#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 2.56 -0.14 1.47 1.70 -1.26 -4.74 118.95 118.54 3i3y s ARG 2 Ca 0.00 -1.38 -0.05 0.00 -0.47 0.00 0.00 55.73 53.84 3i3y s ARG 2 Cb 0.00 -2.33 -0.04 0.00 -0.57 0.00 0.00 34.95 32.02 3i3y s ARG 2 CO 0.00 0.18 0.03 0.08 -1.08 0.00 0.00 175.30 174.51 3i3y s VAL 3 N -2.33 4.52 -0.25 4.99 1.01 -0.90 -0.86 120.40 126.58 3i3y s VAL 3 Ca 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 3i3y s VAL 3 Cb -0.05 -2.98 0.03 0.00 0.00 0.00 0.00 36.38 33.38 3i3y s VAL 3 CO 0.24 0.53 -0.07 -0.31 0.00 0.00 0.00 175.10 175.50 3i3y s TYR 4 N -0.21 3.07 -0.25 5.22 1.51 0.13 -0.93 117.35 125.90 3i3y s TYR 4 Ca 0.06 -1.58 -0.08 0.00 -1.01 0.00 0.00 57.07 54.47 3i3y s TYR 4 Cb -0.12 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 3i3y s TYR 4 CO 0.02 -0.74 0.08 0.08 -1.11 0.00 0.00 175.55 173.88 3i3y s VAL 5 N 1.32 4.42 -0.47 0.71 1.01 -0.09 -1.04 120.40 126.26 3i3y s VAL 5 Ca -0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 3i3y s VAL 5 Cb -0.17 -3.07 0.12 0.00 0.00 0.00 0.00 36.38 33.27 3i3y s VAL 5 CO -0.05 0.34 0.27 0.42 0.00 0.00 0.00 175.10 176.08 3i3y s THR 6 N 1.57 3.44 0.00 3.92 -4.23 -1.08 0.20 115.64 119.46 3i3y s THR 6 Ca 0.06 -2.27 0.00 0.00 -1.18 0.00 0.00 61.69 58.30 3i3y s THR 6 Cb -0.15 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.36 3i3y s THR 6 CO 0.04 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 173.99 3i3y n GLY 7 N 4.33 4.59 3.48 3.99 0.00 -1.18 -4.38 105.19 116.03 3i3y n GLY 7 Ca -0.00 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 1.50 3.63 -0.07 1.61 6.03 -1.05 -4.45 114.94 122.15 3i3y s ASN 8 Ca 0.00 -1.05 0.03 0.00 -1.03 0.00 0.00 52.86 50.81 3i3y s ASN 8 Cb 0.00 -0.31 0.00 0.00 -3.03 0.00 0.00 41.25 37.91 3i3y s ASN 8 CO 0.00 0.00 -0.17 -0.63 -2.03 0.00 0.00 177.10 174.27 3i3y s ILE 9 N -2.52 1.49 0.27 0.54 1.01 -1.26 -2.82 121.20 117.90 3i3y s ILE 9 Ca 0.30 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.27 3i3y s ILE 9 Cb -0.04 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 3i3y s ILE 9 CO 0.15 0.43 0.16 0.42 0.00 0.00 0.00 174.94 176.10 3i3y s THR 10 N 0.36 0.21 -0.24 2.92 -4.23 0.52 -4.32 115.64 110.86 3i3y s THR 10 Ca -0.12 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.34 3i3y s THR 10 Cb -0.15 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 3i3y s THR 10 CO 0.05 0.00 0.00 -0.69 -0.54 0.00 0.00 174.62 173.44 3i3y s VAL 11 N -3.79 3.66 -0.20 2.29 1.01 -1.13 0.91 120.40 123.15 3i3y s VAL 11 Ca 0.38 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.68 3i3y s VAL 11 Cb 0.06 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 3i3y s VAL 11 CO 0.16 0.34 0.63 -1.81 0.00 0.00 0.00 175.10 174.42 3i3y s ASP 12 N 1.51 6.67 -0.28 3.32 1.11 0.35 -1.84 116.67 127.51 3i3y s ASP 12 Ca 0.05 0.82 -0.03 0.00 0.18 0.00 0.00 52.55 53.57 3i3y s ASP 12 Cb -0.15 -2.35 0.03 0.00 1.07 0.00 0.00 42.92 41.52 3i3y s ASP 12 CO -0.01 -0.28 -0.01 -1.61 1.18 0.00 0.00 175.17 174.44 3i3y s GLU 13 N 1.97 2.77 -0.31 8.23 2.02 -0.52 -0.54 118.70 132.32 3i3y s GLU 13 Ca 0.28 -1.04 -0.12 0.00 0.02 0.00 0.00 54.97 54.12 3i3y s GLU 13 Cb -0.16 -3.14 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 3i3y s GLU 13 CO 0.10 -0.48 0.21 0.99 0.02 0.00 0.00 175.26 176.10 3i3y s THR 14 N 1.35 5.21 -0.24 3.63 2.01 -0.10 -1.58 115.64 125.91 3i3y s THR 14 Ca -0.01 -0.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.83 3i3y s THR 14 Cb -0.18 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3i3y s THR 14 CO -0.02 0.11 0.11 0.26 -0.69 0.00 0.00 174.62 174.39 3i3y s TRP 15 N 1.73 3.17 -0.19 4.92 0.52 -0.16 -0.63 118.94 128.30 3i3y s TRP 15 Ca 0.06 -0.11 -0.19 0.00 0.02 0.00 0.00 56.10 55.88 3i3y s TRP 15 Cb -0.17 -2.25 -0.03 0.00 -1.15 0.00 0.00 33.47 29.87 3i3y s TRP 15 CO 0.10 -0.17 0.56 0.45 0.02 0.00 0.00 176.95 177.92 3i3y s SER 16 N 1.37 6.62 0.27 2.95 0.15 0.89 0.18 113.70 126.13 3i3y s SER 16 Ca 0.06 0.75 0.02 0.00 0.70 0.00 0.00 55.95 57.47 3i3y s SER 16 Cb -0.15 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.80 3i3y s SER 16 CO 0.05 -0.21 0.12 0.27 1.20 0.00 0.00 173.24 174.68 3i3y s ILE 17 N 1.69 0.41 -0.05 6.45 -4.36 -0.87 -0.16 121.20 124.31 3i3y s ILE 17 Ca 0.26 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.66 3i3y s ILE 17 Cb -0.16 -2.58 -0.26 0.00 1.25 0.00 0.00 42.46 40.72 3i3y s ILE 17 CO 0.10 0.00 0.65 1.55 0.24 0.00 0.00 174.94 177.48 3i3y h PRO 18 N 2.35 0.17 -1.94 0.37 0.13 -1.82 -3.32 132.00 127.94 3i3y h PRO 18 Ca -0.36 -0.28 -0.03 0.00 -0.87 0.00 0.00 66.00 64.45 3i3y h PRO 18 Cb 1.25 0.11 -0.21 0.00 0.13 0.00 0.00 31.00 32.28 3i3y h PRO 18 CO 0.57 0.94 0.21 0.34 -0.23 0.00 0.00 178.00 179.82 3i3y s ASP 19 N -6.70 -0.66 0.18 1.44 3.68 -1.25 -4.47 116.67 108.88 3i3y s ASP 19 Ca -0.12 1.03 -0.33 0.00 2.13 0.00 0.00 52.55 55.26 3i3y s ASP 19 Cb 0.07 0.95 -0.15 0.00 -1.45 0.00 0.00 42.92 42.34 3i3y s ASP 19 CO 0.82 -0.40 1.20 -0.38 0.13 0.00 0.00 175.17 176.54 3i3y n ILE 20 N 1.77 0.86 -2.14 4.11 2.08 -1.26 -4.86 119.36 119.92 3i3y n ILE 20 Ca -0.16 -0.22 -0.42 0.00 0.56 0.00 0.00 62.75 62.52 3i3y n ILE 20 Cb 0.56 -0.93 -0.03 0.00 -0.75 0.00 0.00 39.64 38.49 3i3y n ILE 20 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3i3y s PRO 21 N -0.35 4.33 0.26 0.38 0.04 -1.26 -4.98 135.00 133.42 3i3y s PRO 21 Ca 0.73 2.13 -0.21 0.00 0.04 0.00 0.00 61.00 63.69 3i3y s PRO 21 Cb -0.83 -3.19 -0.09 0.00 0.04 0.00 0.00 34.50 30.43 3i3y s PRO 21 CO 0.52 -0.37 0.79 0.15 0.04 0.00 0.00 177.00 178.13 3i3y s LYS 22 N 0.33 4.34 0.18 4.56 1.02 -1.26 -4.94 119.74 123.98 3i3y s LYS 22 Ca 0.61 1.00 -0.30 0.00 0.02 0.00 0.00 55.97 57.30 3i3y s LYS 22 Cb -0.38 -2.83 -0.17 0.00 -0.52 0.00 0.00 37.83 33.93 3i3y s LYS 22 CO 0.36 0.35 0.80 1.63 -0.92 0.00 0.00 175.35 177.57 3i3y n LYS 23 N 0.63 0.45 0.00 1.68 5.02 -1.26 -0.85 118.16 123.83 3i3y n LYS 23 Ca -0.01 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 3i3y n LYS 23 Cb 0.51 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 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 1.78 3.24 3.89 0.72 0.00 -1.26 -5.03 105.19 108.53 3i3y n GLY 24 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.13 3.78 -0.28 4.61 0.00 -0.03 -5.08 121.76 122.63 3i3y s ALA 25 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.45 3i3y s ALA 25 Cb 0.00 -2.16 0.08 0.00 0.00 0.00 0.00 23.12 21.04 3i3y s ALA 25 CO 0.00 0.65 0.02 -1.54 0.00 0.00 0.00 175.76 174.89 3i3y s SER 26 N -2.23 4.00 0.32 0.00 1.04 -1.26 -4.72 113.70 110.85 3i3y s SER 26 Ca 0.38 -1.48 0.04 0.00 0.48 0.00 0.00 55.95 55.38 3i3y s SER 26 Cb -0.13 -1.12 0.05 0.00 0.10 0.00 0.00 66.02 64.93 3i3y s SER 26 CO 0.22 -0.33 0.41 2.30 0.98 0.00 0.00 173.24 176.83 3i3y n ILE 27 N 4.68 0.00 -4.91 -1.02 -5.35 -1.26 -5.12 119.36 106.37 3i3y n ILE 27 Ca -0.05 -0.96 -0.33 0.00 -0.27 0.00 0.00 62.75 61.14 3i3y n ILE 27 Cb 0.43 -0.80 -0.14 0.00 -1.74 0.00 0.00 39.64 37.39 3i3y n ILE 27 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3i3y s HIS 28 N -0.88 2.71 0.33 4.28 5.65 -1.26 -5.12 115.29 120.99 3i3y s HIS 28 Ca 0.31 -0.51 0.04 0.00 0.25 0.00 0.00 55.06 55.14 3i3y s HIS 28 Cb -0.02 -1.73 -0.04 0.00 -1.18 0.00 0.00 32.58 29.61 3i3y s HIS 28 CO 0.20 -0.09 0.16 0.20 -0.65 0.00 0.00 174.74 174.56 3i3y s GLY 29 N -0.09 2.19 -0.13 1.59 0.00 -1.26 -4.61 107.32 105.00 3i3y s GLY 29 Ca -0.03 -1.69 -0.01 0.00 0.00 0.00 0.00 44.72 42.99 3i3y s GLY 29 CO 0.04 -1.64 -0.03 0.14 0.00 0.00 0.00 173.10 171.61 3i3y s VAL 30 N -3.50 0.79 -0.22 1.40 1.01 0.77 -4.95 120.40 115.70 3i3y s VAL 30 Ca 0.34 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 3i3y s VAL 30 Cb 0.05 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 3i3y s VAL 30 CO 0.17 0.18 1.65 -0.54 0.00 0.00 0.00 175.10 176.56 3i3y s LYS 31 N 1.78 3.76 0.00 2.72 1.02 -1.26 -0.07 119.74 127.69 3i3y s LYS 31 Ca 0.03 1.68 0.11 0.00 0.02 0.00 0.00 55.97 57.80 3i3y s LYS 31 Cb -0.14 -4.05 0.11 0.00 -0.52 0.00 0.00 37.83 33.23 3i3y s LYS 31 CO -0.07 -1.33 0.90 1.33 -0.92 0.00 0.00 175.35 175.25 3i3y n VAL 32 N 6.47 0.13 -3.63 3.17 0.24 0.20 -4.95 118.33 119.97 3i3y n VAL 32 Ca 0.19 -0.57 -0.04 0.00 -2.04 0.00 0.00 64.34 61.89 3i3y n VAL 32 Cb 0.45 1.13 -0.05 0.00 -1.47 0.00 0.00 33.84 33.90 3i3y n VAL 32 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i3y s SER 33 N -0.92 -0.11 -0.16 -1.34 0.15 -1.21 -4.96 113.70 105.16 3i3y s SER 33 Ca 0.14 0.14 -0.04 0.00 0.70 0.00 0.00 55.95 56.89 3i3y s SER 33 Cb 0.09 0.12 0.07 0.00 -1.71 0.00 0.00 66.02 64.59 3i3y s SER 33 CO 0.14 -0.08 0.17 -1.58 1.20 0.00 0.00 173.24 173.09 3i3y s GLN 34 N -0.78 0.11 0.24 5.44 0.74 -1.25 -0.93 119.66 123.24 3i3y s GLN 34 Ca 0.07 0.23 0.01 0.00 0.05 0.00 0.00 55.36 55.71 3i3y s GLN 34 Cb -0.02 -1.11 -0.03 0.00 1.10 0.00 0.00 33.01 32.95 3i3y s GLN 34 CO -0.08 -0.56 0.20 0.34 -0.55 0.00 0.00 175.29 174.64 3i3y s ASP 35 N 2.27 0.57 0.13 6.67 -1.08 0.30 -4.95 116.67 120.58 3i3y s ASP 35 Ca 0.05 -1.47 -0.24 0.00 -0.52 0.00 0.00 52.55 50.37 3i3y s ASP 35 Cb -0.15 0.45 -0.07 0.00 -1.46 0.00 0.00 42.92 41.68 3i3y s ASP 35 CO -0.09 -0.93 0.73 -0.63 0.52 0.00 0.00 175.17 174.77 3i3y s ILE 36 N -3.93 4.49 0.00 4.11 1.09 -1.26 0.13 121.20 125.83 3i3y s ILE 36 Ca 0.38 1.59 0.00 0.00 -1.10 0.00 0.00 60.65 61.52 3i3y s ILE 36 Cb 0.05 -4.08 0.00 0.00 -1.06 0.00 0.00 42.46 37.37 3i3y s ILE 36 CO 0.16 0.51 0.00 0.61 -0.10 0.00 0.00 174.94 176.12 3i3y n GLY 37 N 1.72 3.72 0.00 6.18 0.00 0.26 -2.48 105.19 114.60 3i3y n GLY 37 Ca -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 2.51 3.77 -0.02 0.00 -1.26 -0.35 105.19 109.84 3i3y n GLY 38 Ca 0.00 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 3i3y n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3y s LYS 39 N -5.09 3.92 0.00 1.61 -0.14 -1.26 0.22 119.74 119.00 3i3y s LYS 39 Ca 0.00 2.22 0.00 0.00 -1.36 0.00 0.00 55.97 56.83 3i3y s LYS 39 Cb 0.00 -2.74 0.00 0.00 -1.68 0.00 0.00 37.83 33.41 3i3y s LYS 39 CO 0.00 -0.55 0.00 0.41 -0.76 0.00 0.00 175.35 174.45 3i3y n GLY 40 N 0.65 2.18 0.08 -3.33 0.00 -1.26 -2.53 105.19 100.98 3i3y n GLY 40 Ca 0.04 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 3i3y n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3y h ALA 41 N 0.00 -0.08 -0.40 4.61 0.00 -1.28 0.23 119.26 122.34 3i3y h ALA 41 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3i3y h ALA 41 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3i3y h ALA 41 CO 0.00 -0.26 0.25 -0.91 0.00 0.00 0.00 179.25 178.33 3i3y h ASN 42 N -0.64 0.41 -0.39 0.00 2.35 -0.47 -0.97 115.58 115.88 3i3y h ASN 42 Ca -0.01 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 3i3y h ASN 42 Cb 0.55 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3i3y h ASN 42 CO 0.01 0.30 -0.03 1.56 -1.65 0.00 0.00 177.43 177.62 3i3y h GLN 43 N 0.50 0.70 -0.74 0.81 4.20 -1.78 -2.09 115.11 116.72 3i3y h GLN 43 Ca 0.15 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 3i3y h GLN 43 Cb -0.03 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 3i3y h GLN 43 CO -0.05 0.81 0.24 0.00 -0.67 0.00 0.00 178.83 179.16 3i3y h ALA 44 N 0.86 0.97 0.63 3.87 0.00 -0.39 -0.82 119.26 124.38 3i3y h ALA 44 Ca 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3i3y h ALA 44 Cb 0.52 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.03 3i3y h ALA 44 CO 0.03 0.65 -0.30 0.82 0.00 0.00 0.00 179.25 180.44 3i3y h ILE 45 N 1.09 0.35 -0.01 0.00 2.04 -1.10 -0.01 117.51 119.88 3i3y h ILE 45 Ca 0.24 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.97 3i3y h ILE 45 Cb 0.30 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3i3y h ILE 45 CO -0.01 0.02 0.00 0.40 0.00 0.00 0.00 178.15 178.56 3i3y h ILE 46 N -0.93 1.00 0.06 -0.67 2.04 -1.35 0.06 117.51 117.72 3i3y h ILE 46 Ca -0.09 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3i3y h ILE 46 Cb 0.67 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3i3y h ILE 46 CO 0.14 0.00 -0.03 0.25 0.00 0.00 0.00 178.15 178.51 3i3y h LEU 47 N 0.00 -0.07 -0.93 1.44 5.85 -0.88 -2.62 115.31 118.11 3i3y h LEU 47 Ca 0.00 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 58.29 3i3y h LEU 47 Cb 0.01 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3i3y h LEU 47 CO -0.00 0.31 -0.29 -1.28 -0.34 0.00 0.00 178.44 176.84 3i3y h SER 48 N -0.45 0.44 0.69 1.25 0.87 -0.37 -2.28 113.55 113.69 3i3y h SER 48 Ca -0.01 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 3i3y h SER 48 Cb 0.40 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3i3y h SER 48 CO 0.01 0.72 0.00 0.54 -0.53 0.00 0.00 176.83 177.57 3i3y n ARG 49 N -4.10 0.19 0.06 2.24 1.74 -0.05 -1.19 116.66 115.55 3i3y n ARG 49 Ca -0.01 0.43 0.12 0.00 -0.77 0.00 0.00 57.85 57.63 3i3y n ARG 49 Cb 0.42 -1.87 0.24 0.00 -1.02 0.00 0.00 32.46 30.23 3i3y n ARG 49 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i3y n GLY 51 N 1.36 0.84 3.76 0.00 0.00 -0.33 -4.91 105.19 105.90 3i3y n GLY 51 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 4.83 -0.28 -0.61 1.09 -1.18 -4.97 121.20 118.08 3i3y s ILE 52 Ca 0.00 1.40 -0.28 0.00 -1.10 0.00 0.00 60.65 60.67 3i3y s ILE 52 Cb 0.00 -4.01 -0.03 0.00 -1.06 0.00 0.00 42.46 37.37 3i3y s ILE 52 CO 0.00 0.40 1.88 -0.70 -0.10 0.00 0.00 174.94 176.42 3i3y s GLU 53 N -0.16 3.36 0.18 2.79 2.12 -1.26 -4.01 118.70 121.71 3i3y s GLU 53 Ca 0.34 1.62 0.10 0.00 0.36 0.00 0.00 54.97 57.39 3i3y s GLU 53 Cb -0.19 -4.22 -0.04 0.00 0.26 0.00 0.00 34.13 29.94 3i3y s GLU 53 CO 0.20 -1.83 -0.16 0.99 -0.54 0.00 0.00 175.26 173.92 3i3y s THR 54 N 6.96 2.84 -0.12 -1.70 2.01 -1.26 -2.13 115.64 122.24 3i3y s THR 54 Ca 0.84 -1.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 3i3y s THR 54 Cb -0.26 -2.38 0.05 0.00 0.01 0.00 0.00 72.50 69.93 3i3y s THR 54 CO 0.34 -0.08 0.06 -0.60 -0.69 0.00 0.00 174.62 173.65 3i3y s ARG 55 N -2.67 0.14 -0.12 4.92 3.52 -0.10 -4.84 118.95 119.80 3i3y s ARG 55 Ca 0.22 0.04 -0.21 0.00 -0.13 0.00 0.00 55.73 55.65 3i3y s ARG 55 Cb -0.09 -1.36 -0.03 0.00 -1.56 0.00 0.00 34.95 31.91 3i3y s ARG 55 CO 0.12 -0.52 0.63 -1.17 -0.81 0.00 0.00 175.30 173.55 3i3y s LEU 56 N 2.10 4.26 -0.45 -0.88 2.96 -1.26 -0.91 118.68 124.48 3i3y s LEU 56 Ca 0.03 1.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.97 3i3y s LEU 56 Cb -0.14 -2.94 0.12 0.00 0.50 0.00 0.00 46.19 43.73 3i3y s LEU 56 CO -0.07 -0.14 0.19 -0.63 -1.32 0.00 0.00 176.35 174.39 3i3y s ILE 57 N 1.09 2.61 0.16 6.68 1.01 0.13 -0.71 121.20 132.17 3i3y s ILE 57 Ca 0.32 -2.85 -0.04 0.00 0.00 0.00 0.00 60.65 58.09 3i3y s ILE 57 Cb -0.16 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 3i3y s ILE 57 CO 0.14 -0.72 0.16 0.00 0.00 0.00 0.00 174.94 174.51 3i3y s ALA 58 N 0.27 0.59 -0.06 9.38 0.00 -0.26 -3.08 121.76 128.60 3i3y s ALA 58 Ca 0.14 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 3i3y s ALA 58 Cb -0.23 0.96 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 3i3y s ALA 58 CO -0.04 -0.57 0.07 0.00 0.00 0.00 0.00 175.76 175.22 3i3y s ALA 59 N -4.04 3.55 0.07 0.00 0.00 -1.26 -4.06 121.76 116.03 3i3y s ALA 59 Ca 0.24 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.46 3i3y s ALA 59 Cb 0.06 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 3i3y s ALA 59 CO 0.03 0.64 -0.14 0.95 0.00 0.00 0.00 175.76 177.24 3i3y s THR 60 N -1.05 1.14 0.37 0.00 -4.23 -1.26 -4.46 115.64 106.14 3i3y s THR 60 Ca 0.18 -1.31 0.07 0.00 -1.18 0.00 0.00 61.69 59.45 3i3y s THR 60 Cb -0.12 -1.09 -0.01 0.00 1.34 0.00 0.00 72.50 72.62 3i3y s THR 60 CO 0.08 -0.21 0.41 -0.83 -0.54 0.00 0.00 174.62 173.53 3i3y s GLY 61 N -1.73 1.87 0.00 3.99 0.00 -0.83 -1.23 107.32 109.39 3i3y s GLY 61 Ca -0.02 -1.68 -0.03 0.00 0.00 0.00 0.00 44.72 43.00 3i3y s GLY 61 CO 0.02 -1.55 2.25 1.16 0.00 0.00 0.00 173.10 174.99 3i3y n ASN 62 N -1.58 3.67 -4.72 1.64 0.23 -0.36 -4.23 115.26 109.91 3i3y n ASN 62 Ca 0.02 -2.12 -0.19 0.00 -0.53 0.00 0.00 54.58 51.77 3i3y n ASN 62 Cb 0.60 -0.92 0.07 0.00 -2.08 0.00 0.00 39.78 37.44 3i3y n ASN 62 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3i3y n ASP 63 N 2.32 1.91 0.11 0.53 -0.08 -1.26 -4.98 116.55 115.09 3i3y n ASP 63 Ca 0.20 -2.41 -0.21 0.00 -1.51 0.00 0.00 54.79 50.86 3i3y n ASP 63 Cb 0.54 -0.42 -0.15 0.00 2.34 0.00 0.00 41.12 43.43 3i3y n ASP 63 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 3i3y h SER 64 N 0.02 0.63 -0.18 1.67 0.87 -1.99 -2.92 113.55 111.65 3i3y h SER 64 Ca -0.26 -0.75 -0.10 0.00 -1.23 0.00 0.00 61.79 59.44 3i3y h SER 64 Cb 1.17 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 3i3y h SER 64 CO 0.36 1.61 -0.23 0.78 -0.53 0.00 0.00 176.83 178.82 3i3y h ASN 65 N 0.11 0.63 0.66 6.23 2.35 -1.96 -1.23 115.58 122.39 3i3y h ASN 65 Ca -0.25 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.26 3i3y h ASN 65 Cb 2.09 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 40.28 3i3y h ASN 65 CO 0.22 0.85 -0.44 1.23 -1.65 0.00 0.00 177.43 177.64 3i3y h GLY 66 N 1.00 -1.18 -0.02 2.83 0.00 -1.73 0.60 103.07 104.57 3i3y h GLY 66 Ca 0.08 0.50 0.15 0.00 0.00 0.00 0.00 47.33 48.05 3i3y h GLY 66 CO 0.05 -0.40 0.14 0.00 0.00 0.00 0.00 176.54 176.33 3i3y h ALA 67 N -0.86 0.85 -0.44 3.60 0.00 -1.37 0.32 119.26 121.37 3i3y h ALA 67 Ca -0.08 0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3i3y h ALA 67 Cb 0.86 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3i3y h ALA 67 CO 0.06 -0.34 0.26 2.35 0.00 0.00 0.00 179.25 181.58 3i3y h TRP 68 N 0.25 0.48 0.45 0.00 7.01 -0.63 -0.65 115.95 122.87 3i3y h TRP 68 Ca 0.38 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.39 3i3y h TRP 68 Cb 0.63 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.51 3i3y h TRP 68 CO -0.28 0.28 -0.40 0.82 -2.79 0.00 0.00 178.44 176.08 3i3y h ILE 69 N 0.52 0.20 -0.88 2.65 2.04 0.35 -0.57 117.51 121.82 3i3y h ILE 69 Ca 0.17 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.20 3i3y h ILE 69 Cb 0.01 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 36.22 3i3y h ILE 69 CO -0.08 0.00 0.57 0.03 0.00 0.00 0.00 178.15 178.67 3i3y h ARG 70 N -0.85 0.54 -0.21 2.37 3.08 -0.29 -1.09 114.38 117.93 3i3y h ARG 70 Ca -0.04 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.77 3i3y h ARG 70 Cb 0.74 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3i3y h ARG 70 CO -0.03 0.36 -0.66 0.37 -1.07 0.00 0.00 179.97 178.93 3i3y h GLN 71 N 0.55 0.79 -0.29 0.04 4.15 -0.63 -1.02 115.11 118.70 3i3y h GLN 71 Ca 0.45 -0.57 -0.10 0.00 0.77 0.00 0.00 58.65 59.21 3i3y h GLN 71 Cb 0.90 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 3i3y h GLN 71 CO -0.19 1.19 -0.23 1.96 -1.93 0.00 0.00 178.83 179.62 3i3y h GLN 72 N 0.57 0.54 0.02 1.69 1.08 0.05 -3.08 115.11 115.98 3i3y h GLN 72 Ca -0.02 -0.20 -0.25 0.00 -1.45 0.00 0.00 58.65 56.73 3i3y h GLN 72 Cb 1.27 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.63 3i3y h GLN 72 CO 0.14 0.74 -1.30 0.82 -0.95 0.00 0.00 178.83 178.28 3i3y h ILE 73 N 0.48 1.36 -0.23 2.54 2.04 -1.28 -3.23 117.51 119.20 3i3y h ILE 73 Ca 0.07 -3.11 0.07 0.00 1.00 0.00 0.00 64.86 62.89 3i3y h ILE 73 Cb 0.66 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 3i3y h ILE 73 CO 0.05 0.80 0.24 0.50 0.00 0.00 0.00 178.15 179.74 3i3y h LYS 74 N 0.01 0.00 -1.88 2.37 3.64 -1.09 -1.49 116.57 118.13 3i3y h LYS 74 Ca -0.13 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.53 3i3y h LYS 74 Cb 1.88 0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 33.39 3i3y h LYS 74 CO 0.12 0.00 0.61 0.09 -2.27 0.00 0.00 179.45 178.00 3i3y n ASN 75 N -3.83 6.82 -4.00 4.20 3.02 -1.22 -4.92 115.26 115.33 3i3y n ASN 75 Ca 0.03 -3.81 -0.09 0.00 -0.03 0.00 0.00 54.58 50.68 3i3y n ASN 75 Cb 0.38 -0.92 -0.08 0.00 -0.61 0.00 0.00 39.78 38.55 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 -3.94 0.87 0.00 3.52 0.41 -0.56 -5.01 118.70 113.98 3i3y s GLU 76 Ca 0.51 -1.17 0.00 0.00 -0.41 0.00 0.00 54.97 53.90 3i3y s GLU 76 Cb 0.43 0.29 0.00 0.00 -1.78 0.00 0.00 34.13 33.07 3i3y s GLU 76 CO -0.36 -0.26 0.64 -0.35 -0.49 0.00 0.00 175.26 174.44 3i3y n PRO 77 N -0.06 0.96 0.00 0.39 -0.04 -1.26 -5.05 135.00 129.94 3i3y n PRO 77 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 3i3y n PRO 77 Cb 0.62 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.15 0.00 -3.40 1.53 7.94 -1.26 -4.79 117.00 116.87 3i3y n LEU 78 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 3i3y n LEU 78 Cb 0.16 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.07 3i3y n LEU 78 CO 0.00 0.00 0.67 -0.22 -1.11 0.00 0.00 177.39 176.73 3i3y s LEU 80 N 0.00 -0.48 0.09 -1.96 2.96 -1.26 -4.80 118.68 113.22 3i3y s LEU 80 Ca 0.00 0.68 0.10 0.00 -0.22 0.00 0.00 54.13 54.68 3i3y s LEU 80 Cb 0.00 1.57 -0.04 0.00 0.50 0.00 0.00 46.19 48.22 3i3y s LEU 80 CO 0.00 -0.10 -0.26 -0.76 -1.32 0.00 0.00 176.35 173.92 3i3y s LEU 81 N 2.26 2.31 0.00 -0.68 1.43 0.11 -4.41 118.68 119.70 3i3y s LEU 81 Ca -0.03 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 3i3y s LEU 81 Cb -0.05 -1.29 0.00 0.00 0.03 0.00 0.00 46.19 44.88 3i3y s LEU 81 CO -0.17 0.21 0.00 -0.81 0.23 0.00 0.00 176.35 175.82 3i3y n PRO 82 N 1.27 -0.28 0.04 1.29 -0.04 -1.26 -1.10 135.00 134.93 3i3y n PRO 82 Ca -0.17 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.18 3i3y n PRO 82 Cb 0.52 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.91 3i3y n PRO 82 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3i3y h ASP 83 N -0.52 -0.16 -0.68 3.54 3.32 -1.97 -3.47 116.42 116.47 3i3y h ASP 83 Ca 0.00 -0.39 -0.50 0.00 0.02 0.00 0.00 57.03 56.16 3i3y h ASP 83 Cb 0.00 0.04 0.03 0.00 0.22 0.00 0.00 39.33 39.62 3i3y h ASP 83 CO 0.00 0.41 -0.08 -0.83 -1.72 0.00 0.00 179.24 177.02 3i3y s GLY 84 N -3.32 1.72 0.57 2.75 0.00 -1.26 -5.13 107.32 102.65 3i3y s GLY 84 Ca -0.13 -2.19 -0.01 0.00 0.00 0.00 0.00 44.72 42.40 3i3y s GLY 84 CO 0.49 -1.73 0.81 -2.38 0.00 0.00 0.00 173.10 170.29 3i3y s HIS 85 N -2.72 2.93 0.06 1.90 -3.43 -1.26 -4.86 115.29 107.92 3i3y s HIS 85 Ca 0.62 0.13 0.00 0.00 -0.80 0.00 0.00 55.06 55.01 3i3y s HIS 85 Cb -0.05 -2.78 -0.04 0.00 -1.43 0.00 0.00 32.58 28.28 3i3y s HIS 85 CO 0.39 -0.90 0.19 -0.06 -2.00 0.00 0.00 174.74 172.36 3i3y s PHE 86 N -2.83 3.48 -0.35 0.38 0.40 -0.36 -4.90 117.98 113.79 3i3y s PHE 86 Ca 0.57 0.23 -0.03 0.00 -0.60 0.00 0.00 56.93 57.10 3i3y s PHE 86 Cb -0.10 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 3i3y s PHE 86 CO 0.40 0.58 1.52 0.27 0.70 0.00 0.00 175.22 178.68 3i3y n ASN 87 N 0.30 2.25 -2.55 1.36 2.04 -1.26 -2.73 115.26 114.66 3i3y n ASN 87 Ca -0.05 -2.07 -0.09 0.00 -0.44 0.00 0.00 54.58 51.93 3i3y n ASN 87 Cb 0.51 -0.70 0.01 0.00 -2.53 0.00 0.00 39.78 37.07 3i3y n ASN 87 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3i3y n GLN 88 N 4.18 0.87 0.00 -3.83 6.02 -1.26 -4.98 117.38 118.38 3i3y n GLN 88 Ca 0.20 -2.01 0.00 0.00 -0.01 0.00 0.00 57.00 55.18 3i3y n GLN 88 Cb 0.11 2.33 0.00 0.00 1.02 0.00 0.00 30.24 33.71 3i3y n GLN 88 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3i3y n HIS 89 N -0.46 -0.15 -4.07 1.08 8.25 -1.26 -1.23 115.22 117.38 3i3y n HIS 89 Ca -0.05 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.20 3i3y n HIS 89 Cb 0.50 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.44 3i3y n HIS 89 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3i3y s SER 90 N -1.33 1.14 0.48 0.41 0.01 -1.26 -1.96 113.70 111.20 3i3y s SER 90 Ca 0.00 -0.13 -0.22 0.00 1.31 0.00 0.00 55.95 56.91 3i3y s SER 90 Cb 0.00 -0.47 -0.09 0.00 0.21 0.00 0.00 66.02 65.67 3i3y s SER 90 CO 0.00 -0.09 0.84 0.47 0.41 0.00 0.00 173.24 174.88 3i3y n ASP 91 N 4.31 0.43 -3.94 2.44 8.00 -1.26 -4.87 116.55 121.67 3i3y n ASP 91 Ca -0.21 0.92 -0.08 0.00 0.71 0.00 0.00 54.79 56.13 3i3y n ASP 91 Cb 0.51 -1.29 -0.08 0.00 -0.02 0.00 0.00 41.12 40.23 3i3y n ASP 91 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3i3y s THR 92 N -1.43 0.16 -0.06 -3.53 -4.23 -1.26 -2.84 115.64 102.46 3i3y s THR 92 Ca 0.67 -1.35 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 3i3y s THR 92 Cb -0.52 -1.31 0.02 0.00 1.34 0.00 0.00 72.50 72.03 3i3y s THR 92 CO 0.54 -0.74 -0.09 -0.44 -0.54 0.00 0.00 174.62 173.35 3i3y s SER 93 N -2.74 1.39 -0.19 3.99 0.01 -0.77 -1.52 113.70 113.87 3i3y s SER 93 Ca 0.04 -0.22 -0.17 0.00 1.31 0.00 0.00 55.95 56.91 3i3y s SER 93 Cb 0.05 -0.65 -0.04 0.00 0.21 0.00 0.00 66.02 65.59 3i3y s SER 93 CO -0.09 -0.01 0.44 -0.63 0.41 0.00 0.00 173.24 173.36 3i3y s ILE 94 N 0.78 5.17 -0.26 1.44 1.01 -0.12 -1.44 121.20 127.78 3i3y s ILE 94 Ca -0.13 0.80 -0.01 0.00 0.00 0.00 0.00 60.65 61.31 3i3y s ILE 94 Cb -0.15 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.59 3i3y s ILE 94 CO 0.02 0.24 -0.06 -0.63 0.00 0.00 0.00 174.94 174.51 3i3y s ILE 95 N 1.34 2.78 -0.60 2.92 1.09 -0.61 -1.73 121.20 126.39 3i3y s ILE 95 Ca 0.21 -1.20 -0.25 0.00 -1.10 0.00 0.00 60.65 58.31 3i3y s ILE 95 Cb -0.15 -2.48 0.04 0.00 -1.06 0.00 0.00 42.46 38.81 3i3y s ILE 95 CO 0.09 0.10 1.05 -0.76 -0.10 0.00 0.00 174.94 175.31 3i3y s LEU 96 N 1.27 3.87 -0.45 2.97 2.01 -0.01 -0.99 118.68 127.35 3i3y s LEU 96 Ca -0.02 -0.34 -0.28 0.00 0.01 0.00 0.00 54.13 53.50 3i3y s LEU 96 Cb -0.18 -2.82 -0.02 0.00 0.01 0.00 0.00 46.19 43.18 3i3y s LEU 96 CO -0.04 -1.39 1.81 0.21 1.01 0.00 0.00 176.35 177.95 3i3y s ASN 97 N 3.09 5.64 0.00 2.29 3.84 0.47 -3.14 114.94 127.12 3i3y s ASN 97 Ca 0.33 0.88 0.00 0.00 0.21 0.00 0.00 52.86 54.28 3i3y s ASN 97 Cb -0.11 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.06 3i3y s ASN 97 CO 0.19 -1.98 0.06 -1.20 -2.79 0.00 0.00 177.10 171.37 3i3y n SER 98 N 11.30 0.00 0.00 -4.21 7.64 -1.26 -2.06 113.62 125.03 3i3y n SER 98 Ca 0.22 0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.15 3i3y n SER 98 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 3i3y n SER 98 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i3y n ALA 99 N -0.66 0.00 0.00 -0.43 0.00 -1.25 -3.86 120.51 114.31 3i3y n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i3y n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i3y n ALA 99 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i3y n ASP 100 N 0.00 0.00 0.00 0.00 5.75 -1.26 -5.06 116.55 115.98 3i3y n ASP 100 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3i3y n ASP 100 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3i3y n ASP 100 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i3y n GLY 101 N 0.00 -0.33 3.12 6.12 0.00 -1.26 -5.05 105.19 107.79 3i3y n GLY 101 Ca 0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 3i3y n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i3y s ASP 102 N -1.31 1.44 0.81 1.61 1.11 -1.26 -4.91 116.67 114.16 3i3y s ASP 102 Ca 0.00 -0.45 -0.14 0.00 0.18 0.00 0.00 52.55 52.15 3i3y s ASP 102 Cb 0.00 -0.08 0.05 0.00 1.07 0.00 0.00 42.92 43.96 3i3y s ASP 102 CO 0.00 -0.01 0.96 0.59 1.18 0.00 0.00 175.17 177.90 3i3y n ASN 103 N 1.90 0.18 -3.98 0.27 4.13 -1.26 -4.49 115.26 112.02 3i3y n ASN 103 Ca -0.18 0.56 -0.18 0.00 1.68 0.00 0.00 54.58 56.45 3i3y n ASN 103 Cb 0.55 -1.41 -0.15 0.00 -1.54 0.00 0.00 39.78 37.23 3i3y n ASN 103 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i3y s ALA 104 N -2.11 0.65 0.24 5.41 0.00 -1.19 -4.98 121.76 119.79 3i3y s ALA 104 Ca 0.70 -0.27 0.11 0.00 0.00 0.00 0.00 51.96 52.50 3i3y s ALA 104 Cb -0.29 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.56 3i3y s ALA 104 CO 0.54 0.12 -0.20 0.42 0.00 0.00 0.00 175.76 176.65 3i3y s ILE 105 N 0.07 2.29 -0.06 0.00 1.09 -1.26 -0.83 121.20 122.51 3i3y s ILE 105 Ca -0.01 -2.27 -0.02 0.00 -1.10 0.00 0.00 60.65 57.25 3i3y s ILE 105 Cb -0.06 -2.19 0.04 0.00 -1.06 0.00 0.00 42.46 39.19 3i3y s ILE 105 CO -0.00 -0.37 0.10 -0.63 -0.10 0.00 0.00 174.94 173.94 3i3y s ILE 106 N -2.38 -0.16 0.10 2.92 1.01 -0.71 -4.98 121.20 117.00 3i3y s ILE 106 Ca 0.26 0.39 0.10 0.00 0.00 0.00 0.00 60.65 61.40 3i3y s ILE 106 Cb -0.05 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.18 3i3y s ILE 106 CO 0.12 0.16 -0.26 -0.89 0.00 0.00 0.00 174.94 174.08 3i3y s THR 107 N 2.16 2.14 0.75 2.92 2.01 -1.26 -0.94 115.64 123.41 3i3y s THR 107 Ca 0.04 -1.60 -0.08 0.00 0.31 0.00 0.00 61.69 60.36 3i3y s THR 107 Cb -0.12 -1.87 0.08 0.00 0.01 0.00 0.00 72.50 70.60 3i3y s THR 107 CO -0.04 0.16 1.07 -0.89 -0.69 0.00 0.00 174.62 174.23 3i3y s THR 108 N -0.98 2.19 0.00 -0.82 2.01 -0.57 -4.99 115.64 112.48 3i3y s THR 108 Ca 0.12 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.90 3i3y s THR 108 Cb -0.10 -2.98 0.00 0.00 0.01 0.00 0.00 72.50 69.44 3i3y s THR 108 CO 0.04 0.00 0.03 1.07 -0.69 0.00 0.00 174.62 175.07 3i3y n THR 109 N -3.06 0.00 0.07 -0.82 5.66 -1.26 -4.66 114.28 110.21 3i3y n THR 109 Ca 0.09 0.00 0.17 0.00 -3.05 0.00 0.00 64.05 61.26 3i3y n THR 109 Cb 0.60 0.33 0.68 0.00 -1.55 0.00 0.00 70.33 70.39 3i3y n THR 109 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i3y h ALA 110 N 0.00 2.36 0.01 1.79 0.00 -1.98 0.52 119.26 121.96 3i3y h ALA 110 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3i3y h ALA 110 Cb 0.64 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3i3y h ALA 110 CO 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 179.25 178.65 3i3y h ALA 111 N 1.81 0.01 0.00 0.00 0.00 -1.91 -2.86 119.26 116.31 3i3y h ALA 111 Ca 0.18 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3i3y h ALA 111 Cb 0.73 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3i3y h ALA 111 CO -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 179.25 179.19 3i3y h ALA 112 N 0.19 1.19 0.00 0.00 0.00 -1.67 -2.72 119.26 116.25 3i3y h ALA 112 Ca -0.02 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 3i3y h ALA 112 Cb 0.94 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3i3y h ALA 112 CO 0.02 0.07 -1.25 -0.44 0.00 0.00 0.00 179.25 177.66 3i3y h ASP 113 N 0.00 0.00 1.11 0.00 3.32 -0.95 -3.26 116.42 116.65 3i3y h ASP 113 Ca -0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 3i3y h ASP 113 Cb 0.24 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3i3y h ASP 113 CO 0.01 1.00 -0.19 0.74 -1.72 0.00 0.00 179.24 179.08 3i3y h THR 114 N 0.00 0.43 0.10 0.35 2.02 -1.24 -3.31 112.91 111.26 3i3y h THR 114 Ca -0.11 -1.11 0.01 0.00 0.77 0.00 0.00 66.41 65.97 3i3y h THR 114 Cb 1.86 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 70.05 3i3y h THR 114 CO 0.11 0.19 -0.32 0.15 0.37 0.00 0.00 175.52 176.02 3i3y h PHE 115 N 0.00 -0.93 -0.50 3.16 3.04 -1.58 -3.49 116.94 116.65 3i3y h PHE 115 Ca -0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 3i3y h PHE 115 Cb 0.80 0.39 0.00 0.00 2.56 0.00 0.00 35.95 39.70 3i3y h PHE 115 CO 0.00 -0.37 -0.12 -1.13 -2.02 0.00 0.00 178.31 174.67 3i3y n SER 116 N -4.28 -2.20 -0.20 0.41 3.41 -1.25 -4.41 113.62 105.10 3i3y n SER 116 Ca -0.05 0.17 0.01 0.00 -0.26 0.00 0.00 58.87 58.73 3i3y n SER 116 Cb 0.26 0.23 0.12 0.00 -0.26 0.00 0.00 64.21 64.55 3i3y n SER 116 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3i3y h LEU 117 N 0.25 -0.05 -1.97 1.04 5.85 -1.94 -0.98 115.31 117.52 3i3y h LEU 117 Ca 0.00 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3i3y h LEU 117 Cb 0.00 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3i3y h LEU 117 CO 0.00 -0.02 -0.09 0.44 -0.34 0.00 0.00 178.44 178.44 3i3y h ASP 118 N 0.23 0.00 -0.30 1.25 3.32 -2.02 -2.67 116.42 116.23 3i3y h ASP 118 Ca 0.33 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.30 3i3y h ASP 118 Cb 0.51 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.01 3i3y h ASP 118 CO -0.44 0.09 0.10 1.21 -1.72 0.00 0.00 179.24 178.48 3i3y n GLU 119 N -3.46 2.17 0.00 3.56 4.07 -0.37 -4.53 120.64 122.08 3i3y n GLU 119 Ca -0.02 -1.26 0.00 0.00 -0.06 0.00 0.00 57.16 55.83 3i3y n GLU 119 Cb 0.23 -1.68 0.00 0.00 -0.06 0.00 0.00 31.44 29.93 3i3y n GLU 119 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 3i3y n ILE 121 N 0.09 0.00 0.09 6.31 -5.35 -1.01 -4.60 119.36 114.89 3i3y n ILE 121 Ca 0.16 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.68 3i3y n ILE 121 Cb 0.77 0.00 0.21 0.00 -1.74 0.00 0.00 39.64 38.88 3i3y n ILE 121 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 3i3y n PRO 122 N 0.00 0.05 -0.91 6.28 -0.04 -1.26 -2.99 135.00 136.12 3i3y n PRO 122 Ca 0.00 0.46 -0.15 0.00 -0.04 0.00 0.00 63.50 63.77 3i3y n PRO 122 Cb 0.00 -1.88 0.01 0.00 -0.04 0.00 0.00 33.50 31.59 3i3y n PRO 122 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3i3y n HIS 123 N -1.73 1.23 0.00 0.54 8.25 -1.26 -4.80 115.22 117.45 3i3y n HIS 123 Ca -0.01 -1.79 0.00 0.00 -0.26 0.00 0.00 57.72 55.66 3i3y n HIS 123 Cb 0.22 -0.97 0.00 0.00 1.12 0.00 0.00 29.99 30.36 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 0.70 0.00 -0.03 -1.41 0.00 -1.16 -4.95 120.51 113.66 3i3y n ALA 125 Ca 0.28 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.80 3i3y n ALA 125 Cb 0.58 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.30 3i3y n ALA 125 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i3y n ASP 126 N 0.07 3.58 -4.78 0.00 3.85 -1.26 -4.94 116.55 113.08 3i3y n ASP 126 Ca 0.00 -2.23 -0.37 0.00 -0.71 0.00 0.00 54.79 51.47 3i3y n ASP 126 Cb 0.00 -0.47 -0.05 0.00 -1.35 0.00 0.00 41.12 39.25 3i3y n ASP 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i3y s ALA 127 N -1.60 3.19 0.36 2.12 0.00 -1.26 -5.06 121.76 119.51 3i3y s ALA 127 Ca 0.40 0.69 0.05 0.00 0.00 0.00 0.00 51.96 53.09 3i3y s ALA 127 Cb 0.24 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 3i3y s ALA 127 CO 0.22 -0.09 0.05 0.14 0.00 0.00 0.00 175.76 176.07 3i3y s VAL 128 N -1.54 1.39 0.00 0.00 -7.23 -1.26 -5.05 120.40 106.71 3i3y s VAL 128 Ca 0.53 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 3i3y s VAL 128 Cb -0.23 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 33.91 3i3y s VAL 128 CO 0.29 0.00 0.06 0.00 -0.31 0.00 0.00 175.10 175.14 3i3y n ALA 129 N -0.81 0.00 1.48 1.32 0.00 -1.18 -0.74 120.51 120.59 3i3y n ALA 129 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.54 3i3y n ALA 129 Cb 0.67 0.03 0.77 0.00 0.00 0.00 0.00 19.45 20.91 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 -0.99 -1.18 3.62 0.00 0.00 -1.26 -4.26 105.19 101.11 3i3y n GLY 130 Ca 0.00 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3i3y n GLY 130 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i3y n ASP 131 N -1.23 -0.09 -4.53 1.61 8.00 0.09 -4.44 116.55 115.95 3i3y n ASP 131 Ca 0.16 0.43 -0.33 0.00 0.71 0.00 0.00 54.79 55.75 3i3y n ASP 131 Cb 0.21 -1.42 -0.12 0.00 -0.02 0.00 0.00 41.12 39.76 3i3y n ASP 131 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i3y s ILE 132 N -2.49 3.42 -0.31 0.53 1.01 -0.04 -1.37 121.20 121.95 3i3y s ILE 132 Ca 0.66 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.70 3i3y s ILE 132 Cb -0.24 -2.38 0.05 0.00 0.01 0.00 0.00 42.46 39.90 3i3y s ILE 132 CO 0.59 0.59 0.03 -0.22 0.00 0.00 0.00 174.94 175.93 3i3y s LEU 133 N -0.74 4.03 -0.14 2.97 2.96 -0.59 0.22 118.68 127.40 3i3y s LEU 133 Ca 0.11 -1.26 -0.09 0.00 -0.22 0.00 0.00 54.13 52.66 3i3y s LEU 133 Cb -0.11 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 3i3y s LEU 133 CO 0.01 -0.28 0.18 -0.22 -1.32 0.00 0.00 176.35 174.72 3i3y s LEU 134 N 1.28 4.33 -0.02 -0.68 2.96 -0.20 -1.83 118.68 124.52 3i3y s LEU 134 Ca -0.04 0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 54.28 3i3y s LEU 134 Cb -0.20 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.33 3i3y s LEU 134 CO -0.00 0.29 0.08 -1.58 -1.32 0.00 0.00 176.35 173.82 3i3y s GLN 135 N -0.43 0.20 0.00 1.98 0.74 -0.76 -2.65 119.66 118.75 3i3y s GLN 135 Ca 0.14 -0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.48 3i3y s GLN 135 Cb -0.12 0.09 0.00 0.00 1.10 0.00 0.00 33.01 34.07 3i3y s GLN 135 CO 0.03 -0.04 0.00 1.04 -0.55 0.00 0.00 175.29 175.77 3i3y n GLN 136 N 2.54 3.74 -1.75 1.67 3.00 -1.26 -2.00 117.38 123.33 3i3y n GLN 136 Ca -0.16 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.60 3i3y n GLN 136 Cb 0.58 0.00 0.05 0.00 0.00 0.00 0.00 30.24 30.87 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 6.16 0.69 1.08 0.00 -0.85 -4.65 105.19 112.61 3i3y n GLY 137 Ca 0.00 -2.45 0.11 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.80 2.42 -4.90 1.61 4.13 -1.26 -3.58 115.26 112.89 3i3y n ASN 138 Ca 0.46 -1.71 -0.20 0.00 1.68 0.00 0.00 54.58 54.80 3i3y n ASN 138 Cb 0.91 0.25 -0.02 0.00 -1.54 0.00 0.00 39.78 39.37 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 -2.17 2.80 1.08 3.10 0.08 -1.26 -4.97 117.98 116.65 3i3y s PHE 139 Ca 0.22 -0.41 -0.15 0.00 0.12 0.00 0.00 56.93 56.71 3i3y s PHE 139 Cb 0.18 -2.09 0.23 0.00 -0.57 0.00 0.00 43.02 40.77 3i3y s PHE 139 CO 0.42 -0.07 1.11 -1.54 -0.10 0.00 0.00 175.22 175.04 3i3y s SER 140 N -4.13 1.93 0.17 1.36 1.04 -1.26 -4.76 113.70 108.05 3i3y s SER 140 Ca 0.47 0.89 -0.09 0.00 0.48 0.00 0.00 55.95 57.70 3i3y s SER 140 Cb -0.05 -1.35 0.05 0.00 0.10 0.00 0.00 66.02 64.77 3i3y s SER 140 CO 0.28 -3.53 1.60 0.25 0.98 0.00 0.00 173.24 172.83 3i3y h LEU 141 N -2.17 1.03 -0.59 2.42 5.85 -1.98 -1.30 115.31 118.57 3i3y h LEU 141 Ca -0.50 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 57.84 3i3y h LEU 141 Cb 1.31 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 3i3y h LEU 141 CO 0.48 1.14 0.23 0.44 -0.34 0.00 0.00 178.44 180.39 3i3y h ASP 142 N 0.92 0.83 -0.17 1.25 5.19 -1.99 0.73 116.42 123.18 3i3y h ASP 142 Ca 0.14 -0.18 -0.08 0.00 -0.62 0.00 0.00 57.03 56.29 3i3y h ASP 142 Cb 0.68 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.98 3i3y h ASP 142 CO 0.05 0.78 -0.22 0.50 -3.12 0.00 0.00 179.24 177.23 3i3y h LYS 143 N 0.83 0.44 -0.20 3.56 3.64 -1.91 -1.14 116.57 121.79 3i3y h LYS 143 Ca 0.20 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3i3y h LYS 143 Cb 0.22 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3i3y h LYS 143 CO -0.01 0.84 0.12 1.15 -2.27 0.00 0.00 179.45 179.27 3i3y h THR 144 N 0.08 1.10 0.40 1.00 2.02 -1.13 -1.25 112.91 115.13 3i3y h THR 144 Ca 0.02 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 3i3y h THR 144 Cb 0.78 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3i3y h THR 144 CO 0.05 0.09 -0.25 -0.09 0.37 0.00 0.00 175.52 175.70 3i3y h ARG 145 N 0.23 -0.60 -0.57 6.66 9.65 -0.89 -1.65 114.38 127.21 3i3y h ARG 145 Ca 0.07 0.04 0.10 0.00 -1.10 0.00 0.00 59.98 59.09 3i3y h ARG 145 Cb 0.05 0.14 -0.08 0.00 -1.39 0.00 0.00 29.97 28.69 3i3y h ARG 145 CO -0.01 -0.40 0.15 0.00 2.80 0.00 0.00 179.97 182.51 3i3y h ALA 146 N -0.06 0.68 -0.58 2.80 0.00 -1.11 0.11 119.26 121.11 3i3y h ALA 146 Ca -0.04 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3i3y h ALA 146 Cb 0.51 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3i3y h ALA 146 CO 0.04 -0.27 0.09 -0.07 0.00 0.00 0.00 179.25 179.04 3i3y h LEU 147 N 0.30 0.89 -0.65 0.00 3.38 -1.11 -2.11 115.31 116.02 3i3y h LEU 147 Ca 0.29 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 3i3y h LEU 147 Cb 0.40 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3i3y h LEU 147 CO -0.35 0.90 -0.35 -0.26 0.09 0.00 0.00 178.44 178.47 3i3y h PHE 148 N 0.89 0.77 -0.07 1.13 0.05 -0.29 -1.20 116.94 118.21 3i3y h PHE 148 Ca 0.18 -0.21 -0.08 0.00 3.82 0.00 0.00 57.97 61.68 3i3y h PHE 148 Cb 0.40 -0.17 -0.01 0.00 2.00 0.00 0.00 35.95 38.17 3i3y h PHE 148 CO 0.03 0.92 -0.32 1.96 -0.18 0.00 0.00 178.31 180.72 3i3y h GLN 149 N 0.55 0.14 -0.16 1.51 4.20 -0.60 -0.66 115.11 120.10 3i3y h GLN 149 Ca 0.06 -0.05 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 3i3y h GLN 149 Cb 0.87 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.64 3i3y h GLN 149 CO 0.08 0.45 -0.74 -0.92 -0.67 0.00 0.00 178.83 177.03 3i3y h TYR 150 N 0.12 0.98 0.34 2.96 3.20 -1.14 -3.19 116.97 120.24 3i3y h TYR 150 Ca 0.02 -0.42 -0.00 0.00 3.14 0.00 0.00 58.73 61.47 3i3y h TYR 150 Cb 0.64 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 3i3y h TYR 150 CO 0.01 1.24 -0.38 0.00 -1.64 0.00 0.00 178.16 177.38 3i3y h ALA 151 N 0.65 -0.80 -2.67 1.82 0.00 -0.59 -3.30 119.26 114.38 3i3y h ALA 151 Ca -0.04 -0.12 -0.51 0.00 0.00 0.00 0.00 54.91 54.24 3i3y h ALA 151 Cb 1.36 0.56 0.07 0.00 0.00 0.00 0.00 17.79 19.78 3i3y h ALA 151 CO 0.15 -0.99 0.47 1.03 0.00 0.00 0.00 179.25 179.90 3i3y s ARG 152 N -5.98 3.55 0.00 0.00 0.52 -0.31 -2.41 118.95 114.33 3i3y s ARG 152 Ca -0.17 1.73 0.00 0.00 -0.52 0.00 0.00 55.73 56.77 3i3y s ARG 152 Cb 0.06 -2.23 0.00 0.00 0.52 0.00 0.00 34.95 33.30 3i3y s ARG 152 CO 0.63 -0.71 0.00 -1.13 0.02 0.00 0.00 175.30 174.11 3i3y n SER 153 N -0.86 0.00 -0.07 0.23 3.41 -1.26 -4.70 113.62 110.38 3i3y n SER 153 Ca 0.09 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.72 3i3y n SER 153 Cb 0.49 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.46 3i3y n SER 153 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i3y n ARG 154 N -2.00 1.49 -1.31 4.33 1.74 -1.01 -5.11 116.66 114.79 3i3y n ARG 154 Ca 0.00 -1.32 0.00 0.00 -0.77 0.00 0.00 57.85 55.76 3i3y n ARG 154 Cb 0.00 -0.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 3i3y n ARG 154 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i3y n GLY 155 N -0.45 0.70 3.10 -0.13 0.00 -1.23 -3.08 105.19 104.10 3i3y n GLY 155 Ca 0.03 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.64 1.12 -0.13 2.61 2.01 -0.47 -4.24 115.64 113.89 3i3y s THR 157 Ca 0.00 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 3i3y s THR 157 Cb 0.00 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 3i3y s THR 157 CO 0.00 0.32 -0.10 0.42 -0.69 0.00 0.00 174.62 174.57 3i3y s THR 158 N -0.20 3.30 -0.09 -0.82 -4.23 -1.26 -1.54 115.64 110.80 3i3y s THR 158 Ca 0.03 -0.57 0.03 0.00 -1.18 0.00 0.00 61.69 60.00 3i3y s THR 158 Cb -0.07 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.38 3i3y s THR 158 CO -0.00 0.52 -0.19 0.54 -0.54 0.00 0.00 174.62 174.95 3i3y s VAL 159 N 0.29 1.70 -0.04 2.29 0.11 -0.76 -1.51 120.40 122.48 3i3y s VAL 159 Ca -0.08 -0.80 0.06 0.00 -2.93 0.00 0.00 61.98 58.23 3i3y s VAL 159 Cb -0.15 -1.49 -0.01 0.00 -1.53 0.00 0.00 36.38 33.19 3i3y s VAL 159 CO 0.05 0.48 -0.23 0.12 -3.33 0.00 0.00 175.10 172.18 3i3y s PHE 160 N 0.54 2.19 -0.47 1.54 5.36 0.34 -1.82 117.98 125.66 3i3y s PHE 160 Ca -0.16 -0.55 0.03 0.00 -0.96 0.00 0.00 56.93 55.29 3i3y s PHE 160 Cb -0.17 -1.43 0.16 0.00 -0.34 0.00 0.00 43.02 41.24 3i3y s PHE 160 CO 0.06 -0.14 0.34 1.21 -1.46 0.00 0.00 175.22 175.23 3i3y s ASN 161 N -0.29 2.79 -0.20 6.13 2.47 -0.85 -1.15 114.94 123.84 3i3y s ASN 161 Ca 0.02 -3.04 -0.20 0.00 0.42 0.00 0.00 52.86 50.06 3i3y s ASN 161 Cb -0.11 -0.81 -0.23 0.00 -1.45 0.00 0.00 41.25 38.65 3i3y s ASN 161 CO 0.02 -0.19 1.55 -0.81 -3.72 0.00 0.00 177.10 173.95 3i3y n PRO 162 N 2.95 0.41 -3.65 0.43 -0.04 -1.26 -2.59 135.00 131.25 3i3y n PRO 162 Ca 0.21 -1.06 -0.18 0.00 -0.04 0.00 0.00 63.50 62.43 3i3y n PRO 162 Cb 0.41 -2.45 -0.16 0.00 -0.04 0.00 0.00 33.50 31.26 3i3y n PRO 162 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i3y s SER 163 N 5.93 0.92 0.60 3.54 0.15 -1.26 -3.26 113.70 120.32 3i3y s SER 163 Ca 0.49 0.22 -0.20 0.00 0.70 0.00 0.00 55.95 57.16 3i3y s SER 163 Cb 0.11 0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 64.59 3i3y s SER 163 CO 0.20 -0.26 1.29 -2.16 1.20 0.00 0.00 173.24 173.52 3i3y s PRO 164 N 2.27 2.86 0.63 5.44 0.04 -1.23 -2.01 135.00 143.01 3i3y s PRO 164 Ca 0.04 2.07 -0.16 0.00 0.04 0.00 0.00 61.00 62.99 3i3y s PRO 164 Cb -0.12 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 3i3y s PRO 164 CO -0.06 -1.36 1.10 0.54 0.04 0.00 0.00 177.00 177.26 3i3y s VAL 165 N -1.41 3.37 -0.24 -0.36 0.11 -1.20 -4.50 120.40 116.17 3i3y s VAL 165 Ca 0.77 0.66 -0.03 0.00 -2.93 0.00 0.00 61.98 60.46 3i3y s VAL 165 Cb -0.37 -3.18 0.11 0.00 -1.53 0.00 0.00 36.38 31.41 3i3y s VAL 165 CO 0.41 -0.38 0.27 0.21 -3.33 0.00 0.00 175.10 172.28 3i3y s ASN 166 N -2.56 1.39 0.59 3.54 3.84 -1.26 -5.03 114.94 115.45 3i3y s ASN 166 Ca 0.67 -0.38 0.29 0.00 0.21 0.00 0.00 52.86 53.65 3i3y s ASN 166 Cb -0.20 0.50 1.29 0.00 -0.55 0.00 0.00 41.25 42.30 3i3y s ASN 166 CO 0.39 -0.35 1.66 1.55 -2.79 0.00 0.00 177.10 177.57 3i3y h PRO 167 N 8.28 0.00 0.00 0.43 0.13 -1.96 0.42 132.00 139.30 3i3y h PRO 167 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3i3y h PRO 167 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3i3y h PRO 167 CO 0.30 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.82 3i3y n ASP 168 N -3.55 0.25 0.24 1.44 8.00 -1.26 -3.04 116.55 118.62 3i3y n ASP 168 Ca 0.16 0.56 0.16 0.00 0.71 0.00 0.00 54.79 56.38 3i3y n ASP 168 Cb 1.06 -0.61 0.72 0.00 -0.02 0.00 0.00 41.12 42.26 3i3y n ASP 168 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3i3y h PHE 169 N 0.00 0.00 0.00 1.24 0.05 -0.58 -3.16 116.94 114.49 3i3y h PHE 169 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3i3y h PHE 169 Cb 0.32 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.27 3i3y h PHE 169 CO 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 178.31 178.13 3i3y n HIS 171 N -2.01 0.00 0.35 0.00 8.25 -1.20 -4.25 115.22 116.36 3i3y n HIS 171 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.57 3i3y n HIS 171 Cb 0.04 -0.16 0.16 0.00 1.12 0.00 0.00 29.99 31.14 3i3y n HIS 171 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3i3y h LEU 172 N 0.81 0.00 -1.00 2.41 4.07 -1.48 -3.40 115.31 116.71 3i3y h LEU 172 Ca 0.00 -0.06 0.40 0.00 0.08 0.00 0.00 57.88 58.30 3i3y h LEU 172 Cb 0.50 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 42.07 3i3y h LEU 172 CO 0.00 0.03 0.53 -0.50 -1.08 0.00 0.00 178.44 177.42 3i3y h TRP 173 N 0.00 0.81 -0.12 1.13 -0.00 -1.75 0.33 115.95 116.35 3i3y h TRP 173 Ca 0.00 0.04 0.04 0.00 -0.00 0.00 0.00 58.89 58.97 3i3y h TRP 173 Cb 0.89 -0.18 -0.00 0.00 -0.00 0.00 0.00 29.16 29.86 3i3y h TRP 173 CO 0.00 -0.43 0.11 -1.35 -0.00 0.00 0.00 178.44 176.77 3i3y h PRO 174 N 0.05 0.00 -0.06 0.49 0.11 -1.86 0.02 132.00 130.75 3i3y h PRO 174 Ca 0.82 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.93 3i3y h PRO 174 Cb 2.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.24 3i3y h PRO 174 CO -0.75 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.32 3i3y n LEU 175 N -4.08 1.31 -4.34 2.35 7.99 0.10 -4.90 117.00 115.44 3i3y n LEU 175 Ca -0.00 -0.48 -0.33 0.00 -0.01 0.00 0.00 56.01 55.19 3i3y n LEU 175 Cb 0.23 -0.03 -0.14 0.00 -0.11 0.00 0.00 43.42 43.36 3i3y n LEU 175 CO 0.30 0.24 -0.43 -0.63 -1.51 0.00 0.00 177.39 175.36 3i3y s ILE 176 N -1.94 3.08 -0.12 -0.08 1.01 -0.01 -4.70 121.20 118.45 3i3y s ILE 176 Ca 0.37 -0.63 -0.17 0.00 0.00 0.00 0.00 60.65 60.21 3i3y s ILE 176 Cb 0.20 -2.33 -0.26 0.00 0.01 0.00 0.00 42.46 40.08 3i3y s ILE 176 CO 0.31 0.50 0.53 0.44 0.00 0.00 0.00 174.94 176.72 3i3y h ASP 177 N 7.15 0.31 -3.26 3.58 3.32 -1.64 -3.41 116.42 122.47 3i3y h ASP 177 Ca -0.31 -0.83 -0.54 0.00 0.02 0.00 0.00 57.03 55.37 3i3y h ASP 177 Cb 1.19 -0.10 -0.35 0.00 0.22 0.00 0.00 39.33 40.29 3i3y h ASP 177 CO 0.58 1.56 -0.81 -0.63 -1.72 0.00 0.00 179.24 178.21 3i3y s ILE 178 N -2.45 1.17 -0.08 0.35 1.01 -0.57 -2.18 121.20 118.45 3i3y s ILE 178 Ca -0.21 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.05 3i3y s ILE 178 Cb 0.04 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 3i3y s ILE 178 CO 0.74 0.38 -0.15 0.00 0.00 0.00 0.00 174.94 175.91 3i3y s ALA 179 N 1.27 2.58 -0.16 9.38 0.00 -0.44 -0.50 121.76 133.89 3i3y s ALA 179 Ca -0.03 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 3i3y s ALA 179 Cb -0.14 -1.02 0.04 0.00 0.00 0.00 0.00 23.12 22.00 3i3y s ALA 179 CO -0.04 0.43 -0.07 0.08 0.00 0.00 0.00 175.76 176.16 3i3y s VAL 180 N -0.27 1.20 0.12 0.00 1.01 -0.30 -0.94 120.40 121.22 3i3y s VAL 180 Ca 0.01 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 3i3y s VAL 180 Cb -0.13 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3i3y s VAL 180 CO 0.03 0.21 0.03 0.68 0.00 0.00 0.00 175.10 176.05 3i3y s VAL 181 N 1.61 0.24 0.29 2.92 -7.23 -0.60 -4.25 120.40 113.37 3i3y s VAL 181 Ca 0.02 -1.91 -0.00 0.00 -1.81 0.00 0.00 61.98 58.28 3i3y s VAL 181 Cb -0.15 -1.95 0.06 0.00 0.56 0.00 0.00 36.38 34.90 3i3y s VAL 181 CO -0.08 -0.58 0.39 -0.46 -0.31 0.00 0.00 175.10 174.07 3i3y n ASN 182 N -0.08 0.53 0.12 4.85 2.04 -1.26 -0.50 115.26 120.96 3i3y n ASN 182 Ca -0.07 -1.45 -0.00 0.00 -0.44 0.00 0.00 54.58 52.62 3i3y n ASN 182 Cb 0.63 -0.25 0.28 0.00 -2.53 0.00 0.00 39.78 37.91 3i3y n ASN 182 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 3i3y h GLU 183 N 0.00 0.18 -0.07 -3.83 4.11 -1.92 -2.19 114.58 110.86 3i3y h GLU 183 Ca -0.13 -0.07 -0.08 0.00 0.07 0.00 0.00 59.36 59.15 3i3y h GLU 183 Cb 0.48 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3i3y h GLU 183 CO 0.14 0.51 -0.28 1.03 0.07 0.00 0.00 179.01 180.49 3i3y h SER 184 N 0.15 0.37 0.43 3.06 0.87 -1.94 -2.95 113.55 113.54 3i3y h SER 184 Ca 0.02 -0.63 -0.10 0.00 -1.23 0.00 0.00 61.79 59.84 3i3y h SER 184 Cb 0.70 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 3i3y h SER 184 CO 0.05 0.94 -0.48 -0.33 -0.53 0.00 0.00 176.83 176.48 3i3y h GLU 185 N -0.19 0.05 -0.36 2.24 5.08 -1.93 -1.40 114.58 118.08 3i3y h GLU 185 Ca -0.02 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3i3y h GLU 185 Cb 0.92 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3i3y h GLU 185 CO 0.06 0.52 0.16 0.00 -1.00 0.00 0.00 179.01 178.75 3i3y h ALA 186 N 1.47 0.46 0.00 3.43 0.00 -1.43 0.25 119.26 123.44 3i3y h ALA 186 Ca -0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 3i3y h ALA 186 Cb 0.86 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3i3y h ALA 186 CO 0.06 0.04 -0.93 1.49 0.00 0.00 0.00 179.25 179.91 3i3y h GLU 187 N 0.43 0.01 0.18 0.00 4.81 -1.42 0.16 114.58 118.76 3i3y h GLU 187 Ca 0.12 -0.02 -0.30 0.00 -0.13 0.00 0.00 59.36 59.03 3i3y h GLU 187 Cb 0.15 0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.56 3i3y h GLU 187 CO -0.01 0.94 -1.35 1.25 -0.73 0.00 0.00 179.01 179.11 3i3y h LEU 188 N 0.01 0.67 0.00 1.64 5.85 -1.12 -3.35 115.31 119.00 3i3y h LEU 188 Ca -0.01 -0.70 -0.03 0.00 0.84 0.00 0.00 57.88 57.97 3i3y h LEU 188 Cb 1.65 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 3i3y h LEU 188 CO 0.12 1.54 -1.99 0.18 -0.34 0.00 0.00 178.44 177.96 3i3y n LEU 189 N -3.65 0.04 -3.45 2.25 4.77 0.85 -4.95 117.00 112.86 3i3y n LEU 189 Ca -0.13 0.02 -0.17 0.00 -0.03 0.00 0.00 56.01 55.70 3i3y n LEU 189 Cb 1.05 0.04 0.02 0.00 -2.33 0.00 0.00 43.42 42.20 3i3y n LEU 189 CO 0.57 0.04 0.04 1.67 -1.33 0.00 0.00 177.39 178.39 3i3y n GLN 190 N -2.33 -1.40 -1.48 3.23 -0.06 0.56 -4.65 117.38 111.25 3i3y n GLN 190 Ca -0.06 0.96 -0.36 0.00 -2.00 0.00 0.00 57.00 55.53 3i3y n GLN 190 Cb 0.62 -4.31 0.07 0.00 -4.06 0.00 0.00 30.24 22.56 3i3y n GLN 190 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 3i3y n PRO 191 N -2.77 0.67 -3.54 3.69 -0.02 -1.26 -5.03 135.00 126.75 3i3y n PRO 191 Ca -0.12 0.28 -0.17 0.00 -2.02 0.00 0.00 63.50 61.46 3i3y n PRO 191 Cb 0.59 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 3i3y n PRO 191 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3i3y s TYR 192 N -1.68 -0.66 -1.86 6.00 1.13 -1.26 -4.96 117.35 114.06 3i3y s TYR 192 Ca 0.75 1.20 0.00 0.00 -1.41 0.00 0.00 57.07 57.61 3i3y s TYR 192 Cb -0.37 0.40 0.00 0.00 -1.10 0.00 0.00 41.96 40.88 3i3y s TYR 192 CO 0.48 -0.57 0.00 0.41 -2.51 0.00 0.00 175.55 173.36 3i3y n GLY 193 N 1.11 -0.16 3.76 5.49 0.00 -1.26 -4.76 105.19 109.37 3i3y n GLY 193 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.01 5.28 0.32 1.61 1.01 -1.26 -4.96 120.40 119.39 3i3y s VAL 194 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.15 3i3y s VAL 194 Cb 0.00 -3.36 0.29 0.00 0.00 0.00 0.00 36.38 33.32 3i3y s VAL 194 CO 0.00 0.52 1.90 0.11 0.00 0.00 0.00 175.10 177.62 3i3y h LYS 195 N 5.99 0.87 -3.93 2.72 6.56 -1.76 -3.40 116.57 123.62 3i3y h LYS 195 Ca -0.46 -0.05 -0.42 0.00 -1.06 0.00 0.00 60.65 58.66 3i3y h LYS 195 Cb 1.18 -0.20 -0.35 0.00 -0.57 0.00 0.00 32.23 32.29 3i3y h LYS 195 CO 0.68 0.57 -0.77 0.99 -2.06 0.00 0.00 179.45 178.86 3i3y s THR 196 N -5.82 0.51 -0.14 -0.16 2.01 -0.93 -4.56 115.64 106.56 3i3y s THR 196 Ca -0.11 -0.05 -0.00 0.00 0.31 0.00 0.00 61.69 61.84 3i3y s THR 196 Cb 0.21 -0.58 0.03 0.00 0.01 0.00 0.00 72.50 72.16 3i3y s THR 196 CO 0.79 0.24 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.64 3i3y s LEU 197 N 1.30 1.51 -0.18 4.42 2.96 -0.39 -1.32 118.68 126.97 3i3y s LEU 197 Ca -0.05 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.39 3i3y s LEU 197 Cb -0.14 -1.03 -0.00 0.00 0.50 0.00 0.00 46.19 45.52 3i3y s LEU 197 CO -0.02 -0.10 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.12 3i3y s VAL 198 N 1.58 2.97 -0.33 1.68 1.01 -0.11 -0.04 120.40 127.16 3i3y s VAL 198 Ca 0.04 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 3i3y s VAL 198 Cb -0.13 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 33.99 3i3y s VAL 198 CO -0.09 0.48 0.09 -0.63 0.00 0.00 0.00 175.10 174.95 3i3y s ILE 199 N 1.09 3.73 0.02 2.22 1.01 -0.31 -1.56 121.20 127.38 3i3y s ILE 199 Ca 0.00 -1.11 -0.23 0.00 0.00 0.00 0.00 60.65 59.31 3i3y s ILE 199 Cb -0.15 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 3i3y s ILE 199 CO -0.03 -0.15 0.69 0.42 0.00 0.00 0.00 174.94 175.87 3i3y s THR 200 N 1.40 4.83 -0.22 2.92 -4.23 0.35 0.18 115.64 120.86 3i3y s THR 200 Ca -0.02 1.45 0.13 0.00 -1.18 0.00 0.00 61.69 62.08 3i3y s THR 200 Cb -0.19 -4.03 0.45 0.00 1.34 0.00 0.00 72.50 70.07 3i3y s THR 200 CO 0.02 0.38 1.19 0.00 -0.54 0.00 0.00 174.62 175.67 3i3y n GLN 201 N 2.84 2.14 0.00 3.99 6.02 0.84 -3.26 117.38 129.95 3i3y n GLN 201 Ca -0.04 -3.48 0.00 0.00 -0.01 0.00 0.00 57.00 53.47 3i3y n GLN 201 Cb 0.51 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 30.12 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 -0.68 3.20 0.33 1.08 0.00 -1.23 -0.26 105.19 107.64 3i3y n GLY 202 Ca 0.25 0.04 0.22 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.54 1.05 -0.16 4.61 0.00 -1.99 -1.49 119.26 120.74 3i3y h ALA 203 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i3y h ALA 203 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i3y h ALA 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3i3y n ALA 204 N -2.11 2.84 0.00 0.00 0.00 0.65 -4.37 120.51 117.52 3i3y n ALA 204 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3i3y n ALA 204 Cb 0.09 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3i3y n ALA 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3y n GLY 205 N 0.24 -1.56 3.39 0.00 0.00 -0.56 -4.77 105.19 101.93 3i3y n GLY 205 Ca 0.08 -1.36 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.06 -1.31 0.03 4.61 0.00 -0.90 -0.12 121.76 123.01 3i3y s ALA 206 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3i3y s ALA 206 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 3i3y s ALA 206 CO 0.00 -0.35 0.12 -1.58 0.00 0.00 0.00 175.76 173.94 3i3y s TRP 207 N -1.48 3.34 -0.23 0.00 0.52 0.13 -0.35 118.94 120.86 3i3y s TRP 207 Ca -0.11 0.20 0.02 0.00 0.02 0.00 0.00 56.10 56.24 3i3y s TRP 207 Cb -0.02 -1.73 0.05 0.00 -1.15 0.00 0.00 33.47 30.62 3i3y s TRP 207 CO 0.06 0.57 -0.13 -1.17 0.02 0.00 0.00 176.95 176.29 3i3y s LEU 208 N -2.07 2.97 -0.39 2.99 2.96 0.63 -1.17 118.68 124.61 3i3y s LEU 208 Ca 0.27 -1.16 -0.05 0.00 -0.22 0.00 0.00 54.13 52.98 3i3y s LEU 208 Cb -0.12 -1.48 0.09 0.00 0.50 0.00 0.00 46.19 45.17 3i3y s LEU 208 CO 0.19 -0.14 0.18 -0.69 -1.32 0.00 0.00 176.35 174.57 3i3y s VAL 209 N 1.19 3.51 0.00 1.68 1.01 0.94 -1.64 120.40 127.09 3i3y s VAL 209 Ca -0.05 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.20 3i3y s VAL 209 Cb -0.18 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3i3y s VAL 209 CO -0.07 -0.52 0.00 1.67 0.00 0.00 0.00 175.10 176.18 3i3y n GLN 210 N 4.70 0.00 -3.03 2.72 -0.06 -1.01 -1.26 117.38 119.42 3i3y n GLN 210 Ca -0.07 0.19 -0.17 0.00 -2.00 0.00 0.00 57.00 54.95 3i3y n GLN 210 Cb 0.42 -0.66 -0.03 0.00 -4.06 0.00 0.00 30.24 25.92 3i3y n GLN 210 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 3i3y n GLU 211 N -2.13 0.63 0.00 3.69 0.28 -1.26 -4.55 120.64 117.29 3i3y n GLU 211 Ca 0.00 -2.61 0.00 0.00 -0.16 0.00 0.00 57.16 54.39 3i3y n GLU 211 Cb 0.00 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 31.48 3i3y n GLU 211 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i3y n GLY 212 N 1.88 2.32 3.72 -1.84 0.00 -1.26 -5.00 105.19 105.01 3i3y n GLY 212 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3i3y n GLY 212 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i3y s GLN 213 N -0.24 4.25 -0.18 1.61 0.74 -1.26 -5.07 119.66 119.51 3i3y s GLN 213 Ca 0.00 0.12 -0.01 0.00 0.05 0.00 0.00 55.36 55.52 3i3y s GLN 213 Cb 0.00 -3.45 -0.00 0.00 1.10 0.00 0.00 33.01 30.66 3i3y s GLN 213 CO 0.00 0.18 -0.12 1.03 -0.55 0.00 0.00 175.29 175.83 3i3y s ARG 214 N 0.64 3.25 -0.08 1.67 0.52 -1.26 -2.42 118.95 121.27 3i3y s ARG 214 Ca 0.17 -0.71 0.03 0.00 -0.52 0.00 0.00 55.73 54.70 3i3y s ARG 214 Cb -0.13 -2.73 0.01 0.00 0.52 0.00 0.00 34.95 32.61 3i3y s ARG 214 CO 0.05 -0.06 -0.18 -0.65 0.02 0.00 0.00 175.30 174.48 3i3y s GLN 215 N 1.03 2.40 -0.10 3.54 -0.21 -0.65 -4.98 119.66 120.68 3i3y s GLN 215 Ca -0.01 -0.65 -0.03 0.00 0.02 0.00 0.00 55.36 54.69 3i3y s GLN 215 Cb -0.15 -1.87 -0.03 0.00 1.00 0.00 0.00 33.01 31.96 3i3y s GLN 215 CO -0.03 0.10 0.03 0.12 -2.12 0.00 0.00 175.29 173.40 3i3y s PHE 216 N 0.51 3.26 -0.31 0.91 5.36 -1.26 -0.27 117.98 126.17 3i3y s PHE 216 Ca -0.17 0.25 0.03 0.00 -0.96 0.00 0.00 56.93 56.08 3i3y s PHE 216 Cb -0.17 -1.84 0.09 0.00 -0.34 0.00 0.00 43.02 40.76 3i3y s PHE 216 CO 0.06 0.50 0.01 0.00 -1.46 0.00 0.00 175.22 174.34 3i3y n PRO 218 N 4.36 0.10 -3.65 0.00 -0.02 -1.26 -2.12 135.00 132.41 3i3y n PRO 218 Ca -0.01 0.07 -0.29 0.00 -2.02 0.00 0.00 63.50 61.25 3i3y n PRO 218 Cb 0.42 -1.65 -0.04 0.00 -0.02 0.00 0.00 33.50 32.22 3i3y n PRO 218 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i3y s ALA 219 N -2.04 3.80 -0.43 3.55 0.00 -1.26 -4.80 121.76 120.58 3i3y s ALA 219 Ca 0.59 -0.74 -0.27 0.00 0.00 0.00 0.00 51.96 51.54 3i3y s ALA 219 Cb -0.31 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 3i3y s ALA 219 CO 0.64 0.48 2.02 0.08 0.00 0.00 0.00 175.76 178.98 3i3y s VAL 220 N -1.84 3.26 0.28 0.00 1.01 -1.26 -4.90 120.40 116.95 3i3y s VAL 220 Ca 0.40 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 3i3y s VAL 220 Cb -0.11 -3.49 -0.14 0.00 0.00 0.00 0.00 36.38 32.64 3i3y s VAL 220 CO 0.28 -0.40 1.08 -2.65 0.00 0.00 0.00 175.10 173.41 3i3y n PRO 221 N 8.82 1.44 -2.41 2.72 -0.02 -1.26 -4.88 135.00 139.41 3i3y n PRO 221 Ca 0.26 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3i3y n PRO 221 Cb 0.50 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3i3y n PRO 221 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i3y n ALA 222 N 0.48 0.00 -3.32 3.55 0.00 -1.26 -5.14 120.51 114.82 3i3y n ALA 222 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.38 3i3y n ALA 222 Cb 0.31 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.61 3i3y n ALA 222 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i3y s GLU 223 N -0.45 0.29 -0.09 0.00 -6.30 -1.26 -5.14 118.70 105.74 3i3y s GLU 223 Ca 0.00 -0.01 -0.17 0.00 -2.50 0.00 0.00 54.97 52.30 3i3y s GLU 223 Cb 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 34.13 33.70 3i3y s GLU 223 CO 0.00 -0.05 0.43 0.00 0.02 0.00 0.00 175.26 175.67 3i3y s ALA 224 N 0.54 3.55 -0.15 6.30 0.00 -1.26 -4.74 121.76 126.01 3i3y s ALA 224 Ca -0.05 -0.23 -0.16 0.00 0.00 0.00 0.00 51.96 51.52 3i3y s ALA 224 Cb -0.08 -2.54 -0.13 0.00 0.00 0.00 0.00 23.12 20.37 3i3y s ALA 224 CO -0.01 0.15 0.24 1.25 0.00 0.00 0.00 175.76 177.39 3i3y h LEU 225 N 6.14 0.00 -7.18 0.00 6.46 0.51 -3.45 115.31 117.79 3i3y h LEU 225 Ca -0.44 -0.42 -0.52 0.00 -0.12 0.00 0.00 57.88 56.38 3i3y h LEU 225 Cb 1.19 0.00 -0.40 0.00 -0.73 0.00 0.00 40.66 40.72 3i3y h LEU 225 CO 0.72 0.95 -0.76 -0.62 -0.62 0.00 0.00 178.44 178.11 3i3y s ASP 226 N -6.12 3.04 0.57 1.25 2.15 -0.50 -5.02 116.67 112.05 3i3y s ASP 226 Ca -0.16 -0.95 0.31 0.00 0.43 0.00 0.00 52.55 52.18 3i3y s ASP 226 Cb 0.01 -0.56 1.71 0.00 -0.30 0.00 0.00 42.92 43.78 3i3y s ASP 226 CO 0.40 -0.34 2.17 0.74 -0.17 0.00 0.00 175.17 177.97 3i3y h THR 227 N 6.49 0.43 -2.88 1.71 2.02 -1.88 -3.36 112.91 115.44 3i3y h THR 227 Ca -0.16 -0.29 -0.58 0.00 0.77 0.00 0.00 66.41 66.14 3i3y h THR 227 Cb 1.10 1.20 0.10 0.00 -1.74 0.00 0.00 68.15 68.81 3i3y h THR 227 CO 0.36 0.06 0.45 0.41 0.37 0.00 0.00 175.52 177.16 3i3y n THR 228 N -3.58 1.64 -0.84 3.16 -1.04 -1.26 -2.89 114.28 109.47 3i3y n THR 228 Ca -0.02 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 3i3y n THR 228 Cb 0.17 -1.38 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 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 1.33 1.18 0.30 3.41 0.00 -1.26 -4.78 105.19 105.38 3i3y n GLY 229 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 0.81 -0.07 4.61 0.00 -1.86 -1.47 119.26 121.28 3i3y h ALA 230 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3i3y h ALA 230 Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3i3y h ALA 230 CO 0.00 0.66 0.03 0.78 0.00 0.00 0.00 179.25 180.72 3i3y h GLY 231 N 0.96 0.11 1.72 0.00 0.00 -1.92 -0.53 103.07 103.42 3i3y h GLY 231 Ca 0.17 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 3i3y h GLY 231 CO 0.03 0.05 -0.27 -0.55 0.00 0.00 0.00 176.54 175.81 3i3y h ASP 232 N -0.03 0.32 -0.12 0.19 3.32 -1.97 0.15 116.42 118.27 3i3y h ASP 232 Ca 0.02 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 3i3y h ASP 232 Cb 0.15 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3i3y h ASP 232 CO -0.00 0.59 -0.00 0.74 -1.72 0.00 0.00 179.24 178.85 3i3y h THR 233 N 0.29 1.26 -0.08 0.35 2.02 -1.12 -0.30 112.91 115.33 3i3y h THR 233 Ca 0.04 -0.83 0.02 0.00 0.77 0.00 0.00 66.41 66.41 3i3y h THR 233 Cb 0.63 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 3i3y h THR 233 CO 0.05 0.24 -0.03 0.15 0.37 0.00 0.00 175.52 176.30 3i3y h PHE 234 N -0.05 -0.07 0.33 3.16 3.57 -0.77 -1.07 116.94 122.04 3i3y h PHE 234 Ca 0.03 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3i3y h PHE 234 Cb 0.37 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 3i3y h PHE 234 CO 0.04 -0.05 -0.42 1.25 -2.23 0.00 0.00 178.31 176.89 3i3y h LEU 235 N -0.02 -1.18 -0.39 0.59 7.12 -0.57 -3.17 115.31 117.69 3i3y h LEU 235 Ca 0.04 0.11 -0.00 0.00 0.13 0.00 0.00 57.88 58.16 3i3y h LEU 235 Cb 0.08 0.41 -0.02 0.00 -0.53 0.00 0.00 40.66 40.60 3i3y h LEU 235 CO -0.09 -0.55 0.23 0.00 -0.13 0.00 0.00 178.44 177.90 3i3y h ALA 236 N -0.43 0.50 0.00 1.25 0.00 -0.95 -2.40 119.26 117.23 3i3y h ALA 236 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i3y h ALA 236 Cb 0.74 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i3y h ALA 236 CO -0.12 -0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.41 3i3y n VAL 237 N -4.77 0.30 0.00 0.00 0.31 -0.41 -1.08 118.33 112.68 3i3y n VAL 237 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3i3y n VAL 237 Cb 0.06 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 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 0.92 0.00 -0.10 7.52 7.94 -0.90 -0.55 117.00 131.82 3i3y n LEU 239 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 3i3y n LEU 239 Cb 0.14 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.08 3i3y n LEU 239 CO 0.00 0.00 0.99 0.00 -1.11 0.00 0.00 177.39 177.27 3i3y h ALA 240 N 0.00 0.43 -0.29 1.96 0.00 -1.37 0.81 119.26 120.79 3i3y h ALA 240 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.93 3i3y h ALA 240 Cb 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 3i3y h ALA 240 CO 0.00 -0.08 -0.15 1.03 0.00 0.00 0.00 179.25 180.05 3i3y h SER 241 N 0.44 -0.51 0.23 0.00 0.87 -1.07 0.67 113.55 114.17 3i3y h SER 241 Ca 0.12 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3i3y h SER 241 Cb -0.00 0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 3i3y h SER 241 CO -0.02 -0.19 -0.13 0.00 -0.53 0.00 0.00 176.83 175.96 3i3y h ALA 242 N 1.10 -0.33 0.02 6.23 0.00 -1.71 -2.70 119.26 121.87 3i3y h ALA 242 Ca 0.15 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3i3y h ALA 242 Cb 0.35 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3i3y h ALA 242 CO -0.37 -0.69 -0.32 -0.07 0.00 0.00 0.00 179.25 177.80 3i3y h LEU 243 N -0.34 -0.96 -1.25 0.00 4.07 -0.09 -1.61 115.31 115.13 3i3y h LEU 243 Ca -0.02 0.12 0.26 0.00 0.08 0.00 0.00 57.88 58.31 3i3y h LEU 243 Cb 0.28 0.38 -0.10 0.00 1.08 0.00 0.00 40.66 42.30 3i3y h LEU 243 CO 0.03 -0.39 0.65 -0.07 -1.08 0.00 0.00 178.44 177.58 3i3y h LEU 244 N -0.49 0.52 -3.96 1.67 3.38 0.40 0.19 115.31 117.03 3i3y h LEU 244 Ca 0.06 0.10 -0.60 0.00 0.09 0.00 0.00 57.88 57.52 3i3y h LEU 244 Cb 0.56 0.01 -0.30 0.00 0.09 0.00 0.00 40.66 41.03 3i3y h LEU 244 CO -0.25 0.10 0.67 0.54 0.09 0.00 0.00 178.44 179.59 3i3y n ARG 245 N -4.70 2.58 -1.26 1.13 1.74 -0.65 -4.98 116.66 110.51 3i3y n ARG 245 Ca 0.25 -3.26 -0.05 0.00 -0.77 0.00 0.00 57.85 54.03 3i3y n ARG 245 Cb 0.82 -2.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 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 -0.98 0.02 3.69 -0.13 0.00 0.65 -4.90 105.19 103.55 3i3y n GLY 246 Ca 0.60 0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.76 3i3y n GLY 246 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3y s VAL 247 N -0.21 0.00 0.27 1.61 0.11 -1.06 -5.03 120.40 116.09 3i3y s VAL 247 Ca 0.04 -0.26 -0.09 0.00 -2.93 0.00 0.00 61.98 58.74 3i3y s VAL 247 Cb -0.00 -2.18 -0.07 0.00 -1.53 0.00 0.00 36.38 32.60 3i3y s VAL 247 CO 0.10 0.00 0.59 0.00 -3.33 0.00 0.00 175.10 172.46 3i3y s ALA 248 N -2.41 3.53 -0.35 1.54 0.00 -1.26 -4.27 121.76 118.53 3i3y s ALA 248 Ca 0.17 -0.29 -0.45 0.00 0.00 0.00 0.00 51.96 51.39 3i3y s ALA 248 Cb 0.03 -2.47 -0.20 0.00 0.00 0.00 0.00 23.12 20.48 3i3y s ALA 248 CO -0.03 0.38 1.48 -2.30 0.00 0.00 0.00 175.76 175.30 3i3y n PRO 249 N -0.45 0.13 -3.03 0.00 -0.02 -1.26 -4.96 135.00 125.41 3i3y n PRO 249 Ca 0.01 0.05 -0.12 0.00 -2.02 0.00 0.00 63.50 61.42 3i3y n PRO 249 Cb 0.53 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.42 3i3y n PRO 249 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3i3y n ASP 250 N 3.51 1.78 0.23 2.55 5.68 -1.26 -5.01 116.55 124.02 3i3y n ASP 250 Ca 0.28 -1.89 0.09 0.00 -0.50 0.00 0.00 54.79 52.76 3i3y n ASP 250 Cb -0.01 0.29 0.58 0.00 -1.14 0.00 0.00 41.12 40.84 3i3y n ASP 250 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i3y h ALA 251 N 1.19 1.37 0.01 2.12 0.00 -1.99 -2.69 119.26 119.27 3i3y h ALA 251 Ca -0.15 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.34 3i3y h ALA 251 Cb 0.51 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3i3y h ALA 251 CO 0.24 0.25 -0.99 1.25 0.00 0.00 0.00 179.25 180.00 3i3y h LEU 252 N 0.00 0.61 -0.97 0.00 5.85 -1.99 -2.19 115.31 116.63 3i3y h LEU 252 Ca -0.00 -0.50 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 3i3y h LEU 252 Cb 0.44 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3i3y h LEU 252 CO 0.03 1.31 0.44 0.00 -0.34 0.00 0.00 178.44 179.87 3i3y h ALA 253 N 0.65 1.21 -0.42 1.25 0.00 -1.86 -0.61 119.26 119.47 3i3y h ALA 253 Ca -0.10 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 3i3y h ALA 253 Cb 1.64 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3i3y h ALA 253 CO 0.18 0.63 -0.26 -0.07 0.00 0.00 0.00 179.25 179.73 3i3y h LEU 254 N 1.17 0.91 -0.38 0.00 4.07 -1.49 -0.76 115.31 118.84 3i3y h LEU 254 Ca 0.29 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.90 3i3y h LEU 254 Cb 0.05 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.52 3i3y h LEU 254 CO -0.04 1.12 0.25 0.00 -1.08 0.00 0.00 178.44 178.68 3i3y h ALA 255 N 0.94 0.48 -0.35 1.53 0.00 -0.79 -0.14 119.26 120.93 3i3y h ALA 255 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3i3y h ALA 255 Cb 0.81 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3i3y h ALA 255 CO 0.07 -0.06 0.18 0.45 0.00 0.00 0.00 179.25 179.89 3i3y h HIS 256 N 0.51 0.49 -0.64 0.00 3.86 -0.97 -2.71 115.15 115.69 3i3y h HIS 256 Ca 0.14 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.36 3i3y h HIS 256 Cb -0.06 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.22 3i3y h HIS 256 CO -0.05 0.40 0.39 0.00 0.86 0.00 0.00 177.93 179.54 3i3y h ALA 257 N 1.04 0.84 -0.35 2.45 0.00 -0.71 -1.05 119.26 121.48 3i3y h ALA 257 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3i3y h ALA 257 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3i3y h ALA 257 CO -0.02 0.13 0.10 0.77 0.00 0.00 0.00 179.25 180.24 3i3y h SER 258 N 0.76 0.45 0.03 0.00 0.02 -0.88 -0.30 113.55 113.64 3i3y h SER 258 Ca 0.26 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3i3y h SER 258 Cb 0.04 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3i3y h SER 258 CO -0.11 0.45 -0.02 0.03 -1.14 0.00 0.00 176.83 176.04 3i3y h ARG 259 N 0.49 -0.04 -0.94 3.45 -0.00 -1.06 -2.38 114.38 113.91 3i3y h ARG 259 Ca 0.12 0.00 0.01 0.00 -0.50 0.00 0.00 59.98 59.61 3i3y h ARG 259 Cb 0.17 0.01 -0.05 0.00 0.00 0.00 0.00 29.97 30.10 3i3y h ARG 259 CO -0.01 0.30 0.62 0.00 0.00 0.00 0.00 179.97 180.88 3i3y h ALA 260 N 0.56 1.34 -0.31 0.04 0.00 -0.75 -2.37 119.26 117.76 3i3y h ALA 260 Ca -0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3i3y h ALA 260 Cb 0.36 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3i3y h ALA 260 CO 0.01 0.61 -0.24 0.00 0.00 0.00 0.00 179.25 179.63 3i3y h ALA 261 N 1.42 1.00 -0.67 0.00 0.00 -1.04 -2.86 119.26 117.10 3i3y h ALA 261 Ca 0.35 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3i3y h ALA 261 Cb -0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3i3y h ALA 261 CO -0.08 0.59 0.42 0.00 0.00 0.00 0.00 179.25 180.18 3i3y h ALA 262 N 1.20 0.87 -0.45 0.00 0.00 -0.89 -1.71 119.26 118.29 3i3y h ALA 262 Ca 0.08 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3i3y h ALA 262 Cb 0.70 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3i3y h ALA 262 CO 0.05 0.19 0.29 0.82 0.00 0.00 0.00 179.25 180.60 3i3y h ILE 263 N 0.83 1.10 -0.85 0.00 2.04 -1.34 -2.43 117.51 116.85 3i3y h ILE 263 Ca 0.27 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.96 3i3y h ILE 263 Cb 0.01 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 3i3y h ILE 263 CO -0.10 0.11 0.56 0.74 0.00 0.00 0.00 178.15 179.45 3i3y h THR 264 N 0.59 1.13 0.00 -0.27 2.02 -1.23 -2.04 112.91 113.11 3i3y h THR 264 Ca 0.17 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3i3y h THR 264 Cb -0.05 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.36 3i3y h THR 264 CO -0.05 0.19 0.00 1.33 0.37 0.00 0.00 175.52 177.36 3i3y n VAL 265 N -4.45 0.58 1.50 3.16 0.24 -0.71 -2.95 118.33 115.69 3i3y n VAL 265 Ca 0.11 -0.17 0.14 0.00 -2.04 0.00 0.00 64.34 62.39 3i3y n VAL 265 Cb 0.12 -0.67 0.58 0.00 -1.47 0.00 0.00 33.84 32.40 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 -2.17 0.89 -4.78 -1.34 3.41 -0.77 0.11 113.62 108.97 3i3y n SER 266 Ca 0.05 -1.04 -0.28 0.00 -0.26 0.00 0.00 58.87 57.34 3i3y n SER 266 Cb 0.39 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.28 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 -2.23 2.20 0.08 4.33 3.00 -1.15 -4.75 118.95 120.42 3i3y s ARG 267 Ca 0.34 -2.11 0.05 0.00 0.00 0.00 0.00 55.73 54.02 3i3y s ARG 267 Cb 0.21 -1.83 -0.04 0.00 0.00 0.00 0.00 34.95 33.29 3i3y s ARG 267 CO 0.42 -0.33 -0.06 1.03 0.00 0.00 0.00 175.30 176.35 3i3y s ARG 268 N -3.98 2.36 0.39 3.54 0.52 -1.26 -3.24 118.95 117.28 3i3y s ARG 268 Ca 0.26 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 3i3y s ARG 268 Cb 0.02 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 33.06 3i3y s ARG 268 CO 0.15 0.54 0.00 0.41 0.02 0.00 0.00 175.30 176.42 3i3y n GLY 269 N 0.83 -2.19 0.00 -3.53 0.00 -1.26 -4.01 105.19 95.03 3i3y n GLY 269 Ca -0.13 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.13 3i3y n GLY 269 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i3y n THR 270 N -0.10 0.00 -0.23 2.61 -1.04 -1.26 -4.49 114.28 109.77 3i3y n THR 270 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 3i3y n THR 270 Cb 0.00 -0.14 0.09 0.00 -1.82 0.00 0.00 70.33 68.46 3i3y n THR 270 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3i3y h LEU 271 N 0.00 -0.52 0.00 -4.42 5.85 -1.85 0.25 115.31 114.62 3i3y h LEU 271 Ca 0.00 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3i3y h LEU 271 Cb 0.00 0.38 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3i3y h LEU 271 CO 0.00 -0.20 0.00 -1.54 -0.34 0.00 0.00 178.44 176.36 3i3y n SER 272 N -5.40 0.00 -0.01 1.25 3.41 -1.26 -1.72 113.62 109.88 3i3y n SER 272 Ca 0.09 -0.19 0.03 0.00 -0.26 0.00 0.00 58.87 58.54 3i3y n SER 272 Cb 0.37 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 3i3y n SER 272 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3y n ALA 273 N -0.98 2.80 -1.77 7.33 0.00 0.86 -4.82 120.51 123.94 3i3y n ALA 273 Ca 0.04 -0.20 -0.37 0.00 0.00 0.00 0.00 53.44 52.91 3i3y n ALA 273 Cb 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.54 3.06 0.81 0.00 0.08 -0.70 -4.15 117.98 115.54 3i3y s PHE 274 Ca 0.03 1.57 -0.13 0.00 0.12 0.00 0.00 56.93 58.51 3i3y s PHE 274 Cb 0.05 -3.33 0.08 0.00 -0.57 0.00 0.00 43.02 39.25 3i3y s PHE 274 CO 0.25 -1.21 1.21 -2.14 -0.10 0.00 0.00 175.22 173.23 3i3y s PRO 275 N -2.45 1.61 0.25 0.24 0.02 -1.26 -5.01 135.00 128.40 3i3y s PRO 275 Ca 0.59 1.78 0.06 0.00 0.02 0.00 0.00 61.00 63.45 3i3y s PRO 275 Cb -0.28 -1.77 -0.03 0.00 0.02 0.00 0.00 34.50 32.44 3i3y s PRO 275 CO 0.35 -2.24 0.28 0.20 -0.33 0.00 0.00 177.00 175.26 3i3y s GLY 276 N -2.13 1.33 0.38 0.52 0.00 -1.26 -4.87 107.32 101.29 3i3y s GLY 276 Ca 0.74 -1.34 0.22 0.00 0.00 0.00 0.00 44.72 44.34 3i3y s GLY 276 CO 0.51 -1.36 1.59 1.76 0.00 0.00 0.00 173.10 175.59 3i3y h SER 277 N 1.32 0.31 0.00 1.64 0.02 -1.96 0.25 113.55 115.13 3i3y h SER 277 Ca -0.50 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3i3y h SER 277 Cb 1.24 0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.02 3i3y h SER 277 CO 0.61 -0.39 0.00 -1.14 -1.14 0.00 0.00 176.83 174.76 3i3y n ARG 278 N -5.16 0.00 -0.12 3.45 3.00 -1.26 -0.25 116.66 116.31 3i3y n ARG 278 Ca 0.38 0.60 -0.06 0.00 -0.00 0.00 0.00 57.85 58.77 3i3y n ARG 278 Cb 1.32 -1.17 0.02 0.00 0.00 0.00 0.00 32.46 32.63 3i3y n ARG 278 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3i3y h GLU 279 N 0.00 0.35 -0.04 -0.14 5.08 -0.98 -3.17 114.58 115.69 3i3y h GLU 279 Ca 0.00 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3i3y h GLU 279 Cb 0.00 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3i3y h GLU 279 CO 0.00 0.23 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.09 3i3y h LEU 280 N 0.36 -0.26 -0.54 1.33 3.38 -0.83 -2.04 115.31 116.71 3i3y h LEU 280 Ca 0.17 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.30 3i3y h LEU 280 Cb 0.11 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.89 3i3y h LEU 280 CO -0.15 -0.12 0.02 0.00 0.09 0.00 0.00 178.44 178.28 3i3y h ALA 281 N 0.88 0.54 0.00 1.53 0.00 -0.59 0.43 119.26 122.04 3i3y h ALA 281 Ca 0.05 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3i3y h ALA 281 Cb 0.19 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3i3y h ALA 281 CO -0.11 -0.38 -0.23 0.00 0.00 0.00 0.00 179.25 178.53 3i3y h ALA 282 N 1.48 1.18 0.24 0.00 0.00 -1.52 -2.94 119.26 117.69 3i3y h ALA 282 Ca 0.28 -0.21 -0.32 0.00 0.00 0.00 0.00 54.91 54.66 3i3y h ALA 282 Cb 0.43 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.22 3i3y h ALA 282 CO -0.44 0.29 -1.39 1.25 0.00 0.00 0.00 179.25 178.96 3i3y h LEU 283 N 0.00 0.81 -0.33 0.00 6.46 -0.08 -3.33 115.31 118.84 3i3y h LEU 283 Ca -0.00 -0.92 0.00 0.00 -0.12 0.00 0.00 57.88 56.84 3i3y h LEU 283 Cb 0.59 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 3i3y h LEU 283 CO 0.03 1.67 0.00 -0.07 -0.62 0.00 0.00 178.44 179.45 3i3y h LEU 284 N 0.08 0.00 0.00 2.25 3.38 -0.21 -3.48 115.31 117.34 3i3y h LEU 284 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3i3y h LEU 284 Cb 2.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.85 3i3y h LEU 284 CO 0.26 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.14