#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 4.02 -0.06 0.00 -0.14 0.39 -4.98 119.74 118.97 3iio s LYS 4 Ca 0.00 1.22 0.05 0.00 -1.36 0.00 0.00 55.97 55.89 3iio s LYS 4 Cb 0.00 -2.14 -0.01 0.00 -1.68 0.00 0.00 37.83 34.01 3iio s LYS 4 CO 0.00 -0.23 -0.22 0.50 -0.76 0.00 0.00 175.35 174.64 3iio s ARG 5 N -3.24 2.40 -0.25 1.68 3.52 -0.90 -4.28 118.95 117.89 3iio s ARG 5 Ca 0.64 -0.80 -0.07 0.00 -0.13 0.00 0.00 55.73 55.37 3iio s ARG 5 Cb -0.12 -1.99 -0.03 0.00 -1.56 0.00 0.00 34.95 31.24 3iio s ARG 5 CO 0.17 0.29 0.06 0.42 -0.81 0.00 0.00 175.30 175.43 3iio s ILE 6 N 0.02 4.23 -0.14 4.11 -1.09 -1.26 -1.62 121.20 125.45 3iio s ILE 6 Ca -0.07 -0.20 -0.05 0.00 -2.23 0.00 0.00 60.65 58.10 3iio s ILE 6 Cb -0.14 -2.97 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 3iio s ILE 6 CO 0.04 0.35 0.05 -1.81 -1.23 0.00 0.00 174.94 172.34 3iio s ASP 7 N 1.59 5.54 -0.22 3.58 1.11 -0.06 -1.34 116.67 126.87 3iio s ASP 7 Ca 0.06 0.14 -0.12 0.00 0.18 0.00 0.00 52.55 52.81 3iio s ASP 7 Cb -0.15 -1.81 -0.05 0.00 1.07 0.00 0.00 42.92 41.99 3iio s ASP 7 CO 0.03 0.28 0.23 0.00 1.18 0.00 0.00 175.17 176.89 3iio s ALA 8 N -0.25 3.60 -0.21 5.23 0.00 -0.97 -1.94 121.76 127.24 3iio s ALA 8 Ca 0.07 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 3iio s ALA 8 Cb -0.12 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 3iio s ALA 8 CO 0.02 -0.16 0.16 0.00 0.00 0.00 0.00 175.76 175.78 3iio s ALA 9 N 0.99 3.66 -0.26 0.00 0.00 -0.31 -0.96 121.76 124.88 3iio s ALA 9 Ca 0.11 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 3iio s ALA 9 Cb -0.13 -2.24 0.02 0.00 0.00 0.00 0.00 23.12 20.76 3iio s ALA 9 CO 0.05 0.05 -0.02 -0.51 0.00 0.00 0.00 175.76 175.33 3iio s LEU 10 N 0.57 3.35 -0.13 0.00 1.02 0.24 -4.42 118.68 119.31 3iio s LEU 10 Ca 0.09 -0.78 -0.26 0.00 0.02 0.00 0.00 54.13 53.20 3iio s LEU 10 Cb -0.12 -1.73 -0.02 0.00 0.02 0.00 0.00 46.19 44.34 3iio s LEU 10 CO 0.00 -0.13 0.87 -0.63 0.02 0.00 0.00 176.35 176.48 3iio s ILE 11 N 1.39 4.87 0.06 -0.59 1.01 -1.26 -0.24 121.20 126.44 3iio s ILE 11 Ca 0.01 1.74 0.06 0.00 0.00 0.00 0.00 60.65 62.47 3iio s ILE 11 Cb -0.17 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 3iio s ILE 11 CO -0.02 0.05 -0.18 0.54 0.00 0.00 0.00 174.94 175.33 3iio s VAL 12 N 1.90 1.42 -0.07 2.92 0.11 0.17 -1.50 120.40 125.36 3iio s VAL 12 Ca 0.42 -1.24 -0.06 0.00 -2.93 0.00 0.00 61.98 58.16 3iio s VAL 12 Cb -0.17 -1.28 0.02 0.00 -1.53 0.00 0.00 36.38 33.41 3iio s VAL 12 CO 0.15 0.01 0.19 -0.75 -3.33 0.00 0.00 175.10 171.38 3iio s LYS 13 N -1.43 0.22 0.00 1.54 2.20 0.69 0.39 119.74 123.34 3iio s LYS 13 Ca 0.04 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 3iio s LYS 13 Cb -0.09 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 3iio s LYS 13 CO 0.02 -0.04 0.00 -0.40 -0.36 0.00 0.00 175.35 174.58 3iio n ASP 14 N 3.07 0.00 0.00 1.43 5.75 -1.26 0.09 116.55 125.63 3iio n ASP 14 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.64 3iio n ASP 14 Cb 0.58 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 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 -0.88 0.68 3.33 6.12 0.00 -1.26 -5.06 105.19 108.12 3iio n GLY 15 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.64 1.25 -0.25 1.61 0.52 0.11 -4.42 118.95 117.14 3iio s ARG 16 Ca 0.00 -1.39 -0.29 0.00 -0.52 0.00 0.00 55.73 53.53 3iio s ARG 16 Cb 0.00 -1.31 -0.01 0.00 0.52 0.00 0.00 34.95 34.16 3iio s ARG 16 CO 0.00 0.27 1.30 0.08 0.02 0.00 0.00 175.30 176.97 3iio s VAL 17 N -2.02 4.17 -0.07 3.52 1.01 0.71 -0.22 120.40 127.49 3iio s VAL 17 Ca 0.15 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.18 3iio s VAL 17 Cb -0.06 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 3iio s VAL 17 CO 0.06 -0.35 2.04 0.52 0.00 0.00 0.00 175.10 177.38 3iio n VAL 18 N 5.93 0.59 -0.86 2.92 0.31 -0.56 -1.25 118.33 125.41 3iio n VAL 18 Ca 0.15 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3iio n VAL 18 Cb 0.46 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 3iio n VAL 18 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3iio n LYS 19 N 7.78 -0.56 0.00 5.55 5.02 -1.26 -4.90 118.16 129.78 3iio n LYS 19 Ca 0.24 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 3iio n LYS 19 Cb 0.39 -3.88 0.00 0.00 -0.02 0.00 0.00 35.03 31.52 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 -1.37 2.16 3.64 0.72 0.00 -0.38 -4.95 105.19 105.02 3iio n GLY 20 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 0.33 0.00 1.61 1.04 -1.22 -4.87 113.70 106.59 3iio s SER 21 Ca 0.00 -1.20 0.20 0.00 0.48 0.00 0.00 55.95 55.43 3iio s SER 21 Cb 0.00 0.72 0.53 0.00 0.10 0.00 0.00 66.02 67.37 3iio s SER 21 CO 0.00 -1.41 1.44 0.59 0.98 0.00 0.00 173.24 174.85 3iio n ASN 22 N -1.15 3.63 -4.60 7.02 4.13 -0.11 -4.93 115.26 119.25 3iio n ASN 22 Ca -0.03 -1.98 -0.43 0.00 1.68 0.00 0.00 54.58 53.81 3iio n ASN 22 Cb 0.61 -0.38 -0.02 0.00 -1.54 0.00 0.00 39.78 38.44 3iio n ASN 22 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3iio s PHE 23 N -1.10 2.72 0.28 3.10 0.40 -1.26 -4.87 117.98 117.25 3iio s PHE 23 Ca 0.42 0.69 0.02 0.00 -0.60 0.00 0.00 56.93 57.45 3iio s PHE 23 Cb 0.22 -4.43 0.57 0.00 0.51 0.00 0.00 43.02 39.89 3iio s PHE 23 CO 0.29 -1.43 1.83 1.49 0.70 0.00 0.00 175.22 178.11 3iio h GLU 24 N 9.54 0.95 -0.00 0.44 4.57 -1.99 -2.90 114.58 125.18 3iio h GLU 24 Ca -0.24 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 3iio h GLU 24 Cb 1.07 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 3iio h GLU 24 CO 1.13 0.63 -0.12 0.27 -1.18 0.00 0.00 179.01 179.74 3iio n ASN 25 N -4.63 0.36 -4.82 1.04 6.94 -1.26 -4.87 115.26 108.01 3iio n ASN 25 Ca 0.19 -0.36 -0.38 0.00 -0.02 0.00 0.00 54.58 54.02 3iio n ASN 25 Cb 0.37 -0.12 -0.06 0.00 -2.36 0.00 0.00 39.78 37.61 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 -2.60 4.47 0.09 -4.53 1.43 -1.10 -4.98 118.68 111.46 3iio s LEU 26 Ca 0.25 1.14 -0.21 0.00 -1.03 0.00 0.00 54.13 54.29 3iio s LEU 26 Cb 0.20 -2.90 -0.10 0.00 0.03 0.00 0.00 46.19 43.42 3iio s LEU 26 CO 0.50 0.25 1.65 0.03 0.23 0.00 0.00 176.35 179.01 3iio h ARG 27 N 4.36 0.22 -3.84 1.70 3.08 -1.90 -3.42 114.38 114.58 3iio h ARG 27 Ca -0.50 -0.03 -0.52 0.00 0.07 0.00 0.00 59.98 58.99 3iio h ARG 27 Cb 1.21 -0.04 -0.39 0.00 0.08 0.00 0.00 29.97 30.83 3iio h ARG 27 CO 0.63 0.27 -0.78 0.34 -1.07 0.00 0.00 179.97 179.37 3iio s ASP 28 N -5.50 2.73 0.30 7.04 -1.08 -1.26 -5.01 116.67 113.89 3iio s ASP 28 Ca -0.14 -0.67 -0.01 0.00 -0.52 0.00 0.00 52.55 51.22 3iio s ASP 28 Cb 0.07 -0.72 0.48 0.00 -1.46 0.00 0.00 42.92 41.28 3iio s ASP 28 CO 0.69 -0.24 1.91 0.28 0.52 0.00 0.00 175.17 178.34 3iio h SER 29 N 8.19 0.81 -0.03 -0.34 0.02 -1.92 -3.17 113.55 117.11 3iio h SER 29 Ca -0.20 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3iio h SER 29 Cb 1.11 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.45 3iio h SER 29 CO 0.35 0.68 -0.00 0.61 -1.14 0.00 0.00 176.83 177.33 3iio n GLY 30 N -1.16 0.82 3.61 -3.77 0.00 -1.26 -3.38 105.19 100.04 3iio n GLY 30 Ca 0.06 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.00 6.40 0.40 1.61 -1.08 -1.20 -0.21 116.67 120.59 3iio s ASP 31 Ca 0.30 0.90 0.20 0.00 -0.52 0.00 0.00 52.55 53.43 3iio s ASP 31 Cb 0.20 -2.54 0.75 0.00 -1.46 0.00 0.00 42.92 39.87 3iio s ASP 31 CO 0.31 -1.37 1.76 -0.65 0.52 0.00 0.00 175.17 175.74 3iio h PRO 32 N 10.43 0.00 0.03 4.34 0.11 -1.90 -2.64 132.00 142.37 3iio h PRO 32 Ca -0.27 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 3iio h PRO 32 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3iio h PRO 32 CO 1.08 0.32 -0.01 0.28 -0.21 0.00 0.00 178.00 179.46 3iio h VAL 33 N 0.00 1.42 -0.85 3.15 2.07 -1.92 -0.62 116.25 119.50 3iio h VAL 33 Ca -0.00 -1.52 0.16 0.00 0.82 0.00 0.00 66.70 66.15 3iio h VAL 33 Cb 0.85 2.42 -0.10 0.00 -1.52 0.00 0.00 31.29 32.94 3iio h VAL 33 CO 0.04 0.38 0.42 -0.08 0.02 0.00 0.00 177.57 178.35 3iio h GLU 34 N -0.71 0.55 0.06 1.57 4.81 -1.92 0.46 114.58 119.40 3iio h GLU 34 Ca -0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3iio h GLU 34 Cb 0.65 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3iio h GLU 34 CO 0.01 0.37 -0.03 1.25 -0.73 0.00 0.00 179.01 179.87 3iio h LEU 35 N 0.57 -0.07 -0.89 1.64 5.85 -1.49 -0.50 115.31 120.43 3iio h LEU 35 Ca 0.47 -0.47 0.17 0.00 0.84 0.00 0.00 57.88 58.90 3iio h LEU 35 Cb 0.72 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.66 3iio h LEU 35 CO -0.39 0.45 0.45 1.23 -0.34 0.00 0.00 178.44 179.84 3iio h GLY 36 N -0.63 1.49 0.67 3.75 0.00 -0.95 -0.15 103.07 107.25 3iio h GLY 36 Ca -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3iio h GLY 36 CO 0.01 -0.10 -0.02 1.70 0.00 0.00 0.00 176.54 178.13 3iio h LYS 37 N 0.58 -0.06 -0.47 4.80 3.64 -0.85 -0.98 116.57 123.24 3iio h LYS 37 Ca 0.51 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.98 3iio h LYS 37 Cb 0.81 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.57 3iio h LYS 37 CO -0.41 0.28 0.05 0.35 -2.27 0.00 0.00 179.45 177.45 3iio h PHE 38 N -0.39 0.07 -0.54 1.91 3.57 -0.65 -1.88 116.94 119.03 3iio h PHE 38 Ca -0.01 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.58 3iio h PHE 38 Cb 0.36 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 3iio h PHE 38 CO 0.04 -0.05 0.26 1.88 -2.23 0.00 0.00 178.31 178.21 3iio h TYR 39 N 0.17 0.48 0.00 0.41 0.05 -0.92 -1.06 116.97 116.10 3iio h TYR 39 Ca 0.23 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 59.03 3iio h TYR 39 Cb 0.33 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 3iio h TYR 39 CO -0.25 0.22 -0.02 0.66 -1.05 0.00 0.00 178.16 177.72 3iio h SER 40 N 0.51 0.00 1.22 3.88 4.64 -0.81 -0.85 113.55 122.14 3iio h SER 40 Ca 0.25 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.44 3iio h SER 40 Cb 0.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3iio h SER 40 CO -0.18 0.02 -0.81 -0.33 -0.87 0.00 0.00 176.83 174.65 3iio h GLU 41 N 0.00 0.00 -0.42 4.77 5.08 -0.43 -3.35 114.58 120.23 3iio h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iio h GLU 41 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3iio h GLU 41 CO 0.00 0.47 0.00 0.44 -1.00 0.00 0.00 179.01 178.92 3iio n ILE 42 N -3.13 0.64 0.00 3.13 -5.35 -0.54 -4.95 119.36 109.16 3iio n ILE 42 Ca -0.02 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.64 3iio n ILE 42 Cb 0.78 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.51 3iio n ILE 42 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iio n GLY 43 N 1.29 1.26 3.73 3.28 0.00 -0.99 -4.36 105.19 109.40 3iio n GLY 43 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.95 4.25 -0.04 -0.61 -1.09 -0.36 -4.90 121.20 116.50 3iio s ILE 44 Ca 0.00 1.93 -0.08 0.00 -2.23 0.00 0.00 60.65 60.27 3iio s ILE 44 Cb 0.00 -4.23 -0.29 0.00 -1.58 0.00 0.00 42.46 36.36 3iio s ILE 44 CO 0.00 0.32 0.71 0.44 -1.23 0.00 0.00 174.94 175.18 3iio h ASP 45 N 5.28 0.53 -5.06 3.58 3.32 -1.53 -3.40 116.42 119.14 3iio h ASP 45 Ca -0.44 -0.80 -0.11 0.00 0.02 0.00 0.00 57.03 55.71 3iio h ASP 45 Cb 1.21 -0.17 -0.17 0.00 0.22 0.00 0.00 39.33 40.41 3iio h ASP 45 CO 0.72 1.67 -0.37 -1.61 -1.72 0.00 0.00 179.24 177.93 3iio s GLU 46 N -2.59 0.70 0.02 3.56 2.02 -1.24 -4.30 118.70 116.87 3iio s GLU 46 Ca -0.14 -0.59 0.07 0.00 0.02 0.00 0.00 54.97 54.34 3iio s GLU 46 Cb 0.06 0.29 -0.03 0.00 0.10 0.00 0.00 34.13 34.55 3iio s GLU 46 CO 0.85 -0.20 -0.21 -0.51 0.02 0.00 0.00 175.26 175.21 3iio s LEU 47 N -2.02 2.44 -0.12 1.80 1.43 -0.47 -2.28 118.68 119.45 3iio s LEU 47 Ca -0.06 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3iio s LEU 47 Cb -0.01 -1.44 -0.00 0.00 0.03 0.00 0.00 46.19 44.77 3iio s LEU 47 CO -0.03 0.27 -0.20 -0.44 0.23 0.00 0.00 176.35 176.18 3iio s SER 48 N -1.20 3.39 -0.16 2.29 0.01 -0.13 -0.50 113.70 117.40 3iio s SER 48 Ca 0.13 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 56.88 3iio s SER 48 Cb -0.10 -1.49 -0.01 0.00 0.21 0.00 0.00 66.02 64.63 3iio s SER 48 CO 0.03 0.14 -0.12 -0.36 0.41 0.00 0.00 173.24 173.34 3iio s PHE 49 N 0.49 2.83 -0.30 2.43 0.08 -0.03 0.80 117.98 124.28 3iio s PHE 49 Ca -0.13 -0.88 0.02 0.00 0.12 0.00 0.00 56.93 56.05 3iio s PHE 49 Cb -0.17 -1.92 0.07 0.00 -0.57 0.00 0.00 43.02 40.44 3iio s PHE 49 CO 0.05 -0.39 -0.02 -0.46 -0.10 0.00 0.00 175.22 174.30 3iio s TRP 50 N 0.78 3.42 -0.10 0.36 -0.11 0.66 -1.21 118.94 122.75 3iio s TRP 50 Ca -0.05 -2.40 -0.28 0.00 1.22 0.00 0.00 56.10 54.59 3iio s TRP 50 Cb -0.15 -2.33 -0.02 0.00 -1.50 0.00 0.00 33.47 29.47 3iio s TRP 50 CO 0.01 -0.89 0.95 0.34 -4.62 0.00 0.00 176.95 172.74 3iio s ASP 51 N 1.15 7.19 -0.28 5.86 2.15 -0.73 0.45 116.67 132.46 3iio s ASP 51 Ca -0.02 1.46 0.10 0.00 0.43 0.00 0.00 52.55 54.52 3iio s ASP 51 Cb -0.20 -2.53 0.51 0.00 -0.30 0.00 0.00 42.92 40.40 3iio s ASP 51 CO -0.05 -0.39 1.47 2.30 -0.17 0.00 0.00 175.17 178.33 3iio n ILE 52 N 4.43 2.53 -1.62 4.11 -5.35 0.16 -4.47 119.36 119.15 3iio n ILE 52 Ca 0.07 -2.61 -0.44 0.00 -0.27 0.00 0.00 62.75 59.49 3iio n ILE 52 Cb 0.49 -0.31 -0.04 0.00 -1.74 0.00 0.00 39.64 38.04 3iio n ILE 52 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3iio n THR 53 N -1.05 0.53 -2.75 7.28 -1.04 -1.26 -4.87 114.28 111.12 3iio n THR 53 Ca 0.32 -0.27 -0.43 0.00 -2.04 0.00 0.00 64.05 61.63 3iio n THR 53 Cb 1.03 -2.28 -0.01 0.00 -1.82 0.00 0.00 70.33 67.25 3iio n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iio s ALA 54 N 6.12 3.44 0.00 2.41 0.00 -1.26 -4.71 121.76 127.77 3iio s ALA 54 Ca 0.96 -2.92 0.00 0.00 0.00 0.00 0.00 51.96 50.00 3iio s ALA 54 Cb -0.48 -4.36 0.00 0.00 0.00 0.00 0.00 23.12 18.28 3iio s ALA 54 CO 0.42 -3.14 0.00 -1.13 0.00 0.00 0.00 175.76 171.91 3iio n SER 55 N 7.30 0.00 0.00 0.00 3.41 -1.26 -4.78 113.62 118.29 3iio n SER 55 Ca 0.38 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 59.06 3iio n SER 55 Cb 0.46 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.83 3iio n SER 55 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3iio n VAL 56 N 0.00 0.00 0.02 -3.33 0.31 -1.26 -4.51 118.33 109.56 3iio n VAL 56 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 3iio n VAL 56 Cb 0.00 -0.64 0.27 0.00 -0.91 0.00 0.00 33.84 32.56 3iio n VAL 56 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3iio n GLU 57 N -0.91 2.62 0.12 5.55 -0.58 -1.26 -4.52 120.64 121.65 3iio n GLU 57 Ca 0.11 -2.20 -0.13 0.00 -0.42 0.00 0.00 57.16 54.51 3iio n GLU 57 Cb 0.05 -1.55 -0.08 0.00 -0.57 0.00 0.00 31.44 29.29 3iio n GLU 57 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3iio h LYS 58 N 3.46 -0.26 -0.43 3.49 3.64 -1.84 -1.35 116.57 123.27 3iio h LYS 58 Ca 0.00 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3iio h LYS 58 Cb 0.92 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.74 3iio h LYS 58 CO 0.05 -0.01 0.08 -0.09 -2.27 0.00 0.00 179.45 177.22 3iio h ARG 59 N -0.50 0.21 -0.39 1.90 2.43 -1.95 -0.62 114.38 115.47 3iio h ARG 59 Ca -0.03 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 3iio h ARG 59 Cb 0.37 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3iio h ARG 59 CO 0.05 0.14 -0.15 -0.22 -1.51 0.00 0.00 179.97 178.27 3iio h LYS 60 N 0.21 0.79 -0.88 0.20 3.64 -1.87 -2.19 116.57 116.47 3iio h LYS 60 Ca 0.21 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3iio h LYS 60 Cb 0.26 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 3iio h LYS 60 CO -0.28 0.95 0.49 1.15 -2.27 0.00 0.00 179.45 179.50 3iio h THR 61 N 0.60 1.25 0.25 1.00 2.02 -0.97 -1.15 112.91 115.92 3iio h THR 61 Ca 0.09 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 3iio h THR 61 Cb 0.70 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3iio h THR 61 CO 0.05 0.28 -0.12 0.24 0.37 0.00 0.00 175.52 176.34 3iio h MET 62 N 1.23 -0.33 -0.67 6.66 2.86 -1.00 -2.33 114.93 121.36 3iio h MET 62 Ca 0.31 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 58.05 3iio h MET 62 Cb 0.01 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.68 3iio h MET 62 CO -0.05 0.02 0.35 -0.07 1.06 0.00 0.00 176.91 178.22 3iio h LEU 63 N -0.74 0.49 -1.31 1.22 3.38 -1.36 -0.62 115.31 116.37 3iio h LEU 63 Ca -0.03 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3iio h LEU 63 Cb 0.50 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 3iio h LEU 63 CO 0.06 0.31 0.54 -0.33 0.09 0.00 0.00 178.44 179.10 3iio h GLU 64 N 0.63 0.74 -0.08 1.13 5.08 -1.27 -1.57 114.58 119.23 3iio h GLU 64 Ca 0.31 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.46 3iio h GLU 64 Cb 0.25 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.35 3iio h GLU 64 CO -0.22 0.49 -0.59 1.25 -1.00 0.00 0.00 179.01 178.94 3iio h LEU 65 N 0.76 0.66 -0.93 1.33 5.85 -0.59 -2.08 115.31 120.30 3iio h LEU 65 Ca 0.38 -0.67 -0.07 0.00 0.84 0.00 0.00 57.88 58.36 3iio h LEU 65 Cb 0.46 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3iio h LEU 65 CO -0.15 1.23 0.00 -0.37 -0.34 0.00 0.00 178.44 178.81 3iio h VAL 66 N 0.14 1.24 0.24 1.05 -1.51 -1.01 0.15 116.25 116.56 3iio h VAL 66 Ca -0.05 -0.99 -0.01 0.00 -1.23 0.00 0.00 66.70 64.42 3iio h VAL 66 Cb 1.25 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 3iio h VAL 66 CO 0.12 0.35 -0.11 -0.08 -1.23 0.00 0.00 177.57 176.62 3iio h GLU 67 N 0.73 -0.31 -0.90 5.19 4.81 -1.33 0.27 114.58 123.05 3iio h GLU 67 Ca 0.14 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 3iio h GLU 67 Cb 0.44 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 3iio h GLU 67 CO 0.02 -0.13 0.58 0.87 -0.73 0.00 0.00 179.01 179.62 3iio h LYS 68 N -0.42 1.07 -0.10 1.92 1.57 -1.24 -2.67 116.57 116.69 3iio h LYS 68 Ca -0.03 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 3iio h LYS 68 Cb 0.32 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3iio h LYS 68 CO 0.05 0.71 -0.16 0.28 -0.57 0.00 0.00 179.45 179.75 3iio h VAL 69 N 1.10 1.39 -0.99 0.50 2.07 -0.54 -3.17 116.25 116.61 3iio h VAL 69 Ca 0.37 -1.42 0.25 0.00 0.82 0.00 0.00 66.70 66.72 3iio h VAL 69 Cb 0.07 2.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 3iio h VAL 69 CO -0.14 0.41 0.66 0.00 0.02 0.00 0.00 177.57 178.51 3iio h ALA 70 N 0.53 2.36 0.01 1.67 0.00 -0.43 -1.41 119.26 121.99 3iio h ALA 70 Ca 0.01 0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 3iio h ALA 70 Cb 0.73 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3iio h ALA 70 CO 0.04 -0.70 -0.96 0.93 0.00 0.00 0.00 179.25 178.56 3iio h GLU 71 N 0.33 0.41 0.00 0.00 5.08 -1.48 -3.39 114.58 115.54 3iio h GLU 71 Ca 0.53 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3iio h GLU 71 Cb 1.46 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.84 3iio h GLU 71 CO -0.19 1.12 -1.08 1.04 -1.00 0.00 0.00 179.01 178.90 3iio n GLN 72 N -3.74 1.50 -5.21 2.33 6.02 -1.07 -4.96 117.38 112.26 3iio n GLN 72 Ca -0.07 -0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.55 3iio n GLN 72 Cb 0.85 -1.26 -0.17 0.00 1.02 0.00 0.00 30.24 30.68 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 -2.64 2.02 -1.34 5.09 1.01 -0.56 -4.94 121.20 119.85 3iio s ILE 73 Ca 0.01 -1.01 0.18 0.00 0.00 0.00 0.00 60.65 59.83 3iio s ILE 73 Cb 0.10 -1.74 0.59 0.00 0.01 0.00 0.00 42.46 41.43 3iio s ILE 73 CO 0.61 0.55 1.51 -0.90 0.00 0.00 0.00 174.94 176.71 3iio n ASP 74 N 3.38 4.02 -4.83 3.58 5.75 -1.26 -4.75 116.55 122.44 3iio n ASP 74 Ca -0.19 -2.22 -0.22 0.00 -0.01 0.00 0.00 54.79 52.16 3iio n ASP 74 Cb 0.53 -0.47 -0.04 0.00 -1.03 0.00 0.00 41.12 40.11 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 -1.41 4.04 0.45 2.12 -4.36 -1.26 -5.08 121.20 115.70 3iio s ILE 75 Ca 0.44 -1.40 -0.26 0.00 -0.26 0.00 0.00 60.65 59.18 3iio s ILE 75 Cb 0.26 -3.30 -0.08 0.00 1.25 0.00 0.00 42.46 40.58 3iio s ILE 75 CO 0.25 -0.28 1.44 -2.84 0.24 0.00 0.00 174.94 173.76 3iio s PRO 76 N -3.91 3.71 0.04 0.37 0.02 -1.26 -4.85 135.00 129.13 3iio s PRO 76 Ca 0.36 2.46 0.03 0.00 0.02 0.00 0.00 61.00 63.87 3iio s PRO 76 Cb -0.07 -2.68 -0.02 0.00 0.02 0.00 0.00 34.50 31.75 3iio s PRO 76 CO 0.26 -0.81 -0.09 -0.59 -0.33 0.00 0.00 177.00 175.43 3iio s PHE 77 N -1.19 0.77 -0.07 6.54 -0.12 -1.26 -1.37 117.98 121.28 3iio s PHE 77 Ca 0.60 -0.47 0.01 0.00 -0.05 0.00 0.00 56.93 57.03 3iio s PHE 77 Cb -0.44 -0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 41.46 3iio s PHE 77 CO 0.58 -0.05 -0.09 0.99 -0.05 0.00 0.00 175.22 176.59 3iio s THR 78 N -1.29 3.51 -0.03 -4.49 2.01 0.34 -2.41 115.64 113.28 3iio s THR 78 Ca -0.08 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.37 3iio s THR 78 Cb -0.10 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 3iio s THR 78 CO 0.01 0.59 0.05 0.68 -0.69 0.00 0.00 174.62 175.25 3iio s VAL 79 N -0.68 4.54 0.35 3.82 -7.23 -0.68 -0.85 120.40 119.67 3iio s VAL 79 Ca 0.10 -0.37 -0.05 0.00 -1.81 0.00 0.00 61.98 59.86 3iio s VAL 79 Cb -0.11 -3.01 0.01 0.00 0.56 0.00 0.00 36.38 33.82 3iio s VAL 79 CO 0.01 0.44 0.53 -0.83 -0.31 0.00 0.00 175.10 174.94 3iio s GLY 80 N -1.42 1.28 0.00 2.32 0.00 -0.35 -0.04 107.32 109.12 3iio s GLY 80 Ca 0.19 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.53 3iio s GLY 80 CO 0.09 -0.88 0.00 0.61 0.00 0.00 0.00 173.10 172.92 3iio n GLY 81 N -0.55 0.02 2.10 0.20 0.00 -1.26 -1.77 105.19 103.92 3iio n GLY 81 Ca -0.01 -0.79 -0.05 0.00 0.00 0.00 0.00 46.02 45.17 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 0.54 0.18 3.51 -0.02 0.00 -1.26 -4.69 105.19 103.45 3iio n GLY 82 Ca 0.00 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.32 4.60 -0.32 -0.61 1.01 -1.26 -4.86 121.20 117.43 3iio s ILE 83 Ca 0.01 0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.85 3iio s ILE 83 Cb -0.00 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 3iio s ILE 83 CO 0.01 -0.90 0.29 1.41 0.00 0.00 0.00 174.94 175.76 3iio n HIS 84 N 6.89 0.00 -3.86 3.97 8.25 -1.26 -4.63 115.22 124.58 3iio n HIS 84 Ca -0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 3iio n HIS 84 Cb 0.47 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.57 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 -1.30 -0.22 0.23 0.41 1.47 -1.26 -4.89 116.67 111.10 3iio s ASP 85 Ca 0.03 -0.68 -0.08 0.00 1.18 0.00 0.00 52.55 53.00 3iio s ASP 85 Cb 0.04 0.74 0.24 0.00 -0.34 0.00 0.00 42.92 43.60 3iio s ASP 85 CO 0.18 -1.38 1.87 0.15 0.68 0.00 0.00 175.17 176.67 3iio h PHE 86 N 2.01 0.96 -0.75 2.11 3.57 -1.97 -2.60 116.94 120.27 3iio h PHE 86 Ca -0.21 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.34 3iio h PHE 86 Cb 1.25 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 3iio h PHE 86 CO 0.53 0.55 0.48 0.93 -2.23 0.00 0.00 178.31 178.58 3iio h GLU 87 N 1.00 0.93 -0.19 1.11 3.07 -1.99 0.16 114.58 118.68 3iio h GLU 87 Ca 0.32 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 59.10 3iio h GLU 87 Cb 0.02 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.71 3iio h GLU 87 CO -0.12 0.62 -0.01 1.15 -1.40 0.00 0.00 179.01 179.25 3iio h THR 88 N 0.96 1.26 -0.37 1.13 2.02 -1.90 -2.54 112.91 113.49 3iio h THR 88 Ca 0.29 -0.90 0.01 0.00 0.77 0.00 0.00 66.41 66.57 3iio h THR 88 Cb -0.04 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 3iio h THR 88 CO -0.09 0.27 0.24 0.00 0.37 0.00 0.00 175.52 176.31 3iio h ALA 89 N 0.77 0.46 -0.33 6.16 0.00 -1.17 -2.87 119.26 122.29 3iio h ALA 89 Ca 0.05 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3iio h ALA 89 Cb 0.41 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3iio h ALA 89 CO 0.01 -0.08 -0.11 1.03 0.00 0.00 0.00 179.25 180.10 3iio h SER 90 N 0.49 -0.39 0.80 0.00 0.87 -0.62 -1.24 113.55 113.46 3iio h SER 90 Ca 0.14 0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.73 3iio h SER 90 Cb -0.05 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3iio h SER 90 CO -0.03 -0.14 -0.37 -0.33 -0.53 0.00 0.00 176.83 175.42 3iio h GLU 91 N -0.04 0.00 -0.22 2.24 5.08 -1.38 0.12 114.58 120.38 3iio h GLU 91 Ca 0.16 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.39 3iio h GLU 91 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3iio h GLU 91 CO -0.36 0.37 -0.39 -0.07 -1.00 0.00 0.00 179.01 177.56 3iio h LEU 92 N 0.00 0.71 0.04 1.33 3.38 -1.25 -1.83 115.31 117.70 3iio h LEU 92 Ca -0.00 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 3iio h LEU 92 Cb 0.87 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3iio h LEU 92 CO 0.05 1.12 -0.02 0.40 0.09 0.00 0.00 178.44 180.07 3iio h ILE 93 N 0.34 1.17 0.00 1.22 2.04 -0.91 -1.85 117.51 119.52 3iio h ILE 93 Ca 0.01 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 3iio h ILE 93 Cb 0.99 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.71 3iio h ILE 93 CO 0.09 0.18 -0.02 -0.07 0.00 0.00 0.00 178.15 178.33 3iio h LEU 94 N -0.38 0.00 0.00 1.44 3.38 -0.84 0.13 115.31 119.04 3iio h LEU 94 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3iio h LEU 94 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3iio h LEU 94 CO 0.01 0.02 -0.24 -1.14 0.09 0.00 0.00 178.44 177.18 3iio n ARG 95 N -3.59 0.07 0.00 1.13 3.00 -0.69 -4.93 116.66 111.65 3iio n ARG 95 Ca -0.03 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 3iio n ARG 95 Cb 0.11 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 31.01 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 1.45 0.49 3.71 5.14 0.00 0.46 -4.09 105.19 112.35 3iio n GLY 96 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.46 3.67 0.22 4.61 0.00 -0.73 -4.69 121.76 123.39 3iio s ALA 97 Ca 0.00 1.19 -0.06 0.00 0.00 0.00 0.00 51.96 53.09 3iio s ALA 97 Cb 0.00 -3.62 0.19 0.00 0.00 0.00 0.00 23.12 19.70 3iio s ALA 97 CO 0.00 -0.84 1.74 -0.44 0.00 0.00 0.00 175.76 176.22 3iio h ASP 98 N 7.36 0.99 -5.11 0.00 3.32 -1.86 -3.40 116.42 117.72 3iio h ASP 98 Ca -0.42 -0.21 -0.14 0.00 0.02 0.00 0.00 57.03 56.28 3iio h ASP 98 Cb 1.20 -0.26 -0.18 0.00 0.22 0.00 0.00 39.33 40.31 3iio h ASP 98 CO 0.90 0.97 -0.66 -0.54 -1.72 0.00 0.00 179.24 178.18 3iio s LYS 99 N -5.24 0.48 -0.01 3.56 1.02 -1.01 -4.30 119.74 114.25 3iio s LYS 99 Ca -0.11 -0.90 0.07 0.00 0.02 0.00 0.00 55.97 55.05 3iio s LYS 99 Cb 0.15 0.17 -0.02 0.00 -0.52 0.00 0.00 37.83 37.61 3iio s LYS 99 CO 0.84 -0.09 -0.23 0.14 -0.92 0.00 0.00 175.35 175.09 3iio s VAL 100 N -2.72 2.38 -0.20 3.17 -7.23 -0.19 -1.69 120.40 113.93 3iio s VAL 100 Ca -0.04 -1.08 -0.10 0.00 -1.81 0.00 0.00 61.98 58.95 3iio s VAL 100 Cb -0.01 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 3iio s VAL 100 CO -0.06 0.52 0.13 -0.70 -0.31 0.00 0.00 175.10 174.68 3iio s GLU 101 N -0.84 4.17 0.11 4.82 2.12 0.94 -1.36 118.70 128.67 3iio s GLU 101 Ca 0.11 -0.22 0.07 0.00 0.36 0.00 0.00 54.97 55.28 3iio s GLU 101 Cb -0.10 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 3iio s GLU 101 CO 0.01 0.31 -0.16 0.96 -0.54 0.00 0.00 175.26 175.83 3iio s ILE 102 N 0.34 1.42 0.00 -3.70 -4.36 -0.25 -4.54 121.20 110.11 3iio s ILE 102 Ca 0.08 -1.61 0.00 0.00 -0.26 0.00 0.00 60.65 58.86 3iio s ILE 102 Cb -0.11 -1.47 0.00 0.00 1.25 0.00 0.00 42.46 42.13 3iio s ILE 102 CO -0.02 -0.28 0.00 -3.20 0.24 0.00 0.00 174.94 171.68 3iio n ASN 103 N 0.79 0.00 -0.22 4.36 2.85 -1.26 -0.89 115.26 120.88 3iio n ASN 103 Ca -0.17 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.32 3iio n ASN 103 Cb 0.56 0.00 0.26 0.00 1.24 0.00 0.00 39.78 41.84 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 1.15 -0.01 -0.44 2.02 -1.92 -1.26 112.91 112.45 3iio h THR 104 Ca 0.00 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.73 3iio h THR 104 Cb 0.00 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 3iio h THR 104 CO 0.00 0.18 -0.53 0.00 0.37 0.00 0.00 175.52 175.53 3iio h ALA 105 N 1.54 1.10 -0.08 6.16 0.00 -1.90 -1.51 119.26 124.57 3iio h ALA 105 Ca 0.30 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3iio h ALA 105 Cb -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3iio h ALA 105 CO -0.08 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.84 3iio h ALA 106 N 1.44 0.10 -0.45 0.00 0.00 -1.52 -2.22 119.26 116.62 3iio h ALA 106 Ca -0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3iio h ALA 106 Cb 0.95 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3iio h ALA 106 CO 0.07 -0.23 0.03 0.28 0.00 0.00 0.00 179.25 179.40 3iio h VAL 107 N -0.14 1.23 0.00 0.00 2.07 -1.12 -1.20 116.25 117.09 3iio h VAL 107 Ca 0.02 -0.90 -0.19 0.00 0.82 0.00 0.00 66.70 66.45 3iio h VAL 107 Cb 0.33 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3iio h VAL 107 CO 0.00 0.32 -0.92 -0.33 0.02 0.00 0.00 177.57 176.66 3iio h GLU 108 N 0.68 0.00 -2.23 1.57 5.08 -1.30 -3.39 114.58 114.99 3iio h GLU 108 Ca 0.14 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.95 3iio h GLU 108 Cb 0.38 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.27 3iio h GLU 108 CO 0.01 0.92 -0.93 1.21 -1.00 0.00 0.00 179.01 179.22 3iio s ASN 109 N -6.70 1.13 0.59 1.42 2.47 -0.84 -5.02 114.94 107.99 3iio s ASN 109 Ca 0.01 -2.92 0.28 0.00 0.42 0.00 0.00 52.86 50.65 3iio s ASN 109 Cb 0.10 -0.20 1.55 0.00 -1.45 0.00 0.00 41.25 41.26 3iio s ASN 109 CO 0.81 -0.16 2.00 -0.65 -3.72 0.00 0.00 177.10 175.37 3iio h PRO 110 N 5.59 0.00 0.00 0.43 0.11 -1.43 0.45 132.00 137.15 3iio h PRO 110 Ca 0.25 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 3iio h PRO 110 Cb 0.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 3iio h PRO 110 CO 0.33 0.00 -0.00 0.77 -0.21 0.00 0.00 178.00 178.89 3iio h SER 111 N 0.00 0.00 -0.95 -2.05 0.02 -1.94 -2.47 113.55 106.16 3iio h SER 111 Ca 0.15 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3iio h SER 111 Cb 0.84 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.33 3iio h SER 111 CO -0.00 0.00 0.63 0.25 -1.14 0.00 0.00 176.83 176.57 3iio h LEU 112 N 0.00 1.06 -0.58 5.07 5.85 -0.41 -0.01 115.31 126.29 3iio h LEU 112 Ca -0.00 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.81 3iio h LEU 112 Cb 0.00 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 40.70 3iio h LEU 112 CO 0.00 0.75 0.13 0.40 -0.34 0.00 0.00 178.44 179.38 3iio h ILE 113 N 1.25 0.66 -0.23 4.05 2.04 -1.61 -2.31 117.51 121.36 3iio h ILE 113 Ca 0.36 -0.09 -0.14 0.00 1.00 0.00 0.00 64.86 66.00 3iio h ILE 113 Cb -0.07 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3iio h ILE 113 CO -0.10 0.05 -0.40 0.74 0.00 0.00 0.00 178.15 178.44 3iio h THR 114 N 0.26 1.31 0.08 -0.27 2.02 -1.34 -1.02 112.91 113.95 3iio h THR 114 Ca 0.30 -1.61 0.02 0.00 0.77 0.00 0.00 66.41 65.90 3iio h THR 114 Cb 0.44 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 68.57 3iio h THR 114 CO -0.38 0.51 -0.42 1.56 0.37 0.00 0.00 175.52 177.15 3iio h GLN 115 N 0.39 -0.60 -0.62 6.66 4.20 -0.91 0.35 115.11 124.58 3iio h GLN 115 Ca 0.02 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 3iio h GLN 115 Cb 0.99 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.88 3iio h GLN 115 CO 0.09 -0.40 0.22 0.82 -0.67 0.00 0.00 178.83 178.88 3iio h ILE 116 N -0.63 1.24 -0.54 2.54 2.04 -1.36 -2.75 117.51 118.05 3iio h ILE 116 Ca 0.03 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 3iio h ILE 116 Cb 0.67 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3iio h ILE 116 CO -0.27 0.30 0.32 0.00 0.00 0.00 0.00 178.15 178.51 3iio h ALA 117 N 1.08 0.69 0.00 1.87 0.00 -0.99 0.17 119.26 122.08 3iio h ALA 117 Ca 0.20 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3iio h ALA 117 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3iio h ALA 117 CO -0.01 0.18 -0.40 1.96 0.00 0.00 0.00 179.25 180.98 3iio h GLN 118 N 0.73 0.00 0.08 0.00 4.20 -0.83 0.54 115.11 119.82 3iio h GLN 118 Ca 0.19 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.66 3iio h GLN 118 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3iio h GLN 118 CO -0.04 0.40 -1.27 1.15 -0.67 0.00 0.00 178.83 178.41 3iio h THR 119 N 0.00 1.07 -0.01 -0.54 2.02 -1.31 -3.41 112.91 110.73 3iio h THR 119 Ca -0.00 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.83 3iio h THR 119 Cb 0.75 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.84 3iio h THR 119 CO 0.05 0.63 -0.21 0.49 0.37 0.00 0.00 175.52 176.84 3iio n PHE 120 N -4.07 0.00 0.00 3.16 3.72 0.59 -5.10 117.46 115.76 3iio n PHE 120 Ca -0.25 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 3iio n PHE 120 Cb 0.82 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.36 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 0.89 0.96 0.32 1.37 0.00 0.19 -4.48 105.19 104.45 3iio n GLY 121 Ca 0.04 -1.49 0.21 0.00 0.00 0.00 0.00 46.02 44.78 3iio n GLY 121 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iio h SER 122 N 0.00 0.00 0.91 1.61 4.64 -1.78 -1.61 113.55 117.33 3iio h SER 122 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iio h SER 122 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3iio h SER 122 CO 0.00 0.00 -0.02 0.06 -0.87 0.00 0.00 176.83 176.00 3iio h GLN 123 N 0.00 0.00 0.00 4.77 -0.00 -1.87 0.25 115.11 118.25 3iio h GLN 123 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3iio h GLN 123 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.59 3iio h GLN 123 CO 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 178.83 178.85 3iio n ALA 124 N -2.11 2.34 -3.73 0.06 0.00 -0.60 -4.74 120.51 111.73 3iio n ALA 124 Ca 0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 53.44 52.97 3iio n ALA 124 Cb 0.29 -1.44 -0.15 0.00 0.00 0.00 0.00 19.45 18.16 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 -2.58 2.88 -0.19 0.00 1.01 -0.95 -1.02 120.40 119.55 3iio s VAL 125 Ca 0.25 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 3iio s VAL 125 Cb 0.18 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 3iio s VAL 125 CO 0.41 0.37 -0.06 -0.69 0.00 0.00 0.00 175.10 175.13 3iio s VAL 126 N 1.38 3.38 -0.28 2.92 1.01 -0.46 -1.88 120.40 126.46 3iio s VAL 126 Ca 0.04 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 3iio s VAL 126 Cb -0.15 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3iio s VAL 126 CO -0.06 0.46 0.15 -0.69 0.00 0.00 0.00 175.10 174.96 3iio s VAL 127 N 1.02 4.89 -0.09 2.92 1.01 -0.51 -1.09 120.40 128.54 3iio s VAL 127 Ca 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.73 3iio s VAL 127 Cb -0.15 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 3iio s VAL 127 CO -0.00 0.25 0.67 -0.47 0.00 0.00 0.00 175.10 175.55 3iio s TYR 128 N 1.69 3.55 -0.23 5.22 5.04 -0.07 -1.65 117.35 130.90 3iio s TYR 128 Ca 0.07 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 55.88 3iio s TYR 128 Cb -0.16 -2.78 0.03 0.00 0.35 0.00 0.00 41.96 39.40 3iio s TYR 128 CO 0.08 0.06 -0.11 0.42 -1.34 0.00 0.00 175.55 174.66 3iio s ILE 129 N 0.93 2.51 -0.25 3.14 1.01 -0.13 -4.47 121.20 123.94 3iio s ILE 129 Ca 0.35 -1.11 -0.14 0.00 0.00 0.00 0.00 60.65 59.75 3iio s ILE 129 Cb -0.17 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 3iio s ILE 129 CO 0.16 0.25 0.34 0.00 0.00 0.00 0.00 174.94 175.69 3iio s ALA 130 N 1.27 3.57 0.08 9.38 0.00 -1.26 -1.29 121.76 133.51 3iio s ALA 130 Ca -0.00 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3iio s ALA 130 Cb -0.16 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 3iio s ALA 130 CO -0.07 -0.49 -0.08 0.00 0.00 0.00 0.00 175.76 175.12 3iio s ALA 131 N 1.71 0.87 -0.02 0.00 0.00 0.22 -1.52 121.76 123.02 3iio s ALA 131 Ca 0.14 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 3iio s ALA 131 Cb -0.15 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.05 3iio s ALA 131 CO 0.09 -0.08 0.23 0.21 0.00 0.00 0.00 175.76 176.21 3iio s LYS 132 N -2.61 0.53 0.07 0.00 2.20 -0.79 -0.76 119.74 118.38 3iio s LYS 132 Ca 0.01 -0.16 -0.31 0.00 -0.36 0.00 0.00 55.97 55.15 3iio s LYS 132 Cb -0.03 0.23 -0.06 0.00 -1.51 0.00 0.00 37.83 36.46 3iio s LYS 132 CO -0.01 -0.13 1.19 1.03 -0.36 0.00 0.00 175.35 177.07 3iio s ARG 133 N -1.07 4.44 -0.29 4.03 0.52 -1.26 -0.85 118.95 124.47 3iio s ARG 133 Ca -0.11 1.77 -0.03 0.00 -0.52 0.00 0.00 55.73 56.84 3iio s ARG 133 Cb -0.05 -3.34 0.10 0.00 0.52 0.00 0.00 34.95 32.18 3iio s ARG 133 CO 0.02 -0.23 0.11 0.08 0.02 0.00 0.00 175.30 175.30 3iio s VAL 134 N 0.94 0.31 -1.39 3.52 1.01 0.02 -4.93 120.40 119.88 3iio s VAL 134 Ca 0.58 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 3iio s VAL 134 Cb -0.30 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 34.88 3iio s VAL 134 CO 0.30 -0.68 0.68 0.47 0.00 0.00 0.00 175.10 175.88 3iio n ASP 135 N 5.09 -1.70 0.00 3.32 8.00 -1.26 -2.15 116.55 127.86 3iio n ASP 135 Ca -0.05 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.59 3iio n ASP 135 Cb 0.42 -3.72 0.00 0.00 -0.02 0.00 0.00 41.12 37.80 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 -1.69 3.35 3.63 0.44 0.00 -1.26 -5.06 105.19 104.60 3iio n GLY 136 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.77 2.58 -0.36 1.61 0.41 -0.91 -5.09 118.70 116.18 3iio s GLU 137 Ca 0.00 -0.73 -0.27 0.00 -0.41 0.00 0.00 54.97 53.56 3iio s GLU 137 Cb 0.00 -2.54 0.02 0.00 -1.78 0.00 0.00 34.13 29.83 3iio s GLU 137 CO 0.00 0.59 0.99 -0.06 -0.49 0.00 0.00 175.26 176.29 3iio s PHE 138 N -1.08 3.09 0.06 1.61 0.08 -1.26 -0.80 117.98 119.68 3iio s PHE 138 Ca 0.19 0.93 0.05 0.00 0.12 0.00 0.00 56.93 58.22 3iio s PHE 138 Cb -0.11 -3.71 -0.04 0.00 -0.57 0.00 0.00 43.02 38.59 3iio s PHE 138 CO 0.10 -0.83 -0.05 -1.64 -0.10 0.00 0.00 175.22 172.71 3iio s MET 139 N 3.60 2.45 -0.11 0.44 -1.94 -0.03 -0.38 119.30 123.33 3iio s MET 139 Ca 0.41 -0.84 -0.21 0.00 -1.71 0.00 0.00 55.69 53.34 3iio s MET 139 Cb -0.12 -2.47 -0.04 0.00 2.01 0.00 0.00 34.83 34.21 3iio s MET 139 CO 0.18 0.56 0.62 0.08 -0.01 0.00 0.00 175.02 176.45 3iio s VAL 140 N -1.18 5.08 -0.05 -6.03 1.01 -0.33 -1.89 120.40 117.02 3iio s VAL 140 Ca 0.22 1.25 0.05 0.00 0.00 0.00 0.00 61.98 63.50 3iio s VAL 140 Cb -0.11 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 3iio s VAL 140 CO 0.13 0.25 -0.21 -0.36 0.00 0.00 0.00 175.10 174.91 3iio s PHE 141 N 0.97 2.52 0.43 5.22 0.40 -0.57 -1.69 117.98 125.26 3iio s PHE 141 Ca 0.32 -0.45 0.05 0.00 -0.60 0.00 0.00 56.93 56.26 3iio s PHE 141 Cb -0.17 -1.60 -0.06 0.00 0.51 0.00 0.00 43.02 41.70 3iio s PHE 141 CO 0.14 -0.03 0.01 0.95 0.70 0.00 0.00 175.22 176.99 3iio s THR 142 N -0.43 1.73 -0.73 0.64 -4.23 -0.25 -4.33 115.64 108.03 3iio s THR 142 Ca 0.05 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.52 3iio s THR 142 Cb -0.12 -2.79 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 3iio s THR 142 CO 0.01 0.00 0.63 -1.22 -0.54 0.00 0.00 174.62 173.51 3iio n TYR 143 N -1.01 -1.67 -3.89 3.99 4.01 -1.26 -0.39 117.16 116.93 3iio n TYR 143 Ca -0.08 0.59 -0.28 0.00 -0.16 0.00 0.00 57.90 57.97 3iio n TYR 143 Cb 0.67 -3.66 0.02 0.00 -0.31 0.00 0.00 39.34 36.06 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 -2.66 -3.76 0.00 7.72 7.64 -1.26 -2.20 113.62 119.10 3iio n SER 144 Ca -0.06 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 59.01 3iio n SER 144 Cb 0.59 -3.82 0.00 0.00 -1.01 0.00 0.00 64.21 59.96 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 -1.67 0.45 0.11 0.23 0.00 -1.20 -4.92 105.19 98.19 3iio n GLY 145 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.99 3iio n GLY 145 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iio h GLU 146 N 1.00 0.00 -5.14 1.61 5.08 -0.89 -3.45 114.58 112.79 3iio h GLU 146 Ca 0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 3iio h GLU 146 Cb 0.18 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.21 3iio h GLU 146 CO 0.00 0.35 -0.65 0.21 -1.00 0.00 0.00 179.01 177.91 3iio s LYS 147 N -2.96 3.64 -0.47 2.33 2.20 0.47 -4.99 119.74 119.98 3iio s LYS 147 Ca -0.01 -0.51 -0.29 0.00 -0.36 0.00 0.00 55.97 54.81 3iio s LYS 147 Cb 0.08 -3.08 0.03 0.00 -1.51 0.00 0.00 37.83 33.35 3iio s LYS 147 CO 0.79 0.04 1.16 1.21 -0.36 0.00 0.00 175.35 178.19 3iio s ASN 148 N 0.93 6.62 0.48 1.43 3.84 -1.26 -1.09 114.94 125.89 3iio s ASN 148 Ca 0.01 0.52 0.28 0.00 0.21 0.00 0.00 52.86 53.88 3iio s ASN 148 Cb -0.14 -2.55 1.01 0.00 -0.55 0.00 0.00 41.25 39.02 3iio s ASN 148 CO 0.02 -1.26 1.85 0.71 -2.79 0.00 0.00 177.10 175.64 3iio h THR 149 N 6.23 0.27 0.00 -5.21 1.35 -1.70 -3.47 112.91 110.39 3iio h THR 149 Ca -0.23 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 3iio h THR 149 Cb 1.06 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3iio h THR 149 CO 1.12 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 177.11 3iio n GLY 150 N 0.25 1.72 3.72 5.82 0.00 -1.26 -5.02 105.19 110.42 3iio n GLY 150 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.93 4.92 0.35 -0.61 1.01 -1.26 -4.96 121.20 117.71 3iio s ILE 151 Ca 0.00 1.61 -0.27 0.00 0.00 0.00 0.00 60.65 61.99 3iio s ILE 151 Cb 0.00 -4.11 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 3iio s ILE 151 CO 0.00 0.27 1.13 -0.76 0.00 0.00 0.00 174.94 175.58 3iio s LEU 152 N 0.56 4.34 0.17 2.97 1.43 -1.26 -1.18 118.68 125.71 3iio s LEU 152 Ca 0.40 2.28 -0.14 0.00 -1.03 0.00 0.00 54.13 55.64 3iio s LEU 152 Cb -0.19 -3.87 0.13 0.00 0.03 0.00 0.00 46.19 42.29 3iio s LEU 152 CO 0.21 -0.42 1.73 0.25 0.23 0.00 0.00 176.35 178.36 3iio h LEU 153 N 3.13 0.06 -1.25 1.79 5.85 -1.02 -1.80 115.31 122.06 3iio h LEU 153 Ca -0.48 0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.42 3iio h LEU 153 Cb 1.22 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.26 3iio h LEU 153 CO 0.64 0.07 0.57 0.08 -0.34 0.00 0.00 178.44 179.46 3iio h ARG 154 N 0.25 0.76 -0.10 1.25 0.11 -1.93 -0.49 114.38 114.22 3iio h ARG 154 Ca 0.21 -0.05 -0.12 0.00 0.10 0.00 0.00 59.98 60.12 3iio h ARG 154 Cb 0.24 -0.17 0.01 0.00 1.11 0.00 0.00 29.97 31.15 3iio h ARG 154 CO -0.25 0.50 -0.42 -0.44 0.10 0.00 0.00 179.97 179.46 3iio h ASP 155 N 0.78 0.54 -0.52 0.08 3.45 -1.80 -3.13 116.42 115.83 3iio h ASP 155 Ca 0.42 -0.63 -0.06 0.00 0.43 0.00 0.00 57.03 57.20 3iio h ASP 155 Cb 0.54 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.13 3iio h ASP 155 CO -0.19 1.08 0.11 -0.25 -1.57 0.00 0.00 179.24 178.43 3iio h TRP 156 N 0.04 0.90 -0.00 4.55 -0.00 -0.97 -1.53 115.95 118.93 3iio h TRP 156 Ca -0.02 -0.11 0.03 0.00 -0.00 0.00 0.00 58.89 58.78 3iio h TRP 156 Cb 1.06 -0.25 -0.04 0.00 -0.00 0.00 0.00 29.16 29.93 3iio h TRP 156 CO 0.12 0.80 -0.22 0.28 -0.00 0.00 0.00 178.44 179.41 3iio h VAL 157 N 0.74 0.49 -0.11 2.65 2.07 -1.20 0.19 116.25 121.07 3iio h VAL 157 Ca 0.16 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.72 3iio h VAL 157 Cb 0.36 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 3iio h VAL 157 CO 0.01 0.00 -0.19 0.58 0.02 0.00 0.00 177.57 177.99 3iio h VAL 158 N -0.35 0.52 -0.72 2.57 2.07 -1.47 -2.26 116.25 116.62 3iio h VAL 158 Ca 0.06 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.65 3iio h VAL 158 Cb 0.43 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3iio h VAL 158 CO -0.20 0.00 0.47 -0.08 0.02 0.00 0.00 177.57 177.78 3iio h GLU 159 N -0.25 0.70 -0.54 1.57 4.57 -0.89 -2.08 114.58 117.67 3iio h GLU 159 Ca 0.09 -0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 3iio h GLU 159 Cb 0.38 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 3iio h GLU 159 CO -0.26 0.47 -0.09 0.28 -1.18 0.00 0.00 179.01 178.23 3iio h VAL 160 N 0.73 1.27 -0.36 0.32 2.07 -0.08 -0.67 116.25 119.53 3iio h VAL 160 Ca 0.31 -1.24 -0.10 0.00 0.82 0.00 0.00 66.70 66.49 3iio h VAL 160 Cb 0.29 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3iio h VAL 160 CO -0.10 0.44 -0.17 -0.08 0.02 0.00 0.00 177.57 177.68 3iio h GLU 161 N 0.89 0.74 -0.78 1.57 4.81 -1.07 -2.52 114.58 118.22 3iio h GLU 161 Ca 0.14 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 3iio h GLU 161 Cb 0.65 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 3iio h GLU 161 CO 0.05 0.93 0.37 -0.22 -0.73 0.00 0.00 179.01 179.41 3iio h LYS 162 N 0.53 1.12 0.00 1.92 3.64 -1.24 -1.37 116.57 121.17 3iio h LYS 162 Ca 0.08 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3iio h LYS 162 Cb 0.71 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3iio h LYS 162 CO 0.05 0.87 0.00 0.54 -2.27 0.00 0.00 179.45 178.64 3iio n ARG 163 N -4.37 0.15 -0.03 1.90 5.12 -0.27 -4.91 116.66 114.25 3iio n ARG 163 Ca 0.07 0.43 0.00 0.00 -1.93 0.00 0.00 57.85 56.42 3iio n ARG 163 Cb 0.14 -1.82 0.00 0.00 -1.16 0.00 0.00 32.46 29.61 3iio n ARG 163 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3iio n GLY 164 N -0.22 1.27 3.76 -0.13 0.00 -0.52 -3.41 105.19 105.94 3iio n GLY 164 Ca 0.02 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 3.01 -0.11 4.61 0.00 -0.96 -4.48 121.76 121.83 3iio s ALA 165 Ca 0.00 1.21 0.15 0.00 0.00 0.00 0.00 51.96 53.31 3iio s ALA 165 Cb 0.00 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 3iio s ALA 165 CO 0.00 -1.02 1.11 0.78 0.00 0.00 0.00 175.76 176.63 3iio h GLY 166 N 2.00 0.00 -2.20 0.00 0.00 0.21 -3.45 103.07 99.63 3iio h GLY 166 Ca -0.50 0.00 0.06 0.00 0.00 0.00 0.00 47.33 46.89 3iio h GLY 166 CO 0.60 0.00 0.25 -1.83 0.00 0.00 0.00 176.54 175.56 3iio s GLU 167 N -2.90 1.66 -0.13 4.80 -1.05 -1.14 -4.23 118.70 115.70 3iio s GLU 167 Ca 0.00 -0.88 -0.00 0.00 -0.15 0.00 0.00 54.97 53.94 3iio s GLU 167 Cb 0.08 0.59 0.03 0.00 -0.44 0.00 0.00 34.13 34.39 3iio s GLU 167 CO 0.79 -0.75 -0.07 0.42 0.95 0.00 0.00 175.26 176.60 3iio s ILE 168 N -3.84 1.04 -0.20 1.83 1.01 -0.94 -1.43 121.20 118.68 3iio s ILE 168 Ca 0.09 -0.41 -0.27 0.00 0.00 0.00 0.00 60.65 60.07 3iio s ILE 168 Cb -0.05 -1.12 -0.00 0.00 0.01 0.00 0.00 42.46 41.29 3iio s ILE 168 CO 0.03 0.28 0.91 -0.69 0.00 0.00 0.00 174.94 175.47 3iio s VAL 169 N 1.69 4.80 -0.42 2.92 1.01 -0.66 -0.77 120.40 128.96 3iio s VAL 169 Ca 0.03 1.78 -0.11 0.00 0.00 0.00 0.00 61.98 63.69 3iio s VAL 169 Cb -0.14 -4.20 0.07 0.00 0.00 0.00 0.00 36.38 32.11 3iio s VAL 169 CO -0.08 -0.06 0.28 -0.22 0.00 0.00 0.00 175.10 175.02 3iio s LEU 170 N 2.63 5.20 -0.28 3.92 2.96 0.18 -0.96 118.68 132.33 3iio s LEU 170 Ca 0.40 -1.42 -0.09 0.00 -0.22 0.00 0.00 54.13 52.80 3iio s LEU 170 Cb -0.16 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 3iio s LEU 170 CO 0.10 -0.54 0.12 -0.83 -1.32 0.00 0.00 176.35 173.88 3iio s GLY 171 N 2.16 1.83 -0.43 7.98 0.00 -0.41 -2.22 107.32 116.23 3iio s GLY 171 Ca 0.03 -1.22 -0.25 0.00 0.00 0.00 0.00 44.72 43.29 3iio s GLY 171 CO 0.03 0.62 0.88 -0.45 0.00 0.00 0.00 173.10 174.18 3iio s SER 172 N 1.64 6.52 0.46 1.64 0.15 -1.08 -0.61 113.70 122.42 3iio s SER 172 Ca 0.06 0.18 0.15 0.00 0.70 0.00 0.00 55.95 57.04 3iio s SER 172 Cb -0.16 -2.43 1.06 0.00 -1.71 0.00 0.00 66.02 62.77 3iio s SER 172 CO 0.06 -0.96 2.01 0.40 1.20 0.00 0.00 173.24 175.96 3iio h ILE 173 N 5.98 1.09 0.00 6.45 2.04 -1.31 -1.23 117.51 130.53 3iio h ILE 173 Ca -0.24 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3iio h ILE 173 Cb 1.08 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 3iio h ILE 173 CO 0.99 0.16 0.00 0.47 0.00 0.00 0.00 178.15 179.77 3iio n ASP 174 N -4.31 0.00 0.00 1.72 8.00 -1.26 -2.00 116.55 118.71 3iio n ASP 174 Ca -0.02 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.31 3iio n ASP 174 Cb 0.23 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 -1.10 -0.49 -1.65 -1.24 5.12 -0.48 -5.00 116.66 111.81 3iio n ARG 175 Ca 0.07 -0.41 -0.53 0.00 -1.93 0.00 0.00 57.85 55.05 3iio n ARG 175 Cb 0.05 -0.91 -0.06 0.00 -1.16 0.00 0.00 32.46 30.39 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 -0.05 2.35 -2.19 0.55 7.94 -0.84 -0.72 117.00 124.04 3iio n LEU 176 Ca 0.00 1.08 -0.20 0.00 -1.11 0.00 0.00 56.01 55.77 3iio n LEU 176 Cb 0.03 -1.23 -0.03 0.00 0.53 0.00 0.00 43.42 42.72 3iio n LEU 176 CO 0.00 -0.59 -0.24 0.61 -1.11 0.00 0.00 177.39 176.05 3iio n GLY 177 N 3.47 0.15 3.85 -3.96 0.00 -1.26 -5.02 105.19 102.42 3iio n GLY 177 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.94 2.84 -0.07 2.61 -4.23 0.10 -5.03 115.64 108.91 3iio s THR 178 Ca 0.00 -1.40 0.23 0.00 -1.18 0.00 0.00 61.69 59.33 3iio s THR 178 Cb 0.00 -3.04 0.44 0.00 1.34 0.00 0.00 72.50 71.24 3iio s THR 178 CO 0.00 -0.05 1.17 0.29 -0.54 0.00 0.00 174.62 175.49 3iio n LYS 179 N -1.46 0.51 -0.06 3.99 4.76 -1.25 -4.10 118.16 120.56 3iio n LYS 179 Ca 0.02 -2.41 0.08 0.00 -2.87 0.00 0.00 58.31 53.13 3iio n LYS 179 Cb 0.62 -0.48 0.10 0.00 -1.84 0.00 0.00 35.03 33.43 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 0.10 2.60 0.00 4.39 3.41 -0.94 -3.75 113.62 119.42 3iio n SER 180 Ca 0.09 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 3iio n SER 180 Cb 1.04 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 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 0.96 4.04 3.71 5.00 0.00 0.10 -5.00 105.19 114.00 3iio n GLY 181 Ca 0.11 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.04 1.97 -1.25 1.61 2.02 -1.25 -4.34 117.35 114.08 3iio s TYR 182 Ca 0.00 1.65 -0.18 0.00 -0.37 0.00 0.00 57.07 58.16 3iio s TYR 182 Cb 0.00 -3.41 0.07 0.00 -0.40 0.00 0.00 41.96 38.23 3iio s TYR 182 CO 0.00 -2.61 1.67 0.34 -1.57 0.00 0.00 175.55 173.39 3iio s ASP 183 N -2.30 6.80 0.35 2.29 -1.08 -1.26 -4.82 116.67 116.65 3iio s ASP 183 Ca 0.71 -2.33 0.05 0.00 -0.52 0.00 0.00 52.55 50.47 3iio s ASP 183 Cb -0.27 -2.57 0.65 0.00 -1.46 0.00 0.00 42.92 39.28 3iio s ASP 183 CO 0.49 -1.19 1.89 0.71 0.52 0.00 0.00 175.17 177.60 3iio h THR 184 N 5.70 1.19 -0.16 1.71 1.35 -1.92 -2.09 112.91 118.67 3iio h THR 184 Ca 0.40 -0.74 0.04 0.00 -0.55 0.00 0.00 66.41 65.56 3iio h THR 184 Cb 0.89 0.96 -0.05 0.00 -1.73 0.00 0.00 68.15 68.23 3iio h THR 184 CO 1.44 0.25 -0.12 -0.08 -0.25 0.00 0.00 175.52 176.76 3iio h GLU 185 N 0.46 -0.12 -0.64 4.72 4.81 -1.98 -0.38 114.58 121.45 3iio h GLU 185 Ca 0.10 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3iio h GLU 185 Cb 0.31 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 3iio h GLU 185 CO 0.01 -0.08 0.42 1.98 -0.73 0.00 0.00 179.01 180.61 3iio h MET 186 N -0.12 0.81 0.44 1.92 4.05 -1.91 -0.53 114.93 119.59 3iio h MET 186 Ca 0.10 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 3iio h MET 186 Cb 0.27 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 3iio h MET 186 CO -0.24 0.54 -0.32 0.82 0.23 0.00 0.00 176.91 177.94 3iio h ILE 187 N 0.84 0.35 -0.73 1.77 2.04 -1.15 -2.11 117.51 118.51 3iio h ILE 187 Ca 0.25 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.19 3iio h ILE 187 Cb -0.05 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.32 3iio h ILE 187 CO -0.07 0.00 0.48 0.03 0.00 0.00 0.00 178.15 178.59 3iio h ARG 188 N -0.74 0.67 -0.39 2.37 3.08 -1.02 0.10 114.38 118.45 3iio h ARG 188 Ca -0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3iio h ARG 188 Cb 0.63 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3iio h ARG 188 CO 0.02 0.44 0.26 0.35 -1.07 0.00 0.00 179.97 179.96 3iio h PHE 189 N 0.69 0.49 0.02 3.04 3.57 -0.92 -3.20 116.94 120.63 3iio h PHE 189 Ca 0.33 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.63 3iio h PHE 189 Cb 0.37 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3iio h PHE 189 CO -0.00 0.31 -0.93 0.28 -2.23 0.00 0.00 178.31 175.74 3iio h VAL 190 N 0.53 1.56 -0.40 1.41 2.07 -0.64 -3.40 116.25 117.38 3iio h VAL 190 Ca 0.14 -2.87 0.08 0.00 0.82 0.00 0.00 66.70 64.87 3iio h VAL 190 Cb -0.06 2.61 -0.07 0.00 -1.52 0.00 0.00 31.29 32.25 3iio h VAL 190 CO -0.03 0.83 -0.09 -0.09 0.02 0.00 0.00 177.57 178.21 3iio h ARG 191 N 0.06 0.01 0.00 1.57 9.65 -1.00 -0.77 114.38 123.90 3iio h ARG 191 Ca -0.04 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3iio h ARG 191 Cb 1.60 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.18 3iio h ARG 191 CO 0.14 0.01 0.00 -0.35 2.80 0.00 0.00 179.97 182.56 3iio n PRO 192 N -5.29 0.19 0.12 0.20 -0.04 -1.26 -3.28 135.00 125.64 3iio n PRO 192 Ca 0.02 0.12 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 3iio n PRO 192 Cb 0.22 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.25 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 -7.61 1.53 3.38 -1.37 -3.47 115.31 107.78 3iio h LEU 193 Ca 0.00 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 3iio h LEU 193 Cb 0.23 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.73 3iio h LEU 193 CO 0.00 0.02 -0.50 0.28 0.09 0.00 0.00 178.44 178.33 3iio s THR 194 N -3.29 0.02 -2.44 0.22 -1.32 -1.20 -4.62 115.64 103.00 3iio s THR 194 Ca 0.02 -0.21 0.27 0.00 -1.21 0.00 0.00 61.69 60.57 3iio s THR 194 Cb 0.09 -0.31 0.43 0.00 -1.51 0.00 0.00 72.50 71.20 3iio s THR 194 CO 0.75 -0.11 1.62 0.35 -2.21 0.00 0.00 174.62 175.01 3iio n THR 195 N 2.52 0.00 -2.20 5.08 -2.24 -1.26 -4.87 114.28 111.31 3iio n THR 195 Ca -0.16 -0.27 -0.33 0.00 -2.27 0.00 0.00 64.05 61.02 3iio n THR 195 Cb 0.58 0.67 -0.00 0.00 -2.10 0.00 0.00 70.33 69.47 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 -2.10 3.60 0.31 3.22 1.43 -1.26 -5.00 118.68 118.89 3iio s LEU 196 Ca 0.34 1.84 -0.29 0.00 -1.03 0.00 0.00 54.13 54.98 3iio s LEU 196 Cb 0.20 -4.54 -0.12 0.00 0.03 0.00 0.00 46.19 41.77 3iio s LEU 196 CO 0.37 -1.04 1.49 -2.65 0.23 0.00 0.00 176.35 174.75 3iio n PRO 197 N -1.71 2.49 -4.34 1.29 -0.02 -1.26 -4.90 135.00 126.55 3iio n PRO 197 Ca 0.09 0.88 -0.34 0.00 -2.02 0.00 0.00 63.50 62.11 3iio n PRO 197 Cb 0.53 -2.60 -0.14 0.00 -0.02 0.00 0.00 33.50 31.26 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 -0.42 3.12 -0.28 4.25 1.01 -1.26 -2.21 121.20 125.40 3iio s ILE 198 Ca 0.61 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 60.56 3iio s ILE 198 Cb -0.53 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 3iio s ILE 198 CO 0.54 0.48 0.14 -0.63 0.00 0.00 0.00 174.94 175.47 3iio s ILE 199 N 0.90 4.74 0.00 2.92 1.09 0.05 0.43 121.20 131.33 3iio s ILE 199 Ca -0.02 -0.16 -0.30 0.00 -1.10 0.00 0.00 60.65 59.07 3iio s ILE 199 Cb -0.15 -3.31 -0.03 0.00 -1.06 0.00 0.00 42.46 37.91 3iio s ILE 199 CO -0.00 0.21 1.01 0.00 -0.10 0.00 0.00 174.94 176.06 3iio s ALA 200 N 1.66 3.20 -0.00 9.38 0.00 0.00 0.50 121.76 136.51 3iio s ALA 200 Ca 0.06 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 3iio s ALA 200 Cb -0.16 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 3iio s ALA 200 CO 0.07 -0.28 0.01 -1.58 0.00 0.00 0.00 175.76 173.98 3iio s HIS 201 N 1.08 0.02 0.00 0.00 5.04 -0.94 -1.65 115.29 118.83 3iio s HIS 201 Ca 0.53 -0.03 0.00 0.00 -1.54 0.00 0.00 55.06 54.02 3iio s HIS 201 Cb -0.22 -0.02 0.00 0.00 0.04 0.00 0.00 32.58 32.38 3iio s HIS 201 CO 0.28 -0.03 0.00 0.54 -2.34 0.00 0.00 174.74 173.18 3iio n ARG 202 N 2.87 0.00 0.00 2.88 1.74 -1.26 -2.65 116.66 120.24 3iio n ARG 202 Ca -0.14 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 3iio n ARG 202 Cb 0.59 -0.24 0.00 0.00 -1.02 0.00 0.00 32.46 31.79 3iio n ARG 202 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iio n GLY 203 N 0.20 1.41 3.75 -0.13 0.00 -1.26 -4.13 105.19 105.04 3iio n GLY 203 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.90 3.66 0.00 4.61 0.00 -1.26 0.02 121.76 127.89 3iio s ALA 204 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.37 3iio s ALA 204 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3iio s ALA 204 CO 0.00 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.34 3iio n GLY 205 N 2.12 0.00 3.30 0.00 0.00 -1.25 -4.58 105.19 104.79 3iio n GLY 205 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.06 1.28 0.22 1.61 -2.85 -1.26 -4.83 119.74 112.85 3iio s LYS 206 Ca 0.00 -1.52 -0.08 0.00 -1.00 0.00 0.00 55.97 53.37 3iio s LYS 206 Cb 0.00 0.32 0.34 0.00 -2.06 0.00 0.00 37.83 36.43 3iio s LYS 206 CO 0.00 -0.45 1.74 0.52 0.10 0.00 0.00 175.35 177.26 3iio h MET 207 N 2.53 0.42 -0.16 1.78 2.86 -1.98 -1.42 114.93 118.95 3iio h MET 207 Ca -0.33 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.33 3iio h MET 207 Cb 1.25 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 3iio h MET 207 CO 0.49 0.28 0.17 0.93 1.06 0.00 0.00 176.91 179.84 3iio h GLU 208 N 0.43 0.00 -0.45 1.72 3.07 -1.99 -2.32 114.58 115.05 3iio h GLU 208 Ca 0.35 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.14 3iio h GLU 208 Cb 0.46 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 3iio h GLU 208 CO -0.34 0.00 0.02 0.45 -1.40 0.00 0.00 179.01 177.74 3iio h HIS 209 N 0.00 0.77 -0.35 4.33 3.86 -1.68 -1.97 115.15 120.11 3iio h HIS 209 Ca 0.08 -0.09 -0.17 0.00 -1.16 0.00 0.00 60.37 59.03 3iio h HIS 209 Cb 0.43 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 3iio h HIS 209 CO 0.00 0.71 -0.44 0.74 0.86 0.00 0.00 177.93 179.80 3iio h PHE 210 N 0.69 1.11 -0.02 2.45 0.04 -1.53 -2.13 116.94 117.54 3iio h PHE 210 Ca 0.14 -0.36 0.03 0.00 2.80 0.00 0.00 57.97 60.58 3iio h PHE 210 Cb 0.40 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 3iio h PHE 210 CO 0.02 1.19 -0.18 1.25 -0.60 0.00 0.00 178.31 179.98 3iio h LEU 211 N 0.72 -0.54 -0.64 1.54 5.85 -1.51 -0.83 115.31 119.90 3iio h LEU 211 Ca 0.04 0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.96 3iio h LEU 211 Cb 1.04 0.23 -0.08 0.00 0.37 0.00 0.00 40.66 42.22 3iio h LEU 211 CO 0.10 -0.25 0.20 -0.33 -0.34 0.00 0.00 178.44 177.83 3iio h GLU 212 N -0.29 0.34 -0.43 1.25 5.08 -1.31 -0.08 114.58 119.14 3iio h GLU 212 Ca 0.06 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 3iio h GLU 212 Cb 0.37 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3iio h GLU 212 CO -0.19 0.22 -0.18 0.00 -1.00 0.00 0.00 179.01 177.86 3iio h ALA 213 N 1.48 0.86 -0.31 3.43 0.00 -1.16 -1.88 119.26 121.68 3iio h ALA 213 Ca 0.34 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3iio h ALA 213 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3iio h ALA 213 CO -0.37 0.64 -0.06 0.74 0.00 0.00 0.00 179.25 180.20 3iio h PHE 214 N 0.74 0.65 -0.96 0.00 0.04 -0.76 -2.15 116.94 114.50 3iio h PHE 214 Ca 0.11 -0.13 0.19 0.00 2.80 0.00 0.00 57.97 60.93 3iio h PHE 214 Cb 0.70 -0.16 -0.09 0.00 2.20 0.00 0.00 35.95 38.61 3iio h PHE 214 CO 0.04 0.76 0.61 -0.07 -0.60 0.00 0.00 178.31 179.05 3iio h LEU 215 N 0.36 0.65 -0.76 1.54 3.38 -0.95 -1.24 115.31 118.28 3iio h LEU 215 Ca 0.08 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3iio h LEU 215 Cb 0.54 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3iio h LEU 215 CO 0.03 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.81 3iio n ALA 216 N -2.41 1.51 0.00 1.53 0.00 -0.71 -4.87 120.51 115.56 3iio n ALA 216 Ca 0.21 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3iio n ALA 216 Cb 0.60 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3iio n ALA 216 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iio n GLY 217 N -0.32 1.20 3.77 0.00 0.00 -0.47 -3.60 105.19 105.78 3iio n GLY 217 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 3.28 -0.18 4.61 0.00 -0.82 -4.78 121.76 121.86 3iio s ALA 218 Ca 0.00 0.81 0.22 0.00 0.00 0.00 0.00 51.96 52.99 3iio s ALA 218 Cb 0.00 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 3iio s ALA 218 CO 0.00 -0.17 0.90 -0.25 0.00 0.00 0.00 175.76 176.24 3iio n ASP 219 N 0.72 0.69 -3.75 0.00 8.00 0.17 -4.59 116.55 117.79 3iio n ASP 219 Ca 0.01 0.27 -0.10 0.00 0.71 0.00 0.00 54.79 55.68 3iio n ASP 219 Cb 0.47 0.70 -0.06 0.00 -0.02 0.00 0.00 41.12 42.21 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 -3.33 -0.58 -0.03 2.24 0.00 -0.54 -2.12 121.76 117.39 3iio s ALA 220 Ca -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.66 3iio s ALA 220 Cb 0.10 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.78 3iio s ALA 220 CO 0.81 -0.55 -0.02 0.00 0.00 0.00 0.00 175.76 176.01 3iio s ALA 221 N -3.61 0.38 -0.02 0.00 0.00 -0.64 -0.82 121.76 117.05 3iio s ALA 221 Ca 0.02 0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.11 3iio s ALA 221 Cb 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3iio s ALA 221 CO -0.10 -0.02 -0.25 0.21 0.00 0.00 0.00 175.76 175.60 3iio s LYS 222 N 0.72 2.11 0.26 0.00 2.20 -0.66 -0.88 119.74 123.49 3iio s LYS 222 Ca -0.08 -0.90 -0.07 0.00 -0.36 0.00 0.00 55.97 54.57 3iio s LYS 222 Cb -0.11 -2.00 -0.01 0.00 -1.51 0.00 0.00 37.83 34.20 3iio s LYS 222 CO -0.01 0.52 0.39 0.00 -0.36 0.00 0.00 175.35 175.89 3iio s ALA 223 N -0.53 0.44 0.00 3.13 0.00 -0.82 -4.53 121.76 119.46 3iio s ALA 223 Ca 0.08 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.75 3iio s ALA 223 Cb -0.10 1.18 0.00 0.00 0.00 0.00 0.00 23.12 24.20 3iio s ALA 223 CO -0.00 -0.77 0.00 -0.40 0.00 0.00 0.00 175.76 174.59 3iio n ASP 224 N -0.67 0.00 -0.19 0.00 3.85 -1.26 -1.17 116.55 117.12 3iio n ASP 224 Ca 0.00 0.00 0.14 0.00 -0.71 0.00 0.00 54.79 54.22 3iio n ASP 224 Cb 0.63 0.00 0.47 0.00 -1.35 0.00 0.00 41.12 40.86 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 0.47 -0.86 -1.12 4.64 -1.97 -0.03 113.55 114.67 3iio h SER 225 Ca 0.00 0.03 0.19 0.00 -0.47 0.00 0.00 61.79 61.53 3iio h SER 225 Cb 0.00 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 61.96 3iio h SER 225 CO 0.00 0.24 0.57 0.58 -0.87 0.00 0.00 176.83 177.36 3iio h VAL 226 N 0.50 0.71 0.09 0.95 2.07 -1.92 0.15 116.25 118.79 3iio h VAL 226 Ca 0.38 -0.14 -0.32 0.00 0.82 0.00 0.00 66.70 67.45 3iio h VAL 226 Cb 0.78 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3iio h VAL 226 CO -0.14 0.07 -1.72 -0.26 0.02 0.00 0.00 177.57 175.54 3iio h PHE 227 N 0.40 0.35 -0.63 1.57 0.04 -1.27 -0.97 116.94 116.43 3iio h PHE 227 Ca 0.44 -0.25 -0.04 0.00 2.80 0.00 0.00 57.97 60.92 3iio h PHE 227 Cb 1.09 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.19 3iio h PHE 227 CO -0.00 1.68 0.25 0.45 -0.60 0.00 0.00 178.31 180.09 3iio h HIS 228 N -0.28 0.93 -0.66 -0.55 3.86 -1.09 -2.11 115.15 115.25 3iio h HIS 228 Ca -0.39 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 3iio h HIS 228 Cb 1.80 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.98 3iio h HIS 228 CO 0.09 0.72 0.00 1.19 0.86 0.00 0.00 177.93 180.79 3iio n PHE 229 N -4.31 0.88 -2.70 2.45 3.01 0.50 -0.93 117.46 116.36 3iio n PHE 229 Ca 0.05 -0.46 -0.19 0.00 1.01 0.00 0.00 57.45 57.86 3iio n PHE 229 Cb 0.17 -0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.65 3iio n PHE 229 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3iio n ARG 230 N 1.57 -3.18 0.03 -1.08 1.74 -0.80 -4.88 116.66 110.07 3iio n ARG 230 Ca 0.23 0.82 -0.05 0.00 -0.77 0.00 0.00 57.85 58.08 3iio n ARG 230 Cb 0.61 -5.38 0.16 0.00 -1.02 0.00 0.00 32.46 26.83 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 -0.75 0.44 -4.71 5.56 5.08 -1.49 -3.41 114.58 115.30 3iio h GLU 231 Ca -0.45 -0.21 -0.59 0.00 -1.00 0.00 0.00 59.36 57.11 3iio h GLU 231 Cb 1.32 -0.01 -0.35 0.00 0.50 0.00 0.00 28.75 30.21 3iio h GLU 231 CO 0.50 0.75 -0.83 0.42 -1.00 0.00 0.00 179.01 178.84 3iio s ILE 232 N -4.26 1.54 0.02 3.13 1.01 -0.55 -5.00 121.20 117.09 3iio s ILE 232 Ca -0.06 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 3iio s ILE 232 Cb 0.13 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 3iio s ILE 232 CO 0.80 0.45 1.21 -0.62 0.00 0.00 0.00 174.94 176.78 3iio s ASP 233 N 1.24 7.06 0.22 3.58 2.15 -1.26 -4.47 116.67 125.19 3iio s ASP 233 Ca -0.01 1.95 -0.08 0.00 0.43 0.00 0.00 52.55 54.84 3iio s ASP 233 Cb -0.14 -2.57 0.25 0.00 -0.30 0.00 0.00 42.92 40.16 3iio s ASP 233 CO -0.06 -0.52 1.85 0.58 -0.17 0.00 0.00 175.17 176.86 3iio h VAL 234 N 4.70 1.08 -0.06 1.11 2.07 -1.94 0.71 116.25 123.93 3iio h VAL 234 Ca -0.39 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 66.67 3iio h VAL 234 Cb 1.20 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3iio h VAL 234 CO 0.84 0.17 -0.50 -0.09 0.02 0.00 0.00 177.57 178.00 3iio h ARG 235 N 0.93 0.45 -0.51 1.57 9.65 -1.94 -2.04 114.38 122.50 3iio h ARG 235 Ca 0.32 -0.40 0.10 0.00 -1.10 0.00 0.00 59.98 58.90 3iio h ARG 235 Cb 0.07 0.09 -0.10 0.00 -1.39 0.00 0.00 29.97 28.64 3iio h ARG 235 CO -0.13 1.05 -0.14 0.93 2.80 0.00 0.00 179.97 184.48 3iio h GLU 236 N -0.01 -0.01 -0.17 0.20 5.08 -1.93 -1.05 114.58 116.68 3iio h GLU 236 Ca -0.05 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3iio h GLU 236 Cb 1.17 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.36 3iio h GLU 236 CO 0.10 -0.01 -0.31 1.25 -1.00 0.00 0.00 179.01 179.05 3iio h LEU 237 N -0.01 -0.96 -0.93 1.33 5.85 -0.80 0.11 115.31 119.90 3iio h LEU 237 Ca 0.24 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 59.07 3iio h LEU 237 Cb 0.38 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 3iio h LEU 237 CO -0.53 -0.34 0.30 0.11 -0.34 0.00 0.00 178.44 177.64 3iio h LYS 238 N -0.36 1.07 -0.54 1.25 1.57 -1.13 -0.03 116.57 118.41 3iio h LYS 238 Ca 0.11 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 3iio h LYS 238 Cb 0.53 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3iio h LYS 238 CO -0.37 0.86 0.15 0.93 -0.57 0.00 0.00 179.45 180.45 3iio h GLU 239 N 1.05 0.86 -0.00 3.15 5.08 -0.95 -0.45 114.58 123.33 3iio h GLU 239 Ca 0.25 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3iio h GLU 239 Cb 0.18 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3iio h GLU 239 CO -0.02 0.80 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.73 3iio h TYR 240 N 0.76 -0.34 -0.53 4.33 3.20 -0.16 -1.22 116.97 123.02 3iio h TYR 240 Ca 0.17 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.97 3iio h TYR 240 Cb 0.32 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 3iio h TYR 240 CO 0.02 -0.20 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.26 3iio h LEU 241 N -0.22 0.93 -0.80 2.82 3.38 -0.91 -2.80 115.31 117.69 3iio h LEU 241 Ca 0.05 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.71 3iio h LEU 241 Cb 0.28 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3iio h LEU 241 CO -0.13 1.01 0.53 0.50 0.09 0.00 0.00 178.44 180.45 3iio h LYS 242 N 0.82 1.06 -0.89 1.13 1.63 -1.02 0.60 116.57 119.90 3iio h LYS 242 Ca 0.15 -0.06 0.14 0.00 -0.85 0.00 0.00 60.65 60.03 3iio h LYS 242 Cb 0.54 -0.24 -0.07 0.00 -0.60 0.00 0.00 32.23 31.86 3iio h LYS 242 CO 0.03 0.70 0.57 -0.22 -3.45 0.00 0.00 179.45 177.08 3iio h LYS 243 N 1.09 0.67 -0.80 1.90 3.64 -1.01 -2.08 116.57 119.98 3iio h LYS 243 Ca 0.30 -0.04 -0.35 0.00 -1.27 0.00 0.00 60.65 59.28 3iio h LYS 243 Cb -0.12 -0.15 -0.21 0.00 -0.41 0.00 0.00 32.23 31.33 3iio h LYS 243 CO -0.06 0.44 0.40 0.72 -2.27 0.00 0.00 179.45 178.68 3iio n HIS 244 N -4.56 2.53 -1.01 1.91 8.25 -0.93 -4.92 115.22 116.48 3iio n HIS 244 Ca 0.17 -1.56 -0.00 0.00 -0.26 0.00 0.00 57.72 56.07 3iio n HIS 244 Cb 0.47 -0.78 -0.00 0.00 1.12 0.00 0.00 29.99 30.80 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 -0.78 0.47 3.73 -1.41 0.00 -0.78 -5.04 105.19 101.39 3iio n GLY 245 Ca 0.49 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.97 4.70 -0.92 1.61 1.01 0.16 -5.00 120.40 119.99 3iio s VAL 246 Ca 0.00 1.83 -0.22 0.00 0.00 0.00 0.00 61.98 63.60 3iio s VAL 246 Cb 0.00 -4.21 0.08 0.00 0.00 0.00 0.00 36.38 32.25 3iio s VAL 246 CO 0.00 0.31 1.26 0.21 0.00 0.00 0.00 175.10 176.88 3iio s ASN 247 N 0.21 6.49 0.06 3.32 2.47 -1.26 -3.87 114.94 122.36 3iio s ASN 247 Ca 0.43 -1.55 0.07 0.00 0.42 0.00 0.00 52.86 52.23 3iio s ASN 247 Cb -0.21 -2.49 -0.04 0.00 -1.45 0.00 0.00 41.25 37.06 3iio s ASN 247 CO 0.26 -1.36 -0.14 0.68 -3.72 0.00 0.00 177.10 172.82 3iio s VAL 248 N 4.06 3.10 -0.53 -5.21 -7.23 -1.26 0.15 120.40 113.48 3iio s VAL 248 Ca 0.37 -1.19 -0.28 0.00 -1.81 0.00 0.00 61.98 59.07 3iio s VAL 248 Cb -0.04 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.54 3iio s VAL 248 CO -0.06 0.25 1.33 -0.60 -0.31 0.00 0.00 175.10 175.71 3iio s ARG 249 N -1.76 3.45 0.00 4.82 3.00 -1.26 -4.96 118.95 122.24 3iio s ARG 249 Ca 0.17 0.50 0.20 0.00 -1.00 0.00 0.00 55.73 55.60 3iio s ARG 249 Cb -0.11 -4.05 0.16 0.00 0.00 0.00 0.00 34.95 30.94 3iio s ARG 249 CO 0.09 -1.75 1.12 -0.11 0.00 0.00 0.00 175.30 174.65