#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3x s LYS 2 N 0.00 4.37 -0.07 0.03 2.47 -1.26 -4.90 119.74 120.39 3i3x s LYS 2 Ca 0.00 0.93 0.04 0.00 -1.56 0.00 0.00 55.97 55.39 3i3x s LYS 2 Cb 0.00 -3.51 -0.02 0.00 -1.46 0.00 0.00 37.83 32.85 3i3x s LYS 2 CO 0.00 -0.11 -0.20 0.42 0.16 0.00 0.00 175.35 175.62 3i3x s ILE 3 N 1.40 2.52 0.25 5.43 1.01 -1.26 -3.72 121.20 126.83 3i3x s ILE 3 Ca 0.38 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 3i3x s ILE 3 Cb -0.17 -1.97 -0.09 0.00 0.01 0.00 0.00 42.46 40.24 3i3x s ILE 3 CO 0.16 0.57 1.21 -2.28 0.00 0.00 0.00 174.94 174.60 3i3x s HIS 4 N -0.26 3.36 0.52 3.97 2.46 -0.42 -4.95 115.29 119.97 3i3x s HIS 4 Ca 0.00 1.47 0.16 0.00 0.47 0.00 0.00 55.06 57.17 3i3x s HIS 4 Cb -0.13 -3.47 1.27 0.00 -0.13 0.00 0.00 32.58 30.12 3i3x s HIS 4 CO 0.03 -1.26 2.14 -1.35 -2.47 0.00 0.00 174.74 171.83 3i3x h PRO 5 N 4.40 0.01 -0.74 2.88 0.11 -1.94 -2.84 132.00 133.87 3i3x h PRO 5 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3i3x h PRO 5 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3i3x h PRO 5 CO 0.71 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.75 3i3x n THR 6 N -4.53 1.11 -3.49 -1.15 -2.24 -1.26 -4.87 114.28 97.85 3i3x n THR 6 Ca -0.02 -0.59 -0.38 0.00 -2.27 0.00 0.00 64.05 60.79 3i3x n THR 6 Cb 0.11 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 67.97 3i3x n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3x s ALA 7 N -1.75 3.64 -0.67 6.98 0.00 -1.07 -3.03 121.76 125.86 3i3x s ALA 7 Ca 0.24 -0.28 -0.17 0.00 0.00 0.00 0.00 51.96 51.75 3i3x s ALA 7 Cb 0.17 -2.42 0.14 0.00 0.00 0.00 0.00 23.12 21.02 3i3x s ALA 7 CO 0.08 0.30 0.69 0.42 0.00 0.00 0.00 175.76 177.26 3i3x s ILE 8 N -0.39 5.14 -0.16 0.00 -1.09 -0.39 -4.99 121.20 119.32 3i3x s ILE 8 Ca 0.22 -1.60 -0.01 0.00 -2.23 0.00 0.00 60.65 57.04 3i3x s ILE 8 Cb -0.15 -4.46 -0.01 0.00 -1.58 0.00 0.00 42.46 36.26 3i3x s ILE 8 CO 0.10 -1.05 -0.12 -0.63 -1.23 0.00 0.00 174.94 172.00 3i3x s ILE 9 N 1.68 2.91 0.29 2.92 1.01 -1.26 -0.52 121.20 128.23 3i3x s ILE 9 Ca 0.12 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 3i3x s ILE 9 Cb -0.21 -2.25 -0.13 0.00 0.01 0.00 0.00 42.46 39.89 3i3x s ILE 9 CO -0.00 0.50 1.38 -0.67 0.00 0.00 0.00 174.94 176.15 3i3x n ASP 10 N 4.06 2.89 -0.33 3.58 -0.08 -0.41 -4.91 116.55 121.35 3i3x n ASP 10 Ca -0.19 1.17 0.12 0.00 -1.51 0.00 0.00 54.79 54.38 3i3x n ASP 10 Cb 0.52 -1.47 0.30 0.00 2.34 0.00 0.00 41.12 42.81 3i3x n ASP 10 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3i3x h PRO 11 N 3.62 0.66 0.00 -0.67 0.13 -1.93 -2.84 132.00 130.96 3i3x h PRO 11 Ca -0.46 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 3i3x h PRO 11 Cb 1.27 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3i3x h PRO 11 CO 0.71 0.43 -0.12 0.87 -0.23 0.00 0.00 178.00 179.66 3i3x h LYS 12 N 0.68 0.00 -6.41 0.86 1.57 -1.92 -3.45 116.57 107.89 3i3x h LYS 12 Ca 0.56 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.73 3i3x h LYS 12 Cb 0.89 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.25 3i3x h LYS 12 CO -0.40 0.12 0.84 0.00 -0.57 0.00 0.00 179.45 179.44 3i3x n ALA 13 N -2.15 0.94 -3.04 3.86 0.00 -1.08 -4.68 120.51 114.36 3i3x n ALA 13 Ca 0.01 0.41 -0.44 0.00 0.00 0.00 0.00 53.44 53.42 3i3x n ALA 13 Cb 0.43 -2.36 -0.01 0.00 0.00 0.00 0.00 19.45 17.51 3i3x n ALA 13 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i3x s GLU 14 N 1.78 3.95 -0.13 0.00 2.02 0.20 -4.97 118.70 121.55 3i3x s GLU 14 Ca 0.84 -2.47 -0.11 0.00 0.02 0.00 0.00 54.97 53.25 3i3x s GLU 14 Cb -0.73 -4.89 -0.05 0.00 0.10 0.00 0.00 34.13 28.57 3i3x s GLU 14 CO 0.43 -1.64 0.22 -0.51 0.02 0.00 0.00 175.26 173.78 3i3x s LEU 15 N 1.27 4.32 0.90 1.80 1.43 -1.26 -1.07 118.68 126.06 3i3x s LEU 15 Ca 0.36 0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 53.85 3i3x s LEU 15 Cb -0.05 -2.23 0.14 0.00 0.03 0.00 0.00 46.19 44.07 3i3x s LEU 15 CO -0.04 0.26 1.13 -2.28 0.23 0.00 0.00 176.35 175.65 3i3x s HIS 16 N -0.31 1.78 0.13 0.29 5.65 -0.41 -4.94 115.29 117.48 3i3x s HIS 16 Ca 0.15 1.72 0.20 0.00 0.25 0.00 0.00 55.06 57.38 3i3x s HIS 16 Cb -0.13 -3.28 0.70 0.00 -1.18 0.00 0.00 32.58 28.70 3i3x s HIS 16 CO 0.04 -2.67 1.74 1.05 -0.65 0.00 0.00 174.74 174.24 3i3x h GLU 17 N -1.77 0.00 0.00 2.88 -0.00 -1.94 -3.09 114.58 110.65 3i3x h GLU 17 Ca -0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 58.84 3i3x h GLU 17 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.00 3i3x h GLU 17 CO 0.44 0.34 -0.37 0.66 -0.00 0.00 0.00 179.01 180.08 3i3x h SER 18 N 0.00 0.00 -3.20 3.06 4.64 -1.92 -3.39 113.55 112.74 3i3x h SER 18 Ca -0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 3i3x h SER 18 Cb 0.89 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.13 3i3x h SER 18 CO 0.04 0.37 0.05 0.52 -0.87 0.00 0.00 176.83 176.95 3i3x n VAL 19 N -3.34 2.81 -4.98 0.95 0.31 -1.17 -3.65 118.33 109.26 3i3x n VAL 19 Ca 0.01 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.55 3i3x n VAL 19 Cb 0.58 -1.07 -0.17 0.00 -0.91 0.00 0.00 33.84 32.28 3i3x n VAL 19 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3i3x s GLU 20 N -2.26 2.41 -0.13 5.55 2.02 -1.07 -4.25 118.70 120.97 3i3x s GLU 20 Ca 0.68 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.98 3i3x s GLU 20 Cb -0.49 -1.91 0.02 0.00 0.10 0.00 0.00 34.13 31.85 3i3x s GLU 20 CO 0.53 0.16 -0.14 0.08 0.02 0.00 0.00 175.26 175.92 3i3x s VAL 21 N 0.34 1.45 0.73 2.63 1.01 -1.24 0.14 120.40 125.45 3i3x s VAL 21 Ca -0.14 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 3i3x s VAL 21 Cb -0.16 -1.36 0.16 0.00 0.00 0.00 0.00 36.38 35.03 3i3x s VAL 21 CO 0.06 0.44 0.99 0.61 0.00 0.00 0.00 175.10 177.19 3i3x n GLY 22 N 4.55 -0.82 3.74 4.51 0.00 -0.30 -1.31 105.19 115.56 3i3x n GLY 22 Ca -0.17 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 3i3x n GLY 22 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i3x s PRO 23 N -5.11 4.19 -1.34 1.61 0.02 -1.26 -3.35 135.00 129.75 3i3x s PRO 23 Ca 0.58 2.45 0.00 0.00 0.02 0.00 0.00 61.00 64.06 3i3x s PRO 23 Cb -0.02 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.43 3i3x s PRO 23 CO 0.40 -0.56 0.00 0.66 -0.33 0.00 0.00 177.00 177.18 3i3x n TYR 24 N 2.53 0.00 -2.21 6.54 4.02 -1.17 -1.41 117.16 125.46 3i3x n TYR 24 Ca 0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.65 3i3x n TYR 24 Cb 0.38 -2.42 -0.01 0.00 -0.02 0.00 0.00 39.34 37.28 3i3x n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3i3x s SER 25 N -2.74 6.25 -0.19 7.72 0.01 -1.21 -3.93 113.70 119.60 3i3x s SER 25 Ca 0.00 1.66 -0.01 0.00 1.31 0.00 0.00 55.95 58.91 3i3x s SER 25 Cb 0.00 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.77 3i3x s SER 25 CO 0.00 -0.85 -0.03 -0.63 0.41 0.00 0.00 173.24 172.14 3i3x s ILE 26 N -2.60 1.07 -0.15 1.44 1.01 -0.03 -1.26 121.20 120.67 3i3x s ILE 26 Ca 0.60 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 3i3x s ILE 26 Cb -0.12 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 3i3x s ILE 26 CO 0.35 -0.04 -0.05 -0.63 0.00 0.00 0.00 174.94 174.57 3i3x s ILE 27 N 1.62 3.76 0.74 2.92 1.01 0.32 -1.49 121.20 130.08 3i3x s ILE 27 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.22 3i3x s ILE 27 Cb -0.17 -2.63 0.14 0.00 0.01 0.00 0.00 42.46 39.81 3i3x s ILE 27 CO -0.07 0.50 1.02 -1.61 0.00 0.00 0.00 174.94 174.78 3i3x s GLU 28 N 0.30 1.55 0.70 2.79 2.02 -0.66 -1.29 118.70 124.12 3i3x s GLU 28 Ca -0.05 -1.26 -0.11 0.00 0.02 0.00 0.00 54.97 53.57 3i3x s GLU 28 Cb -0.14 -2.34 0.01 0.00 0.10 0.00 0.00 34.13 31.76 3i3x s GLU 28 CO 0.03 -1.54 1.06 0.20 0.02 0.00 0.00 175.26 175.03 3i3x s GLY 29 N -4.80 1.65 -0.82 -1.39 0.00 -1.26 -4.18 107.32 96.52 3i3x s GLY 29 Ca 0.68 -0.06 -0.02 0.00 0.00 0.00 0.00 44.72 45.32 3i3x s GLY 29 CO 0.45 0.27 0.70 -2.01 0.00 0.00 0.00 173.10 172.52 3i3x n ASN 30 N -3.10 -3.23 -4.00 1.64 2.85 -1.26 -4.06 115.26 104.10 3i3x n ASN 30 Ca 0.07 -0.38 -0.24 0.00 -0.11 0.00 0.00 54.58 53.92 3i3x n ASN 30 Cb 0.55 -3.48 -0.17 0.00 1.24 0.00 0.00 39.78 37.92 3i3x n ASN 30 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3i3x s VAL 31 N -3.22 1.08 -0.16 3.44 1.01 -1.26 -1.25 120.40 120.04 3i3x s VAL 31 Ca 0.16 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3i3x s VAL 31 Cb -0.07 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 3i3x s VAL 31 CO 0.47 0.35 -0.16 -0.94 0.00 0.00 0.00 175.10 174.82 3i3x s SER 32 N 0.79 3.61 -0.14 3.32 1.04 -0.39 0.63 113.70 122.55 3i3x s SER 32 Ca -0.12 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 55.82 3i3x s SER 32 Cb -0.15 -1.55 0.03 0.00 0.10 0.00 0.00 66.02 64.44 3i3x s SER 32 CO 0.02 0.08 -0.10 -0.63 0.98 0.00 0.00 173.24 173.59 3i3x s ILE 33 N 0.85 1.30 0.10 -1.02 1.01 -0.24 0.78 121.20 123.98 3i3x s ILE 33 Ca -0.05 -0.53 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 3i3x s ILE 33 Cb -0.15 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.04 3i3x s ILE 33 CO -0.01 0.36 0.13 0.00 0.00 0.00 0.00 174.94 175.42 3i3x n GLN 34 N 4.85 0.36 -2.19 2.79 6.02 -0.33 -1.29 117.38 127.59 3i3x n GLN 34 Ca -0.14 -0.32 -0.42 0.00 -0.01 0.00 0.00 57.00 56.11 3i3x n GLN 34 Cb 0.49 -0.10 -0.03 0.00 1.02 0.00 0.00 30.24 31.62 3i3x n GLN 34 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3i3x s GLU 35 N -2.88 4.36 0.00 -1.09 2.12 -1.26 -3.52 118.70 116.43 3i3x s GLU 35 Ca 0.08 2.06 0.00 0.00 0.36 0.00 0.00 54.97 57.48 3i3x s GLU 35 Cb -0.00 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.17 3i3x s GLU 35 CO 0.06 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 174.85 3i3x n GLY 36 N 2.87 1.25 3.66 -1.50 0.00 -1.26 -1.00 105.19 109.21 3i3x n GLY 36 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3i3x n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3x s THR 37 N -2.76 3.85 -0.22 2.61 2.01 -1.23 -4.12 115.64 115.79 3i3x s THR 37 Ca 0.00 1.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.99 3i3x s THR 37 Cb 0.00 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 3i3x s THR 37 CO 0.00 -0.08 0.07 -0.63 -0.69 0.00 0.00 174.62 173.29 3i3x s ILE 38 N 3.64 4.57 -0.13 1.82 1.01 -0.24 -2.61 121.20 129.26 3i3x s ILE 38 Ca 0.65 -0.10 -0.02 0.00 0.00 0.00 0.00 60.65 61.19 3i3x s ILE 38 Cb -0.29 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 3i3x s ILE 38 CO 0.24 0.39 -0.05 -0.63 0.00 0.00 0.00 174.94 174.88 3i3x s ILE 39 N 1.07 3.79 0.00 2.92 1.01 0.12 -1.28 121.20 128.83 3i3x s ILE 39 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3i3x s ILE 39 Cb -0.14 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.71 3i3x s ILE 39 CO 0.03 0.53 0.00 -0.62 0.00 0.00 0.00 174.94 174.88 3i3x n GLU 40 N 3.13 3.53 -3.42 2.79 1.02 -0.02 -1.15 120.64 126.52 3i3x n GLU 40 Ca -0.18 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.72 3i3x n GLU 40 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.93 3i3x n GLU 40 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i3x s GLY 41 N 0.00 1.40 -1.14 0.62 0.00 -1.26 -1.38 107.32 105.56 3i3x s GLY 41 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.83 3i3x s GLY 41 CO 0.00 -0.83 0.00 1.42 0.00 0.00 0.00 173.10 173.69 3i3x n HIS 42 N -1.63 -0.69 -2.83 1.90 8.25 -0.50 -1.95 115.22 117.76 3i3x n HIS 42 Ca -0.05 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.01 3i3x n HIS 42 Cb 0.56 -2.40 -0.05 0.00 1.12 0.00 0.00 29.99 29.21 3i3x n HIS 42 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3i3x s VAL 43 N -2.10 4.41 -0.18 1.59 1.01 -1.26 -3.20 120.40 120.67 3i3x s VAL 43 Ca 0.00 1.92 -0.01 0.00 0.00 0.00 0.00 61.98 63.89 3i3x s VAL 43 Cb 0.00 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 3i3x s VAL 43 CO 0.00 0.41 -0.11 -0.75 0.00 0.00 0.00 175.10 174.65 3i3x s LYS 44 N -0.52 3.28 -0.30 2.72 2.20 -0.70 -0.85 119.74 125.56 3i3x s LYS 44 Ca 0.42 -0.70 -0.05 0.00 -0.36 0.00 0.00 55.97 55.28 3i3x s LYS 44 Cb -0.23 -2.77 0.03 0.00 -1.51 0.00 0.00 37.83 33.34 3i3x s LYS 44 CO 0.28 -0.07 0.05 0.42 -0.36 0.00 0.00 175.35 175.68 3i3x s ILE 45 N 1.07 3.56 0.54 5.43 -1.09 -0.56 -0.31 121.20 129.83 3i3x s ILE 45 Ca -0.00 -1.02 -0.05 0.00 -2.23 0.00 0.00 60.65 57.35 3i3x s ILE 45 Cb -0.15 -2.93 -0.01 0.00 -1.58 0.00 0.00 42.46 37.80 3i3x s ILE 45 CO -0.03 -0.02 0.84 0.00 -1.23 0.00 0.00 174.94 174.50 3i3x n ALA 47 N -2.42 1.43 0.00 0.00 0.00 -1.26 -2.74 120.51 115.53 3i3x n ALA 47 Ca 0.03 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3i3x n ALA 47 Cb 0.57 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3i3x n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3x n GLY 48 N 1.81 0.45 3.64 0.00 0.00 -0.38 -4.82 105.19 105.89 3i3x n GLY 48 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3i3x n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i3x s SER 49 N -2.36 6.73 -0.42 1.61 0.01 -1.11 -1.62 113.70 116.54 3i3x s SER 49 Ca 0.00 0.90 -0.01 0.00 1.31 0.00 0.00 55.95 58.15 3i3x s SER 49 Cb 0.00 -2.39 0.11 0.00 0.21 0.00 0.00 66.02 63.95 3i3x s SER 49 CO 0.00 -0.42 0.20 -1.61 0.41 0.00 0.00 173.24 171.82 3i3x s GLU 50 N 2.55 1.96 -0.16 12.44 2.02 0.56 -1.26 118.70 136.80 3i3x s GLU 50 Ca 0.31 -1.94 -0.07 0.00 0.02 0.00 0.00 54.97 53.30 3i3x s GLU 50 Cb -0.16 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.52 3i3x s GLU 50 CO 0.08 -1.06 0.06 0.42 0.02 0.00 0.00 175.26 174.79 3i3x s ILE 51 N 0.91 4.81 0.00 -1.63 1.01 0.23 -1.48 121.20 125.05 3i3x s ILE 51 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.72 3i3x s ILE 51 Cb -0.22 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.11 3i3x s ILE 51 CO -0.05 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.00 3i3x n GLY 52 N 3.18 1.03 3.89 6.18 0.00 -0.43 -1.18 105.19 117.87 3i3x n GLY 52 Ca -0.17 -1.50 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 3i3x n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3x s LYS 53 N 0.56 3.49 -1.75 1.61 1.02 -1.24 -3.05 119.74 120.37 3i3x s LYS 53 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 55.81 3i3x s LYS 53 Cb 0.00 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 3i3x s LYS 53 CO 0.00 0.70 0.00 1.19 -0.92 0.00 0.00 175.35 176.32 3i3x n PHE 54 N 1.31 -0.94 -2.03 3.18 3.72 -0.17 -0.99 117.46 121.54 3i3x n PHE 54 Ca -0.14 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.96 3i3x n PHE 54 Cb 0.53 -3.78 0.01 0.00 -0.94 0.00 0.00 39.48 35.31 3i3x n PHE 54 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3i3x s ASN 55 N -2.12 6.17 -0.02 4.37 0.01 -1.26 -3.65 114.94 118.44 3i3x s ASN 55 Ca 0.00 1.29 0.02 0.00 -0.71 0.00 0.00 52.86 53.46 3i3x s ASN 55 Cb 0.00 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 39.29 3i3x s ASN 55 CO 0.00 -0.85 -0.08 -0.60 -1.51 0.00 0.00 177.10 174.06 3i3x s ARG 56 N -5.11 0.79 -0.30 -0.60 3.52 -0.41 -1.07 118.95 115.76 3i3x s ARG 56 Ca 0.54 -0.25 0.02 0.00 -0.13 0.00 0.00 55.73 55.91 3i3x s ARG 56 Cb -0.11 -0.75 0.09 0.00 -1.56 0.00 0.00 34.95 32.62 3i3x s ARG 56 CO 0.52 0.10 0.03 -0.06 -0.81 0.00 0.00 175.30 175.08 3i3x s PHE 57 N 0.17 2.91 0.96 5.12 0.40 -0.40 -0.60 117.98 126.54 3i3x s PHE 57 Ca -0.02 -2.36 -0.12 0.00 -0.60 0.00 0.00 56.93 53.82 3i3x s PHE 57 Cb -0.07 -2.26 0.17 0.00 0.51 0.00 0.00 43.02 41.37 3i3x s PHE 57 CO 0.00 -0.89 1.10 -1.01 0.70 0.00 0.00 175.22 175.12 3i3x s HIS 58 N 1.21 2.22 -0.09 0.36 3.76 0.23 -0.84 115.29 122.14 3i3x s HIS 58 Ca 0.06 1.04 -0.38 0.00 -0.15 0.00 0.00 55.06 55.62 3i3x s HIS 58 Cb -0.19 -3.25 -0.16 0.00 1.11 0.00 0.00 32.58 30.09 3i3x s HIS 58 CO -0.12 -2.68 1.54 0.94 -0.85 0.00 0.00 174.74 173.57 3i3x n GLN 59 N -4.04 1.17 -0.40 1.40 7.27 -1.26 -2.43 117.38 119.08 3i3x n GLN 59 Ca 0.06 0.42 0.00 0.00 0.07 0.00 0.00 57.00 57.55 3i3x n GLN 59 Cb 0.57 -2.09 0.00 0.00 2.41 0.00 0.00 30.24 31.13 3i3x n GLN 59 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i3x n GLY 60 N 3.35 1.45 3.73 1.69 0.00 -0.82 -2.02 105.19 112.56 3i3x n GLY 60 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3i3x n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3x n ALA 61 N -0.14 1.65 -3.91 4.61 0.00 -1.02 -3.98 120.51 117.71 3i3x n ALA 61 Ca 0.00 0.31 -0.28 0.00 0.00 0.00 0.00 53.44 53.47 3i3x n ALA 61 Cb 0.00 -2.32 -0.17 0.00 0.00 0.00 0.00 19.45 16.97 3i3x n ALA 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i3x s VAL 62 N -1.15 1.11 -0.13 0.00 1.01 -0.36 -1.72 120.40 119.17 3i3x s VAL 62 Ca 0.57 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.13 3i3x s VAL 62 Cb -0.51 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 34.69 3i3x s VAL 62 CO 0.61 0.29 -0.21 -0.63 0.00 0.00 0.00 175.10 175.15 3i3x s ILE 63 N 1.66 2.20 -0.74 2.22 -1.09 0.57 -0.94 121.20 125.08 3i3x s ILE 63 Ca 0.03 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 3i3x s ILE 63 Cb -0.14 -1.87 0.00 0.00 -1.58 0.00 0.00 42.46 38.87 3i3x s ILE 63 CO -0.08 0.55 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 3i3x n GLY 64 N 3.82 0.49 3.68 6.18 0.00 0.23 -0.52 105.19 119.06 3i3x n GLY 64 Ca -0.19 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 3i3x n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i3x s VAL 65 N -2.34 2.43 0.32 1.61 -7.23 -1.00 -4.17 120.40 110.02 3i3x s VAL 65 Ca 0.00 0.14 -0.29 0.00 -1.81 0.00 0.00 61.98 60.02 3i3x s VAL 65 Cb 0.00 -2.53 -0.12 0.00 0.56 0.00 0.00 36.38 34.29 3i3x s VAL 65 CO 0.00 -0.18 1.38 0.23 -0.31 0.00 0.00 175.10 176.22 3i3x n MET 66 N -4.10 2.26 -1.62 4.82 2.81 -1.26 -1.56 117.12 118.47 3i3x n MET 66 Ca 0.06 0.80 -0.46 0.00 -1.81 0.00 0.00 57.70 56.29 3i3x n MET 66 Cb 0.55 -2.44 -0.03 0.00 -0.71 0.00 0.00 33.22 30.59 3i3x n MET 66 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3i3x n PRO 67 N 1.05 1.52 -1.71 0.03 -0.02 -1.26 -4.77 135.00 129.84 3i3x n PRO 67 Ca 0.06 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 3i3x n PRO 67 Cb 0.36 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 3i3x n PRO 67 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i3x n GLN 68 N 1.47 3.39 -3.75 -0.52 6.02 -1.26 -4.79 117.38 117.94 3i3x n GLN 68 Ca 0.12 -2.69 -0.26 0.00 -0.01 0.00 0.00 57.00 54.16 3i3x n GLN 68 Cb 0.29 -3.02 -0.17 0.00 1.02 0.00 0.00 30.24 28.36 3i3x n GLN 68 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3i3x s ASP 69 N 2.28 2.51 0.39 1.08 3.68 -1.26 -5.03 116.67 120.32 3i3x s ASP 69 Ca 0.54 -0.59 0.28 0.00 2.13 0.00 0.00 52.55 54.90 3i3x s ASP 69 Cb 0.15 -0.57 1.20 0.00 -1.45 0.00 0.00 42.92 42.25 3i3x s ASP 69 CO -0.07 -0.27 1.84 -0.07 0.13 0.00 0.00 175.17 176.74 3i3x h LEU 70 N 8.26 0.00 -1.65 -1.34 4.07 -2.04 -2.40 115.31 120.22 3i3x h LEU 70 Ca -0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.78 3i3x h LEU 70 Cb 1.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.86 3i3x h LEU 70 CO 0.32 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.29 3i3x n GLY 71 N -0.09 0.91 3.77 0.83 0.00 -1.26 -4.97 105.19 104.38 3i3x n GLY 71 Ca 0.01 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 3i3x n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i3x s PHE 72 N -1.69 3.90 -0.49 1.61 5.36 -0.91 -5.02 117.98 120.74 3i3x s PHE 72 Ca 0.35 1.65 -0.23 0.00 -0.96 0.00 0.00 56.93 57.73 3i3x s PHE 72 Cb 0.20 -2.80 0.03 0.00 -0.34 0.00 0.00 43.02 40.12 3i3x s PHE 72 CO 0.29 0.48 0.85 1.21 -1.46 0.00 0.00 175.22 176.59 3i3x s ASN 73 N -1.02 6.38 0.29 6.13 2.47 -1.26 -4.93 114.94 123.00 3i3x s ASN 73 Ca 0.37 -0.24 0.25 0.00 0.42 0.00 0.00 52.86 53.66 3i3x s ASN 73 Cb -0.23 -2.41 1.03 0.00 -1.45 0.00 0.00 41.25 38.19 3i3x s ASN 73 CO 0.27 -1.05 1.74 1.56 -3.72 0.00 0.00 177.10 175.89 3i3x h GLN 74 N 9.12 0.00 0.00 0.43 4.20 -1.98 -2.01 115.11 124.87 3i3x h GLN 74 Ca -0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.46 3i3x h GLN 74 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 3i3x h GLN 74 CO 1.02 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 179.18 3i3x n GLN 75 N -2.33 0.24 -2.44 1.46 10.64 -1.26 -4.87 117.38 118.83 3i3x n GLN 75 Ca 0.02 0.03 -0.36 0.00 -1.83 0.00 0.00 57.00 54.87 3i3x n GLN 75 Cb 0.24 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.09 3i3x n GLN 75 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3i3x s LEU 76 N -2.73 3.97 -0.69 2.61 1.43 -0.76 -5.01 118.68 117.50 3i3x s LEU 76 Ca 0.21 2.08 -0.16 0.00 -1.03 0.00 0.00 54.13 55.24 3i3x s LEU 76 Cb 0.18 -4.37 0.17 0.00 0.03 0.00 0.00 46.19 42.20 3i3x s LEU 76 CO 0.44 -0.77 0.66 -0.76 0.23 0.00 0.00 176.35 176.15 3i3x s LEU 77 N -3.14 6.32 0.27 1.79 1.02 -1.26 -5.04 118.68 118.64 3i3x s LEU 77 Ca 0.64 -2.17 0.12 0.00 0.02 0.00 0.00 54.13 52.74 3i3x s LEU 77 Cb -0.22 -2.23 -0.05 0.00 0.02 0.00 0.00 46.19 43.71 3i3x s LEU 77 CO 0.27 -0.77 -0.19 0.42 0.02 0.00 0.00 176.35 176.10 3i3x s THR 78 N 1.12 2.55 0.24 5.49 -4.23 -1.26 -4.59 115.64 114.96 3i3x s THR 78 Ca 0.12 -2.34 0.10 0.00 -1.18 0.00 0.00 61.69 58.38 3i3x s THR 78 Cb -0.20 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 3i3x s THR 78 CO -0.02 -0.38 -0.07 -0.54 -0.54 0.00 0.00 174.62 173.07 3i3x s LYS 79 N -3.46 2.12 -0.21 3.99 -0.14 -1.26 -4.36 119.74 116.42 3i3x s LYS 79 Ca 0.29 -1.42 0.00 0.00 -1.36 0.00 0.00 55.97 53.48 3i3x s LYS 79 Cb -0.05 -2.10 0.05 0.00 -1.68 0.00 0.00 37.83 34.05 3i3x s LYS 79 CO 0.15 0.38 -0.05 0.99 -0.76 0.00 0.00 175.35 176.06 3i3x s THR 80 N -2.15 1.36 -0.29 2.17 2.01 -0.64 -1.93 115.64 116.17 3i3x s THR 80 Ca 0.29 -0.98 -0.09 0.00 0.31 0.00 0.00 61.69 61.22 3i3x s THR 80 Cb -0.07 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 3i3x s THR 80 CO 0.18 -0.00 0.14 -0.69 -0.69 0.00 0.00 174.62 173.55 3i3x s VAL 81 N 1.49 4.68 -0.07 3.82 1.01 0.11 -0.33 120.40 131.11 3i3x s VAL 81 Ca -0.03 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3i3x s VAL 81 Cb -0.17 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.91 3i3x s VAL 81 CO -0.07 0.18 -0.16 -0.63 0.00 0.00 0.00 175.10 174.42 3i3x s ILE 82 N 1.65 1.41 0.00 2.22 1.01 -0.55 -0.11 121.20 126.83 3i3x s ILE 82 Ca 0.06 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3i3x s ILE 82 Cb -0.16 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.05 3i3x s ILE 82 CO 0.07 0.42 0.00 0.61 0.00 0.00 0.00 174.94 176.03 3i3x n GLY 83 N 3.65 0.97 3.74 6.18 0.00 -0.23 -1.31 105.19 118.18 3i3x n GLY 83 Ca -0.21 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 3i3x n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i3x s ASP 84 N -1.00 5.26 -1.46 1.61 1.01 -1.24 -2.74 116.67 118.10 3i3x s ASP 84 Ca 0.00 -0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.11 3i3x s ASP 84 Cb 0.00 -1.31 0.00 0.00 1.01 0.00 0.00 42.92 42.62 3i3x s ASP 84 CO 0.00 0.13 0.00 1.41 0.21 0.00 0.00 175.17 176.92 3i3x n HIS 85 N 0.18 -0.32 -3.12 4.23 8.25 -0.16 -0.91 115.22 123.36 3i3x n HIS 85 Ca -0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.03 3i3x n HIS 85 Cb 0.53 -2.88 -0.06 0.00 1.12 0.00 0.00 29.99 28.70 3i3x n HIS 85 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3i3x s ASN 86 N -2.61 6.89 -0.13 0.41 0.01 -1.26 -3.57 114.94 114.69 3i3x s ASN 86 Ca 0.00 1.34 0.03 0.00 -0.71 0.00 0.00 52.86 53.51 3i3x s ASN 86 Cb 0.00 -2.39 0.01 0.00 0.41 0.00 0.00 41.25 39.28 3i3x s ASN 86 CO 0.00 -0.10 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.65 3i3x s ILE 87 N -1.78 1.96 -0.29 0.60 1.01 -0.20 -1.29 121.20 121.21 3i3x s ILE 87 Ca 0.49 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 3i3x s ILE 87 Cb -0.13 -1.73 0.04 0.00 0.01 0.00 0.00 42.46 40.65 3i3x s ILE 87 CO 0.19 0.53 -0.01 -0.36 0.00 0.00 0.00 174.94 175.30 3i3x s PHE 88 N 0.76 3.22 0.90 3.97 0.40 0.24 -0.33 117.98 127.14 3i3x s PHE 88 Ca -0.09 -1.76 -0.13 0.00 -0.60 0.00 0.00 56.93 54.35 3i3x s PHE 88 Cb -0.16 -2.11 0.18 0.00 0.51 0.00 0.00 43.02 41.44 3i3x s PHE 88 CO -0.00 -0.78 1.25 1.03 0.70 0.00 0.00 175.22 177.42 3i3x s ARG 89 N 1.28 0.93 0.07 0.44 1.81 0.55 -0.60 118.95 123.43 3i3x s ARG 89 Ca -0.04 -0.53 -0.36 0.00 -1.72 0.00 0.00 55.73 53.09 3i3x s ARG 89 Cb -0.19 -1.95 -0.15 0.00 -0.45 0.00 0.00 34.95 32.21 3i3x s ARG 89 CO -0.01 -2.17 1.53 0.39 -0.68 0.00 0.00 175.30 174.36 3i3x n GLU 90 N -3.55 1.67 -1.47 3.54 4.71 -1.26 -1.73 120.64 122.55 3i3x n GLU 90 Ca 0.15 0.60 -0.16 0.00 -0.01 0.00 0.00 57.16 57.74 3i3x n GLU 90 Cb 0.60 -2.32 -0.07 0.00 -1.01 0.00 0.00 31.44 28.63 3i3x n GLU 90 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3i3x n TYR 91 N 3.53 0.00 -2.15 -0.32 4.02 -0.85 -1.41 117.16 119.98 3i3x n TYR 91 Ca 0.19 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.70 3i3x n TYR 91 Cb 0.24 -3.14 -0.00 0.00 -0.02 0.00 0.00 39.34 36.42 3i3x n TYR 91 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3i3x s SER 92 N -2.62 6.08 -0.07 7.72 1.04 -0.71 -3.71 113.70 121.43 3i3x s SER 92 Ca 0.00 2.44 -0.01 0.00 0.48 0.00 0.00 55.95 58.86 3i3x s SER 92 Cb 0.00 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.53 3i3x s SER 92 CO 0.00 -0.99 0.00 0.54 0.98 0.00 0.00 173.24 173.77 3i3x s ASN 93 N -1.17 1.54 -0.13 7.02 2.20 -0.21 -1.22 114.94 122.96 3i3x s ASN 93 Ca 0.63 -0.08 0.01 0.00 -0.94 0.00 0.00 52.86 52.49 3i3x s ASN 93 Cb -0.32 -0.42 -0.01 0.00 -2.00 0.00 0.00 41.25 38.50 3i3x s ASN 93 CO 0.39 -0.19 -0.17 -0.63 -2.94 0.00 0.00 177.10 173.56 3i3x s ILE 94 N 1.94 2.62 0.00 0.54 -1.09 -0.12 -1.77 121.20 123.34 3i3x s ILE 94 Ca 0.04 -0.80 0.01 0.00 -2.23 0.00 0.00 60.65 57.68 3i3x s ILE 94 Cb -0.12 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.64 3i3x s ILE 94 CO -0.05 0.53 0.01 -1.00 -1.23 0.00 0.00 174.94 173.20 3i3x s HIS 95 N 0.55 3.09 0.90 3.97 3.76 -0.59 -0.60 115.29 126.37 3i3x s HIS 95 Ca -0.10 0.09 -0.14 0.00 -0.15 0.00 0.00 55.06 54.76 3i3x s HIS 95 Cb -0.16 -1.67 0.14 0.00 1.11 0.00 0.00 32.58 32.00 3i3x s HIS 95 CO 0.04 0.47 1.24 -1.59 -0.85 0.00 0.00 174.74 174.05 3i3x s LYS 96 N -1.61 1.22 1.02 1.40 -2.85 -0.60 -4.29 119.74 114.03 3i3x s LYS 96 Ca 0.20 -0.11 -0.13 0.00 -1.00 0.00 0.00 55.97 54.94 3i3x s LYS 96 Cb -0.12 -1.88 0.20 0.00 -2.06 0.00 0.00 37.83 33.97 3i3x s LYS 96 CO 0.11 -2.07 1.09 0.20 0.10 0.00 0.00 175.35 174.78 3i3x s GLY 97 N -4.65 1.56 0.00 0.59 0.00 -0.93 -4.06 107.32 99.83 3i3x s GLY 97 Ca 0.68 -0.41 0.14 0.00 0.00 0.00 0.00 44.72 45.12 3i3x s GLY 97 CO 0.51 0.22 0.80 -1.30 0.00 0.00 0.00 173.10 173.34 3i3x n THR 98 N -4.25 0.00 -3.99 0.90 -2.24 -1.24 -4.69 114.28 98.77 3i3x n THR 98 Ca 0.05 -0.39 -0.10 0.00 -2.27 0.00 0.00 64.05 61.34 3i3x n THR 98 Cb 0.57 1.19 -0.11 0.00 -2.10 0.00 0.00 70.33 69.88 3i3x n THR 98 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i3x s LYS 99 N -1.58 0.32 0.29 -0.78 1.02 -1.25 -4.89 119.74 112.88 3i3x s LYS 99 Ca 0.12 -0.57 0.03 0.00 0.02 0.00 0.00 55.97 55.58 3i3x s LYS 99 Cb 0.11 0.02 0.66 0.00 -0.52 0.00 0.00 37.83 38.10 3i3x s LYS 99 CO 0.31 -0.02 1.76 0.93 -0.92 0.00 0.00 175.35 177.41 3i3x h GLU 100 N 4.79 0.67 -0.31 1.68 3.07 -1.94 -1.50 114.58 121.04 3i3x h GLU 100 Ca -0.32 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.50 3i3x h GLU 100 Cb 1.21 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 3i3x h GLU 100 CO 0.42 0.44 0.00 -0.40 -1.40 0.00 0.00 179.01 178.07 3i3x n ASP 101 N -4.83 3.05 -3.86 1.42 5.75 -1.26 -4.63 116.55 112.20 3i3x n ASP 101 Ca 0.21 -1.94 -0.30 0.00 -0.01 0.00 0.00 54.79 52.76 3i3x n ASP 101 Cb 0.53 -0.20 -0.14 0.00 -1.03 0.00 0.00 41.12 40.29 3i3x n ASP 101 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3i3x s SER 102 N -1.56 4.07 0.88 -1.12 1.04 -0.56 -5.12 113.70 111.32 3i3x s SER 102 Ca 0.36 -2.88 -0.12 0.00 0.48 0.00 0.00 55.95 53.79 3i3x s SER 102 Cb 0.21 -1.41 0.12 0.00 0.10 0.00 0.00 66.02 65.04 3i3x s SER 102 CO 0.31 -0.24 1.12 -2.16 0.98 0.00 0.00 173.24 173.25 3i3x s PRO 103 N -0.07 1.44 -0.14 4.02 0.04 -1.26 -3.65 135.00 135.39 3i3x s PRO 103 Ca 0.17 0.40 -0.24 0.00 0.04 0.00 0.00 61.00 61.38 3i3x s PRO 103 Cb -0.25 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 3i3x s PRO 103 CO -0.00 -2.02 0.75 0.99 0.04 0.00 0.00 177.00 176.77 3i3x s THR 104 N -3.24 4.96 -0.19 1.26 2.01 -0.81 -4.51 115.64 115.12 3i3x s THR 104 Ca 0.63 1.50 0.01 0.00 0.31 0.00 0.00 61.69 64.13 3i3x s THR 104 Cb -0.15 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.31 3i3x s THR 104 CO 0.54 0.12 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.71 3i3x s VAL 105 N 1.64 2.16 -0.12 3.82 1.01 -0.46 0.05 120.40 128.50 3i3x s VAL 105 Ca 0.36 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3i3x s VAL 105 Cb -0.17 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 3i3x s VAL 105 CO 0.14 0.49 -0.21 -0.63 0.00 0.00 0.00 175.10 174.89 3i3x s ILE 106 N 1.29 2.29 0.00 2.22 1.01 0.85 -0.10 121.20 128.75 3i3x s ILE 106 Ca 0.04 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3i3x s ILE 106 Cb -0.14 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.43 3i3x s ILE 106 CO -0.12 0.55 0.00 0.61 0.00 0.00 0.00 174.94 175.98 3i3x n GLY 107 N 3.69 0.62 3.55 6.18 0.00 -0.69 -1.07 105.19 117.47 3i3x n GLY 107 Ca -0.19 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 3i3x n GLY 107 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3x s ASN 108 N -1.07 4.15 -1.57 1.61 0.01 -1.24 -1.91 114.94 114.92 3i3x s ASN 108 Ca 0.00 -0.57 -0.04 0.00 -0.71 0.00 0.00 52.86 51.54 3i3x s ASN 108 Cb 0.00 -0.67 0.01 0.00 0.41 0.00 0.00 41.25 41.00 3i3x s ASN 108 CO 0.00 0.13 0.52 0.29 -1.51 0.00 0.00 177.10 176.53 3i3x n LYS 109 N 0.30 -4.40 -3.49 -0.60 5.02 -0.09 -0.93 118.16 113.98 3i3x n LYS 109 Ca -0.12 0.89 -0.26 0.00 -2.02 0.00 0.00 58.31 56.80 3i3x n LYS 109 Cb 0.54 -5.72 -0.02 0.00 -0.02 0.00 0.00 35.03 29.81 3i3x n LYS 109 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3i3x s ASN 110 N -2.62 6.37 -0.12 4.39 0.01 -1.26 -2.66 114.94 119.05 3i3x s ASN 110 Ca 0.27 0.50 -0.01 0.00 -0.71 0.00 0.00 52.86 52.91 3i3x s ASN 110 Cb -0.12 -2.05 0.03 0.00 0.41 0.00 0.00 41.25 39.52 3i3x s ASN 110 CO 0.34 -0.17 -0.03 -0.47 -1.51 0.00 0.00 177.10 175.25 3i3x s TYR 111 N -2.08 1.21 -0.34 2.20 6.14 -0.27 -1.03 117.35 123.19 3i3x s TYR 111 Ca 0.40 -0.64 -0.05 0.00 0.64 0.00 0.00 57.07 57.42 3i3x s TYR 111 Cb -0.10 -1.09 0.05 0.00 0.42 0.00 0.00 41.96 41.24 3i3x s TYR 111 CO 0.31 -0.49 0.10 -0.06 0.64 0.00 0.00 175.55 176.06 3i3x s PHE 112 N 1.80 3.28 0.92 4.97 0.40 0.54 -0.64 117.98 129.26 3i3x s PHE 112 Ca 0.03 -1.59 -0.12 0.00 -0.60 0.00 0.00 56.93 54.65 3i3x s PHE 112 Cb -0.14 -2.35 0.14 0.00 0.51 0.00 0.00 43.02 41.19 3i3x s PHE 112 CO -0.07 -0.77 1.11 -1.64 0.70 0.00 0.00 175.22 174.54 3i3x s MET 113 N 1.35 1.06 0.35 0.44 -1.94 0.39 -0.33 119.30 120.62 3i3x s MET 113 Ca -0.01 0.53 -0.25 0.00 -1.71 0.00 0.00 55.69 54.24 3i3x s MET 113 Cb -0.20 -1.81 -0.13 0.00 2.01 0.00 0.00 34.83 34.70 3i3x s MET 113 CO 0.01 -2.31 0.83 0.41 -0.01 0.00 0.00 175.02 173.96 3i3x n GLY 114 N -1.57 -0.73 2.28 -0.03 0.00 -1.26 -2.20 105.19 101.68 3i3x n GLY 114 Ca 0.06 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 3i3x n GLY 114 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i3x n ASN 115 N 1.12 -4.33 -4.88 1.61 4.13 -0.50 -2.03 115.26 110.39 3i3x n ASN 115 Ca 0.11 0.38 -0.30 0.00 1.68 0.00 0.00 54.58 56.45 3i3x n ASN 115 Cb 0.35 -3.85 -0.03 0.00 -1.54 0.00 0.00 39.78 34.71 3i3x n ASN 115 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3i3x s SER 116 N -2.34 6.52 -0.04 6.41 1.04 -0.93 -3.84 113.70 120.52 3i3x s SER 116 Ca 0.00 1.10 0.01 0.00 0.48 0.00 0.00 55.95 57.54 3i3x s SER 116 Cb 0.00 -2.31 0.02 0.00 0.10 0.00 0.00 66.02 63.83 3i3x s SER 116 CO 0.00 -0.37 -0.04 -2.28 0.98 0.00 0.00 173.24 171.52 3i3x s HIS 117 N -2.33 0.69 -0.27 5.02 2.46 0.10 -1.05 115.29 119.91 3i3x s HIS 117 Ca 0.51 -0.17 0.01 0.00 0.47 0.00 0.00 55.06 55.87 3i3x s HIS 117 Cb -0.10 -0.61 0.05 0.00 -0.13 0.00 0.00 32.58 31.79 3i3x s HIS 117 CO 0.31 -0.16 -0.07 0.08 -2.47 0.00 0.00 174.74 172.42 3i3x s VAL 118 N 0.81 2.55 0.88 0.89 1.01 -0.73 -0.54 120.40 125.27 3i3x s VAL 118 Ca -0.11 -1.43 -0.12 0.00 0.00 0.00 0.00 61.98 60.33 3i3x s VAL 118 Cb -0.13 -2.44 0.12 0.00 0.00 0.00 0.00 36.38 33.93 3i3x s VAL 118 CO 0.00 0.00 1.10 -0.83 0.00 0.00 0.00 175.10 175.37 3i3x s GLY 119 N 1.19 1.61 0.19 4.51 0.00 -0.47 -1.54 107.32 112.82 3i3x s GLY 119 Ca -0.06 -0.14 -0.32 0.00 0.00 0.00 0.00 44.72 44.20 3i3x s GLY 119 CO -0.04 0.35 1.24 -2.39 0.00 0.00 0.00 173.10 172.26 3i3x n HIS 120 N -3.78 1.57 -1.06 1.90 1.44 -1.26 -2.60 115.22 111.43 3i3x n HIS 120 Ca 0.07 0.60 -0.02 0.00 -2.01 0.00 0.00 57.72 56.36 3i3x n HIS 120 Cb 0.56 -2.34 -0.01 0.00 0.12 0.00 0.00 29.99 28.32 3i3x n HIS 120 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3i3x n ASP 121 N 2.07 -4.19 -4.76 4.39 8.00 -1.26 -1.25 116.55 119.55 3i3x n ASP 121 Ca 0.14 0.05 -0.38 0.00 0.71 0.00 0.00 54.79 55.31 3i3x n ASP 121 Cb 0.27 -1.86 0.02 0.00 -0.02 0.00 0.00 41.12 39.52 3i3x n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i3x s ILE 123 N -1.41 1.70 -0.06 0.00 1.01 -0.16 -1.35 121.20 120.93 3i3x s ILE 123 Ca 0.68 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.65 3i3x s ILE 123 Cb -0.35 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 3i3x s ILE 123 CO 0.42 0.47 -0.23 -0.76 0.00 0.00 0.00 174.94 174.85 3i3x s LEU 124 N 1.43 2.02 0.00 2.97 1.02 0.86 -0.42 118.68 126.56 3i3x s LEU 124 Ca 0.05 -0.47 0.00 0.00 0.02 0.00 0.00 54.13 53.72 3i3x s LEU 124 Cb -0.13 -1.26 0.00 0.00 0.02 0.00 0.00 46.19 44.82 3i3x s LEU 124 CO -0.11 0.20 0.00 0.61 0.02 0.00 0.00 176.35 177.07 3i3x n GLY 125 N 3.11 0.82 3.47 -3.19 0.00 -0.71 -1.71 105.19 106.97 3i3x n GLY 125 Ca -0.18 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 3i3x n GLY 125 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3x s ASN 126 N -1.02 3.67 -1.89 1.61 0.01 -1.21 -2.22 114.94 113.89 3i3x s ASN 126 Ca 0.00 -0.77 0.00 0.00 -0.71 0.00 0.00 52.86 51.38 3i3x s ASN 126 Cb 0.00 -0.39 0.00 0.00 0.41 0.00 0.00 41.25 41.27 3i3x s ASN 126 CO 0.00 0.12 0.00 0.59 -1.51 0.00 0.00 177.10 176.30 3i3x n ASN 127 N 0.25 -5.23 -4.82 -1.22 3.02 -0.10 -0.79 115.26 106.38 3i3x n ASN 127 Ca -0.12 0.39 -0.33 0.00 -0.03 0.00 0.00 54.58 54.48 3i3x n ASN 127 Cb 0.56 -4.34 -0.04 0.00 -0.61 0.00 0.00 39.78 35.35 3i3x n ASN 127 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3i3x s ASN 128 N -2.72 6.53 -0.16 6.41 0.01 -1.26 -3.74 114.94 120.02 3i3x s ASN 128 Ca 0.00 1.75 0.02 0.00 -0.71 0.00 0.00 52.86 53.91 3i3x s ASN 128 Cb 0.00 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.14 3i3x s ASN 128 CO 0.00 -0.65 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.11 3i3x s ILE 129 N -2.26 2.07 -0.43 0.60 1.01 0.09 -1.11 121.20 121.15 3i3x s ILE 129 Ca 0.63 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 60.22 3i3x s ILE 129 Cb -0.12 -1.85 0.08 0.00 0.01 0.00 0.00 42.46 40.58 3i3x s ILE 129 CO 0.23 0.54 0.30 -0.22 0.00 0.00 0.00 174.94 175.78 3i3x s LEU 130 N 1.10 5.31 0.90 2.97 2.96 0.19 -0.36 118.68 131.74 3i3x s LEU 130 Ca 0.00 -1.52 -0.12 0.00 -0.22 0.00 0.00 54.13 52.27 3i3x s LEU 130 Cb -0.14 -2.03 0.13 0.00 0.50 0.00 0.00 46.19 44.65 3i3x s LEU 130 CO -0.08 -0.58 1.12 -0.89 -1.32 0.00 0.00 176.35 174.60 3i3x s THR 131 N 1.46 2.25 0.19 3.68 2.01 0.23 -0.46 115.64 124.99 3i3x s THR 131 Ca 0.03 0.08 -0.33 0.00 0.31 0.00 0.00 61.69 61.79 3i3x s THR 131 Cb -0.24 -2.79 -0.14 0.00 0.01 0.00 0.00 72.50 69.34 3i3x s THR 131 CO 0.03 -0.11 1.42 1.57 -0.69 0.00 0.00 174.62 176.84 3i3x n HIS 132 N -3.75 2.02 -0.66 4.92 -0.00 -1.26 -1.78 115.22 114.71 3i3x n HIS 132 Ca 0.06 0.43 0.00 0.00 0.46 0.00 0.00 57.72 58.68 3i3x n HIS 132 Cb 0.58 -2.45 0.00 0.00 -0.12 0.00 0.00 29.99 28.00 3i3x n HIS 132 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3i3x n GLY 133 N 2.56 0.58 3.77 1.57 0.00 -0.86 -1.45 105.19 111.36 3i3x n GLY 133 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3i3x n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3x s ALA 134 N -2.39 3.17 -0.09 4.61 0.00 -0.73 -4.18 121.76 122.16 3i3x s ALA 134 Ca 0.00 0.96 0.02 0.00 0.00 0.00 0.00 51.96 52.93 3i3x s ALA 134 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.76 3i3x s ALA 134 CO 0.00 -0.50 -0.13 0.14 0.00 0.00 0.00 175.76 175.28 3i3x s VAL 135 N -1.41 1.25 -0.19 0.00 -7.23 -0.04 -0.72 120.40 112.06 3i3x s VAL 135 Ca 0.56 -0.51 -0.09 0.00 -1.81 0.00 0.00 61.98 60.14 3i3x s VAL 135 Cb -0.30 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 3i3x s VAL 135 CO 0.38 0.39 0.09 -0.76 -0.31 0.00 0.00 175.10 174.89 3i3x s LEU 136 N 0.94 3.99 1.18 1.32 1.43 0.30 -1.21 118.68 126.63 3i3x s LEU 136 Ca -0.09 0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 52.99 3i3x s LEU 136 Cb -0.15 -2.02 0.28 0.00 0.03 0.00 0.00 46.19 44.33 3i3x s LEU 136 CO 0.00 0.18 1.07 0.00 0.23 0.00 0.00 176.35 177.83 3i3x s ALA 137 N 0.35 0.39 0.70 4.21 0.00 -0.44 -1.37 121.76 125.59 3i3x s ALA 137 Ca 0.05 -0.73 -0.16 0.00 0.00 0.00 0.00 51.96 51.13 3i3x s ALA 137 Cb -0.12 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 20.05 3i3x s ALA 137 CO -0.01 -3.59 1.22 0.20 0.00 0.00 0.00 175.76 173.59 3i3x s GLY 138 N -3.57 2.47 -1.81 0.00 0.00 -1.26 -3.47 107.32 99.68 3i3x s GLY 138 Ca 0.69 0.95 0.00 0.00 0.00 0.00 0.00 44.72 46.36 3i3x s GLY 138 CO 0.57 1.35 0.00 1.42 0.00 0.00 0.00 173.10 176.45 3i3x n HIS 139 N -2.48 -0.86 -3.18 1.90 8.25 -0.38 -3.46 115.22 115.02 3i3x n HIS 139 Ca 0.14 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.21 3i3x n HIS 139 Cb 0.50 -3.87 -0.06 0.00 1.12 0.00 0.00 29.99 27.68 3i3x n HIS 139 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3i3x s VAL 140 N -2.99 4.88 -0.16 1.59 1.01 -1.23 -1.74 120.40 121.76 3i3x s VAL 140 Ca 0.00 1.30 -0.00 0.00 0.00 0.00 0.00 61.98 63.28 3i3x s VAL 140 Cb 0.00 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 3i3x s VAL 140 CO 0.00 0.42 -0.14 -0.89 0.00 0.00 0.00 175.10 174.49 3i3x s THR 141 N -0.21 2.81 -0.03 3.92 2.01 -0.57 -0.99 115.64 122.57 3i3x s THR 141 Ca 0.32 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.63 3i3x s THR 141 Cb -0.19 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 3i3x s THR 141 CO 0.18 0.51 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.73 3i3x s LEU 142 N 0.78 2.85 0.00 4.42 1.02 0.44 0.11 118.68 128.30 3i3x s LEU 142 Ca -0.05 -0.19 0.00 0.00 0.02 0.00 0.00 54.13 53.90 3i3x s LEU 142 Cb -0.15 -1.61 0.00 0.00 0.02 0.00 0.00 46.19 44.45 3i3x s LEU 142 CO 0.01 0.33 0.00 0.61 0.02 0.00 0.00 176.35 177.31 3i3x n GLY 143 N 2.08 0.86 3.35 -3.19 0.00 -0.61 -1.74 105.19 105.94 3i3x n GLY 143 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 3i3x n GLY 143 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3x s ASN 144 N -1.00 3.33 -1.51 1.61 0.01 -1.26 -2.07 114.94 114.05 3i3x s ASN 144 Ca 0.00 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.75 3i3x s ASN 144 Cb 0.00 -0.52 0.00 0.00 0.41 0.00 0.00 41.25 41.14 3i3x s ASN 144 CO 0.00 0.32 0.00 0.49 -1.51 0.00 0.00 177.10 176.40 3i3x n PHE 145 N 2.44 -0.64 -2.62 2.20 3.72 0.03 -1.75 117.46 120.84 3i3x n PHE 145 Ca -0.16 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.83 3i3x n PHE 145 Cb 0.51 -3.30 -0.05 0.00 -0.94 0.00 0.00 39.48 35.71 3i3x n PHE 145 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3x s ALA 146 N -2.80 3.34 -0.28 4.37 0.00 -1.26 -3.29 121.76 121.84 3i3x s ALA 146 Ca 0.00 0.72 -0.05 0.00 0.00 0.00 0.00 51.96 52.64 3i3x s ALA 146 Cb 0.00 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.84 3i3x s ALA 146 CO 0.00 -0.05 0.02 0.12 0.00 0.00 0.00 175.76 175.85 3i3x s PHE 147 N -0.56 3.13 -0.31 0.00 5.36 -0.16 -0.74 117.98 124.69 3i3x s PHE 147 Ca 0.46 -1.24 -0.05 0.00 -0.96 0.00 0.00 56.93 55.13 3i3x s PHE 147 Cb -0.28 -2.18 0.03 0.00 -0.34 0.00 0.00 43.02 40.26 3i3x s PHE 147 CO 0.34 -0.65 0.07 0.42 -1.46 0.00 0.00 175.22 173.94 3i3x s ILE 148 N 1.42 3.65 0.40 3.12 1.01 0.51 -1.04 121.20 130.26 3i3x s ILE 148 Ca 0.01 -1.03 -0.07 0.00 0.00 0.00 0.00 60.65 59.57 3i3x s ILE 148 Cb -0.17 -2.99 0.10 0.00 0.01 0.00 0.00 42.46 39.40 3i3x s ILE 148 CO -0.00 -0.06 0.42 -0.24 0.00 0.00 0.00 174.94 175.06 3i3x n SER 149 N 4.79 -0.80 -4.76 3.58 2.88 0.62 -0.60 113.62 119.33 3i3x n SER 149 Ca -0.14 -0.91 -0.40 0.00 -1.33 0.00 0.00 58.87 56.09 3i3x n SER 149 Cb 0.46 -0.36 -0.04 0.00 -0.75 0.00 0.00 64.21 63.52 3i3x n SER 149 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3i3x s GLY 150 N -3.54 3.03 -1.75 0.46 0.00 -1.26 -3.55 107.32 100.71 3i3x s GLY 150 Ca 0.26 0.99 -0.00 0.00 0.00 0.00 0.00 44.72 45.96 3i3x s GLY 150 CO 0.19 1.62 0.02 1.04 0.00 0.00 0.00 173.10 175.97 3i3x n LEU 151 N 1.17 -1.94 -4.81 0.66 4.77 -0.53 -2.50 117.00 113.83 3i3x n LEU 151 Ca -0.01 -0.02 -0.35 0.00 -0.03 0.00 0.00 56.01 55.60 3i3x n LEU 151 Cb 0.44 -2.92 -0.06 0.00 -2.33 0.00 0.00 43.42 38.55 3i3x n LEU 151 CO 0.55 -0.20 0.54 -0.69 -1.33 0.00 0.00 177.39 176.26 3i3x s VAL 152 N -3.03 4.43 -0.10 4.08 1.01 -1.23 -3.78 120.40 121.77 3i3x s VAL 152 Ca 0.01 1.47 0.03 0.00 0.00 0.00 0.00 61.98 63.49 3i3x s VAL 152 Cb -0.00 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 3i3x s VAL 152 CO 0.01 0.05 -0.21 0.00 0.00 0.00 0.00 175.10 174.96 3i3x s ALA 153 N -1.72 2.32 -0.19 5.51 0.00 -1.03 -0.86 121.76 125.79 3i3x s ALA 153 Ca 0.50 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 3i3x s ALA 153 Cb -0.15 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.04 3i3x s ALA 153 CO 0.20 0.30 -0.12 0.08 0.00 0.00 0.00 175.76 176.22 3i3x s VAL 154 N 0.27 2.85 0.56 0.00 1.01 -0.35 -1.19 120.40 123.55 3i3x s VAL 154 Ca -0.15 -0.69 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 3i3x s VAL 154 Cb -0.17 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3i3x s VAL 154 CO 0.07 0.48 1.31 -2.28 0.00 0.00 0.00 175.10 174.69 3i3x s HIS 155 N 1.15 2.32 0.34 5.22 2.46 -0.38 -1.33 115.29 125.07 3i3x s HIS 155 Ca 0.01 1.43 -0.26 0.00 0.47 0.00 0.00 55.06 56.71 3i3x s HIS 155 Cb -0.14 -3.70 -0.13 0.00 -0.13 0.00 0.00 32.58 28.48 3i3x s HIS 155 CO -0.04 -2.68 1.01 1.04 -2.47 0.00 0.00 174.74 171.60 3i3x n GLN 156 N -1.21 1.39 -0.94 2.88 3.00 -1.26 -2.84 117.38 118.40 3i3x n GLN 156 Ca 0.12 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.60 3i3x n GLN 156 Cb 0.46 -1.94 0.00 0.00 0.00 0.00 0.00 30.24 28.76 3i3x n GLN 156 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3i3x n PHE 157 N -0.06 0.00 -2.72 1.08 3.72 -0.71 -4.94 117.46 113.82 3i3x n PHE 157 Ca 0.09 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.15 3i3x n PHE 157 Cb 0.35 -0.72 -0.06 0.00 -0.94 0.00 0.00 39.48 38.11 3i3x n PHE 157 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3x s PHE 159 N -2.07 2.95 -0.25 0.00 0.40 -1.26 -1.52 117.98 116.23 3i3x s PHE 159 Ca 0.63 0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.99 3i3x s PHE 159 Cb -0.12 -1.69 0.05 0.00 0.51 0.00 0.00 43.02 41.76 3i3x s PHE 159 CO 0.16 0.36 -0.09 0.08 0.70 0.00 0.00 175.22 176.43 3i3x s VAL 160 N -0.87 2.46 0.87 -0.44 1.01 0.12 -1.21 120.40 122.33 3i3x s VAL 160 Ca 0.14 -1.36 -0.11 0.00 0.00 0.00 0.00 61.98 60.65 3i3x s VAL 160 Cb -0.11 -2.35 0.11 0.00 0.00 0.00 0.00 36.38 34.04 3i3x s VAL 160 CO 0.03 0.08 1.10 -0.83 0.00 0.00 0.00 175.10 175.49 3i3x s GLY 161 N 1.20 1.66 0.41 4.51 0.00 0.13 -1.57 107.32 113.66 3i3x s GLY 161 Ca -0.04 0.26 -0.26 0.00 0.00 0.00 0.00 44.72 44.67 3i3x s GLY 161 CO -0.05 0.68 1.29 1.22 0.00 0.00 0.00 173.10 176.24 3i3x n ASP 162 N -3.90 2.69 -2.20 1.64 8.00 -1.26 -3.01 116.55 118.50 3i3x n ASP 162 Ca 0.09 1.13 -0.17 0.00 0.71 0.00 0.00 54.79 56.55 3i3x n ASP 162 Cb 0.53 -1.51 -0.02 0.00 -0.02 0.00 0.00 41.12 40.10 3i3x n ASP 162 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i3x n TYR 163 N -0.08 -0.96 -3.03 1.24 4.02 -0.72 -0.89 117.16 116.74 3i3x n TYR 163 Ca 0.06 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.69 3i3x n TYR 163 Cb 0.39 -3.32 -0.01 0.00 -0.02 0.00 0.00 39.34 36.38 3i3x n TYR 163 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3i3x s SER 164 N -2.13 6.31 0.00 7.72 1.04 -1.16 -3.77 113.70 121.70 3i3x s SER 164 Ca 0.00 0.71 0.05 0.00 0.48 0.00 0.00 55.95 57.19 3i3x s SER 164 Cb 0.00 -2.15 -0.02 0.00 0.10 0.00 0.00 66.02 63.96 3i3x s SER 164 CO 0.00 -0.41 -0.16 -0.32 0.98 0.00 0.00 173.24 173.32 3i3x s MET 165 N -4.40 1.26 -0.22 4.02 1.75 0.46 -0.99 119.30 121.18 3i3x s MET 165 Ca 0.44 -0.65 0.01 0.00 -1.25 0.00 0.00 55.69 54.24 3i3x s MET 165 Cb -0.10 -1.24 0.03 0.00 2.84 0.00 0.00 34.83 36.36 3i3x s MET 165 CO 0.39 0.33 -0.15 0.08 -0.65 0.00 0.00 175.02 175.02 3i3x s VAL 166 N -0.50 2.22 0.88 10.11 1.01 -0.21 -0.54 120.40 133.37 3i3x s VAL 166 Ca 0.06 -1.18 -0.11 0.00 0.00 0.00 0.00 61.98 60.75 3i3x s VAL 166 Cb -0.07 -2.09 0.12 0.00 0.00 0.00 0.00 36.38 34.35 3i3x s VAL 166 CO -0.00 0.31 1.10 0.00 0.00 0.00 0.00 175.10 176.50 3i3x s ALA 167 N 1.23 1.60 0.12 5.51 0.00 -0.45 -0.28 121.76 129.49 3i3x s ALA 167 Ca -0.00 0.18 -0.33 0.00 0.00 0.00 0.00 51.96 51.81 3i3x s ALA 167 Cb -0.16 -3.28 -0.18 0.00 0.00 0.00 0.00 23.12 19.50 3i3x s ALA 167 CO -0.09 -2.37 0.74 0.41 0.00 0.00 0.00 175.76 174.45 3i3x n GLY 168 N -0.72 -1.16 1.50 0.00 0.00 -1.26 -2.78 105.19 100.78 3i3x n GLY 168 Ca 0.08 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.61 3i3x n GLY 168 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i3x n LEU 169 N 1.80 0.00 -4.74 0.99 7.94 -1.04 -4.73 117.00 117.22 3i3x n LEU 169 Ca 0.19 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.68 3i3x n LEU 169 Cb 0.18 -0.38 -0.05 0.00 0.53 0.00 0.00 43.42 43.71 3i3x n LEU 169 CO 0.58 0.00 0.69 0.00 -1.11 0.00 0.00 177.39 177.55 3i3x s ALA 170 N -2.00 3.33 -0.50 1.96 0.00 -1.12 -4.68 121.76 118.76 3i3x s ALA 170 Ca 0.00 0.67 -0.18 0.00 0.00 0.00 0.00 51.96 52.45 3i3x s ALA 170 Cb 0.00 -3.26 0.06 0.00 0.00 0.00 0.00 23.12 19.92 3i3x s ALA 170 CO 0.00 0.05 0.57 0.21 0.00 0.00 0.00 175.76 176.59 3i3x s LYS 171 N -0.83 3.09 -0.27 0.00 2.20 -0.27 -2.47 119.74 121.18 3i3x s LYS 171 Ca 0.44 -0.99 -0.14 0.00 -0.36 0.00 0.00 55.97 54.92 3i3x s LYS 171 Cb -0.27 -4.10 -0.04 0.00 -1.51 0.00 0.00 37.83 31.91 3i3x s LYS 171 CO 0.33 -1.17 0.34 0.08 -0.36 0.00 0.00 175.35 174.57 3i3x s VAL 172 N 2.39 5.20 0.00 4.02 1.01 -0.33 -3.73 120.40 128.96 3i3x s VAL 172 Ca 0.13 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.59 3i3x s VAL 172 Cb -0.20 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3i3x s VAL 172 CO 0.11 0.17 0.00 1.33 0.00 0.00 0.00 175.10 176.70 3i3x n VAL 173 N 5.11 0.00 -4.47 2.92 0.24 -1.26 -1.25 118.33 119.62 3i3x n VAL 173 Ca -0.09 -0.11 -0.23 0.00 -2.04 0.00 0.00 64.34 61.86 3i3x n VAL 173 Cb 0.51 0.60 -0.06 0.00 -1.47 0.00 0.00 33.84 33.42 3i3x n VAL 173 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i3x n GLN 174 N -1.36 0.64 -1.96 7.34 6.02 -1.26 -4.87 117.38 121.92 3i3x n GLN 174 Ca 0.00 -3.15 -0.38 0.00 -0.01 0.00 0.00 57.00 53.46 3i3x n GLN 174 Cb 0.00 1.64 0.02 0.00 1.02 0.00 0.00 30.24 32.92 3i3x n GLN 174 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i3x s ASP 175 N -3.29 5.70 -0.39 1.08 1.01 -0.59 -4.49 116.67 115.70 3i3x s ASP 175 Ca 0.17 2.62 -0.18 0.00 0.71 0.00 0.00 52.55 55.87 3i3x s ASP 175 Cb 0.01 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.32 3i3x s ASP 175 CO 0.12 -1.26 0.47 -0.69 0.21 0.00 0.00 175.17 174.02 3i3x s VAL 176 N -1.37 5.05 0.61 -1.27 1.01 -0.35 -1.16 120.40 122.92 3i3x s VAL 176 Ca 0.67 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.44 3i3x s VAL 176 Cb -0.37 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 3i3x s VAL 176 CO 0.44 -0.34 1.11 -2.16 0.00 0.00 0.00 175.10 174.15 3i3x s PRO 177 N 2.28 3.07 0.48 2.72 0.04 -1.26 0.22 135.00 142.55 3i3x s PRO 177 Ca 0.15 1.44 -0.23 0.00 0.04 0.00 0.00 61.00 62.40 3i3x s PRO 177 Cb -0.16 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 3i3x s PRO 177 CO 0.14 -1.04 1.18 -2.30 0.04 0.00 0.00 177.00 175.02 3i3x n PRO 178 N -1.96 1.58 -1.42 0.56 -0.02 -1.26 -2.79 135.00 129.69 3i3x n PRO 178 Ca 0.11 0.57 -0.15 0.00 -2.02 0.00 0.00 63.50 62.01 3i3x n PRO 178 Cb 0.52 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 3i3x n PRO 178 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i3x n TYR 179 N -0.71 0.00 -4.44 6.00 4.01 -0.07 -4.92 117.16 117.05 3i3x n TYR 179 Ca 0.09 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.59 3i3x n TYR 179 Cb 0.42 -2.84 -0.10 0.00 -0.31 0.00 0.00 39.34 36.51 3i3x n TYR 179 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3i3x s SER 180 N -2.64 3.77 -0.12 7.72 0.01 -1.12 0.18 113.70 121.50 3i3x s SER 180 Ca 0.00 -0.95 0.01 0.00 1.31 0.00 0.00 55.95 56.31 3i3x s SER 180 Cb 0.00 -0.40 -0.02 0.00 0.21 0.00 0.00 66.02 65.81 3i3x s SER 180 CO 0.00 0.04 -0.13 -0.89 0.41 0.00 0.00 173.24 172.66 3i3x s THR 181 N -2.45 3.04 -0.00 1.44 2.01 0.38 -0.41 115.64 119.65 3i3x s THR 181 Ca 0.30 -0.68 0.08 0.00 0.31 0.00 0.00 61.69 61.70 3i3x s THR 181 Cb -0.05 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 3i3x s THR 181 CO 0.16 0.54 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.69 3i3x s VAL 182 N 0.16 1.94 -0.23 3.82 1.01 0.30 -0.13 120.40 127.27 3i3x s VAL 182 Ca -0.07 -1.12 -0.22 0.00 0.00 0.00 0.00 61.98 60.57 3i3x s VAL 182 Cb -0.15 -1.62 0.06 0.00 0.00 0.00 0.00 36.38 34.67 3i3x s VAL 182 CO 0.05 0.48 0.63 -0.62 0.00 0.00 0.00 175.10 175.64 3i3x s ASP 183 N -0.75 -0.65 0.00 3.32 2.15 -0.56 -1.34 116.67 118.84 3i3x s ASP 183 Ca 0.10 1.24 0.00 0.00 0.43 0.00 0.00 52.55 54.32 3i3x s ASP 183 Cb -0.09 1.26 0.00 0.00 -0.30 0.00 0.00 42.92 43.78 3i3x s ASP 183 CO -0.00 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 3i3x n GLY 184 N 2.69 -0.40 2.70 2.66 0.00 -1.26 -1.25 105.19 110.33 3i3x n GLY 184 Ca -0.14 -2.28 -0.20 0.00 0.00 0.00 0.00 46.02 43.40 3i3x n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3x s ASN 185 N -0.28 2.08 0.38 1.61 3.84 -1.26 -1.12 114.94 120.19 3i3x s ASN 185 Ca 0.00 -0.99 -0.25 0.00 0.21 0.00 0.00 52.86 51.83 3i3x s ASN 185 Cb 0.00 0.30 -0.09 0.00 -0.55 0.00 0.00 41.25 40.91 3i3x s ASN 185 CO 0.00 -0.39 1.12 -2.16 -2.79 0.00 0.00 177.10 172.88 3i3x s PRO 186 N 2.19 4.18 0.50 0.43 0.04 -1.26 -5.05 135.00 136.03 3i3x s PRO 186 Ca 0.10 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 62.69 3i3x s PRO 186 Cb -0.15 -2.71 -0.08 0.00 0.04 0.00 0.00 34.50 31.60 3i3x s PRO 186 CO -0.30 -0.18 0.99 -1.54 0.04 0.00 0.00 177.00 176.01 3i3x s SER 187 N -1.23 6.60 0.06 6.66 1.04 -1.06 -5.00 113.70 120.78 3i3x s SER 187 Ca 0.55 1.66 -0.01 0.00 0.48 0.00 0.00 55.95 58.63 3i3x s SER 187 Cb -0.28 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.27 3i3x s SER 187 CO 0.35 -0.60 -0.03 0.42 0.98 0.00 0.00 173.24 174.36 3i3x s THR 188 N -2.44 0.27 -0.11 2.02 -4.23 -0.38 -4.57 115.64 106.20 3i3x s THR 188 Ca 0.61 -1.83 -0.30 0.00 -1.18 0.00 0.00 61.69 58.99 3i3x s THR 188 Cb -0.11 -1.57 -0.02 0.00 1.34 0.00 0.00 72.50 72.14 3i3x s THR 188 CO 0.26 -0.95 1.25 -0.69 -0.54 0.00 0.00 174.62 173.95 3i3x s VAL 189 N -3.89 4.24 -0.03 2.29 1.01 0.59 -1.50 120.40 123.11 3i3x s VAL 189 Ca 0.09 1.53 -0.13 0.00 0.00 0.00 0.00 61.98 63.47 3i3x s VAL 189 Cb 0.08 -3.99 -0.32 0.00 0.00 0.00 0.00 36.38 32.15 3i3x s VAL 189 CO -0.09 -0.08 0.77 0.58 0.00 0.00 0.00 175.10 176.29 3i3x h VAL 190 N 5.28 1.07 0.00 2.92 2.07 -0.87 0.25 116.25 126.96 3i3x h VAL 190 Ca -0.30 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.66 3i3x h VAL 190 Cb 1.13 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.77 3i3x h VAL 190 CO 0.93 0.83 0.00 0.61 0.02 0.00 0.00 177.57 179.96 3i3x n GLY 191 N 1.81 -0.57 3.78 2.17 0.00 -1.23 -4.86 105.19 106.29 3i3x n GLY 191 Ca -0.22 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 3i3x n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3x s LEU 192 N 0.00 4.36 -1.36 0.99 1.43 -1.26 -0.47 118.68 122.37 3i3x s LEU 192 Ca 0.00 1.89 -0.14 0.00 -1.03 0.00 0.00 54.13 54.85 3i3x s LEU 192 Cb 0.00 -3.97 0.09 0.00 0.03 0.00 0.00 46.19 42.33 3i3x s LEU 192 CO 0.00 -0.09 1.96 -3.20 0.23 0.00 0.00 176.35 175.25 3i3x n ASN 193 N 0.62 4.52 -0.09 2.29 5.15 0.13 -4.54 115.26 123.34 3i3x n ASN 193 Ca 0.02 -2.93 -0.12 0.00 -0.60 0.00 0.00 54.58 50.95 3i3x n ASN 193 Cb 0.49 -1.63 -0.04 0.00 -0.53 0.00 0.00 39.78 38.07 3i3x n ASN 193 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3i3x h SER 194 N 6.41 0.52 -0.59 1.20 0.02 -1.93 -1.95 113.55 117.23 3i3x h SER 194 Ca 0.48 -0.37 0.08 0.00 -0.84 0.00 0.00 61.79 61.14 3i3x h SER 194 Cb 0.71 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 63.04 3i3x h SER 194 CO 1.67 0.77 0.23 0.58 -1.14 0.00 0.00 176.83 178.95 3i3x h VAL 195 N 0.26 0.81 -0.56 2.27 2.07 -1.99 0.52 116.25 119.63 3i3x h VAL 195 Ca 0.07 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 3i3x h VAL 195 Cb 0.55 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3i3x h VAL 195 CO 0.03 0.08 -0.05 1.23 0.02 0.00 0.00 177.57 178.88 3i3x h GLY 196 N 0.43 1.10 1.05 2.17 0.00 -1.88 -0.48 103.07 105.46 3i3x h GLY 196 Ca 0.29 -0.85 -0.10 0.00 0.00 0.00 0.00 47.33 46.67 3i3x h GLY 196 CO -0.28 0.78 -0.05 -0.33 0.00 0.00 0.00 176.54 176.66 3i3x h MET 197 N 0.91 0.97 0.06 4.80 2.86 -0.91 -1.37 114.93 122.25 3i3x h MET 197 Ca 0.15 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3i3x h MET 197 Cb 0.60 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.19 3i3x h MET 197 CO 0.04 1.00 -0.03 0.87 1.06 0.00 0.00 176.91 179.85 3i3x h LYS 198 N 0.84 -0.08 -0.91 1.72 1.57 -0.82 -1.25 116.57 117.64 3i3x h LYS 198 Ca 0.14 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 59.13 3i3x h LYS 198 Cb 0.60 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.81 3i3x h LYS 198 CO 0.04 0.17 0.45 -0.09 -0.57 0.00 0.00 179.45 179.45 3i3x h ARG 199 N -0.33 0.50 0.00 3.15 2.43 -1.10 0.43 114.38 119.47 3i3x h ARG 199 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3i3x h ARG 199 Cb 0.29 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3i3x h ARG 199 CO 0.01 0.33 0.00 0.00 -1.51 0.00 0.00 179.97 178.81 3i3x n ALA 200 N -2.44 2.29 -1.69 2.80 0.00 -0.52 -4.90 120.51 116.06 3i3x n ALA 200 Ca 0.21 -0.13 -0.07 0.00 0.00 0.00 0.00 53.44 53.45 3i3x n ALA 200 Cb 0.60 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 3i3x n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3x n GLY 201 N 0.58 0.50 3.75 0.00 0.00 0.15 -5.00 105.19 105.17 3i3x n GLY 201 Ca 0.14 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 3i3x n GLY 201 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i3x n PHE 202 N -3.41 2.89 -1.92 1.61 3.01 -0.51 -4.97 117.46 114.16 3i3x n PHE 202 Ca -0.08 0.28 -0.36 0.00 1.01 0.00 0.00 57.45 58.29 3i3x n PHE 202 Cb 0.41 -2.59 0.04 0.00 -0.01 0.00 0.00 39.48 37.33 3i3x n PHE 202 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3i3x s SER 203 N 0.42 5.01 0.49 4.37 1.04 -1.26 -4.76 113.70 119.01 3i3x s SER 203 Ca 0.62 2.43 0.26 0.00 0.48 0.00 0.00 55.95 59.74 3i3x s SER 203 Cb -0.49 -2.60 1.33 0.00 0.10 0.00 0.00 66.02 64.36 3i3x s SER 203 CO 0.51 -1.72 1.88 1.55 0.98 0.00 0.00 173.24 176.44 3i3x h PRO 204 N 0.73 0.15 -0.43 4.02 0.13 -1.98 -1.52 132.00 133.10 3i3x h PRO 204 Ca -0.50 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 3i3x h PRO 204 Cb 1.30 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 3i3x h PRO 204 CO 0.54 0.10 0.09 0.93 -0.23 0.00 0.00 178.00 179.43 3i3x h GLU 205 N 0.15 0.70 -0.12 0.86 3.07 -1.98 0.61 114.58 117.87 3i3x h GLU 205 Ca 0.44 -0.18 -0.05 0.00 -0.50 0.00 0.00 59.36 59.06 3i3x h GLU 205 Cb 1.48 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 29.30 3i3x h GLU 205 CO -0.08 0.72 -0.14 0.28 -1.40 0.00 0.00 179.01 178.40 3i3x h VAL 206 N 0.57 1.36 -0.95 3.13 2.07 -1.82 -1.36 116.25 119.25 3i3x h VAL 206 Ca 0.13 -1.32 0.05 0.00 0.82 0.00 0.00 66.70 66.38 3i3x h VAL 206 Cb 0.35 1.95 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 3i3x h VAL 206 CO 0.01 0.38 0.62 0.03 0.02 0.00 0.00 177.57 178.63 3i3x h ARG 207 N -0.09 1.13 -0.19 1.57 3.08 -1.29 0.45 114.38 119.03 3i3x h ARG 207 Ca 0.02 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 3i3x h ARG 207 Cb 0.67 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3i3x h ARG 207 CO 0.03 0.75 -0.48 -0.91 -1.07 0.00 0.00 179.97 178.29 3i3x h ASN 208 N 1.17 0.55 -0.32 7.04 2.35 -0.81 -0.13 115.58 125.43 3i3x h ASN 208 Ca 0.39 -0.27 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 3i3x h ASN 208 Cb 0.07 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3i3x h ASN 208 CO -0.13 0.94 -0.18 0.00 -1.65 0.00 0.00 177.43 176.41 3i3x h ALA 209 N 1.08 0.92 -0.57 -0.83 0.00 -0.66 0.20 119.26 119.39 3i3x h ALA 209 Ca 0.02 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3i3x h ALA 209 Cb 0.99 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3i3x h ALA 209 CO 0.09 0.62 0.11 0.82 0.00 0.00 0.00 179.25 180.89 3i3x h ILE 210 N 0.69 1.25 -0.43 0.00 2.04 -0.79 -0.16 117.51 120.11 3i3x h ILE 210 Ca 0.10 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.03 3i3x h ILE 210 Cb 0.68 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3i3x h ILE 210 CO 0.05 0.34 0.27 0.50 0.00 0.00 0.00 178.15 179.32 3i3x h LYS 211 N 0.83 0.54 -0.48 2.37 3.64 -0.61 -2.09 116.57 120.76 3i3x h LYS 211 Ca 0.17 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3i3x h LYS 211 Cb 0.39 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3i3x h LYS 211 CO 0.01 0.36 0.20 1.25 -2.27 0.00 0.00 179.45 178.99 3i3x h HIS 212 N 0.56 0.73 -0.34 1.91 2.76 -0.47 -0.01 115.15 120.29 3i3x h HIS 212 Ca 0.16 -0.05 0.06 0.00 -2.20 0.00 0.00 60.37 58.34 3i3x h HIS 212 Cb -0.04 -0.22 -0.06 0.00 1.55 0.00 0.00 27.41 28.64 3i3x h HIS 212 CO -0.05 0.61 -0.04 0.00 -1.30 0.00 0.00 177.93 177.15 3i3x h ALA 213 N 1.04 0.27 0.00 5.26 0.00 -0.80 -1.55 119.26 123.48 3i3x h ALA 213 Ca 0.16 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3i3x h ALA 213 Cb 0.19 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3i3x h ALA 213 CO -0.01 -0.43 -0.24 1.88 0.00 0.00 0.00 179.25 180.45 3i3x h TYR 214 N 0.05 0.00 -0.16 0.00 0.05 -1.28 -1.94 116.97 113.68 3i3x h TYR 214 Ca 0.16 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 3i3x h TYR 214 Cb 0.24 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 3i3x h TYR 214 CO -0.28 0.24 0.06 -0.22 -1.05 0.00 0.00 178.16 176.91 3i3x h LYS 215 N 0.00 0.24 0.09 4.88 3.64 -0.25 0.18 116.57 125.34 3i3x h LYS 215 Ca -0.00 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3i3x h LYS 215 Cb 0.80 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 3i3x h LYS 215 CO 0.03 0.34 -0.12 0.28 -2.27 0.00 0.00 179.45 177.71 3i3x h VAL 216 N 0.09 0.71 -0.57 2.00 2.07 -1.18 0.40 116.25 119.77 3i3x h VAL 216 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 3i3x h VAL 216 Cb 0.19 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3i3x h VAL 216 CO -0.00 0.00 0.36 0.40 0.02 0.00 0.00 177.57 178.35 3i3x h ILE 217 N -0.25 1.11 0.00 4.57 2.04 -1.24 -3.36 117.51 120.38 3i3x h ILE 217 Ca 0.02 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3i3x h ILE 217 Cb 0.26 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3i3x h ILE 217 CO -0.06 0.13 0.00 -1.22 0.00 0.00 0.00 178.15 177.00 3i3x n TYR 218 N -4.72 0.00 -2.36 1.37 4.01 0.61 -4.64 117.16 111.43 3i3x n TYR 218 Ca 0.04 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.81 3i3x n TYR 218 Cb 0.05 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.10 3i3x n TYR 218 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3i3x n HIS 219 N -0.98 0.00 -0.96 -0.72 8.25 0.14 -4.82 115.22 116.13 3i3x n HIS 219 Ca 0.00 -0.42 0.04 0.00 -0.26 0.00 0.00 57.72 57.08 3i3x n HIS 219 Cb 0.00 -0.13 0.06 0.00 1.12 0.00 0.00 29.99 31.03 3i3x n HIS 219 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i3x n SER 220 N 0.34 1.47 -3.47 0.41 7.64 -1.03 -4.85 113.62 114.12 3i3x n SER 220 Ca 0.05 -2.30 -0.25 0.00 1.01 0.00 0.00 58.87 57.38 3i3x n SER 220 Cb 1.04 -0.21 0.01 0.00 -1.01 0.00 0.00 64.21 64.04 3i3x n SER 220 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i3x n GLY 221 N -0.70 -0.50 3.17 0.23 0.00 -1.26 -5.00 105.19 101.13 3i3x n GLY 221 Ca 0.06 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 3i3x n GLY 221 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i3x s ILE 222 N -3.10 0.93 0.79 -0.61 -4.36 -1.26 -5.14 121.20 108.45 3i3x s ILE 222 Ca 0.47 -1.60 -0.13 0.00 -0.26 0.00 0.00 60.65 59.13 3i3x s ILE 222 Cb -0.24 -1.31 0.08 0.00 1.25 0.00 0.00 42.46 42.23 3i3x s ILE 222 CO 0.58 -0.54 1.18 -0.94 0.24 0.00 0.00 174.94 175.46 3i3x s SER 223 N -2.38 3.82 0.24 4.36 1.04 -1.26 -4.76 113.70 114.77 3i3x s SER 223 Ca 0.04 2.25 -0.06 0.00 0.48 0.00 0.00 55.95 58.66 3i3x s SER 223 Cb -0.03 -2.57 0.31 0.00 0.10 0.00 0.00 66.02 63.82 3i3x s SER 223 CO 0.00 -2.51 1.88 0.74 0.98 0.00 0.00 173.24 174.33 3i3x h THR 224 N -0.89 1.11 -0.35 2.02 2.02 -1.96 0.23 112.91 115.10 3i3x h THR 224 Ca -0.46 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 66.36 3i3x h THR 224 Cb 1.28 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3i3x h THR 224 CO 0.47 0.20 0.21 -0.09 0.37 0.00 0.00 175.52 176.69 3i3x h ARG 225 N 1.10 0.42 -0.40 6.66 2.43 -1.97 -1.42 114.38 121.20 3i3x h ARG 225 Ca 0.37 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.42 3i3x h ARG 225 Cb 0.07 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3i3x h ARG 225 CO -0.14 0.28 -0.16 0.87 -1.51 0.00 0.00 179.97 179.31 3i3x h LYS 226 N 0.44 0.75 -0.77 0.20 1.57 -1.84 -2.90 116.57 114.01 3i3x h LYS 226 Ca 0.13 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 3i3x h LYS 226 Cb -0.02 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3i3x h LYS 226 CO -0.05 0.86 0.31 0.00 -0.57 0.00 0.00 179.45 180.00 3i3x h ALA 227 N 1.15 1.08 -0.36 3.86 0.00 -0.34 -1.11 119.26 123.54 3i3x h ALA 227 Ca 0.11 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3i3x h ALA 227 Cb 0.64 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3i3x h ALA 227 CO 0.04 0.65 -0.40 -0.07 0.00 0.00 0.00 179.25 179.48 3i3x h LEU 228 N 1.13 0.97 -0.79 0.00 3.38 -1.25 -2.28 115.31 116.47 3i3x h LEU 228 Ca 0.26 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3i3x h LEU 228 Cb 0.21 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3i3x h LEU 228 CO -0.02 1.25 0.36 0.44 0.09 0.00 0.00 178.44 180.56 3i3x h ASP 229 N 0.71 1.05 -0.66 -0.43 3.32 -1.36 -2.56 116.42 116.50 3i3x h ASP 229 Ca 0.05 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3i3x h ASP 229 Cb 0.99 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 3i3x h ASP 229 CO 0.10 0.90 0.29 -0.33 -1.72 0.00 0.00 179.24 178.48 3i3x h GLU 230 N 1.12 0.96 -0.68 3.56 5.08 -1.10 -1.72 114.58 121.80 3i3x h GLU 230 Ca 0.27 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3i3x h GLU 230 Cb 0.14 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3i3x h GLU 230 CO -0.03 0.79 0.40 -0.07 -1.00 0.00 0.00 179.01 179.10 3i3x h LEU 231 N 0.92 0.83 -0.12 1.33 3.38 -1.21 -2.19 115.31 118.24 3i3x h LEU 231 Ca 0.22 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3i3x h LEU 231 Cb 0.16 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3i3x h LEU 231 CO -0.02 0.65 -0.17 -0.33 0.09 0.00 0.00 178.44 178.66 3i3x h GLU 232 N 0.93 0.33 0.00 1.13 5.08 -1.31 -2.68 114.58 118.06 3i3x h GLU 232 Ca 0.24 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3i3x h GLU 232 Cb -0.01 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i3x h GLU 232 CO -0.04 0.77 0.00 0.00 -1.00 0.00 0.00 179.01 178.73 3i3x n ALA 233 N -2.44 1.21 0.33 3.43 0.00 -0.66 -2.29 120.51 120.10 3i3x n ALA 233 Ca -0.07 0.06 0.15 0.00 0.00 0.00 0.00 53.44 53.58 3i3x n ALA 233 Cb 0.39 -1.18 0.58 0.00 0.00 0.00 0.00 19.45 19.24 3i3x n ALA 233 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i3x h SER 234 N 0.00 0.00 0.00 0.00 0.87 -1.03 -3.49 113.55 109.90 3i3x h SER 234 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3i3x h SER 234 Cb 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 3i3x h SER 234 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 3i3x n GLY 235 N 0.12 0.21 3.67 5.77 0.00 -0.97 -5.01 105.19 108.98 3i3x n GLY 235 Ca 0.01 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 3i3x n GLY 235 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3x s ASN 236 N -4.00 7.02 0.14 1.61 0.01 -1.26 -4.84 114.94 113.63 3i3x s ASN 236 Ca 0.00 1.71 0.06 0.00 -0.71 0.00 0.00 52.86 53.92 3i3x s ASN 236 Cb 0.00 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 3i3x s ASN 236 CO 0.00 -0.66 0.00 -0.76 -1.51 0.00 0.00 177.10 174.17 3i3x s LEU 237 N 2.83 3.37 0.78 0.60 1.43 -1.26 -5.12 118.68 121.31 3i3x s LEU 237 Ca 0.54 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 53.22 3i3x s LEU 237 Cb -0.22 -2.05 0.06 0.00 0.03 0.00 0.00 46.19 44.01 3i3x s LEU 237 CO 0.17 0.12 1.10 0.27 0.23 0.00 0.00 176.35 178.24 3i3x s ILE 238 N -1.56 3.14 0.39 -0.59 -4.36 -1.26 -4.81 121.20 112.15 3i3x s ILE 238 Ca 0.27 0.39 0.13 0.00 -0.26 0.00 0.00 60.65 61.17 3i3x s ILE 238 Cb -0.10 -2.82 0.12 0.00 1.25 0.00 0.00 42.46 40.91 3i3x s ILE 238 CO 0.18 -0.47 1.88 1.05 0.24 0.00 0.00 174.94 177.83 3i3x h GLU 239 N -1.11 0.02 -0.46 0.37 4.11 -1.99 -1.52 114.58 114.00 3i3x h GLU 239 Ca -0.44 -0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.00 3i3x h GLU 239 Cb 1.24 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 3i3x h GLU 239 CO 0.50 0.32 0.27 1.96 0.07 0.00 0.00 179.01 182.14 3i3x h GLN 240 N 0.02 0.54 -0.32 1.06 7.50 -1.99 0.07 115.11 121.99 3i3x h GLN 240 Ca 0.00 -0.03 -0.15 0.00 0.50 0.00 0.00 58.65 58.97 3i3x h GLN 240 Cb 0.54 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.94 3i3x h GLN 240 CO 0.04 0.35 -0.40 0.28 -1.50 0.00 0.00 178.83 177.60 3i3x h VAL 241 N 0.55 1.28 -0.60 -0.54 2.07 -1.77 -0.65 116.25 116.59 3i3x h VAL 241 Ca 0.18 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 3i3x h VAL 241 Cb 0.01 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3i3x h VAL 241 CO -0.08 0.52 0.32 0.11 0.02 0.00 0.00 177.57 178.45 3i3x h LYS 242 N 0.63 0.83 -0.42 1.57 1.57 -1.08 -1.25 116.57 118.42 3i3x h LYS 242 Ca 0.05 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3i3x h LYS 242 Cb 0.96 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 3i3x h LYS 242 CO 0.09 0.63 0.10 -0.92 -0.57 0.00 0.00 179.45 178.77 3i3x h TYR 243 N 0.84 0.71 -0.32 -1.35 -0.00 -0.61 -0.80 116.97 115.44 3i3x h TYR 243 Ca 0.21 -0.09 0.04 0.00 -0.00 0.00 0.00 58.73 58.90 3i3x h TYR 243 Cb 0.04 -0.20 -0.04 0.00 -0.00 0.00 0.00 36.73 36.53 3i3x h TYR 243 CO 0.01 0.67 0.07 0.82 -0.00 0.00 0.00 178.16 179.73 3i3x h ILE 244 N 0.54 0.86 0.18 1.81 2.04 -0.54 0.15 117.51 122.54 3i3x h ILE 244 Ca 0.13 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3i3x h ILE 244 Cb 0.32 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3i3x h ILE 244 CO 0.00 0.03 -0.08 0.40 0.00 0.00 0.00 178.15 178.50 3i3x h ILE 245 N 0.19 0.84 -0.66 -0.67 2.04 -1.06 -2.20 117.51 115.99 3i3x h ILE 245 Ca 0.15 -0.06 0.09 0.00 1.00 0.00 0.00 64.86 66.04 3i3x h ILE 245 Cb 0.15 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 3i3x h ILE 245 CO -0.19 0.01 0.29 0.50 0.00 0.00 0.00 178.15 178.77 3i3x h LYS 246 N -0.27 0.49 -0.51 2.37 3.64 -1.03 -1.72 116.57 119.54 3i3x h LYS 246 Ca -0.02 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3i3x h LYS 246 Cb 0.21 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 3i3x h LYS 246 CO 0.04 0.32 0.28 0.35 -2.27 0.00 0.00 179.45 178.17 3i3x h PHE 247 N 0.50 0.52 -0.26 1.91 3.57 -0.77 0.38 116.94 122.79 3i3x h PHE 247 Ca 0.33 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 3i3x h PHE 247 Cb 0.38 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3i3x h PHE 247 CO -0.14 0.28 0.06 0.74 -2.23 0.00 0.00 178.31 177.02 3i3x h PHE 248 N 0.56 0.44 -0.56 0.41 -1.00 -1.07 -2.85 116.94 112.86 3i3x h PHE 248 Ca 0.21 -0.05 -0.08 0.00 2.81 0.00 0.00 57.97 60.86 3i3x h PHE 248 Cb 0.08 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 3i3x h PHE 248 CO -0.08 0.51 0.04 0.00 -1.61 0.00 0.00 178.31 177.17 3i3x h ARG 249 N 0.24 0.96 -0.00 1.51 2.47 -1.09 -3.15 114.38 115.31 3i3x h ARG 249 Ca 0.08 -0.28 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 3i3x h ARG 249 Cb 0.29 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 3i3x h ARG 249 CO 0.00 0.94 -0.04 -0.25 0.56 0.00 0.00 179.97 181.18 3i3x n ASP 250 N -4.29 0.11 -4.74 7.04 8.00 0.10 -4.93 116.55 117.85 3i3x n ASP 250 Ca 0.02 -0.14 -0.42 0.00 0.71 0.00 0.00 54.79 54.96 3i3x n ASP 250 Cb 0.30 -0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 41.13 3i3x n ASP 250 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3i3x n SER 251 N -1.26 3.79 -0.10 -2.24 2.88 -1.08 -4.95 113.62 110.68 3i3x n SER 251 Ca 0.13 1.13 -0.18 0.00 -1.33 0.00 0.00 58.87 58.62 3i3x n SER 251 Cb 0.27 -1.58 -0.10 0.00 -0.75 0.00 0.00 64.21 62.05 3i3x n SER 251 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3i3x h ASP 252 N 5.06 0.00 0.49 -3.46 3.32 -1.91 -3.38 116.42 116.54 3i3x h ASP 252 Ca -0.46 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.11 3i3x h ASP 252 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3i3x h ASP 252 CO 0.82 1.33 -0.35 0.54 -1.72 0.00 0.00 179.24 179.86 3i3x n ARG 253 N -4.48 0.24 0.00 3.56 1.74 -1.26 -5.06 116.66 111.41 3i3x n ARG 253 Ca -0.26 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 3i3x n ARG 253 Cb 0.60 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 3i3x n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i3x n GLY 254 N 1.44 -0.13 3.61 -0.13 0.00 -1.26 -4.86 105.19 103.86 3i3x n GLY 254 Ca 0.08 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 3i3x n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i3x s VAL 255 N -1.31 3.86 0.14 1.61 1.01 -1.26 -1.55 120.40 122.90 3i3x s VAL 255 Ca 0.00 -0.49 -0.34 0.00 0.00 0.00 0.00 61.98 61.16 3i3x s VAL 255 Cb 0.00 -2.62 -0.17 0.00 0.00 0.00 0.00 36.38 33.60 3i3x s VAL 255 CO 0.00 0.55 1.05 0.41 0.00 0.00 0.00 175.10 177.11 3i3x n THR 256 N 2.03 0.84 -1.64 3.92 -1.04 -0.31 -4.76 114.28 113.32 3i3x n THR 256 Ca -0.17 -0.21 -0.43 0.00 -2.04 0.00 0.00 64.05 61.19 3i3x n THR 256 Cb 0.53 -0.54 -0.01 0.00 -1.82 0.00 0.00 70.33 68.49 3i3x n THR 256 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3i3x n ASN 257 N 1.92 1.95 -4.78 8.00 3.02 -1.26 -4.53 115.26 119.58 3i3x n ASN 257 Ca 0.17 1.18 -0.37 0.00 -0.03 0.00 0.00 54.58 55.52 3i3x n ASN 257 Cb 0.21 -1.38 -0.06 0.00 -0.61 0.00 0.00 39.78 37.94 3i3x n ASN 257 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3i3x s HIS 258 N -1.10 3.61 -2.00 3.10 2.46 -1.26 -0.30 115.29 119.79 3i3x s HIS 258 Ca 0.58 1.75 0.12 0.00 0.47 0.00 0.00 55.06 57.98 3i3x s HIS 258 Cb -0.63 -3.00 0.70 0.00 -0.13 0.00 0.00 32.58 29.52 3i3x s HIS 258 CO 0.61 -0.03 1.13 -2.13 -2.47 0.00 0.00 174.74 171.85