#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iio s LEU 2 N 0.00 4.11 0.16 0.00 1.43 -1.26 -5.03 118.68 118.09 3iio s LEU 2 Ca 0.00 1.67 -0.30 0.00 -1.03 0.00 0.00 54.13 54.47 3iio s LEU 2 Cb 0.00 -4.25 -0.08 0.00 0.03 0.00 0.00 46.19 41.89 3iio s LEU 2 CO 0.00 -0.22 1.24 0.00 0.23 0.00 0.00 176.35 177.60 3iio s ALA 3 N -1.93 3.46 -0.15 4.21 0.00 -1.26 -4.72 121.76 121.38 3iio s ALA 3 Ca 0.56 0.98 -0.11 0.00 0.00 0.00 0.00 51.96 53.39 3iio s ALA 3 Cb -0.13 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 3iio s ALA 3 CO 0.18 -0.44 0.20 0.15 0.00 0.00 0.00 175.76 175.85 3iio s LYS 4 N 0.19 3.95 -0.04 0.00 -0.14 0.15 -4.97 119.74 118.89 3iio s LYS 4 Ca 0.56 -0.04 -0.00 0.00 -1.36 0.00 0.00 55.97 55.12 3iio s LYS 4 Cb -0.33 -3.33 -0.03 0.00 -1.68 0.00 0.00 37.83 32.45 3iio s LYS 4 CO 0.35 0.47 0.01 0.50 -0.76 0.00 0.00 175.35 175.91 3iio s ARG 5 N -0.18 2.90 -0.29 1.68 3.52 -1.02 -4.37 118.95 121.19 3iio s ARG 5 Ca 0.14 -0.51 -0.04 0.00 -0.13 0.00 0.00 55.73 55.19 3iio s ARG 5 Cb -0.12 -2.74 0.03 0.00 -1.56 0.00 0.00 34.95 30.55 3iio s ARG 5 CO 0.03 0.66 0.03 0.42 -0.81 0.00 0.00 175.30 175.63 3iio s ILE 6 N -1.01 3.44 -0.14 4.11 -1.09 -1.26 -1.83 121.20 123.41 3iio s ILE 6 Ca 0.17 -1.01 -0.06 0.00 -2.23 0.00 0.00 60.65 57.52 3iio s ILE 6 Cb -0.11 -2.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.88 3iio s ILE 6 CO 0.07 0.02 0.07 -1.81 -1.23 0.00 0.00 174.94 172.06 3iio s ASP 7 N 1.38 5.74 -0.21 3.58 1.01 -0.60 -1.00 116.67 126.58 3iio s ASP 7 Ca -0.01 0.21 -0.12 0.00 0.71 0.00 0.00 52.55 53.34 3iio s ASP 7 Cb -0.18 -1.87 -0.05 0.00 1.01 0.00 0.00 42.92 41.84 3iio s ASP 7 CO -0.00 0.29 0.22 0.00 0.21 0.00 0.00 175.17 175.89 3iio s ALA 8 N -0.33 3.62 -0.18 5.23 0.00 -0.90 -2.24 121.76 126.95 3iio s ALA 8 Ca 0.09 -0.68 -0.13 0.00 0.00 0.00 0.00 51.96 51.23 3iio s ALA 8 Cb -0.12 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 3iio s ALA 8 CO 0.02 -0.06 0.28 0.00 0.00 0.00 0.00 175.76 175.99 3iio s ALA 9 N 0.80 3.60 -0.25 0.00 0.00 0.31 -0.56 121.76 125.66 3iio s ALA 9 Ca 0.11 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 3iio s ALA 9 Cb -0.13 -2.40 0.03 0.00 0.00 0.00 0.00 23.12 20.62 3iio s ALA 9 CO 0.03 0.01 -0.08 -0.51 0.00 0.00 0.00 175.76 175.22 3iio s LEU 10 N 0.65 3.19 0.04 0.00 1.02 0.23 -4.47 118.68 119.34 3iio s LEU 10 Ca 0.15 -0.98 -0.30 0.00 0.02 0.00 0.00 54.13 53.02 3iio s LEU 10 Cb -0.13 -1.63 -0.04 0.00 0.02 0.00 0.00 46.19 44.41 3iio s LEU 10 CO 0.04 -0.14 0.97 -0.63 0.02 0.00 0.00 176.35 176.61 3iio s ILE 11 N 1.28 4.74 0.02 -0.59 1.09 -1.26 -0.55 121.20 125.93 3iio s ILE 11 Ca -0.01 2.06 0.02 0.00 -1.10 0.00 0.00 60.65 61.61 3iio s ILE 11 Cb -0.17 -4.32 -0.01 0.00 -1.06 0.00 0.00 42.46 36.90 3iio s ILE 11 CO -0.05 0.22 -0.06 0.54 -0.10 0.00 0.00 174.94 175.48 3iio s VAL 12 N 0.65 0.46 -0.30 2.92 0.11 0.28 -1.09 120.40 123.43 3iio s VAL 12 Ca 0.50 -0.63 -0.05 0.00 -2.93 0.00 0.00 61.98 58.87 3iio s VAL 12 Cb -0.22 -0.47 0.18 0.00 -1.53 0.00 0.00 36.38 34.35 3iio s VAL 12 CO 0.29 -0.13 0.69 -0.75 -3.33 0.00 0.00 175.10 171.87 3iio s LYS 13 N -0.83 0.50 -1.05 1.54 2.20 0.02 0.57 119.74 122.70 3iio s LYS 13 Ca -0.04 0.95 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 3iio s LYS 13 Cb -0.06 0.54 0.00 0.00 -1.51 0.00 0.00 37.83 36.80 3iio s LYS 13 CO 0.00 -0.48 0.00 -0.25 -0.36 0.00 0.00 175.35 174.26 3iio n ASP 14 N 5.42 -3.88 0.00 1.43 8.00 -1.26 -2.58 116.55 123.68 3iio n ASP 14 Ca -0.04 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.46 3iio n ASP 14 Cb 0.51 -3.08 0.00 0.00 -0.02 0.00 0.00 41.12 38.53 3iio n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iio n GLY 15 N -1.02 0.55 3.52 0.44 0.00 -1.26 -5.03 105.19 102.39 3iio n GLY 15 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.10 2.72 -0.33 1.61 1.81 -1.06 -4.35 118.95 119.24 3iio s ARG 16 Ca 0.00 -0.62 -0.28 0.00 -1.72 0.00 0.00 55.73 53.11 3iio s ARG 16 Cb 0.00 -2.51 -0.03 0.00 -0.45 0.00 0.00 34.95 31.96 3iio s ARG 16 CO 0.00 0.60 1.99 0.08 -0.68 0.00 0.00 175.30 177.29 3iio s VAL 17 N -0.65 3.28 -0.24 3.52 1.01 -0.06 -0.80 120.40 126.45 3iio s VAL 17 Ca 0.10 0.27 -0.28 0.00 0.00 0.00 0.00 61.98 62.06 3iio s VAL 17 Cb -0.11 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 3iio s VAL 17 CO 0.01 -0.29 2.19 -0.69 0.00 0.00 0.00 175.10 176.32 3iio s VAL 18 N 8.00 3.05 0.00 2.92 1.01 -0.25 -1.10 120.40 134.03 3iio s VAL 18 Ca 0.87 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3iio s VAL 18 Cb -0.24 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3iio s VAL 18 CO 0.32 -0.04 0.00 0.29 0.00 0.00 0.00 175.10 175.67 3iio n LYS 19 N 8.75 0.00 0.00 2.72 5.02 -1.26 -4.85 118.16 128.54 3iio n LYS 19 Ca 0.29 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 3iio n LYS 19 Cb 0.46 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 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 -2.71 1.47 3.48 0.72 0.00 -0.26 -4.91 105.19 102.99 3iio n GLY 20 Ca 0.00 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.59 -0.02 1.61 1.04 -1.25 -4.87 113.70 105.62 3iio s SER 21 Ca 0.00 0.70 0.01 0.00 0.48 0.00 0.00 55.95 57.14 3iio s SER 21 Cb 0.00 0.60 0.06 0.00 0.10 0.00 0.00 66.02 66.78 3iio s SER 21 CO 0.00 -0.54 0.62 0.59 0.98 0.00 0.00 173.24 174.89 3iio n ASN 22 N 1.17 1.44 -4.56 7.02 4.13 -0.11 -4.79 115.26 119.57 3iio n ASN 22 Ca -0.19 -2.07 -0.43 0.00 1.68 0.00 0.00 54.58 53.57 3iio n ASN 22 Cb 0.57 -0.51 -0.04 0.00 -1.54 0.00 0.00 39.78 38.26 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 -1.07 2.86 -0.03 3.10 0.40 -1.26 -4.91 117.98 117.07 3iio s PHE 23 Ca 0.04 0.35 0.12 0.00 -0.60 0.00 0.00 56.93 56.84 3iio s PHE 23 Cb 0.03 -4.08 -0.18 0.00 0.51 0.00 0.00 43.02 39.29 3iio s PHE 23 CO 0.01 -1.20 0.90 0.93 0.70 0.00 0.00 175.22 176.56 3iio h GLU 24 N 9.18 0.00 0.00 0.44 4.39 -2.00 -3.29 114.58 123.30 3iio h GLU 24 Ca -0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 3iio h GLU 24 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3iio h GLU 24 CO 1.06 0.57 0.00 0.27 -1.16 0.00 0.00 179.01 179.75 3iio n ASN 25 N -3.10 0.00 -4.59 1.42 6.94 -1.26 -4.75 115.26 109.91 3iio n ASN 25 Ca -0.10 -0.04 -0.35 0.00 -0.02 0.00 0.00 54.58 54.07 3iio n ASN 25 Cb 0.96 -0.13 -0.10 0.00 -2.36 0.00 0.00 39.78 38.14 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 -2.26 3.78 0.09 -4.53 1.43 -1.24 -5.01 118.68 110.95 3iio s LEU 26 Ca 0.09 0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 53.03 3iio s LEU 26 Cb 0.05 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3iio s LEU 26 CO 0.09 0.10 1.11 -1.14 0.23 0.00 0.00 176.35 176.75 3iio n ARG 27 N 4.03 -0.25 -3.99 1.70 0.00 -1.26 -3.90 116.66 112.99 3iio n ARG 27 Ca -0.16 1.09 -0.31 0.00 -0.00 0.00 0.00 57.85 58.47 3iio n ARG 27 Cb 0.52 -1.61 -0.15 0.00 0.00 0.00 0.00 32.46 31.21 3iio n ARG 27 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3iio s ASP 28 N -4.69 3.97 0.32 6.15 -1.08 -1.26 -5.01 116.67 115.08 3iio s ASP 28 Ca -0.07 -1.21 0.00 0.00 -0.52 0.00 0.00 52.55 50.76 3iio s ASP 28 Cb 0.06 -1.30 0.54 0.00 -1.46 0.00 0.00 42.92 40.77 3iio s ASP 28 CO 0.35 -0.21 1.98 0.28 0.52 0.00 0.00 175.17 178.09 3iio h SER 29 N 7.90 0.84 -0.40 -0.34 0.02 -1.84 -2.62 113.55 117.12 3iio h SER 29 Ca -0.20 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3iio h SER 29 Cb 1.07 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3iio h SER 29 CO 0.43 0.60 0.00 0.61 -1.14 0.00 0.00 176.83 177.34 3iio n GLY 30 N -1.42 1.34 3.56 -3.77 0.00 -1.26 -3.80 105.19 99.84 3iio n GLY 30 Ca 0.09 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.33 6.45 0.30 1.61 2.15 -0.99 -0.89 116.67 123.98 3iio s ASP 31 Ca 0.37 0.01 0.06 0.00 0.43 0.00 0.00 52.55 53.42 3iio s ASP 31 Cb 0.20 -2.49 0.75 0.00 -0.30 0.00 0.00 42.92 41.08 3iio s ASP 31 CO 0.28 -1.25 1.77 -0.65 -0.17 0.00 0.00 175.17 175.15 3iio h PRO 32 N 9.30 0.71 -0.21 4.34 0.11 -1.88 -1.72 132.00 142.65 3iio h PRO 32 Ca -0.25 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.71 3iio h PRO 32 Cb 1.07 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3iio h PRO 32 CO 1.10 0.47 -0.30 0.28 -0.21 0.00 0.00 178.00 179.35 3iio h VAL 33 N 0.73 1.33 -0.29 3.15 2.07 -1.92 -0.66 116.25 120.65 3iio h VAL 33 Ca 0.58 -1.50 -0.17 0.00 0.82 0.00 0.00 66.70 66.43 3iio h VAL 33 Cb 0.93 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 3iio h VAL 33 CO -0.40 0.46 -0.49 -0.08 0.02 0.00 0.00 177.57 177.09 3iio h GLU 34 N 0.26 0.85 -0.30 1.57 4.81 -1.81 -0.85 114.58 119.11 3iio h GLU 34 Ca 0.02 -0.52 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 3iio h GLU 34 Cb 0.88 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 3iio h GLU 34 CO 0.07 1.16 0.15 1.25 -0.73 0.00 0.00 179.01 180.91 3iio h LEU 35 N 0.63 0.39 -0.38 1.64 5.85 -1.37 0.39 115.31 122.47 3iio h LEU 35 Ca 0.02 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3iio h LEU 35 Cb 1.09 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3iio h LEU 35 CO 0.11 0.40 0.17 1.23 -0.34 0.00 0.00 178.44 180.01 3iio h GLY 36 N 0.36 0.59 1.03 3.75 0.00 -1.08 -0.62 103.07 107.10 3iio h GLY 36 Ca 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3iio h GLY 36 CO -0.01 0.29 0.44 1.70 0.00 0.00 0.00 176.54 178.95 3iio h LYS 37 N 0.46 1.20 -0.14 4.80 3.64 -1.06 -0.74 116.57 124.74 3iio h LYS 37 Ca 0.13 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3iio h LYS 37 Cb 0.15 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 3iio h LYS 37 CO -0.01 0.90 -0.07 0.35 -2.27 0.00 0.00 179.45 178.34 3iio h PHE 38 N 1.19 -0.16 -0.95 1.91 3.57 0.14 -2.88 116.94 119.76 3iio h PHE 38 Ca 0.30 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.88 3iio h PHE 38 Cb 0.07 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.83 3iio h PHE 38 CO 0.01 -0.11 0.60 1.88 -2.23 0.00 0.00 178.31 178.46 3iio h TYR 39 N -0.06 1.11 0.00 0.41 0.05 -0.83 -2.39 116.97 115.27 3iio h TYR 39 Ca 0.08 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3iio h TYR 39 Cb 0.17 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 37.55 3iio h TYR 39 CO -0.20 0.55 0.00 0.66 -1.05 0.00 0.00 178.16 178.11 3iio h SER 40 N 1.07 0.00 0.35 3.88 4.64 -0.93 -1.68 113.55 120.88 3iio h SER 40 Ca 0.42 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.51 3iio h SER 40 Cb 0.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 3iio h SER 40 CO -0.19 0.00 -1.85 -0.62 -0.87 0.00 0.00 176.83 173.30 3iio n GLU 41 N -2.89 0.65 -0.56 4.77 1.02 -0.93 -4.33 120.64 118.37 3iio n GLU 41 Ca -0.01 0.11 0.10 0.00 -0.02 0.00 0.00 57.16 57.34 3iio n GLU 41 Cb 0.18 -1.68 0.34 0.00 -0.02 0.00 0.00 31.44 30.26 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 -2.79 1.69 0.00 -3.67 -5.35 -1.01 -4.94 119.36 103.28 3iio n ILE 42 Ca -0.18 -1.18 0.00 0.00 -0.27 0.00 0.00 62.75 61.12 3iio n ILE 42 Cb 0.95 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 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 1.14 0.78 3.74 3.28 0.00 -1.15 -4.15 105.19 108.84 3iio n GLY 43 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 3.28 -0.08 -0.61 -1.09 -0.66 -4.90 121.20 115.14 3iio s ILE 44 Ca 0.00 1.09 -0.14 0.00 -2.23 0.00 0.00 60.65 59.36 3iio s ILE 44 Cb 0.00 -3.69 -0.28 0.00 -1.58 0.00 0.00 42.46 36.90 3iio s ILE 44 CO 0.00 0.18 0.60 0.44 -1.23 0.00 0.00 174.94 174.93 3iio h ASP 45 N 5.10 0.46 -5.03 3.58 3.32 -1.39 -3.41 116.42 119.05 3iio h ASP 45 Ca -0.45 -0.89 -0.15 0.00 0.02 0.00 0.00 57.03 55.57 3iio h ASP 45 Cb 1.22 -0.15 -0.20 0.00 0.22 0.00 0.00 39.33 40.42 3iio h ASP 45 CO 0.75 1.67 -0.57 -1.61 -1.72 0.00 0.00 179.24 177.76 3iio s GLU 46 N -2.51 0.47 -0.01 3.56 2.02 -1.23 -4.34 118.70 116.66 3iio s GLU 46 Ca -0.18 -0.61 0.06 0.00 0.02 0.00 0.00 54.97 54.25 3iio s GLU 46 Cb 0.05 0.18 -0.03 0.00 0.10 0.00 0.00 34.13 34.43 3iio s GLU 46 CO 0.80 -0.11 -0.18 -0.51 0.02 0.00 0.00 175.26 175.28 3iio s LEU 47 N -1.71 2.53 -0.10 1.80 1.43 -0.73 -2.12 118.68 119.77 3iio s LEU 47 Ca -0.11 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 3iio s LEU 47 Cb -0.06 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 3iio s LEU 47 CO -0.02 0.31 -0.19 -0.44 0.23 0.00 0.00 176.35 176.25 3iio s SER 48 N -0.93 3.56 -0.26 2.29 0.01 0.27 -0.37 113.70 118.27 3iio s SER 48 Ca 0.12 -0.42 -0.00 0.00 1.31 0.00 0.00 55.95 56.96 3iio s SER 48 Cb -0.10 -1.35 0.04 0.00 0.21 0.00 0.00 66.02 64.82 3iio s SER 48 CO 0.02 0.19 -0.06 -0.36 0.41 0.00 0.00 173.24 173.44 3iio s PHE 49 N 0.16 3.16 -0.29 2.43 0.08 0.62 0.74 117.98 124.89 3iio s PHE 49 Ca -0.10 -1.86 -0.09 0.00 0.12 0.00 0.00 56.93 54.99 3iio s PHE 49 Cb -0.16 -2.03 -0.02 0.00 -0.57 0.00 0.00 43.02 40.24 3iio s PHE 49 CO 0.06 -0.80 0.14 -0.46 -0.10 0.00 0.00 175.22 174.06 3iio s TRP 50 N 1.24 3.16 -0.14 0.36 -0.11 0.29 -1.57 118.94 122.18 3iio s TRP 50 Ca -0.04 -0.37 -0.07 0.00 1.22 0.00 0.00 56.10 56.84 3iio s TRP 50 Cb -0.18 -2.33 -0.04 0.00 -1.50 0.00 0.00 33.47 29.41 3iio s TRP 50 CO -0.04 -0.37 0.10 0.34 -4.62 0.00 0.00 176.95 172.37 3iio s ASP 51 N 1.65 6.03 -0.03 5.86 2.15 -0.76 0.99 116.67 132.56 3iio s ASP 51 Ca 0.06 0.31 0.04 0.00 0.43 0.00 0.00 52.55 53.39 3iio s ASP 51 Cb -0.16 -1.95 0.06 0.00 -0.30 0.00 0.00 42.92 40.57 3iio s ASP 51 CO 0.07 0.33 0.89 2.30 -0.17 0.00 0.00 175.17 178.59 3iio n ILE 52 N 2.51 0.72 -1.60 4.11 -5.35 0.19 -4.48 119.36 115.47 3iio n ILE 52 Ca -0.19 -0.81 -0.63 0.00 -0.27 0.00 0.00 62.75 60.86 3iio n ILE 52 Cb 0.54 0.48 -0.10 0.00 -1.74 0.00 0.00 39.64 38.82 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 -0.47 0.06 -3.13 7.28 -1.04 -1.25 -4.86 114.28 110.87 3iio n THR 53 Ca 0.03 -0.02 -0.45 0.00 -2.04 0.00 0.00 64.05 61.57 3iio n THR 53 Cb 0.49 -0.69 -0.03 0.00 -1.82 0.00 0.00 70.33 68.28 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 4.12 3.63 0.00 2.41 0.00 -1.26 -4.70 121.76 125.96 3iio s ALA 54 Ca 1.08 -2.78 0.00 0.00 0.00 0.00 0.00 51.96 50.26 3iio s ALA 54 Cb -1.39 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 18.03 3iio s ALA 54 CO 0.73 -2.53 0.00 0.43 0.00 0.00 0.00 175.76 174.39 3iio n SER 55 N 5.59 0.00 -0.03 0.00 7.64 -1.26 -4.74 113.62 120.82 3iio n SER 55 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 3iio n SER 55 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 3iio n SER 55 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3iio n VAL 56 N 0.00 0.00 1.14 0.44 0.31 -1.26 -4.60 118.33 114.36 3iio n VAL 56 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 3iio n VAL 56 Cb 0.00 -0.18 0.27 0.00 -0.91 0.00 0.00 33.84 33.02 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 -0.45 0.64 -0.17 5.55 -0.58 -1.26 -4.57 120.64 119.80 3iio n GLU 57 Ca 0.00 -0.41 -0.04 0.00 -0.42 0.00 0.00 57.16 56.28 3iio n GLU 57 Cb 0.01 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 29.44 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 1.01 0.51 -0.35 3.49 3.64 -1.84 -1.55 116.57 121.47 3iio h LYS 58 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3iio h LYS 58 Cb 0.54 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 3iio h LYS 58 CO 0.00 0.34 0.17 -0.09 -2.27 0.00 0.00 179.45 177.60 3iio h ARG 59 N 0.52 0.50 -0.05 1.90 2.43 -1.95 -0.80 114.38 116.94 3iio h ARG 59 Ca 0.23 -0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 59.14 3iio h ARG 59 Cb 0.12 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3iio h ARG 59 CO -0.15 0.45 -0.76 -0.22 -1.51 0.00 0.00 179.97 177.78 3iio h LYS 60 N 0.43 0.32 -0.17 0.20 3.64 -1.87 -2.54 116.57 116.57 3iio h LYS 60 Ca 0.12 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3iio h LYS 60 Cb 0.11 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3iio h LYS 60 CO -0.02 0.93 0.11 1.15 -2.27 0.00 0.00 179.45 179.36 3iio h THR 61 N 0.21 1.05 -0.55 1.00 2.02 -1.02 0.10 112.91 115.73 3iio h THR 61 Ca -0.03 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 3iio h THR 61 Cb 1.34 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 3iio h THR 61 CO 0.12 0.05 0.06 0.24 0.37 0.00 0.00 175.52 176.36 3iio h MET 62 N 0.22 0.93 -0.41 6.66 2.86 -1.16 -1.45 114.93 122.58 3iio h MET 62 Ca 0.06 -0.27 -0.13 0.00 -2.06 0.00 0.00 59.70 57.30 3iio h MET 62 Cb -0.01 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3iio h MET 62 CO -0.01 0.92 -0.26 -0.07 1.06 0.00 0.00 176.91 178.55 3iio h LEU 63 N 0.82 0.94 -1.51 1.22 3.38 -1.34 -1.64 115.31 117.18 3iio h LEU 63 Ca 0.16 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3iio h LEU 63 Cb 0.46 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3iio h LEU 63 CO 0.02 1.16 0.12 -0.33 0.09 0.00 0.00 178.44 179.49 3iio h GLU 64 N 0.72 0.45 -0.05 1.13 5.08 -0.70 -2.38 114.58 118.82 3iio h GLU 64 Ca 0.08 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3iio h GLU 64 Cb 0.83 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 3iio h GLU 64 CO 0.07 0.38 -0.03 1.25 -1.00 0.00 0.00 179.01 179.68 3iio h LEU 65 N 0.45 0.12 -1.06 1.33 5.85 -0.84 -1.98 115.31 119.18 3iio h LEU 65 Ca 0.11 -0.43 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 3iio h LEU 65 Cb 0.11 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3iio h LEU 65 CO -0.01 0.53 -0.09 -0.37 -0.34 0.00 0.00 178.44 178.16 3iio h VAL 66 N -0.28 1.23 0.57 1.05 -1.51 -1.22 -0.65 116.25 115.44 3iio h VAL 66 Ca 0.01 -1.00 -0.02 0.00 -1.23 0.00 0.00 66.70 64.47 3iio h VAL 66 Cb 0.48 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.70 3iio h VAL 66 CO 0.01 0.33 -0.44 -0.33 -1.23 0.00 0.00 177.57 175.91 3iio h GLU 67 N 0.52 -0.95 -0.90 5.19 5.08 -1.43 0.19 114.58 122.29 3iio h GLU 67 Ca 0.10 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3iio h GLU 67 Cb 0.47 0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 3iio h GLU 67 CO 0.03 -0.63 0.59 0.87 -1.00 0.00 0.00 179.01 178.87 3iio h LYS 68 N -0.98 1.17 -0.12 2.33 1.57 -0.97 -2.96 116.57 116.61 3iio h LYS 68 Ca -0.07 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3iio h LYS 68 Cb 0.83 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3iio h LYS 68 CO 0.01 0.78 0.03 0.28 -0.57 0.00 0.00 179.45 179.98 3iio h VAL 69 N 1.21 1.19 -0.73 0.50 2.07 -1.10 -2.90 116.25 116.49 3iio h VAL 69 Ca 0.33 -0.58 0.08 0.00 0.82 0.00 0.00 66.70 67.35 3iio h VAL 69 Cb -0.13 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 3iio h VAL 69 CO -0.07 0.17 0.48 0.00 0.02 0.00 0.00 177.57 178.16 3iio h ALA 70 N 0.84 1.76 0.00 1.67 0.00 -0.47 -0.23 119.26 122.83 3iio h ALA 70 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iio h ALA 70 Cb 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3iio h ALA 70 CO -0.00 0.11 -0.35 1.05 0.00 0.00 0.00 179.25 180.06 3iio h GLU 71 N 0.70 0.00 -0.00 0.00 4.11 -1.55 -3.34 114.58 114.50 3iio h GLU 71 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.75 3iio h GLU 71 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3iio h GLU 71 CO -0.11 0.00 -0.42 0.94 0.07 0.00 0.00 179.01 179.49 3iio n GLN 72 N -2.70 2.93 -4.84 1.06 7.27 -0.89 -5.02 117.38 115.18 3iio n GLN 72 Ca 0.03 -0.22 -0.26 0.00 0.07 0.00 0.00 57.00 56.62 3iio n GLN 72 Cb 0.50 -1.05 -0.15 0.00 2.41 0.00 0.00 30.24 31.95 3iio n GLN 72 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3iio s ILE 73 N -1.84 1.52 -1.28 1.69 1.01 -0.15 -4.90 121.20 117.25 3iio s ILE 73 Ca 0.06 -0.90 0.17 0.00 0.00 0.00 0.00 60.65 59.98 3iio s ILE 73 Cb 0.09 -1.28 -0.08 0.00 0.01 0.00 0.00 42.46 41.20 3iio s ILE 73 CO 0.39 0.36 0.83 -0.67 0.00 0.00 0.00 174.94 175.85 3iio n ASP 74 N 2.43 1.35 -4.97 3.58 2.03 -1.26 -4.77 116.55 114.93 3iio n ASP 74 Ca -0.15 -1.17 -0.19 0.00 0.52 0.00 0.00 54.79 53.79 3iio n ASP 74 Cb 0.53 0.68 -0.01 0.00 -0.72 0.00 0.00 41.12 41.61 3iio n ASP 74 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3iio s ILE 75 N -2.25 4.09 0.45 5.18 -4.36 -1.26 -5.07 121.20 117.98 3iio s ILE 75 Ca 0.11 -1.05 -0.24 0.00 -0.26 0.00 0.00 60.65 59.20 3iio s ILE 75 Cb 0.14 -3.41 -0.08 0.00 1.25 0.00 0.00 42.46 40.36 3iio s ILE 75 CO 0.54 -0.18 1.31 -2.84 0.24 0.00 0.00 174.94 174.01 3iio s PRO 76 N -4.13 3.71 0.04 0.37 0.02 -1.26 -4.91 135.00 128.85 3iio s PRO 76 Ca 0.43 2.14 0.03 0.00 0.02 0.00 0.00 61.00 63.62 3iio s PRO 76 Cb -0.09 -2.57 -0.02 0.00 0.02 0.00 0.00 34.50 31.84 3iio s PRO 76 CO 0.30 -0.70 -0.08 -0.59 -0.33 0.00 0.00 177.00 175.60 3iio s PHE 77 N -1.31 0.72 -0.03 6.54 -0.12 -1.26 -1.78 117.98 120.74 3iio s PHE 77 Ca 0.62 -0.45 0.02 0.00 -0.05 0.00 0.00 56.93 57.07 3iio s PHE 77 Cb -0.38 -0.43 -0.03 0.00 -0.63 0.00 0.00 43.02 41.55 3iio s PHE 77 CO 0.47 -0.06 -0.08 0.99 -0.05 0.00 0.00 175.22 176.49 3iio s THR 78 N -1.22 3.59 0.04 -4.49 2.01 0.51 -2.27 115.64 113.81 3iio s THR 78 Ca -0.08 -0.67 0.09 0.00 0.31 0.00 0.00 61.69 61.34 3iio s THR 78 Cb -0.09 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 3iio s THR 78 CO 0.01 0.49 -0.25 0.68 -0.69 0.00 0.00 174.62 174.85 3iio s VAL 79 N -0.90 2.06 0.35 3.82 -7.23 -0.80 -0.28 120.40 117.42 3iio s VAL 79 Ca 0.15 -1.34 -0.12 0.00 -1.81 0.00 0.00 61.98 58.86 3iio s VAL 79 Cb -0.11 -1.76 0.03 0.00 0.56 0.00 0.00 36.38 35.10 3iio s VAL 79 CO 0.04 0.35 0.66 -0.83 -0.31 0.00 0.00 175.10 175.01 3iio s GLY 80 N -1.20 0.72 0.00 2.32 0.00 -0.61 -0.75 107.32 107.81 3iio s GLY 80 Ca 0.11 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.85 3iio s GLY 80 CO 0.02 -0.54 0.00 0.61 0.00 0.00 0.00 173.10 173.18 3iio n GLY 81 N -0.53 0.79 3.10 0.20 0.00 -1.26 -1.84 105.19 105.67 3iio n GLY 81 Ca -0.04 -0.66 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 -0.24 3.42 -0.02 0.00 -1.26 -4.75 105.19 102.34 3iio n GLY 82 Ca 0.00 0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.27 5.08 -0.52 -0.61 1.01 -1.26 -4.93 121.20 116.69 3iio s ILE 83 Ca 0.27 -0.74 0.20 0.00 0.00 0.00 0.00 60.65 60.38 3iio s ILE 83 Cb -0.12 -4.18 -0.26 0.00 0.01 0.00 0.00 42.46 37.91 3iio s ILE 83 CO 0.59 -0.64 0.66 1.41 0.00 0.00 0.00 174.94 176.97 3iio n HIS 84 N 5.62 0.00 -4.01 3.97 8.25 -1.26 -4.74 115.22 123.06 3iio n HIS 84 Ca -0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.26 3iio n HIS 84 Cb 0.45 -0.22 -0.04 0.00 1.12 0.00 0.00 29.99 31.30 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 -3.56 0.22 0.20 0.41 1.47 -1.26 -4.94 116.67 109.22 3iio s ASP 85 Ca 0.01 -1.13 -0.10 0.00 1.18 0.00 0.00 52.55 52.51 3iio s ASP 85 Cb 0.14 0.64 0.22 0.00 -0.34 0.00 0.00 42.92 43.58 3iio s ASP 85 CO 0.83 -1.25 1.78 0.15 0.68 0.00 0.00 175.17 177.37 3iio h PHE 86 N 2.19 0.53 -0.30 2.11 3.57 -1.96 -2.96 116.94 120.12 3iio h PHE 86 Ca -0.27 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.15 3iio h PHE 86 Cb 1.25 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 3iio h PHE 86 CO 0.83 0.22 -0.23 0.93 -2.23 0.00 0.00 178.31 177.83 3iio h GLU 87 N 0.54 0.57 0.16 1.11 4.39 -1.98 0.46 114.58 119.83 3iio h GLU 87 Ca 0.28 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3iio h GLU 87 Cb 0.24 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3iio h GLU 87 CO -0.21 0.76 -0.08 1.15 -1.16 0.00 0.00 179.01 179.48 3iio h THR 88 N 0.51 0.97 -0.01 1.13 2.02 -1.98 -1.64 112.91 113.92 3iio h THR 88 Ca 0.07 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.61 3iio h THR 88 Cb 0.68 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 3iio h THR 88 CO 0.05 0.16 -0.16 0.00 0.37 0.00 0.00 175.52 175.93 3iio h ALA 89 N 0.23 -0.19 -0.60 6.16 0.00 -1.25 -1.31 119.26 122.30 3iio h ALA 89 Ca -0.02 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.02 3iio h ALA 89 Cb 0.42 0.29 -0.12 0.00 0.00 0.00 0.00 17.79 18.37 3iio h ALA 89 CO 0.04 -0.65 -0.19 1.03 0.00 0.00 0.00 179.25 179.47 3iio h SER 90 N -0.26 -0.69 -0.70 0.00 0.87 -0.17 -0.74 113.55 111.86 3iio h SER 90 Ca 0.06 0.19 -0.06 0.00 -1.23 0.00 0.00 61.79 60.75 3iio h SER 90 Cb 0.33 0.42 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 3iio h SER 90 CO -0.16 -0.23 0.20 -0.08 -0.53 0.00 0.00 176.83 176.03 3iio h GLU 91 N -0.04 1.11 -0.18 2.24 4.81 -0.80 -0.28 114.58 121.44 3iio h GLU 91 Ca 0.28 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3iio h GLU 91 Cb 0.48 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3iio h GLU 91 CO -0.64 0.96 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.50 3iio h LEU 92 N 1.06 0.33 0.58 1.64 3.38 -0.63 -1.78 115.31 119.89 3iio h LEU 92 Ca 0.23 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3iio h LEU 92 Cb 0.33 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3iio h LEU 92 CO -0.00 0.60 -0.36 0.40 0.09 0.00 0.00 178.44 179.17 3iio h ILE 93 N 0.06 0.26 -1.09 1.22 2.04 -1.05 -2.18 117.51 116.76 3iio h ILE 93 Ca 0.05 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.22 3iio h ILE 93 Cb 0.45 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 3iio h ILE 93 CO 0.01 0.00 0.77 -0.07 0.00 0.00 0.00 178.15 178.87 3iio h LEU 94 N -0.90 0.09 -0.24 1.44 3.38 -1.05 -0.15 115.31 117.89 3iio h LEU 94 Ca -0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3iio h LEU 94 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3iio h LEU 94 CO 0.07 0.02 -0.15 -1.14 0.09 0.00 0.00 178.44 177.33 3iio n ARG 95 N -4.29 0.63 0.00 1.13 3.00 -0.67 -4.90 116.66 111.56 3iio n ARG 95 Ca 0.24 -0.24 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3iio n ARG 95 Cb 1.11 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 32.07 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 1.31 0.98 3.73 5.14 0.00 -0.07 -4.07 105.19 112.22 3iio n GLY 96 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.69 3.43 0.14 4.61 0.00 -0.85 -4.74 121.76 123.67 3iio s ALA 97 Ca 0.00 0.94 0.03 0.00 0.00 0.00 0.00 51.96 52.93 3iio s ALA 97 Cb 0.00 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 3iio s ALA 97 CO 0.00 -0.37 1.32 -0.44 0.00 0.00 0.00 175.76 176.26 3iio h ASP 98 N 5.41 0.19 -4.99 0.00 3.32 -1.79 -3.39 116.42 115.17 3iio h ASP 98 Ca -0.44 -0.18 -0.14 0.00 0.02 0.00 0.00 57.03 56.29 3iio h ASP 98 Cb 1.21 -0.06 -0.20 0.00 0.22 0.00 0.00 39.33 40.50 3iio h ASP 98 CO 0.75 1.05 -0.50 -0.54 -1.72 0.00 0.00 179.24 178.28 3iio s LYS 99 N -2.98 0.49 -0.09 3.56 1.02 -0.96 -4.28 119.74 116.51 3iio s LYS 99 Ca -0.02 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 55.54 3iio s LYS 99 Cb 0.10 0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 37.59 3iio s LYS 99 CO 0.83 -0.12 -0.12 0.14 -0.92 0.00 0.00 175.35 175.17 3iio s VAL 100 N -1.52 3.24 -0.23 3.17 -7.23 0.22 -1.90 120.40 116.15 3iio s VAL 100 Ca -0.14 -0.63 -0.11 0.00 -1.81 0.00 0.00 61.98 59.29 3iio s VAL 100 Cb -0.07 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 3iio s VAL 100 CO 0.01 0.56 0.17 -0.70 -0.31 0.00 0.00 175.10 174.83 3iio s GLU 101 N -0.33 4.09 0.10 4.82 2.12 0.07 -0.64 118.70 128.93 3iio s GLU 101 Ca 0.03 -0.24 0.07 0.00 0.36 0.00 0.00 54.97 55.20 3iio s GLU 101 Cb -0.13 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 3iio s GLU 101 CO 0.02 0.07 -0.19 0.96 -0.54 0.00 0.00 175.26 175.59 3iio s ILE 102 N 1.02 1.55 0.00 -3.70 -4.36 0.11 -4.33 121.20 111.49 3iio s ILE 102 Ca 0.08 -1.53 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 3iio s ILE 102 Cb -0.13 -1.46 0.00 0.00 1.25 0.00 0.00 42.46 42.11 3iio s ILE 102 CO 0.04 -0.15 0.00 -3.20 0.24 0.00 0.00 174.94 171.88 3iio n ASN 103 N 1.03 0.00 -0.24 4.36 2.85 -1.26 -0.93 115.26 121.07 3iio n ASN 103 Ca -0.19 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.26 3iio n ASN 103 Cb 0.54 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.65 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 1.01 -0.13 -0.44 2.02 -1.93 -1.52 112.91 111.92 3iio h THR 104 Ca 0.00 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 66.86 3iio h THR 104 Cb 0.00 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3iio h THR 104 CO 0.00 0.14 -0.22 0.00 0.37 0.00 0.00 175.52 175.80 3iio h ALA 105 N 1.33 1.39 -0.36 6.16 0.00 -1.92 -0.73 119.26 125.13 3iio h ALA 105 Ca 0.29 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3iio h ALA 105 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3iio h ALA 105 CO -0.16 0.42 -0.33 0.00 0.00 0.00 0.00 179.25 179.19 3iio h ALA 106 N 1.58 0.52 -0.58 0.00 0.00 -1.54 0.45 119.26 119.69 3iio h ALA 106 Ca 0.04 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 3iio h ALA 106 Cb 0.51 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3iio h ALA 106 CO 0.03 0.58 0.06 0.28 0.00 0.00 0.00 179.25 180.20 3iio h VAL 107 N 0.65 1.26 0.00 0.00 2.07 -0.88 -1.81 116.25 117.55 3iio h VAL 107 Ca 0.06 -1.04 -0.16 0.00 0.82 0.00 0.00 66.70 66.38 3iio h VAL 107 Cb 0.91 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3iio h VAL 107 CO 0.08 0.38 -0.84 -0.33 0.02 0.00 0.00 177.57 176.88 3iio h GLU 108 N 0.87 0.00 -2.34 1.57 5.08 -1.14 -3.39 114.58 115.24 3iio h GLU 108 Ca 0.17 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.94 3iio h GLU 108 Cb 0.47 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.33 3iio h GLU 108 CO 0.02 0.71 -0.98 -1.71 -1.00 0.00 0.00 179.01 176.05 3iio n ASN 109 N -3.25 -0.17 -0.30 1.42 5.15 0.15 -5.00 115.26 113.26 3iio n ASN 109 Ca -0.01 -2.48 0.19 0.00 -0.60 0.00 0.00 54.58 51.69 3iio n ASN 109 Cb 0.85 -0.58 0.47 0.00 -0.53 0.00 0.00 39.78 39.99 3iio n ASN 109 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3iio h PRO 110 N 5.34 0.47 -0.99 1.20 0.11 -1.54 -1.25 132.00 135.34 3iio h PRO 110 Ca 0.23 -0.03 0.22 0.00 0.11 0.00 0.00 66.00 66.53 3iio h PRO 110 Cb 0.89 -0.10 -0.10 0.00 0.11 0.00 0.00 31.00 31.80 3iio h PRO 110 CO 0.41 0.31 0.62 0.77 -0.21 0.00 0.00 178.00 179.90 3iio h SER 111 N 0.48 0.61 -0.86 -2.05 0.02 -1.94 -0.83 113.55 108.98 3iio h SER 111 Ca 0.54 0.08 0.20 0.00 -0.84 0.00 0.00 61.79 61.78 3iio h SER 111 Cb 1.24 -0.02 -0.16 0.00 0.14 0.00 0.00 62.40 63.60 3iio h SER 111 CO -0.26 0.19 -0.05 0.25 -1.14 0.00 0.00 176.83 175.81 3iio h LEU 112 N 0.57 -0.52 -0.41 5.07 5.85 -1.57 -0.49 115.31 123.83 3iio h LEU 112 Ca 0.56 0.24 0.08 0.00 0.84 0.00 0.00 57.88 59.61 3iio h LEU 112 Cb 1.14 0.44 -0.08 0.00 0.37 0.00 0.00 40.66 42.54 3iio h LEU 112 CO -0.32 -0.26 -0.12 0.40 -0.34 0.00 0.00 178.44 177.80 3iio h ILE 113 N 0.05 0.56 -0.33 4.05 2.04 -1.32 -2.21 117.51 120.35 3iio h ILE 113 Ca 0.47 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.23 3iio h ILE 113 Cb 0.85 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3iio h ILE 113 CO -0.81 0.00 -0.23 0.74 0.00 0.00 0.00 178.15 177.85 3iio h THR 114 N -0.03 1.27 -0.42 -0.27 2.02 -1.20 -1.82 112.91 112.46 3iio h THR 114 Ca 0.20 -1.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.03 3iio h THR 114 Cb 0.32 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 3iio h THR 114 CO -0.43 0.42 0.02 1.56 0.37 0.00 0.00 175.52 177.46 3iio h GLN 115 N 0.56 0.73 -0.22 6.66 4.20 -0.73 0.93 115.11 127.23 3iio h GLN 115 Ca 0.08 -0.22 -0.17 0.00 0.06 0.00 0.00 58.65 58.40 3iio h GLN 115 Cb 0.69 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 3iio h GLN 115 CO 0.05 0.79 -0.56 0.82 -0.67 0.00 0.00 178.83 179.26 3iio h ILE 116 N 0.57 1.30 -0.40 2.54 2.04 -1.36 -3.12 117.51 119.08 3iio h ILE 116 Ca 0.12 -1.79 -0.08 0.00 1.00 0.00 0.00 64.86 64.12 3iio h ILE 116 Cb 0.45 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3iio h ILE 116 CO 0.02 0.57 -0.06 0.00 0.00 0.00 0.00 178.15 178.68 3iio h ALA 117 N 0.85 0.55 -0.01 1.87 0.00 -1.04 0.14 119.26 121.62 3iio h ALA 117 Ca 0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3iio h ALA 117 Cb 1.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3iio h ALA 117 CO 0.11 0.38 -0.28 1.96 0.00 0.00 0.00 179.25 181.43 3iio h GLN 118 N 0.56 0.01 0.00 0.00 4.20 -0.88 1.11 115.11 120.11 3iio h GLN 118 Ca 0.11 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.65 3iio h GLN 118 Cb 0.56 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 3iio h GLN 118 CO 0.03 0.29 -0.93 1.15 -0.67 0.00 0.00 178.83 178.70 3iio h THR 119 N 0.01 0.93 -0.00 -0.54 2.02 -1.47 -3.42 112.91 110.44 3iio h THR 119 Ca -0.00 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.15 3iio h THR 119 Cb 0.50 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 3iio h THR 119 CO 0.04 0.31 -0.95 0.49 0.37 0.00 0.00 175.52 175.78 3iio n PHE 120 N -4.49 0.00 0.00 3.16 3.72 0.47 -5.09 117.46 115.23 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 0.58 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 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 1.48 0.83 0.45 1.37 0.00 0.38 -4.53 105.19 105.17 3iio n GLY 121 Ca 0.04 -1.59 0.27 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 1.22 1.61 0.02 -1.77 -2.49 113.55 112.14 3iio h SER 122 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3iio h SER 122 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3iio h SER 122 CO 0.00 0.00 -0.03 0.06 -1.14 0.00 0.00 176.83 175.72 3iio h GLN 123 N 0.00 0.00 0.00 3.45 -0.00 -1.88 -1.13 115.11 115.56 3iio h GLN 123 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.03 3iio h GLN 123 Cb 1.57 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.05 3iio h GLN 123 CO -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 178.83 178.85 3iio h ALA 124 N 1.97 1.00 -3.09 0.06 0.00 -1.62 -3.45 119.26 114.13 3iio h ALA 124 Ca -0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 3iio h ALA 124 Cb 0.64 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.15 3iio h ALA 124 CO 0.00 0.00 -0.59 0.08 0.00 0.00 0.00 179.25 178.74 3iio s VAL 125 N -3.27 3.93 -0.17 0.00 1.01 -0.79 -0.61 120.40 120.50 3iio s VAL 125 Ca 0.06 -1.08 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 3iio s VAL 125 Cb 0.10 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 3iio s VAL 125 CO 0.51 -0.19 0.02 -0.69 0.00 0.00 0.00 175.10 174.75 3iio s VAL 126 N 1.43 4.39 -0.23 2.92 1.01 0.18 -1.89 120.40 128.21 3iio s VAL 126 Ca -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 3iio s VAL 126 Cb -0.19 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 3iio s VAL 126 CO 0.04 0.48 0.00 -0.69 0.00 0.00 0.00 175.10 174.93 3iio s VAL 127 N 0.33 3.74 -0.16 2.92 1.01 -0.99 0.08 120.40 127.33 3iio s VAL 127 Ca 0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.36 3iio s VAL 127 Cb -0.13 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 3iio s VAL 127 CO 0.01 0.39 0.81 -0.47 0.00 0.00 0.00 175.10 175.85 3iio s TYR 128 N 1.52 3.43 -0.36 5.22 5.04 -0.10 -1.29 117.35 130.81 3iio s TYR 128 Ca 0.06 1.24 -0.03 0.00 -2.44 0.00 0.00 57.07 55.89 3iio s TYR 128 Cb -0.15 -2.99 0.07 0.00 0.35 0.00 0.00 41.96 39.25 3iio s TYR 128 CO -0.01 -0.21 0.11 0.42 -1.34 0.00 0.00 175.55 174.53 3iio s ILE 129 N 2.02 3.32 -0.15 3.14 1.01 0.11 -4.52 121.20 126.13 3iio s ILE 129 Ca 0.38 -1.60 -0.29 0.00 0.00 0.00 0.00 60.65 59.13 3iio s ILE 129 Cb -0.17 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.24 3iio s ILE 129 CO 0.13 -0.37 1.04 0.00 0.00 0.00 0.00 174.94 175.74 3iio s ALA 130 N 1.25 3.52 0.16 9.38 0.00 -1.26 -1.19 121.76 133.62 3iio s ALA 130 Ca 0.01 0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.34 3iio s ALA 130 Cb -0.21 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 3iio s ALA 130 CO -0.01 -0.79 -0.05 0.00 0.00 0.00 0.00 175.76 174.90 3iio s ALA 131 N 2.50 1.44 -0.09 0.00 0.00 -0.70 -1.17 121.76 123.74 3iio s ALA 131 Ca 0.48 -1.55 -0.25 0.00 0.00 0.00 0.00 51.96 50.63 3iio s ALA 131 Cb -0.18 0.26 0.06 0.00 0.00 0.00 0.00 23.12 23.26 3iio s ALA 131 CO 0.14 -0.20 0.59 0.21 0.00 0.00 0.00 175.76 176.50 3iio s LYS 132 N -3.82 0.89 -0.09 0.00 2.20 -0.60 -0.45 119.74 117.88 3iio s LYS 132 Ca 0.20 0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.83 3iio s LYS 132 Cb 0.04 0.42 -0.03 0.00 -1.51 0.00 0.00 37.83 36.75 3iio s LYS 132 CO 0.02 -0.24 1.37 1.03 -0.36 0.00 0.00 175.35 177.17 3iio s ARG 133 N -0.84 4.25 -0.14 4.03 0.52 -1.26 -0.74 118.95 124.77 3iio s ARG 133 Ca -0.09 1.84 -0.02 0.00 -0.52 0.00 0.00 55.73 56.94 3iio s ARG 133 Cb -0.02 -3.74 0.05 0.00 0.52 0.00 0.00 34.95 31.75 3iio s ARG 133 CO 0.07 -0.67 0.03 0.08 0.02 0.00 0.00 175.30 174.82 3iio s VAL 134 N 3.20 0.39 -1.50 3.52 1.01 0.52 -4.84 120.40 122.71 3iio s VAL 134 Ca 0.61 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.27 3iio s VAL 134 Cb -0.27 -0.76 0.07 0.00 0.00 0.00 0.00 36.38 35.42 3iio s VAL 134 CO 0.21 -0.01 0.80 0.47 0.00 0.00 0.00 175.10 176.57 3iio n ASP 135 N 5.12 -3.05 -0.38 3.32 8.00 -1.26 -1.65 116.55 126.65 3iio n ASP 135 Ca -0.08 -0.87 -0.05 0.00 0.71 0.00 0.00 54.79 54.50 3iio n ASP 135 Cb 0.49 -3.57 -0.02 0.00 -0.02 0.00 0.00 41.12 37.99 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 -1.66 0.74 3.12 0.44 0.00 -1.26 -5.02 105.19 101.55 3iio n GLY 136 Ca -0.08 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.97 1.61 -0.27 1.61 2.02 -0.66 -5.10 118.70 115.94 3iio s GLU 137 Ca 0.00 -0.57 -0.29 0.00 0.02 0.00 0.00 54.97 54.12 3iio s GLU 137 Cb 0.00 -1.44 -0.00 0.00 0.10 0.00 0.00 34.13 32.79 3iio s GLU 137 CO 0.00 0.25 1.25 -0.06 0.02 0.00 0.00 175.26 176.73 3iio s PHE 138 N -0.03 2.81 -0.01 1.61 0.08 -1.26 -0.35 117.98 120.82 3iio s PHE 138 Ca -0.02 0.97 0.05 0.00 0.12 0.00 0.00 56.93 58.05 3iio s PHE 138 Cb -0.10 -3.75 -0.03 0.00 -0.57 0.00 0.00 43.02 38.57 3iio s PHE 138 CO 0.01 -1.54 -0.15 -1.64 -0.10 0.00 0.00 175.22 171.81 3iio s MET 139 N 3.90 2.37 0.08 0.44 -1.94 0.08 -1.16 119.30 123.06 3iio s MET 139 Ca 0.54 -0.79 -0.29 0.00 -1.71 0.00 0.00 55.69 53.44 3iio s MET 139 Cb -0.17 -2.33 -0.05 0.00 2.01 0.00 0.00 34.83 34.29 3iio s MET 139 CO 0.19 0.59 0.92 0.08 -0.01 0.00 0.00 175.02 176.80 3iio s VAL 140 N -0.82 4.62 0.04 -6.03 1.01 0.48 -1.55 120.40 118.15 3iio s VAL 140 Ca 0.13 1.97 0.09 0.00 0.00 0.00 0.00 61.98 64.17 3iio s VAL 140 Cb -0.11 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 3iio s VAL 140 CO 0.03 0.30 -0.25 -0.36 0.00 0.00 0.00 175.10 174.82 3iio s PHE 141 N 0.17 2.20 0.47 5.22 0.40 -0.32 -2.26 117.98 123.86 3iio s PHE 141 Ca 0.46 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.40 3iio s PHE 141 Cb -0.22 -1.31 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 3iio s PHE 141 CO 0.28 0.12 0.07 0.25 0.70 0.00 0.00 175.22 176.63 3iio n THR 142 N 1.80 0.00 -3.42 0.64 -2.24 0.09 -4.39 114.28 106.76 3iio n THR 142 Ca -0.17 -2.43 -0.20 0.00 -2.27 0.00 0.00 64.05 58.98 3iio n THR 142 Cb 0.52 0.66 0.06 0.00 -2.10 0.00 0.00 70.33 69.47 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 -1.13 -2.25 -2.92 4.78 4.01 -1.26 -1.06 117.16 117.33 3iio n TYR 143 Ca -0.14 0.75 -0.20 0.00 -0.16 0.00 0.00 57.90 58.14 3iio n TYR 143 Cb 0.64 -4.02 0.03 0.00 -0.31 0.00 0.00 39.34 35.68 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 -3.05 -5.76 0.00 7.72 7.64 -1.26 -2.04 113.62 116.86 3iio n SER 144 Ca -0.11 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.52 3iio n SER 144 Cb 0.62 -4.60 0.00 0.00 -1.01 0.00 0.00 64.21 59.22 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 -1.44 0.63 0.08 0.23 0.00 -1.16 -4.95 105.19 98.57 3iio n GLY 145 Ca -0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.72 0.62 -5.12 1.61 1.02 -0.66 -4.83 120.64 110.58 3iio n GLU 146 Ca 0.00 0.02 -0.32 0.00 -0.02 0.00 0.00 57.16 56.84 3iio n GLU 146 Cb 0.00 -1.73 -0.16 0.00 -0.02 0.00 0.00 31.44 29.53 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 -3.42 2.94 -0.81 3.49 2.20 -0.22 -4.97 119.74 118.95 3iio s LYS 147 Ca -0.03 -0.83 -0.18 0.00 -0.36 0.00 0.00 55.97 54.57 3iio s LYS 147 Cb 0.11 -2.34 0.14 0.00 -1.51 0.00 0.00 37.83 34.23 3iio s LYS 147 CO 0.83 0.27 0.95 1.21 -0.36 0.00 0.00 175.35 178.26 3iio s ASN 148 N 0.13 6.52 0.45 1.43 3.84 -1.26 -0.73 114.94 125.33 3iio s ASN 148 Ca -0.11 -1.96 0.18 0.00 0.21 0.00 0.00 52.86 51.18 3iio s ASN 148 Cb -0.16 -2.34 1.00 0.00 -0.55 0.00 0.00 41.25 39.20 3iio s ASN 148 CO 0.06 -1.01 1.50 0.71 -2.79 0.00 0.00 177.10 175.57 3iio h THR 149 N 5.64 0.00 0.00 -5.21 1.35 -1.82 -3.44 112.91 109.43 3iio h THR 149 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 3iio h THR 149 Cb 1.04 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 3iio h THR 149 CO 1.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.92 3iio n GLY 150 N -1.26 0.45 3.70 5.82 0.00 -1.26 -5.01 105.19 107.62 3iio n GLY 150 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 5.28 0.16 -0.61 1.01 -1.26 -4.99 121.20 118.79 3iio s ILE 151 Ca 0.00 0.54 -0.31 0.00 0.00 0.00 0.00 60.65 60.87 3iio s ILE 151 Cb 0.00 -3.64 -0.10 0.00 0.01 0.00 0.00 42.46 38.73 3iio s ILE 151 CO 0.00 0.34 1.53 -0.76 0.00 0.00 0.00 174.94 176.05 3iio s LEU 152 N 0.80 4.37 0.24 2.97 1.43 -1.26 -0.39 118.68 126.84 3iio s LEU 152 Ca 0.16 2.56 -0.06 0.00 -1.03 0.00 0.00 54.13 55.76 3iio s LEU 152 Cb -0.13 -3.59 0.46 0.00 0.03 0.00 0.00 46.19 42.95 3iio s LEU 152 CO 0.05 -0.79 1.66 0.25 0.23 0.00 0.00 176.35 177.76 3iio h LEU 153 N 6.78 -0.12 -1.96 1.79 5.85 -1.44 0.40 115.31 126.60 3iio h LEU 153 Ca -0.43 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.47 3iio h LEU 153 Cb 1.21 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.48 3iio h LEU 153 CO 0.90 -0.10 0.04 0.08 -0.34 0.00 0.00 178.44 179.03 3iio h ARG 154 N 0.20 0.06 0.15 1.25 0.11 -1.92 -1.36 114.38 112.87 3iio h ARG 154 Ca 0.42 -0.00 -0.25 0.00 0.10 0.00 0.00 59.98 60.24 3iio h ARG 154 Cb 0.73 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.81 3iio h ARG 154 CO -0.57 0.04 -1.19 -0.44 0.10 0.00 0.00 179.97 177.91 3iio h ASP 155 N 0.06 0.50 -0.55 0.08 3.45 -1.35 -3.33 116.42 115.28 3iio h ASP 155 Ca 0.03 -0.91 -0.03 0.00 0.43 0.00 0.00 57.03 56.54 3iio h ASP 155 Cb 0.03 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 38.61 3iio h ASP 155 CO -0.00 1.55 0.23 -0.25 -1.57 0.00 0.00 179.24 179.20 3iio h TRP 156 N -0.24 0.86 -0.57 4.55 -0.00 -0.93 -1.58 115.95 118.04 3iio h TRP 156 Ca -0.23 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.89 58.59 3iio h TRP 156 Cb 1.80 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.16 30.66 3iio h TRP 156 CO 0.16 0.67 0.29 0.28 -0.00 0.00 0.00 178.44 179.83 3iio h VAL 157 N 0.84 1.20 -0.28 2.65 2.07 -1.40 -0.60 116.25 120.73 3iio h VAL 157 Ca 0.20 -0.54 -0.17 0.00 0.82 0.00 0.00 66.70 67.01 3iio h VAL 157 Cb 0.17 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3iio h VAL 157 CO -0.02 0.22 -0.52 0.58 0.02 0.00 0.00 177.57 177.86 3iio h VAL 158 N 0.77 1.28 -0.43 2.57 2.07 -1.63 -2.77 116.25 118.12 3iio h VAL 158 Ca 0.20 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 66.01 3iio h VAL 158 Cb 0.09 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3iio h VAL 158 CO -0.03 0.55 0.28 -0.08 0.02 0.00 0.00 177.57 178.31 3iio h GLU 159 N 0.63 0.58 -0.65 1.57 4.57 -0.99 -1.32 114.58 118.96 3iio h GLU 159 Ca 0.02 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 3iio h GLU 159 Cb 1.11 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.54 3iio h GLU 159 CO 0.11 0.40 0.26 0.28 -1.18 0.00 0.00 179.01 178.88 3iio h VAL 160 N 0.58 1.24 -0.11 0.32 2.07 -1.03 0.15 116.25 119.46 3iio h VAL 160 Ca 0.16 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3iio h VAL 160 Cb -0.04 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3iio h VAL 160 CO -0.03 0.29 0.00 -0.08 0.02 0.00 0.00 177.57 177.77 3iio h GLU 161 N 0.91 0.18 -0.75 1.57 4.81 -1.48 -1.89 114.58 117.95 3iio h GLU 161 Ca 0.22 -0.06 0.15 0.00 -0.13 0.00 0.00 59.36 59.54 3iio h GLU 161 Cb 0.21 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.47 3iio h GLU 161 CO -0.02 0.43 0.25 -0.22 -0.73 0.00 0.00 179.01 178.72 3iio h LYS 162 N -0.08 0.35 0.00 1.92 3.64 -0.70 -0.68 116.57 121.01 3iio h LYS 162 Ca 0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3iio h LYS 162 Cb 0.34 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3iio h LYS 162 CO 0.00 0.23 0.00 0.54 -2.27 0.00 0.00 179.45 177.95 3iio n ARG 163 N -5.08 0.07 0.00 1.90 5.12 0.47 -4.91 116.66 114.23 3iio n ARG 163 Ca 0.14 0.29 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 3iio n ARG 163 Cb 0.45 -1.63 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 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 0.12 1.08 3.75 -0.13 0.00 -0.26 -3.09 105.19 106.66 3iio n GLY 164 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 2.75 -0.02 4.61 0.00 -0.73 -4.41 121.76 121.96 3iio s ALA 165 Ca 0.00 1.23 -0.07 0.00 0.00 0.00 0.00 51.96 53.13 3iio s ALA 165 Cb 0.00 -3.53 -0.29 0.00 0.00 0.00 0.00 23.12 19.30 3iio s ALA 165 CO 0.00 -1.29 0.75 0.78 0.00 0.00 0.00 175.76 176.00 3iio h GLY 166 N 1.35 0.36 -2.89 0.00 0.00 -0.51 -3.45 103.07 97.94 3iio h GLY 166 Ca -0.51 -0.93 -0.08 0.00 0.00 0.00 0.00 47.33 45.82 3iio h GLY 166 CO 0.57 0.82 -0.24 -1.83 0.00 0.00 0.00 176.54 175.85 3iio s GLU 167 N -2.60 1.09 -0.15 4.80 -1.05 -1.20 -4.23 118.70 115.37 3iio s GLU 167 Ca -0.12 -0.99 0.01 0.00 -0.15 0.00 0.00 54.97 53.71 3iio s GLU 167 Cb 0.06 0.40 0.02 0.00 -0.44 0.00 0.00 34.13 34.18 3iio s GLU 167 CO 0.85 -0.41 -0.15 0.42 0.95 0.00 0.00 175.26 176.93 3iio s ILE 168 N -3.90 1.59 -0.27 1.83 1.01 -0.56 -2.34 121.20 118.56 3iio s ILE 168 Ca 0.10 -0.65 -0.25 0.00 0.00 0.00 0.00 60.65 59.86 3iio s ILE 168 Cb 0.03 -1.48 -0.00 0.00 0.01 0.00 0.00 42.46 41.01 3iio s ILE 168 CO -0.05 0.46 0.85 -0.69 0.00 0.00 0.00 174.94 175.51 3iio s VAL 169 N 1.42 4.78 -0.45 2.92 1.01 -0.41 0.42 120.40 130.09 3iio s VAL 169 Ca 0.04 1.48 -0.14 0.00 0.00 0.00 0.00 61.98 63.36 3iio s VAL 169 Cb -0.13 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 32.15 3iio s VAL 169 CO -0.10 -0.17 0.36 -0.22 0.00 0.00 0.00 175.10 174.96 3iio s LEU 170 N 2.98 5.46 -0.25 3.92 2.96 0.32 0.07 118.68 134.14 3iio s LEU 170 Ca 0.35 -1.28 -0.07 0.00 -0.22 0.00 0.00 54.13 52.91 3iio s LEU 170 Cb -0.15 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 3iio s LEU 170 CO 0.10 -0.59 0.07 -0.83 -1.32 0.00 0.00 176.35 173.78 3iio s GLY 171 N 2.37 1.78 -0.34 7.98 0.00 -0.33 -1.98 107.32 116.79 3iio s GLY 171 Ca 0.04 -1.10 -0.25 0.00 0.00 0.00 0.00 44.72 43.41 3iio s GLY 171 CO 0.06 0.51 0.87 -0.45 0.00 0.00 0.00 173.10 174.09 3iio s SER 172 N 1.54 6.67 0.32 1.64 0.15 -1.07 -1.72 113.70 121.23 3iio s SER 172 Ca 0.06 0.60 0.02 0.00 0.70 0.00 0.00 55.95 57.33 3iio s SER 172 Cb -0.15 -2.44 0.54 0.00 -1.71 0.00 0.00 66.02 62.26 3iio s SER 172 CO 0.04 -0.76 1.87 0.40 1.20 0.00 0.00 173.24 176.00 3iio h ILE 173 N 5.73 1.20 0.00 6.45 2.04 -1.12 -1.68 117.51 130.13 3iio h ILE 173 Ca -0.24 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 64.89 3iio h ILE 173 Cb 1.09 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 3iio h ILE 173 CO 0.94 0.27 0.04 0.44 0.00 0.00 0.00 178.15 179.84 3iio h ASP 174 N 0.63 0.00 -0.15 1.72 3.32 -1.91 -2.60 116.42 117.43 3iio h ASP 174 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3iio h ASP 174 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3iio h ASP 174 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 3iio n ARG 175 N -2.40 1.49 -1.86 3.56 5.12 -0.64 -4.96 116.66 116.97 3iio n ARG 175 Ca -0.02 -1.54 -0.42 0.00 -1.93 0.00 0.00 57.85 53.94 3iio n ARG 175 Cb 0.08 -1.25 -0.03 0.00 -1.16 0.00 0.00 32.46 30.10 3iio n ARG 175 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3iio s LEU 176 N -0.99 4.37 -0.46 0.55 2.96 -0.98 -1.38 118.68 122.76 3iio s LEU 176 Ca 0.18 2.64 0.00 0.00 -0.22 0.00 0.00 54.13 56.73 3iio s LEU 176 Cb 0.11 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.22 3iio s LEU 176 CO 0.16 -0.90 0.00 0.61 -1.32 0.00 0.00 176.35 174.89 3iio n GLY 177 N 3.96 0.42 3.92 7.98 0.00 -1.26 -4.99 105.19 115.21 3iio n GLY 177 Ca 0.16 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.38 5.03 -0.13 2.61 -4.23 -0.48 -5.01 115.64 112.07 3iio s THR 178 Ca 0.00 -0.11 0.15 0.00 -1.18 0.00 0.00 61.69 60.55 3iio s THR 178 Cb 0.00 -3.80 0.35 0.00 1.34 0.00 0.00 72.50 70.39 3iio s THR 178 CO 0.00 -0.51 1.17 0.29 -0.54 0.00 0.00 174.62 175.04 3iio n LYS 179 N -1.49 1.01 0.00 3.99 4.76 -1.25 -3.69 118.16 121.50 3iio n LYS 179 Ca -0.02 -2.64 0.12 0.00 -2.87 0.00 0.00 58.31 52.89 3iio n LYS 179 Cb 0.55 -1.12 0.16 0.00 -1.84 0.00 0.00 35.03 32.78 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 -0.71 0.88 0.00 4.39 3.41 -1.09 -3.78 113.62 116.72 3iio n SER 180 Ca 0.14 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 3iio n SER 180 Cb 0.78 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 65.17 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 1.46 4.43 3.66 5.00 0.00 0.36 -4.96 105.19 115.14 3iio n GLY 181 Ca 0.07 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 3iio n GLY 181 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3iio n TYR 182 N -1.84 1.04 -2.51 1.61 4.01 -1.26 -4.29 117.16 113.93 3iio n TYR 182 Ca 0.00 0.40 -0.43 0.00 -0.16 0.00 0.00 57.90 57.71 3iio n TYR 182 Cb 0.00 -2.10 0.00 0.00 -0.31 0.00 0.00 39.34 36.93 3iio n TYR 182 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3iio n ASP 183 N -2.51 4.84 0.07 7.72 -0.08 -1.26 -4.81 116.55 120.52 3iio n ASP 183 Ca 0.13 -2.92 0.00 0.00 -1.51 0.00 0.00 54.79 50.50 3iio n ASP 183 Cb 0.50 -1.72 0.32 0.00 2.34 0.00 0.00 41.12 42.56 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 5.25 1.21 -0.50 5.18 1.35 -1.93 -1.76 112.91 121.72 3iio h THR 184 Ca 0.45 -0.93 0.03 0.00 -0.55 0.00 0.00 66.41 65.41 3iio h THR 184 Cb 0.84 1.21 -0.04 0.00 -1.73 0.00 0.00 68.15 68.43 3iio h THR 184 CO 1.49 0.30 0.28 -0.08 -0.25 0.00 0.00 175.52 177.26 3iio h GLU 185 N 0.33 0.54 -0.23 4.72 4.81 -1.98 0.14 114.58 122.90 3iio h GLU 185 Ca 0.06 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3iio h GLU 185 Cb 0.45 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3iio h GLU 185 CO 0.03 0.35 0.10 1.98 -0.73 0.00 0.00 179.01 180.74 3iio h MET 186 N 0.55 0.35 -0.25 1.92 4.05 -1.75 -0.62 114.93 119.17 3iio h MET 186 Ca 0.21 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 59.61 3iio h MET 186 Cb 0.07 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.77 3iio h MET 186 CO -0.12 0.39 -0.02 0.82 0.23 0.00 0.00 176.91 178.21 3iio h ILE 187 N 0.23 0.80 -0.64 1.77 2.04 -1.24 -1.71 117.51 118.76 3iio h ILE 187 Ca 0.08 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.93 3iio h ILE 187 Cb 0.17 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3iio h ILE 187 CO -0.01 0.01 0.43 0.03 0.00 0.00 0.00 178.15 178.61 3iio h ARG 188 N 0.06 0.84 -0.55 2.37 3.08 -0.57 -0.18 114.38 119.42 3iio h ARG 188 Ca 0.12 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3iio h ARG 188 Cb 0.16 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3iio h ARG 188 CO -0.22 0.55 0.27 0.35 -1.07 0.00 0.00 179.97 179.86 3iio h PHE 189 N 0.86 0.78 0.10 3.04 3.57 -0.53 -3.21 116.94 121.55 3iio h PHE 189 Ca 0.24 -0.03 -0.27 0.00 3.53 0.00 0.00 57.97 61.43 3iio h PHE 189 Cb -0.08 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 3iio h PHE 189 CO -0.00 0.60 -1.30 0.28 -2.23 0.00 0.00 178.31 175.66 3iio h VAL 190 N 0.74 1.42 -0.68 1.41 2.07 -1.01 -3.39 116.25 116.80 3iio h VAL 190 Ca 0.19 -3.05 0.13 0.00 0.82 0.00 0.00 66.70 64.79 3iio h VAL 190 Cb 0.10 2.85 -0.13 0.00 -1.52 0.00 0.00 31.29 32.60 3iio h VAL 190 CO -0.03 0.87 -0.25 -0.09 0.02 0.00 0.00 177.57 178.09 3iio h ARG 191 N 0.05 -0.07 0.00 1.57 9.65 -1.04 0.94 114.38 125.50 3iio h ARG 191 Ca -0.15 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 3iio h ARG 191 Cb 1.95 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.54 3iio h ARG 191 CO 0.17 -0.04 0.00 -0.35 2.80 0.00 0.00 179.97 182.55 3iio n PRO 192 N -5.46 0.07 0.03 0.20 -0.04 -1.26 -3.34 135.00 125.20 3iio n PRO 192 Ca 0.07 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.92 3iio n PRO 192 Cb 0.37 -1.63 0.39 0.00 -0.04 0.00 0.00 33.50 32.59 3iio n PRO 192 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3iio n LEU 193 N -1.76 0.42 -3.69 1.53 4.77 0.32 -4.92 117.00 113.67 3iio n LEU 193 Ca 0.04 0.31 -0.14 0.00 -0.03 0.00 0.00 56.01 56.19 3iio n LEU 193 Cb 0.24 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 40.91 3iio n LEU 193 CO 0.19 -0.00 0.14 0.28 -1.33 0.00 0.00 177.39 176.67 3iio s THR 194 N -3.05 0.04 -2.18 -5.08 -1.32 -1.21 -4.61 115.64 98.24 3iio s THR 194 Ca 0.11 -0.35 0.25 0.00 -1.21 0.00 0.00 61.69 60.49 3iio s THR 194 Cb 0.16 -0.75 0.18 0.00 -1.51 0.00 0.00 72.50 70.58 3iio s THR 194 CO 0.63 -0.19 1.34 0.35 -2.21 0.00 0.00 174.62 174.54 3iio n THR 195 N 1.10 0.00 -2.58 5.08 -2.24 -1.26 -4.86 114.28 109.52 3iio n THR 195 Ca -0.21 -0.26 -0.34 0.00 -2.27 0.00 0.00 64.05 60.98 3iio n THR 195 Cb 0.57 0.95 -0.04 0.00 -2.10 0.00 0.00 70.33 69.70 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 -2.34 3.85 0.15 3.22 1.43 -1.26 -5.00 118.68 118.72 3iio s LEU 196 Ca 0.24 1.86 -0.34 0.00 -1.03 0.00 0.00 54.13 54.86 3iio s LEU 196 Cb 0.19 -4.55 -0.15 0.00 0.03 0.00 0.00 46.19 41.71 3iio s LEU 196 CO 0.48 -0.70 1.42 -2.65 0.23 0.00 0.00 176.35 175.13 3iio n PRO 197 N -0.95 1.67 -4.34 1.29 -0.02 -1.26 -4.89 135.00 126.50 3iio n PRO 197 Ca 0.09 0.60 -0.34 0.00 -2.02 0.00 0.00 63.50 61.83 3iio n PRO 197 Cb 0.53 -2.28 -0.13 0.00 -0.02 0.00 0.00 33.50 31.60 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 0.49 3.54 -0.26 4.25 1.01 -1.26 -1.50 121.20 127.48 3iio s ILE 198 Ca 0.79 -0.47 -0.08 0.00 0.00 0.00 0.00 60.65 60.89 3iio s ILE 198 Cb -0.79 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 3iio s ILE 198 CO 0.44 0.48 0.09 -0.63 0.00 0.00 0.00 174.94 175.32 3iio s ILE 199 N 0.72 4.49 0.21 2.92 -1.09 0.17 -0.19 121.20 128.43 3iio s ILE 199 Ca -0.03 -0.11 -0.30 0.00 -2.23 0.00 0.00 60.65 57.98 3iio s ILE 199 Cb -0.15 -3.11 -0.08 0.00 -1.58 0.00 0.00 42.46 37.54 3iio s ILE 199 CO 0.02 0.32 1.09 0.00 -1.23 0.00 0.00 174.94 175.14 3iio s ALA 200 N 1.64 3.38 -0.10 9.38 0.00 0.58 -0.53 121.76 136.11 3iio s ALA 200 Ca 0.06 0.83 -0.08 0.00 0.00 0.00 0.00 51.96 52.77 3iio s ALA 200 Cb -0.15 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.66 3iio s ALA 200 CO 0.05 -0.17 0.26 -1.58 0.00 0.00 0.00 175.76 174.32 3iio s HIS 201 N -0.55 -0.31 0.00 0.00 5.04 -0.84 -0.54 115.29 118.10 3iio s HIS 201 Ca 0.48 0.74 0.00 0.00 -1.54 0.00 0.00 55.06 54.74 3iio s HIS 201 Cb -0.30 0.09 0.00 0.00 0.04 0.00 0.00 32.58 32.41 3iio s HIS 201 CO 0.36 -0.18 0.00 0.54 -2.34 0.00 0.00 174.74 173.13 3iio n ARG 202 N 3.41 0.00 0.00 2.88 1.74 -1.26 -2.59 116.66 120.84 3iio n ARG 202 Ca -0.17 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3iio n ARG 202 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 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 1.07 1.12 3.67 -0.13 0.00 -1.21 -4.17 105.19 105.55 3iio n GLY 203 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 3iio n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iio n ALA 204 N -0.05 -0.56 0.00 4.61 0.00 -1.26 -0.48 120.51 122.76 3iio n ALA 204 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3iio n ALA 204 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.29 3iio n ALA 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iio n GLY 205 N 3.57 0.00 3.22 0.00 0.00 -1.25 -4.68 105.19 106.06 3iio n GLY 205 Ca 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.49 1.03 0.27 1.61 -2.85 -1.26 -4.88 119.74 112.16 3iio s LYS 206 Ca 0.00 -1.35 -0.01 0.00 -1.00 0.00 0.00 55.97 53.61 3iio s LYS 206 Cb 0.00 0.29 0.48 0.00 -2.06 0.00 0.00 37.83 36.54 3iio s LYS 206 CO 0.00 -0.33 1.84 0.52 0.10 0.00 0.00 175.35 177.48 3iio h MET 207 N 2.73 0.95 0.00 1.78 2.86 -1.99 -2.05 114.93 119.22 3iio h MET 207 Ca -0.34 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.24 3iio h MET 207 Cb 1.21 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.66 3iio h MET 207 CO 0.55 0.63 -0.01 0.93 1.06 0.00 0.00 176.91 180.06 3iio h GLU 208 N 0.98 0.00 -0.24 1.72 3.07 -1.99 -2.18 114.58 115.94 3iio h GLU 208 Ca 0.46 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.23 3iio h GLU 208 Cb 0.39 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 3iio h GLU 208 CO -0.24 0.01 -0.21 0.45 -1.40 0.00 0.00 179.01 177.62 3iio h HIS 209 N 0.00 0.47 -0.23 4.33 3.86 -1.78 -0.84 115.15 120.96 3iio h HIS 209 Ca -0.00 -0.09 -0.08 0.00 -1.16 0.00 0.00 60.37 59.04 3iio h HIS 209 Cb 0.03 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 3iio h HIS 209 CO 0.00 0.62 -0.17 0.74 0.86 0.00 0.00 177.93 179.98 3iio h PHE 210 N 0.39 0.62 -0.32 2.45 0.04 -1.49 -2.57 116.94 116.06 3iio h PHE 210 Ca 0.06 -0.17 0.06 0.00 2.80 0.00 0.00 57.97 60.72 3iio h PHE 210 Cb 0.59 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 38.55 3iio h PHE 210 CO 0.02 0.83 -0.06 1.25 -0.60 0.00 0.00 178.31 179.75 3iio h LEU 211 N 0.23 -0.25 -1.66 1.54 5.85 -1.40 -2.52 115.31 117.11 3iio h LEU 211 Ca 0.04 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3iio h LEU 211 Cb 0.70 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 3iio h LEU 211 CO 0.05 -0.08 0.26 -0.33 -0.34 0.00 0.00 178.44 177.99 3iio h GLU 212 N 0.02 0.45 -0.18 1.25 5.08 -1.05 -1.95 114.58 118.20 3iio h GLU 212 Ca 0.15 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 3iio h GLU 212 Cb 0.23 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3iio h GLU 212 CO -0.31 0.29 -0.52 0.00 -1.00 0.00 0.00 179.01 177.48 3iio h ALA 213 N 1.77 0.31 -0.37 3.43 0.00 -1.05 -2.19 119.26 121.15 3iio h ALA 213 Ca 0.15 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3iio h ALA 213 Cb 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3iio h ALA 213 CO -0.04 0.50 0.03 0.74 0.00 0.00 0.00 179.25 180.48 3iio h PHE 214 N 0.36 0.58 -0.48 0.00 0.04 -1.17 -1.93 116.94 114.35 3iio h PHE 214 Ca -0.01 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 3iio h PHE 214 Cb 1.13 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 39.09 3iio h PHE 214 CO 0.09 0.55 0.06 -0.07 -0.60 0.00 0.00 178.31 178.34 3iio h LEU 215 N 0.55 0.71 -0.60 1.54 3.38 -1.25 -2.51 115.31 117.12 3iio h LEU 215 Ca 0.12 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3iio h LEU 215 Cb 0.30 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3iio h LEU 215 CO 0.01 0.73 0.00 0.00 0.09 0.00 0.00 178.44 179.27 3iio n ALA 216 N -2.47 1.67 0.00 1.53 0.00 -0.84 -4.86 120.51 115.54 3iio n ALA 216 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3iio n ALA 216 Cb 0.25 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 0.02 1.04 3.77 0.00 0.00 -0.95 -3.90 105.19 105.18 3iio n GLY 217 Ca 0.02 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 3.20 -0.56 4.61 0.00 -0.77 -4.76 121.76 121.47 3iio s ALA 218 Ca 0.00 1.20 0.22 0.00 0.00 0.00 0.00 51.96 53.38 3iio s ALA 218 Cb 0.00 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 3iio s ALA 218 CO 0.00 -0.83 0.88 -0.25 0.00 0.00 0.00 175.76 175.56 3iio n ASP 219 N -0.00 0.57 -3.57 0.00 8.00 0.74 -4.56 116.55 117.73 3iio n ASP 219 Ca 0.04 -0.33 -0.12 0.00 0.71 0.00 0.00 54.79 55.10 3iio n ASP 219 Cb 0.44 1.11 -0.04 0.00 -0.02 0.00 0.00 41.12 42.61 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 -3.23 -1.17 -0.07 2.24 0.00 -0.93 -2.42 121.76 116.18 3iio s ALA 220 Ca 0.02 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.21 3iio s ALA 220 Cb 0.15 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.95 3iio s ALA 220 CO 0.84 -0.64 -0.08 0.00 0.00 0.00 0.00 175.76 175.88 3iio s ALA 221 N -3.48 1.07 -0.11 0.00 0.00 -0.76 -0.31 121.76 118.16 3iio s ALA 221 Ca 0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 51.96 51.60 3iio s ALA 221 Cb 0.01 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 3iio s ALA 221 CO -0.10 -0.11 0.07 0.21 0.00 0.00 0.00 175.76 175.82 3iio s LYS 222 N 1.13 3.27 0.30 0.00 2.20 0.30 -1.55 119.74 125.38 3iio s LYS 222 Ca -0.07 -0.28 0.01 0.00 -0.36 0.00 0.00 55.97 55.27 3iio s LYS 222 Cb -0.14 -3.00 -0.02 0.00 -1.51 0.00 0.00 37.83 33.15 3iio s LYS 222 CO -0.01 0.70 0.33 0.00 -0.36 0.00 0.00 175.35 176.01 3iio s ALA 223 N -0.85 1.18 0.00 3.13 0.00 -0.95 -4.40 121.76 119.88 3iio s ALA 223 Ca 0.13 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.38 3iio s ALA 223 Cb -0.12 1.32 0.00 0.00 0.00 0.00 0.00 23.12 24.33 3iio s ALA 223 CO 0.03 -0.70 0.00 -0.40 0.00 0.00 0.00 175.76 174.68 3iio n ASP 224 N -1.13 0.00 0.28 0.00 5.75 -1.26 -0.53 116.55 119.66 3iio n ASP 224 Ca 0.03 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.94 3iio n ASP 224 Cb 0.63 0.00 0.79 0.00 -1.03 0.00 0.00 41.12 41.51 3iio n ASP 224 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3iio h SER 225 N 0.00 0.00 -0.93 -1.12 4.64 -1.98 -0.19 113.55 113.96 3iio h SER 225 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 3iio h SER 225 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 3iio h SER 225 CO 0.00 0.03 0.61 1.62 -0.87 0.00 0.00 176.83 178.23 3iio h VAL 226 N 0.00 1.16 0.19 0.95 3.04 -1.93 -1.46 116.25 118.20 3iio h VAL 226 Ca -0.00 -0.40 -0.30 0.00 -1.01 0.00 0.00 66.70 64.98 3iio h VAL 226 Cb 0.08 -0.12 0.02 0.00 -2.01 0.00 0.00 31.29 29.26 3iio h VAL 226 CO 0.00 0.21 -1.43 -0.26 -1.01 0.00 0.00 177.57 175.09 3iio h PHE 227 N 1.17 0.72 -0.45 3.17 0.04 -1.27 0.54 116.94 120.86 3iio h PHE 227 Ca 0.37 -0.53 -0.12 0.00 2.80 0.00 0.00 57.97 60.50 3iio h PHE 227 Cb 0.02 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 3iio h PHE 227 CO -0.00 1.55 -0.19 0.45 -0.60 0.00 0.00 178.31 179.53 3iio h HIS 228 N -0.05 1.05 -0.40 -0.55 3.86 -1.22 -2.47 115.15 115.38 3iio h HIS 228 Ca -0.27 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 58.68 3iio h HIS 228 Cb 1.97 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 30.20 3iio h HIS 228 CO 0.13 1.05 0.00 1.19 0.86 0.00 0.00 177.93 181.16 3iio n PHE 229 N -4.19 1.14 -2.47 2.45 0.99 -0.56 -0.94 117.46 113.89 3iio n PHE 229 Ca -0.01 -0.42 -0.21 0.00 -0.00 0.00 0.00 57.45 56.82 3iio n PHE 229 Cb 0.43 -0.26 -0.00 0.00 -1.00 0.00 0.00 39.48 38.65 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 0.53 -2.06 0.07 -1.08 1.74 -0.93 -4.88 116.66 110.05 3iio n ARG 230 Ca 0.17 0.99 -0.10 0.00 -0.77 0.00 0.00 57.85 58.14 3iio n ARG 230 Cb 0.73 -5.68 -0.13 0.00 -1.02 0.00 0.00 32.46 26.37 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 -0.15 0.07 -4.80 5.56 5.08 -1.17 -3.42 114.58 115.75 3iio h GLU 231 Ca -0.49 -0.13 -0.58 0.00 -1.00 0.00 0.00 59.36 57.16 3iio h GLU 231 Cb 1.36 0.05 -0.34 0.00 0.50 0.00 0.00 28.75 30.32 3iio h GLU 231 CO 0.58 1.04 -0.84 0.42 -1.00 0.00 0.00 179.01 179.21 3iio s ILE 232 N -2.69 1.47 0.03 3.13 1.01 -0.70 -5.03 121.20 118.42 3iio s ILE 232 Ca -0.01 -0.66 -0.23 0.00 0.00 0.00 0.00 60.65 59.75 3iio s ILE 232 Cb 0.09 -1.31 -0.06 0.00 0.01 0.00 0.00 42.46 41.19 3iio s ILE 232 CO 0.84 0.43 0.68 -0.62 0.00 0.00 0.00 174.94 176.27 3iio s ASP 233 N 0.66 7.11 0.10 3.58 2.15 -1.26 -4.38 116.67 124.63 3iio s ASP 233 Ca -0.14 1.33 -0.15 0.00 0.43 0.00 0.00 52.55 54.02 3iio s ASP 233 Cb -0.16 -2.42 -0.08 0.00 -0.30 0.00 0.00 42.92 39.96 3iio s ASP 233 CO 0.04 0.07 1.43 0.58 -0.17 0.00 0.00 175.17 177.12 3iio h VAL 234 N 4.06 1.30 -0.20 1.11 2.07 -1.95 -0.85 116.25 121.79 3iio h VAL 234 Ca -0.45 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 65.59 3iio h VAL 234 Cb 1.20 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 3iio h VAL 234 CO 0.70 0.47 0.02 0.03 0.02 0.00 0.00 177.57 178.81 3iio h ARG 235 N 0.47 0.34 -0.18 1.57 3.08 -1.95 -1.03 114.38 116.68 3iio h ARG 235 Ca 0.05 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.05 3iio h ARG 235 Cb 0.86 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.81 3iio h ARG 235 CO 0.07 0.51 -0.18 0.93 -1.07 0.00 0.00 179.97 180.22 3iio h GLU 236 N 0.12 -0.20 -0.44 0.04 5.08 -1.95 -0.93 114.58 116.30 3iio h GLU 236 Ca 0.06 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.53 3iio h GLU 236 Cb 0.34 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.54 3iio h GLU 236 CO 0.01 -0.14 -0.17 1.25 -1.00 0.00 0.00 179.01 178.96 3iio h LEU 237 N -0.21 -0.60 -1.20 1.33 5.85 -0.95 0.41 115.31 119.94 3iio h LEU 237 Ca 0.11 0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 3iio h LEU 237 Cb 0.38 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3iio h LEU 237 CO -0.30 -0.21 -0.14 0.11 -0.34 0.00 0.00 178.44 177.57 3iio h LYS 238 N -0.08 0.39 -0.34 1.25 1.57 -0.70 -0.37 116.57 118.29 3iio h LYS 238 Ca 0.21 -0.11 -0.16 0.00 -1.87 0.00 0.00 60.65 58.73 3iio h LYS 238 Cb 0.41 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3iio h LYS 238 CO -0.50 0.53 -0.41 0.93 -0.57 0.00 0.00 179.45 179.43 3iio h GLU 239 N 0.36 0.84 0.55 3.15 5.08 -0.56 -2.25 114.58 121.76 3iio h GLU 239 Ca 0.07 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 3iio h GLU 239 Cb 0.46 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3iio h GLU 239 CO 0.03 1.09 -0.45 -0.92 -1.00 0.00 0.00 179.01 177.76 3iio h TYR 240 N 0.68 -1.22 -0.44 4.33 3.20 -0.54 0.16 116.97 123.15 3iio h TYR 240 Ca 0.05 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.01 3iio h TYR 240 Cb 0.98 0.46 -0.08 0.00 1.54 0.00 0.00 36.73 39.63 3iio h TYR 240 CO 0.06 -0.63 -0.12 -0.07 -1.64 0.00 0.00 178.16 175.75 3iio h LEU 241 N -0.98 -0.45 -0.72 2.82 3.38 -1.10 -1.79 115.31 116.48 3iio h LEU 241 Ca -0.06 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3iio h LEU 241 Cb 0.83 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3iio h LEU 241 CO -0.00 -0.16 0.41 0.50 0.09 0.00 0.00 178.44 179.27 3iio h LYS 242 N -0.02 0.99 -0.87 1.13 1.63 -1.34 -0.91 116.57 117.17 3iio h LYS 242 Ca 0.21 -0.11 0.15 0.00 -0.85 0.00 0.00 60.65 60.06 3iio h LYS 242 Cb 0.34 -0.20 -0.07 0.00 -0.60 0.00 0.00 32.23 31.70 3iio h LYS 242 CO -0.46 0.72 0.57 -0.22 -3.45 0.00 0.00 179.45 176.61 3iio h LYS 243 N 0.98 0.60 -0.56 1.90 3.64 -0.02 -2.88 116.57 120.23 3iio h LYS 243 Ca 0.25 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3iio h LYS 243 Cb 0.01 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3iio h LYS 243 CO -0.04 0.40 0.01 0.72 -2.27 0.00 0.00 179.45 178.26 3iio n HIS 244 N -4.55 2.03 -0.37 1.91 8.25 -0.70 -4.93 115.22 116.87 3iio n HIS 244 Ca 0.17 -0.76 0.00 0.00 -0.26 0.00 0.00 57.72 56.87 3iio n HIS 244 Cb 0.51 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.51 0.77 3.70 -1.41 0.00 -1.06 -5.06 105.19 102.65 3iio n GLY 245 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.23 5.03 -1.24 1.61 1.01 -0.43 -4.95 120.40 119.19 3iio s VAL 246 Ca 0.00 1.41 -0.20 0.00 0.00 0.00 0.00 61.98 63.19 3iio s VAL 246 Cb 0.00 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.37 3iio s VAL 246 CO 0.00 0.21 1.77 0.21 0.00 0.00 0.00 175.10 177.29 3iio s ASN 247 N 0.89 6.29 0.21 3.32 2.47 -1.26 -3.79 114.94 123.08 3iio s ASN 247 Ca 0.36 -2.12 0.04 0.00 0.42 0.00 0.00 52.86 51.57 3iio s ASN 247 Cb -0.17 -2.58 -0.03 0.00 -1.45 0.00 0.00 41.25 37.01 3iio s ASN 247 CO 0.16 -1.74 0.31 0.68 -3.72 0.00 0.00 177.10 172.79 3iio s VAL 248 N 6.22 5.17 -0.13 -5.21 -7.23 -1.26 0.34 120.40 118.31 3iio s VAL 248 Ca 0.58 -0.94 -0.19 0.00 -1.81 0.00 0.00 61.98 59.61 3iio s VAL 248 Cb 0.02 -3.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.16 3iio s VAL 248 CO 0.08 -0.25 0.54 -0.60 -0.31 0.00 0.00 175.10 174.55 3iio s ARG 249 N -3.71 4.33 0.00 4.82 3.52 -1.26 -4.95 118.95 121.70 3iio s ARG 249 Ca 0.34 0.54 0.05 0.00 -0.13 0.00 0.00 55.73 56.53 3iio s ARG 249 Cb -0.10 -3.47 0.04 0.00 -1.56 0.00 0.00 34.95 29.87 3iio s ARG 249 CO 0.28 0.07 0.66 1.28 -0.81 0.00 0.00 175.30 176.78