00 0.00 175.22 173.06 2ery n PRO 121 N 1.76 0.83 -3.77 10.12 -0.02 -1.26 -4.95 135.00 137.72 2ery n PRO 121 Ca -0.14 0.25 -0.11 0.00 -2.02 0.00 0.00 63.50 61.49 2ery n PRO 121 Cb 0.56 -2.13 -0.07 0.00 -0.02 0.00 0.00 33.50 31.84 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 5.42 0.83 0.01 -0.52 -1.94 -1.26 -1.82 119.30 120.01 2ery s MET 122 Ca 1.09 -0.60 0.01 0.00 -1.71 0.00 0.00 55.69 54.48 2ery s MET 122 Cb -1.07 0.36 -0.01 0.00 2.01 0.00 0.00 34.83 36.11 2ery s MET 122 CO 0.58 -0.27 -0.05 -1.50 -0.01 0.00 0.00 175.02 173.77 2ery s ILE 123 N -2.87 0.36 -0.24 2.53 2.07 -0.68 -4.46 121.20 117.91 2ery s ILE 123 Ca -0.03 -0.42 -0.16 0.00 -1.41 0.00 0.00 60.65 58.63 2ery s ILE 123 Cb 0.00 -0.35 -0.04 0.00 0.13 0.00 0.00 42.46 42.21 2ery s ILE 123 CO -0.05 -0.05 0.40 -0.22 -1.91 0.00 0.00 174.94 173.11 2ery s LEU 124 N -0.51 4.09 -0.20 8.50 2.96 -0.57 -0.39 118.68 132.55 2ery s LEU 124 Ca -0.02 0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 54.28 2ery s LEU 124 Cb -0.04 -2.49 0.00 0.00 0.50 0.00 0.00 46.19 44.16 2ery s LEU 124 CO -0.00 -0.15 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.13 2ery s ILE 125 N 1.80 2.80 -0.64 6.68 -1.09 0.05 -1.31 121.20 129.50 2ery s ILE 125 Ca 0.17 -0.69 -0.17 0.00 -2.23 0.00 0.00 60.65 57.74 2ery s ILE 125 Cb -0.15 -2.24 0.13 0.00 -1.58 0.00 0.00 42.46 38.62 2ery s ILE 125 CO 0.09 0.47 0.67 -0.83 -1.23 0.00 0.00 174.94 174.12 2ery s GLY 126 N 1.40 2.04 0.60 6.18 0.00 -0.50 -1.22 107.32 115.82 2ery s GLY 126 Ca 0.05 -2.56 -0.04 0.00 0.00 0.00 0.00 44.72 42.18 2ery s GLY 126 CO -0.07 1.43 0.89 0.21 0.00 0.00 0.00 173.10 175.55 2ery s ASN 127 N 3.37 5.34 -0.69 1.64 2.47 0.46 -0.73 114.94 126.81 2ery s ASN 127 Ca 0.11 0.47 0.00 0.00 0.42 0.00 0.00 52.86 53.86 2ery s ASN 127 Cb -0.23 -1.37 0.00 0.00 -1.45 0.00 0.00 41.25 38.20 2ery s ASN 127 CO 0.02 -1.19 0.00 0.29 -3.72 0.00 0.00 177.10 172.50 2ery n LYS 128 N -2.58 -0.60 0.14 0.43 5.02 -0.78 -0.99 118.16 118.80 2ery n LYS 128 Ca 0.06 0.46 0.11 0.00 -2.02 0.00 0.00 58.31 56.91 2ery n LYS 128 Cb 0.59 -4.36 0.52 0.00 -0.02 0.00 0.00 35.03 31.75 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 -0.85 1.37 0.27 7.82 0.00 -0.67 -1.55 120.51 126.90 2ery n ALA 129 Ca -0.09 0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.62 2ery n ALA 129 Cb 0.50 -1.34 0.72 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.95 0.00 2.03 -1.92 -3.32 116.42 112.26 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 0.19 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.59 2ery h ASP 130 CO 0.00 0.11 2.67 0.18 -1.03 0.00 0.00 179.24 181.16 2ery n LEU 131 N -3.43 8.10 0.25 0.15 4.77 -0.60 -4.79 117.00 121.46 2ery n LEU 131 Ca -0.01 -4.78 0.08 0.00 -0.03 0.00 0.00 56.01 51.28 2ery n LEU 131 Cb 0.27 -1.41 0.63 0.00 -2.33 0.00 0.00 43.42 40.58 2ery n LEU 131 CO 0.29 2.02 0.98 -2.24 -1.33 0.00 0.00 177.39 177.11 2ery h ASP 132 N 4.75 0.00 -0.06 -1.43 3.04 -1.83 -1.19 116.42 119.70 2ery h ASP 132 Ca 0.72 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.51 2ery h ASP 132 Cb 0.32 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.61 2ery h ASP 132 CO 1.55 0.11 0.00 1.41 -2.04 0.00 0.00 179.24 180.27 2ery n HIS 133 N -4.18 0.08 -0.27 4.15 8.25 -1.26 -3.56 115.22 118.43 2ery n HIS 133 Ca -0.03 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2ery n HIS 133 Cb 0.19 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.31 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 -0.38 2.28 -2.16 -0.41 6.02 -0.46 -5.07 117.38 117.20 2ery n GLN 134 Ca 0.14 -1.34 -0.42 0.00 -0.01 0.00 0.00 57.00 55.38 2ery n GLN 134 Cb 0.16 -0.91 -0.03 0.00 1.02 0.00 0.00 30.24 30.47 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 -0.87 4.31 0.00 -1.09 0.52 -1.17 -4.39 118.95 116.26 2ery s ARG 135 Ca 0.01 2.08 0.11 0.00 -0.52 0.00 0.00 55.73 57.42 2ery s ARG 135 Cb 0.01 -3.29 -0.11 0.00 0.52 0.00 0.00 34.95 32.08 2ery s ARG 135 CO 0.00 -0.46 0.51 1.04 0.02 0.00 0.00 175.30 176.41 2ery n GLN 136 N 4.14 3.08 -4.75 3.54 6.02 0.13 -4.93 117.38 124.61 2ery n GLN 136 Ca 0.12 -0.07 -0.30 0.00 -0.01 0.00 0.00 57.00 56.74 2ery n GLN 136 Cb 0.42 -1.05 -0.17 0.00 1.02 0.00 0.00 30.24 30.46 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 -2.03 1.71 0.62 5.09 1.01 -0.67 -4.79 120.40 121.34 2ery s VAL 137 Ca 0.05 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 2ery s VAL 137 Cb 0.09 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2ery s VAL 137 CO 0.45 0.48 1.03 0.42 0.00 0.00 0.00 175.10 177.49 2ery s THR 138 N 0.70 4.52 0.24 3.92 -4.23 -1.26 -4.91 115.64 114.63 2ery s THR 138 Ca -0.12 0.89 -0.06 0.00 -1.18 0.00 0.00 61.69 61.22 2ery s THR 138 Cb -0.16 -3.74 0.24 0.00 1.34 0.00 0.00 72.50 70.18 2ery s THR 138 CO 0.03 -1.00 1.90 -0.61 -0.54 0.00 0.00 174.62 174.40 2ery h GLN 139 N -0.17 1.30 -0.48 3.99 4.15 -2.00 -1.51 115.11 120.39 2ery h GLN 139 Ca -0.45 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 58.82 2ery h GLN 139 Cb 1.19 -0.28 -0.02 0.00 0.21 0.00 0.00 27.48 28.58 2ery h GLN 139 CO 0.61 0.89 0.11 0.93 -1.93 0.00 0.00 178.83 179.44 2ery h GLU 140 N 1.33 0.73 -0.51 1.69 3.07 -1.99 -1.21 114.58 117.69 2ery h GLU 140 Ca 0.35 -0.14 -0.13 0.00 -0.50 0.00 0.00 59.36 58.94 2ery h GLU 140 Cb -0.09 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.70 2ery h GLU 140 CO -0.07 0.67 -0.18 0.93 -1.40 0.00 0.00 179.01 178.96 2ery h GLU 141 N 0.70 1.02 -0.71 2.33 5.08 -1.79 -0.28 114.58 120.93 2ery h GLU 141 Ca 0.16 -0.42 0.02 0.00 -1.00 0.00 0.00 59.36 58.12 2ery h GLU 141 Cb 0.28 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 2ery h GLU 141 CO -0.00 1.10 0.47 0.78 -1.00 0.00 0.00 179.01 180.36 2ery h GLY 142 N 0.89 1.01 1.18 -3.84 0.00 -1.00 -1.49 103.07 99.83 2ery h GLY 142 Ca 0.12 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 2ery h GLY 142 CO 0.06 0.34 0.11 1.46 0.00 0.00 0.00 176.54 178.51 2ery h GLN 143 N 0.94 1.00 -0.21 4.80 4.20 -0.98 -1.34 115.11 123.52 2ery h GLN 143 Ca 0.27 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2ery h GLN 143 Cb -0.07 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 2ery h GLN 143 CO -0.08 0.92 0.06 0.37 -0.67 0.00 0.00 178.83 179.43 2ery h GLN 144 N 0.95 0.34 -0.49 1.46 4.15 -0.78 -0.96 115.11 119.77 2ery h GLN 144 Ca 0.19 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.54 2ery h GLN 144 Cb 0.40 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 2ery h GLN 144 CO 0.01 0.45 0.32 1.25 -1.93 0.00 0.00 178.83 178.93 2ery h LEU 145 N 0.17 0.54 -0.96 -2.39 5.85 -1.12 -1.58 115.31 115.82 2ery h LEU 145 Ca 0.07 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2ery h LEU 145 Cb 0.26 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 2ery h LEU 145 CO -0.00 0.39 0.63 0.00 -0.34 0.00 0.00 178.44 179.12 2ery h ALA 146 N 1.19 1.21 -0.56 1.25 0.00 -1.10 0.26 119.26 121.50 2ery h ALA 146 Ca 0.18 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2ery h ALA 146 Cb -0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.32 2ery h ALA 146 CO -0.05 0.60 0.37 0.00 0.00 0.00 0.00 179.25 180.18 2ery h ARG 147 N 1.29 0.74 -0.38 0.00 3.08 -0.77 0.63 114.38 118.97 2ery h ARG 147 Ca 0.35 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.30 2ery h ARG 147 Cb -0.14 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.72 2ery h ARG 147 CO -0.08 0.49 -0.02 1.96 -1.07 0.00 0.00 179.97 181.25 2ery h GLN 148 N 0.76 0.61 -0.00 0.04 4.20 -0.60 -2.30 115.11 117.82 2ery h GLN 148 Ca 0.21 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2ery h GLN 148 Cb -0.08 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.62 2ery h GLN 148 CO -0.05 0.65 -0.08 1.28 -0.67 0.00 0.00 178.83 179.96 2ery n LEU 149 N -4.24 0.56 -3.78 1.46 4.77 0.02 -4.95 117.00 110.84 2ery n LEU 149 Ca 0.02 -0.08 -0.25 0.00 -0.03 0.00 0.00 56.01 55.66 2ery n LEU 149 Cb 0.28 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 2ery n LEU 149 CO 0.40 0.10 0.04 0.29 -1.33 0.00 0.00 177.39 176.89 2ery n LYS 150 N -0.78 -5.49 -4.34 3.23 4.01 0.05 -5.02 118.16 109.83 2ery n LYS 150 Ca 0.17 0.63 -0.17 0.00 -0.51 0.00 0.00 58.31 58.43 2ery n LYS 150 Cb 0.26 -5.39 -0.10 0.00 -0.51 0.00 0.00 35.03 29.29 2ery n LYS 150 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2ery s VAL 151 N -3.47 1.11 0.46 -0.18 -7.23 -0.25 -5.03 120.40 105.81 2ery s VAL 151 Ca 0.34 -2.04 -0.20 0.00 -1.81 0.00 0.00 61.98 58.26 2ery s VAL 151 Cb -0.17 -2.33 -0.10 0.00 0.56 0.00 0.00 36.38 34.34 2ery s VAL 151 CO 0.81 -0.34 0.99 0.42 -0.31 0.00 0.00 175.10 176.67 2ery s THR 152 N -3.37 4.15 -0.09 5.32 -4.23 -1.26 -4.25 115.64 111.91 2ery s THR 152 Ca 0.28 1.31 0.02 0.00 -1.18 0.00 0.00 61.69 62.12 2ery s THR 152 Cb 0.05 -3.54 -0.02 0.00 1.34 0.00 0.00 72.50 70.33 2ery s THR 152 CO 0.09 -0.32 -0.15 -0.47 -0.54 0.00 0.00 174.62 173.23 2ery s TYR 153 N -2.14 2.73 -0.01 3.99 5.04 -1.26 -1.51 117.35 124.20 2ery s TYR 153 Ca 0.64 -0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.84 2ery s TYR 153 Cb -0.12 -1.73 0.01 0.00 0.35 0.00 0.00 41.96 40.47 2ery s TYR 153 CO 0.17 -0.03 -0.00 -1.64 -1.34 0.00 0.00 175.55 172.71 2ery s MET 154 N -0.18 0.09 0.17 4.97 -1.94 -0.43 -4.99 119.30 116.99 2ery s MET 154 Ca -0.00 0.00 -0.08 0.00 -1.71 0.00 0.00 55.69 53.90 2ery s MET 154 Cb -0.13 -0.15 -0.06 0.00 2.01 0.00 0.00 34.83 36.50 2ery s MET 154 CO 0.03 -0.02 0.45 -1.21 -0.01 0.00 0.00 175.02 174.26 2ery s GLU 155 N 0.23 3.72 0.18 2.03 2.02 -1.26 -1.40 118.70 124.21 2ery s GLU 155 Ca -0.02 0.10 -0.04 0.00 0.02 0.00 0.00 54.97 55.03 2ery s GLU 155 Cb -0.03 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 2ery s GLU 155 CO -0.01 0.43 0.18 0.00 0.02 0.00 0.00 175.26 175.88 2ery s ALA 156 N -1.67 0.70 -0.13 5.21 0.00 0.09 -4.69 121.76 121.28 2ery s ALA 156 Ca 0.42 -1.39 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 2ery s ALA 156 Cb -0.12 1.11 0.06 0.00 0.00 0.00 0.00 23.12 24.17 2ery s ALA 156 CO 0.22 -0.60 0.15 0.45 0.00 0.00 0.00 175.76 175.98 2ery s SER 157 N -3.08 1.26 0.38 0.00 0.15 -0.30 -1.66 113.70 110.45 2ery s SER 157 Ca 0.29 -0.02 0.09 0.00 0.70 0.00 0.00 55.95 57.02 2ery s SER 157 Cb 0.06 0.16 0.78 0.00 -1.71 0.00 0.00 66.02 65.31 2ery s SER 157 CO 0.07 -0.29 1.91 0.00 1.20 0.00 0.00 173.24 176.13 2ery h ALA 158 N 8.37 1.50 -0.34 5.45 0.00 -1.90 0.63 119.26 132.97 2ery h ALA 158 Ca -0.14 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2ery h ALA 158 Cb 1.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2ery h ALA 158 CO 0.21 0.36 -0.13 -0.22 0.00 0.00 0.00 179.25 179.46 2ery h LYS 159 N 0.23 0.69 -0.46 0.00 3.64 -1.95 -3.16 116.57 115.56 2ery h LYS 159 Ca 0.05 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2ery h LYS 159 Cb 0.37 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2ery h LYS 159 CO 0.02 0.88 0.00 0.44 -2.27 0.00 0.00 179.45 178.52 2ery n ILE 160 N -4.37 0.79 -3.67 2.00 -5.35 -1.24 -4.94 119.36 102.58 2ery n ILE 160 Ca -0.02 -0.90 -0.21 0.00 -0.27 0.00 0.00 62.75 61.35 2ery n ILE 160 Cb 0.37 0.69 0.04 0.00 -1.74 0.00 0.00 39.64 39.00 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 1.16 -5.29 -3.32 6.28 0.63 -0.15 -4.98 116.66 110.98 2ery n ARG 161 Ca 0.18 0.66 -0.39 0.00 -0.92 0.00 0.00 57.85 57.37 2ery n ARG 161 Cb 0.53 -5.32 -0.08 0.00 0.45 0.00 0.00 32.46 28.04 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 -5.94 4.11 -1.42 -0.14 1.75 0.03 -4.42 119.30 113.27 2ery s MET 162 Ca 0.06 0.23 0.00 0.00 -1.25 0.00 0.00 55.69 54.73 2ery s MET 162 Cb -0.03 -3.60 0.00 0.00 2.84 0.00 0.00 34.83 34.04 2ery s MET 162 CO 0.80 -0.20 0.00 0.09 -0.65 0.00 0.00 175.02 175.05 2ery n ASN 163 N 5.04 -4.71 0.05 1.11 3.02 -1.26 -1.15 115.26 117.36 2ery n ASN 163 Ca -0.07 0.10 -0.04 0.00 -0.03 0.00 0.00 54.58 54.54 2ery n ASN 163 Cb 0.50 -3.76 -0.02 0.00 -0.61 0.00 0.00 39.78 35.89 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 0.09 -0.86 2.41 2.07 -1.87 -2.20 116.25 115.88 2ery h VAL 164 Ca -0.35 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.30 2ery h VAL 164 Cb 1.19 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 2ery h VAL 164 CO 0.44 0.03 0.57 0.44 0.02 0.00 0.00 177.57 179.07 2ery h ASP 165 N -1.05 0.96 -0.79 0.57 3.32 -1.92 -2.77 116.42 114.75 2ery h ASP 165 Ca -0.02 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2ery h ASP 165 Cb 0.22 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 2ery h ASP 165 CO 0.04 0.68 0.44 1.56 -1.72 0.00 0.00 179.24 180.24 2ery h GLN 166 N 1.13 1.10 -0.36 3.56 7.50 -1.97 0.88 115.11 126.96 2ery h GLN 166 Ca 0.33 -0.12 -0.02 0.00 0.50 0.00 0.00 58.65 59.34 2ery h GLN 166 Cb -0.07 -0.22 -0.02 0.00 0.05 0.00 0.00 27.48 27.22 2ery h GLN 166 CO -0.09 0.81 0.16 0.00 -1.50 0.00 0.00 178.83 178.21 2ery h ALA 167 N 1.37 0.46 -0.29 3.87 0.00 -1.10 0.12 119.26 123.70 2ery h ALA 167 Ca 0.28 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 2ery h ALA 167 Cb 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2ery h ALA 167 CO -0.05 0.03 -0.52 0.74 0.00 0.00 0.00 179.25 179.46 2ery h PHE 168 N 0.43 1.07 -0.48 0.00 0.04 -1.33 -2.26 116.94 114.42 2ery h PHE 168 Ca 0.12 -0.38 0.02 0.00 2.80 0.00 0.00 57.97 60.53 2ery h PHE 168 Cb 0.14 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 2ery h PHE 168 CO -0.01 1.20 0.29 0.45 -0.60 0.00 0.00 178.31 179.64 2ery h HIS 169 N 0.63 0.54 -0.57 -0.55 3.86 -0.73 -2.61 115.15 115.72 2ery h HIS 169 Ca 0.02 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 2ery h HIS 169 Cb 1.13 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 29.39 2ery h HIS 169 CO 0.07 0.31 0.17 1.49 0.86 0.00 0.00 177.93 180.84 2ery h GLU 170 N 0.58 0.86 -0.61 2.45 4.57 -0.63 -1.46 114.58 120.33 2ery h GLU 170 Ca 0.19 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 58.15 2ery h GLU 170 Cb 0.01 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 2ery h GLU 170 CO -0.08 0.75 0.15 1.25 -1.18 0.00 0.00 179.01 179.89 2ery h LEU 171 N 0.83 0.89 -0.66 1.64 5.85 -1.17 -1.04 115.31 121.65 2ery h LEU 171 Ca 0.19 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2ery h LEU 171 Cb 0.25 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2ery h LEU 171 CO -0.01 0.87 0.28 0.58 -0.34 0.00 0.00 178.44 179.82 2ery h VAL 172 N 0.91 1.24 -0.87 1.05 2.07 -1.01 -0.24 116.25 119.40 2ery h VAL 172 Ca 0.20 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 67.01 2ery h VAL 172 Cb 0.33 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2ery h VAL 172 CO 0.00 0.29 0.57 0.03 0.02 0.00 0.00 177.57 178.48 2ery h ARG 173 N 0.93 1.12 -0.38 1.57 3.08 -0.72 0.54 114.38 120.52 2ery h ARG 173 Ca 0.22 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 2ery h ARG 173 Cb 0.18 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2ery h ARG 173 CO -0.02 0.74 0.05 0.28 -1.07 0.00 0.00 179.97 179.95 2ery h VAL 174 N 1.15 1.24 -0.51 2.04 2.07 -0.58 -0.64 116.25 121.02 2ery h VAL 174 Ca 0.32 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.96 2ery h VAL 174 Cb -0.10 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2ery h VAL 174 CO -0.08 0.30 0.34 0.40 0.02 0.00 0.00 177.57 178.55 2ery h ILE 175 N 0.48 1.13 -0.58 4.57 2.04 -0.53 -1.66 117.51 122.96 2ery h ILE 175 Ca 0.11 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 2ery h ILE 175 Cb 0.39 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2ery h ILE 175 CO 0.01 0.13 0.35 0.03 0.00 0.00 0.00 178.15 178.66 2ery h ARG 176 N 0.69 0.79 -0.70 2.37 3.08 -0.74 -0.63 114.38 119.24 2ery h ARG 176 Ca 0.19 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.20 2ery h ARG 176 Cb -0.07 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.77 2ery h ARG 176 CO -0.04 0.57 0.44 0.87 -1.07 0.00 0.00 179.97 180.73 2ery h LYS 177 N 0.78 0.83 -0.10 0.04 6.56 -0.79 0.71 116.57 124.60 2ery h LYS 177 Ca 0.21 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.73 2ery h LYS 177 Cb -0.01 -0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 31.45 2ery h LYS 177 CO -0.04 0.55 0.01 0.74 -2.06 0.00 0.00 179.45 178.65 2ery h PHE 178 N 0.85 0.18 0.00 -1.35 -1.00 -1.02 -3.14 116.94 111.47 2ery h PHE 178 Ca 0.28 -0.03 -0.16 0.00 2.81 0.00 0.00 57.97 60.88 2ery h PHE 178 Cb 0.02 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 2ery h PHE 178 CO -0.04 0.38 -0.75 1.96 -1.61 0.00 0.00 178.31 178.25 2ery h GLN 179 N -0.07 0.00 0.00 1.51 4.20 -0.99 -3.44 115.11 116.32 2ery h GLN 179 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2ery h GLN 179 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2ery h GLN 179 CO 0.00 0.75 0.00 0.39 -0.67 0.00 0.00 178.83 179.31 2ery n GLU 180 N -3.34 0.00 -0.25 1.46 1.02 0.23 -5.08 120.64 114.68 2ery n GLU 180 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2ery n GLU 180 Cb 0.82 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.24 2ery n GLU 180 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31