#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3y s ARG 2 N 0.00 2.66 -0.17 1.96 3.52 -1.26 -4.35 118.95 121.30 3i3y s ARG 2 Ca 0.00 -0.61 -0.02 0.00 -0.13 0.00 0.00 55.73 54.97 3i3y s ARG 2 Cb 0.00 -2.53 -0.01 0.00 -1.56 0.00 0.00 34.95 30.84 3i3y s ARG 2 CO 0.00 0.64 -0.08 0.08 -0.81 0.00 0.00 175.30 175.14 3i3y s VAL 3 N -0.83 3.35 -0.15 7.11 1.01 -0.21 -1.20 120.40 129.48 3i3y s VAL 3 Ca 0.13 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 3i3y s VAL 3 Cb -0.11 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 3i3y s VAL 3 CO 0.02 0.48 0.00 -0.31 0.00 0.00 0.00 175.10 175.30 3i3y s TYR 4 N 0.79 3.12 -0.20 5.22 1.51 0.27 -0.64 117.35 127.42 3i3y s TYR 4 Ca -0.03 -0.08 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 3i3y s TYR 4 Cb -0.15 -1.96 0.04 0.00 -0.11 0.00 0.00 41.96 39.78 3i3y s TYR 4 CO 0.01 0.12 -0.13 0.08 -1.11 0.00 0.00 175.55 174.53 3i3y s VAL 5 N 0.12 1.83 -0.36 0.71 1.01 0.81 -0.45 120.40 124.08 3i3y s VAL 5 Ca 0.01 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 3i3y s VAL 5 Cb -0.13 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.43 3i3y s VAL 5 CO 0.02 0.25 0.21 0.42 0.00 0.00 0.00 175.10 176.00 3i3y s THR 6 N 1.32 4.74 0.00 3.92 -4.23 -1.09 0.87 115.64 121.18 3i3y s THR 6 Ca -0.01 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 3i3y s THR 6 Cb -0.16 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.11 3i3y s THR 6 CO -0.09 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 3i3y n GLY 7 N 5.03 2.48 3.69 3.99 0.00 -0.58 -4.33 105.19 115.46 3i3y n GLY 7 Ca -0.12 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 3i3y n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3y s ASN 8 N 2.00 4.79 -0.02 1.61 6.03 -1.26 -4.08 114.94 124.01 3i3y s ASN 8 Ca 0.00 -0.53 0.00 0.00 -1.03 0.00 0.00 52.86 51.30 3i3y s ASN 8 Cb 0.00 -0.99 0.02 0.00 -3.03 0.00 0.00 41.25 37.25 3i3y s ASN 8 CO 0.00 0.00 -0.00 -0.51 -2.03 0.00 0.00 177.10 174.56 3i3y s ILE 9 N -2.22 0.14 0.24 0.54 2.07 -1.26 -2.10 121.20 118.60 3i3y s ILE 9 Ca 0.31 0.05 0.05 0.00 -1.41 0.00 0.00 60.65 59.65 3i3y s ILE 9 Cb -0.07 -0.20 -0.02 0.00 0.13 0.00 0.00 42.46 42.30 3i3y s ILE 9 CO 0.21 0.11 0.19 0.35 -1.91 0.00 0.00 174.94 173.88 3i3y n THR 10 N 3.79 0.00 -4.04 4.00 -2.24 -0.76 -4.37 114.28 110.67 3i3y n THR 10 Ca -0.23 -1.71 -0.31 0.00 -2.27 0.00 0.00 64.05 59.53 3i3y n THR 10 Cb 0.53 0.83 -0.16 0.00 -2.10 0.00 0.00 70.33 69.43 3i3y n THR 10 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i3y s VAL 11 N -2.92 1.71 -0.10 2.28 0.11 -1.13 0.15 120.40 120.50 3i3y s VAL 11 Ca 0.27 -0.81 -0.17 0.00 -2.93 0.00 0.00 61.98 58.34 3i3y s VAL 11 Cb 0.01 -1.63 -0.05 0.00 -1.53 0.00 0.00 36.38 33.19 3i3y s VAL 11 CO 0.19 0.40 0.45 -1.81 -3.33 0.00 0.00 175.10 171.00 3i3y s ASP 12 N 1.41 6.68 -0.22 3.54 -0.00 0.12 -2.36 116.67 125.84 3i3y s ASP 12 Ca 0.03 0.81 -0.01 0.00 -0.00 0.00 0.00 52.55 53.38 3i3y s ASP 12 Cb -0.14 -2.27 0.02 0.00 -0.00 0.00 0.00 42.92 40.53 3i3y s ASP 12 CO -0.11 0.06 -0.10 -1.61 -0.00 0.00 0.00 175.17 173.41 3i3y s GLU 13 N 0.34 3.02 -0.26 8.23 2.02 0.78 -2.42 118.70 130.40 3i3y s GLU 13 Ca 0.25 -0.84 -0.15 0.00 0.02 0.00 0.00 54.97 54.25 3i3y s GLU 13 Cb -0.15 -2.85 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 3i3y s GLU 13 CO 0.10 -0.28 0.36 0.99 0.02 0.00 0.00 175.26 176.45 3i3y s THR 14 N 1.35 5.19 -0.09 3.63 2.01 -0.90 0.17 115.64 127.00 3i3y s THR 14 Ca 0.03 0.55 0.03 0.00 0.31 0.00 0.00 61.69 62.61 3i3y s THR 14 Cb -0.15 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.68 3i3y s THR 14 CO -0.07 0.17 -0.19 0.26 -0.69 0.00 0.00 174.62 174.10 3i3y s TRP 15 N 1.97 2.15 -0.24 4.92 0.52 0.80 -0.14 118.94 128.92 3i3y s TRP 15 Ca 0.15 -0.88 -0.10 0.00 0.02 0.00 0.00 56.10 55.29 3i3y s TRP 15 Cb -0.16 -1.48 -0.05 0.00 -1.15 0.00 0.00 33.47 30.64 3i3y s TRP 15 CO 0.10 -0.38 0.14 0.45 0.02 0.00 0.00 176.95 177.28 3i3y s SER 16 N 0.51 5.91 0.14 2.95 0.15 0.18 -1.67 113.70 121.87 3i3y s SER 16 Ca -0.16 0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.47 3i3y s SER 16 Cb -0.17 -2.07 -0.02 0.00 -1.71 0.00 0.00 66.02 62.05 3i3y s SER 16 CO 0.06 0.03 0.16 0.27 1.20 0.00 0.00 173.24 174.96 3i3y s ILE 17 N 1.23 0.09 0.18 6.45 -4.36 -1.26 -0.05 121.20 123.49 3i3y s ILE 17 Ca 0.07 -1.64 -0.13 0.00 -0.26 0.00 0.00 60.65 58.68 3i3y s ILE 17 Cb -0.14 -1.89 0.07 0.00 1.25 0.00 0.00 42.46 41.74 3i3y s ILE 17 CO 0.06 -0.43 1.80 1.55 0.24 0.00 0.00 174.94 178.16 3i3y h PRO 18 N 2.73 0.55 0.00 0.37 0.13 -1.87 -3.38 132.00 130.53 3i3y h PRO 18 Ca -0.33 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3i3y h PRO 18 Cb 1.21 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3i3y h PRO 18 CO 0.54 0.36 0.00 -0.40 -0.23 0.00 0.00 178.00 178.28 3i3y n ASP 19 N -4.83 0.00 -4.72 1.44 5.75 -1.26 -4.04 116.55 108.89 3i3y n ASP 19 Ca 0.04 0.00 -0.63 0.00 -0.01 0.00 0.00 54.79 54.19 3i3y n ASP 19 Cb 0.10 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.10 3i3y n ASP 19 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3i3y n ILE 20 N -0.19 0.15 -0.50 2.12 5.41 -1.26 -4.91 119.36 120.17 3i3y n ILE 20 Ca 0.00 -0.03 -0.29 0.00 1.00 0.00 0.00 62.75 63.43 3i3y n ILE 20 Cb 0.00 -0.87 0.24 0.00 -0.71 0.00 0.00 39.64 38.30 3i3y n ILE 20 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3i3y n PRO 21 N 4.82 -2.53 -3.63 0.38 -0.04 -1.26 -5.02 135.00 127.73 3i3y n PRO 21 Ca 0.30 -0.72 -0.29 0.00 -0.04 0.00 0.00 63.50 62.74 3i3y n PRO 21 Cb 0.03 -1.98 -0.13 0.00 -0.04 0.00 0.00 33.50 31.39 3i3y n PRO 21 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3i3y s LYS 22 N -4.11 1.03 0.00 0.54 1.02 -1.26 -5.04 119.74 111.92 3i3y s LYS 22 Ca 0.64 -1.76 0.00 0.00 0.02 0.00 0.00 55.97 54.87 3i3y s LYS 22 Cb -0.20 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 3i3y s LYS 22 CO 0.65 -1.17 0.00 1.63 -0.92 0.00 0.00 175.35 175.53 3i3y n LYS 23 N 3.74 0.00 0.00 1.68 5.02 -1.26 -3.63 118.16 123.71 3i3y n LYS 23 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3i3y n LYS 23 Cb 0.35 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 35.18 3i3y n LYS 23 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i3y n GLY 24 N 1.64 2.98 3.76 0.72 0.00 -1.26 -5.04 105.19 107.99 3i3y n GLY 24 Ca 0.00 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 3i3y n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3y s ALA 25 N -1.05 3.51 -0.29 4.61 0.00 -1.24 -5.01 121.76 122.29 3i3y s ALA 25 Ca 0.00 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.22 3i3y s ALA 25 Cb 0.00 -3.48 0.08 0.00 0.00 0.00 0.00 23.12 19.72 3i3y s ALA 25 CO 0.00 -0.61 -0.02 0.45 0.00 0.00 0.00 175.76 175.58 3i3y s SER 26 N -0.31 4.48 0.53 0.00 0.15 -1.26 -4.72 113.70 112.57 3i3y s SER 26 Ca 0.51 -1.72 0.06 0.00 0.70 0.00 0.00 55.95 55.50 3i3y s SER 26 Cb -0.39 -1.49 0.03 0.00 -1.71 0.00 0.00 66.02 62.47 3i3y s SER 26 CO 0.49 -0.29 0.40 0.27 1.20 0.00 0.00 173.24 175.31 3i3y s ILE 27 N 1.09 1.72 0.18 6.45 -4.36 -1.26 -5.14 121.20 119.88 3i3y s ILE 27 Ca 0.01 -1.49 0.08 0.00 -0.26 0.00 0.00 60.65 58.99 3i3y s ILE 27 Cb -0.19 -2.21 -0.04 0.00 1.25 0.00 0.00 42.46 41.27 3i3y s ILE 27 CO -0.08 0.00 -0.01 -1.00 0.24 0.00 0.00 174.94 174.09 3i3y s HIS 28 N -2.75 2.81 0.28 1.37 3.76 -1.26 -5.13 115.29 114.37 3i3y s HIS 28 Ca 0.35 -0.15 -0.20 0.00 -0.15 0.00 0.00 55.06 54.91 3i3y s HIS 28 Cb -0.02 -1.35 0.02 0.00 1.11 0.00 0.00 32.58 32.33 3i3y s HIS 28 CO 0.22 0.53 0.69 0.20 -0.85 0.00 0.00 174.74 175.52 3i3y s GLY 29 N -3.00 0.02 -0.07 -2.22 0.00 -1.26 -4.61 107.32 96.18 3i3y s GLY 29 Ca 0.28 -0.41 0.04 0.00 0.00 0.00 0.00 44.72 44.63 3i3y s GLY 29 CO 0.18 -0.17 -0.20 0.14 0.00 0.00 0.00 173.10 173.05 3i3y s VAL 30 N -3.89 2.51 -0.90 1.40 1.01 0.93 -4.96 120.40 116.51 3i3y s VAL 30 Ca 0.13 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 3i3y s VAL 30 Cb -0.05 -1.96 0.12 0.00 0.00 0.00 0.00 36.38 34.48 3i3y s VAL 30 CO 0.07 0.57 1.13 -0.75 0.00 0.00 0.00 175.10 176.12 3i3y s LYS 31 N -0.22 3.54 0.14 2.72 2.20 -1.26 0.50 119.74 127.35 3i3y s LYS 31 Ca -0.01 -1.61 -0.31 0.00 -0.36 0.00 0.00 55.97 53.69 3i3y s LYS 31 Cb -0.13 -4.86 -0.07 0.00 -1.51 0.00 0.00 37.83 31.26 3i3y s LYS 31 CO 0.03 -1.80 1.56 0.28 -0.36 0.00 0.00 175.35 175.05 3i3y h VAL 32 N 5.92 0.04 -1.81 4.02 2.07 -0.88 -3.47 116.25 122.13 3i3y h VAL 32 Ca 0.10 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.94 3i3y h VAL 32 Cb 1.03 0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.75 3i3y h VAL 32 CO 1.14 0.00 0.83 -0.94 0.02 0.00 0.00 177.57 178.61 3i3y s SER 33 N -5.04 -0.03 -0.00 0.57 1.04 -1.16 -5.01 113.70 104.07 3i3y s SER 33 Ca -0.15 -0.21 0.07 0.00 0.48 0.00 0.00 55.95 56.14 3i3y s SER 33 Cb 0.10 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.39 3i3y s SER 33 CO 0.63 -0.37 -0.21 -1.10 0.98 0.00 0.00 173.24 173.17 3i3y s GLN 34 N -2.28 1.62 0.04 4.02 -0.21 -1.26 -2.13 119.66 119.46 3i3y s GLN 34 Ca 0.20 -0.80 -0.13 0.00 0.02 0.00 0.00 55.36 54.66 3i3y s GLN 34 Cb 0.02 -1.61 0.02 0.00 1.00 0.00 0.00 33.01 32.44 3i3y s GLN 34 CO -0.02 0.43 0.27 -0.51 -2.12 0.00 0.00 175.29 173.35 3i3y s ASP 35 N -0.67 -0.08 -0.18 5.90 1.11 -1.02 -4.99 116.67 116.74 3i3y s ASP 35 Ca 0.08 -0.22 -0.29 0.00 0.18 0.00 0.00 52.55 52.29 3i3y s ASP 35 Cb -0.08 0.33 -0.01 0.00 1.07 0.00 0.00 42.92 44.23 3i3y s ASP 35 CO -0.00 -0.59 1.22 -0.63 1.18 0.00 0.00 175.17 176.36 3i3y s ILE 36 N -2.47 4.35 0.00 0.77 1.01 -1.26 0.11 121.20 123.71 3i3y s ILE 36 Ca -0.06 1.63 0.00 0.00 0.00 0.00 0.00 60.65 62.22 3i3y s ILE 36 Cb -0.01 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.40 3i3y s ILE 36 CO -0.03 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.37 3i3y n GLY 37 N 3.58 4.83 0.13 6.18 0.00 0.12 -3.62 105.19 116.41 3i3y n GLY 37 Ca 0.14 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.08 3i3y n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3y n GLY 38 N 5.00 0.19 0.38 -0.02 0.00 -1.26 -1.82 105.19 107.65 3i3y n GLY 38 Ca 0.00 -1.08 0.13 0.00 0.00 0.00 0.00 46.02 45.08 3i3y n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3y h LYS 39 N 0.00 0.61 -0.32 1.61 1.57 -1.95 0.46 116.57 118.55 3i3y h LYS 39 Ca 0.00 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 3i3y h LYS 39 Cb 0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3i3y h LYS 39 CO 0.00 0.40 -0.12 0.78 -0.57 0.00 0.00 179.45 179.94 3i3y h GLY 40 N 0.62 0.70 0.74 3.86 0.00 -1.90 -1.31 103.07 105.79 3i3y h GLY 40 Ca 0.45 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 3i3y h GLY 40 CO -0.20 0.55 -0.07 0.00 0.00 0.00 0.00 176.54 176.82 3i3y h ALA 41 N 0.78 0.21 -0.51 3.60 0.00 -0.62 -0.88 119.26 121.83 3i3y h ALA 41 Ca 0.07 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3i3y h ALA 41 Cb 0.63 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3i3y h ALA 41 CO 0.04 0.00 0.33 -0.91 0.00 0.00 0.00 179.25 178.72 3i3y h ASN 42 N -0.03 0.57 -0.38 0.00 2.35 -0.15 0.89 115.58 118.83 3i3y h ASN 42 Ca 0.03 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.61 3i3y h ASN 42 Cb 0.54 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 3i3y h ASN 42 CO 0.02 0.41 -0.39 1.56 -1.65 0.00 0.00 177.43 177.38 3i3y h GLN 43 N 0.68 0.94 -0.43 0.81 4.20 -1.25 -2.62 115.11 117.44 3i3y h GLN 43 Ca 0.19 -0.50 -0.07 0.00 0.06 0.00 0.00 58.65 58.33 3i3y h GLN 43 Cb -0.07 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3i3y h GLN 43 CO -0.05 1.16 -0.02 0.00 -0.67 0.00 0.00 178.83 179.25 3i3y h ALA 44 N 0.77 0.58 0.03 3.87 0.00 -0.88 -1.96 119.26 121.67 3i3y h ALA 44 Ca 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3i3y h ALA 44 Cb 0.99 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3i3y h ALA 44 CO 0.10 0.38 -0.02 0.82 0.00 0.00 0.00 179.25 180.53 3i3y h ILE 45 N 0.60 1.10 -0.84 0.00 2.04 -0.83 -1.18 117.51 118.40 3i3y h ILE 45 Ca 0.12 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.58 3i3y h ILE 45 Cb 0.52 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 3i3y h ILE 45 CO 0.03 0.11 0.55 0.40 0.00 0.00 0.00 178.15 179.24 3i3y h ILE 46 N -0.23 1.15 -0.16 -0.67 2.04 -1.51 -1.34 117.51 116.78 3i3y h ILE 46 Ca -0.00 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 3i3y h ILE 46 Cb 0.22 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 3i3y h ILE 46 CO 0.01 0.19 0.08 0.25 0.00 0.00 0.00 178.15 178.68 3i3y h LEU 47 N 1.05 0.20 -1.15 1.44 5.85 -1.04 -2.27 115.31 119.40 3i3y h LEU 47 Ca 0.33 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 3i3y h LEU 47 Cb 0.00 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3i3y h LEU 47 CO -0.09 0.24 -0.03 0.77 -0.34 0.00 0.00 178.44 178.99 3i3y h SER 48 N 0.15 0.53 0.36 1.25 4.64 -0.61 -2.17 113.55 117.70 3i3y h SER 48 Ca 0.06 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 3i3y h SER 48 Cb 0.09 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 3i3y h SER 48 CO -0.01 0.62 -0.28 0.03 -0.87 0.00 0.00 176.83 176.32 3i3y h ARG 49 N 0.53 0.00 0.00 4.77 3.08 -0.98 -0.29 114.38 121.49 3i3y h ARG 49 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3i3y h ARG 49 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3i3y h ARG 49 CO 0.02 0.28 0.00 0.00 -1.07 0.00 0.00 179.97 179.20 3i3y n GLY 51 N 0.24 1.09 3.80 0.00 0.00 -0.12 -4.88 105.19 105.32 3i3y n GLY 51 Ca 0.03 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 3i3y n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i3y s ILE 52 N -2.00 5.27 -0.33 -0.61 1.09 -1.14 -5.01 121.20 118.46 3i3y s ILE 52 Ca 0.00 0.56 -0.28 0.00 -1.10 0.00 0.00 60.65 59.83 3i3y s ILE 52 Cb 0.00 -3.60 -0.02 0.00 -1.06 0.00 0.00 42.46 37.78 3i3y s ILE 52 CO 0.00 0.51 1.81 -0.70 -0.10 0.00 0.00 174.94 176.46 3i3y s GLU 53 N -0.40 3.31 0.09 2.79 2.12 -1.26 -4.20 118.70 121.14 3i3y s GLU 53 Ca 0.18 1.43 0.10 0.00 0.36 0.00 0.00 54.97 57.04 3i3y s GLU 53 Cb -0.14 -4.21 -0.03 0.00 0.26 0.00 0.00 34.13 30.01 3i3y s GLU 53 CO 0.07 -1.89 -0.26 0.99 -0.54 0.00 0.00 175.26 173.63 3i3y s THR 54 N 6.99 2.14 -0.09 -1.70 2.01 -1.26 -1.05 115.64 122.68 3i3y s THR 54 Ca 0.80 -1.55 -0.00 0.00 0.31 0.00 0.00 61.69 61.25 3i3y s THR 54 Cb -0.22 -1.87 0.02 0.00 0.01 0.00 0.00 72.50 70.44 3i3y s THR 54 CO 0.33 0.21 -0.06 -0.60 -0.69 0.00 0.00 174.62 173.82 3i3y s ARG 55 N -1.63 1.21 -0.21 4.92 3.52 0.19 -4.80 118.95 122.14 3i3y s ARG 55 Ca 0.12 -0.15 -0.09 0.00 -0.13 0.00 0.00 55.73 55.48 3i3y s ARG 55 Cb -0.10 -1.31 -0.04 0.00 -1.56 0.00 0.00 34.95 31.93 3i3y s ARG 55 CO 0.04 -0.23 0.10 -1.17 -0.81 0.00 0.00 175.30 173.24 3i3y s LEU 56 N 1.59 3.93 -0.40 -0.88 2.96 -1.26 -0.13 118.68 124.48 3i3y s LEU 56 Ca 0.01 0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.98 3i3y s LEU 56 Cb -0.13 -2.02 0.11 0.00 0.50 0.00 0.00 46.19 44.65 3i3y s LEU 56 CO -0.05 0.12 0.19 -0.63 -1.32 0.00 0.00 176.35 174.66 3i3y s ILE 57 N 0.69 3.23 -0.05 6.68 1.01 0.25 -0.62 121.20 132.39 3i3y s ILE 57 Ca 0.05 -2.07 -0.15 0.00 0.00 0.00 0.00 60.65 58.49 3i3y s ILE 57 Cb -0.13 -3.22 0.03 0.00 0.01 0.00 0.00 42.46 39.15 3i3y s ILE 57 CO 0.01 -0.68 0.34 0.00 0.00 0.00 0.00 174.94 174.61 3i3y s ALA 58 N 1.13 -0.85 0.18 9.38 0.00 -0.72 -1.53 121.76 129.36 3i3y s ALA 58 Ca 0.08 0.55 -0.24 0.00 0.00 0.00 0.00 51.96 52.35 3i3y s ALA 58 Cb -0.23 -0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.70 3i3y s ALA 58 CO -0.04 -0.24 0.76 0.00 0.00 0.00 0.00 175.76 176.24 3i3y s ALA 59 N -0.90 3.44 0.06 0.00 0.00 -1.26 -4.24 121.76 118.86 3i3y s ALA 59 Ca -0.10 0.32 0.07 0.00 0.00 0.00 0.00 51.96 52.25 3i3y s ALA 59 Cb -0.04 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 3i3y s ALA 59 CO 0.03 0.30 -0.18 -0.08 0.00 0.00 0.00 175.76 175.83 3i3y s THR 60 N -1.23 1.47 0.64 0.00 -1.32 -1.26 -4.56 115.64 109.37 3i3y s THR 60 Ca 0.37 -1.26 -0.00 0.00 -1.21 0.00 0.00 61.69 59.59 3i3y s THR 60 Cb -0.22 -1.32 0.13 0.00 -1.51 0.00 0.00 72.50 69.58 3i3y s THR 60 CO 0.25 0.02 0.88 0.61 -2.21 0.00 0.00 174.62 174.17 3i3y n GLY 61 N 1.57 0.63 1.71 6.08 0.00 -1.26 -1.42 105.19 112.51 3i3y n GLY 61 Ca -0.19 -2.02 -0.16 0.00 0.00 0.00 0.00 46.02 43.66 3i3y n GLY 61 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i3y n ASN 62 N -2.93 3.53 -2.33 1.61 2.04 0.15 -4.07 115.26 113.26 3i3y n ASN 62 Ca 0.14 -3.73 -0.05 0.00 -0.44 0.00 0.00 54.58 50.51 3i3y n ASN 62 Cb 0.52 -0.73 -0.01 0.00 -2.53 0.00 0.00 39.78 37.03 3i3y n ASN 62 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 3i3y n ASP 63 N -1.10 2.02 -0.32 0.53 2.03 -1.26 -4.95 116.55 113.50 3i3y n ASP 63 Ca 0.46 -1.35 0.16 0.00 0.52 0.00 0.00 54.79 54.59 3i3y n ASP 63 Cb 1.24 0.07 0.33 0.00 -0.72 0.00 0.00 41.12 42.04 3i3y n ASP 63 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3i3y h SER 64 N 0.20 -0.23 -0.35 1.67 0.02 -2.00 -0.44 113.55 112.42 3i3y h SER 64 Ca -0.06 0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 3i3y h SER 64 Cb 0.20 0.39 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 3i3y h SER 64 CO 0.10 -0.31 -0.11 0.78 -1.14 0.00 0.00 176.83 176.16 3i3y h ASN 65 N 0.06 0.70 0.11 3.07 2.35 -1.95 -2.39 115.58 117.53 3i3y h ASN 65 Ca 0.62 -0.38 0.02 0.00 -0.55 0.00 0.00 56.30 56.01 3i3y h ASN 65 Cb 1.33 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 39.47 3i3y h ASN 65 CO -0.82 0.92 -0.28 1.23 -1.65 0.00 0.00 177.43 176.83 3i3y h GLY 66 N 0.48 -0.51 1.64 2.83 0.00 -1.22 0.19 103.07 106.47 3i3y h GLY 66 Ca 0.09 0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.67 3i3y h GLY 66 CO 0.04 -0.23 -0.15 0.00 0.00 0.00 0.00 176.54 176.20 3i3y h ALA 67 N 0.23 1.27 -0.31 3.60 0.00 -1.58 -1.57 119.26 120.91 3i3y h ALA 67 Ca 0.03 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3i3y h ALA 67 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3i3y h ALA 67 CO -0.16 0.48 0.00 2.35 0.00 0.00 0.00 179.25 181.92 3i3y h TRP 68 N 0.40 0.59 0.22 0.00 7.01 -0.95 -0.63 115.95 122.58 3i3y h TRP 68 Ca 0.07 -0.10 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 3i3y h TRP 68 Cb 0.50 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 3i3y h TRP 68 CO 0.01 0.67 -0.16 0.82 -2.79 0.00 0.00 178.44 176.99 3i3y h ILE 69 N 0.34 0.65 -0.62 2.65 2.04 -0.37 0.40 117.51 122.61 3i3y h ILE 69 Ca 0.09 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.06 3i3y h ILE 69 Cb 0.43 0.65 -0.08 0.00 -0.74 0.00 0.00 36.82 37.08 3i3y h ILE 69 CO 0.01 0.00 0.18 0.03 0.00 0.00 0.00 178.15 178.37 3i3y h ARG 70 N -0.38 0.31 -0.59 2.37 3.08 -1.20 0.23 114.38 118.20 3i3y h ARG 70 Ca -0.01 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3i3y h ARG 70 Cb 0.34 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3i3y h ARG 70 CO -0.00 0.21 0.23 0.37 -1.07 0.00 0.00 179.97 179.71 3i3y h GLN 71 N 0.32 0.88 0.00 0.04 5.75 -0.78 -2.09 115.11 119.24 3i3y h GLN 71 Ca 0.32 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 3i3y h GLN 71 Cb 0.46 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.87 3i3y h GLN 71 CO -0.38 0.76 -0.00 1.96 -2.65 0.00 0.00 178.83 178.52 3i3y h GLN 72 N 0.82 -0.00 -0.69 1.69 1.08 0.16 -2.84 115.11 115.32 3i3y h GLN 72 Ca 0.20 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.57 3i3y h GLN 72 Cb 0.20 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.60 3i3y h GLN 72 CO -0.02 0.35 0.48 0.82 -0.95 0.00 0.00 178.83 179.52 3i3y h ILE 73 N -0.36 0.71 -0.00 2.54 1.08 -0.54 -0.65 117.51 120.30 3i3y h ILE 73 Ca -0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 3i3y h ILE 73 Cb 0.36 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.65 3i3y h ILE 73 CO 0.00 0.03 0.18 0.50 -0.69 0.00 0.00 178.15 178.17 3i3y h LYS 74 N 0.15 0.00 -0.02 2.37 3.64 -1.11 -0.06 116.57 121.54 3i3y h LYS 74 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3i3y h LYS 74 Cb 1.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3i3y h LYS 74 CO -0.05 0.00 -0.04 0.09 -2.27 0.00 0.00 179.45 177.18 3i3y n ASN 75 N -2.99 1.82 -4.76 4.20 3.02 -0.25 -4.90 115.26 111.41 3i3y n ASN 75 Ca -0.02 -1.56 -0.31 0.00 -0.03 0.00 0.00 54.58 52.66 3i3y n ASN 75 Cb 0.24 0.03 -0.07 0.00 -0.61 0.00 0.00 39.78 39.37 3i3y n ASN 75 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3i3y s GLU 76 N -2.07 2.83 0.00 3.52 0.41 -0.04 -4.97 118.70 118.39 3i3y s GLU 76 Ca 0.34 -0.70 0.02 0.00 -0.41 0.00 0.00 54.97 54.21 3i3y s GLU 76 Cb 0.20 -2.70 0.10 0.00 -1.78 0.00 0.00 34.13 29.95 3i3y s GLU 76 CO 0.35 0.57 0.63 -0.35 -0.49 0.00 0.00 175.26 175.96 3i3y n PRO 77 N 0.51 0.54 0.00 0.39 -0.04 -1.26 -5.03 135.00 130.11 3i3y n PRO 77 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 3i3y n PRO 77 Cb 0.52 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 3i3y n PRO 77 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3i3y n LEU 78 N -0.55 0.00 -3.63 1.53 7.94 -1.26 -4.81 117.00 116.22 3i3y n LEU 78 Ca 0.01 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.89 3i3y n LEU 78 Cb 0.01 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 3i3y n LEU 78 CO 0.01 0.00 0.68 -0.22 -1.11 0.00 0.00 177.39 176.75 3i3y s LEU 80 N 0.00 -0.50 0.05 -1.96 2.96 -1.26 -4.93 118.68 113.04 3i3y s LEU 80 Ca 0.00 0.78 0.04 0.00 -0.22 0.00 0.00 54.13 54.74 3i3y s LEU 80 Cb 0.00 1.71 -0.02 0.00 0.50 0.00 0.00 46.19 48.38 3i3y s LEU 80 CO 0.00 -0.12 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.02 3i3y s LEU 81 N 1.42 2.20 1.02 -0.68 1.43 0.20 -4.39 118.68 119.88 3i3y s LEU 81 Ca -0.09 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 3i3y s LEU 81 Cb -0.04 -0.49 0.20 0.00 0.03 0.00 0.00 46.19 45.89 3i3y s LEU 81 CO -0.15 -0.03 1.14 -2.16 0.23 0.00 0.00 176.35 175.38 3i3y s PRO 82 N -1.30 0.22 0.05 1.29 0.04 -1.26 -1.75 135.00 132.30 3i3y s PRO 82 Ca -0.01 0.14 -0.23 0.00 0.04 0.00 0.00 61.00 60.94 3i3y s PRO 82 Cb -0.08 -1.75 -0.14 0.00 0.04 0.00 0.00 34.50 32.57 3i3y s PRO 82 CO 0.01 -2.79 1.50 0.22 0.04 0.00 0.00 177.00 175.99 3i3y h ASP 83 N -1.92 0.14 0.00 6.66 1.82 -1.98 -3.46 116.42 117.67 3i3y h ASP 83 Ca -0.49 -0.27 0.00 0.00 -0.39 0.00 0.00 57.03 55.88 3i3y h ASP 83 Cb 1.31 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.28 3i3y h ASP 83 CO 0.50 0.37 0.00 0.61 -1.61 0.00 0.00 179.24 179.12 3i3y n GLY 84 N -0.38 0.71 3.35 -0.78 0.00 -1.26 -5.13 105.19 101.70 3i3y n GLY 84 Ca -0.06 -1.39 -0.19 0.00 0.00 0.00 0.00 46.02 44.38 3i3y n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i3y s HIS 85 N 0.00 1.62 0.00 1.61 3.76 -1.26 -4.79 115.29 116.23 3i3y s HIS 85 Ca 0.00 -1.29 0.00 0.00 -0.15 0.00 0.00 55.06 53.62 3i3y s HIS 85 Cb 0.00 -0.92 0.00 0.00 1.11 0.00 0.00 32.58 32.77 3i3y s HIS 85 CO 0.00 -0.43 0.00 1.19 -0.85 0.00 0.00 174.74 174.65 3i3y n PHE 86 N -0.59 0.00 -0.02 1.40 3.01 -0.51 -4.97 117.46 115.79 3i3y n PHE 86 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3i3y n PHE 86 Cb 0.65 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.12 3i3y n PHE 86 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3i3y n ASN 87 N 0.00 0.00 -4.20 4.37 2.85 -1.26 -4.40 115.26 112.62 3i3y n ASN 87 Ca 0.00 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.09 3i3y n ASN 87 Cb 0.00 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.91 3i3y n ASN 87 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 3i3y s GLN 88 N 1.45 2.36 0.18 1.20 2.00 -1.26 -0.68 119.66 124.91 3i3y s GLN 88 Ca 0.00 -1.56 -0.20 0.00 -2.00 0.00 0.00 55.36 51.60 3i3y s GLN 88 Cb 0.00 -3.60 -0.13 0.00 0.80 0.00 0.00 33.01 30.08 3i3y s GLN 88 CO 0.00 -0.94 0.33 -2.39 -0.50 0.00 0.00 175.29 171.79 3i3y n HIS 89 N 4.75 -0.63 -2.48 1.67 -0.00 -1.26 -3.98 115.22 113.29 3i3y n HIS 89 Ca -0.08 0.69 -0.40 0.00 -0.00 0.00 0.00 57.72 57.93 3i3y n HIS 89 Cb 0.42 -1.47 -0.04 0.00 -0.00 0.00 0.00 29.99 28.91 3i3y n HIS 89 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 3i3y s SER 90 N -0.76 7.17 0.19 4.39 0.01 -1.26 -4.86 113.70 118.59 3i3y s SER 90 Ca 0.48 2.24 -0.23 0.00 1.31 0.00 0.00 55.95 59.75 3i3y s SER 90 Cb -0.66 -2.62 0.05 0.00 0.21 0.00 0.00 66.02 63.00 3i3y s SER 90 CO 0.44 -0.21 0.73 1.51 0.41 0.00 0.00 173.24 176.12 3i3y s ASP 91 N -0.99 -0.37 -0.01 2.44 3.84 -1.12 -2.83 116.67 117.63 3i3y s ASP 91 Ca 0.47 -0.31 0.02 0.00 -0.00 0.00 0.00 52.55 52.72 3i3y s ASP 91 Cb -0.30 0.62 -0.00 0.00 -1.38 0.00 0.00 42.92 41.85 3i3y s ASP 91 CO 0.39 -1.09 -0.06 0.28 -0.00 0.00 0.00 175.17 174.69 3i3y s THR 92 N -3.70 0.48 -0.38 2.11 -1.32 -0.99 -0.88 115.64 110.95 3i3y s THR 92 Ca 0.07 -0.24 -0.12 0.00 -1.21 0.00 0.00 61.69 60.19 3i3y s THR 92 Cb -0.03 -0.42 0.02 0.00 -1.51 0.00 0.00 72.50 70.56 3i3y s THR 92 CO -0.02 0.15 0.23 -0.55 -2.21 0.00 0.00 174.62 172.22 3i3y s SER 93 N -0.02 5.85 -0.50 8.08 0.15 0.57 -0.16 113.70 127.68 3i3y s SER 93 Ca 0.01 -0.91 -0.19 0.00 0.70 0.00 0.00 55.95 55.56 3i3y s SER 93 Cb -0.04 -2.07 0.06 0.00 -1.71 0.00 0.00 66.02 62.26 3i3y s SER 93 CO -0.00 -0.38 0.59 -0.63 1.20 0.00 0.00 173.24 174.01 3i3y s ILE 94 N 1.60 4.92 -0.36 6.45 1.09 0.46 -2.01 121.20 133.35 3i3y s ILE 94 Ca 0.03 -0.54 -0.06 0.00 -1.10 0.00 0.00 60.65 58.97 3i3y s ILE 94 Cb -0.19 -4.27 0.06 0.00 -1.06 0.00 0.00 42.46 37.00 3i3y s ILE 94 CO 0.08 -0.76 0.15 -0.51 -0.10 0.00 0.00 174.94 173.80 3i3y s ILE 95 N 2.49 3.79 0.00 2.92 2.07 0.15 -0.14 121.20 132.49 3i3y s ILE 95 Ca 0.14 -1.32 0.00 0.00 -1.41 0.00 0.00 60.65 58.06 3i3y s ILE 95 Cb -0.20 -3.24 0.00 0.00 0.13 0.00 0.00 42.46 39.15 3i3y s ILE 95 CO 0.11 -0.32 0.00 0.00 -1.91 0.00 0.00 174.94 172.83 3i3y n LEU 96 N 4.80 0.00 0.00 8.50 -0.00 -0.67 -1.71 117.00 127.92 3i3y n LEU 96 Ca -0.11 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.02 3i3y n LEU 96 Cb 0.44 0.00 0.68 0.00 -0.00 0.00 0.00 43.42 44.54 3i3y n LEU 96 CO 0.33 -0.08 0.88 0.00 -0.00 0.00 0.00 177.39 178.53 3i3y n ALA 99 N -3.00 2.35 -1.70 1.47 0.00 -1.26 -4.37 120.51 114.00 3i3y n ALA 99 Ca 0.00 -0.14 -0.61 0.00 0.00 0.00 0.00 53.44 52.69 3i3y n ALA 99 Cb 0.00 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.99 3i3y n ALA 99 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i3y n ASP 100 N -1.04 1.78 -4.09 0.00 10.43 -1.26 -5.16 116.55 117.21 3i3y n ASP 100 Ca 0.17 1.12 -0.23 0.00 2.57 0.00 0.00 54.79 58.42 3i3y n ASP 100 Cb 0.10 -1.04 -0.20 0.00 1.84 0.00 0.00 41.12 41.82 3i3y n ASP 100 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i3y n GLY 101 N 3.84 -0.45 0.00 0.44 0.00 -1.26 -5.06 105.19 102.70 3i3y n GLY 101 Ca 0.27 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3i3y n GLY 101 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i3y n ASN 103 N 5.75 0.00 -3.71 1.61 2.85 -1.25 -5.07 115.26 115.44 3i3y n ASN 103 Ca 0.62 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.88 3i3y n ASN 103 Cb 0.11 0.00 -0.18 0.00 1.24 0.00 0.00 39.78 40.95 3i3y n ASN 103 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i3y s ALA 104 N -0.58 0.36 -0.03 5.20 0.00 -0.69 -4.99 121.76 121.02 3i3y s ALA 104 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.14 3i3y s ALA 104 Cb 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3i3y s ALA 104 CO 0.00 -0.44 -0.24 0.42 0.00 0.00 0.00 175.76 175.50 3i3y s ILE 105 N 1.99 2.24 -0.11 0.00 1.09 -1.26 0.32 121.20 125.47 3i3y s ILE 105 Ca 0.03 -1.04 0.02 0.00 -1.10 0.00 0.00 60.65 58.57 3i3y s ILE 105 Cb -0.12 -1.79 0.01 0.00 -1.06 0.00 0.00 42.46 39.50 3i3y s ILE 105 CO -0.04 0.58 -0.17 -0.63 -0.10 0.00 0.00 174.94 174.59 3i3y s ILE 106 N -0.59 1.61 0.09 2.92 1.01 -0.85 -4.98 121.20 120.41 3i3y s ILE 106 Ca 0.09 -0.71 0.10 0.00 0.00 0.00 0.00 60.65 60.12 3i3y s ILE 106 Cb -0.10 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 3i3y s ILE 106 CO -0.00 0.46 -0.24 -0.89 0.00 0.00 0.00 174.94 174.27 3i3y s THR 107 N 0.92 2.41 -0.02 2.92 2.01 -1.26 -0.31 115.64 122.30 3i3y s THR 107 Ca -0.07 -1.54 0.05 0.00 0.31 0.00 0.00 61.69 60.44 3i3y s THR 107 Cb -0.15 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 3i3y s THR 107 CO -0.01 0.20 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.05 3i3y s THR 108 N -0.99 1.44 0.00 -0.82 2.01 -0.06 -5.01 115.64 112.21 3i3y s THR 108 Ca 0.14 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.37 3i3y s THR 108 Cb -0.10 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.20 3i3y s THR 108 CO 0.06 0.41 0.00 1.07 -0.69 0.00 0.00 174.62 175.47 3i3y n THR 109 N 2.69 0.00 0.00 -0.82 5.66 -1.26 -2.81 114.28 117.74 3i3y n THR 109 Ca -0.15 0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 3i3y n THR 109 Cb 0.54 -1.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.32 3i3y n THR 109 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i3y n ALA 110 N -2.01 0.00 0.09 1.79 0.00 -1.26 -3.32 120.51 115.80 3i3y n ALA 110 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3i3y n ALA 110 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3i3y n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3y h ALA 111 N 0.00 -0.32 -0.70 0.00 0.00 -1.89 0.74 119.26 117.09 3i3y h ALA 111 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3i3y h ALA 111 Cb 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3i3y h ALA 111 CO 0.00 -0.72 0.19 0.00 0.00 0.00 0.00 179.25 178.71 3i3y h ALA 112 N 0.46 1.00 0.00 0.00 0.00 -1.85 -1.81 119.26 117.05 3i3y h ALA 112 Ca 0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3i3y h ALA 112 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3i3y h ALA 112 CO -0.13 0.66 -0.19 -0.44 0.00 0.00 0.00 179.25 179.14 3i3y h ASP 113 N 1.06 0.00 -0.22 0.00 3.32 -1.72 -2.81 116.42 116.04 3i3y h ASP 113 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3i3y h ASP 113 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3i3y h ASP 113 CO -0.00 0.19 0.00 0.35 -1.72 0.00 0.00 179.24 178.06 3i3y n THR 114 N -3.65 0.30 -2.54 0.35 -2.24 0.22 -4.86 114.28 101.85 3i3y n THR 114 Ca -0.01 -0.65 -0.42 0.00 -2.27 0.00 0.00 64.05 60.70 3i3y n THR 114 Cb 0.31 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 3i3y n THR 114 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3i3y s PHE 115 N -1.55 2.46 0.64 4.78 5.36 -0.71 -5.00 117.98 123.96 3i3y s PHE 115 Ca 0.31 0.29 -0.11 0.00 -0.96 0.00 0.00 56.93 56.46 3i3y s PHE 115 Cb 0.19 -4.53 -0.02 0.00 -0.34 0.00 0.00 43.02 38.32 3i3y s PHE 115 CO 0.28 -1.79 1.04 -1.12 -1.46 0.00 0.00 175.22 172.17 3i3y s SER 116 N 3.42 6.00 0.18 6.13 0.01 -1.26 -4.97 113.70 123.20 3i3y s SER 116 Ca 0.42 1.30 -0.12 0.00 1.31 0.00 0.00 55.95 58.86 3i3y s SER 116 Cb -0.08 -2.29 0.09 0.00 0.21 0.00 0.00 66.02 63.95 3i3y s SER 116 CO 0.22 -1.00 1.81 -0.07 0.41 0.00 0.00 173.24 174.62 3i3y h LEU 117 N -0.39 0.75 -1.57 2.44 3.38 -1.98 -1.62 115.31 116.32 3i3y h LEU 117 Ca -0.44 -0.07 0.23 0.00 0.09 0.00 0.00 57.88 57.69 3i3y h LEU 117 Cb 1.21 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 3i3y h LEU 117 CO 0.62 0.60 0.63 0.44 0.09 0.00 0.00 178.44 180.83 3i3y h ASP 118 N 0.83 0.34 -0.41 -0.43 3.45 -2.01 0.97 116.42 119.16 3i3y h ASP 118 Ca 0.22 0.04 -0.11 0.00 0.43 0.00 0.00 57.03 57.62 3i3y h ASP 118 Cb 0.00 -0.02 -0.06 0.00 -0.56 0.00 0.00 39.33 38.69 3i3y h ASP 118 CO -0.04 0.11 0.13 -0.62 -1.57 0.00 0.00 179.24 177.26 3i3y n GLU 119 N -4.49 2.64 0.00 3.56 1.02 -0.61 -4.36 120.64 118.41 3i3y n GLU 119 Ca 0.21 -1.73 0.00 0.00 -0.02 0.00 0.00 57.16 55.62 3i3y n GLU 119 Cb 0.81 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 3i3y n GLU 119 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3i3y n ILE 121 N 0.07 0.00 -0.34 -3.67 5.41 0.34 -4.61 119.36 116.56 3i3y n ILE 121 Ca 0.22 0.00 0.29 0.00 1.00 0.00 0.00 62.75 64.26 3i3y n ILE 121 Cb 0.92 0.00 0.61 0.00 -0.71 0.00 0.00 39.64 40.46 3i3y n ILE 121 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3i3y h PRO 122 N 0.00 0.21 -2.38 0.38 0.11 -1.77 -3.27 132.00 125.28 3i3y h PRO 122 Ca 0.00 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 3i3y h PRO 122 Cb 0.00 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.02 3i3y h PRO 122 CO 0.00 0.14 -0.03 0.72 -0.21 0.00 0.00 178.00 178.62 3i3y n HIS 123 N -4.47 0.00 0.00 0.65 8.25 -1.26 -4.69 115.22 113.70 3i3y n HIS 123 Ca 0.27 -0.88 0.00 0.00 -0.26 0.00 0.00 57.72 56.85 3i3y n HIS 123 Cb 1.07 -1.08 0.00 0.00 1.12 0.00 0.00 29.99 31.10 3i3y n HIS 123 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i3y n ALA 125 N 2.65 0.00 -1.23 -1.41 0.00 -1.24 -4.93 120.51 114.36 3i3y n ALA 125 Ca 0.24 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.71 3i3y n ALA 125 Cb 0.54 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.20 3i3y n ALA 125 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i3y n ASP 126 N 0.00 3.01 -4.82 0.00 2.03 -1.26 -5.01 116.55 110.50 3i3y n ASP 126 Ca 0.00 -3.39 -0.33 0.00 0.52 0.00 0.00 54.79 51.59 3i3y n ASP 126 Cb 0.00 -0.57 -0.03 0.00 -0.72 0.00 0.00 41.12 39.80 3i3y n ASP 126 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i3y s ALA 127 N -3.04 2.93 0.15 -1.67 0.00 -1.26 -5.07 121.76 113.80 3i3y s ALA 127 Ca 0.42 0.38 0.09 0.00 0.00 0.00 0.00 51.96 52.85 3i3y s ALA 127 Cb 0.36 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 3i3y s ALA 127 CO 0.04 -0.34 -0.19 0.08 0.00 0.00 0.00 175.76 175.34 3i3y s VAL 128 N -2.34 1.83 0.43 0.00 1.01 -1.26 -5.07 120.40 115.00 3i3y s VAL 128 Ca 0.63 -1.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.52 3i3y s VAL 128 Cb -0.13 -1.80 -0.10 0.00 0.00 0.00 0.00 36.38 34.36 3i3y s VAL 128 CO 0.27 -0.24 1.26 0.00 0.00 0.00 0.00 175.10 176.39 3i3y n ALA 129 N 0.48 1.25 0.00 5.51 0.00 -1.23 -1.51 120.51 125.01 3i3y n ALA 129 Ca -0.15 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3i3y n ALA 129 Cb 0.56 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.75 3i3y n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3y n GLY 130 N 0.83 3.17 3.64 0.00 0.00 -0.64 -5.05 105.19 107.14 3i3y n GLY 130 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3i3y n GLY 130 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i3y s ASP 131 N 0.03 2.62 -0.00 1.61 -0.00 -0.57 -4.50 116.67 115.86 3i3y s ASP 131 Ca 0.00 1.93 0.07 0.00 -0.00 0.00 0.00 52.55 54.55 3i3y s ASP 131 Cb 0.00 -2.46 -0.03 0.00 -0.00 0.00 0.00 42.92 40.43 3i3y s ASP 131 CO 0.00 -3.25 -0.21 -0.63 -0.00 0.00 0.00 175.17 171.09 3i3y s ILE 132 N -2.65 2.53 -0.23 0.77 1.01 -0.34 -0.56 121.20 121.73 3i3y s ILE 132 Ca 0.66 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 3i3y s ILE 132 Cb -0.22 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.30 3i3y s ILE 132 CO 0.59 0.49 -0.10 -0.22 0.00 0.00 0.00 174.94 175.71 3i3y s LEU 133 N -0.93 2.92 -0.16 2.97 2.96 -0.55 0.95 118.68 126.83 3i3y s LEU 133 Ca 0.12 -0.83 -0.04 0.00 -0.22 0.00 0.00 54.13 53.16 3i3y s LEU 133 Cb -0.10 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3i3y s LEU 133 CO 0.01 -0.09 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.70 3i3y s LEU 134 N 1.31 3.27 0.14 -0.68 2.96 0.41 -1.14 118.68 124.94 3i3y s LEU 134 Ca 0.01 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.84 3i3y s LEU 134 Cb -0.16 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 3i3y s LEU 134 CO -0.07 0.16 -0.11 -1.10 -1.32 0.00 0.00 176.35 173.91 3i3y s GLN 135 N 0.42 1.04 0.00 1.98 -0.21 -0.45 -2.67 119.66 119.77 3i3y s GLN 135 Ca -0.03 -1.36 0.00 0.00 0.02 0.00 0.00 55.36 53.99 3i3y s GLN 135 Cb -0.14 -0.71 0.00 0.00 1.00 0.00 0.00 33.01 33.15 3i3y s GLN 135 CO 0.03 0.11 0.00 1.04 -2.12 0.00 0.00 175.29 174.35 3i3y n GLN 136 N 0.09 3.87 -1.32 2.91 3.00 -1.25 -1.72 117.38 122.96 3i3y n GLN 136 Ca -0.12 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.66 3i3y n GLN 136 Cb 0.59 0.00 0.12 0.00 0.00 0.00 0.00 30.24 30.95 3i3y n GLN 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i3y n GLY 137 N 5.00 5.51 0.14 1.08 0.00 -0.89 -4.67 105.19 111.35 3i3y n GLY 137 Ca 0.00 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.26 3i3y n GLY 137 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i3y n ASN 138 N -0.97 0.81 -4.76 1.61 4.13 -1.26 -3.74 115.26 111.08 3i3y n ASN 138 Ca 0.49 -0.62 -0.24 0.00 1.68 0.00 0.00 54.58 55.88 3i3y n ASN 138 Cb 1.00 0.21 -0.07 0.00 -1.54 0.00 0.00 39.78 39.38 3i3y n ASN 138 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3i3y s PHE 139 N -2.73 2.63 0.87 3.10 0.08 -1.26 -4.82 117.98 115.85 3i3y s PHE 139 Ca 0.18 -0.55 -0.11 0.00 0.12 0.00 0.00 56.93 56.57 3i3y s PHE 139 Cb 0.18 -1.97 0.12 0.00 -0.57 0.00 0.00 43.02 40.78 3i3y s PHE 139 CO 0.61 0.15 1.11 -1.54 -0.10 0.00 0.00 175.22 175.44 3i3y s SER 140 N -3.94 3.49 0.21 1.36 1.04 -1.26 -4.73 113.70 109.87 3i3y s SER 140 Ca 0.42 1.88 -0.10 0.00 0.48 0.00 0.00 55.95 58.63 3i3y s SER 140 Cb 0.02 -2.47 0.18 0.00 0.10 0.00 0.00 66.02 63.85 3i3y s SER 140 CO 0.23 -2.69 1.87 0.25 0.98 0.00 0.00 173.24 173.88 3i3y h LEU 141 N -1.58 0.82 -0.55 2.42 5.85 -1.98 -0.14 115.31 120.14 3i3y h LEU 141 Ca -0.46 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.27 3i3y h LEU 141 Cb 1.26 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 3i3y h LEU 141 CO 0.48 0.58 0.35 0.44 -0.34 0.00 0.00 178.44 179.95 3i3y h ASP 142 N 0.97 0.58 -0.19 1.25 3.32 -1.99 -0.30 116.42 120.06 3i3y h ASP 142 Ca 0.28 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.17 3i3y h ASP 142 Cb -0.06 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.36 3i3y h ASP 142 CO -0.08 0.41 -0.48 0.11 -1.72 0.00 0.00 179.24 177.48 3i3y h LYS 143 N 0.70 0.66 -0.25 3.56 1.57 -1.83 -2.41 116.57 118.57 3i3y h LYS 143 Ca 0.21 -0.46 0.01 0.00 -1.87 0.00 0.00 60.65 58.55 3i3y h LYS 143 Cb -0.02 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3i3y h LYS 143 CO -0.07 1.08 0.14 1.15 -0.57 0.00 0.00 179.45 181.17 3i3y h THR 144 N 0.34 1.03 -0.35 -0.16 2.02 -0.88 0.43 112.91 115.34 3i3y h THR 144 Ca -0.01 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 3i3y h THR 144 Cb 1.10 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 3i3y h THR 144 CO 0.10 0.05 0.07 -0.09 0.37 0.00 0.00 175.52 176.03 3i3y h ARG 145 N 0.30 0.58 -0.41 6.66 2.43 -1.12 -1.40 114.38 121.42 3i3y h ARG 145 Ca 0.10 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3i3y h ARG 145 Cb -0.00 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3i3y h ARG 145 CO -0.05 0.64 0.11 0.00 -1.51 0.00 0.00 179.97 179.16 3i3y h ALA 146 N 0.91 1.43 -0.42 2.80 0.00 -1.24 0.82 119.26 123.56 3i3y h ALA 146 Ca 0.11 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3i3y h ALA 146 Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3i3y h ALA 146 CO 0.00 0.42 -0.28 -0.07 0.00 0.00 0.00 179.25 179.32 3i3y h LEU 147 N 0.59 0.98 -0.81 0.00 3.38 -0.60 -1.80 115.31 117.05 3i3y h LEU 147 Ca 0.14 -0.43 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 3i3y h LEU 147 Cb 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3i3y h LEU 147 CO -0.01 1.20 -0.47 -0.26 0.09 0.00 0.00 178.44 179.00 3i3y h PHE 148 N 0.77 0.36 -0.46 1.13 0.05 -0.70 -2.27 116.94 115.82 3i3y h PHE 148 Ca 0.08 -0.11 -0.10 0.00 3.82 0.00 0.00 57.97 61.66 3i3y h PHE 148 Cb 0.87 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 38.73 3i3y h PHE 148 CO 0.06 0.72 -0.10 1.96 -0.18 0.00 0.00 178.31 180.77 3i3y h GLN 149 N 0.24 0.89 -0.39 1.51 4.20 -0.71 -0.88 115.11 119.97 3i3y h GLN 149 Ca 0.01 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.37 3i3y h GLN 149 Cb 0.92 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 3i3y h GLN 149 CO 0.08 0.98 0.15 -0.92 -0.67 0.00 0.00 178.83 178.44 3i3y h TYR 150 N 0.73 0.60 -0.45 2.96 3.20 -1.23 -0.19 116.97 122.59 3i3y h TYR 150 Ca 0.12 -0.05 0.08 0.00 3.14 0.00 0.00 58.73 62.02 3i3y h TYR 150 Cb 0.64 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.66 3i3y h TYR 150 CO 0.05 0.54 0.03 0.00 -1.64 0.00 0.00 178.16 177.14 3i3y h ALA 151 N 0.99 0.44 -0.85 1.82 0.00 -1.20 -0.95 119.26 119.52 3i3y h ALA 151 Ca 0.13 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.22 3i3y h ALA 151 Cb 0.20 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3i3y h ALA 151 CO -0.01 -0.37 0.52 -0.09 0.00 0.00 0.00 179.25 179.30 3i3y h ARG 152 N 0.14 0.91 0.00 0.00 9.65 -0.61 -0.12 114.38 124.35 3i3y h ARG 152 Ca 0.22 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 3i3y h ARG 152 Cb 0.31 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3i3y h ARG 152 CO -0.34 0.60 0.00 0.66 2.80 0.00 0.00 179.97 183.69 3i3y h SER 153 N 0.94 0.00 -0.42 -3.80 4.64 0.23 -2.37 113.55 112.76 3i3y h SER 153 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3i3y h SER 153 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3i3y h SER 153 CO -0.18 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.32 3i3y n ARG 154 N -2.69 2.41 -2.11 4.77 5.12 -0.10 -5.09 116.66 118.97 3i3y n ARG 154 Ca 0.01 -2.15 -0.02 0.00 -1.93 0.00 0.00 57.85 53.77 3i3y n ARG 154 Cb 0.28 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 3i3y n ARG 154 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i3y n GLY 155 N 1.47 -2.07 3.04 -0.13 0.00 -0.90 -3.51 105.19 103.09 3i3y n GLY 155 Ca 0.20 0.35 -0.23 0.00 0.00 0.00 0.00 46.02 46.33 3i3y n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3y s THR 157 N -1.34 1.04 -0.11 2.61 2.01 0.27 -1.62 115.64 118.51 3i3y s THR 157 Ca 0.07 -0.48 -0.03 0.00 0.31 0.00 0.00 61.69 61.55 3i3y s THR 157 Cb -0.02 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 3i3y s THR 157 CO 0.37 0.32 0.01 0.42 -0.69 0.00 0.00 174.62 175.05 3i3y s THR 158 N 0.30 4.40 -0.08 -0.82 -4.23 -1.26 -1.49 115.64 112.47 3i3y s THR 158 Ca -0.07 -0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.27 3i3y s THR 158 Cb -0.12 -2.89 0.01 0.00 1.34 0.00 0.00 72.50 70.85 3i3y s THR 158 CO 0.02 0.57 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.82 3i3y s VAL 159 N -0.51 1.41 -0.07 2.29 1.01 -0.29 -1.76 120.40 122.47 3i3y s VAL 159 Ca 0.09 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3i3y s VAL 159 Cb -0.12 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.00 3i3y s VAL 159 CO 0.02 0.42 -0.14 0.12 0.00 0.00 0.00 175.10 175.52 3i3y s PHE 160 N 0.63 1.59 -0.42 5.22 5.36 0.15 -1.34 117.98 129.18 3i3y s PHE 160 Ca -0.15 -0.59 0.02 0.00 -0.96 0.00 0.00 56.93 55.25 3i3y s PHE 160 Cb -0.16 -1.14 0.13 0.00 -0.34 0.00 0.00 43.02 41.51 3i3y s PHE 160 CO 0.04 -0.28 0.22 1.21 -1.46 0.00 0.00 175.22 174.95 3i3y s ASN 161 N 0.59 3.63 -0.62 6.13 2.47 -0.70 -0.94 114.94 125.50 3i3y s ASN 161 Ca -0.14 -2.51 -0.19 0.00 0.42 0.00 0.00 52.86 50.44 3i3y s ASN 161 Cb -0.16 -0.97 -0.17 0.00 -1.45 0.00 0.00 41.25 38.51 3i3y s ASN 161 CO 0.04 -0.28 1.84 -2.65 -3.72 0.00 0.00 177.10 172.33 3i3y n PRO 162 N 3.69 1.26 -3.67 0.43 -0.02 -1.26 -2.87 135.00 132.55 3i3y n PRO 162 Ca 0.08 -1.55 -0.17 0.00 -2.02 0.00 0.00 63.50 59.85 3i3y n PRO 162 Cb 0.35 -2.70 -0.16 0.00 -0.02 0.00 0.00 33.50 30.97 3i3y n PRO 162 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i3y s SER 163 N 5.04 0.69 0.30 2.55 0.15 -1.26 -2.85 113.70 118.31 3i3y s SER 163 Ca 0.52 0.32 -0.30 0.00 0.70 0.00 0.00 55.95 57.19 3i3y s SER 163 Cb 0.13 0.24 -0.12 0.00 -1.71 0.00 0.00 66.02 64.56 3i3y s SER 163 CO 0.12 -0.24 1.43 -2.65 1.20 0.00 0.00 173.24 173.10 3i3y n PRO 164 N 5.22 2.30 -2.30 5.44 -0.02 -1.25 -2.10 135.00 142.29 3i3y n PRO 164 Ca -0.07 0.81 -0.36 0.00 -2.02 0.00 0.00 63.50 61.86 3i3y n PRO 164 Cb 0.50 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 3i3y n PRO 164 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i3y s VAL 165 N -0.49 3.20 -0.11 -1.45 0.11 -1.13 -4.23 120.40 116.30 3i3y s VAL 165 Ca 0.61 0.86 -0.01 0.00 -2.93 0.00 0.00 61.98 60.51 3i3y s VAL 165 Cb -0.57 -3.41 0.04 0.00 -1.53 0.00 0.00 36.38 30.91 3i3y s VAL 165 CO 0.55 -0.06 -0.01 0.21 -3.33 0.00 0.00 175.10 172.46 3i3y s ASN 166 N -1.51 2.06 0.50 3.54 3.84 -1.26 -5.02 114.94 117.09 3i3y s ASN 166 Ca 0.66 -0.32 0.32 0.00 0.21 0.00 0.00 52.86 53.72 3i3y s ASN 166 Cb -0.26 -0.57 1.44 0.00 -0.55 0.00 0.00 41.25 41.30 3i3y s ASN 166 CO 0.31 -0.21 1.78 1.55 -2.79 0.00 0.00 177.10 177.75 3i3y h PRO 167 N 8.27 0.10 0.00 0.43 0.13 -1.96 0.62 132.00 139.60 3i3y h PRO 167 Ca -0.21 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3i3y h PRO 167 Cb 1.12 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3i3y h PRO 167 CO 0.31 0.07 0.00 -0.25 -0.23 0.00 0.00 178.00 177.90 3i3y n ASP 168 N -4.32 0.00 0.00 1.44 8.00 -1.26 -2.74 116.55 117.68 3i3y n ASP 168 Ca 0.27 0.42 0.08 0.00 0.71 0.00 0.00 54.79 56.28 3i3y n ASP 168 Cb 1.18 -0.47 0.48 0.00 -0.02 0.00 0.00 41.12 42.30 3i3y n ASP 168 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i3y n PHE 169 N -1.47 0.00 0.69 1.24 3.72 0.21 -2.86 117.46 118.99 3i3y n PHE 169 Ca 0.05 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.53 3i3y n PHE 169 Cb 0.20 -0.09 0.39 0.00 -0.94 0.00 0.00 39.48 39.05 3i3y n PHE 169 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3y n HIS 171 N -1.39 0.00 1.27 0.00 8.25 -1.13 -4.43 115.22 117.79 3i3y n HIS 171 Ca 0.06 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.66 3i3y n HIS 171 Cb 0.16 -0.25 0.69 0.00 1.12 0.00 0.00 29.99 31.71 3i3y n HIS 171 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3i3y n LEU 172 N -1.88 0.04 -0.32 2.41 4.32 -1.05 -4.30 117.00 116.21 3i3y n LEU 172 Ca -0.00 0.34 0.19 0.00 -0.02 0.00 0.00 56.01 56.51 3i3y n LEU 172 Cb 0.45 -0.35 0.44 0.00 -1.62 0.00 0.00 43.42 42.33 3i3y n LEU 172 CO 0.44 0.01 1.20 -0.50 -1.22 0.00 0.00 177.39 177.33 3i3y h TRP 173 N 0.03 0.81 -0.03 -1.77 -0.00 -1.77 -0.16 115.95 113.05 3i3y h TRP 173 Ca 0.00 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.93 3i3y h TRP 173 Cb 0.37 -0.24 -0.00 0.00 -0.00 0.00 0.00 29.16 29.29 3i3y h TRP 173 CO 0.00 0.13 0.10 -1.35 -0.00 0.00 0.00 178.44 177.32 3i3y h PRO 174 N 0.53 0.00 -0.01 0.49 0.11 -1.94 -1.15 132.00 130.03 3i3y h PRO 174 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 3i3y h PRO 174 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3i3y h PRO 174 CO -0.32 0.00 -0.20 1.28 -0.21 0.00 0.00 178.00 178.54 3i3y n LEU 175 N -3.30 1.49 -4.74 2.35 4.77 -0.07 -4.95 117.00 112.55 3i3y n LEU 175 Ca -0.02 -0.47 -0.35 0.00 -0.03 0.00 0.00 56.01 55.14 3i3y n LEU 175 Cb 0.18 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 3i3y n LEU 175 CO 0.21 0.27 -0.27 -0.63 -1.33 0.00 0.00 177.39 175.64 3i3y s ILE 176 N -2.32 4.64 -0.24 -0.08 -1.09 -0.43 -4.75 121.20 116.92 3i3y s ILE 176 Ca 0.27 -0.19 -0.02 0.00 -2.23 0.00 0.00 60.65 58.48 3i3y s ILE 176 Cb 0.20 -3.00 -0.14 0.00 -1.58 0.00 0.00 42.46 37.93 3i3y s ILE 176 CO 0.46 0.55 -0.24 0.47 -1.23 0.00 0.00 174.94 174.95 3i3y n ASP 177 N 1.90 2.06 -4.05 3.58 8.00 -0.94 -4.52 116.55 122.58 3i3y n ASP 177 Ca -0.18 -0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.01 3i3y n ASP 177 Cb 0.54 -0.47 -0.16 0.00 -0.02 0.00 0.00 41.12 41.00 3i3y n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i3y s ILE 178 N -2.46 1.83 -0.11 0.53 1.01 -0.73 -1.72 121.20 119.55 3i3y s ILE 178 Ca -0.32 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.36 3i3y s ILE 178 Cb 0.10 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 3i3y s ILE 178 CO 0.51 0.37 -0.01 0.00 0.00 0.00 0.00 174.94 175.81 3i3y s ALA 179 N 1.35 3.20 -0.13 9.38 0.00 0.46 -0.67 121.76 135.35 3i3y s ALA 179 Ca 0.02 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 3i3y s ALA 179 Cb -0.14 -1.52 0.04 0.00 0.00 0.00 0.00 23.12 21.50 3i3y s ALA 179 CO -0.10 0.45 0.01 0.08 0.00 0.00 0.00 175.76 176.20 3i3y s VAL 180 N -0.44 0.53 0.05 0.00 1.01 -0.11 -0.46 120.40 120.98 3i3y s VAL 180 Ca 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 3i3y s VAL 180 Cb -0.12 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 3i3y s VAL 180 CO 0.02 0.06 -0.00 0.68 0.00 0.00 0.00 175.10 175.86 3i3y s VAL 181 N 1.88 0.20 0.60 2.92 -7.23 -0.27 -4.14 120.40 114.37 3i3y s VAL 181 Ca 0.02 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 58.56 3i3y s VAL 181 Cb -0.15 -1.36 0.05 0.00 0.56 0.00 0.00 36.38 35.49 3i3y s VAL 181 CO -0.07 -0.90 0.85 0.54 -0.31 0.00 0.00 175.10 175.21 3i3y s ASN 182 N -2.74 5.06 0.28 4.85 2.20 -1.26 0.25 114.94 123.57 3i3y s ASN 182 Ca 0.04 0.03 0.02 0.00 -0.94 0.00 0.00 52.86 52.02 3i3y s ASN 182 Cb 0.06 -0.80 0.61 0.00 -2.00 0.00 0.00 41.25 39.11 3i3y s ASN 182 CO -0.09 -1.33 1.79 1.05 -2.94 0.00 0.00 177.10 175.58 3i3y h GLU 183 N -0.14 0.78 0.34 3.55 9.09 -1.89 0.18 114.58 126.50 3i3y h GLU 183 Ca -0.42 -0.05 -0.02 0.00 0.05 0.00 0.00 59.36 58.93 3i3y h GLU 183 Cb 1.30 -0.18 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 3i3y h GLU 183 CO 0.52 0.52 -0.17 1.03 0.05 0.00 0.00 179.01 180.96 3i3y h SER 184 N 0.80 -0.39 -0.90 3.06 0.87 -1.94 -2.03 113.55 113.03 3i3y h SER 184 Ca 0.52 -0.04 0.07 0.00 -1.23 0.00 0.00 61.79 61.10 3i3y h SER 184 Cb 0.68 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.68 3i3y h SER 184 CO -0.33 -0.21 0.58 -0.33 -0.53 0.00 0.00 176.83 176.01 3i3y h GLU 185 N -0.55 0.97 -0.03 2.24 5.08 -1.74 0.06 114.58 120.61 3i3y h GLU 185 Ca -0.05 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3i3y h GLU 185 Cb 0.41 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3i3y h GLU 185 CO 0.08 0.64 -0.14 0.00 -1.00 0.00 0.00 179.01 178.59 3i3y h ALA 186 N 1.52 1.72 0.14 3.43 0.00 -0.35 -0.84 119.26 124.88 3i3y h ALA 186 Ca 0.39 -0.14 -0.35 0.00 0.00 0.00 0.00 54.91 54.80 3i3y h ALA 186 Cb 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3i3y h ALA 186 CO -0.15 0.21 -1.87 1.49 0.00 0.00 0.00 179.25 178.93 3i3y h GLU 187 N 0.04 0.30 -0.14 0.00 4.81 -0.49 -2.80 114.58 116.29 3i3y h GLU 187 Ca 0.01 -0.50 -0.13 0.00 -0.13 0.00 0.00 59.36 58.61 3i3y h GLU 187 Cb 0.28 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3i3y h GLU 187 CO 0.02 1.21 -0.46 1.25 -0.73 0.00 0.00 179.01 180.30 3i3y h LEU 188 N 0.08 0.38 0.00 1.64 5.85 -0.88 -3.31 115.31 119.07 3i3y h LEU 188 Ca -0.38 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.17 3i3y h LEU 188 Cb 2.06 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.98 3i3y h LEU 188 CO 0.12 0.78 -1.12 0.18 -0.34 0.00 0.00 178.44 178.07 3i3y n LEU 189 N -3.99 0.49 -3.73 2.25 4.32 -0.34 -4.95 117.00 111.05 3i3y n LEU 189 Ca -0.02 -0.32 -0.23 0.00 -0.02 0.00 0.00 56.01 55.42 3i3y n LEU 189 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 3i3y n LEU 189 CO 0.44 0.12 -0.17 0.00 -1.22 0.00 0.00 177.39 176.55 3i3y n GLN 190 N -1.63 -1.43 -1.73 3.23 1.13 -1.05 -4.66 117.38 111.23 3i3y n GLN 190 Ca 0.01 0.79 -0.39 0.00 -1.94 0.00 0.00 57.00 55.46 3i3y n GLN 190 Cb 0.32 -2.71 0.03 0.00 0.11 0.00 0.00 30.24 27.99 3i3y n GLN 190 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3i3y n PRO 191 N -2.72 1.86 0.00 -1.09 -0.02 -1.26 -4.96 135.00 126.80 3i3y n PRO 191 Ca -0.27 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3i3y n PRO 191 Cb 0.66 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3i3y n PRO 191 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3i3y n TYR 192 N -0.65 0.00 0.00 6.00 4.11 -1.26 -4.94 117.16 120.43 3i3y n TYR 192 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.98 3i3y n TYR 192 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.77 3i3y n TYR 192 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3i3y n GLY 193 N 0.97 0.00 3.77 -7.48 0.00 -1.26 -4.78 105.19 96.41 3i3y n GLY 193 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3i3y n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i3y s VAL 194 N -0.70 4.31 0.23 1.61 1.01 -1.26 -4.98 120.40 120.62 3i3y s VAL 194 Ca 0.00 1.76 -0.06 0.00 0.00 0.00 0.00 61.98 63.69 3i3y s VAL 194 Cb 0.00 -4.16 0.12 0.00 0.00 0.00 0.00 36.38 32.34 3i3y s VAL 194 CO 0.00 0.50 1.74 0.11 0.00 0.00 0.00 175.10 177.44 3i3y h LYS 195 N 4.22 1.00 -3.81 2.72 1.57 -1.74 -3.42 116.57 117.12 3i3y h LYS 195 Ca -0.47 -0.25 -0.43 0.00 -1.87 0.00 0.00 60.65 57.63 3i3y h LYS 195 Cb 1.20 -0.13 -0.37 0.00 0.08 0.00 0.00 32.23 33.02 3i3y h LYS 195 CO 0.66 0.92 -0.77 0.99 -0.57 0.00 0.00 179.45 180.68 3i3y s THR 196 N -5.18 0.44 -0.15 -0.16 2.01 -0.70 -4.54 115.64 107.36 3i3y s THR 196 Ca -0.11 0.04 0.02 0.00 0.31 0.00 0.00 61.69 61.95 3i3y s THR 196 Cb 0.15 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 72.11 3i3y s THR 196 CO 0.83 0.25 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.59 3i3y s LEU 197 N 1.68 2.07 -0.19 4.42 2.96 -0.63 -0.40 118.68 128.59 3i3y s LEU 197 Ca 0.01 -0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 3i3y s LEU 197 Cb -0.13 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.14 3i3y s LEU 197 CO -0.04 0.04 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.20 3i3y s VAL 198 N 1.03 2.62 -0.34 1.68 1.01 0.39 -0.46 120.40 126.34 3i3y s VAL 198 Ca -0.02 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 3i3y s VAL 198 Cb -0.14 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.11 3i3y s VAL 198 CO -0.06 0.50 0.17 -0.63 0.00 0.00 0.00 175.10 175.07 3i3y s ILE 199 N 1.25 4.43 -0.03 2.22 1.01 -0.50 -1.11 121.20 128.48 3i3y s ILE 199 Ca 0.03 -0.74 -0.21 0.00 0.00 0.00 0.00 60.65 59.73 3i3y s ILE 199 Cb -0.14 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 3i3y s ILE 199 CO -0.07 -0.10 0.61 0.42 0.00 0.00 0.00 174.94 175.80 3i3y s THR 200 N 1.55 4.96 -0.12 2.92 -4.23 0.14 -0.84 115.64 120.02 3i3y s THR 200 Ca 0.02 1.27 0.17 0.00 -1.18 0.00 0.00 61.69 61.98 3i3y s THR 200 Cb -0.18 -3.95 0.41 0.00 1.34 0.00 0.00 72.50 70.12 3i3y s THR 200 CO 0.06 0.37 1.19 0.00 -0.54 0.00 0.00 174.62 175.70 3i3y n GLN 201 N 3.07 0.92 0.00 3.99 6.02 0.34 -2.85 117.38 128.87 3i3y n GLN 201 Ca -0.05 -2.73 0.00 0.00 -0.01 0.00 0.00 57.00 54.21 3i3y n GLN 201 Cb 0.51 -0.96 0.00 0.00 1.02 0.00 0.00 30.24 30.81 3i3y n GLN 201 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i3y n GLY 202 N -0.47 2.62 0.37 1.08 0.00 -1.17 -1.65 105.19 105.98 3i3y n GLY 202 Ca 0.13 0.32 0.12 0.00 0.00 0.00 0.00 46.02 46.59 3i3y n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3y h ALA 203 N -0.31 1.86 -0.38 4.61 0.00 -1.99 -1.48 119.26 121.57 3i3y h ALA 203 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3i3y h ALA 203 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3i3y h ALA 203 CO 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 179.25 179.23 3i3y h ALA 204 N 1.61 0.50 0.00 0.00 0.00 -1.74 -3.39 119.26 116.24 3i3y h ALA 204 Ca 0.41 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i3y h ALA 204 Cb 0.66 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i3y h ALA 204 CO -0.17 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.71 3i3y n GLY 205 N -0.47 0.51 3.45 0.00 0.00 -0.56 -3.57 105.19 104.55 3i3y n GLY 205 Ca -0.01 -1.39 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 3i3y n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3y s ALA 206 N -1.00 -1.48 -0.06 4.61 0.00 -0.45 -0.50 121.76 122.88 3i3y s ALA 206 Ca 0.00 1.17 -0.01 0.00 0.00 0.00 0.00 51.96 53.12 3i3y s ALA 206 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3i3y s ALA 206 CO 0.00 -0.33 0.00 -1.58 0.00 0.00 0.00 175.76 173.85 3i3y s TRP 207 N -0.90 3.14 -0.14 0.00 0.52 -0.02 0.11 118.94 121.66 3i3y s TRP 207 Ca -0.09 0.16 -0.00 0.00 0.02 0.00 0.00 56.10 56.19 3i3y s TRP 207 Cb -0.02 -1.76 -0.01 0.00 -1.15 0.00 0.00 33.47 30.53 3i3y s TRP 207 CO 0.07 0.46 -0.13 -1.17 0.02 0.00 0.00 176.95 176.20 3i3y s LEU 208 N -1.05 2.66 -0.18 2.99 2.96 0.18 -1.41 118.68 124.83 3i3y s LEU 208 Ca 0.15 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 53.69 3i3y s LEU 208 Cb -0.11 -1.60 0.04 0.00 0.50 0.00 0.00 46.19 45.02 3i3y s LEU 208 CO 0.04 0.14 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.48 3i3y s VAL 209 N 0.48 1.14 0.00 1.68 1.01 0.39 -0.63 120.40 124.47 3i3y s VAL 209 Ca -0.10 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3i3y s VAL 209 Cb -0.16 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.88 3i3y s VAL 209 CO 0.05 0.08 0.00 0.00 0.00 0.00 0.00 175.10 175.23 3i3y n GLN 210 N 4.86 0.65 -0.61 2.72 1.13 -0.74 -1.61 117.38 123.78 3i3y n GLN 210 Ca -0.12 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.68 3i3y n GLN 210 Cb 0.47 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.78 3i3y n GLN 210 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3i3y n GLU 211 N 0.00 0.98 0.00 -1.09 4.71 -1.26 -4.06 120.64 119.92 3i3y n GLU 211 Ca 0.00 -1.22 0.00 0.00 -0.01 0.00 0.00 57.16 55.93 3i3y n GLU 211 Cb 0.00 -2.47 0.00 0.00 -1.01 0.00 0.00 31.44 27.96 3i3y n GLU 211 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i3y n GLY 212 N 4.27 2.84 3.72 0.62 0.00 -1.26 -4.99 105.19 110.40 3i3y n GLY 212 Ca 0.35 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 3i3y n GLY 212 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i3y s GLN 213 N 0.00 4.50 -0.14 1.61 -1.52 -1.26 -5.05 119.66 117.80 3i3y s GLN 213 Ca 0.00 1.09 -0.02 0.00 -1.95 0.00 0.00 55.36 54.48 3i3y s GLN 213 Cb 0.00 -3.43 -0.02 0.00 -0.22 0.00 0.00 33.01 29.34 3i3y s GLN 213 CO 0.00 0.10 -0.08 1.03 -0.25 0.00 0.00 175.29 176.09 3i3y s ARG 214 N 0.60 3.50 -0.05 2.91 0.52 -1.26 -1.80 118.95 123.36 3i3y s ARG 214 Ca 0.42 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 55.06 3i3y s ARG 214 Cb -0.20 -2.78 0.02 0.00 0.52 0.00 0.00 34.95 32.51 3i3y s ARG 214 CO 0.22 0.26 -0.09 -0.65 0.02 0.00 0.00 175.30 175.07 3i3y s GLN 215 N 0.27 1.29 -0.16 3.54 -0.21 0.20 -4.98 119.66 119.61 3i3y s GLN 215 Ca -0.06 -0.28 -0.05 0.00 0.02 0.00 0.00 55.36 54.99 3i3y s GLN 215 Cb -0.15 -1.13 -0.03 0.00 1.00 0.00 0.00 33.01 32.70 3i3y s GLN 215 CO 0.04 -0.01 0.01 0.12 -2.12 0.00 0.00 175.29 173.33 3i3y s PHE 216 N 0.73 3.14 -0.29 0.91 5.36 -1.26 0.48 117.98 127.04 3i3y s PHE 216 Ca -0.13 -0.09 -0.00 0.00 -0.96 0.00 0.00 56.93 55.75 3i3y s PHE 216 Cb -0.15 -2.00 0.06 0.00 -0.34 0.00 0.00 43.02 40.59 3i3y s PHE 216 CO 0.02 0.10 -0.02 0.00 -1.46 0.00 0.00 175.22 173.85 3i3y s PRO 218 N 1.20 2.73 0.73 0.00 0.02 -1.26 -1.33 135.00 137.08 3i3y s PRO 218 Ca -0.05 1.87 -0.11 0.00 0.02 0.00 0.00 61.00 62.73 3i3y s PRO 218 Cb -0.20 -1.89 0.03 0.00 0.02 0.00 0.00 34.50 32.46 3i3y s PRO 218 CO -0.02 -1.41 1.07 0.00 -0.33 0.00 0.00 177.00 176.31 3i3y s ALA 219 N -1.61 2.48 -0.12 -1.55 0.00 -1.23 -4.86 121.76 114.88 3i3y s ALA 219 Ca 0.78 0.16 -0.22 0.00 0.00 0.00 0.00 51.96 52.69 3i3y s ALA 219 Cb -0.32 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3i3y s ALA 219 CO 0.37 -1.47 0.63 0.08 0.00 0.00 0.00 175.76 175.37 3i3y s VAL 220 N -2.98 5.07 0.32 0.00 1.01 -1.26 -5.00 120.40 117.56 3i3y s VAL 220 Ca 0.59 1.27 -0.29 0.00 0.00 0.00 0.00 61.98 63.56 3i3y s VAL 220 Cb -0.15 -3.97 -0.12 0.00 0.00 0.00 0.00 36.38 32.14 3i3y s VAL 220 CO 0.55 0.22 1.35 -2.65 0.00 0.00 0.00 175.10 174.58 3i3y n PRO 221 N 4.14 2.21 -3.77 2.72 -0.02 -1.26 -4.84 135.00 134.17 3i3y n PRO 221 Ca -0.02 0.78 -0.09 0.00 -2.02 0.00 0.00 63.50 62.14 3i3y n PRO 221 Cb 0.51 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 3i3y n PRO 221 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i3y s ALA 222 N -0.83 -0.87 -0.53 3.55 0.00 -1.26 -5.03 121.76 116.79 3i3y s ALA 222 Ca 0.58 -0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.07 3i3y s ALA 222 Cb -0.57 0.87 0.09 0.00 0.00 0.00 0.00 23.12 23.52 3i3y s ALA 222 CO 0.59 -0.81 0.53 -2.00 0.00 0.00 0.00 175.76 174.07 3i3y s GLU 223 N -3.89 3.02 -0.96 0.00 -6.30 -1.26 -5.01 118.70 104.29 3i3y s GLU 223 Ca 0.11 -1.38 -0.21 0.00 -2.50 0.00 0.00 54.97 50.99 3i3y s GLU 223 Cb -0.01 -4.21 0.09 0.00 0.00 0.00 0.00 34.13 30.00 3i3y s GLU 223 CO -0.01 -1.27 1.27 0.00 0.02 0.00 0.00 175.26 175.27 3i3y s ALA 224 N 2.02 3.07 -0.11 6.30 0.00 -1.26 -3.68 121.76 128.10 3i3y s ALA 224 Ca 0.07 -2.51 0.10 0.00 0.00 0.00 0.00 51.96 49.62 3i3y s ALA 224 Cb -0.25 -4.26 -0.24 0.00 0.00 0.00 0.00 23.12 18.38 3i3y s ALA 224 CO 0.06 -3.26 0.39 1.47 0.00 0.00 0.00 175.76 174.43 3i3y n LEU 225 N 7.62 1.05 -3.62 0.00 -0.00 0.47 -4.79 117.00 117.73 3i3y n LEU 225 Ca 0.27 0.23 -0.29 0.00 -0.00 0.00 0.00 56.01 56.22 3i3y n LEU 225 Cb 0.50 -0.01 -0.15 0.00 -0.00 0.00 0.00 43.42 43.76 3i3y n LEU 225 CO 0.58 0.53 -0.33 -0.62 -0.00 0.00 0.00 177.39 177.54 3i3y s ASP 226 N -6.10 3.65 0.19 1.45 2.15 -1.03 -5.02 116.67 111.97 3i3y s ASP 226 Ca -0.11 -1.37 0.20 0.00 0.43 0.00 0.00 52.55 51.70 3i3y s ASP 226 Cb 0.07 -0.54 0.86 0.00 -0.30 0.00 0.00 42.92 43.01 3i3y s ASP 226 CO 0.80 -0.42 1.60 1.07 -0.17 0.00 0.00 175.17 178.05 3i3y n THR 227 N 5.10 0.97 -1.65 1.71 5.66 -1.26 -4.06 114.28 120.75 3i3y n THR 227 Ca -0.05 0.32 -0.45 0.00 -3.05 0.00 0.00 64.05 60.82 3i3y n THR 227 Cb 0.42 -1.23 -0.03 0.00 -1.55 0.00 0.00 70.33 67.95 3i3y n THR 227 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 3i3y n THR 228 N -2.03 1.13 -0.27 1.09 -1.04 -1.26 -2.06 114.28 109.84 3i3y n THR 228 Ca 0.02 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 3i3y n THR 228 Cb 0.17 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 3i3y n THR 228 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i3y n GLY 229 N 1.91 2.44 0.33 3.41 0.00 -1.26 -4.71 105.19 107.32 3i3y n GLY 229 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 3i3y n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3y h ALA 230 N 0.00 -0.44 -0.24 4.61 0.00 -1.75 0.60 119.26 122.04 3i3y h ALA 230 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i3y h ALA 230 Cb 0.00 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3i3y h ALA 230 CO 0.00 -0.82 0.15 0.78 0.00 0.00 0.00 179.25 179.36 3i3y h GLY 231 N -0.45 0.34 1.80 0.00 0.00 -1.91 -1.87 103.07 100.98 3i3y h GLY 231 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3i3y h GLY 231 CO -0.28 0.14 0.06 -0.55 0.00 0.00 0.00 176.54 175.91 3i3y h ASP 232 N 0.30 0.24 -0.14 0.19 3.32 -1.88 -1.56 116.42 116.88 3i3y h ASP 232 Ca 0.09 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 3i3y h ASP 232 Cb 0.01 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3i3y h ASP 232 CO -0.02 0.24 -0.26 0.74 -1.72 0.00 0.00 179.24 178.22 3i3y h THR 233 N 0.27 1.36 0.08 0.35 2.02 -0.61 -1.46 112.91 114.93 3i3y h THR 233 Ca 0.07 -1.51 0.01 0.00 0.77 0.00 0.00 66.41 65.75 3i3y h THR 233 Cb 0.09 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 3i3y h THR 233 CO -0.01 0.45 -0.15 0.15 0.37 0.00 0.00 175.52 176.34 3i3y h PHE 234 N 0.04 -0.38 0.38 3.16 3.57 -0.80 -0.23 116.94 122.67 3i3y h PHE 234 Ca 0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3i3y h PHE 234 Cb 0.84 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 3i3y h PHE 234 CO 0.10 -0.22 -0.24 1.25 -2.23 0.00 0.00 178.31 176.97 3i3y h LEU 235 N -0.29 -0.60 0.20 0.59 5.85 -1.33 -3.23 115.31 116.50 3i3y h LEU 235 Ca 0.02 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3i3y h LEU 235 Cb 0.31 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3i3y h LEU 235 CO -0.09 -0.38 -0.47 0.00 -0.34 0.00 0.00 178.44 177.17 3i3y h ALA 236 N -0.01 -0.89 0.00 1.25 0.00 -1.12 -0.98 119.26 117.52 3i3y h ALA 236 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3i3y h ALA 236 Cb 0.49 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3i3y h ALA 236 CO 0.04 -1.06 0.00 0.28 0.00 0.00 0.00 179.25 178.50 3i3y n VAL 237 N -5.49 0.40 0.00 0.00 0.31 -0.11 -0.65 118.33 112.79 3i3y n VAL 237 Ca -0.09 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 3i3y n VAL 237 Cb 0.41 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 3i3y n VAL 237 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3i3y n LEU 239 N 1.18 0.00 -0.24 7.52 7.94 -0.37 -1.22 117.00 131.82 3i3y n LEU 239 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 3i3y n LEU 239 Cb 0.15 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.14 3i3y n LEU 239 CO 0.00 0.00 1.03 0.00 -1.11 0.00 0.00 177.39 177.31 3i3y h ALA 240 N 0.00 0.85 0.21 1.96 0.00 -1.12 -1.11 119.26 120.05 3i3y h ALA 240 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3i3y h ALA 240 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3i3y h ALA 240 CO 0.00 0.43 -0.18 1.03 0.00 0.00 0.00 179.25 180.53 3i3y h SER 241 N 0.92 -0.47 -0.70 0.00 0.87 -1.41 0.19 113.55 112.95 3i3y h SER 241 Ca 0.22 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.83 3i3y h SER 241 Cb 0.15 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 3i3y h SER 241 CO -0.03 -0.28 0.46 0.00 -0.53 0.00 0.00 176.83 176.46 3i3y h ALA 242 N 0.34 1.50 -0.17 6.23 0.00 -1.79 -2.71 119.26 122.67 3i3y h ALA 242 Ca -0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3i3y h ALA 242 Cb 0.37 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i3y h ALA 242 CO -0.02 0.46 -0.14 -0.07 0.00 0.00 0.00 179.25 179.48 3i3y h LEU 243 N 0.94 0.41 -0.26 0.00 4.07 -0.76 0.29 115.31 120.01 3i3y h LEU 243 Ca 0.25 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 57.75 3i3y h LEU 243 Cb -0.11 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.52 3i3y h LEU 243 CO -0.05 0.78 0.00 0.18 -1.08 0.00 0.00 178.44 178.27 3i3y n LEU 244 N -4.55 0.19 0.00 1.67 4.77 0.62 -1.75 117.00 117.95 3i3y n LEU 244 Ca -0.06 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3i3y n LEU 244 Cb 0.36 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3i3y n LEU 244 CO 0.39 -0.41 0.39 0.54 -1.33 0.00 0.00 177.39 176.97 3i3y n ARG 245 N -1.72 1.44 -3.72 3.23 1.74 -1.04 -5.05 116.66 111.53 3i3y n ARG 245 Ca 0.02 -1.07 -0.25 0.00 -0.77 0.00 0.00 57.85 55.78 3i3y n ARG 245 Cb 0.14 -0.96 0.01 0.00 -1.02 0.00 0.00 32.46 30.63 3i3y n ARG 245 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i3y n GLY 246 N -0.29 -1.21 0.00 -0.13 0.00 -0.02 -4.93 105.19 98.60 3i3y n GLY 246 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3i3y n GLY 246 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i3y n VAL 247 N -3.00 0.00 -0.41 1.61 0.24 -0.52 -5.03 118.33 111.22 3i3y n VAL 247 Ca -0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 3i3y n VAL 247 Cb 0.64 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 3i3y n VAL 247 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i3y n ALA 248 N 0.00 -1.22 -0.88 2.33 0.00 -1.25 -4.87 120.51 114.62 3i3y n ALA 248 Ca 0.00 0.12 -0.35 0.00 0.00 0.00 0.00 53.44 53.22 3i3y n ALA 248 Cb 0.12 -0.74 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 3i3y n ALA 248 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i3y n PRO 249 N -1.40 0.00 -4.02 0.00 -0.02 -1.26 -4.88 135.00 123.41 3i3y n PRO 249 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 3i3y n PRO 249 Cb 0.07 -0.87 -0.06 0.00 -0.02 0.00 0.00 33.50 32.61 3i3y n PRO 249 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3i3y s ASP 250 N -0.02 -0.03 0.25 2.55 -4.77 -1.26 -5.03 116.67 108.36 3i3y s ASP 250 Ca 0.53 -1.00 -0.08 0.00 -3.30 0.00 0.00 52.55 48.70 3i3y s ASP 250 Cb -0.74 0.57 0.42 0.00 -1.09 0.00 0.00 42.92 42.07 3i3y s ASP 250 CO 0.34 -1.12 1.61 0.00 0.70 0.00 0.00 175.17 176.70 3i3y h ALA 251 N 2.29 0.70 -0.83 2.11 0.00 -1.98 0.48 119.26 122.02 3i3y h ALA 251 Ca -0.27 0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i3y h ALA 251 Cb 1.25 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 3i3y h ALA 251 CO 0.37 -0.43 0.52 1.25 0.00 0.00 0.00 179.25 180.96 3i3y h LEU 252 N 0.04 0.98 -0.85 0.00 5.85 -1.99 -2.21 115.31 117.13 3i3y h LEU 252 Ca 0.41 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.11 3i3y h LEU 252 Cb 0.71 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 3i3y h LEU 252 CO -0.76 0.74 0.56 0.00 -0.34 0.00 0.00 178.44 178.64 3i3y h ALA 253 N 1.43 1.09 -0.22 1.25 0.00 -1.30 -0.46 119.26 121.05 3i3y h ALA 253 Ca 0.30 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3i3y h ALA 253 Cb -0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3i3y h ALA 253 CO -0.06 0.45 -0.29 -0.07 0.00 0.00 0.00 179.25 179.28 3i3y h LEU 254 N 1.13 0.46 -0.09 0.00 4.07 -1.13 -2.14 115.31 117.61 3i3y h LEU 254 Ca 0.32 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 3i3y h LEU 254 Cb -0.09 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.52 3i3y h LEU 254 CO -0.08 0.74 0.04 0.00 -1.08 0.00 0.00 178.44 178.05 3i3y h ALA 255 N 1.30 0.11 -0.90 1.53 0.00 -0.73 0.11 119.26 120.68 3i3y h ALA 255 Ca 0.05 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3i3y h ALA 255 Cb 0.72 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3i3y h ALA 255 CO 0.05 -0.32 0.60 0.45 0.00 0.00 0.00 179.25 180.04 3i3y h HIS 256 N 0.00 1.13 -0.21 0.00 3.86 -0.98 -2.64 115.15 116.31 3i3y h HIS 256 Ca 0.03 0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 59.12 3i3y h HIS 256 Cb 0.14 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 3i3y h HIS 256 CO -0.03 0.71 -0.48 0.00 0.86 0.00 0.00 177.93 178.99 3i3y h ALA 257 N 1.44 0.78 -0.59 2.45 0.00 -1.01 -1.75 119.26 120.58 3i3y h ALA 257 Ca 0.33 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3i3y h ALA 257 Cb -0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3i3y h ALA 257 CO -0.08 0.67 0.18 0.77 0.00 0.00 0.00 179.25 180.79 3i3y h SER 258 N 0.44 0.82 -0.11 0.00 0.02 -0.45 -0.19 113.55 114.08 3i3y h SER 258 Ca 0.02 -0.14 -0.17 0.00 -0.84 0.00 0.00 61.79 60.67 3i3y h SER 258 Cb 1.00 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 3i3y h SER 258 CO 0.09 0.78 -0.52 0.03 -1.14 0.00 0.00 176.83 176.06 3i3y h ARG 259 N 0.86 0.69 0.20 3.45 3.08 -1.33 -2.34 114.38 118.98 3i3y h ARG 259 Ca 0.19 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 3i3y h ARG 259 Cb 0.26 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3i3y h ARG 259 CO -0.01 1.04 -0.10 0.00 -1.07 0.00 0.00 179.97 179.84 3i3y h ALA 260 N 0.88 -0.27 -0.63 0.04 0.00 -0.80 -3.06 119.26 115.42 3i3y h ALA 260 Ca 0.02 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3i3y h ALA 260 Cb 1.09 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3i3y h ALA 260 CO 0.11 -0.55 0.42 0.00 0.00 0.00 0.00 179.25 179.23 3i3y h ALA 261 N 0.27 1.60 -0.78 0.00 0.00 -1.08 -1.77 119.26 117.49 3i3y h ALA 261 Ca -0.03 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3i3y h ALA 261 Cb 0.37 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3i3y h ALA 261 CO 0.05 0.35 0.52 0.00 0.00 0.00 0.00 179.25 180.16 3i3y h ALA 262 N 1.62 1.54 -0.19 0.00 0.00 -1.33 -1.35 119.26 119.55 3i3y h ALA 262 Ca 0.24 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3i3y h ALA 262 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3i3y h ALA 262 CO -0.06 0.38 -0.08 0.82 0.00 0.00 0.00 179.25 180.31 3i3y h ILE 263 N 0.96 1.30 -0.55 0.00 2.04 -1.24 -2.98 117.51 117.04 3i3y h ILE 263 Ca 0.31 -1.12 0.07 0.00 1.00 0.00 0.00 64.86 65.13 3i3y h ILE 263 Cb 0.06 1.65 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 3i3y h ILE 263 CO -0.09 0.33 0.22 0.74 0.00 0.00 0.00 178.15 179.36 3i3y h THR 264 N 0.07 0.84 0.00 -0.27 2.02 -1.07 -1.96 112.91 112.54 3i3y h THR 264 Ca 0.04 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3i3y h THR 264 Cb 0.55 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3i3y h THR 264 CO 0.03 0.08 0.00 1.33 0.37 0.00 0.00 175.52 177.32 3i3y n VAL 265 N -4.96 0.10 0.56 3.16 0.24 -0.57 -2.69 118.33 114.17 3i3y n VAL 265 Ca 0.06 0.03 0.12 0.00 -2.04 0.00 0.00 64.34 62.51 3i3y n VAL 265 Cb 0.21 -0.58 0.21 0.00 -1.47 0.00 0.00 33.84 32.22 3i3y n VAL 265 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3i3y n SER 266 N -1.26 3.18 -4.44 -1.34 3.41 -0.75 -0.39 113.62 112.03 3i3y n SER 266 Ca 0.14 -1.96 -0.21 0.00 -0.26 0.00 0.00 58.87 56.57 3i3y n SER 266 Cb 0.21 -0.18 -0.11 0.00 -0.26 0.00 0.00 64.21 63.87 3i3y n SER 266 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i3y s ARG 267 N -1.64 1.61 0.14 4.33 0.52 -1.10 -4.81 118.95 118.02 3i3y s ARG 267 Ca 0.36 -1.87 0.05 0.00 -0.52 0.00 0.00 55.73 53.75 3i3y s ARG 267 Cb 0.22 -0.97 -0.04 0.00 0.52 0.00 0.00 34.95 34.67 3i3y s ARG 267 CO 0.31 -0.11 0.06 0.50 0.02 0.00 0.00 175.30 176.09 3i3y s ARG 268 N -3.83 2.69 0.21 3.54 3.52 -1.26 -3.83 118.95 119.98 3i3y s ARG 268 Ca 0.34 -0.91 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 3i3y s ARG 268 Cb 0.07 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.91 3i3y s ARG 268 CO 0.14 0.50 0.00 0.41 -0.81 0.00 0.00 175.30 175.54 3i3y n GLY 269 N -0.01 -1.78 0.00 8.12 0.00 -1.26 -3.30 105.19 106.96 3i3y n GLY 269 Ca -0.09 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3i3y n GLY 269 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i3y n THR 270 N 0.00 0.00 -0.19 2.61 -2.24 -1.26 -4.42 114.28 108.78 3i3y n THR 270 Ca 0.00 0.00 0.26 0.00 -2.27 0.00 0.00 64.05 62.04 3i3y n THR 270 Cb 0.00 -0.05 0.67 0.00 -2.10 0.00 0.00 70.33 68.85 3i3y n THR 270 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3i3y h LEU 271 N 0.00 0.11 -1.05 3.22 5.85 -1.93 0.11 115.31 121.62 3i3y h LEU 271 Ca 0.00 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 3i3y h LEU 271 Cb 0.00 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3i3y h LEU 271 CO 0.00 0.04 0.06 -1.28 -0.34 0.00 0.00 178.44 176.92 3i3y h SER 272 N 0.11 0.69 0.61 1.25 0.87 -1.86 -3.05 113.55 112.16 3i3y h SER 272 Ca 0.43 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 3i3y h SER 272 Cb 1.54 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 3i3y h SER 272 CO -0.06 0.73 -0.32 0.00 -0.53 0.00 0.00 176.83 176.64 3i3y n ALA 273 N -2.47 3.14 -1.77 6.23 0.00 0.37 -4.94 120.51 121.08 3i3y n ALA 273 Ca 0.03 -0.28 -0.39 0.00 0.00 0.00 0.00 53.44 52.80 3i3y n ALA 273 Cb 0.25 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 3i3y n ALA 273 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3i3y s PHE 274 N -2.93 3.44 0.65 0.00 0.08 -1.11 -4.06 117.98 114.04 3i3y s PHE 274 Ca 0.14 1.67 -0.18 0.00 0.12 0.00 0.00 56.93 58.68 3i3y s PHE 274 Cb 0.18 -3.26 -0.02 0.00 -0.57 0.00 0.00 43.02 39.35 3i3y s PHE 274 CO 0.63 -0.67 1.17 -0.35 -0.10 0.00 0.00 175.22 175.90 3i3y n PRO 275 N 0.76 0.98 -2.33 0.24 -0.04 -1.26 -4.99 135.00 128.36 3i3y n PRO 275 Ca 0.01 0.39 -0.24 0.00 -0.04 0.00 0.00 63.50 63.61 3i3y n PRO 275 Cb 0.46 -2.40 0.07 0.00 -0.04 0.00 0.00 33.50 31.59 3i3y n PRO 275 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3i3y s GLY 276 N -1.38 1.73 0.21 0.55 0.00 -1.26 -4.81 107.32 102.37 3i3y s GLY 276 Ca 0.80 -1.09 -0.10 0.00 0.00 0.00 0.00 44.72 44.33 3i3y s GLY 276 CO 0.43 -0.70 1.72 1.76 0.00 0.00 0.00 173.10 176.31 3i3y h SER 277 N -0.45 0.10 -0.52 1.64 0.02 -1.95 0.35 113.55 112.74 3i3y h SER 277 Ca -0.43 0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 60.51 3i3y h SER 277 Cb 1.31 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.94 3i3y h SER 277 CO 0.56 0.06 -0.09 0.03 -1.14 0.00 0.00 176.83 176.25 3i3y h ARG 278 N 0.32 1.00 -0.19 3.45 3.08 -1.94 -0.55 114.38 119.54 3i3y h ARG 278 Ca 0.31 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3i3y h ARG 278 Cb 0.44 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3i3y h ARG 278 CO -0.36 1.03 0.03 0.93 -1.07 0.00 0.00 179.97 180.53 3i3y h GLU 279 N 0.89 0.32 -0.23 0.04 5.08 -1.73 -1.14 114.58 117.81 3i3y h GLU 279 Ca 0.14 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3i3y h GLU 279 Cb 0.65 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 3i3y h GLU 279 CO 0.04 0.48 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.41 3i3y h LEU 280 N 0.11 -0.20 -0.52 1.33 -0.00 -0.18 -0.79 115.31 115.06 3i3y h LEU 280 Ca 0.06 0.07 0.01 0.00 -0.00 0.00 0.00 57.88 58.01 3i3y h LEU 280 Cb 0.31 0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 41.08 3i3y h LEU 280 CO 0.00 -0.07 0.34 0.00 -0.00 0.00 0.00 178.44 178.71 3i3y h ALA 281 N 1.23 0.66 -0.98 1.53 0.00 -0.98 0.99 119.26 121.71 3i3y h ALA 281 Ca 0.11 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3i3y h ALA 281 Cb 0.17 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3i3y h ALA 281 CO -0.23 0.09 0.65 0.00 0.00 0.00 0.00 179.25 179.75 3i3y h ALA 282 N 1.19 1.26 -0.08 0.00 0.00 -0.88 -2.86 119.26 117.88 3i3y h ALA 282 Ca 0.19 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3i3y h ALA 282 Cb -0.07 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.34 3i3y h ALA 282 CO -0.05 0.60 -0.31 1.25 0.00 0.00 0.00 179.25 180.74 3i3y h LEU 283 N 1.29 0.42 0.00 0.00 6.46 -0.09 -3.24 115.31 120.15 3i3y h LEU 283 Ca 0.37 -0.62 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 3i3y h LEU 283 Cb -0.10 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 39.71 3i3y h LEU 283 CO -0.09 0.97 0.00 0.18 -0.62 0.00 0.00 178.44 178.87 3i3y n LEU 284 N -4.43 0.00 0.00 2.25 4.77 0.33 -4.98 117.00 114.95 3i3y n LEU 284 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3i3y n LEU 284 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3i3y n LEU 284 CO 0.42 0.00 0.06 0.41 -1.33 0.00 0.00 177.39 176.95