#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iio s LYS 4 N 0.00 3.62 -0.09 0.00 -0.14 0.65 -4.93 119.74 118.85 3iio s LYS 4 Ca 0.00 -0.01 -0.01 0.00 -1.36 0.00 0.00 55.97 54.60 3iio s LYS 4 Cb 0.00 -3.22 -0.03 0.00 -1.68 0.00 0.00 37.83 32.90 3iio s LYS 4 CO 0.00 0.71 -0.05 0.50 -0.76 0.00 0.00 175.35 175.75 3iio s ARG 5 N -0.90 3.00 -0.28 1.68 3.52 -0.59 -4.44 118.95 120.94 3iio s ARG 5 Ca 0.17 -0.52 -0.07 0.00 -0.13 0.00 0.00 55.73 55.18 3iio s ARG 5 Cb -0.13 -2.70 -0.00 0.00 -1.56 0.00 0.00 34.95 30.56 3iio s ARG 5 CO 0.06 0.57 0.08 0.42 -0.81 0.00 0.00 175.30 175.62 3iio s ILE 6 N -0.56 4.09 0.05 4.11 -1.09 -1.26 -0.27 121.20 126.27 3iio s ILE 6 Ca 0.09 -0.52 0.02 0.00 -2.23 0.00 0.00 60.65 58.01 3iio s ILE 6 Cb -0.12 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.68 3iio s ILE 6 CO 0.02 0.17 0.09 -1.81 -1.23 0.00 0.00 174.94 172.17 3iio s ASP 7 N 1.54 5.64 -0.17 3.58 1.11 -0.67 -0.01 116.67 127.69 3iio s ASP 7 Ca 0.04 0.07 -0.02 0.00 0.18 0.00 0.00 52.55 52.82 3iio s ASP 7 Cb -0.16 -1.57 -0.01 0.00 1.07 0.00 0.00 42.92 42.25 3iio s ASP 7 CO 0.03 0.21 -0.09 0.00 1.18 0.00 0.00 175.17 176.49 3iio s ALA 8 N -1.33 2.70 -0.22 5.23 0.00 -0.73 -2.61 121.76 124.80 3iio s ALA 8 Ca 0.27 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.09 3iio s ALA 8 Cb -0.12 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 3iio s ALA 8 CO 0.20 -0.10 0.20 0.00 0.00 0.00 0.00 175.76 176.05 3iio s ALA 9 N 0.92 3.62 -0.16 0.00 0.00 -0.07 -0.34 121.76 125.72 3iio s ALA 9 Ca -0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 3iio s ALA 9 Cb -0.15 -2.34 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 3iio s ALA 9 CO -0.00 -0.13 -0.12 -0.51 0.00 0.00 0.00 175.76 175.01 3iio s LEU 10 N 0.93 2.68 0.02 0.00 1.02 0.17 -4.44 118.68 119.06 3iio s LEU 10 Ca 0.10 -0.39 -0.19 0.00 0.02 0.00 0.00 54.13 53.67 3iio s LEU 10 Cb -0.13 -1.63 -0.06 0.00 0.02 0.00 0.00 46.19 44.39 3iio s LEU 10 CO 0.04 0.09 0.54 -0.63 0.02 0.00 0.00 176.35 176.41 3iio s ILE 11 N 0.80 4.88 -0.02 -0.59 1.01 -1.26 -0.22 121.20 125.79 3iio s ILE 11 Ca -0.04 1.14 0.00 0.00 0.00 0.00 0.00 60.65 61.75 3iio s ILE 11 Cb -0.15 -3.87 0.03 0.00 0.01 0.00 0.00 42.46 38.48 3iio s ILE 11 CO 0.01 0.50 0.03 -0.69 0.00 0.00 0.00 174.94 174.78 3iio s VAL 12 N -0.69 -0.05 -0.02 2.92 1.01 0.27 -0.91 120.40 122.93 3iio s VAL 12 Ca 0.28 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.46 3iio s VAL 12 Cb -0.18 -0.07 0.01 0.00 0.00 0.00 0.00 36.38 36.14 3iio s VAL 12 CO 0.17 0.08 -0.04 -0.54 0.00 0.00 0.00 175.10 174.77 3iio s LYS 13 N 0.93 0.51 -0.41 2.72 1.02 -0.15 0.56 119.74 124.92 3iio s LYS 13 Ca -0.08 -0.10 -0.11 0.00 0.02 0.00 0.00 55.97 55.70 3iio s LYS 13 Cb -0.11 -0.55 0.01 0.00 -0.52 0.00 0.00 37.83 36.66 3iio s LYS 13 CO -0.03 -0.00 0.23 -0.40 -0.92 0.00 0.00 175.35 174.24 3iio n ASP 14 N 3.54 -1.48 0.00 2.83 5.75 -1.26 -0.70 116.55 125.23 3iio n ASP 14 Ca -0.20 -0.45 0.00 0.00 -0.01 0.00 0.00 54.79 54.13 3iio n ASP 14 Cb 0.54 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 3iio n ASP 14 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iio n GLY 15 N -1.28 0.64 3.19 6.12 0.00 -1.26 -5.01 105.19 107.59 3iio n GLY 15 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 3iio n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iio s ARG 16 N -0.12 0.92 -0.16 1.61 0.52 0.12 -4.57 118.95 117.28 3iio s ARG 16 Ca 0.00 -0.93 -0.29 0.00 -0.52 0.00 0.00 55.73 53.98 3iio s ARG 16 Cb 0.00 -0.98 -0.02 0.00 0.52 0.00 0.00 34.95 34.47 3iio s ARG 16 CO 0.00 0.23 1.38 0.08 0.02 0.00 0.00 175.30 177.01 3iio s VAL 17 N -1.12 4.07 0.05 3.52 1.01 -0.10 -0.98 120.40 126.84 3iio s VAL 17 Ca 0.01 1.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.96 3iio s VAL 17 Cb -0.09 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 3iio s VAL 17 CO 0.02 -0.16 1.14 -0.69 0.00 0.00 0.00 175.10 175.41 3iio s VAL 18 N 3.83 4.26 0.00 2.92 1.01 -0.09 -2.52 120.40 129.81 3iio s VAL 18 Ca 0.60 1.63 0.00 0.00 0.00 0.00 0.00 61.98 64.21 3iio s VAL 18 Cb -0.24 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.10 3iio s VAL 18 CO 0.20 0.13 0.00 0.29 0.00 0.00 0.00 175.10 175.72 3iio n LYS 19 N 3.89 0.00 0.00 2.72 5.02 -1.26 -4.81 118.16 123.72 3iio n LYS 19 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3iio n LYS 19 Cb 0.48 -3.20 0.00 0.00 -0.02 0.00 0.00 35.03 32.29 3iio n LYS 19 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iio n GLY 20 N -2.00 0.42 3.34 0.72 0.00 -1.05 -4.95 105.19 101.66 3iio n GLY 20 Ca 0.00 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 3iio n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iio s SER 21 N -4.00 -0.39 -0.01 1.61 1.04 -1.21 -4.88 113.70 105.87 3iio s SER 21 Ca 0.00 0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.94 3iio s SER 21 Cb 0.00 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.72 3iio s SER 21 CO 0.00 -0.38 0.71 0.59 0.98 0.00 0.00 173.24 175.14 3iio n ASN 22 N 1.75 1.81 -4.35 7.02 3.02 0.60 -4.76 115.26 120.36 3iio n ASN 22 Ca -0.18 -2.03 -0.46 0.00 -0.03 0.00 0.00 54.58 51.88 3iio n ASN 22 Cb 0.56 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 3iio n ASN 22 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3iio s PHE 23 N -0.69 3.55 0.21 3.10 0.40 -1.26 -4.91 117.98 118.38 3iio s PHE 23 Ca 0.01 -1.74 -0.06 0.00 -0.60 0.00 0.00 56.93 54.54 3iio s PHE 23 Cb 0.01 -3.90 0.17 0.00 0.51 0.00 0.00 43.02 39.81 3iio s PHE 23 CO 0.00 -1.09 1.69 1.49 0.70 0.00 0.00 175.22 178.01 3iio h GLU 24 N 8.17 0.96 0.00 0.44 4.81 -1.99 -3.14 114.58 123.84 3iio h GLU 24 Ca 0.04 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3iio h GLU 24 Cb 1.05 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3iio h GLU 24 CO 0.87 0.95 0.33 0.27 -0.73 0.00 0.00 179.01 180.70 3iio n ASN 25 N -4.19 0.14 -4.89 1.04 6.94 -1.26 -4.66 115.26 108.38 3iio n ASN 25 Ca 0.03 0.36 -0.34 0.00 -0.02 0.00 0.00 54.58 54.61 3iio n ASN 25 Cb 0.33 -0.32 -0.05 0.00 -2.36 0.00 0.00 39.78 37.39 3iio n ASN 25 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3iio s LEU 26 N -3.23 4.35 0.36 -4.53 1.43 -1.19 -5.00 118.68 110.89 3iio s LEU 26 Ca -0.01 0.54 0.07 0.00 -1.03 0.00 0.00 54.13 53.70 3iio s LEU 26 Cb 0.02 -2.80 0.76 0.00 0.03 0.00 0.00 46.19 44.20 3iio s LEU 26 CO 0.05 0.21 1.95 -0.09 0.23 0.00 0.00 176.35 178.70 3iio h ARG 27 N 3.72 0.71 -3.37 1.70 2.43 -1.91 -3.40 114.38 114.27 3iio h ARG 27 Ca -0.49 -0.04 -0.32 0.00 -0.81 0.00 0.00 59.98 58.32 3iio h ARG 27 Cb 1.19 -0.16 -0.36 0.00 -0.42 0.00 0.00 29.97 30.22 3iio h ARG 27 CO 0.68 0.47 -0.71 0.34 -1.51 0.00 0.00 179.97 179.24 3iio s ASP 28 N -6.14 0.55 0.14 -3.80 -1.08 -1.26 -5.05 116.67 100.04 3iio s ASP 28 Ca -0.10 0.11 -0.02 0.00 -0.52 0.00 0.00 52.55 52.02 3iio s ASP 28 Cb 0.20 -0.04 -0.06 0.00 -1.46 0.00 0.00 42.92 41.56 3iio s ASP 28 CO 0.77 -0.19 1.34 -1.28 0.52 0.00 0.00 175.17 176.33 3iio h SER 29 N 7.86 0.45 -0.39 -0.34 0.87 -1.84 -3.28 113.55 116.88 3iio h SER 29 Ca -0.29 -0.36 -0.09 0.00 -1.23 0.00 0.00 61.79 59.83 3iio h SER 29 Cb 1.12 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.89 3iio h SER 29 CO 0.31 1.15 0.04 0.61 -0.53 0.00 0.00 176.83 178.41 3iio n GLY 30 N 0.89 4.12 3.55 5.77 0.00 -1.26 -3.35 105.19 114.92 3iio n GLY 30 Ca -0.06 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 3iio n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iio s ASP 31 N -1.84 6.37 0.14 1.61 2.15 -1.24 -0.93 116.67 122.94 3iio s ASP 31 Ca 0.46 -0.02 -0.18 0.00 0.43 0.00 0.00 52.55 53.25 3iio s ASP 31 Cb 0.38 -2.31 0.01 0.00 -0.30 0.00 0.00 42.92 40.70 3iio s ASP 31 CO 0.08 -0.61 1.75 1.55 -0.17 0.00 0.00 175.17 177.77 3iio h PRO 32 N 8.56 0.23 -0.65 4.34 0.13 -1.91 0.27 132.00 142.97 3iio h PRO 32 Ca -0.26 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.92 3iio h PRO 32 Cb 1.11 -0.05 -0.06 0.00 0.13 0.00 0.00 31.00 32.13 3iio h PRO 32 CO 0.84 0.15 0.34 0.28 -0.23 0.00 0.00 178.00 179.38 3iio h VAL 33 N 0.24 0.93 -0.04 1.56 2.07 -1.93 1.17 116.25 120.24 3iio h VAL 33 Ca 0.13 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3iio h VAL 33 Cb 0.09 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3iio h VAL 33 CO -0.13 0.11 -0.07 -0.08 0.02 0.00 0.00 177.57 177.43 3iio h GLU 34 N 0.63 0.13 -0.98 1.57 4.81 -1.82 -0.92 114.58 118.00 3iio h GLU 34 Ca 0.30 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.51 3iio h GLU 34 Cb 0.22 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 3iio h GLU 34 CO -0.20 0.63 0.63 1.25 -0.73 0.00 0.00 179.01 180.59 3iio h LEU 35 N -0.37 1.03 -0.34 1.64 5.85 -0.20 -1.43 115.31 121.49 3iio h LEU 35 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3iio h LEU 35 Cb 0.62 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3iio h LEU 35 CO 0.02 0.67 0.08 1.23 -0.34 0.00 0.00 178.44 180.10 3iio h GLY 36 N 1.18 0.59 1.00 3.75 0.00 0.14 -0.72 103.07 109.00 3iio h GLY 36 Ca 0.41 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 3iio h GLY 36 CO -0.15 0.34 0.36 1.70 0.00 0.00 0.00 176.54 178.79 3iio h LYS 37 N 0.39 0.82 -0.89 4.80 3.64 -0.93 -1.17 116.57 123.23 3iio h LYS 37 Ca 0.11 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3iio h LYS 37 Cb 0.30 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 3iio h LYS 37 CO 0.00 0.59 0.52 0.35 -2.27 0.00 0.00 179.45 178.65 3iio h PHE 38 N 0.81 1.18 -0.28 1.91 3.57 -1.09 -1.63 116.94 121.42 3iio h PHE 38 Ca 0.22 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3iio h PHE 38 Cb -0.01 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.33 3iio h PHE 38 CO -0.02 0.79 0.01 1.88 -2.23 0.00 0.00 178.31 178.75 3iio h TYR 39 N 1.22 0.52 -0.15 0.41 0.05 -0.83 -2.76 116.97 115.43 3iio h TYR 39 Ca 0.32 -0.08 0.04 0.00 0.05 0.00 0.00 58.73 59.06 3iio h TYR 39 Cb -0.03 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 3iio h TYR 39 CO 0.00 0.61 0.12 0.66 -1.05 0.00 0.00 178.16 178.50 3iio h SER 40 N 0.28 0.00 -0.70 3.88 4.64 -1.02 -0.94 113.55 119.69 3iio h SER 40 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3iio h SER 40 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3iio h SER 40 CO 0.01 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.35 3iio n GLU 41 N -4.37 2.68 0.00 4.77 1.02 -0.63 -4.29 120.64 119.82 3iio n GLU 41 Ca 0.01 -2.54 0.00 0.00 -0.02 0.00 0.00 57.16 54.61 3iio n GLU 41 Cb 0.24 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 3iio n GLU 41 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3iio n ILE 42 N 1.53 0.14 0.00 -3.67 -6.64 -1.05 -5.04 119.36 104.64 3iio n ILE 42 Ca 0.24 -0.18 0.00 0.00 -1.77 0.00 0.00 62.75 61.03 3iio n ILE 42 Cb 0.61 1.24 0.00 0.00 -1.44 0.00 0.00 39.64 40.04 3iio n ILE 42 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3iio n GLY 43 N -0.07 0.85 3.72 3.28 0.00 -1.10 -4.07 105.19 107.81 3iio n GLY 43 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3iio n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iio s ILE 44 N -1.59 3.99 -0.09 -0.61 -1.09 -0.38 -4.88 121.20 116.54 3iio s ILE 44 Ca 0.00 1.53 -0.26 0.00 -2.23 0.00 0.00 60.65 59.69 3iio s ILE 44 Cb 0.00 -3.98 -0.27 0.00 -1.58 0.00 0.00 42.46 36.63 3iio s ILE 44 CO 0.00 0.18 0.86 0.44 -1.23 0.00 0.00 174.94 175.18 3iio h ASP 45 N 6.13 0.18 -4.76 3.58 3.32 -0.76 -3.41 116.42 120.70 3iio h ASP 45 Ca -0.43 -0.94 -0.20 0.00 0.02 0.00 0.00 57.03 55.48 3iio h ASP 45 Cb 1.21 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.55 3iio h ASP 45 CO 0.77 1.11 -0.69 -1.61 -1.72 0.00 0.00 179.24 177.10 3iio s GLU 46 N -2.47 0.76 0.00 3.56 2.02 -1.21 -4.19 118.70 117.18 3iio s GLU 46 Ca -0.17 -1.28 0.07 0.00 0.02 0.00 0.00 54.97 53.62 3iio s GLU 46 Cb -0.01 -0.11 -0.03 0.00 0.10 0.00 0.00 34.13 34.09 3iio s GLU 46 CO 0.74 -0.04 -0.23 -0.51 0.02 0.00 0.00 175.26 175.25 3iio s LEU 47 N -2.94 2.28 -0.06 1.80 1.43 -0.30 -1.78 118.68 119.11 3iio s LEU 47 Ca 0.10 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.80 3iio s LEU 47 Cb 0.05 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 3iio s LEU 47 CO -0.06 0.30 -0.23 -0.44 0.23 0.00 0.00 176.35 176.16 3iio s SER 48 N -0.92 3.28 -0.17 2.29 0.01 0.54 -0.39 113.70 118.33 3iio s SER 48 Ca 0.11 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.94 3iio s SER 48 Cb -0.10 -0.87 0.02 0.00 0.21 0.00 0.00 66.02 65.28 3iio s SER 48 CO 0.01 0.26 -0.20 -0.36 0.41 0.00 0.00 173.24 173.36 3iio s PHE 49 N -0.23 2.76 -0.31 2.43 0.08 0.81 0.42 117.98 123.94 3iio s PHE 49 Ca -0.01 -1.60 -0.05 0.00 0.12 0.00 0.00 56.93 55.39 3iio s PHE 49 Cb -0.13 -1.90 0.03 0.00 -0.57 0.00 0.00 43.02 40.45 3iio s PHE 49 CO 0.03 -0.78 0.06 -0.46 -0.10 0.00 0.00 175.22 173.97 3iio s TRP 50 N 1.21 3.20 -0.04 0.36 -0.11 0.69 -0.64 118.94 123.62 3iio s TRP 50 Ca 0.03 -1.40 -0.23 0.00 1.22 0.00 0.00 56.10 55.72 3iio s TRP 50 Cb -0.13 -2.21 -0.04 0.00 -1.50 0.00 0.00 33.47 29.58 3iio s TRP 50 CO -0.11 -0.70 0.68 0.34 -4.62 0.00 0.00 176.95 172.53 3iio s ASP 51 N 1.39 7.00 -0.19 5.86 2.15 0.64 -0.57 116.67 132.96 3iio s ASP 51 Ca -0.01 1.20 0.14 0.00 0.43 0.00 0.00 52.55 54.31 3iio s ASP 51 Cb -0.19 -2.40 0.39 0.00 -0.30 0.00 0.00 42.92 40.42 3iio s ASP 51 CO 0.01 -0.04 1.22 2.30 -0.17 0.00 0.00 175.17 178.49 3iio n ILE 52 N 3.39 2.13 -1.92 4.11 -5.35 0.19 -4.43 119.36 117.48 3iio n ILE 52 Ca -0.03 -2.81 -0.34 0.00 -0.27 0.00 0.00 62.75 59.30 3iio n ILE 52 Cb 0.51 -0.25 0.04 0.00 -1.74 0.00 0.00 39.64 38.20 3iio n ILE 52 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3iio s THR 53 N -3.10 2.98 -0.10 7.28 2.01 -1.26 -4.87 115.64 118.59 3iio s THR 53 Ca 0.37 0.53 -0.16 0.00 0.31 0.00 0.00 61.69 62.74 3iio s THR 53 Cb 0.34 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.68 3iio s THR 53 CO -0.02 -0.21 0.40 0.00 -0.69 0.00 0.00 174.62 174.10 3iio s ALA 54 N -1.98 3.57 0.34 7.40 0.00 -1.26 -4.63 121.76 125.21 3iio s ALA 54 Ca 0.72 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.11 3iio s ALA 54 Cb -0.24 -2.49 -0.11 0.00 0.00 0.00 0.00 23.12 20.28 3iio s ALA 54 CO 0.36 0.16 1.45 -1.54 0.00 0.00 0.00 175.76 176.19 3iio s SER 55 N 0.12 6.48 0.00 0.00 1.04 -1.26 -0.56 113.70 119.52 3iio s SER 55 Ca 0.22 2.92 0.29 0.00 0.48 0.00 0.00 55.95 59.86 3iio s SER 55 Cb -0.15 -2.66 1.27 0.00 0.10 0.00 0.00 66.02 64.59 3iio s SER 55 CO 0.09 -0.78 1.92 1.33 0.98 0.00 0.00 173.24 176.78 3iio n VAL 56 N 0.90 0.00 -0.21 5.02 0.24 -1.26 -4.88 118.33 118.15 3iio n VAL 56 Ca 0.02 -0.01 -0.08 0.00 -2.04 0.00 0.00 64.34 62.24 3iio n VAL 56 Cb 0.40 -0.41 0.06 0.00 -1.47 0.00 0.00 33.84 32.42 3iio n VAL 56 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3iio h GLU 57 N 0.05 1.05 -0.83 7.34 4.39 -1.22 -3.37 114.58 121.98 3iio h GLU 57 Ca 0.00 -0.30 0.07 0.00 0.34 0.00 0.00 59.36 59.47 3iio h GLU 57 Cb 0.42 -0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 28.86 3iio h GLU 57 CO 0.00 1.00 -0.49 1.17 -1.16 0.00 0.00 179.01 179.52 3iio n LYS 58 N -4.20 -0.37 0.29 2.33 4.81 -0.82 -1.94 118.16 118.27 3iio n LYS 58 Ca 0.04 1.37 -0.17 0.00 -0.87 0.00 0.00 58.31 58.69 3iio n LYS 58 Cb 0.32 -2.02 -0.08 0.00 0.02 0.00 0.00 35.03 33.26 3iio n LYS 58 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3iio h ARG 59 N 0.00 -0.77 -0.60 1.64 2.43 -1.91 -0.48 114.38 114.69 3iio h ARG 59 Ca 0.13 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.47 3iio h ARG 59 Cb 0.34 0.17 -0.12 0.00 -0.42 0.00 0.00 29.97 29.95 3iio h ARG 59 CO -0.78 -0.51 -0.30 -0.22 -1.51 0.00 0.00 179.97 176.65 3iio h LYS 60 N -0.80 -0.13 0.02 0.20 3.64 -1.79 -2.21 116.57 115.50 3iio h LYS 60 Ca -0.05 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3iio h LYS 60 Cb 0.66 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3iio h LYS 60 CO 0.04 -0.08 -0.07 1.15 -2.27 0.00 0.00 179.45 178.21 3iio h THR 61 N -0.13 0.81 -0.80 1.00 2.02 -0.69 -1.94 112.91 113.18 3iio h THR 61 Ca 0.25 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.41 3iio h THR 61 Cb 0.54 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 3iio h THR 61 CO -0.68 0.00 0.41 0.24 0.37 0.00 0.00 175.52 175.86 3iio h MET 62 N -0.14 1.14 -0.38 6.66 2.86 -1.05 -0.24 114.93 123.78 3iio h MET 62 Ca 0.02 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3iio h MET 62 Cb 0.16 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3iio h MET 62 CO -0.06 0.86 0.23 -0.07 1.06 0.00 0.00 176.91 178.92 3iio h LEU 63 N 1.12 0.45 -0.15 1.22 3.38 -1.10 -1.86 115.31 118.38 3iio h LEU 63 Ca 0.28 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 58.01 3iio h LEU 63 Cb 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3iio h LEU 63 CO -0.04 0.34 -0.98 -0.33 0.09 0.00 0.00 178.44 177.52 3iio h GLU 64 N 0.52 0.24 0.24 1.13 5.08 -0.71 -2.17 114.58 118.91 3iio h GLU 64 Ca 0.14 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3iio h GLU 64 Cb -0.02 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3iio h GLU 64 CO -0.03 1.05 -0.12 1.25 -1.00 0.00 0.00 179.01 180.17 3iio h LEU 65 N 0.12 -0.28 -0.88 1.33 5.85 -0.60 -2.31 115.31 118.54 3iio h LEU 65 Ca -0.07 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 3iio h LEU 65 Cb 1.64 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.72 3iio h LEU 65 CO 0.16 -0.04 0.06 -0.37 -0.34 0.00 0.00 178.44 177.91 3iio h VAL 66 N -0.51 1.24 0.02 1.05 -1.51 -1.44 0.57 116.25 115.67 3iio h VAL 66 Ca -0.03 -0.97 0.00 0.00 -1.23 0.00 0.00 66.70 64.46 3iio h VAL 66 Cb 0.38 0.77 -0.00 0.00 -2.13 0.00 0.00 31.29 30.31 3iio h VAL 66 CO 0.05 0.35 -0.04 -0.08 -1.23 0.00 0.00 177.57 176.63 3iio h GLU 67 N 0.83 -0.06 -0.01 5.19 4.81 -1.41 -0.77 114.58 123.16 3iio h GLU 67 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3iio h GLU 67 Cb 0.41 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 3iio h GLU 67 CO 0.01 -0.04 0.01 -0.22 -0.73 0.00 0.00 179.01 178.04 3iio h LYS 68 N -0.06 0.00 -0.13 1.92 3.64 -1.29 -1.94 116.57 118.71 3iio h LYS 68 Ca -0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 3iio h LYS 68 Cb 0.06 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3iio h LYS 68 CO -0.02 0.00 -0.69 0.28 -2.27 0.00 0.00 179.45 176.76 3iio h VAL 69 N 0.00 1.31 -0.24 2.00 2.07 -0.82 -3.32 116.25 117.25 3iio h VAL 69 Ca 0.00 -1.93 -0.07 0.00 0.82 0.00 0.00 66.70 65.53 3iio h VAL 69 Cb 0.01 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3iio h VAL 69 CO -0.00 0.60 -0.14 0.00 0.02 0.00 0.00 177.57 178.05 3iio h ALA 70 N 0.52 1.31 0.00 1.67 0.00 -0.32 -2.79 119.26 119.65 3iio h ALA 70 Ca -0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3iio h ALA 70 Cb 1.32 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3iio h ALA 70 CO 0.14 0.46 -0.01 0.93 0.00 0.00 0.00 179.25 180.77 3iio h GLU 71 N 0.38 0.00 0.00 0.00 5.08 -1.62 -3.32 114.58 115.09 3iio h GLU 71 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3iio h GLU 71 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3iio h GLU 71 CO 0.03 0.01 0.00 1.04 -1.00 0.00 0.00 179.01 179.09 3iio n GLN 72 N -3.12 1.02 -5.11 2.33 6.02 -1.10 -5.06 117.38 112.36 3iio n GLN 72 Ca -0.00 -0.34 -0.30 0.00 -0.01 0.00 0.00 57.00 56.35 3iio n GLN 72 Cb 0.27 -0.83 -0.17 0.00 1.02 0.00 0.00 30.24 30.54 3iio n GLN 72 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3iio s ILE 73 N -0.24 1.87 -1.44 5.09 1.09 -1.07 -4.90 121.20 121.60 3iio s ILE 73 Ca 0.00 -0.93 0.19 0.00 -1.10 0.00 0.00 60.65 58.81 3iio s ILE 73 Cb 0.00 -1.61 -0.07 0.00 -1.06 0.00 0.00 42.46 39.71 3iio s ILE 73 CO 0.00 0.52 0.90 -0.90 -0.10 0.00 0.00 174.94 175.36 3iio n ASP 74 N 3.38 1.49 -5.00 3.58 5.75 -1.26 -4.86 116.55 119.63 3iio n ASP 74 Ca -0.19 -1.25 -0.18 0.00 -0.01 0.00 0.00 54.79 53.16 3iio n ASP 74 Cb 0.53 0.66 0.00 0.00 -1.03 0.00 0.00 41.12 41.27 3iio n ASP 74 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3iio s ILE 75 N -2.37 3.62 0.38 2.12 -4.36 -1.26 -5.09 121.20 114.25 3iio s ILE 75 Ca 0.13 -1.00 -0.26 0.00 -0.26 0.00 0.00 60.65 59.25 3iio s ILE 75 Cb 0.15 -3.24 -0.09 0.00 1.25 0.00 0.00 42.46 40.53 3iio s ILE 75 CO 0.58 -0.09 1.23 -2.84 0.24 0.00 0.00 174.94 174.05 3iio s PRO 76 N -4.24 4.12 -0.05 0.37 0.02 -1.26 -4.95 135.00 129.00 3iio s PRO 76 Ca 0.49 2.00 -0.06 0.00 0.02 0.00 0.00 61.00 63.45 3iio s PRO 76 Cb -0.10 -2.80 0.01 0.00 0.02 0.00 0.00 34.50 31.63 3iio s PRO 76 CO 0.32 -0.31 0.16 -0.59 -0.33 0.00 0.00 177.00 176.24 3iio s PHE 77 N -1.30 -0.14 -0.09 6.54 -0.12 -1.26 -1.16 117.98 120.45 3iio s PHE 77 Ca 0.55 0.35 -0.01 0.00 -0.05 0.00 0.00 56.93 57.76 3iio s PHE 77 Cb -0.35 0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.06 3iio s PHE 77 CO 0.44 -0.11 -0.02 0.99 -0.05 0.00 0.00 175.22 176.47 3iio s THR 78 N -0.11 4.12 0.04 -4.49 2.01 0.47 -2.47 115.64 115.20 3iio s THR 78 Ca -0.02 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 61.70 3iio s THR 78 Cb -0.02 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 3iio s THR 78 CO 0.00 0.60 -0.06 0.68 -0.69 0.00 0.00 174.62 175.15 3iio s VAL 79 N -0.78 3.71 0.38 3.82 -7.23 -0.40 -0.14 120.40 119.76 3iio s VAL 79 Ca 0.12 -0.89 -0.11 0.00 -1.81 0.00 0.00 61.98 59.29 3iio s VAL 79 Cb -0.11 -2.67 0.04 0.00 0.56 0.00 0.00 36.38 34.20 3iio s VAL 79 CO 0.02 0.29 0.69 -0.83 -0.31 0.00 0.00 175.10 174.97 3iio s GLY 80 N -1.73 0.75 0.00 2.32 0.00 0.19 0.58 107.32 109.43 3iio s GLY 80 Ca 0.20 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.90 3iio s GLY 80 CO 0.11 -0.54 0.00 0.61 0.00 0.00 0.00 173.10 173.28 3iio n GLY 81 N -0.55 1.34 2.40 0.20 0.00 -1.26 -0.26 105.19 107.06 3iio n GLY 81 Ca -0.06 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 3iio n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iio n GLY 82 N 0.09 0.11 3.45 -0.02 0.00 -1.26 -4.67 105.19 102.89 3iio n GLY 82 Ca 0.00 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 3iio n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iio s ILE 83 N -2.91 4.49 -0.77 -0.61 1.01 -1.26 -4.88 121.20 116.26 3iio s ILE 83 Ca 0.18 -0.34 0.11 0.00 0.00 0.00 0.00 60.65 60.59 3iio s ILE 83 Cb -0.08 -4.57 -0.06 0.00 0.01 0.00 0.00 42.46 37.76 3iio s ILE 83 CO 0.22 -1.25 0.57 1.41 0.00 0.00 0.00 174.94 175.89 3iio n HIS 84 N 7.24 0.00 -3.84 3.97 8.25 -1.26 -4.67 115.22 124.91 3iio n HIS 84 Ca -0.04 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.34 3iio n HIS 84 Cb 0.45 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.53 3iio n HIS 84 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 3iio s ASP 85 N -1.73 -0.24 0.21 0.41 1.47 -1.26 -4.93 116.67 110.60 3iio s ASP 85 Ca 0.07 -0.62 -0.10 0.00 1.18 0.00 0.00 52.55 53.08 3iio s ASP 85 Cb 0.09 0.66 0.28 0.00 -0.34 0.00 0.00 42.92 43.60 3iio s ASP 85 CO 0.36 -1.22 1.73 0.15 0.68 0.00 0.00 175.17 176.87 3iio h PHE 86 N 2.10 0.34 -0.81 2.11 3.57 -1.96 -2.54 116.94 119.75 3iio h PHE 86 Ca -0.23 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.36 3iio h PHE 86 Cb 1.26 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.88 3iio h PHE 86 CO 0.39 0.07 0.53 0.93 -2.23 0.00 0.00 178.31 178.00 3iio h GLU 87 N 0.37 0.85 0.01 1.11 4.39 -1.98 0.62 114.58 119.94 3iio h GLU 87 Ca 0.31 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 3iio h GLU 87 Cb 0.40 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3iio h GLU 87 CO -0.33 0.56 -0.00 1.15 -1.16 0.00 0.00 179.01 179.23 3iio h THR 88 N 0.87 1.51 -0.13 1.13 2.02 -1.92 -2.25 112.91 114.15 3iio h THR 88 Ca 0.35 -1.63 0.04 0.00 0.77 0.00 0.00 66.41 65.95 3iio h THR 88 Cb 0.25 2.60 -0.05 0.00 -1.74 0.00 0.00 68.15 69.22 3iio h THR 88 CO -0.13 0.42 -0.15 0.00 0.37 0.00 0.00 175.52 176.03 3iio h ALA 89 N 0.25 -0.08 -0.24 6.16 0.00 -1.25 -2.65 119.26 121.46 3iio h ALA 89 Ca -0.00 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3iio h ALA 89 Cb 0.69 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 3iio h ALA 89 CO 0.00 -0.60 -0.43 1.03 0.00 0.00 0.00 179.25 179.25 3iio h SER 90 N -0.19 -1.38 -0.91 0.00 0.87 0.21 -0.30 113.55 111.84 3iio h SER 90 Ca 0.09 0.19 0.06 0.00 -1.23 0.00 0.00 61.79 60.91 3iio h SER 90 Cb 0.32 0.58 -0.06 0.00 -0.44 0.00 0.00 62.40 62.80 3iio h SER 90 CO -0.24 -0.41 0.57 1.05 -0.53 0.00 0.00 176.83 177.28 3iio h GLU 91 N -0.43 1.01 -0.41 2.24 4.11 -1.43 -1.08 114.58 118.59 3iio h GLU 91 Ca 0.10 -0.06 -0.14 0.00 0.07 0.00 0.00 59.36 59.32 3iio h GLU 91 Cb 0.61 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3iio h GLU 91 CO -0.47 0.67 -0.31 -0.07 0.07 0.00 0.00 179.01 178.90 3iio h LEU 92 N 1.04 0.96 0.41 3.06 3.38 -1.00 -0.73 115.31 122.44 3iio h LEU 92 Ca 0.40 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3iio h LEU 92 Cb 0.17 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3iio h LEU 92 CO -0.17 1.19 -0.20 0.40 0.09 0.00 0.00 178.44 179.75 3iio h ILE 93 N 0.77 0.36 -1.15 1.22 2.04 -0.79 -2.41 117.51 117.56 3iio h ILE 93 Ca 0.08 -0.62 0.38 0.00 1.00 0.00 0.00 64.86 65.70 3iio h ILE 93 Cb 0.89 0.56 -0.14 0.00 -0.74 0.00 0.00 36.82 37.39 3iio h ILE 93 CO 0.08 0.07 0.70 -0.07 0.00 0.00 0.00 178.15 178.94 3iio h LEU 94 N -1.00 0.36 -0.11 1.44 3.38 -1.22 0.10 115.31 118.26 3iio h LEU 94 Ca -0.06 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3iio h LEU 94 Cb 0.54 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3iio h LEU 94 CO 0.09 -0.18 -0.00 -1.14 0.09 0.00 0.00 178.44 177.30 3iio n ARG 95 N -4.87 1.01 0.00 1.13 3.00 -0.28 -4.86 116.66 111.79 3iio n ARG 95 Ca 0.34 -0.11 0.00 0.00 -0.00 0.00 0.00 57.85 58.08 3iio n ARG 95 Cb 1.22 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 32.18 3iio n ARG 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3iio n GLY 96 N 1.05 0.28 3.70 5.14 0.00 0.33 -3.92 105.19 111.77 3iio n GLY 96 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3iio n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iio s ALA 97 N -0.86 3.45 0.12 4.61 0.00 -0.92 -4.76 121.76 123.41 3iio s ALA 97 Ca 0.00 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 52.62 3iio s ALA 97 Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 3iio s ALA 97 CO 0.00 -0.59 1.48 -0.44 0.00 0.00 0.00 175.76 176.21 3iio h ASP 98 N 7.12 0.81 -5.01 0.00 3.32 -1.79 -3.41 116.42 117.46 3iio h ASP 98 Ca -0.39 -0.42 -0.16 0.00 0.02 0.00 0.00 57.03 56.08 3iio h ASP 98 Cb 1.19 -0.22 -0.20 0.00 0.22 0.00 0.00 39.33 40.32 3iio h ASP 98 CO 0.84 1.05 -0.68 -0.54 -1.72 0.00 0.00 179.24 178.19 3iio s LYS 99 N -4.57 0.35 -0.10 3.56 1.02 -1.04 -4.41 119.74 114.55 3iio s LYS 99 Ca -0.12 -0.66 0.01 0.00 0.02 0.00 0.00 55.97 55.21 3iio s LYS 99 Cb 0.10 0.13 -0.02 0.00 -0.52 0.00 0.00 37.83 37.51 3iio s LYS 99 CO 0.83 -0.06 -0.11 0.14 -0.92 0.00 0.00 175.35 175.23 3iio s VAL 100 N -1.71 3.32 -0.30 3.17 -7.23 -0.29 -1.28 120.40 116.08 3iio s VAL 100 Ca -0.14 -0.60 -0.12 0.00 -1.81 0.00 0.00 61.98 59.31 3iio s VAL 100 Cb -0.08 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 3iio s VAL 100 CO -0.02 0.55 0.24 -0.70 -0.31 0.00 0.00 175.10 174.87 3iio s GLU 101 N -0.20 3.79 0.03 4.82 2.12 0.20 -1.86 118.70 127.59 3iio s GLU 101 Ca 0.01 -0.38 0.08 0.00 0.36 0.00 0.00 54.97 55.04 3iio s GLU 101 Cb -0.13 -3.72 -0.03 0.00 0.26 0.00 0.00 34.13 30.51 3iio s GLU 101 CO 0.03 -0.30 -0.24 0.96 -0.54 0.00 0.00 175.26 175.17 3iio s ILE 102 N 1.81 2.31 0.00 -3.70 -4.36 -0.29 -4.31 121.20 112.66 3iio s ILE 102 Ca 0.08 -1.27 0.00 0.00 -0.26 0.00 0.00 60.65 59.21 3iio s ILE 102 Cb -0.16 -1.90 0.00 0.00 1.25 0.00 0.00 42.46 41.65 3iio s ILE 102 CO 0.11 0.41 0.00 -3.20 0.24 0.00 0.00 174.94 172.50 3iio n ASN 103 N 1.87 0.00 -0.33 4.36 2.85 -1.26 -1.97 115.26 120.78 3iio n ASN 103 Ca -0.17 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.33 3iio n ASN 103 Cb 0.52 0.00 0.16 0.00 1.24 0.00 0.00 39.78 41.70 3iio n ASN 103 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3iio h THR 104 N 0.00 1.02 -0.21 -0.44 2.02 -1.93 -1.68 112.91 111.69 3iio h THR 104 Ca 0.00 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 3iio h THR 104 Cb 0.00 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.33 3iio h THR 104 CO 0.00 0.18 -0.21 0.00 0.37 0.00 0.00 175.52 175.86 3iio h ALA 105 N 1.44 1.26 -0.15 6.16 0.00 -1.92 -2.63 119.26 123.42 3iio h ALA 105 Ca 0.41 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3iio h ALA 105 Cb 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3iio h ALA 105 CO -0.19 0.49 -0.16 0.00 0.00 0.00 0.00 179.25 179.39 3iio h ALA 106 N 1.45 0.22 -0.73 0.00 0.00 -1.53 -1.75 119.26 116.91 3iio h ALA 106 Ca 0.06 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.67 3iio h ALA 106 Cb 0.56 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3iio h ALA 106 CO 0.04 0.12 0.46 0.28 0.00 0.00 0.00 179.25 180.15 3iio h VAL 107 N 0.00 1.10 -0.41 0.00 2.07 -1.45 0.14 116.25 117.70 3iio h VAL 107 Ca 0.02 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 3iio h VAL 107 Cb 0.70 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3iio h VAL 107 CO 0.04 0.16 -0.14 -0.33 0.02 0.00 0.00 177.57 177.32 3iio h GLU 108 N 0.90 0.76 -2.07 1.57 5.08 -1.49 -3.38 114.58 115.96 3iio h GLU 108 Ca 0.29 -0.26 -0.43 0.00 -1.00 0.00 0.00 59.36 57.96 3iio h GLU 108 Cb 0.02 -0.06 -0.33 0.00 0.50 0.00 0.00 28.75 28.88 3iio h GLU 108 CO -0.11 0.86 -0.76 1.21 -1.00 0.00 0.00 179.01 179.22 3iio s ASN 109 N -6.72 1.36 0.39 1.42 2.47 -0.66 -5.01 114.94 108.19 3iio s ASN 109 Ca -0.09 -1.98 0.27 0.00 0.42 0.00 0.00 52.86 51.48 3iio s ASN 109 Cb 0.14 0.30 1.42 0.00 -1.45 0.00 0.00 41.25 41.66 3iio s ASN 109 CO 0.82 -0.24 1.82 -0.65 -3.72 0.00 0.00 177.10 175.14 3iio h PRO 110 N 6.64 0.00 -0.02 0.43 0.11 -0.91 -0.84 132.00 137.40 3iio h PRO 110 Ca 0.09 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.21 3iio h PRO 110 Cb 1.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3iio h PRO 110 CO 0.22 0.00 0.02 1.03 -0.21 0.00 0.00 178.00 179.06 3iio h SER 111 N 0.00 0.00 -0.93 -2.05 0.87 -1.93 -2.39 113.55 107.12 3iio h SER 111 Ca 0.00 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 3iio h SER 111 Cb 0.05 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.96 3iio h SER 111 CO 0.00 0.00 0.61 0.25 -0.53 0.00 0.00 176.83 177.16 3iio h LEU 112 N 0.00 0.98 -0.43 2.23 5.85 -1.48 -1.27 115.31 121.19 3iio h LEU 112 Ca 0.01 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3iio h LEU 112 Cb 0.04 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 3iio h LEU 112 CO -0.00 0.66 0.13 0.40 -0.34 0.00 0.00 178.44 179.28 3iio h ILE 113 N 1.13 0.83 -0.49 4.05 2.04 -1.63 -2.69 117.51 120.75 3iio h ILE 113 Ca 0.38 -0.10 -0.11 0.00 1.00 0.00 0.00 64.86 66.04 3iio h ILE 113 Cb 0.09 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3iio h ILE 113 CO -0.13 0.05 -0.11 0.74 0.00 0.00 0.00 178.15 178.71 3iio h THR 114 N 0.28 1.27 -0.30 -0.27 2.02 -1.38 -2.09 112.91 112.43 3iio h THR 114 Ca 0.20 -1.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.15 3iio h THR 114 Cb 0.22 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3iio h THR 114 CO -0.23 0.43 0.18 1.56 0.37 0.00 0.00 175.52 177.83 3iio h GLN 115 N 0.79 0.41 -0.50 6.66 4.20 -1.13 0.04 115.11 125.58 3iio h GLN 115 Ca 0.13 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 3iio h GLN 115 Cb 0.66 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3iio h GLN 115 CO 0.05 0.31 -0.17 0.82 -0.67 0.00 0.00 178.83 179.17 3iio h ILE 116 N 0.39 1.27 0.00 2.54 2.04 -1.52 -3.19 117.51 119.04 3iio h ILE 116 Ca 0.11 -1.33 -0.09 0.00 1.00 0.00 0.00 64.86 64.55 3iio h ILE 116 Cb 0.00 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3iio h ILE 116 CO -0.02 0.46 -0.43 0.00 0.00 0.00 0.00 178.15 178.16 3iio h ALA 117 N 0.93 1.15 0.00 1.87 0.00 -0.96 -1.60 119.26 120.65 3iio h ALA 117 Ca 0.12 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3iio h ALA 117 Cb 0.74 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3iio h ALA 117 CO 0.06 0.54 -0.19 1.96 0.00 0.00 0.00 179.25 181.62 3iio h GLN 118 N 0.00 0.00 0.00 0.00 4.20 -0.99 -2.03 115.11 116.30 3iio h GLN 118 Ca -0.00 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 58.28 3iio h GLN 118 Cb 0.83 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.54 3iio h GLN 118 CO 0.06 0.19 -2.42 2.41 -0.67 0.00 0.00 178.83 178.39 3iio n THR 119 N -3.31 1.53 0.32 -0.54 -1.04 -1.11 -4.70 114.28 105.44 3iio n THR 119 Ca 0.01 -0.42 0.06 0.00 -2.04 0.00 0.00 64.05 61.66 3iio n THR 119 Cb 0.43 -1.77 0.09 0.00 -1.82 0.00 0.00 70.33 67.26 3iio n THR 119 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3iio n PHE 120 N -3.98 0.15 0.00 -1.42 3.72 -0.62 -5.09 117.46 110.21 3iio n PHE 120 Ca -0.50 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 56.76 3iio n PHE 120 Cb 0.91 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 3iio n PHE 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iio n GLY 121 N 0.69 -2.58 0.34 1.37 0.00 -0.76 -4.16 105.19 100.08 3iio n GLY 121 Ca 0.09 -1.33 0.17 0.00 0.00 0.00 0.00 46.02 44.95 3iio n GLY 121 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3iio h SER 122 N 0.00 0.59 -1.40 1.61 0.02 -1.75 -1.73 113.55 110.88 3iio h SER 122 Ca 0.00 0.15 0.42 0.00 -0.84 0.00 0.00 61.79 61.51 3iio h SER 122 Cb 0.00 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.52 3iio h SER 122 CO 0.00 0.06 0.97 1.56 -1.14 0.00 0.00 176.83 178.28 3iio h GLN 123 N 0.52 0.08 -0.00 3.45 4.20 -1.89 -0.54 115.11 120.93 3iio h GLN 123 Ca 0.63 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.34 3iio h GLN 123 Cb 1.23 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3iio h GLN 123 CO -0.50 0.05 -0.19 0.00 -0.67 0.00 0.00 178.83 177.52 3iio n ALA 124 N -2.70 2.89 -3.41 3.87 0.00 -0.65 -4.77 120.51 115.74 3iio n ALA 124 Ca 0.33 -0.27 -0.35 0.00 0.00 0.00 0.00 53.44 53.16 3iio n ALA 124 Cb 1.44 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 19.46 3iio n ALA 124 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iio s VAL 125 N -2.70 3.36 -0.16 0.00 1.01 -0.30 -1.13 120.40 120.49 3iio s VAL 125 Ca 0.21 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3iio s VAL 125 Cb 0.19 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 34.08 3iio s VAL 125 CO 0.54 0.44 -0.19 -0.69 0.00 0.00 0.00 175.10 175.20 3iio s VAL 126 N 1.24 1.93 -0.35 2.92 1.01 -0.78 -1.71 120.40 124.65 3iio s VAL 126 Ca 0.03 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 3iio s VAL 126 Cb -0.14 -1.74 -0.00 0.00 0.00 0.00 0.00 36.38 34.49 3iio s VAL 126 CO -0.02 0.52 0.23 -0.69 0.00 0.00 0.00 175.10 175.14 3iio s VAL 127 N 1.14 5.03 -0.13 2.92 1.01 -0.63 -1.14 120.40 128.59 3iio s VAL 127 Ca -0.00 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 3iio s VAL 127 Cb -0.14 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 3iio s VAL 127 CO -0.08 -0.09 1.10 -0.47 0.00 0.00 0.00 175.10 175.56 3iio s TYR 128 N 1.67 3.30 -0.23 5.22 5.04 -0.83 -2.13 117.35 129.38 3iio s TYR 128 Ca 0.05 1.39 -0.03 0.00 -2.44 0.00 0.00 57.07 56.04 3iio s TYR 128 Cb -0.18 -3.31 0.01 0.00 0.35 0.00 0.00 41.96 38.83 3iio s TYR 128 CO 0.09 -0.75 -0.05 0.42 -1.34 0.00 0.00 175.55 173.92 3iio s ILE 129 N 2.56 3.18 -0.22 3.14 1.01 0.16 -4.53 121.20 126.49 3iio s ILE 129 Ca 0.50 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 3iio s ILE 129 Cb -0.19 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 3iio s ILE 129 CO 0.15 0.33 0.14 0.00 0.00 0.00 0.00 174.94 175.56 3iio s ALA 130 N 1.42 3.62 0.04 9.38 0.00 -1.26 -0.69 121.76 134.26 3iio s ALA 130 Ca 0.04 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 3iio s ALA 130 Cb -0.15 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 3iio s ALA 130 CO -0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 175.76 175.68 3iio s ALA 131 N 0.69 0.33 -0.06 0.00 0.00 -0.29 -0.52 121.76 121.92 3iio s ALA 131 Ca 0.07 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 51.09 3iio s ALA 131 Cb -0.12 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3iio s ALA 131 CO 0.01 -0.22 0.22 0.21 0.00 0.00 0.00 175.76 175.98 3iio s LYS 132 N -2.44 0.38 -0.04 0.00 2.20 -0.82 -1.37 119.74 117.64 3iio s LYS 132 Ca -0.06 0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.34 3iio s LYS 132 Cb -0.03 0.17 -0.05 0.00 -1.51 0.00 0.00 37.83 36.42 3iio s LYS 132 CO -0.04 -0.07 1.39 1.03 -0.36 0.00 0.00 175.35 177.30 3iio s ARG 133 N -0.42 4.27 -0.12 4.03 0.52 -1.26 -1.28 118.95 124.68 3iio s ARG 133 Ca -0.05 1.92 -0.02 0.00 -0.52 0.00 0.00 55.73 57.05 3iio s ARG 133 Cb -0.03 -3.66 0.04 0.00 0.52 0.00 0.00 34.95 31.81 3iio s ARG 133 CO 0.01 -0.62 0.02 0.08 0.02 0.00 0.00 175.30 174.81 3iio s VAL 134 N 2.80 0.37 -1.55 3.52 1.01 0.42 -4.81 120.40 122.17 3iio s VAL 134 Ca 0.63 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.33 3iio s VAL 134 Cb -0.29 -0.69 0.13 0.00 0.00 0.00 0.00 36.38 35.53 3iio s VAL 134 CO 0.24 0.05 0.71 0.47 0.00 0.00 0.00 175.10 176.58 3iio n ASP 135 N 5.13 -3.48 0.00 3.32 8.00 -1.26 -0.46 116.55 127.80 3iio n ASP 135 Ca -0.08 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.62 3iio n ASP 135 Cb 0.49 -2.85 0.00 0.00 -0.02 0.00 0.00 41.12 38.73 3iio n ASP 135 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iio n GLY 136 N -1.33 1.47 3.75 0.44 0.00 -1.26 -5.05 105.19 103.22 3iio n GLY 136 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3iio n GLY 136 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iio s GLU 137 N -0.20 3.40 -0.19 1.61 0.41 0.40 -5.06 118.70 119.06 3iio s GLU 137 Ca 0.00 -0.28 -0.29 0.00 -0.41 0.00 0.00 54.97 53.99 3iio s GLU 137 Cb 0.00 -3.06 -0.02 0.00 -1.78 0.00 0.00 34.13 29.28 3iio s GLU 137 CO 0.00 0.64 1.36 -0.06 -0.49 0.00 0.00 175.26 176.70 3iio s PHE 138 N -0.66 2.63 0.05 1.61 0.08 -1.26 -0.43 117.98 119.99 3iio s PHE 138 Ca 0.12 0.83 0.08 0.00 0.12 0.00 0.00 56.93 58.08 3iio s PHE 138 Cb -0.12 -3.70 -0.03 0.00 -0.57 0.00 0.00 43.02 38.60 3iio s PHE 138 CO 0.02 -2.09 -0.21 -1.64 -0.10 0.00 0.00 175.22 171.20 3iio s MET 139 N 3.84 1.94 0.03 0.44 -1.94 -0.41 -1.39 119.30 121.81 3iio s MET 139 Ca 0.59 -1.05 -0.26 0.00 -1.71 0.00 0.00 55.69 53.26 3iio s MET 139 Cb -0.22 -2.11 -0.05 0.00 2.01 0.00 0.00 34.83 34.46 3iio s MET 139 CO 0.20 0.52 0.82 0.08 -0.01 0.00 0.00 175.02 176.63 3iio s VAL 140 N -0.91 4.78 0.01 -6.03 1.01 0.22 -1.95 120.40 117.52 3iio s VAL 140 Ca 0.14 1.73 0.09 0.00 0.00 0.00 0.00 61.98 63.93 3iio s VAL 140 Cb -0.10 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 3iio s VAL 140 CO 0.05 0.30 -0.26 -0.36 0.00 0.00 0.00 175.10 174.83 3iio s PHE 141 N 0.28 2.34 0.39 5.22 0.40 0.32 -1.48 117.98 125.45 3iio s PHE 141 Ca 0.42 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.34 3iio s PHE 141 Cb -0.20 -1.45 -0.00 0.00 0.51 0.00 0.00 43.02 41.87 3iio s PHE 141 CO 0.24 0.05 0.04 0.25 0.70 0.00 0.00 175.22 176.50 3iio n THR 142 N 2.09 0.00 -3.61 0.64 -2.24 0.34 -4.31 114.28 107.19 3iio n THR 142 Ca -0.16 -1.99 -0.20 0.00 -2.27 0.00 0.00 64.05 59.42 3iio n THR 142 Cb 0.51 0.51 0.05 0.00 -2.10 0.00 0.00 70.33 69.31 3iio n THR 142 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3iio n TYR 143 N -0.95 -2.03 -3.43 4.78 4.01 -1.26 -1.42 117.16 116.87 3iio n TYR 143 Ca -0.13 0.88 -0.17 0.00 -0.16 0.00 0.00 57.90 58.32 3iio n TYR 143 Cb 0.53 -4.65 0.09 0.00 -0.31 0.00 0.00 39.34 35.00 3iio n TYR 143 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3iio n SER 144 N -3.08 -2.20 -0.59 7.72 7.64 -1.26 -3.38 113.62 118.47 3iio n SER 144 Ca -0.29 -0.63 -0.08 0.00 1.01 0.00 0.00 58.87 58.89 3iio n SER 144 Cb 0.67 -5.11 -0.03 0.00 -1.01 0.00 0.00 64.21 58.73 3iio n SER 144 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iio n GLY 145 N -1.14 0.90 0.12 0.23 0.00 -1.12 -4.88 105.19 99.30 3iio n GLY 145 Ca -0.28 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 3iio n GLY 145 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iio n GLU 146 N -1.85 0.58 -2.94 1.61 1.02 -1.02 -4.90 120.64 113.14 3iio n GLU 146 Ca -0.08 0.47 -0.42 0.00 -0.02 0.00 0.00 57.16 57.11 3iio n GLU 146 Cb 0.37 -1.66 -0.05 0.00 -0.02 0.00 0.00 31.44 30.08 3iio n GLU 146 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3iio s LYS 147 N -2.41 3.83 -0.35 3.49 2.20 -0.50 -4.93 119.74 121.07 3iio s LYS 147 Ca -0.32 0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 55.43 3iio s LYS 147 Cb 0.09 -3.78 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 3iio s LYS 147 CO 0.56 -0.80 1.58 1.21 -0.36 0.00 0.00 175.35 177.55 3iio s ASN 148 N 1.77 6.18 0.26 1.43 3.84 -1.26 -0.50 114.94 126.66 3iio s ASN 148 Ca 0.32 1.13 0.25 0.00 0.21 0.00 0.00 52.86 54.77 3iio s ASN 148 Cb -0.13 -2.53 0.95 0.00 -0.55 0.00 0.00 41.25 38.98 3iio s ASN 148 CO 0.15 -1.51 1.74 0.71 -2.79 0.00 0.00 177.10 175.41 3iio h THR 149 N 6.54 0.00 0.00 -5.21 1.35 -1.63 -3.46 112.91 110.50 3iio h THR 149 Ca -0.31 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3iio h THR 149 Cb 1.14 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3iio h THR 149 CO 1.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.93 3iio n GLY 150 N 0.38 0.79 3.74 5.82 0.00 -1.26 -5.01 105.19 109.64 3iio n GLY 150 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3iio n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iio s ILE 151 N -3.25 5.27 0.11 -0.61 1.01 -1.26 -4.98 121.20 117.49 3iio s ILE 151 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 60.65 60.98 3iio s ILE 151 Cb 0.00 -3.66 -0.06 0.00 0.01 0.00 0.00 42.46 38.74 3iio s ILE 151 CO 0.00 0.40 1.15 -0.76 0.00 0.00 0.00 174.94 175.73 3iio s LEU 152 N 0.34 4.42 0.26 2.97 1.43 -1.26 0.71 118.68 127.54 3iio s LEU 152 Ca 0.19 2.05 -0.03 0.00 -1.03 0.00 0.00 54.13 55.31 3iio s LEU 152 Cb -0.14 -3.59 0.53 0.00 0.03 0.00 0.00 46.19 43.02 3iio s LEU 152 CO 0.06 -0.36 1.67 0.25 0.23 0.00 0.00 176.35 178.19 3iio h LEU 153 N 6.03 -0.02 -1.48 1.79 5.85 -1.52 -1.72 115.31 124.25 3iio h LEU 153 Ca -0.43 0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.55 3iio h LEU 153 Cb 1.21 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.43 3iio h LEU 153 CO 0.77 -0.08 0.47 0.08 -0.34 0.00 0.00 178.44 179.34 3iio h ARG 154 N 0.24 0.57 0.14 1.25 0.11 -1.93 -0.81 114.38 113.95 3iio h ARG 154 Ca 0.45 -0.03 -0.26 0.00 0.10 0.00 0.00 59.98 60.24 3iio h ARG 154 Cb 0.82 -0.13 0.01 0.00 1.11 0.00 0.00 29.97 31.78 3iio h ARG 154 CO -0.57 0.38 -1.23 -0.44 0.10 0.00 0.00 179.97 178.21 3iio h ASP 155 N 0.59 0.48 -0.53 0.08 3.45 -1.80 -3.28 116.42 115.40 3iio h ASP 155 Ca 0.33 -0.90 0.01 0.00 0.43 0.00 0.00 57.03 56.90 3iio h ASP 155 Cb 0.50 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.08 3iio h ASP 155 CO -0.11 1.56 0.34 -0.25 -1.57 0.00 0.00 179.24 179.21 3iio h TRP 156 N -0.25 0.64 -0.57 4.55 -0.00 -1.21 -0.82 115.95 118.28 3iio h TRP 156 Ca -0.24 0.02 0.07 0.00 -0.00 0.00 0.00 58.89 58.74 3iio h TRP 156 Cb 1.78 -0.21 -0.06 0.00 -0.00 0.00 0.00 29.16 30.67 3iio h TRP 156 CO 0.15 0.39 0.25 0.28 -0.00 0.00 0.00 178.44 179.50 3iio h VAL 157 N 0.68 0.85 -0.02 2.65 2.07 -1.31 0.32 116.25 121.49 3iio h VAL 157 Ca 0.20 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 3iio h VAL 157 Cb -0.04 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3iio h VAL 157 CO -0.06 0.08 -0.00 0.58 0.02 0.00 0.00 177.57 178.19 3iio h VAL 158 N 0.46 1.26 -0.62 2.57 2.07 -1.59 -2.96 116.25 117.43 3iio h VAL 158 Ca 0.27 -0.78 0.12 0.00 0.82 0.00 0.00 66.70 67.14 3iio h VAL 158 Cb 0.27 1.75 -0.12 0.00 -1.52 0.00 0.00 31.29 31.67 3iio h VAL 158 CO -0.24 0.21 -0.22 -0.08 0.02 0.00 0.00 177.57 177.26 3iio h GLU 159 N -0.29 -0.06 -0.66 1.57 4.57 -0.83 -1.71 114.58 117.17 3iio h GLU 159 Ca 0.01 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 3iio h GLU 159 Cb 0.33 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.89 3iio h GLU 159 CO 0.00 -0.04 0.38 0.28 -1.18 0.00 0.00 179.01 178.45 3iio h VAL 160 N -0.06 1.00 -0.30 0.32 2.07 -0.35 0.98 116.25 119.91 3iio h VAL 160 Ca 0.29 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 3iio h VAL 160 Cb 0.50 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3iio h VAL 160 CO -0.67 0.13 0.01 -0.08 0.02 0.00 0.00 177.57 176.98 3iio h GLU 161 N 0.72 0.53 -0.72 1.57 4.81 -1.34 -2.76 114.58 117.39 3iio h GLU 161 Ca 0.29 -0.17 0.12 0.00 -0.13 0.00 0.00 59.36 59.47 3iio h GLU 161 Cb 0.14 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.38 3iio h GLU 161 CO -0.16 0.67 0.31 -0.22 -0.73 0.00 0.00 179.01 178.88 3iio h LYS 162 N 0.33 0.48 0.00 1.92 3.64 -0.71 -2.14 116.57 120.09 3iio h LYS 162 Ca 0.09 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3iio h LYS 162 Cb 0.42 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3iio h LYS 162 CO 0.01 0.32 -0.21 0.00 -2.27 0.00 0.00 179.45 177.30 3iio h ARG 163 N 0.49 0.00 0.00 1.90 2.47 -0.75 -3.47 114.38 115.03 3iio h ARG 163 Ca 0.38 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.10 3iio h ARG 163 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 3iio h ARG 163 CO -0.34 0.21 0.00 0.41 0.56 0.00 0.00 179.97 180.81 3iio n GLY 164 N -0.11 1.92 3.78 0.04 0.00 -0.80 -3.27 105.19 106.75 3iio n GLY 164 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3iio n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iio s ALA 165 N -2.00 2.73 -0.37 4.61 0.00 -1.06 -4.33 121.76 121.33 3iio s ALA 165 Ca 0.00 0.70 0.22 0.00 0.00 0.00 0.00 51.96 52.89 3iio s ALA 165 Cb 0.00 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 3iio s ALA 165 CO 0.00 -0.69 0.85 0.41 0.00 0.00 0.00 175.76 176.33 3iio n GLY 166 N -0.11 -1.19 3.70 0.00 0.00 -0.67 -4.81 105.19 102.11 3iio n GLY 166 Ca 0.11 -0.41 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 3iio n GLY 166 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iio s GLU 167 N -3.32 1.23 -0.06 1.61 -1.05 -1.10 -4.38 118.70 111.63 3iio s GLU 167 Ca -0.01 -0.63 0.01 0.00 -0.15 0.00 0.00 54.97 54.19 3iio s GLU 167 Cb 0.13 0.45 0.02 0.00 -0.44 0.00 0.00 34.13 34.29 3iio s GLU 167 CO 0.84 -0.56 -0.08 0.42 0.95 0.00 0.00 175.26 176.83 3iio s ILE 168 N -3.39 0.82 -0.16 1.83 1.01 -0.00 -1.61 121.20 119.70 3iio s ILE 168 Ca 0.10 -0.27 -0.19 0.00 0.00 0.00 0.00 60.65 60.29 3iio s ILE 168 Cb -0.02 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 3iio s ILE 168 CO -0.00 0.30 0.53 -0.69 0.00 0.00 0.00 174.94 175.07 3iio s VAL 169 N 0.99 5.12 -0.45 2.92 1.01 -0.91 0.10 120.40 129.19 3iio s VAL 169 Ca -0.09 1.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.81 3iio s VAL 169 Cb -0.15 -3.86 0.10 0.00 0.00 0.00 0.00 36.38 32.48 3iio s VAL 169 CO 0.00 0.23 0.31 -0.22 0.00 0.00 0.00 175.10 175.42 3iio s LEU 170 N 1.22 5.49 -0.24 3.92 2.96 0.17 -0.66 118.68 131.54 3iio s LEU 170 Ca 0.26 -1.78 -0.18 0.00 -0.22 0.00 0.00 54.13 52.22 3iio s LEU 170 Cb -0.15 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3iio s LEU 170 CO 0.11 -0.63 0.52 -0.83 -1.32 0.00 0.00 176.35 174.19 3iio s GLY 171 N 2.44 1.93 -0.30 7.98 0.00 0.13 -2.17 107.32 117.34 3iio s GLY 171 Ca 0.05 -0.52 -0.19 0.00 0.00 0.00 0.00 44.72 44.06 3iio s GLY 171 CO 0.00 1.17 0.57 -0.45 0.00 0.00 0.00 173.10 174.40 3iio s SER 172 N 1.38 6.44 0.33 1.64 0.15 -1.19 -1.13 113.70 121.32 3iio s SER 172 Ca 0.22 0.37 0.16 0.00 0.70 0.00 0.00 55.95 57.40 3iio s SER 172 Cb -0.15 -2.30 0.50 0.00 -1.71 0.00 0.00 66.02 62.35 3iio s SER 172 CO 0.09 -0.42 1.65 0.40 1.20 0.00 0.00 173.24 176.16 3iio h ILE 173 N 5.51 1.05 0.00 6.45 2.04 -1.59 -2.76 117.51 128.21 3iio h ILE 173 Ca -0.28 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 63.76 3iio h ILE 173 Cb 1.13 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 3iio h ILE 173 CO 0.77 0.47 0.00 0.47 0.00 0.00 0.00 178.15 179.86 3iio n ASP 174 N -3.56 0.00 0.00 1.72 8.00 -1.26 -2.01 116.55 119.44 3iio n ASP 174 Ca -0.00 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.69 3iio n ASP 174 Cb 0.58 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 3iio n ASP 174 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3iio n ARG 175 N -1.29 1.84 -1.68 -1.24 5.12 -1.05 -4.98 116.66 113.38 3iio n ARG 175 Ca 0.03 -1.15 -0.45 0.00 -1.93 0.00 0.00 57.85 54.35 3iio n ARG 175 Cb 0.06 -0.92 -0.04 0.00 -1.16 0.00 0.00 32.46 30.40 3iio n ARG 175 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3iio n LEU 176 N -0.33 3.58 -3.12 0.55 7.94 -0.85 -2.07 117.00 122.69 3iio n LEU 176 Ca 0.00 1.02 -0.23 0.00 -1.11 0.00 0.00 56.01 55.69 3iio n LEU 176 Cb 0.24 -1.47 0.02 0.00 0.53 0.00 0.00 43.42 42.75 3iio n LEU 176 CO 0.00 -0.04 -0.01 0.61 -1.11 0.00 0.00 177.39 176.84 3iio n GLY 177 N 3.98 -0.51 3.75 -3.96 0.00 -1.26 -5.01 105.19 102.18 3iio n GLY 177 Ca 0.19 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 3iio n GLY 177 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iio s THR 178 N -3.10 2.45 -0.01 2.61 -4.23 -0.88 -5.04 115.64 107.44 3iio s THR 178 Ca 0.33 -1.66 0.19 0.00 -1.18 0.00 0.00 61.69 59.38 3iio s THR 178 Cb -0.16 -2.99 0.33 0.00 1.34 0.00 0.00 72.50 71.02 3iio s THR 178 CO 0.41 -0.03 1.13 0.29 -0.54 0.00 0.00 174.62 175.88 3iio n LYS 179 N -1.26 0.06 0.03 3.99 4.76 -1.26 -4.19 118.16 120.30 3iio n LYS 179 Ca -0.01 -1.82 0.11 0.00 -2.87 0.00 0.00 58.31 53.73 3iio n LYS 179 Cb 0.64 -0.18 -0.02 0.00 -1.84 0.00 0.00 35.03 33.63 3iio n LYS 179 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3iio n SER 180 N 0.31 0.57 0.00 4.39 3.41 -1.19 -4.07 113.62 117.04 3iio n SER 180 Ca 0.05 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 3iio n SER 180 Cb 1.03 0.94 0.00 0.00 -0.26 0.00 0.00 64.21 65.92 3iio n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iio n GLY 181 N 1.34 4.48 3.75 5.00 0.00 -0.43 -4.97 105.19 114.36 3iio n GLY 181 Ca 0.01 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 3iio n GLY 181 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iio s TYR 182 N -2.00 2.38 -0.80 1.61 2.02 -1.25 -4.41 117.35 114.91 3iio s TYR 182 Ca 0.00 1.48 -0.24 0.00 -0.37 0.00 0.00 57.07 57.94 3iio s TYR 182 Cb 0.00 -3.58 -0.18 0.00 -0.40 0.00 0.00 41.96 37.80 3iio s TYR 182 CO 0.00 -2.40 1.89 -3.47 -1.57 0.00 0.00 175.55 170.00 3iio n ASP 183 N -1.33 2.39 0.18 2.29 -0.08 -1.26 -4.71 116.55 114.03 3iio n ASP 183 Ca 0.12 -2.65 0.05 0.00 -1.51 0.00 0.00 54.79 50.80 3iio n ASP 183 Cb 0.48 -1.25 0.50 0.00 2.34 0.00 0.00 41.12 43.19 3iio n ASP 183 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3iio h THR 184 N 5.18 1.11 -0.66 5.18 1.35 -1.94 -1.96 112.91 121.17 3iio h THR 184 Ca 0.31 -0.44 0.01 0.00 -0.55 0.00 0.00 66.41 65.74 3iio h THR 184 Cb 0.77 1.10 -0.03 0.00 -1.73 0.00 0.00 68.15 68.26 3iio h THR 184 CO 1.70 0.14 0.43 -0.08 -0.25 0.00 0.00 175.52 177.46 3iio h GLU 185 N 0.13 0.85 -0.06 4.72 4.81 -1.99 -2.26 114.58 120.79 3iio h GLU 185 Ca 0.03 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 3iio h GLU 185 Cb 0.20 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3iio h GLU 185 CO 0.01 0.56 -0.45 1.98 -0.73 0.00 0.00 179.01 180.39 3iio h MET 186 N 0.88 0.14 0.02 1.92 4.05 -1.81 -2.73 114.93 117.40 3iio h MET 186 Ca 0.25 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.59 3iio h MET 186 Cb -0.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 3iio h MET 186 CO -0.06 0.57 -0.01 0.82 0.23 0.00 0.00 176.91 178.46 3iio h ILE 187 N 0.12 1.26 -0.94 1.77 2.04 -1.20 -2.60 117.51 117.95 3iio h ILE 187 Ca 0.01 -0.87 0.10 0.00 1.00 0.00 0.00 64.86 65.09 3iio h ILE 187 Cb 0.84 1.84 -0.07 0.00 -0.74 0.00 0.00 36.82 38.69 3iio h ILE 187 CO 0.06 0.22 0.61 0.03 0.00 0.00 0.00 178.15 179.07 3iio h ARG 188 N -0.41 0.94 0.18 2.37 3.08 -1.45 0.11 114.38 119.20 3iio h ARG 188 Ca -0.00 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.00 3iio h ARG 188 Cb 0.39 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3iio h ARG 188 CO 0.01 0.62 -0.25 0.35 -1.07 0.00 0.00 179.97 179.62 3iio h PHE 189 N 0.97 -0.67 0.00 3.04 3.57 -1.46 -3.09 116.94 119.29 3iio h PHE 189 Ca 0.44 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.84 3iio h PHE 189 Cb 0.39 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 3iio h PHE 189 CO -0.00 -0.36 -0.53 0.28 -2.23 0.00 0.00 178.31 175.47 3iio h VAL 190 N -0.49 1.35 -0.56 1.41 2.07 -1.02 -3.37 116.25 115.64 3iio h VAL 190 Ca 0.01 -1.83 0.11 0.00 0.82 0.00 0.00 66.70 65.82 3iio h VAL 190 Cb 0.49 1.99 -0.09 0.00 -1.52 0.00 0.00 31.29 32.16 3iio h VAL 190 CO -0.10 0.52 -0.01 -0.09 0.02 0.00 0.00 177.57 177.91 3iio h ARG 191 N 0.00 0.11 0.00 1.57 9.65 -0.71 -0.74 114.38 124.25 3iio h ARG 191 Ca -0.01 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3iio h ARG 191 Cb 0.95 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.51 3iio h ARG 191 CO 0.07 0.07 0.00 -0.35 2.80 0.00 0.00 179.97 182.56 3iio n PRO 192 N -5.26 0.44 0.11 0.20 -0.04 -1.26 -3.69 135.00 125.51 3iio n PRO 192 Ca 0.07 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.62 3iio n PRO 192 Cb 0.31 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.28 3iio n PRO 192 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3iio h LEU 193 N 0.00 0.00 -8.25 1.53 3.38 -1.34 -3.47 115.31 107.15 3iio h LEU 193 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 3iio h LEU 193 Cb 0.27 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.80 3iio h LEU 193 CO 0.00 0.17 -0.76 0.28 0.09 0.00 0.00 178.44 178.22 3iio s THR 194 N -3.21 0.78 -2.04 0.22 -1.32 -1.19 -4.60 115.64 104.28 3iio s THR 194 Ca 0.01 -1.12 0.28 0.00 -1.21 0.00 0.00 61.69 59.65 3iio s THR 194 Cb 0.08 -0.79 0.44 0.00 -1.51 0.00 0.00 72.50 70.73 3iio s THR 194 CO 0.77 -0.28 1.71 0.35 -2.21 0.00 0.00 174.62 174.97 3iio n THR 195 N 1.49 0.00 -2.91 5.08 -2.24 -1.26 -4.92 114.28 109.53 3iio n THR 195 Ca -0.21 -0.16 -0.32 0.00 -2.27 0.00 0.00 64.05 61.08 3iio n THR 195 Cb 0.55 0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 3iio n THR 195 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3iio s LEU 196 N -2.27 3.94 -0.02 3.22 1.43 -1.26 -5.01 118.68 118.71 3iio s LEU 196 Ca 0.32 1.44 -0.38 0.00 -1.03 0.00 0.00 54.13 54.48 3iio s LEU 196 Cb 0.20 -4.28 -0.16 0.00 0.03 0.00 0.00 46.19 41.98 3iio s LEU 196 CO 0.43 -0.33 1.49 -2.65 0.23 0.00 0.00 176.35 175.52 3iio n PRO 197 N -0.71 1.22 -4.01 1.29 -0.02 -1.26 -4.87 135.00 126.65 3iio n PRO 197 Ca 0.05 0.44 -0.35 0.00 -2.02 0.00 0.00 63.50 61.62 3iio n PRO 197 Cb 0.54 -2.11 -0.12 0.00 -0.02 0.00 0.00 33.50 31.79 3iio n PRO 197 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3iio s ILE 198 N 1.50 4.35 -0.19 4.25 1.01 -1.26 -0.82 121.20 130.04 3iio s ILE 198 Ca 0.89 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 61.29 3iio s ILE 198 Cb -0.97 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 3iio s ILE 198 CO 0.52 0.42 0.06 -0.63 0.00 0.00 0.00 174.94 175.31 3iio s ILE 199 N 0.88 4.62 0.12 2.92 -1.09 0.29 -0.45 121.20 128.49 3iio s ILE 199 Ca 0.02 -0.09 -0.24 0.00 -2.23 0.00 0.00 60.65 58.12 3iio s ILE 199 Cb -0.14 -3.09 -0.07 0.00 -1.58 0.00 0.00 42.46 37.58 3iio s ILE 199 CO 0.02 0.44 0.72 0.00 -1.23 0.00 0.00 174.94 174.89 3iio s ALA 200 N 0.62 3.48 -0.12 9.38 0.00 0.23 0.45 121.76 135.80 3iio s ALA 200 Ca 0.03 0.26 -0.08 0.00 0.00 0.00 0.00 51.96 52.17 3iio s ALA 200 Cb -0.13 -2.87 0.04 0.00 0.00 0.00 0.00 23.12 20.16 3iio s ALA 200 CO 0.02 0.29 0.30 -1.58 0.00 0.00 0.00 175.76 174.79 3iio s HIS 201 N -0.98 -0.38 0.00 0.00 5.04 -0.92 0.47 115.29 118.51 3iio s HIS 201 Ca 0.34 0.89 0.00 0.00 -1.54 0.00 0.00 55.06 54.75 3iio s HIS 201 Cb -0.22 0.12 0.00 0.00 0.04 0.00 0.00 32.58 32.52 3iio s HIS 201 CO 0.24 -0.22 0.00 0.54 -2.34 0.00 0.00 174.74 172.96 3iio n ARG 202 N 3.65 0.00 0.00 2.88 5.12 -1.26 -3.15 116.66 123.90 3iio n ARG 202 Ca -0.19 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 3iio n ARG 202 Cb 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.86 3iio n ARG 202 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3iio n GLY 203 N 1.56 1.04 3.68 -0.13 0.00 -1.22 -4.23 105.19 105.89 3iio n GLY 203 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3iio n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iio s ALA 204 N -2.23 3.70 0.00 4.61 0.00 -1.26 -1.31 121.76 125.27 3iio s ALA 204 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3iio s ALA 204 Cb 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.33 3iio s ALA 204 CO 0.00 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.84 3iio n GLY 205 N 4.32 0.00 3.46 0.00 0.00 -1.26 -4.79 105.19 106.92 3iio n GLY 205 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 3iio n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iio s LYS 206 N -0.97 1.13 0.34 1.61 -2.85 -1.26 -4.96 119.74 112.79 3iio s LYS 206 Ca 0.00 -0.09 0.13 0.00 -1.00 0.00 0.00 55.97 55.01 3iio s LYS 206 Cb 0.00 0.53 1.07 0.00 -2.06 0.00 0.00 37.83 37.37 3iio s LYS 206 CO 0.00 -0.42 1.60 0.52 0.10 0.00 0.00 175.35 177.15 3iio h MET 207 N 2.60 0.10 -0.34 1.78 2.86 -1.98 0.34 114.93 120.29 3iio h MET 207 Ca -0.30 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.43 3iio h MET 207 Cb 1.21 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 3iio h MET 207 CO 0.39 0.06 0.25 0.93 1.06 0.00 0.00 176.91 179.60 3iio h GLU 208 N 0.10 0.00 0.00 1.72 3.07 -1.98 -2.49 114.58 115.00 3iio h GLU 208 Ca 0.73 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.49 3iio h GLU 208 Cb 1.74 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.64 3iio h GLU 208 CO -0.76 0.00 -0.48 0.45 -1.40 0.00 0.00 179.01 176.83 3iio h HIS 209 N 0.00 0.00 -0.13 4.33 3.86 -0.73 -2.09 115.15 120.39 3iio h HIS 209 Ca 0.16 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.30 3iio h HIS 209 Cb 0.66 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.13 3iio h HIS 209 CO 0.00 0.48 -0.19 0.74 0.86 0.00 0.00 177.93 179.82 3iio h PHE 210 N 0.00 0.44 -0.71 2.45 0.04 -1.56 -1.25 116.94 116.34 3iio h PHE 210 Ca -0.00 -0.15 0.12 0.00 2.80 0.00 0.00 57.97 60.74 3iio h PHE 210 Cb 0.88 -0.09 -0.08 0.00 2.20 0.00 0.00 35.95 38.86 3iio h PHE 210 CO 0.00 0.80 0.30 1.25 -0.60 0.00 0.00 178.31 180.06 3iio h LEU 211 N -0.04 0.32 0.46 1.54 5.85 -1.50 -2.39 115.31 119.54 3iio h LEU 211 Ca 0.01 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3iio h LEU 211 Cb 0.75 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3iio h LEU 211 CO 0.04 0.15 -0.22 -0.33 -0.34 0.00 0.00 178.44 177.74 3iio h GLU 212 N 0.48 -0.60 -0.96 1.25 5.08 -1.34 -1.78 114.58 116.72 3iio h GLU 212 Ca 0.38 0.04 0.27 0.00 -1.00 0.00 0.00 59.36 59.05 3iio h GLU 212 Cb 0.51 0.14 -0.14 0.00 0.50 0.00 0.00 28.75 29.76 3iio h GLU 212 CO -0.35 -0.35 0.47 0.00 -1.00 0.00 0.00 179.01 177.78 3iio h ALA 213 N -0.21 1.69 -0.00 3.43 0.00 -0.97 -1.23 119.26 121.96 3iio h ALA 213 Ca -0.06 0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 3iio h ALA 213 Cb 0.52 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3iio h ALA 213 CO 0.10 -0.45 -0.90 0.74 0.00 0.00 0.00 179.25 178.74 3iio h PHE 214 N 0.36 0.48 -0.56 0.00 0.04 -1.17 -2.17 116.94 113.92 3iio h PHE 214 Ca 0.65 -0.26 -0.02 0.00 2.80 0.00 0.00 57.97 61.14 3iio h PHE 214 Cb 1.36 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 39.42 3iio h PHE 214 CO -0.09 1.07 0.28 -0.07 -0.60 0.00 0.00 178.31 178.91 3iio h LEU 215 N 0.18 0.70 -0.99 1.54 3.38 -0.59 -2.51 115.31 117.01 3iio h LEU 215 Ca -0.06 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3iio h LEU 215 Cb 1.53 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 3iio h LEU 215 CO 0.15 0.58 -0.08 0.00 0.09 0.00 0.00 178.44 179.18 3iio h ALA 216 N 1.53 0.99 0.00 1.53 0.00 -1.09 -3.47 119.26 118.75 3iio h ALA 216 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3iio h ALA 216 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3iio h ALA 216 CO -0.03 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.73 3iio n GLY 217 N 0.35 0.42 3.77 0.00 0.00 -0.95 -3.69 105.19 105.10 3iio n GLY 217 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3iio n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iio s ALA 218 N -1.39 3.25 -1.23 4.61 0.00 -0.85 -4.77 121.76 121.38 3iio s ALA 218 Ca 0.00 1.16 0.24 0.00 0.00 0.00 0.00 51.96 53.35 3iio s ALA 218 Cb 0.00 -3.46 0.23 0.00 0.00 0.00 0.00 23.12 19.89 3iio s ALA 218 CO 0.00 -0.73 1.22 -0.25 0.00 0.00 0.00 175.76 176.01 3iio n ASP 219 N 0.17 0.92 -3.54 0.00 8.00 0.41 -4.55 116.55 117.95 3iio n ASP 219 Ca 0.04 -0.74 -0.15 0.00 0.71 0.00 0.00 54.79 54.64 3iio n ASP 219 Cb 0.44 0.52 -0.06 0.00 -0.02 0.00 0.00 41.12 42.00 3iio n ASP 219 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iio s ALA 220 N -2.87 -1.83 -0.12 2.24 0.00 -1.10 -1.54 121.76 116.54 3iio s ALA 220 Ca 0.13 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.55 3iio s ALA 220 Cb 0.17 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.00 3iio s ALA 220 CO 0.72 -0.34 -0.20 0.00 0.00 0.00 0.00 175.76 175.93 3iio s ALA 221 N -1.12 2.02 -0.14 0.00 0.00 0.63 -0.60 121.76 122.55 3iio s ALA 221 Ca -0.07 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 3iio s ALA 221 Cb -0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 3iio s ALA 221 CO 0.07 0.03 0.02 0.21 0.00 0.00 0.00 175.76 176.08 3iio s LYS 222 N 0.76 3.51 0.23 0.00 2.20 0.18 -1.66 119.74 124.96 3iio s LYS 222 Ca -0.10 -0.41 -0.06 0.00 -0.36 0.00 0.00 55.97 55.04 3iio s LYS 222 Cb -0.16 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 33.16 3iio s LYS 222 CO 0.01 0.44 0.30 0.00 -0.36 0.00 0.00 175.35 175.74 3iio s ALA 223 N -0.15 0.51 0.00 3.13 0.00 -1.07 -4.29 121.76 119.89 3iio s ALA 223 Ca 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.70 3iio s ALA 223 Cb -0.12 1.24 0.00 0.00 0.00 0.00 0.00 23.12 24.23 3iio s ALA 223 CO 0.02 -0.72 0.00 -0.40 0.00 0.00 0.00 175.76 174.66 3iio n ASP 224 N -0.36 0.00 -0.28 0.00 3.85 -1.26 -0.89 116.55 117.62 3iio n ASP 224 Ca 0.00 0.00 0.08 0.00 -0.71 0.00 0.00 54.79 54.16 3iio n ASP 224 Cb 0.64 0.00 0.22 0.00 -1.35 0.00 0.00 41.12 40.63 3iio n ASP 224 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3iio h SER 225 N 0.00 0.30 -0.55 -1.12 4.64 -1.98 0.34 113.55 115.18 3iio h SER 225 Ca 0.00 0.12 0.16 0.00 -0.47 0.00 0.00 61.79 61.60 3iio h SER 225 Cb 0.00 0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3iio h SER 225 CO 0.00 0.08 0.44 1.62 -0.87 0.00 0.00 176.83 178.10 3iio h VAL 226 N 0.44 0.58 0.00 0.95 3.04 -1.93 0.24 116.25 119.58 3iio h VAL 226 Ca 0.46 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 66.01 3iio h VAL 226 Cb 0.76 0.68 -0.02 0.00 -2.01 0.00 0.00 31.29 30.69 3iio h VAL 226 CO -0.44 0.00 -0.84 -0.26 -1.01 0.00 0.00 177.57 175.02 3iio h PHE 227 N 0.00 0.00 0.00 3.17 0.04 -0.65 -1.84 116.94 117.67 3iio h PHE 227 Ca 0.26 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.00 3iio h PHE 227 Cb 1.15 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.29 3iio h PHE 227 CO 0.00 1.21 -0.15 0.45 -0.60 0.00 0.00 178.31 179.22 3iio h HIS 228 N -1.00 0.00 -0.49 -0.55 3.86 -0.79 -2.46 115.15 113.73 3iio h HIS 228 Ca -0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 3iio h HIS 228 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 3iio h HIS 228 CO 0.12 0.15 0.00 1.19 0.86 0.00 0.00 177.93 180.26 3iio n PHE 229 N -4.20 1.27 -1.91 2.45 0.99 0.83 -0.29 117.46 116.60 3iio n PHE 229 Ca -0.02 -0.68 -0.18 0.00 -0.00 0.00 0.00 57.45 56.56 3iio n PHE 229 Cb 0.23 -0.27 -0.05 0.00 -1.00 0.00 0.00 39.48 38.39 3iio n PHE 229 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3iio n ARG 230 N 0.52 -1.59 0.23 -1.08 1.74 -0.93 -4.86 116.66 110.69 3iio n ARG 230 Ca 0.23 0.99 0.10 0.00 -0.77 0.00 0.00 57.85 58.40 3iio n ARG 230 Cb 0.86 -5.46 0.51 0.00 -1.02 0.00 0.00 32.46 27.35 3iio n ARG 230 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3iio h GLU 231 N 0.00 0.00 -4.24 5.56 5.08 -1.78 -3.42 114.58 115.77 3iio h GLU 231 Ca -0.40 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.51 3iio h GLU 231 Cb 1.24 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.16 3iio h GLU 231 CO 0.53 0.22 -0.79 0.42 -1.00 0.00 0.00 179.01 178.39 3iio s ILE 232 N -3.79 0.78 -0.18 3.13 1.01 -0.71 -5.01 121.20 116.43 3iio s ILE 232 Ca -0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 60.65 60.18 3iio s ILE 232 Cb 0.11 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 3iio s ILE 232 CO 0.63 0.28 0.55 -0.62 0.00 0.00 0.00 174.94 175.78 3iio s ASP 233 N 0.78 6.64 0.14 3.58 2.15 -1.26 -4.57 116.67 124.14 3iio s ASP 233 Ca -0.13 0.77 -0.15 0.00 0.43 0.00 0.00 52.55 53.47 3iio s ASP 233 Cb -0.15 -2.31 0.02 0.00 -0.30 0.00 0.00 42.92 40.17 3iio s ASP 233 CO 0.02 -0.18 1.71 0.58 -0.17 0.00 0.00 175.17 177.13 3iio h VAL 234 N 5.06 1.20 -0.16 1.11 2.07 -1.97 -0.38 116.25 123.18 3iio h VAL 234 Ca -0.34 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 3iio h VAL 234 Cb 1.16 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3iio h VAL 234 CO 0.75 0.22 -0.09 -0.09 0.02 0.00 0.00 177.57 178.38 3iio h ARG 235 N 0.58 0.24 0.08 1.57 9.65 -1.93 -2.76 114.38 121.80 3iio h ARG 235 Ca 0.15 -0.05 -0.28 0.00 -1.10 0.00 0.00 59.98 58.70 3iio h ARG 235 Cb 0.16 -0.04 0.02 0.00 -1.39 0.00 0.00 29.97 28.73 3iio h ARG 235 CO -0.02 0.35 -1.15 0.93 2.80 0.00 0.00 179.97 182.88 3iio h GLU 236 N 0.23 0.58 -0.25 0.20 5.08 -1.86 -2.52 114.58 116.05 3iio h GLU 236 Ca 0.05 -0.72 0.02 0.00 -1.00 0.00 0.00 59.36 57.71 3iio h GLU 236 Cb 0.31 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3iio h GLU 236 CO 0.02 1.31 0.09 1.25 -1.00 0.00 0.00 179.01 180.68 3iio h LEU 237 N 0.28 0.11 -1.02 1.33 5.85 -0.99 0.28 115.31 121.15 3iio h LEU 237 Ca -0.15 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.49 3iio h LEU 237 Cb 1.82 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 3iio h LEU 237 CO 0.22 0.10 -0.48 0.11 -0.34 0.00 0.00 178.44 178.04 3iio h LYS 238 N 0.21 0.00 -0.13 1.25 1.57 -1.60 0.94 116.57 118.82 3iio h LYS 238 Ca 0.11 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.70 3iio h LYS 238 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3iio h LYS 238 CO -0.10 0.48 -0.70 0.93 -0.57 0.00 0.00 179.45 179.49 3iio h GLU 239 N 0.00 0.58 -0.44 3.15 5.08 -1.25 -1.97 114.58 119.73 3iio h GLU 239 Ca -0.00 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 3iio h GLU 239 Cb 0.87 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 3iio h GLU 239 CO 0.06 1.07 0.24 -0.92 -1.00 0.00 0.00 179.01 178.46 3iio h TYR 240 N 0.41 0.61 -0.30 4.33 3.20 -0.02 -2.57 116.97 122.62 3iio h TYR 240 Ca -0.03 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.69 3iio h TYR 240 Cb 1.29 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.36 3iio h TYR 240 CO 0.06 0.46 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.64 3iio h LEU 241 N 0.58 0.82 -1.10 2.82 3.38 -0.82 -2.94 115.31 118.05 3iio h LEU 241 Ca 0.16 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3iio h LEU 241 Cb 0.05 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3iio h LEU 241 CO -0.02 1.13 0.26 0.50 0.09 0.00 0.00 178.44 180.40 3iio h LYS 242 N 0.52 0.90 -0.59 1.13 1.63 -1.41 -0.92 116.57 117.84 3iio h LYS 242 Ca 0.04 -0.13 0.07 0.00 -0.85 0.00 0.00 60.65 59.78 3iio h LYS 242 Cb 0.91 -0.16 -0.06 0.00 -0.60 0.00 0.00 32.23 32.33 3iio h LYS 242 CO 0.08 0.72 0.27 -0.22 -3.45 0.00 0.00 179.45 176.86 3iio h LYS 243 N 0.89 0.49 -0.65 1.90 3.64 -1.31 -2.78 116.57 118.75 3iio h LYS 243 Ca 0.21 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 3iio h LYS 243 Cb 0.15 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 3iio h LYS 243 CO -0.02 0.33 0.13 0.72 -2.27 0.00 0.00 179.45 178.33 3iio n HIS 244 N -4.91 2.25 -0.52 1.91 8.25 -1.08 -4.94 115.22 116.19 3iio n HIS 244 Ca 0.07 -0.96 0.00 0.00 -0.26 0.00 0.00 57.72 56.57 3iio n HIS 244 Cb 0.20 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.71 3iio n HIS 244 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iio n GLY 245 N 0.23 0.71 3.75 -1.41 0.00 -0.93 -5.05 105.19 102.48 3iio n GLY 245 Ca 0.34 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3iio n GLY 245 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iio s VAL 246 N -2.00 4.15 -1.29 1.61 1.01 -0.39 -4.99 120.40 118.50 3iio s VAL 246 Ca 0.00 2.08 -0.14 0.00 0.00 0.00 0.00 61.98 63.93 3iio s VAL 246 Cb 0.00 -4.33 0.12 0.00 0.00 0.00 0.00 36.38 32.18 3iio s VAL 246 CO 0.00 0.47 1.76 -3.20 0.00 0.00 0.00 175.10 174.13 3iio n ASN 247 N 1.72 4.89 -4.88 3.32 5.15 -1.26 -3.97 115.26 120.24 3iio n ASN 247 Ca -0.01 -2.98 -0.33 0.00 -0.60 0.00 0.00 54.58 50.67 3iio n ASN 247 Cb 0.47 -1.60 -0.05 0.00 -0.53 0.00 0.00 39.78 38.07 3iio n ASN 247 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3iio s VAL 248 N 2.15 5.03 -0.43 3.44 -7.23 -1.26 -0.25 120.40 121.85 3iio s VAL 248 Ca 0.45 0.35 -0.18 0.00 -1.81 0.00 0.00 61.98 60.80 3iio s VAL 248 Cb 0.05 -3.63 0.03 0.00 0.56 0.00 0.00 36.38 33.38 3iio s VAL 248 CO 0.01 0.06 0.46 -0.60 -0.31 0.00 0.00 175.10 174.72 3iio s ARG 249 N -2.53 3.10 0.00 4.82 3.52 -1.26 -4.95 118.95 121.66 3iio s ARG 249 Ca 0.42 -0.78 0.26 0.00 -0.13 0.00 0.00 55.73 55.50 3iio s ARG 249 Cb -0.12 -3.99 0.52 0.00 -1.56 0.00 0.00 34.95 29.80 3iio s ARG 249 CO 0.22 -0.90 1.45 1.28 -0.81 0.00 0.00 175.30 176.53