#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7f s LEU 11 N 0.00 5.13 -0.43 1.08 0.20 -1.26 -5.03 118.68 118.37 3i7f s LEU 11 Ca 0.00 -1.08 -0.28 0.00 0.69 0.00 0.00 54.13 53.46 3i7f s LEU 11 Cb 0.00 -2.39 0.02 0.00 -0.43 0.00 0.00 46.19 43.40 3i7f s LEU 11 CO 0.00 -0.93 1.07 -2.16 -0.29 0.00 0.00 176.35 174.04 3i7f s PRO 12 N 2.56 3.79 0.88 0.98 0.04 -1.26 -4.99 135.00 137.00 3i7f s PRO 12 Ca 0.13 0.62 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 3i7f s PRO 12 Cb -0.21 -3.86 0.12 0.00 0.04 0.00 0.00 34.50 30.59 3i7f s PRO 12 CO 0.10 -1.20 1.10 -1.25 0.04 0.00 0.00 177.00 175.79 3i7f s PRO 13 N 4.05 1.39 0.23 0.56 0.04 -1.26 -4.97 135.00 135.04 3i7f s PRO 13 Ca 0.45 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 3i7f s PRO 13 Cb -0.09 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 3i7f s PRO 13 CO 0.26 -2.25 1.28 0.08 0.04 0.00 0.00 177.00 176.40 3i7f s VAL 14 N -2.80 3.16 -0.13 -0.36 1.01 -1.26 -5.04 120.40 114.98 3i7f s VAL 14 Ca 0.64 1.01 -0.06 0.00 0.00 0.00 0.00 61.98 63.57 3i7f s VAL 14 Cb -0.20 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3i7f s VAL 14 CO 0.58 0.18 0.11 -0.69 0.00 0.00 0.00 175.10 175.28 3i7f s VAL 15 N -0.30 5.27 -0.22 2.92 1.01 -1.26 -5.09 120.40 122.72 3i7f s VAL 15 Ca 0.53 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.63 3i7f s VAL 15 Cb -0.36 -3.30 0.06 0.00 0.00 0.00 0.00 36.38 32.78 3i7f s VAL 15 CO 0.41 0.59 -0.02 -0.76 0.00 0.00 0.00 175.10 175.32 3i7f s LEU 16 N -0.79 2.14 1.02 3.92 1.43 -1.26 -5.13 118.68 120.01 3i7f s LEU 16 Ca 0.13 -1.08 -0.16 0.00 -1.03 0.00 0.00 54.13 51.99 3i7f s LEU 16 Cb -0.12 -0.99 0.21 0.00 0.03 0.00 0.00 46.19 45.32 3i7f s LEU 16 CO 0.03 -0.26 1.25 -0.76 0.23 0.00 0.00 176.35 176.83 3i7f s LEU 17 N 1.54 2.12 0.28 1.79 1.43 -1.26 -5.04 118.68 119.55 3i7f s LEU 17 Ca -0.04 0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 3i7f s LEU 17 Cb -0.18 -2.44 -0.07 0.00 0.03 0.00 0.00 46.19 43.52 3i7f s LEU 17 CO -0.07 -3.05 0.63 -0.54 0.23 0.00 0.00 176.35 173.55 3i7f s LYS 18 N -5.70 3.84 0.23 1.70 1.02 -1.25 -4.84 119.74 114.73 3i7f s LYS 18 Ca 0.72 0.39 0.09 0.00 0.02 0.00 0.00 55.97 57.19 3i7f s LYS 18 Cb -0.06 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 3i7f s LYS 18 CO 0.54 0.22 -0.01 0.95 -0.92 0.00 0.00 175.35 176.12 3i7f s THR 19 N -1.96 3.53 0.66 2.17 -4.23 -1.26 -1.65 115.64 112.90 3i7f s THR 19 Ca 0.50 -1.71 -0.15 0.00 -1.18 0.00 0.00 61.69 59.14 3i7f s THR 19 Cb -0.11 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.90 3i7f s THR 19 CO 0.22 -0.26 1.13 -2.84 -0.54 0.00 0.00 174.62 172.33 3i7f s PRO 20 N -3.34 2.70 -0.84 3.99 0.02 -1.26 -4.98 135.00 131.29 3i7f s PRO 20 Ca 0.29 1.49 -0.14 0.00 0.02 0.00 0.00 61.00 62.66 3i7f s PRO 20 Cb -0.08 -1.93 0.22 0.00 0.02 0.00 0.00 34.50 32.74 3i7f s PRO 20 CO 0.19 -1.34 0.78 -1.21 -0.33 0.00 0.00 177.00 175.09 3i7f s GLU 21 N -3.99 3.62 0.30 5.54 2.02 -1.26 -5.05 118.70 119.88 3i7f s GLU 21 Ca 0.69 -2.51 -0.17 0.00 0.02 0.00 0.00 54.97 53.00 3i7f s GLU 21 Cb -0.23 -4.43 -0.09 0.00 0.10 0.00 0.00 34.13 29.49 3i7f s GLU 21 CO 0.41 -1.29 0.75 -0.51 0.02 0.00 0.00 175.26 174.64 3i7f s LEU 22 N 0.07 4.15 -0.43 1.80 1.43 -1.26 -5.04 118.68 119.41 3i7f s LEU 22 Ca 0.19 1.36 -0.13 0.00 -1.03 0.00 0.00 54.13 54.52 3i7f s LEU 22 Cb -0.10 -3.95 0.06 0.00 0.03 0.00 0.00 46.19 42.22 3i7f s LEU 22 CO -0.09 -0.14 0.30 -0.69 0.23 0.00 0.00 176.35 175.97 3i7f s VAL 23 N -1.84 4.82 0.67 -1.59 1.01 -1.26 -5.04 120.40 117.16 3i7f s VAL 23 Ca 0.51 -1.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 3i7f s VAL 23 Cb -0.12 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 3i7f s VAL 23 CO 0.18 -0.44 1.07 -0.44 0.00 0.00 0.00 175.10 175.47 3i7f s SER 24 N 2.09 5.37 0.00 3.32 0.01 -1.26 -4.84 113.70 118.39 3i7f s SER 24 Ca 0.03 1.75 0.00 0.00 1.31 0.00 0.00 55.95 59.04 3i7f s SER 24 Cb -0.22 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.49 3i7f s SER 24 CO 0.06 -1.45 0.00 0.61 0.41 0.00 0.00 173.24 172.87 3i7f n GLY 25 N -1.39 4.64 0.11 3.44 0.00 0.14 -4.99 105.19 107.14 3i7f n GLY 25 Ca 0.08 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 3i7f n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i7f h GLU 26 N 0.00 -0.16 -0.55 1.61 4.81 -1.99 -3.29 114.58 115.01 3i7f h GLU 26 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3i7f h GLU 26 Cb 0.00 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3i7f h GLU 26 CO 0.00 0.19 0.00 0.09 -0.73 0.00 0.00 179.01 178.56 3i7f n ASN 27 N -5.00 3.78 -3.33 1.04 3.02 -1.26 -4.79 115.26 108.72 3i7f n ASN 27 Ca -0.09 -2.17 -0.12 0.00 -0.03 0.00 0.00 54.58 52.18 3i7f n ASN 27 Cb 0.22 -0.42 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 3i7f n ASN 27 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3i7f s PHE 28 N -1.31 -0.81 0.03 3.10 -0.71 -1.23 -0.40 117.98 116.65 3i7f s PHE 28 Ca 0.40 0.06 -0.00 0.00 -1.04 0.00 0.00 56.93 56.35 3i7f s PHE 28 Cb 0.23 -0.25 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 3i7f s PHE 28 CO 0.24 -0.97 -0.03 -1.59 -1.34 0.00 0.00 175.22 171.53 3i7f s LYS 29 N 2.35 0.39 -0.27 1.99 0.00 -1.09 0.23 119.74 123.35 3i7f s LYS 29 Ca 0.11 -0.77 -0.20 0.00 0.00 0.00 0.00 55.97 55.11 3i7f s LYS 29 Cb -0.13 0.14 -0.02 0.00 0.00 0.00 0.00 37.83 37.82 3i7f s LYS 29 CO -0.27 -0.07 0.60 0.08 0.00 0.00 0.00 175.35 175.68 3i7f s VAL 30 N -2.13 5.00 0.73 1.79 1.01 -1.26 -0.47 120.40 125.07 3i7f s VAL 30 Ca -0.10 0.97 -0.13 0.00 0.00 0.00 0.00 61.98 62.73 3i7f s VAL 30 Cb -0.05 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.44 3i7f s VAL 30 CO -0.03 -0.01 1.11 -0.04 0.00 0.00 0.00 175.10 176.13 3i7f s MET 31 N 2.48 2.40 0.73 2.72 1.00 -0.02 -4.92 119.30 123.69 3i7f s MET 31 Ca 0.24 1.34 -0.11 0.00 0.00 0.00 0.00 55.69 57.16 3i7f s MET 31 Cb -0.15 -1.90 0.03 0.00 0.00 0.00 0.00 34.83 32.80 3i7f s MET 31 CO 0.10 -1.55 1.08 -1.25 0.00 0.00 0.00 175.02 173.39 3i7f s PRO 32 N -4.45 2.59 0.15 2.03 0.04 -1.26 -4.90 135.00 129.20 3i7f s PRO 32 Ca 0.65 1.09 -0.34 0.00 0.04 0.00 0.00 61.00 62.44 3i7f s PRO 32 Cb -0.20 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.25 3i7f s PRO 32 CO 0.49 -1.38 1.41 -0.12 0.04 0.00 0.00 177.00 177.44 3i7f n MET 33 N -3.27 1.67 -1.95 4.56 0.00 -1.26 -4.84 117.12 112.03 3i7f n MET 33 Ca 0.08 0.60 -0.43 0.00 -0.00 0.00 0.00 57.70 57.96 3i7f n MET 33 Cb 0.53 -2.27 -0.03 0.00 0.00 0.00 0.00 33.22 31.46 3i7f n MET 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 3i7f s HIS 34 N 0.43 1.78 -0.18 1.12 2.46 -1.26 -4.86 115.29 114.78 3i7f s HIS 34 Ca 0.78 0.45 0.13 0.00 0.47 0.00 0.00 55.06 56.88 3i7f s HIS 34 Cb -0.79 -4.04 0.41 0.00 -0.13 0.00 0.00 32.58 28.03 3i7f s HIS 34 CO 0.45 -3.44 1.21 1.04 -2.47 0.00 0.00 174.74 171.53 3i7f n GLN 35 N 8.01 1.42 -3.41 2.88 6.02 -1.26 -5.00 117.38 126.03 3i7f n GLN 35 Ca 0.22 -3.12 -0.20 0.00 -0.01 0.00 0.00 57.00 53.89 3i7f n GLN 35 Cb 0.45 -1.46 0.05 0.00 1.02 0.00 0.00 30.24 30.30 3i7f n GLN 35 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3i7f n SER 36 N -1.00 -6.23 -4.33 1.08 7.64 -1.26 -5.01 113.62 104.50 3i7f n SER 36 Ca 0.17 -0.75 -0.19 0.00 1.01 0.00 0.00 58.87 59.11 3i7f n SER 36 Cb 0.73 -4.36 -0.10 0.00 -1.01 0.00 0.00 64.21 59.46 3i7f n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i7f s GLN 37 N -4.84 1.29 0.30 1.43 -2.07 -1.26 -5.05 119.66 109.46 3i7f s GLN 37 Ca 0.38 -1.52 0.04 0.00 -1.82 0.00 0.00 55.36 52.45 3i7f s GLN 37 Cb -0.09 -1.14 0.67 0.00 -1.09 0.00 0.00 33.01 31.36 3i7f s GLN 37 CO 0.80 0.20 1.80 -1.35 -1.32 0.00 0.00 175.29 175.42 3i7f h PRO 38 N 2.79 0.83 0.00 9.60 0.11 -1.97 -0.73 132.00 142.63 3i7f h PRO 38 Ca -0.39 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i7f h PRO 38 Cb 1.22 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3i7f h PRO 38 CO 0.59 0.55 -0.00 0.00 -0.21 0.00 0.00 178.00 178.92 3i7f n TYR 40 N -3.41 0.02 -2.85 0.00 4.02 -0.28 -4.59 117.16 110.07 3i7f n TYR 40 Ca -0.03 -0.01 -0.43 0.00 -0.01 0.00 0.00 57.90 57.41 3i7f n TYR 40 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 3i7f n TYR 40 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3i7f n LYS 41 N -0.17 3.74 0.09 -0.72 5.02 0.13 -4.80 118.16 121.46 3i7f n LYS 41 Ca 0.20 -4.03 -0.04 0.00 -2.02 0.00 0.00 58.31 52.42 3i7f n LYS 41 Cb 0.27 -2.79 0.17 0.00 -0.02 0.00 0.00 35.03 32.66 3i7f n LYS 41 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3i7f h THR 42 N 3.89 1.36 -0.03 -0.18 1.35 -1.81 -3.47 112.91 114.02 3i7f h THR 42 Ca 0.29 -1.80 -0.01 0.00 -0.55 0.00 0.00 66.41 64.34 3i7f h THR 42 Cb 0.74 1.88 -0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3i7f h THR 42 CO 1.34 0.53 -0.01 0.61 -0.25 0.00 0.00 175.52 177.74 3i7f n GLY 43 N 0.08 0.33 3.77 5.82 0.00 -1.26 -5.03 105.19 108.90 3i7f n GLY 43 Ca -0.02 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 3i7f n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7f s LEU 44 N -0.13 2.11 -0.30 0.99 1.43 -1.26 -5.06 118.68 116.47 3i7f s LEU 44 Ca 0.00 1.12 -0.09 0.00 -1.03 0.00 0.00 54.13 54.13 3i7f s LEU 44 Cb 0.00 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 3i7f s LEU 44 CO 0.00 -2.50 0.14 -0.75 0.23 0.00 0.00 176.35 173.46 3i7f s LYS 45 N -5.18 3.40 -0.08 1.70 2.20 -1.26 -5.08 119.74 115.44 3i7f s LYS 45 Ca 0.63 -0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 55.28 3i7f s LYS 45 Cb -0.15 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 3i7f s LYS 45 CO 0.54 -0.37 0.99 0.71 -0.36 0.00 0.00 175.35 176.86 3i7f s TYR 46 N 1.61 3.55 -0.16 4.03 2.02 -1.26 -4.37 117.35 122.77 3i7f s TYR 46 Ca 0.05 1.60 -0.10 0.00 -0.37 0.00 0.00 57.07 58.25 3i7f s TYR 46 Cb -0.17 -3.16 -0.05 0.00 -0.40 0.00 0.00 41.96 38.19 3i7f s TYR 46 CO 0.06 -0.17 0.17 0.99 -1.57 0.00 0.00 175.55 175.03 3i7f s THR 47 N 1.76 5.41 0.26 -0.71 2.01 -0.72 -5.03 115.64 118.63 3i7f s THR 47 Ca 0.49 0.28 -0.23 0.00 0.31 0.00 0.00 61.69 62.53 3i7f s THR 47 Cb -0.19 -3.48 -0.09 0.00 0.01 0.00 0.00 72.50 68.75 3i7f s THR 47 CO 0.20 0.50 0.83 -1.61 -0.69 0.00 0.00 174.62 173.85 3i7f s GLU 48 N -0.18 4.43 0.19 4.92 8.01 -1.26 -4.58 118.70 130.23 3i7f s GLU 48 Ca 0.12 1.10 -0.12 0.00 0.01 0.00 0.00 54.97 56.09 3i7f s GLU 48 Cb -0.12 -2.89 0.13 0.00 -4.31 0.00 0.00 34.13 26.95 3i7f s GLU 48 CO 0.02 0.36 1.85 0.82 0.01 0.00 0.00 175.26 178.32 3i7f h ILE 49 N 2.75 1.12 0.00 -1.63 2.04 -1.96 0.52 117.51 120.34 3i7f h ILE 49 Ca -0.47 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3i7f h ILE 49 Cb 1.19 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3i7f h ILE 49 CO 0.65 0.15 0.36 1.05 0.00 0.00 0.00 178.15 180.36 3i7f h GLU 50 N 0.81 0.00 0.00 2.37 4.11 -1.94 -0.46 114.58 119.47 3i7f h GLU 50 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 3i7f h GLU 50 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3i7f h GLU 50 CO -0.08 0.00 -0.70 0.93 0.07 0.00 0.00 179.01 179.23 3i7f h GLU 51 N 0.00 0.00 -6.35 1.06 5.08 -1.27 -3.45 114.58 109.65 3i7f h GLU 51 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 3i7f h GLU 51 Cb 0.72 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 3i7f h GLU 51 CO 0.00 0.00 1.21 -0.51 -1.00 0.00 0.00 179.01 178.71 3i7f s LEU 52 N -4.62 3.53 0.02 1.33 1.43 -0.18 -4.88 118.68 115.31 3i7f s LEU 52 Ca 0.04 1.16 -0.25 0.00 -1.03 0.00 0.00 54.13 54.05 3i7f s LEU 52 Cb 0.12 -3.52 0.06 0.00 0.03 0.00 0.00 46.19 42.88 3i7f s LEU 52 CO 0.74 -1.62 0.56 -0.69 0.23 0.00 0.00 176.35 175.57 3i7f s VAL 53 N 6.43 0.02 0.62 -1.59 1.01 -1.26 -4.88 120.40 120.75 3i7f s VAL 53 Ca 0.74 -0.16 0.29 0.00 0.00 0.00 0.00 61.98 62.85 3i7f s VAL 53 Cb -0.20 -0.96 0.35 0.00 0.00 0.00 0.00 36.38 35.57 3i7f s VAL 53 CO 0.33 -0.09 1.95 -0.65 0.00 0.00 0.00 175.10 176.65 3i7f h PRO 54 N 2.86 0.00 -1.52 2.72 0.11 -1.91 -0.14 132.00 134.13 3i7f h PRO 54 Ca -0.30 0.00 0.45 0.00 0.11 0.00 0.00 66.00 66.26 3i7f h PRO 54 Cb 1.20 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 3i7f h PRO 54 CO 0.40 0.00 1.06 0.00 -0.21 0.00 0.00 178.00 179.25 3i7f h ALA 55 N 1.48 3.27 -0.87 -0.75 0.00 -1.96 -2.94 119.26 117.49 3i7f h ALA 55 Ca 0.10 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.54 3i7f h ALA 55 Cb 0.83 0.13 -0.42 0.00 0.00 0.00 0.00 17.79 18.34 3i7f h ALA 55 CO -0.00 -1.77 -0.92 0.00 0.00 0.00 0.00 179.25 176.56 3i7f n MET 56 N -4.23 2.82 -1.90 0.00 0.00 -0.06 -5.04 117.12 108.70 3i7f n MET 56 Ca 0.36 -3.97 -0.38 0.00 0.00 0.00 0.00 57.70 53.70 3i7f n MET 56 Cb 1.57 -1.98 0.02 0.00 0.00 0.00 0.00 33.22 32.83 3i7f n MET 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3i7f s ALA 57 N -3.58 2.94 0.00 3.17 0.00 -1.11 -3.05 121.76 120.13 3i7f s ALA 57 Ca 0.42 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.64 3i7f s ALA 57 Cb 0.39 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3i7f s ALA 57 CO -0.03 -1.16 0.00 0.39 0.00 0.00 0.00 175.76 174.96 3i7f n GLU 58 N -0.72 0.00 -2.57 0.00 4.71 0.57 -4.96 120.64 117.66 3i7f n GLU 58 Ca 0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.93 3i7f n GLU 58 Cb 0.45 -3.29 -0.03 0.00 -1.01 0.00 0.00 31.44 27.57 3i7f n GLU 58 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3i7f s LYS 59 N -0.38 3.82 -0.02 3.49 -0.14 -1.17 -4.82 119.74 120.52 3i7f s LYS 59 Ca 0.00 0.68 -0.02 0.00 -1.36 0.00 0.00 55.97 55.27 3i7f s LYS 59 Cb 0.00 -2.26 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 3i7f s LYS 59 CO 0.00 -0.19 0.12 0.95 -0.76 0.00 0.00 175.35 175.47 3i7f s THR 60 N -2.56 5.01 0.08 2.17 -4.23 -1.26 -1.05 115.64 113.80 3i7f s THR 60 Ca 0.54 -0.28 -0.02 0.00 -1.18 0.00 0.00 61.69 60.75 3i7f s THR 60 Cb -0.10 -3.29 -0.03 0.00 1.34 0.00 0.00 72.50 70.41 3i7f s THR 60 CO 0.34 0.37 0.04 0.68 -0.54 0.00 0.00 174.62 175.51 3i7f s VAL 61 N -1.22 0.17 -0.01 2.29 -7.23 0.68 -4.97 120.40 110.12 3i7f s VAL 61 Ca 0.23 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 3i7f s VAL 61 Cb -0.12 -1.64 0.01 0.00 0.56 0.00 0.00 36.38 35.19 3i7f s VAL 61 CO 0.14 -0.79 0.01 0.28 -0.31 0.00 0.00 175.10 174.44 3i7f s THR 62 N -3.94 0.00 -0.08 5.32 -1.32 -1.25 -0.66 115.64 113.71 3i7f s THR 62 Ca 0.11 0.07 -0.05 0.00 -1.21 0.00 0.00 61.69 60.61 3i7f s THR 62 Cb 0.07 -0.06 0.03 0.00 -1.51 0.00 0.00 72.50 71.04 3i7f s THR 62 CO -0.07 0.04 0.19 0.27 -2.21 0.00 0.00 174.62 172.84 3i7f s ILE 63 N 0.41 -0.03 -0.47 5.08 -4.36 -0.53 -1.75 121.20 119.55 3i7f s ILE 63 Ca -0.03 0.11 -0.20 0.00 -0.26 0.00 0.00 60.65 60.26 3i7f s ILE 63 Cb -0.05 -0.29 0.04 0.00 1.25 0.00 0.00 42.46 43.40 3i7f s ILE 63 CO -0.01 0.04 0.66 -0.60 0.24 0.00 0.00 174.94 175.28 3i7f s ARG 64 N 0.84 3.23 0.26 0.37 3.52 -1.26 -1.59 118.95 124.32 3i7f s ARG 64 Ca -0.06 -0.54 0.03 0.00 -0.13 0.00 0.00 55.73 55.03 3i7f s ARG 64 Cb -0.08 -4.01 -0.04 0.00 -1.56 0.00 0.00 34.95 29.27 3i7f s ARG 64 CO -0.05 -1.13 0.20 0.00 -0.81 0.00 0.00 175.30 173.52 3i7f s ALA 65 N 2.86 1.50 0.06 6.12 0.00 -0.57 -4.94 121.76 126.79 3i7f s ALA 65 Ca 0.21 -1.88 -0.27 0.00 0.00 0.00 0.00 51.96 50.02 3i7f s ALA 65 Cb -0.16 1.43 -0.05 0.00 0.00 0.00 0.00 23.12 24.34 3i7f s ALA 65 CO 0.17 -0.62 0.85 1.03 0.00 0.00 0.00 175.76 177.19 3i7f s ARG 66 N -3.83 4.58 -0.94 0.00 1.81 0.02 -0.88 118.95 119.71 3i7f s ARG 66 Ca 0.40 1.23 -0.21 0.00 -1.72 0.00 0.00 55.73 55.44 3i7f s ARG 66 Cb 0.05 -3.38 0.10 0.00 -0.45 0.00 0.00 34.95 31.27 3i7f s ARG 66 CO 0.19 0.23 1.23 0.08 -0.68 0.00 0.00 175.30 176.35 3i7f s VAL 67 N 0.07 4.41 0.27 3.52 1.01 -0.03 -1.34 120.40 128.30 3i7f s VAL 67 Ca 0.43 -1.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 3i7f s VAL 67 Cb -0.22 -4.87 0.17 0.00 0.00 0.00 0.00 36.38 31.46 3i7f s VAL 67 CO 0.26 -1.66 1.83 -0.61 0.00 0.00 0.00 175.10 174.92 3i7f h GLN 68 N 9.23 0.96 -2.50 2.72 4.15 -1.27 0.25 115.11 128.65 3i7f h GLN 68 Ca 0.13 -0.17 -0.09 0.00 0.77 0.00 0.00 58.65 59.29 3i7f h GLN 68 Cb 1.02 -0.16 -0.21 0.00 0.21 0.00 0.00 27.48 28.35 3i7f h GLN 68 CO 1.22 0.80 -0.07 0.00 -1.93 0.00 0.00 178.83 178.86 3i7f s ALA 69 N -5.39 -1.29 -0.30 3.38 0.00 -1.12 -4.40 121.76 112.64 3i7f s ALA 69 Ca -0.11 1.09 0.01 0.00 0.00 0.00 0.00 51.96 52.95 3i7f s ALA 69 Cb 0.16 -0.33 0.09 0.00 0.00 0.00 0.00 23.12 23.04 3i7f s ALA 69 CO 0.81 -0.29 0.06 0.08 0.00 0.00 0.00 175.76 176.42 3i7f s VAL 70 N -0.64 1.41 -0.15 0.00 1.01 -1.26 0.04 120.40 120.81 3i7f s VAL 70 Ca -0.07 -1.65 -0.08 0.00 0.00 0.00 0.00 61.98 60.18 3i7f s VAL 70 Cb -0.03 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3i7f s VAL 70 CO 0.05 -0.55 0.13 -0.60 0.00 0.00 0.00 175.10 174.12 3i7f s ARG 71 N 1.36 3.73 0.01 2.72 3.52 -0.30 -4.98 118.95 125.01 3i7f s ARG 71 Ca 0.08 -0.19 -0.02 0.00 -0.13 0.00 0.00 55.73 55.47 3i7f s ARG 71 Cb -0.18 -3.26 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 3i7f s ARG 71 CO -0.16 0.57 0.03 0.20 -0.81 0.00 0.00 175.30 175.13 3i7f s GLY 72 N -0.43 0.13 -0.00 8.12 0.00 -1.26 0.41 107.32 114.28 3i7f s GLY 72 Ca 0.12 -0.31 0.06 0.00 0.00 0.00 0.00 44.72 44.59 3i7f s GLY 72 CO 0.01 -0.39 1.04 1.17 0.00 0.00 0.00 173.10 174.94 3i7f n LYS 73 N 1.90 0.00 0.00 2.90 0.00 0.11 -5.00 118.16 118.07 3i7f n LYS 73 Ca -0.21 -1.24 0.00 0.00 0.00 0.00 0.00 58.31 56.87 3i7f n LYS 73 Cb 0.56 -0.39 0.00 0.00 0.00 0.00 0.00 35.03 35.20 3i7f n LYS 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i7f n GLY 74 N 0.11 2.31 0.09 3.14 0.00 -1.26 -4.04 105.19 105.54 3i7f n GLY 74 Ca 0.01 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3i7f n GLY 74 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i7f n ASN 75 N 5.49 0.70 -3.95 1.61 3.02 -1.26 -4.80 115.26 116.07 3i7f n ASN 75 Ca 0.00 0.57 -0.21 0.00 -0.03 0.00 0.00 54.58 54.91 3i7f n ASN 75 Cb 0.00 -0.76 -0.16 0.00 -0.61 0.00 0.00 39.78 38.25 3i7f n ASN 75 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3i7f s MET 76 N -3.09 1.09 -0.15 3.52 -1.94 -1.26 -1.46 119.30 116.01 3i7f s MET 76 Ca 0.11 -0.24 0.01 0.00 -1.71 0.00 0.00 55.69 53.87 3i7f s MET 76 Cb 0.13 -0.99 0.02 0.00 2.01 0.00 0.00 34.83 35.99 3i7f s MET 76 CO 0.58 -0.00 -0.19 0.08 -0.01 0.00 0.00 175.02 175.48 3i7f s VAL 77 N 0.65 1.91 -0.28 -6.03 1.01 0.17 0.05 120.40 117.89 3i7f s VAL 77 Ca -0.10 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 3i7f s VAL 77 Cb -0.13 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3i7f s VAL 77 CO 0.01 0.52 0.34 -0.36 0.00 0.00 0.00 175.10 175.61 3i7f s PHE 78 N 1.14 3.24 -0.25 5.22 0.40 0.16 -1.12 117.98 126.78 3i7f s PHE 78 Ca -0.00 0.32 -0.11 0.00 -0.60 0.00 0.00 56.93 56.54 3i7f s PHE 78 Cb -0.14 -2.54 -0.05 0.00 0.51 0.00 0.00 43.02 40.80 3i7f s PHE 78 CO -0.08 -0.23 0.17 -0.51 0.70 0.00 0.00 175.22 175.28 3i7f s LEU 79 N 2.01 4.10 -0.37 -0.37 1.43 0.07 -1.15 118.68 124.39 3i7f s LEU 79 Ca 0.13 0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 53.13 3i7f s LEU 79 Cb -0.16 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.94 3i7f s LEU 79 CO 0.10 0.04 0.61 0.12 0.23 0.00 0.00 176.35 177.45 3i7f s PHE 80 N 1.20 3.14 -0.07 0.29 5.36 0.11 -0.91 117.98 127.10 3i7f s PHE 80 Ca 0.08 0.24 -0.07 0.00 -0.96 0.00 0.00 56.93 56.21 3i7f s PHE 80 Cb -0.14 -3.12 -0.04 0.00 -0.34 0.00 0.00 43.02 39.37 3i7f s PHE 80 CO 0.06 -0.65 0.19 -0.51 -1.46 0.00 0.00 175.22 172.85 3i7f s LEU 81 N 2.65 4.39 0.09 6.12 1.43 0.17 -0.78 118.68 132.76 3i7f s LEU 81 Ca 0.23 0.51 0.05 0.00 -1.03 0.00 0.00 54.13 53.88 3i7f s LEU 81 Cb -0.15 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 3i7f s LEU 81 CO 0.15 0.36 -0.13 -0.60 0.23 0.00 0.00 176.35 176.36 3i7f s ARG 82 N -1.28 0.87 -0.30 1.70 3.52 -0.45 -1.31 118.95 121.70 3i7f s ARG 82 Ca 0.19 -1.08 -0.05 0.00 -0.13 0.00 0.00 55.73 54.67 3i7f s ARG 82 Cb -0.13 -0.73 0.19 0.00 -1.56 0.00 0.00 34.95 32.72 3i7f s ARG 82 CO 0.09 0.14 0.78 0.21 -0.81 0.00 0.00 175.30 175.71 3i7f s LYS 83 N -2.30 0.41 6.73 5.12 2.47 -0.18 -0.80 119.74 131.20 3i7f s LYS 83 Ca 0.03 0.66 0.00 0.00 -1.56 0.00 0.00 55.97 55.10 3i7f s LYS 83 Cb -0.06 0.36 0.00 0.00 -1.46 0.00 0.00 37.83 36.66 3i7f s LYS 83 CO 0.02 -0.52 0.00 0.41 0.16 0.00 0.00 175.35 175.42 3i7f n GLY 84 N 5.42 2.82 0.19 5.54 0.00 -1.26 -2.27 105.19 115.63 3i7f n GLY 84 Ca -0.01 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 45.83 3i7f n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i7f n ILE 85 N 0.00 0.00 -4.10 -0.61 -5.35 -1.26 -4.72 119.36 103.33 3i7f n ILE 85 Ca 0.00 -0.10 -0.31 0.00 -0.27 0.00 0.00 62.75 62.07 3i7f n ILE 85 Cb 0.00 -0.01 -0.07 0.00 -1.74 0.00 0.00 39.64 37.82 3i7f n ILE 85 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3i7f s TYR 86 N -2.23 3.13 0.02 4.28 2.02 -0.96 -4.95 117.35 118.65 3i7f s TYR 86 Ca 0.36 0.06 -0.03 0.00 -0.37 0.00 0.00 57.07 57.08 3i7f s TYR 86 Cb 0.21 -1.61 -0.01 0.00 -0.40 0.00 0.00 41.96 40.15 3i7f s TYR 86 CO 0.41 0.51 0.04 0.95 -1.57 0.00 0.00 175.55 175.89 3i7f s THR 87 N -1.33 0.11 0.36 -0.71 -4.23 -1.26 -1.01 115.64 107.57 3i7f s THR 87 Ca 0.27 -0.88 -0.06 0.00 -1.18 0.00 0.00 61.69 59.84 3i7f s THR 87 Cb -0.12 -0.42 0.02 0.00 1.34 0.00 0.00 72.50 73.32 3i7f s THR 87 CO 0.19 -0.48 0.57 0.00 -0.54 0.00 0.00 174.62 174.36 3i7f s GLN 89 N -2.84 2.68 0.02 0.00 0.74 -1.26 -0.66 119.66 118.33 3i7f s GLN 89 Ca 0.26 -0.76 0.09 0.00 0.05 0.00 0.00 55.36 55.00 3i7f s GLN 89 Cb -0.02 -2.36 -0.02 0.00 1.10 0.00 0.00 33.01 31.70 3i7f s GLN 89 CO 0.18 0.48 -0.26 0.00 -0.55 0.00 0.00 175.29 175.14 3i7f s ALA 90 N -0.37 2.18 -0.15 1.58 0.00 -0.09 -1.39 121.76 123.53 3i7f s ALA 90 Ca 0.03 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3i7f s ALA 90 Cb -0.12 -0.50 0.03 0.00 0.00 0.00 0.00 23.12 22.52 3i7f s ALA 90 CO 0.02 0.52 -0.13 -1.17 0.00 0.00 0.00 175.76 175.01 3i7f s LEU 91 N -0.95 1.73 -0.26 0.00 2.96 0.19 -0.76 118.68 121.60 3i7f s LEU 91 Ca 0.11 -0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 53.38 3i7f s LEU 91 Cb -0.10 -1.16 -0.05 0.00 0.50 0.00 0.00 46.19 45.38 3i7f s LEU 91 CO 0.01 -0.07 0.19 -0.69 -1.32 0.00 0.00 176.35 174.46 3i7f s VAL 92 N 1.49 5.33 -0.06 1.68 1.01 -0.28 -1.12 120.40 128.45 3i7f s VAL 92 Ca 0.04 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.24 3i7f s VAL 92 Cb -0.13 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.73 3i7f s VAL 92 CO -0.10 0.29 -0.10 -0.32 0.00 0.00 0.00 175.10 174.86 3i7f s MET 93 N 1.44 1.45 0.39 2.72 1.75 -1.26 -0.66 119.30 125.13 3i7f s MET 93 Ca 0.08 -0.34 -0.26 0.00 -1.25 0.00 0.00 55.69 53.92 3i7f s MET 93 Cb -0.15 -1.24 -0.11 0.00 2.84 0.00 0.00 34.83 36.17 3i7f s MET 93 CO 0.08 0.02 1.13 1.17 -0.65 0.00 0.00 175.02 176.77 3i7f n LYS 94 N 3.79 1.65 -1.66 4.11 4.81 -0.53 -4.68 118.16 125.66 3i7f n LYS 94 Ca -0.23 0.59 -0.01 0.00 -0.87 0.00 0.00 58.31 57.79 3i7f n LYS 94 Cb 0.52 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.41 3i7f n LYS 94 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3i7f n SER 95 N 0.56 -0.24 0.26 3.14 3.41 0.85 -4.91 113.62 116.70 3i7f n SER 95 Ca 0.08 -1.13 0.16 0.00 -0.26 0.00 0.00 58.87 57.72 3i7f n SER 95 Cb 0.38 0.39 0.89 0.00 -0.26 0.00 0.00 64.21 65.61 3i7f n SER 95 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3i7f h GLU 96 N 0.00 0.00 -0.00 4.33 5.08 -2.03 -3.23 114.58 118.73 3i7f h GLU 96 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3i7f h GLU 96 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3i7f h GLU 96 CO 0.05 0.00 -0.00 0.25 -1.00 0.00 0.00 179.01 178.31 3i7f n THR 97 N -3.77 0.00 -3.85 1.13 -2.24 -1.26 -4.94 114.28 99.35 3i7f n THR 97 Ca -0.01 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 61.01 3i7f n THR 97 Cb 0.19 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.25 3i7f n THR 97 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3i7f s ILE 98 N -0.39 0.80 0.36 2.28 1.01 -1.22 -5.08 121.20 118.97 3i7f s ILE 98 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.53 3i7f s ILE 98 Cb 0.00 -0.90 -0.00 0.00 0.01 0.00 0.00 42.46 41.57 3i7f s ILE 98 CO 0.00 0.29 0.50 -0.94 0.00 0.00 0.00 174.94 174.78 3i7f s SER 99 N 1.80 5.87 0.30 3.58 1.04 -1.26 -0.10 113.70 124.92 3i7f s SER 99 Ca 0.04 -0.26 0.06 0.00 0.48 0.00 0.00 55.95 56.27 3i7f s SER 99 Cb -0.13 -1.06 0.79 0.00 0.10 0.00 0.00 66.02 65.73 3i7f s SER 99 CO -0.07 -0.53 1.72 0.50 0.98 0.00 0.00 173.24 175.84 3i7f h LYS 100 N 0.83 0.49 -0.10 4.02 3.64 -1.99 0.14 116.57 123.59 3i7f h LYS 100 Ca -0.44 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 58.79 3i7f h LYS 100 Cb 1.26 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3i7f h LYS 100 CO 0.51 0.32 -0.49 0.93 -2.27 0.00 0.00 179.45 178.45 3i7f h GLU 101 N 0.50 0.26 -0.06 1.90 3.07 -1.98 -1.24 114.58 117.04 3i7f h GLU 101 Ca 0.60 -0.15 -0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3i7f h GLU 101 Cb 1.12 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3i7f h GLU 101 CO -0.49 0.70 0.02 0.35 -1.40 0.00 0.00 179.01 178.18 3i7f h PHE 102 N 0.21 0.09 -0.05 4.33 3.04 -1.40 -2.25 116.94 120.92 3i7f h PHE 102 Ca 0.01 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 3i7f h PHE 102 Cb 0.95 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.43 3i7f h PHE 102 CO 0.02 0.27 0.03 0.28 -2.02 0.00 0.00 178.31 176.88 3i7f h VAL 103 N -0.11 1.08 0.00 1.41 2.07 -1.01 -2.52 116.25 117.16 3i7f h VAL 103 Ca 0.02 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3i7f h VAL 103 Cb 0.22 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3i7f h VAL 103 CO -0.00 0.07 -0.09 0.06 0.02 0.00 0.00 177.57 177.63 3i7f h GLN 104 N -0.02 0.00 0.14 1.57 3.07 -1.26 -0.46 115.11 118.15 3i7f h GLN 104 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.75 3i7f h GLN 104 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.65 3i7f h GLN 104 CO -0.00 0.09 -0.07 0.35 0.09 0.00 0.00 178.83 179.29 3i7f h PHE 105 N 0.00 -0.17 -0.65 0.06 3.57 -1.21 -2.86 116.94 115.68 3i7f h PHE 105 Ca -0.00 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 3i7f h PHE 105 Cb 0.60 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 3i7f h PHE 105 CO 0.00 -0.06 0.08 0.00 -2.23 0.00 0.00 178.31 176.10 3i7f h GLN 107 N 1.01 0.00 -0.19 0.00 4.20 -1.14 -2.69 115.11 116.30 3i7f h GLN 107 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3i7f h GLN 107 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3i7f h GLN 107 CO 0.02 0.08 0.00 1.63 -0.67 0.00 0.00 178.83 179.89 3i7f n LYS 108 N -3.90 1.97 -2.19 1.46 5.02 -0.93 -4.92 118.16 114.67 3i7f n LYS 108 Ca -0.02 -1.45 -0.42 0.00 -2.02 0.00 0.00 58.31 54.39 3i7f n LYS 108 Cb 0.18 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 3i7f n LYS 108 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i7f s ILE 109 N -1.76 3.32 0.42 -0.18 1.01 -1.02 -4.80 121.20 118.20 3i7f s ILE 109 Ca 0.34 0.97 -0.22 0.00 0.00 0.00 0.00 60.65 61.75 3i7f s ILE 109 Cb 0.19 -3.62 -0.10 0.00 0.01 0.00 0.00 42.46 38.94 3i7f s ILE 109 CO 0.29 0.09 0.98 -0.94 0.00 0.00 0.00 174.94 175.35 3i7f s SER 110 N 0.95 6.86 0.31 3.58 1.04 -1.26 -4.90 113.70 120.28 3i7f s SER 110 Ca 0.63 1.79 -0.29 0.00 0.48 0.00 0.00 55.95 58.56 3i7f s SER 110 Cb -0.36 -2.55 -0.12 0.00 0.10 0.00 0.00 66.02 63.08 3i7f s SER 110 CO 0.32 -0.41 1.41 0.00 0.98 0.00 0.00 173.24 175.53 3i7f n ALA 111 N -0.47 1.64 -1.00 5.32 0.00 -1.26 -2.54 120.51 122.20 3i7f n ALA 111 Ca 0.07 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3i7f n ALA 111 Cb 0.53 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3i7f n ALA 111 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i7f n GLU 112 N 1.25 -0.04 -2.15 0.00 -0.58 0.87 -4.76 120.64 115.23 3i7f n GLU 112 Ca 0.07 0.01 -0.41 0.00 -0.42 0.00 0.00 57.16 56.41 3i7f n GLU 112 Cb 0.35 -2.90 -0.02 0.00 -0.57 0.00 0.00 31.44 28.30 3i7f n GLU 112 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3i7f s SER 113 N -2.31 6.81 -0.13 1.62 0.01 -1.05 -4.65 113.70 114.00 3i7f s SER 113 Ca 0.00 2.65 -0.21 0.00 1.31 0.00 0.00 55.95 59.70 3i7f s SER 113 Cb 0.00 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 3i7f s SER 113 CO 0.00 -0.50 0.61 -0.63 0.41 0.00 0.00 173.24 173.12 3i7f s ILE 114 N -1.15 5.08 0.11 1.44 1.01 -0.32 -0.85 121.20 126.52 3i7f s ILE 114 Ca 0.49 1.20 0.04 0.00 0.00 0.00 0.00 60.65 62.38 3i7f s ILE 114 Cb -0.39 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 3i7f s ILE 114 CO 0.52 0.22 -0.11 0.00 0.00 0.00 0.00 174.94 175.57 3i7f s ASP 116 N -2.52 5.29 -0.25 0.00 1.11 -0.12 -1.51 116.67 118.66 3i7f s ASP 116 Ca 0.07 -0.74 -0.04 0.00 0.18 0.00 0.00 52.55 52.01 3i7f s ASP 116 Cb -0.03 -1.92 0.00 0.00 1.07 0.00 0.00 42.92 42.05 3i7f s ASP 116 CO 0.01 -0.22 -0.00 -0.63 1.18 0.00 0.00 175.17 175.50 3i7f s ILE 117 N 1.52 3.49 -0.08 0.77 1.01 -0.62 -1.88 121.20 125.41 3i7f s ILE 117 Ca 0.02 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 3i7f s ILE 117 Cb -0.18 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 3i7f s ILE 117 CO 0.04 0.26 0.23 -0.89 0.00 0.00 0.00 174.94 174.58 3i7f s THR 118 N 1.46 5.35 0.15 2.92 2.01 -0.71 -1.46 115.64 125.36 3i7f s THR 118 Ca 0.04 0.42 -0.24 0.00 0.31 0.00 0.00 61.69 62.22 3i7f s THR 118 Cb -0.16 -3.51 0.08 0.00 0.01 0.00 0.00 72.50 68.93 3i7f s THR 118 CO -0.01 0.60 1.08 -0.83 -0.69 0.00 0.00 174.62 174.77 3i7f s GLY 119 N -1.02 0.03 -0.19 4.40 0.00 0.16 -0.99 107.32 109.71 3i7f s GLY 119 Ca 0.18 -0.20 -0.14 0.00 0.00 0.00 0.00 44.72 44.56 3i7f s GLY 119 CO 0.07 2.57 0.30 -0.42 0.00 0.00 0.00 173.10 175.63 3i7f s ILE 120 N -2.25 5.28 -0.28 0.90 1.09 -0.35 -0.23 121.20 125.35 3i7f s ILE 120 Ca 0.22 0.53 -0.29 0.00 -1.10 0.00 0.00 60.65 60.01 3i7f s ILE 120 Cb -0.02 -3.64 -0.01 0.00 -1.06 0.00 0.00 42.46 37.73 3i7f s ILE 120 CO 0.04 0.32 1.48 -0.69 -0.10 0.00 0.00 174.94 175.99 3i7f s VAL 121 N 0.93 3.88 0.06 2.92 1.01 -0.21 -1.52 120.40 127.47 3i7f s VAL 121 Ca 0.15 0.98 0.07 0.00 0.00 0.00 0.00 61.98 63.18 3i7f s VAL 121 Cb -0.14 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3i7f s VAL 121 CO 0.05 -0.44 -0.16 -0.54 0.00 0.00 0.00 175.10 174.02 3i7f s LYS 122 N 4.57 2.09 0.74 2.72 1.02 -0.28 0.21 119.74 130.81 3i7f s LYS 122 Ca 0.65 -0.99 -0.11 0.00 0.02 0.00 0.00 55.97 55.53 3i7f s LYS 122 Cb -0.20 -2.23 0.04 0.00 -0.52 0.00 0.00 37.83 34.92 3i7f s LYS 122 CO 0.28 0.53 1.08 0.00 -0.92 0.00 0.00 175.35 176.32 3i7f s ALA 123 N -1.01 2.40 -0.19 5.17 0.00 -1.26 -1.53 121.76 125.34 3i7f s ALA 123 Ca 0.16 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 3i7f s ALA 123 Cb -0.11 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 19.81 3i7f s ALA 123 CO 0.08 -1.55 -0.02 0.08 0.00 0.00 0.00 175.76 174.34 3i7f s VAL 124 N -2.86 0.98 0.48 0.00 1.01 -1.22 -4.75 120.40 114.04 3i7f s VAL 124 Ca 0.61 -0.70 0.14 0.00 0.00 0.00 0.00 61.98 62.03 3i7f s VAL 124 Cb -0.17 -1.28 0.23 0.00 0.00 0.00 0.00 36.38 35.16 3i7f s VAL 124 CO 0.54 -0.02 2.08 -0.33 0.00 0.00 0.00 175.10 177.36 3i7f h GLU 125 N 8.13 0.06 -5.03 2.72 5.08 -1.97 -3.39 114.58 120.18 3i7f h GLU 125 Ca -0.20 -0.01 -0.63 0.00 -1.00 0.00 0.00 59.36 57.52 3i7f h GLU 125 Cb 1.11 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 30.17 3i7f h GLU 125 CO 0.38 0.11 -0.55 0.15 -1.00 0.00 0.00 179.01 178.10 3i7f s LYS 126 N -4.94 3.92 0.66 2.33 1.02 -1.26 -5.08 119.74 116.39 3i7f s LYS 126 Ca -0.05 -0.35 -0.15 0.00 0.02 0.00 0.00 55.97 55.44 3i7f s LYS 126 Cb 0.17 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 3i7f s LYS 126 CO 0.69 -0.04 1.11 -1.25 -0.92 0.00 0.00 175.35 174.94 3i7f s PRO 127 N 1.29 2.77 -0.83 -1.68 0.04 -1.26 -4.97 135.00 130.36 3i7f s PRO 127 Ca 0.06 1.39 -0.09 0.00 0.04 0.00 0.00 61.00 62.40 3i7f s PRO 127 Cb -0.14 -1.95 0.21 0.00 0.04 0.00 0.00 34.50 32.66 3i7f s PRO 127 CO 0.06 -1.27 0.74 0.42 0.04 0.00 0.00 177.00 176.98 3i7f s ILE 128 N -2.35 5.04 0.54 0.56 1.01 0.33 -4.95 121.20 121.37 3i7f s ILE 128 Ca 0.67 -2.91 0.24 0.00 0.00 0.00 0.00 60.65 58.65 3i7f s ILE 128 Cb -0.21 -4.13 0.36 0.00 0.01 0.00 0.00 42.46 38.50 3i7f s ILE 128 CO 0.42 -1.02 2.05 1.05 0.00 0.00 0.00 174.94 177.44 3i7f h GLU 129 N 7.21 0.00 0.00 2.79 -0.00 -1.94 -1.89 114.58 120.76 3i7f h GLU 129 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.45 3i7f h GLU 129 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.72 3i7f h GLU 129 CO 0.79 0.00 0.00 0.87 -0.00 0.00 0.00 179.01 180.67 3i7f h LYS 130 N 0.00 0.00 -6.35 1.06 1.57 -1.98 -3.46 116.57 107.41 3i7f h LYS 130 Ca 0.16 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.41 3i7f h LYS 130 Cb 0.68 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3i7f h LYS 130 CO -0.00 0.00 -0.23 0.00 -0.57 0.00 0.00 179.45 178.65 3i7f s ALA 131 N -3.24 3.72 0.14 3.86 0.00 -0.71 -5.01 121.76 120.52 3i7f s ALA 131 Ca 0.07 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.28 3i7f s ALA 131 Cb 0.06 -2.17 -0.06 0.00 0.00 0.00 0.00 23.12 20.94 3i7f s ALA 131 CO 0.65 0.38 1.43 1.79 0.00 0.00 0.00 175.76 180.01 3i7f h THR 132 N 1.53 1.28 -1.90 0.00 1.35 -1.75 -3.36 112.91 110.06 3i7f h THR 132 Ca -0.48 -1.71 -0.65 0.00 -0.55 0.00 0.00 66.41 63.03 3i7f h THR 132 Cb 1.19 1.60 -0.14 0.00 -1.73 0.00 0.00 68.15 69.07 3i7f h THR 132 CO 0.68 0.56 1.09 -1.10 -0.25 0.00 0.00 175.52 176.49 3i7f s GLN 133 N -4.16 3.55 0.14 4.72 -1.52 -0.87 -4.86 119.66 116.65 3i7f s GLN 133 Ca -0.10 -1.39 0.20 0.00 -1.95 0.00 0.00 55.36 52.11 3i7f s GLN 133 Cb 0.10 -5.03 -0.06 0.00 -0.22 0.00 0.00 33.01 27.81 3i7f s GLN 133 CO 0.89 -1.96 0.94 1.04 -0.25 0.00 0.00 175.29 175.95 3i7f n GLN 134 N 7.66 0.61 -0.57 2.91 6.02 -1.26 -4.29 117.38 128.46 3i7f n GLN 134 Ca 0.25 0.16 0.08 0.00 -0.01 0.00 0.00 57.00 57.48 3i7f n GLN 134 Cb 0.50 -1.82 0.31 0.00 1.02 0.00 0.00 30.24 30.25 3i7f n GLN 134 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3i7f n ASP 135 N -2.76 4.48 -3.59 1.08 10.43 -1.26 -0.51 116.55 124.41 3i7f n ASP 135 Ca -0.04 -2.64 -0.15 0.00 2.57 0.00 0.00 54.79 54.53 3i7f n ASP 135 Cb 0.67 -0.54 -0.07 0.00 1.84 0.00 0.00 41.12 43.02 3i7f n ASP 135 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3i7f s VAL 136 N -2.18 0.00 0.07 2.53 1.01 -1.26 -3.39 120.40 117.17 3i7f s VAL 136 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3i7f s VAL 136 Cb 0.32 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 3i7f s VAL 136 CO 0.17 0.00 -0.05 -1.83 0.00 0.00 0.00 175.10 173.40 3i7f s GLU 137 N -0.18 0.67 -0.22 2.72 -1.05 -0.58 -4.65 118.70 115.41 3i7f s GLU 137 Ca -0.03 -1.20 -0.18 0.00 -0.15 0.00 0.00 54.97 53.40 3i7f s GLU 137 Cb -0.03 0.03 -0.03 0.00 -0.44 0.00 0.00 34.13 33.66 3i7f s GLU 137 CO 0.04 -0.07 0.51 0.42 0.95 0.00 0.00 175.26 177.11 3i7f s ILE 138 N -3.54 5.10 -0.38 1.83 1.01 -0.49 -1.13 121.20 123.60 3i7f s ILE 138 Ca 0.07 0.92 -0.21 0.00 0.00 0.00 0.00 60.65 61.42 3i7f s ILE 138 Cb 0.05 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.70 3i7f s ILE 138 CO -0.07 0.15 0.66 -1.00 0.00 0.00 0.00 174.94 174.68 3i7f s HIS 139 N 1.85 3.12 0.32 3.97 3.76 -0.58 0.57 115.29 128.30 3i7f s HIS 139 Ca 0.23 0.27 -0.28 0.00 -0.15 0.00 0.00 55.06 55.13 3i7f s HIS 139 Cb -0.15 -3.24 -0.09 0.00 1.11 0.00 0.00 32.58 30.20 3i7f s HIS 139 CO 0.09 -0.71 1.10 0.08 -0.85 0.00 0.00 174.74 174.45 3i7f s VAL 140 N 2.81 3.49 0.00 -0.90 1.01 -0.28 -1.21 120.40 125.32 3i7f s VAL 140 Ca 0.25 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.62 3i7f s VAL 140 Cb -0.14 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3i7f s VAL 140 CO 0.16 0.25 0.00 0.35 0.00 0.00 0.00 175.10 175.86 3i7f n THR 141 N 0.78 0.00 -3.53 3.92 -2.24 -0.16 -4.80 114.28 108.25 3i7f n THR 141 Ca 0.01 -0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 3i7f n THR 141 Cb 0.46 0.82 -0.05 0.00 -2.10 0.00 0.00 70.33 69.47 3i7f n THR 141 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3i7f s SER 142 N -1.28 -0.48 -0.00 3.42 0.15 -1.10 -4.95 113.70 109.46 3i7f s SER 142 Ca 0.00 0.41 -0.08 0.00 0.70 0.00 0.00 55.95 56.98 3i7f s SER 142 Cb 0.00 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 3i7f s SER 142 CO 0.00 -0.53 0.16 -0.51 1.20 0.00 0.00 173.24 173.56 3i7f s ILE 143 N -1.68 0.08 -0.13 6.45 2.07 0.47 -1.73 121.20 126.72 3i7f s ILE 143 Ca -0.04 -0.64 -0.04 0.00 -1.41 0.00 0.00 60.65 58.53 3i7f s ILE 143 Cb -0.00 -0.45 0.06 0.00 0.13 0.00 0.00 42.46 42.20 3i7f s ILE 143 CO 0.02 -0.35 0.19 0.00 -1.91 0.00 0.00 174.94 172.89 3i7f s ALA 144 N -1.33 -0.22 -0.23 1.50 0.00 -0.79 -2.66 121.76 118.04 3i7f s ALA 144 Ca -0.14 0.47 -0.28 0.00 0.00 0.00 0.00 51.96 52.01 3i7f s ALA 144 Cb -0.07 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 22.04 3i7f s ALA 144 CO 0.02 -0.81 0.99 0.08 0.00 0.00 0.00 175.76 176.04 3i7f s VAL 145 N 2.31 4.72 -0.10 0.00 1.01 0.38 -0.95 120.40 127.79 3i7f s VAL 145 Ca 0.04 1.92 -0.15 0.00 0.00 0.00 0.00 61.98 63.79 3i7f s VAL 145 Cb -0.13 -4.26 -0.28 0.00 0.00 0.00 0.00 36.38 31.71 3i7f s VAL 145 CO -0.08 -0.15 0.56 0.58 0.00 0.00 0.00 175.10 176.01 3i7f h VAL 146 N 5.43 0.99 -2.64 2.92 2.07 -1.38 -0.00 116.25 123.64 3i7f h VAL 146 Ca -0.20 -2.41 -0.33 0.00 0.82 0.00 0.00 66.70 64.58 3i7f h VAL 146 Cb 1.07 2.70 -0.36 0.00 -1.52 0.00 0.00 31.29 33.18 3i7f h VAL 146 CO 0.95 0.73 -0.64 -0.55 0.02 0.00 0.00 177.57 178.08 3i7f s SER 147 N -7.07 1.42 -0.10 0.57 0.15 -1.07 -4.76 113.70 102.84 3i7f s SER 147 Ca -0.20 -0.20 -0.25 0.00 0.70 0.00 0.00 55.95 56.00 3i7f s SER 147 Cb 0.05 0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 3i7f s SER 147 CO 0.78 -0.32 0.80 -0.22 1.20 0.00 0.00 173.24 175.47 3i7f s LEU 148 N 2.30 4.27 0.42 3.45 2.96 -1.26 -1.18 118.68 129.64 3i7f s LEU 148 Ca 0.06 1.25 -0.22 0.00 -0.22 0.00 0.00 54.13 55.00 3i7f s LEU 148 Cb -0.15 -3.22 -0.10 0.00 0.50 0.00 0.00 46.19 43.22 3i7f s LEU 148 CO -0.11 -0.25 1.00 0.00 -1.32 0.00 0.00 176.35 175.67 3i7f s ALA 149 N 1.38 3.04 0.92 5.97 0.00 -1.26 -4.98 121.76 126.82 3i7f s ALA 149 Ca 0.40 0.56 -0.12 0.00 0.00 0.00 0.00 51.96 52.80 3i7f s ALA 149 Cb -0.18 -3.22 0.14 0.00 0.00 0.00 0.00 23.12 19.87 3i7f s ALA 149 CO 0.17 -0.07 1.12 -1.21 0.00 0.00 0.00 175.76 175.78 3i7f s GLU 150 N -2.81 1.09 0.01 0.00 2.02 -1.26 -4.46 118.70 113.29 3i7f s GLU 150 Ca 0.60 0.38 -0.17 0.00 0.02 0.00 0.00 54.97 55.79 3i7f s GLU 150 Cb -0.16 -1.83 0.03 0.00 0.10 0.00 0.00 34.13 32.28 3i7f s GLU 150 CO 0.21 -2.25 0.38 1.52 0.02 0.00 0.00 175.26 175.14 3i7f s TYR 151 N -3.20 -0.25 0.36 1.61 1.13 -0.66 -4.61 117.35 111.74 3i7f s TYR 151 Ca 0.64 0.28 -0.11 0.00 -1.41 0.00 0.00 57.07 56.47 3i7f s TYR 151 Cb -0.16 0.17 -0.07 0.00 -1.10 0.00 0.00 41.96 40.81 3i7f s TYR 151 CO 0.54 -0.50 0.73 -1.25 -2.51 0.00 0.00 175.55 172.57 3i7f s PRO 152 N -1.96 3.84 0.60 -3.49 0.04 -1.26 -3.94 135.00 128.83 3i7f s PRO 152 Ca -0.09 0.49 -0.19 0.00 0.04 0.00 0.00 61.00 61.26 3i7f s PRO 152 Cb -0.02 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 3i7f s PRO 152 CO 0.01 0.06 1.20 -0.51 0.04 0.00 0.00 177.00 177.80 3i7f s LEU 153 N -3.50 3.65 0.44 -3.56 1.43 -1.26 -4.91 118.68 110.97 3i7f s LEU 153 Ca 0.51 2.36 0.18 0.00 -1.03 0.00 0.00 54.13 56.15 3i7f s LEU 153 Cb -0.10 -4.60 1.03 0.00 0.03 0.00 0.00 46.19 42.55 3i7f s LEU 153 CO 0.26 -1.60 1.95 1.55 0.23 0.00 0.00 176.35 178.74 3i7f h PRO 154 N 0.82 0.00 -3.30 1.29 0.13 -1.98 -3.45 132.00 125.51 3i7f h PRO 154 Ca -0.50 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.47 3i7f h PRO 154 Cb 1.29 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.18 3i7f h PRO 154 CO 0.55 0.23 -0.47 -1.64 -0.23 0.00 0.00 178.00 176.44 3i7f s MET 155 N -4.34 0.35 0.22 0.86 -1.94 -1.26 -5.09 119.30 108.09 3i7f s MET 155 Ca -0.03 0.04 -0.30 0.00 -1.71 0.00 0.00 55.69 53.69 3i7f s MET 155 Cb 0.14 0.16 -0.08 0.00 2.01 0.00 0.00 34.83 37.06 3i7f s MET 155 CO 0.67 -0.07 0.98 -0.65 -0.01 0.00 0.00 175.02 175.95 3i7f s GLN 156 N -0.45 4.78 0.09 2.03 -1.52 -1.26 -4.98 119.66 118.34 3i7f s GLN 156 Ca -0.05 1.54 -0.16 0.00 -1.95 0.00 0.00 55.36 54.74 3i7f s GLN 156 Cb -0.04 -3.29 -0.09 0.00 -0.22 0.00 0.00 33.01 29.38 3i7f s GLN 156 CO 0.01 0.39 1.43 0.82 -0.25 0.00 0.00 175.29 177.69 3i7f h ILE 157 N 3.36 1.30 -0.48 1.08 2.04 -1.96 -3.05 117.51 119.80 3i7f h ILE 157 Ca -0.45 -1.32 0.08 0.00 1.00 0.00 0.00 64.86 64.18 3i7f h ILE 157 Cb 1.20 1.57 -0.10 0.00 -0.74 0.00 0.00 36.82 38.76 3i7f h ILE 157 CO 0.69 0.42 -0.37 -0.08 0.00 0.00 0.00 178.15 178.80 3i7f h GLU 158 N 0.33 -0.24 -0.18 2.37 4.81 -1.97 -0.96 114.58 118.75 3i7f h GLU 158 Ca 0.05 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3i7f h GLU 158 Cb 0.73 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3i7f h GLU 158 CO 0.05 -0.16 0.00 -0.40 -0.73 0.00 0.00 179.01 177.77 3i7f n ASP 159 N -5.42 0.96 0.06 1.04 5.68 -1.22 -1.76 116.55 115.90 3i7f n ASP 159 Ca 0.02 -1.98 0.09 0.00 -0.50 0.00 0.00 54.79 52.41 3i7f n ASP 159 Cb 0.35 -0.12 -0.05 0.00 -1.14 0.00 0.00 41.12 40.16 3i7f n ASP 159 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3i7f n LEU 160 N 0.02 0.68 -0.42 -2.12 7.94 -0.42 -4.45 117.00 118.24 3i7f n LEU 160 Ca 0.06 0.27 0.10 0.00 -1.11 0.00 0.00 56.01 55.34 3i7f n LEU 160 Cb 0.15 -0.01 -0.02 0.00 0.53 0.00 0.00 43.42 44.08 3i7f n LEU 160 CO 0.04 -0.07 0.26 0.41 -1.11 0.00 0.00 177.39 176.92 3i7f n THR 161 N -2.65 0.00 -2.10 1.96 -1.04 -0.72 -4.99 114.28 104.74 3i7f n THR 161 Ca -0.03 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.05 61.32 3i7f n THR 161 Cb 0.63 1.22 -0.02 0.00 -1.82 0.00 0.00 70.33 70.33 3i7f n THR 161 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3i7f s PHE 162 N -2.41 3.03 0.45 -1.42 0.08 -1.20 -4.72 117.98 111.80 3i7f s PHE 162 Ca 0.16 1.39 -0.21 0.00 0.12 0.00 0.00 56.93 58.40 3i7f s PHE 162 Cb 0.17 -3.70 -0.10 0.00 -0.57 0.00 0.00 43.02 38.82 3i7f s PHE 162 CO 0.57 -1.92 0.98 -1.25 -0.10 0.00 0.00 175.22 173.50 3i7f s PRO 163 N -1.75 4.09 0.44 0.24 0.04 -1.26 -4.93 135.00 131.87 3i7f s PRO 163 Ca 0.49 1.22 0.28 0.00 0.04 0.00 0.00 61.00 63.04 3i7f s PRO 163 Cb -0.40 -2.18 1.36 0.00 0.04 0.00 0.00 34.50 33.32 3i7f s PRO 163 CO 0.53 -0.17 1.69 0.77 0.04 0.00 0.00 177.00 179.86 3i7f h SER 164 N 1.84 0.26 -0.69 6.66 0.02 -1.88 -2.42 113.55 117.34 3i7f h SER 164 Ca -0.49 0.10 0.08 0.00 -0.84 0.00 0.00 61.79 60.64 3i7f h SER 164 Cb 1.20 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.74 3i7f h SER 164 CO 0.60 -0.07 0.36 0.77 -1.14 0.00 0.00 176.83 177.35 3i7f h SER 165 N 0.17 0.49 -0.86 3.07 4.64 -1.92 1.08 113.55 120.21 3i7f h SER 165 Ca 0.73 0.05 0.14 0.00 -0.47 0.00 0.00 61.79 62.23 3i7f h SER 165 Cb 2.28 -0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 64.24 3i7f h SER 165 CO -0.31 0.29 0.47 0.58 -0.87 0.00 0.00 176.83 176.99 3i7f h VAL 166 N 0.63 0.78 0.00 0.95 2.07 -1.82 -1.24 116.25 117.61 3i7f h VAL 166 Ca 0.33 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.49 3i7f h VAL 166 Cb 0.31 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3i7f h VAL 166 CO -0.24 0.13 -0.59 -0.26 0.02 0.00 0.00 177.57 176.62 3i7f h PHE 167 N 0.69 0.00 0.29 1.57 0.04 0.33 -1.35 116.94 118.51 3i7f h PHE 167 Ca 0.46 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.21 3i7f h PHE 167 Cb 0.59 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 3i7f h PHE 167 CO -0.07 0.59 -0.14 0.87 -0.60 0.00 0.00 178.31 178.96 3i7f h LYS 168 N 0.00 -0.38 -0.05 1.51 6.56 0.13 -2.27 116.57 122.08 3i7f h LYS 168 Ca -0.01 0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.62 3i7f h LYS 168 Cb 1.27 0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 33.01 3i7f h LYS 168 CO 0.08 -0.05 0.07 1.57 -2.06 0.00 0.00 179.45 179.05 3i7f h LYS 169 N -0.74 0.00 0.36 3.15 5.09 -1.32 -2.13 116.57 120.99 3i7f h LYS 169 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.68 3i7f h LYS 169 Cb 0.50 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.83 3i7f h LYS 169 CO 0.07 0.00 -0.18 -0.56 -2.09 0.00 0.00 179.45 176.69 3i7f h GLN 170 N 0.00 -0.47 0.00 0.07 3.07 -1.13 -2.63 115.11 114.02 3i7f h GLN 170 Ca 0.03 0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.77 3i7f h GLN 170 Cb 0.16 0.11 -0.00 0.00 0.08 0.00 0.00 27.48 27.82 3i7f h GLN 170 CO -0.00 -0.27 -0.15 1.05 0.09 0.00 0.00 178.83 179.55 3i7f h GLU 171 N -1.11 0.00 0.02 0.06 4.11 -1.25 -2.32 114.58 114.09 3i7f h GLU 171 Ca -0.05 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.15 3i7f h GLU 171 Cb 0.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3i7f h GLU 171 CO 0.08 0.15 -1.16 1.05 0.07 0.00 0.00 179.01 179.20 3i7f h GLU 172 N 0.00 0.04 0.00 1.06 4.11 -1.52 -3.01 114.58 115.26 3i7f h GLU 172 Ca -0.00 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.36 3i7f h GLU 172 Cb 0.51 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3i7f h GLU 172 CO 0.02 0.95 -0.02 -0.44 0.07 0.00 0.00 179.01 179.59 3i7f h ASP 173 N 0.01 0.00 -0.42 3.06 5.19 -1.03 -2.26 116.42 120.98 3i7f h ASP 173 Ca -0.08 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.03 3i7f h ASP 173 Cb 1.84 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 41.24 3i7f h ASP 173 CO 0.13 0.02 -0.06 -0.38 -3.12 0.00 0.00 179.24 175.83 3i7f n ILE 174 N -3.36 3.08 0.07 0.35 -0.00 -1.05 -3.82 119.36 114.63 3i7f n ILE 174 Ca -0.02 -2.04 -0.02 0.00 -0.00 0.00 0.00 62.75 60.67 3i7f n ILE 174 Cb 0.12 -1.81 -0.06 0.00 -0.00 0.00 0.00 39.64 37.90 3i7f n ILE 174 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3i7f h ALA 175 N 2.89 0.60 0.00 -1.39 0.00 -1.60 -3.47 119.26 116.30 3i7f h ALA 175 Ca 0.26 -0.78 -0.56 0.00 0.00 0.00 0.00 54.91 53.84 3i7f h ALA 175 Cb 1.18 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 3i7f h ALA 175 CO 0.48 0.96 1.27 1.63 0.00 0.00 0.00 179.25 183.59 3i7f n LYS 176 N -3.14 0.00 -3.01 0.00 4.76 -1.25 -5.20 118.16 110.32 3i7f n LYS 176 Ca -0.04 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.25 3i7f n LYS 176 Cb 0.85 -1.27 -0.03 0.00 -1.84 0.00 0.00 35.03 32.75 3i7f n LYS 176 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 3i7f n VAL 177 N 5.84 -0.46 0.00 -0.18 0.24 -1.26 -5.07 118.33 117.44 3i7f n VAL 177 Ca 0.50 -2.35 0.00 0.00 -2.04 0.00 0.00 64.34 60.46 3i7f n VAL 177 Cb -0.01 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 3i7f n VAL 177 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3i7f n LYS 209 N 2.30 0.00 -3.42 7.34 4.81 -1.26 -5.29 118.16 122.65 3i7f n LYS 209 Ca 0.20 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.45 3i7f n LYS 209 Cb 0.55 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.50 3i7f n LYS 209 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i7f s ALA 210 N -2.77 -0.30 -0.88 3.14 0.00 -1.26 -5.06 121.76 114.63 3i7f s ALA 210 Ca 0.00 -0.46 -0.22 0.00 0.00 0.00 0.00 51.96 51.28 3i7f s ALA 210 Cb 0.00 -1.75 -0.13 0.00 0.00 0.00 0.00 23.12 21.23 3i7f s ALA 210 CO 0.00 -1.73 1.93 -1.13 0.00 0.00 0.00 175.76 174.84 3i7f n SER 211 N 5.25 2.72 -4.37 0.00 3.41 -1.26 -4.87 113.62 114.50 3i7f n SER 211 Ca -0.02 -2.69 -0.45 0.00 -0.26 0.00 0.00 58.87 55.45 3i7f n SER 211 Cb 0.46 -1.26 -0.06 0.00 -0.26 0.00 0.00 64.21 63.08 3i7f n SER 211 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7f s ALA 212 N 6.03 3.54 0.00 7.33 0.00 -1.26 -4.75 121.76 132.65 3i7f s ALA 212 Ca 0.59 -2.21 0.00 0.00 0.00 0.00 0.00 51.96 50.34 3i7f s ALA 212 Cb 0.11 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3i7f s ALA 212 CO 0.11 -1.95 0.00 0.00 0.00 0.00 0.00 175.76 173.92 3i7f n GLN 213 N 5.53 0.00 -0.52 0.00 0.00 -1.26 -5.16 117.38 115.96 3i7f n GLN 213 Ca -0.12 0.00 0.07 0.00 0.00 0.00 0.00 57.00 56.95 3i7f n GLN 213 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.65 3i7f n GLN 213 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 3i7f n LYS 214 N -0.50 -1.06 -4.36 2.61 3.00 -1.26 -5.01 118.16 111.57 3i7f n LYS 214 Ca 0.00 0.72 -0.21 0.00 -0.00 0.00 0.00 58.31 58.82 3i7f n LYS 214 Cb 0.00 -1.29 -0.11 0.00 0.00 0.00 0.00 35.03 33.64 3i7f n LYS 214 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3i7f s TYR 215 N -1.67 1.89 0.15 5.64 1.51 -1.26 -5.16 117.35 118.44 3i7f s TYR 215 Ca 0.00 -0.47 0.10 0.00 -1.01 0.00 0.00 57.07 55.68 3i7f s TYR 215 Cb 0.00 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.91 3i7f s TYR 215 CO 0.00 0.41 -0.23 0.54 -1.11 0.00 0.00 175.55 175.17 3i7f s VAL 216 N -2.40 2.02 0.19 0.71 0.11 -1.26 -5.00 120.40 114.77 3i7f s VAL 216 Ca 0.20 -1.80 0.09 0.00 -2.93 0.00 0.00 61.98 57.55 3i7f s VAL 216 Cb -0.04 -1.87 -0.04 0.00 -1.53 0.00 0.00 36.38 32.90 3i7f s VAL 216 CO 0.08 -0.10 -0.13 -1.59 -3.33 0.00 0.00 175.10 170.04 3i7f s LYS 217 N -2.33 1.94 0.46 1.54 -2.85 -1.26 -4.99 119.74 112.25 3i7f s LYS 217 Ca 0.14 -1.34 0.03 0.00 -1.00 0.00 0.00 55.97 53.80 3i7f s LYS 217 Cb -0.09 -2.08 0.01 0.00 -2.06 0.00 0.00 37.83 33.61 3i7f s LYS 217 CO 0.07 0.42 0.66 0.08 0.10 0.00 0.00 175.35 176.67 3i7f s VAL 218 N -1.74 3.34 0.30 1.79 1.01 -1.26 -5.08 120.40 118.77 3i7f s VAL 218 Ca 0.24 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 3i7f s VAL 218 Cb -0.08 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.03 3i7f s VAL 218 CO 0.14 -0.12 0.60 -0.55 0.00 0.00 0.00 175.10 175.17 3i7f s SER 219 N -4.31 6.50 0.00 3.32 0.15 -1.26 -4.84 113.70 113.26 3i7f s SER 219 Ca 0.52 0.85 0.00 0.00 0.70 0.00 0.00 55.95 58.02 3i7f s SER 219 Cb -0.10 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 3i7f s SER 219 CO 0.36 -0.21 0.58 0.00 1.20 0.00 0.00 173.24 175.17 3i7f n GLN 220 N -0.83 0.00 -0.09 5.44 6.02 -1.26 -0.31 117.38 126.36 3i7f n GLN 220 Ca -0.00 0.13 -0.14 0.00 -0.01 0.00 0.00 57.00 56.98 3i7f n GLN 220 Cb 0.54 -1.81 -0.14 0.00 1.02 0.00 0.00 30.24 29.85 3i7f n GLN 220 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3i7f n ASP 221 N -1.08 1.04 0.23 1.08 10.43 -1.26 -1.84 116.55 125.14 3i7f n ASP 221 Ca 0.00 0.03 0.06 0.00 2.57 0.00 0.00 54.79 57.44 3i7f n ASP 221 Cb 0.31 0.16 0.52 0.00 1.84 0.00 0.00 41.12 43.95 3i7f n ASP 221 CO 0.00 0.00 0.00 0.74 -1.07 0.00 0.00 177.20 176.87 3i7f h THR 222 N 0.01 1.11 0.05 -3.53 2.02 -1.02 0.58 112.91 112.13 3i7f h THR 222 Ca -0.51 -0.57 -0.27 0.00 0.77 0.00 0.00 66.41 65.82 3i7f h THR 222 Cb 2.07 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 69.77 3i7f h THR 222 CO 0.00 0.16 -1.41 0.03 0.37 0.00 0.00 175.52 174.68 3i7f h ARG 223 N 0.00 0.10 -0.10 6.66 -0.00 -1.69 -3.23 114.38 116.14 3i7f h ARG 223 Ca -0.00 -0.18 -0.21 0.00 -0.50 0.00 0.00 59.98 59.09 3i7f h ARG 223 Cb 0.30 0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.34 3i7f h ARG 223 CO 0.02 0.92 -0.79 1.25 0.00 0.00 0.00 179.97 181.37 3i7f h LEU 224 N 0.03 0.69 -1.11 3.04 6.46 -0.92 -1.31 115.31 122.19 3i7f h LEU 224 Ca -0.18 -0.47 0.00 0.00 -0.12 0.00 0.00 57.88 57.12 3i7f h LEU 224 Cb 1.93 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 41.66 3i7f h LEU 224 CO 0.13 1.24 0.00 0.44 -0.62 0.00 0.00 178.44 179.63 3i7f h ASP 225 N 0.38 0.00 -1.32 1.25 3.32 -0.01 -2.91 116.42 117.13 3i7f h ASP 225 Ca -0.05 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.47 3i7f h ASP 225 Cb 1.39 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 40.53 3i7f h ASP 225 CO 0.15 0.00 -0.84 0.59 -1.72 0.00 0.00 179.24 177.41 3i7f n ASN 226 N -2.64 3.99 -0.27 6.45 3.02 -1.10 -4.95 115.26 119.77 3i7f n ASN 226 Ca 0.01 -3.48 0.06 0.00 -0.03 0.00 0.00 54.58 51.15 3i7f n ASN 226 Cb 0.26 -0.46 0.20 0.00 -0.61 0.00 0.00 39.78 39.16 3i7f n ASN 226 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3i7f h ARG 227 N 2.63 0.49 -0.08 3.52 9.65 -1.03 -0.54 114.38 129.02 3i7f h ARG 227 Ca 0.21 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 59.04 3i7f h ARG 227 Cb 1.04 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.50 3i7f h ARG 227 CO 0.75 0.32 -0.08 0.00 2.80 0.00 0.00 179.97 183.76 3i7f h MET 228 N 0.50 0.12 -0.21 0.20 -0.00 -1.89 -0.29 114.93 113.36 3i7f h MET 228 Ca 0.43 -0.02 -0.19 0.00 -0.00 0.00 0.00 59.70 59.93 3i7f h MET 228 Cb 0.65 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.23 3i7f h MET 228 CO -0.39 0.22 -0.60 1.25 -0.00 0.00 0.00 176.91 177.38 3i7f h LEU 229 N 0.12 0.90 -0.99 -0.10 6.46 -1.47 -3.18 115.31 117.05 3i7f h LEU 229 Ca 0.03 -0.58 -0.01 0.00 -0.12 0.00 0.00 57.88 57.19 3i7f h LEU 229 Cb 0.23 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 3i7f h LEU 229 CO 0.01 1.32 0.48 -0.78 -0.62 0.00 0.00 178.44 178.86 3i7f h ASP 230 N 0.52 1.06 0.67 1.25 3.58 -0.63 -2.74 116.42 120.13 3i7f h ASP 230 Ca -0.02 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.35 3i7f h ASP 230 Cb 1.22 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.01 3i7f h ASP 230 CO 0.13 0.84 0.00 0.18 -2.88 0.00 0.00 179.24 177.51 3i7f n LEU 231 N -4.34 0.66 0.17 2.28 4.77 -0.23 -2.22 117.00 118.09 3i7f n LEU 231 Ca 0.09 0.67 0.14 0.00 -0.03 0.00 0.00 56.01 56.88 3i7f n LEU 231 Cb 0.09 -0.60 0.48 0.00 -2.33 0.00 0.00 43.42 41.06 3i7f n LEU 231 CO 0.38 -0.59 0.89 0.03 -1.33 0.00 0.00 177.39 176.77 3i7f h ARG 232 N 0.00 0.00 -6.99 3.23 3.08 -1.53 -3.21 114.38 108.96 3i7f h ARG 232 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3i7f h ARG 232 Cb 0.33 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.52 3i7f h ARG 232 CO 0.00 0.00 0.61 0.25 -1.07 0.00 0.00 179.97 179.76 3i7f n THR 233 N -2.56 3.28 -0.17 2.04 -2.24 -0.94 -4.78 114.28 108.91 3i7f n THR 233 Ca 0.03 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.29 3i7f n THR 233 Cb 0.33 -1.71 0.22 0.00 -2.10 0.00 0.00 70.33 67.07 3i7f n THR 233 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3i7f h VAL 234 N 1.82 1.21 -0.07 2.28 -1.51 -1.88 -1.54 116.25 116.56 3i7f h VAL 234 Ca -0.50 -0.61 0.04 0.00 -1.23 0.00 0.00 66.70 64.39 3i7f h VAL 234 Cb 1.29 0.42 -0.04 0.00 -2.13 0.00 0.00 31.29 30.83 3i7f h VAL 234 CO 0.59 0.25 -0.18 0.74 -1.23 0.00 0.00 177.57 177.74 3i7f h THR 235 N 0.89 0.55 -0.05 7.19 2.02 -1.89 -0.93 112.91 120.69 3i7f h THR 235 Ca 0.22 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.40 3i7f h THR 235 Cb 0.11 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3i7f h THR 235 CO -0.03 0.00 0.03 0.78 0.37 0.00 0.00 175.52 176.67 3i7f h ASN 236 N -0.26 0.07 -0.76 4.18 2.35 -1.68 0.22 115.58 119.70 3i7f h ASN 236 Ca 0.08 -0.09 0.08 0.00 -0.55 0.00 0.00 56.30 55.81 3i7f h ASN 236 Cb 0.37 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.67 3i7f h ASN 236 CO -0.22 0.14 0.50 0.16 -1.65 0.00 0.00 177.43 176.36 3i7f h ILE 237 N -0.01 0.99 -0.38 2.81 -0.00 -1.24 -1.14 117.51 118.55 3i7f h ILE 237 Ca 0.02 -0.26 -0.10 0.00 -0.00 0.00 0.00 64.86 64.52 3i7f h ILE 237 Cb 0.09 0.17 -0.01 0.00 -0.00 0.00 0.00 36.82 37.06 3i7f h ILE 237 CO -0.00 0.14 -0.15 0.00 -0.00 0.00 0.00 178.15 178.14 3i7f h ALA 238 N 1.60 0.53 -0.97 0.16 0.00 -0.47 -2.79 119.26 117.32 3i7f h ALA 238 Ca 0.34 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3i7f h ALA 238 Cb 0.33 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3i7f h ALA 238 CO -0.12 0.44 0.62 0.82 0.00 0.00 0.00 179.25 181.02 3i7f h ILE 239 N 0.58 1.09 0.00 0.00 2.04 0.61 -2.61 117.51 119.22 3i7f h ILE 239 Ca 0.09 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3i7f h ILE 239 Cb 0.68 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3i7f h ILE 239 CO 0.05 0.21 -0.36 0.49 0.00 0.00 0.00 178.15 178.54 3i7f n PHE 240 N -4.52 0.49 0.01 1.37 3.72 -0.75 -1.89 117.46 115.90 3i7f n PHE 240 Ca 0.15 0.14 -0.12 0.00 -0.05 0.00 0.00 57.45 57.57 3i7f n PHE 240 Cb 0.17 -0.65 0.01 0.00 -0.94 0.00 0.00 39.48 38.07 3i7f n PHE 240 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i7f h ARG 241 N 0.00 0.57 -0.02 -1.08 3.08 -1.21 -1.49 114.38 114.22 3i7f h ARG 241 Ca 0.00 -0.43 -0.18 0.00 0.07 0.00 0.00 59.98 59.44 3i7f h ARG 241 Cb 0.67 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 3i7f h ARG 241 CO 0.00 1.06 -0.77 0.82 -1.07 0.00 0.00 179.97 180.01 3i7f h ILE 242 N 0.40 1.46 -0.45 2.04 2.04 -1.19 0.23 117.51 122.04 3i7f h ILE 242 Ca -0.02 -2.38 -0.04 0.00 1.00 0.00 0.00 64.86 63.42 3i7f h ILE 242 Cb 1.27 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 39.62 3i7f h ILE 242 CO 0.13 0.69 0.13 -0.61 0.00 0.00 0.00 178.15 178.50 3i7f h GLN 243 N 0.13 0.71 -0.77 2.37 4.15 -1.41 -1.55 115.11 118.74 3i7f h GLN 243 Ca -0.03 -0.16 0.06 0.00 0.77 0.00 0.00 58.65 59.29 3i7f h GLN 243 Cb 1.35 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.89 3i7f h GLN 243 CO 0.12 0.69 0.50 1.03 -1.93 0.00 0.00 178.83 179.24 3i7f h SER 244 N 0.59 0.74 -0.27 -0.69 0.87 -0.97 -2.48 113.55 111.35 3i7f h SER 244 Ca 0.14 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 3i7f h SER 244 Cb 0.28 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3i7f h SER 244 CO -0.00 0.49 0.07 0.00 -0.53 0.00 0.00 176.83 176.85 3i7f h ALA 245 N 1.58 0.35 -0.78 6.23 0.00 -0.07 -1.36 119.26 125.22 3i7f h ALA 245 Ca 0.32 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.15 3i7f h ALA 245 Cb 0.19 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 3i7f h ALA 245 CO -0.11 0.01 0.45 0.00 0.00 0.00 0.00 179.25 179.59 3i7f h GLY 248 N 0.41 0.51 1.07 0.00 0.00 -0.73 -1.82 103.07 102.50 3i7f h GLY 248 Ca 0.10 -0.55 -0.12 0.00 0.00 0.00 0.00 47.33 46.76 3i7f h GLY 248 CO 0.01 0.50 -0.18 1.41 0.00 0.00 0.00 176.54 178.27 3i7f h LEU 249 N 0.11 0.95 -0.70 3.11 3.38 -1.09 0.41 115.31 121.48 3i7f h LEU 249 Ca 0.02 -0.39 0.11 0.00 0.09 0.00 0.00 57.88 57.71 3i7f h LEU 249 Cb 0.80 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 3i7f h LEU 249 CO 0.06 1.13 0.30 0.15 0.09 0.00 0.00 178.44 180.16 3i7f h PHE 250 N 0.77 0.52 -0.10 1.13 3.57 -1.26 0.20 116.94 121.77 3i7f h PHE 250 Ca 0.11 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 3i7f h PHE 250 Cb 0.75 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 3i7f h PHE 250 CO 0.05 0.13 -0.12 0.00 -2.23 0.00 0.00 178.31 176.14 3i7f h ARG 251 N 0.49 0.26 -0.69 1.11 3.08 -0.78 -2.94 114.38 114.91 3i7f h ARG 251 Ca 0.36 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 3i7f h ARG 251 Cb 0.47 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3i7f h ARG 251 CO -0.33 0.69 0.40 1.49 -1.07 0.00 0.00 179.97 181.15 3i7f h GLU 252 N -0.17 0.94 -0.07 0.04 4.81 0.22 -1.29 114.58 119.07 3i7f h GLU 252 Ca 0.01 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 3i7f h GLU 252 Cb 0.66 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 3i7f h GLU 252 CO 0.03 0.68 -0.07 0.35 -0.73 0.00 0.00 179.01 179.27 3i7f h PHE 253 N 0.94 0.20 -0.25 0.92 3.57 -0.69 -1.66 116.94 119.96 3i7f h PHE 253 Ca 0.24 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 3i7f h PHE 253 Cb -0.01 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3i7f h PHE 253 CO -0.01 0.61 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.50 3i7f h LEU 254 N -0.28 0.39 -0.74 0.59 3.38 -1.50 -2.26 115.31 114.91 3i7f h LEU 254 Ca 0.01 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 3i7f h LEU 254 Cb 0.58 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3i7f h LEU 254 CO 0.02 0.54 -0.17 0.74 0.09 0.00 0.00 178.44 179.66 3i7f h THR 255 N 0.39 1.27 0.00 0.22 2.02 -1.14 -1.69 112.91 113.97 3i7f h THR 255 Ca 0.08 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 65.98 3i7f h THR 255 Cb 0.44 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3i7f h THR 255 CO 0.02 0.43 -0.05 0.77 0.37 0.00 0.00 175.52 177.07 3i7f h SER 256 N 0.70 0.00 -0.44 4.18 4.64 -0.72 -0.57 113.55 121.34 3i7f h SER 256 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3i7f h SER 256 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3i7f h SER 256 CO 0.05 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 3i7f n GLN 257 N -3.29 2.61 -2.63 4.77 1.13 -0.83 -4.94 117.38 114.20 3i7f n GLN 257 Ca -0.01 -1.82 -0.19 0.00 -1.94 0.00 0.00 57.00 53.04 3i7f n GLN 257 Cb 0.21 -1.60 0.01 0.00 0.11 0.00 0.00 30.24 28.97 3i7f n GLN 257 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3i7f n LYS 258 N 0.71 -2.88 -1.92 -1.09 4.76 -0.22 -5.00 118.16 112.52 3i7f n LYS 258 Ca 0.17 0.83 -0.32 0.00 -2.87 0.00 0.00 58.31 56.12 3i7f n LYS 258 Cb 0.57 -5.39 0.02 0.00 -1.84 0.00 0.00 35.03 28.39 3i7f n LYS 258 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3i7f s PHE 259 N -3.00 3.09 -0.13 2.13 0.40 -0.70 -4.83 117.98 114.93 3i7f s PHE 259 Ca 0.13 1.47 0.00 0.00 -0.60 0.00 0.00 56.93 57.94 3i7f s PHE 259 Cb -0.06 -2.94 -0.01 0.00 0.51 0.00 0.00 43.02 40.52 3i7f s PHE 259 CO 0.17 -1.07 -0.15 0.08 0.70 0.00 0.00 175.22 174.94 3i7f s VAL 260 N -2.68 2.86 0.07 -0.44 1.01 -0.06 -4.67 120.40 116.49 3i7f s VAL 260 Ca 0.61 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 61.58 3i7f s VAL 260 Cb -0.15 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 3i7f s VAL 260 CO 0.43 0.52 0.90 -0.70 0.00 0.00 0.00 175.10 176.25 3i7f s GLU 261 N 0.48 4.61 0.21 2.72 2.12 -1.26 -2.12 118.70 125.47 3i7f s GLU 261 Ca -0.10 1.32 0.06 0.00 0.36 0.00 0.00 54.97 56.61 3i7f s GLU 261 Cb -0.16 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 3i7f s GLU 261 CO 0.05 0.18 -0.10 0.96 -0.54 0.00 0.00 175.26 175.80 3i7f s ILE 262 N 0.20 1.51 -0.22 -3.70 -4.36 -0.64 -4.93 121.20 109.06 3i7f s ILE 262 Ca 0.45 -2.14 -0.03 0.00 -0.26 0.00 0.00 60.65 58.67 3i7f s ILE 262 Cb -0.22 -2.12 0.07 0.00 1.25 0.00 0.00 42.46 41.44 3i7f s ILE 262 CO 0.27 -0.53 0.07 -1.00 0.24 0.00 0.00 174.94 173.98 3i7f s HIS 263 N -3.12 0.85 0.15 1.37 3.76 -1.26 -4.53 115.29 112.51 3i7f s HIS 263 Ca 0.23 -0.86 0.03 0.00 -0.15 0.00 0.00 55.06 54.32 3i7f s HIS 263 Cb 0.02 -1.03 -0.04 0.00 1.11 0.00 0.00 32.58 32.65 3i7f s HIS 263 CO 0.07 -0.65 0.25 0.95 -0.85 0.00 0.00 174.74 174.50 3i7f s THR 264 N 1.92 5.15 0.37 1.30 -4.23 -1.26 -5.06 115.64 113.83 3i7f s THR 264 Ca 0.02 -0.76 -0.27 0.00 -1.18 0.00 0.00 61.69 59.50 3i7f s THR 264 Cb -0.17 -3.64 -0.10 0.00 1.34 0.00 0.00 72.50 69.93 3i7f s THR 264 CO -0.14 -0.08 1.35 -2.16 -0.54 0.00 0.00 174.62 173.05 3i7f s PRO 265 N -3.17 4.14 -0.15 3.99 0.04 -1.26 -4.94 135.00 133.65 3i7f s PRO 265 Ca 0.34 2.29 0.17 0.00 0.04 0.00 0.00 61.00 63.83 3i7f s PRO 265 Cb -0.11 -2.92 -0.25 0.00 0.04 0.00 0.00 34.50 31.26 3i7f s PRO 265 CO 0.27 -0.40 0.25 1.63 0.04 0.00 0.00 177.00 178.80 3i7f n LYS 266 N 0.45 0.67 -2.55 4.56 4.76 -1.26 -4.67 118.16 120.13 3i7f n LYS 266 Ca 0.02 0.06 -0.42 0.00 -2.87 0.00 0.00 58.31 55.09 3i7f n LYS 266 Cb 0.42 -1.59 -0.01 0.00 -1.84 0.00 0.00 35.03 32.01 3i7f n LYS 266 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3i7f s LEU 267 N -5.58 3.77 0.00 -0.35 1.43 -1.26 -0.57 118.68 116.12 3i7f s LEU 267 Ca -0.08 -2.33 0.28 0.00 -1.03 0.00 0.00 54.13 50.97 3i7f s LEU 267 Cb 0.07 -2.58 1.07 0.00 0.03 0.00 0.00 46.19 44.78 3i7f s LEU 267 CO 0.83 -1.30 1.76 -0.38 0.23 0.00 0.00 176.35 177.49 3i7f n ILE 268 N 6.52 0.00 -3.82 -0.59 5.41 -1.26 -4.80 119.36 120.81 3i7f n ILE 268 Ca 0.48 -0.15 -0.36 0.00 1.00 0.00 0.00 62.75 63.72 3i7f n ILE 268 Cb 0.46 0.26 -0.13 0.00 -0.71 0.00 0.00 39.64 39.52 3i7f n ILE 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i7f s ALA 288 N -2.25 2.99 0.50 -1.39 0.00 -1.26 -4.58 121.76 115.78 3i7f s ALA 288 Ca 0.33 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 51.19 3i7f s ALA 288 Cb 0.20 -1.91 0.04 0.00 0.00 0.00 0.00 23.12 21.45 3i7f s ALA 288 CO 0.42 -0.50 0.60 0.71 0.00 0.00 0.00 175.76 176.99 3i7f s TYR 289 N 1.54 2.04 0.49 0.00 1.51 -1.26 -5.12 117.35 116.55 3i7f s TYR 289 Ca 0.06 -0.62 -0.02 0.00 -1.01 0.00 0.00 57.07 55.48 3i7f s TYR 289 Cb -0.15 -2.20 -0.00 0.00 -0.11 0.00 0.00 41.96 39.50 3i7f s TYR 289 CO 0.00 -0.67 0.74 -0.51 -1.11 0.00 0.00 175.55 174.01 3i7f s LEU 290 N -4.42 3.53 -0.73 -1.29 1.43 -1.26 -4.28 118.68 111.66 3i7f s LEU 290 Ca 0.53 0.46 -0.25 0.00 -1.03 0.00 0.00 54.13 53.84 3i7f s LEU 290 Cb -0.06 -3.33 0.05 0.00 0.03 0.00 0.00 46.19 42.88 3i7f s LEU 290 CO 0.32 -0.79 1.17 0.00 0.23 0.00 0.00 176.35 177.28 3i7f s ALA 291 N -2.69 2.90 0.06 4.21 0.00 0.27 -4.63 121.76 121.87 3i7f s ALA 291 Ca 0.50 -1.61 -0.28 0.00 0.00 0.00 0.00 51.96 50.56 3i7f s ALA 291 Cb -0.10 -4.12 -0.15 0.00 0.00 0.00 0.00 23.12 18.76 3i7f s ALA 291 CO 0.40 -3.11 1.43 0.37 0.00 0.00 0.00 175.76 174.86 3i7f h GLN 292 N 9.82 -0.87 -5.23 0.00 -0.00 -1.91 -3.27 115.11 113.65 3i7f h GLN 292 Ca -0.25 0.06 -0.67 0.00 -0.00 0.00 0.00 58.65 57.79 3i7f h GLN 292 Cb 1.06 0.20 -0.33 0.00 0.00 0.00 0.00 27.48 28.40 3i7f h GLN 292 CO 1.25 -0.58 -0.87 -1.12 0.00 0.00 0.00 178.83 177.50 3i7f s SER 293 N -3.70 3.01 0.00 -0.69 0.01 -1.26 -3.11 113.70 107.96 3i7f s SER 293 Ca -0.14 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.56 3i7f s SER 293 Cb 0.02 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.87 3i7f s SER 293 CO 0.46 0.12 0.27 -0.81 0.41 0.00 0.00 173.24 173.69 3i7f n PRO 294 N 3.75 0.42 0.10 12.44 -0.04 -1.26 -4.09 135.00 146.32 3i7f n PRO 294 Ca -0.20 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.13 3i7f n PRO 294 Cb 0.52 -1.15 -0.08 0.00 -0.04 0.00 0.00 33.50 32.75 3i7f n PRO 294 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3i7f h GLN 295 N 0.41 -0.22 -0.52 0.54 5.75 -1.98 -2.60 115.11 116.48 3i7f h GLN 295 Ca 0.00 0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.62 3i7f h GLN 295 Cb 0.15 0.05 -0.10 0.00 1.07 0.00 0.00 27.48 28.65 3i7f h GLN 295 CO 0.00 0.03 -0.10 -0.07 -2.65 0.00 0.00 178.83 176.03 3i7f h LEU 296 N -0.44 -0.43 -0.38 -2.39 4.07 -2.01 -1.56 115.31 112.16 3i7f h LEU 296 Ca -0.02 0.15 -0.18 0.00 0.08 0.00 0.00 57.88 57.90 3i7f h LEU 296 Cb 0.34 0.30 -0.00 0.00 1.08 0.00 0.00 40.66 42.39 3i7f h LEU 296 CO 0.04 -0.16 -0.64 1.88 -1.08 0.00 0.00 178.44 178.48 3i7f h TYR 297 N 0.02 0.81 -0.67 1.13 0.05 -1.88 -2.32 116.97 114.10 3i7f h TYR 297 Ca 0.26 -0.32 0.15 0.00 0.05 0.00 0.00 58.73 58.86 3i7f h TYR 297 Cb 0.39 -0.14 -0.11 0.00 1.01 0.00 0.00 36.73 37.88 3i7f h TYR 297 CO -0.42 1.09 0.02 0.87 -1.05 0.00 0.00 178.16 178.67 3i7f h LYS 298 N 0.45 0.12 -0.46 4.88 6.56 -0.98 0.11 116.57 127.26 3i7f h LYS 298 Ca -0.01 -0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 59.50 3i7f h LYS 298 Cb 1.22 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.83 3i7f h LYS 298 CO 0.12 0.08 0.00 1.96 -2.06 0.00 0.00 179.45 179.56 3i7f h GLN 299 N 0.13 0.76 0.00 3.15 4.20 -1.03 -2.60 115.11 119.72 3i7f h GLN 299 Ca 0.36 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 3i7f h GLN 299 Cb 0.60 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3i7f h GLN 299 CO -0.57 0.77 -0.43 0.52 -0.67 0.00 0.00 178.83 178.45 3i7f h MET 300 N 0.71 0.00 -0.43 1.46 2.86 -0.68 -1.93 114.93 116.93 3i7f h MET 300 Ca 0.14 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.70 3i7f h MET 300 Cb 0.44 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3i7f h MET 300 CO 0.02 0.43 -0.08 0.00 1.06 0.00 0.00 176.91 178.34 3i7f h ALA 301 N 1.57 1.05 -0.20 6.32 0.00 -0.45 -2.18 119.26 125.38 3i7f h ALA 301 Ca -0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 3i7f h ALA 301 Cb 0.86 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3i7f h ALA 301 CO 0.06 0.58 -0.54 0.82 0.00 0.00 0.00 179.25 180.17 3i7f h ILE 302 N 0.69 1.32 0.00 0.00 1.08 -1.19 -1.66 117.51 117.75 3i7f h ILE 302 Ca 0.12 -1.77 0.00 0.00 -0.39 0.00 0.00 64.86 62.82 3i7f h ILE 302 Cb 0.54 1.74 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 3i7f h ILE 302 CO 0.03 0.55 0.00 0.23 -0.69 0.00 0.00 178.15 178.28 3i7f n MET 303 N -3.97 0.13 -0.92 2.37 2.81 -0.78 -1.51 117.12 115.26 3i7f n MET 303 Ca -0.03 0.18 0.03 0.00 -1.81 0.00 0.00 57.70 56.08 3i7f n MET 303 Cb 0.60 -1.50 0.37 0.00 -0.71 0.00 0.00 33.22 31.98 3i7f n MET 303 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i7f n GLY 304 N 0.03 3.12 2.39 3.03 0.00 -0.64 -4.95 105.19 108.18 3i7f n GLY 304 Ca 0.06 -0.92 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 3i7f n GLY 304 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i7f n ASP 305 N 0.42 -5.23 0.21 1.61 10.43 -0.57 -4.90 116.55 118.53 3i7f n ASP 305 Ca 0.31 0.11 0.14 0.00 2.57 0.00 0.00 54.79 57.91 3i7f n ASP 305 Cb 1.23 -4.31 0.37 0.00 1.84 0.00 0.00 41.12 40.26 3i7f n ASP 305 CO 0.00 0.00 0.00 -0.26 -1.07 0.00 0.00 177.20 175.87 3i7f h PHE 306 N 0.00 0.00 0.00 1.24 -1.00 -1.65 -3.47 116.94 112.06 3i7f h PHE 306 Ca -0.41 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.37 3i7f h PHE 306 Cb 1.28 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.84 3i7f h PHE 306 CO 0.49 0.00 0.00 -2.13 -1.61 0.00 0.00 178.31 175.06 3i7f n ARG 307 N -2.87 0.00 -3.58 1.51 0.63 -1.26 -4.63 116.66 106.45 3i7f n ARG 307 Ca 0.03 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.84 3i7f n ARG 307 Cb 0.43 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.22 3i7f n ARG 307 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3i7f s LYS 308 N 0.00 0.22 0.08 -0.14 1.02 -1.26 -0.45 119.74 119.21 3i7f s LYS 308 Ca 0.00 0.68 0.03 0.00 0.02 0.00 0.00 55.97 56.70 3i7f s LYS 308 Cb 0.00 -0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.05 3i7f s LYS 308 CO 0.00 -0.40 -0.09 0.14 -0.92 0.00 0.00 175.35 174.08 3i7f s VAL 309 N 2.47 0.78 0.04 3.17 -7.23 0.24 -0.88 120.40 119.00 3i7f s VAL 309 Ca 0.04 -1.58 -0.01 0.00 -1.81 0.00 0.00 61.98 58.61 3i7f s VAL 309 Cb -0.13 -1.26 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 3i7f s VAL 309 CO -0.11 -0.59 -0.01 0.72 -0.31 0.00 0.00 175.10 174.79 3i7f s PHE 310 N -2.48 0.42 -0.03 2.82 -0.12 -0.90 -1.06 117.98 116.64 3i7f s PHE 310 Ca 0.03 -0.88 0.01 0.00 -0.05 0.00 0.00 56.93 56.04 3i7f s PHE 310 Cb -0.03 -0.31 0.02 0.00 -0.63 0.00 0.00 43.02 42.07 3i7f s PHE 310 CO -0.01 -0.34 -0.01 -2.00 -0.05 0.00 0.00 175.22 172.81 3i7f s GLU 311 N -3.23 0.35 -0.33 1.99 2.12 0.03 -1.62 118.70 118.01 3i7f s GLU 311 Ca 0.01 0.02 -0.04 0.00 0.36 0.00 0.00 54.97 55.32 3i7f s GLU 311 Cb 0.03 -0.48 0.06 0.00 0.26 0.00 0.00 34.13 34.00 3i7f s GLU 311 CO -0.07 -0.09 0.07 0.08 -0.54 0.00 0.00 175.26 174.71 3i7f s VAL 312 N 0.80 3.34 0.37 3.70 1.01 -1.26 -0.86 120.40 127.50 3i7f s VAL 312 Ca -0.08 -1.40 -0.16 0.00 0.00 0.00 0.00 61.98 60.34 3i7f s VAL 312 Cb -0.12 -2.97 0.06 0.00 0.00 0.00 0.00 36.38 33.35 3i7f s VAL 312 CO -0.01 -0.23 0.80 -0.83 0.00 0.00 0.00 175.10 174.83 3i7f s GLY 313 N 1.42 0.34 0.33 4.51 0.00 -0.89 -5.00 107.32 108.03 3i7f s GLY 313 Ca -0.02 -0.71 -0.26 0.00 0.00 0.00 0.00 44.72 43.74 3i7f s GLY 313 CO -0.00 -0.13 0.97 2.56 0.00 0.00 0.00 173.10 176.50 3i7f s PRO 314 N -2.35 4.51 -0.05 2.90 0.04 -1.26 0.33 135.00 139.12 3i7f s PRO 314 Ca 0.16 1.38 0.04 0.00 0.04 0.00 0.00 61.00 62.62 3i7f s PRO 314 Cb -0.05 -2.77 -0.00 0.00 0.04 0.00 0.00 34.50 31.72 3i7f s PRO 314 CO 0.11 0.20 -0.17 0.08 0.04 0.00 0.00 177.00 177.26 3i7f s VAL 315 N -1.61 1.47 -0.28 -0.36 1.01 0.75 -4.79 120.40 116.59 3i7f s VAL 315 Ca 0.51 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 3i7f s VAL 315 Cb -0.20 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 34.94 3i7f s VAL 315 CO 0.25 0.42 -0.00 -0.36 0.00 0.00 0.00 175.10 175.41 3i7f s PHE 316 N 0.16 3.16 -0.74 5.22 0.08 -1.18 -1.34 117.98 123.34 3i7f s PHE 316 Ca -0.07 -1.56 -0.20 0.00 0.12 0.00 0.00 56.93 55.22 3i7f s PHE 316 Cb -0.13 -2.12 0.11 0.00 -0.57 0.00 0.00 43.02 40.31 3i7f s PHE 316 CO 0.03 -0.73 0.93 1.03 -0.10 0.00 0.00 175.22 176.38 3i7f s ARG 317 N 1.33 3.29 0.62 0.44 1.81 -0.94 -4.40 118.95 121.10 3i7f s ARG 317 Ca -0.01 -1.40 0.36 0.00 -1.72 0.00 0.00 55.73 52.95 3i7f s ARG 317 Cb -0.18 -4.49 2.04 0.00 -0.45 0.00 0.00 34.95 31.88 3i7f s ARG 317 CO -0.02 -1.69 2.29 0.00 -0.68 0.00 0.00 175.30 175.20 3i7f h ALA 318 N 9.09 1.29 -1.64 2.13 0.00 -1.94 -3.39 119.26 124.80 3i7f h ALA 318 Ca -0.11 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.16 3i7f h ALA 318 Cb 1.06 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3i7f h ALA 318 CO 1.10 0.01 1.36 0.39 0.00 0.00 0.00 179.25 182.11 3i7f n GLU 319 N -3.51 1.67 -1.84 0.00 -0.58 -1.26 -4.87 120.64 110.25 3i7f n GLU 319 Ca -0.03 0.51 -0.32 0.00 -0.42 0.00 0.00 57.16 56.90 3i7f n GLU 319 Cb 0.09 -2.77 -0.04 0.00 -0.57 0.00 0.00 31.44 28.15 3i7f n GLU 319 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3i7f s ASN 320 N 6.79 4.82 -0.28 1.62 4.22 -1.26 -4.76 114.94 126.09 3i7f s ASN 320 Ca 1.02 0.34 -0.03 0.00 -2.14 0.00 0.00 52.86 52.05 3i7f s ASN 320 Cb -0.64 -2.53 0.09 0.00 1.28 0.00 0.00 41.25 39.46 3i7f s ASN 320 CO 0.45 -2.79 0.11 -0.44 -2.04 0.00 0.00 177.10 172.39 3i7f s SER 321 N 9.66 3.57 -0.35 3.54 0.01 -1.26 -5.08 113.70 123.79 3i7f s SER 321 Ca 0.80 -1.32 0.02 0.00 1.31 0.00 0.00 55.95 56.75 3i7f s SER 321 Cb -0.13 -0.55 0.11 0.00 0.21 0.00 0.00 66.02 65.66 3i7f s SER 321 CO 0.17 -0.41 0.11 0.20 0.41 0.00 0.00 173.24 173.71 3i7f s ASN 322 N 1.91 4.28 0.00 2.44 -0.87 -1.26 -4.00 114.94 117.44 3i7f s ASN 322 Ca 0.08 -2.06 0.00 0.00 -1.57 0.00 0.00 52.86 49.31 3i7f s ASN 322 Cb -0.17 -1.23 0.00 0.00 -0.02 0.00 0.00 41.25 39.84 3i7f s ASN 322 CO -0.28 -0.37 0.00 0.35 -2.57 0.00 0.00 177.10 174.23 3i7f n THR 323 N 4.33 0.00 -1.99 1.60 -2.24 -1.26 -5.02 114.28 109.70 3i7f n THR 323 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3i7f n THR 323 Cb 0.40 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 3i7f n THR 323 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i7f n ARG 324 N -0.75 0.00 -0.09 -0.78 1.74 -1.26 -4.99 116.66 110.53 3i7f n ARG 324 Ca 0.00 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3i7f n ARG 324 Cb 0.00 -0.03 0.00 0.00 -1.02 0.00 0.00 32.46 31.41 3i7f n ARG 324 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3i7f n ARG 325 N 0.00 0.00 -3.92 5.56 1.85 -1.26 -3.68 116.66 115.21 3i7f n ARG 325 Ca 0.00 -0.11 -0.11 0.00 -1.00 0.00 0.00 57.85 56.64 3i7f n ARG 325 Cb 0.51 -0.09 -0.12 0.00 -1.05 0.00 0.00 32.46 31.71 3i7f n ARG 325 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3i7f s HIS 326 N 0.00 0.13 0.08 2.89 3.76 -1.26 -4.89 115.29 116.00 3i7f s HIS 326 Ca 0.00 -0.26 -0.08 0.00 -0.15 0.00 0.00 55.06 54.57 3i7f s HIS 326 Cb 0.00 -0.09 -0.00 0.00 1.11 0.00 0.00 32.58 33.59 3i7f s HIS 326 CO 0.00 -0.10 0.17 -0.51 -0.85 0.00 0.00 174.74 173.45 3i7f s LEU 327 N -0.74 1.51 0.00 0.89 1.43 -1.26 -4.49 118.68 116.02 3i7f s LEU 327 Ca -0.08 -0.66 0.17 0.00 -1.03 0.00 0.00 54.13 52.52 3i7f s LEU 327 Cb -0.05 0.96 0.83 0.00 0.03 0.00 0.00 46.19 47.96 3i7f s LEU 327 CO -0.00 -0.71 1.55 0.35 0.23 0.00 0.00 176.35 177.77 3i7f n THR 328 N 0.00 0.09 -3.67 5.49 -2.24 -1.26 -4.53 114.28 108.16 3i7f n THR 328 Ca -0.15 -0.13 -0.08 0.00 -2.27 0.00 0.00 64.05 61.42 3i7f n THR 328 Cb 0.62 -0.03 -0.09 0.00 -2.10 0.00 0.00 70.33 68.73 3i7f n THR 328 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3i7f s GLU 329 N -1.91 0.52 0.30 -0.78 2.12 -1.26 -2.22 118.70 115.46 3i7f s GLU 329 Ca 0.26 1.04 -0.02 0.00 0.36 0.00 0.00 54.97 56.60 3i7f s GLU 329 Cb 0.13 0.16 -0.01 0.00 0.26 0.00 0.00 34.13 34.66 3i7f s GLU 329 CO 0.20 -0.17 0.37 -0.59 -0.54 0.00 0.00 175.26 174.53 3i7f s PHE 330 N 1.76 1.09 -0.23 5.30 -0.71 -0.45 -4.89 117.98 119.86 3i7f s PHE 330 Ca -0.08 -1.28 -0.09 0.00 -1.04 0.00 0.00 56.93 54.43 3i7f s PHE 330 Cb -0.08 -0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 3i7f s PHE 330 CO -0.16 -0.97 0.12 -2.00 -1.34 0.00 0.00 175.22 170.87 3i7f s GLU 331 N -3.50 3.92 -0.13 1.99 2.56 -1.26 -0.17 118.70 122.11 3i7f s GLU 331 Ca 0.33 -0.35 -0.02 0.00 0.00 0.00 0.00 54.97 54.93 3i7f s GLU 331 Cb 0.01 -3.42 -0.03 0.00 2.00 0.00 0.00 34.13 32.70 3i7f s GLU 331 CO 0.18 0.01 -0.06 0.20 -0.56 0.00 0.00 175.26 175.02 3i7f s GLY 332 N 1.15 1.67 -0.35 -1.50 0.00 0.15 -1.23 107.32 107.23 3i7f s GLY 332 Ca 0.06 -0.85 -0.12 0.00 0.00 0.00 0.00 44.72 43.81 3i7f s GLY 332 CO 0.04 -0.24 0.21 1.08 0.00 0.00 0.00 173.10 174.20 3i7f s LEU 333 N 0.07 4.51 0.06 0.66 1.43 0.25 -2.10 118.68 123.56 3i7f s LEU 333 Ca -0.02 -0.64 0.09 0.00 -1.03 0.00 0.00 54.13 52.54 3i7f s LEU 333 Cb -0.14 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 3i7f s LEU 333 CO 0.03 -0.28 -0.24 -1.81 0.23 0.00 0.00 176.35 174.28 3i7f s ASP 334 N 1.65 3.38 0.03 2.29 1.01 -0.04 -0.27 116.67 124.72 3i7f s ASP 334 Ca 0.05 -0.58 0.03 0.00 0.71 0.00 0.00 52.55 52.75 3i7f s ASP 334 Cb -0.18 -0.36 -0.02 0.00 1.01 0.00 0.00 42.92 43.37 3i7f s ASP 334 CO 0.08 0.24 -0.09 -0.63 0.21 0.00 0.00 175.17 174.98 3i7f s ILE 335 N -0.90 0.69 -0.12 0.77 1.01 -0.75 -0.79 121.20 121.10 3i7f s ILE 335 Ca 0.13 -0.82 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 3i7f s ILE 335 Cb -0.10 -0.67 0.04 0.00 0.01 0.00 0.00 42.46 41.74 3i7f s ILE 335 CO 0.04 -0.13 0.42 -0.70 0.00 0.00 0.00 174.94 174.58 3i7f s GLU 336 N -1.05 0.58 -0.00 2.79 2.56 -0.22 -0.56 118.70 122.79 3i7f s GLU 336 Ca -0.03 0.40 -0.22 0.00 0.00 0.00 0.00 54.97 55.11 3i7f s GLU 336 Cb -0.07 0.27 0.05 0.00 2.00 0.00 0.00 34.13 36.38 3i7f s GLU 336 CO 0.01 -0.11 0.50 0.00 -0.56 0.00 0.00 175.26 175.09 3i7f s MET 337 N -0.22 0.92 0.89 4.30 0.23 -0.34 -0.59 119.30 124.48 3i7f s MET 337 Ca -0.04 -0.07 -0.11 0.00 -1.03 0.00 0.00 55.69 54.44 3i7f s MET 337 Cb -0.03 0.42 0.13 0.00 -1.53 0.00 0.00 34.83 33.82 3i7f s MET 337 CO 0.02 -0.29 1.15 -1.21 -2.03 0.00 0.00 175.02 172.66 3i7f s GLU 338 N -1.69 1.17 -0.02 3.16 2.02 0.40 -1.94 118.70 121.80 3i7f s GLU 338 Ca -0.10 1.57 0.01 0.00 0.02 0.00 0.00 54.97 56.47 3i7f s GLU 338 Cb -0.02 -1.74 0.02 0.00 0.10 0.00 0.00 34.13 32.49 3i7f s GLU 338 CO 0.04 -2.53 -0.02 0.42 0.02 0.00 0.00 175.26 173.20 3i7f s ILE 339 N -2.58 0.24 0.00 -1.63 -1.09 0.52 -4.77 121.20 111.90 3i7f s ILE 339 Ca 0.68 -0.01 0.00 0.00 -2.23 0.00 0.00 60.65 59.08 3i7f s ILE 339 Cb -0.23 -0.29 0.00 0.00 -1.58 0.00 0.00 42.46 40.36 3i7f s ILE 339 CO 0.57 0.13 0.00 0.52 -1.23 0.00 0.00 174.94 174.93 3i7f n VAL 340 N 3.75 0.00 -0.04 2.92 0.31 -1.26 -4.41 118.33 119.59 3i7f n VAL 340 Ca -0.22 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.89 3i7f n VAL 340 Cb 0.53 -0.66 -0.13 0.00 -0.91 0.00 0.00 33.84 32.67 3i7f n VAL 340 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i7f n GLU 341 N -1.14 0.67 -3.71 5.55 1.02 -1.26 -5.01 120.64 116.76 3i7f n GLU 341 Ca 0.00 0.40 -0.13 0.00 -0.02 0.00 0.00 57.16 57.40 3i7f n GLU 341 Cb 0.00 -1.72 -0.09 0.00 -0.02 0.00 0.00 31.44 29.61 3i7f n GLU 341 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3i7f s ASN 342 N -6.97 -0.46 0.27 1.62 3.84 -1.26 -5.04 114.94 106.93 3i7f s ASN 342 Ca -0.25 0.83 0.22 0.00 0.21 0.00 0.00 52.86 53.87 3i7f s ASN 342 Cb 0.06 0.86 1.02 0.00 -0.55 0.00 0.00 41.25 42.64 3i7f s ASN 342 CO 0.69 -0.21 1.68 0.00 -2.79 0.00 0.00 177.10 176.47 3i7f n TYR 343 N 2.58 0.77 0.31 0.43 4.11 -1.26 -0.92 117.16 123.18 3i7f n TYR 343 Ca -0.14 0.33 0.20 0.00 -0.00 0.00 0.00 57.90 58.29 3i7f n TYR 343 Cb 0.57 -1.03 1.00 0.00 -0.00 0.00 0.00 39.34 39.88 3i7f n TYR 343 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 3i7f h HIS 344 N 0.00 0.00 -0.93 -3.48 3.86 -1.99 0.10 115.15 112.71 3i7f h HIS 344 Ca 0.00 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.40 3i7f h HIS 344 Cb 0.24 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.64 3i7f h HIS 344 CO 0.00 0.01 0.60 0.93 0.86 0.00 0.00 177.93 180.33 3i7f h GLU 345 N 0.00 0.54 -0.17 2.45 5.08 -1.47 0.28 114.58 121.29 3i7f h GLU 345 Ca -0.00 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.12 3i7f h GLU 345 Cb 0.20 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.33 3i7f h GLU 345 CO 0.00 0.36 -0.72 0.00 -1.00 0.00 0.00 179.01 177.65 3i7f h ILE 347 N 0.53 1.24 -0.67 0.00 -2.65 -1.15 -2.78 117.51 112.03 3i7f h ILE 347 Ca -0.04 -0.98 -0.01 0.00 1.03 0.00 0.00 64.86 64.86 3i7f h ILE 347 Cb 1.34 0.89 -0.03 0.00 -2.05 0.00 0.00 36.82 36.96 3i7f h ILE 347 CO 0.15 0.34 0.37 0.44 0.03 0.00 0.00 178.15 179.48 3i7f h ASP 348 N 0.71 0.82 -0.40 2.16 3.32 -0.44 -1.86 116.42 120.73 3i7f h ASP 348 Ca 0.14 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 3i7f h ASP 348 Cb 0.44 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3i7f h ASP 348 CO 0.02 0.66 -0.08 0.58 -1.72 0.00 0.00 179.24 178.70 3i7f h VAL 349 N 0.93 1.27 -0.27 -1.35 2.07 -1.24 -2.46 116.25 115.20 3i7f h VAL 349 Ca 0.24 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.66 3i7f h VAL 349 Cb 0.02 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 3i7f h VAL 349 CO -0.04 0.39 -0.10 0.24 0.02 0.00 0.00 177.57 178.07 3i7f h MET 350 N 0.57 -0.05 0.13 1.57 2.86 -1.27 0.67 114.93 119.41 3i7f h MET 350 Ca 0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3i7f h MET 350 Cb 0.59 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3i7f h MET 350 CO 0.04 -0.04 -0.10 1.49 1.06 0.00 0.00 176.91 179.36 3i7f h GLU 351 N -0.06 -0.24 -0.51 1.72 4.81 -1.25 0.57 114.58 119.63 3i7f h GLU 351 Ca 0.14 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.47 3i7f h GLU 351 Cb 0.27 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.63 3i7f h GLU 351 CO -0.31 -0.16 0.11 0.87 -0.73 0.00 0.00 179.01 178.79 3i7f h LYS 352 N -0.24 0.24 -0.10 1.92 1.57 -1.26 -0.65 116.57 118.04 3i7f h LYS 352 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3i7f h LYS 352 Cb 0.22 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3i7f h LYS 352 CO -0.01 0.16 0.06 1.25 -0.57 0.00 0.00 179.45 180.35 3i7f h LEU 353 N 0.25 0.11 -0.26 2.94 5.85 0.19 -1.92 115.31 122.46 3i7f h LEU 353 Ca 0.25 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.76 3i7f h LEU 353 Cb 0.34 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3i7f h LEU 353 CO -0.32 0.09 -0.79 -0.26 -0.34 0.00 0.00 178.44 176.81 3i7f h PHE 354 N 0.13 0.78 -0.38 1.25 0.04 0.22 -2.48 116.94 116.49 3i7f h PHE 354 Ca 0.04 -0.36 0.00 0.00 2.80 0.00 0.00 57.97 60.45 3i7f h PHE 354 Cb -0.01 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 3i7f h PHE 354 CO -0.07 1.15 0.24 1.15 -0.60 0.00 0.00 178.31 180.19 3i7f h THR 355 N 0.38 1.10 0.13 -1.55 2.02 -1.00 0.17 112.91 114.16 3i7f h THR 355 Ca -0.05 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3i7f h THR 355 Cb 1.40 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 3i7f h THR 355 CO 0.15 0.10 -0.06 0.15 0.37 0.00 0.00 175.52 176.23 3i7f h PHE 356 N 0.52 -0.16 -0.69 3.16 3.57 -1.17 0.38 116.94 122.54 3i7f h PHE 356 Ca 0.14 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.73 3i7f h PHE 356 Cb -0.05 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.67 3i7f h PHE 356 CO 0.00 0.17 0.33 0.82 -2.23 0.00 0.00 178.31 177.40 3i7f h ILE 357 N -0.51 0.82 0.00 1.41 2.04 -0.95 -0.34 117.51 119.98 3i7f h ILE 357 Ca -0.02 -0.19 -0.17 0.00 1.00 0.00 0.00 64.86 65.48 3i7f h ILE 357 Cb 0.40 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3i7f h ILE 357 CO 0.03 0.10 -0.80 -0.26 0.00 0.00 0.00 178.15 177.22 3i7f h PHE 358 N 0.56 0.00 -0.03 1.37 0.04 -0.53 -2.14 116.94 116.21 3i7f h PHE 358 Ca 0.35 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.10 3i7f h PHE 358 Cb 0.38 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 3i7f h PHE 358 CO -0.12 0.80 -0.03 -0.44 -0.60 0.00 0.00 178.31 177.92 3i7f h ASP 359 N 0.00 0.07 0.47 2.17 3.32 0.11 -3.37 116.42 119.18 3i7f h ASP 359 Ca -0.01 -0.48 -0.19 0.00 0.02 0.00 0.00 57.03 56.37 3i7f h ASP 359 Cb 1.57 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 41.09 3i7f h ASP 359 CO 0.10 0.54 -0.81 -0.33 -1.72 0.00 0.00 179.24 177.02 3i7f h GLU 360 N -0.40 0.25 -0.30 3.56 4.39 -1.08 -3.31 114.58 117.70 3i7f h GLU 360 Ca 0.00 -0.24 0.07 0.00 0.34 0.00 0.00 59.36 59.53 3i7f h GLU 360 Cb 0.52 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.16 3i7f h GLU 360 CO 0.01 0.93 -0.16 0.82 -1.16 0.00 0.00 179.01 179.45 3i7f h ILE 361 N 0.16 0.51 -0.15 3.13 2.04 -1.55 -0.41 117.51 121.24 3i7f h ILE 361 Ca -0.04 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 3i7f h ILE 361 Cb 1.41 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3i7f h ILE 361 CO 0.13 0.00 -0.28 -0.65 0.00 0.00 0.00 178.15 177.35 3i7f h PRO 362 N -0.13 0.28 -0.31 2.37 0.11 -1.77 -0.01 132.00 132.55 3i7f h PRO 362 Ca 0.16 -0.10 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 3i7f h PRO 362 Cb 0.36 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 3i7f h PRO 362 CO -0.38 0.54 -0.11 0.87 -0.21 0.00 0.00 178.00 178.71 3i7f h LYS 363 N 0.25 0.52 0.00 1.05 1.57 -1.41 -3.14 116.57 115.41 3i7f h LYS 363 Ca 0.04 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3i7f h LYS 363 Cb 0.63 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3i7f h LYS 363 CO 0.05 0.63 -1.67 0.54 -0.57 0.00 0.00 179.45 178.42 3i7f n ARG 364 N -4.20 0.61 -2.80 3.15 1.74 -0.25 -4.62 116.66 110.28 3i7f n ARG 364 Ca 0.01 -0.14 -0.14 0.00 -0.77 0.00 0.00 57.85 56.80 3i7f n ARG 364 Cb 0.32 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.31 3i7f n ARG 364 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3i7f n PHE 365 N -2.02 1.30 -0.12 -1.55 3.72 -0.03 -4.95 117.46 113.80 3i7f n PHE 365 Ca -0.02 -3.18 -0.08 0.00 -0.05 0.00 0.00 57.45 54.12 3i7f n PHE 365 Cb 0.47 -0.36 -0.00 0.00 -0.94 0.00 0.00 39.48 38.64 3i7f n PHE 365 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3i7f h PRO 366 N 2.95 0.53 -0.71 -1.08 0.13 -1.74 -2.76 132.00 129.32 3i7f h PRO 366 Ca 0.01 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 3i7f h PRO 366 Cb 1.06 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 3i7f h PRO 366 CO 0.56 0.38 0.26 -0.44 -0.23 0.00 0.00 178.00 178.53 3i7f h ASP 367 N 0.52 0.98 -0.14 1.44 3.32 -1.92 -1.47 116.42 119.14 3i7f h ASP 367 Ca 0.14 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3i7f h ASP 367 Cb -0.02 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3i7f h ASP 367 CO -0.03 0.88 0.07 -0.33 -1.72 0.00 0.00 179.24 178.11 3i7f h GLU 368 N 1.03 0.21 -0.61 3.56 3.07 -1.92 -0.63 114.58 119.29 3i7f h GLU 368 Ca 0.24 -0.03 0.09 0.00 -0.50 0.00 0.00 59.36 59.15 3i7f h GLU 368 Cb 0.22 -0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 28.03 3i7f h GLU 368 CO -0.02 0.26 0.25 -0.07 -1.40 0.00 0.00 179.01 178.03 3i7f h LEU 369 N 0.10 0.28 -0.24 1.33 3.38 -1.24 -1.34 115.31 117.57 3i7f h LEU 369 Ca 0.05 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3i7f h LEU 369 Cb 0.12 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3i7f h LEU 369 CO -0.01 0.17 -0.04 0.11 0.09 0.00 0.00 178.44 178.76 3i7f h LYS 370 N 0.45 0.02 -0.22 1.13 1.57 -0.83 -2.16 116.57 116.53 3i7f h LYS 370 Ca 0.30 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.02 3i7f h LYS 370 Cb 0.34 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3i7f h LYS 370 CO -0.28 0.01 -0.14 0.28 -0.57 0.00 0.00 179.45 178.75 3i7f h VAL 371 N 0.02 1.21 -0.25 0.50 2.07 -0.37 -2.61 116.25 116.82 3i7f h VAL 371 Ca 0.12 -0.94 -0.15 0.00 0.82 0.00 0.00 66.70 66.55 3i7f h VAL 371 Cb 0.17 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3i7f h VAL 371 CO -0.24 0.30 -0.43 0.40 0.02 0.00 0.00 177.57 177.62 3i7f h ILE 372 N 0.34 1.30 -0.31 4.57 2.04 -1.02 -3.26 117.51 121.18 3i7f h ILE 372 Ca 0.06 -1.63 -0.04 0.00 1.00 0.00 0.00 64.86 64.25 3i7f h ILE 372 Cb 0.46 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3i7f h ILE 372 CO 0.03 0.52 0.01 -0.09 0.00 0.00 0.00 178.15 178.62 3i7f h ARG 373 N 0.46 0.46 -0.25 2.37 2.43 -1.00 0.17 114.38 119.02 3i7f h ARG 373 Ca 0.02 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3i7f h ARG 373 Cb 1.03 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 3i7f h ARG 373 CO 0.10 0.48 0.15 0.87 -1.51 0.00 0.00 179.97 180.06 3i7f h LYS 374 N 0.45 0.33 0.02 0.20 1.57 -1.57 -2.49 116.57 115.08 3i7f h LYS 374 Ca 0.10 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3i7f h LYS 374 Cb 0.27 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3i7f h LYS 374 CO 0.01 0.26 -0.01 1.96 -0.57 0.00 0.00 179.45 181.09 3i7f h GLN 375 N 0.31 -0.03 -3.02 3.15 1.08 -1.44 -3.41 115.11 111.76 3i7f h GLN 375 Ca 0.09 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.68 3i7f h GLN 375 Cb 0.01 0.01 -0.40 0.00 -0.05 0.00 0.00 27.48 27.04 3i7f h GLN 375 CO -0.02 0.49 -0.72 0.71 -0.95 0.00 0.00 178.83 178.34 3i7f s TYR 376 N -4.06 2.25 0.37 2.96 1.51 0.52 -3.95 117.35 116.95 3i7f s TYR 376 Ca -0.16 -2.61 -0.27 0.00 -1.01 0.00 0.00 57.07 53.02 3i7f s TYR 376 Cb 0.01 -2.04 -0.11 0.00 -0.11 0.00 0.00 41.96 39.70 3i7f s TYR 376 CO 0.66 -0.76 1.27 -2.30 -1.11 0.00 0.00 175.55 173.31 3i7f n PRO 377 N 3.30 2.03 -3.52 -1.71 -0.02 -0.94 -4.36 135.00 129.78 3i7f n PRO 377 Ca 0.10 0.71 -0.16 0.00 -2.02 0.00 0.00 63.50 62.14 3i7f n PRO 377 Cb 0.35 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.45 3i7f n PRO 377 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3i7f s PHE 378 N -1.13 -0.58 0.12 6.00 -0.12 -1.26 -5.00 117.98 116.01 3i7f s PHE 378 Ca 0.57 0.91 -0.04 0.00 -0.05 0.00 0.00 56.93 58.32 3i7f s PHE 378 Cb -0.55 0.44 -0.05 0.00 -0.63 0.00 0.00 43.02 42.23 3i7f s PHE 378 CO 0.61 -0.59 0.35 -1.83 -0.05 0.00 0.00 175.22 173.71 3i7f s GLU 379 N -1.56 3.59 0.27 1.99 -1.05 -1.26 -5.01 118.70 115.67 3i7f s GLU 379 Ca -0.07 -0.13 -0.30 0.00 -0.15 0.00 0.00 54.97 54.31 3i7f s GLU 379 Cb -0.00 -2.89 -0.13 0.00 -0.44 0.00 0.00 34.13 30.67 3i7f s GLU 379 CO 0.05 0.50 1.39 -0.25 0.95 0.00 0.00 175.26 177.90 3i7f n ASP 380 N 0.18 2.81 -4.69 0.83 8.00 -1.26 -4.87 116.55 117.55 3i7f n ASP 380 Ca -0.03 1.16 -0.44 0.00 0.71 0.00 0.00 54.79 56.19 3i7f n ASP 380 Cb 0.52 -1.45 -0.02 0.00 -0.02 0.00 0.00 41.12 40.15 3i7f n ASP 380 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3i7f n LEU 381 N 1.85 3.38 -4.49 0.64 7.94 -1.26 -4.97 117.00 120.08 3i7f n LEU 381 Ca 0.10 1.15 -0.40 0.00 -1.11 0.00 0.00 56.01 55.75 3i7f n LEU 381 Cb 0.33 -1.46 -0.11 0.00 0.53 0.00 0.00 43.42 42.71 3i7f n LEU 381 CO 0.63 -0.39 -0.14 -0.63 -1.11 0.00 0.00 177.39 175.75 3i7f s ILE 382 N -0.23 5.06 0.00 1.96 1.01 -1.26 -4.95 121.20 122.79 3i7f s ILE 382 Ca 0.65 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.94 3i7f s ILE 382 Cb -0.61 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.22 3i7f s ILE 382 CO 0.52 -0.04 0.32 0.00 0.00 0.00 0.00 174.94 175.73 3i7f n TYR 383 N 5.07 0.00 -4.85 3.97 4.11 -1.26 0.54 117.16 124.73 3i7f n TYR 383 Ca -0.13 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.45 3i7f n TYR 383 Cb 0.49 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.68 3i7f n TYR 383 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 3i7f s ARG 384 N -0.31 3.25 0.58 -3.48 0.52 -1.26 -3.38 118.95 114.88 3i7f s ARG 384 Ca 0.00 -0.76 -0.15 0.00 -0.52 0.00 0.00 55.73 54.31 3i7f s ARG 384 Cb 0.00 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.89 3i7f s ARG 384 CO 0.00 0.16 1.03 -1.25 0.02 0.00 0.00 175.30 175.26 3i7f s PRO 385 N 0.45 3.49 -0.51 3.54 0.04 -1.26 -4.81 135.00 135.94 3i7f s PRO 385 Ca -0.12 1.05 -0.26 0.00 0.04 0.00 0.00 61.00 61.71 3i7f s PRO 385 Cb -0.16 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.34 3i7f s PRO 385 CO 0.05 -0.66 1.00 0.12 0.04 0.00 0.00 177.00 177.55 3i7f s PHE 386 N -2.66 2.82 0.09 0.56 5.99 -1.22 -4.68 117.98 118.88 3i7f s PHE 386 Ca 0.61 0.29 -0.27 0.00 0.00 0.00 0.00 56.93 57.56 3i7f s PHE 386 Cb -0.13 -4.14 -0.06 0.00 0.00 0.00 0.00 43.02 38.68 3i7f s PHE 386 CO 0.39 -1.28 0.83 -1.17 -0.00 0.00 0.00 175.22 173.99 3i7f s LEU 387 N 4.09 4.49 -0.25 6.12 2.96 -1.08 -4.94 118.68 130.07 3i7f s LEU 387 Ca 0.37 1.59 -0.02 0.00 -0.22 0.00 0.00 54.13 55.84 3i7f s LEU 387 Cb -0.10 -3.35 0.02 0.00 0.50 0.00 0.00 46.19 43.26 3i7f s LEU 387 CO 0.25 0.02 -0.05 -0.13 -1.32 0.00 0.00 176.35 175.12 3i7f s ARG 388 N -0.22 2.96 0.44 1.98 0.52 -1.26 -0.08 118.95 123.29 3i7f s ARG 388 Ca 0.41 -0.90 0.07 0.00 -0.52 0.00 0.00 55.73 54.78 3i7f s ARG 388 Cb -0.22 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.20 3i7f s ARG 388 CO 0.26 -0.36 0.23 -0.51 0.02 0.00 0.00 175.30 174.93 3i7f s LEU 389 N 1.37 3.05 0.25 2.53 1.43 -0.54 -5.00 118.68 121.77 3i7f s LEU 389 Ca 0.02 -1.09 0.07 0.00 -1.03 0.00 0.00 54.13 52.10 3i7f s LEU 389 Cb -0.16 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 3i7f s LEU 389 CO -0.04 -0.66 0.16 0.42 0.23 0.00 0.00 176.35 176.47 3i7f s THR 390 N -2.62 4.28 0.19 5.49 -4.23 -1.26 -0.72 115.64 116.76 3i7f s THR 390 Ca 0.39 -1.49 -0.11 0.00 -1.18 0.00 0.00 61.69 59.30 3i7f s THR 390 Cb 0.02 -3.31 0.12 0.00 1.34 0.00 0.00 72.50 70.67 3i7f s THR 390 CO 0.22 -0.35 1.74 0.22 -0.54 0.00 0.00 174.62 175.91 3i7f h TYR 391 N 1.57 0.33 -0.44 3.99 3.20 -0.67 -0.91 116.97 124.05 3i7f h TYR 391 Ca -0.48 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.50 3i7f h TYR 391 Cb 1.24 -0.07 -0.10 0.00 1.54 0.00 0.00 36.73 39.35 3i7f h TYR 391 CO 0.58 0.09 -0.32 0.87 -1.64 0.00 0.00 178.16 177.74 3i7f h LYS 392 N 0.37 -0.22 -0.92 1.82 1.57 -1.84 0.21 116.57 117.55 3i7f h LYS 392 Ca 0.27 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.07 3i7f h LYS 392 Cb 0.31 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 3i7f h LYS 392 CO -0.28 -0.15 0.60 0.93 -0.57 0.00 0.00 179.45 179.98 3i7f h GLU 393 N -0.23 1.22 -0.02 3.15 5.08 -1.76 0.27 114.58 122.28 3i7f h GLU 393 Ca 0.18 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3i7f h GLU 393 Cb 0.54 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3i7f h GLU 393 CO -0.56 0.81 0.01 0.00 -1.00 0.00 0.00 179.01 178.27 3i7f h ALA 394 N 1.41 0.02 -0.76 3.43 0.00 -0.15 -0.78 119.26 122.43 3i7f h ALA 394 Ca 0.33 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.27 3i7f h ALA 394 Cb -0.13 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 3i7f h ALA 394 CO -0.07 -0.41 0.41 0.82 0.00 0.00 0.00 179.25 180.00 3i7f h ILE 395 N -0.11 0.88 -0.66 0.00 1.08 -0.21 -1.43 117.51 117.05 3i7f h ILE 395 Ca 0.01 -0.24 0.05 0.00 -0.39 0.00 0.00 64.86 64.29 3i7f h ILE 395 Cb 0.14 0.13 -0.05 0.00 -3.07 0.00 0.00 36.82 33.96 3i7f h ILE 395 CO -0.00 0.13 0.38 -0.08 -0.69 0.00 0.00 178.15 177.88 3i7f h GLU 396 N 0.69 0.68 0.04 2.37 4.81 -0.48 -1.61 114.58 121.09 3i7f h GLU 396 Ca 0.37 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3i7f h GLU 396 Cb 0.37 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3i7f h GLU 396 CO -0.26 0.45 -0.02 0.52 -0.73 0.00 0.00 179.01 178.97 3i7f h MET 397 N 0.70 -0.05 -0.78 1.92 2.86 -0.25 -2.58 114.93 116.76 3i7f h MET 397 Ca 0.29 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3i7f h MET 397 Cb 0.15 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 3i7f h MET 397 CO -0.17 0.25 0.48 -0.07 1.06 0.00 0.00 176.91 178.46 3i7f h LEU 398 N -0.35 0.93 -0.94 1.22 3.38 -1.10 0.37 115.31 118.81 3i7f h LEU 398 Ca -0.01 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3i7f h LEU 398 Cb 0.32 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3i7f h LEU 398 CO 0.01 0.71 0.60 0.03 0.09 0.00 0.00 178.44 179.88 3i7f h ARG 399 N 1.06 1.09 0.00 1.13 3.08 -1.36 -0.76 114.38 118.62 3i7f h ARG 399 Ca 0.28 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 3i7f h ARG 399 Cb -0.06 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.74 3i7f h ARG 399 CO -0.05 0.72 -0.24 0.00 -1.07 0.00 0.00 179.97 179.32 3i7f h ALA 400 N 1.41 1.39 0.00 0.04 0.00 -0.73 -1.57 119.26 119.80 3i7f h ALA 400 Ca 0.39 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3i7f h ALA 400 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i7f h ALA 400 CO -0.15 0.31 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 3i7f n SER 401 N -3.95 0.00 0.00 0.00 3.41 -0.03 -4.90 113.62 108.15 3i7f n SER 401 Ca -0.02 -0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 3i7f n SER 401 Cb 0.32 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3i7f n SER 401 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i7f n GLY 402 N 1.06 0.55 3.79 5.00 0.00 -0.59 -5.07 105.19 109.94 3i7f n GLY 402 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3i7f n GLY 402 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7f s GLU 403 N -0.68 3.77 -0.19 1.61 0.41 -0.48 -4.96 118.70 118.18 3i7f s GLU 403 Ca 0.00 1.46 -0.04 0.00 -0.41 0.00 0.00 54.97 55.98 3i7f s GLU 403 Cb 0.00 -2.17 -0.02 0.00 -1.78 0.00 0.00 34.13 30.17 3i7f s GLU 403 CO 0.00 -0.47 -0.04 0.95 -0.49 0.00 0.00 175.26 175.21 3i7f s THR 404 N -1.86 3.59 0.00 3.63 -4.23 -1.26 -4.06 115.64 111.45 3i7f s THR 404 Ca 0.67 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 3i7f s THR 404 Cb -0.19 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.04 3i7f s THR 404 CO 0.23 0.45 0.00 0.00 -0.54 0.00 0.00 174.62 174.76 3i7f n ILE 405 N 4.30 0.00 -0.31 2.99 3.06 -1.26 -5.10 119.36 123.04 3i7f n ILE 405 Ca -0.18 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.07 3i7f n ILE 405 Cb 0.52 -0.18 0.00 0.00 0.54 0.00 0.00 39.64 40.51 3i7f n ILE 405 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3i7f n GLY 406 N 1.39 -3.21 0.37 4.50 0.00 -1.26 -4.46 105.19 102.53 3i7f n GLY 406 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3i7f n GLY 406 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i7f h ASP 407 N 0.22 1.03 -0.24 1.61 3.45 -2.02 -3.10 116.42 117.37 3i7f h ASP 407 Ca 0.00 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.44 3i7f h ASP 407 Cb 0.06 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 38.59 3i7f h ASP 407 CO 0.00 0.72 -0.00 -1.22 -1.57 0.00 0.00 179.24 177.17 3i7f n TYR 408 N -4.42 0.89 -2.98 4.55 4.01 -1.26 -4.93 117.16 113.02 3i7f n TYR 408 Ca 0.12 -0.90 -0.40 0.00 -0.16 0.00 0.00 57.90 56.56 3i7f n TYR 408 Cb 0.07 -0.31 -0.06 0.00 -0.31 0.00 0.00 39.34 38.73 3i7f n TYR 408 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3i7f s ASP 409 N -2.01 7.32 0.74 7.72 1.11 -1.18 -4.74 116.67 125.63 3i7f s ASP 409 Ca 0.42 1.57 -0.15 0.00 0.18 0.00 0.00 52.55 54.56 3i7f s ASP 409 Cb 0.34 -2.49 0.03 0.00 1.07 0.00 0.00 42.92 41.87 3i7f s ASP 409 CO 0.08 0.13 1.13 -0.67 1.18 0.00 0.00 175.17 177.02 3i7f n ASP 410 N 2.11 1.06 -4.81 0.27 2.03 -1.26 -5.00 116.55 110.95 3i7f n ASP 410 Ca -0.04 0.68 -0.38 0.00 0.52 0.00 0.00 54.79 55.56 3i7f n ASP 410 Cb 0.49 -1.48 -0.06 0.00 -0.72 0.00 0.00 41.12 39.35 3i7f n ASP 410 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3i7f s PHE 411 N -1.82 3.78 0.71 -0.67 0.08 -1.26 -5.08 117.98 113.72 3i7f s PHE 411 Ca 0.76 1.21 -0.14 0.00 0.12 0.00 0.00 56.93 58.88 3i7f s PHE 411 Cb -0.33 -2.47 0.03 0.00 -0.57 0.00 0.00 43.02 39.67 3i7f s PHE 411 CO 0.48 0.57 1.12 -0.08 -0.10 0.00 0.00 175.22 177.21 3i7f s THR 412 N -0.99 3.10 0.14 0.64 -1.32 -1.26 -4.89 115.64 111.06 3i7f s THR 412 Ca 0.28 0.47 -0.18 0.00 -1.21 0.00 0.00 61.69 61.05 3i7f s THR 412 Cb -0.19 -2.96 -0.02 0.00 -1.51 0.00 0.00 72.50 67.82 3i7f s THR 412 CO 0.18 -0.36 1.79 0.74 -2.21 0.00 0.00 174.62 174.75 3i7f h THR 413 N -0.39 1.04 -0.90 5.08 2.02 -2.00 -1.28 112.91 116.49 3i7f h THR 413 Ca -0.46 -0.13 0.21 0.00 0.77 0.00 0.00 66.41 66.80 3i7f h THR 413 Cb 1.25 0.64 -0.12 0.00 -1.74 0.00 0.00 68.15 68.18 3i7f h THR 413 CO 0.52 0.07 0.42 -0.65 0.37 0.00 0.00 175.52 176.25 3i7f h PRO 414 N 0.37 0.45 -0.29 6.66 0.11 -1.98 -1.27 132.00 136.04 3i7f h PRO 414 Ca 0.12 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 3i7f h PRO 414 Cb -0.01 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 30.98 3i7f h PRO 414 CO -0.05 0.30 -0.01 1.96 -0.21 0.00 0.00 178.00 179.99 3i7f h GLN 415 N 0.46 0.45 -0.54 1.05 7.50 -1.61 0.92 115.11 123.34 3i7f h GLN 415 Ca 0.55 -0.09 -0.12 0.00 0.50 0.00 0.00 58.65 59.49 3i7f h GLN 415 Cb 0.99 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 28.44 3i7f h GLN 415 CO -0.49 0.49 -0.13 0.93 -1.50 0.00 0.00 178.83 178.13 3i7f h GLU 416 N 0.43 1.03 -0.54 1.46 5.08 -0.80 -1.59 114.58 119.66 3i7f h GLU 416 Ca 0.10 -0.39 -0.10 0.00 -1.00 0.00 0.00 59.36 57.96 3i7f h GLU 416 Cb 0.30 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3i7f h GLU 416 CO 0.01 1.08 -0.07 0.28 -1.00 0.00 0.00 179.01 179.31 3i7f h VAL 417 N 0.91 1.27 -0.43 3.13 2.07 -0.72 -1.51 116.25 120.96 3i7f h VAL 417 Ca 0.14 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 3i7f h VAL 417 Cb 0.70 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3i7f h VAL 417 CO 0.05 0.43 0.22 0.50 0.02 0.00 0.00 177.57 178.79 3i7f h LYS 418 N 0.87 0.62 -0.38 1.57 1.63 -0.78 -1.37 116.57 118.72 3i7f h LYS 418 Ca 0.14 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 3i7f h LYS 418 Cb 0.63 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 3i7f h LYS 418 CO 0.04 0.52 0.11 1.25 -3.45 0.00 0.00 179.45 177.92 3i7f h LEU 419 N 0.56 0.51 -0.47 5.20 5.85 -1.18 -0.13 115.31 125.66 3i7f h LEU 419 Ca 0.15 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3i7f h LEU 419 Cb 0.09 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3i7f h LEU 419 CO -0.02 0.50 0.27 1.23 -0.34 0.00 0.00 178.44 180.07 3i7f h GLY 420 N 0.75 0.65 1.50 3.75 0.00 -0.61 -0.28 103.07 108.83 3i7f h GLY 420 Ca 0.13 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 47.15 3i7f h GLY 420 CO -0.01 0.16 -0.32 1.05 0.00 0.00 0.00 176.54 177.42 3i7f h GLU 421 N 0.54 0.57 -0.03 4.80 -0.00 -0.23 0.26 114.58 120.49 3i7f h GLU 421 Ca 0.19 -0.25 -0.00 0.00 -0.00 0.00 0.00 59.36 59.30 3i7f h GLU 421 Cb 0.03 -0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 28.77 3i7f h GLU 421 CO -0.10 0.82 0.02 -0.07 -0.00 0.00 0.00 179.01 179.68 3i7f h LEU 422 N 0.49 0.03 -0.57 3.06 3.38 -0.80 -2.50 115.31 118.39 3i7f h LEU 422 Ca 0.06 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3i7f h LEU 422 Cb 0.80 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3i7f h LEU 422 CO 0.07 0.05 -0.02 0.40 0.09 0.00 0.00 178.44 179.03 3i7f h ILE 423 N 0.01 1.27 -0.94 1.22 2.04 -0.79 -2.08 117.51 118.24 3i7f h ILE 423 Ca 0.01 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.71 3i7f h ILE 423 Cb 0.03 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 3i7f h ILE 423 CO -0.00 0.42 0.59 0.50 0.00 0.00 0.00 178.15 179.66 3i7f h LYS 424 N 0.92 1.25 -0.38 2.37 1.63 -0.96 -0.21 116.57 121.19 3i7f h LYS 424 Ca 0.16 -0.09 -0.16 0.00 -0.85 0.00 0.00 60.65 59.71 3i7f h LYS 424 Cb 0.58 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 3i7f h LYS 424 CO 0.03 0.85 -0.38 0.00 -3.45 0.00 0.00 179.45 176.50 3i7f h ALA 425 N 1.33 0.55 0.00 5.00 0.00 -1.17 -1.06 119.26 123.91 3i7f h ALA 425 Ca 0.34 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3i7f h ALA 425 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3i7f h ALA 425 CO -0.07 0.66 -0.29 -0.22 0.00 0.00 0.00 179.25 179.33 3i7f h LYS 426 N 0.74 0.00 0.00 0.00 3.64 -1.20 -3.40 116.57 116.36 3i7f h LYS 426 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3i7f h LYS 426 Cb 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3i7f h LYS 426 CO 0.09 0.99 -0.89 0.66 -2.27 0.00 0.00 179.45 178.03 3i7f n TYR 427 N -4.57 0.00 -3.53 1.91 4.01 -0.11 -5.03 117.16 109.84 3i7f n TYR 427 Ca -0.15 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.38 3i7f n TYR 427 Cb 0.52 -0.06 0.05 0.00 -0.31 0.00 0.00 39.34 39.54 3i7f n TYR 427 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3i7f n ASN 428 N -1.48 -3.87 -4.15 7.72 5.15 -0.40 -4.77 115.26 113.47 3i7f n ASN 428 Ca 0.02 -0.81 -0.13 0.00 -0.60 0.00 0.00 54.58 53.05 3i7f n ASN 428 Cb 0.27 -4.35 -0.11 0.00 -0.53 0.00 0.00 39.78 35.06 3i7f n ASN 428 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3i7f s THR 429 N -3.50 0.79 -1.61 -0.44 -1.32 -1.26 -4.71 115.64 103.60 3i7f s THR 429 Ca 0.25 -1.56 0.18 0.00 -1.21 0.00 0.00 61.69 59.34 3i7f s THR 429 Cb -0.06 -1.25 0.46 0.00 -1.51 0.00 0.00 72.50 70.14 3i7f s THR 429 CO 0.79 -0.58 1.38 0.47 -2.21 0.00 0.00 174.62 174.47 3i7f n ASP 430 N 0.66 3.40 -3.70 8.08 8.00 0.19 -3.93 116.55 129.25 3i7f n ASP 430 Ca -0.17 -1.97 -0.24 0.00 0.71 0.00 0.00 54.79 53.12 3i7f n ASP 430 Cb 0.58 -0.33 -0.17 0.00 -0.02 0.00 0.00 41.12 41.17 3i7f n ASP 430 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3i7f s PHE 431 N -1.06 0.46 0.29 1.24 5.36 -1.21 -1.40 117.98 121.65 3i7f s PHE 431 Ca 0.36 -0.21 -0.11 0.00 -0.96 0.00 0.00 56.93 56.01 3i7f s PHE 431 Cb 0.19 -0.73 0.01 0.00 -0.34 0.00 0.00 43.02 42.15 3i7f s PHE 431 CO 0.25 -0.38 0.53 1.52 -1.46 0.00 0.00 175.22 175.68 3i7f s TYR 432 N 2.04 0.50 -0.06 10.12 1.13 -0.98 -2.63 117.35 127.47 3i7f s TYR 432 Ca 0.03 -0.88 0.01 0.00 -1.41 0.00 0.00 57.07 54.83 3i7f s TYR 432 Cb -0.14 0.22 0.02 0.00 -1.10 0.00 0.00 41.96 40.96 3i7f s TYR 432 CO -0.06 -1.12 -0.08 -1.50 -2.51 0.00 0.00 175.55 170.27 3i7f s ILE 433 N -3.51 0.88 -0.27 -3.49 2.07 0.89 -0.89 121.20 116.87 3i7f s ILE 433 Ca 0.23 -0.31 -0.14 0.00 -1.41 0.00 0.00 60.65 59.03 3i7f s ILE 433 Cb -0.01 -0.85 -0.04 0.00 0.13 0.00 0.00 42.46 41.68 3i7f s ILE 433 CO 0.12 0.31 0.32 -0.76 -1.91 0.00 0.00 174.94 173.02 3i7f s LEU 434 N 0.93 4.03 0.26 8.50 1.02 0.12 -1.46 118.68 132.08 3i7f s LEU 434 Ca -0.10 0.19 0.08 0.00 0.02 0.00 0.00 54.13 54.32 3i7f s LEU 434 Cb -0.15 -2.33 -0.04 0.00 0.02 0.00 0.00 46.19 43.69 3i7f s LEU 434 CO 0.01 -0.14 0.11 -0.62 0.02 0.00 0.00 176.35 175.73 3i7f s ASP 435 N 1.68 5.12 -0.95 2.29 2.15 0.10 -1.38 116.67 125.68 3i7f s ASP 435 Ca 0.12 -0.41 -0.04 0.00 0.43 0.00 0.00 52.55 52.65 3i7f s ASP 435 Cb -0.16 -1.17 -0.05 0.00 -0.30 0.00 0.00 42.92 41.24 3i7f s ASP 435 CO 0.10 -0.02 0.82 0.29 -0.17 0.00 0.00 175.17 176.19 3i7f n LYS 436 N -1.06 -2.91 -1.82 4.34 4.76 -0.14 -0.11 118.16 121.22 3i7f n LYS 436 Ca -0.07 0.75 -0.33 0.00 -2.87 0.00 0.00 58.31 55.79 3i7f n LYS 436 Cb 0.58 -5.32 0.04 0.00 -1.84 0.00 0.00 35.03 28.50 3i7f n LYS 436 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3i7f s PHE 437 N -3.33 2.58 0.11 2.13 0.40 -1.22 -4.14 117.98 114.50 3i7f s PHE 437 Ca 0.30 1.55 -0.35 0.00 -0.60 0.00 0.00 56.93 57.84 3i7f s PHE 437 Cb -0.04 -3.22 -0.14 0.00 0.51 0.00 0.00 43.02 40.13 3i7f s PHE 437 CO 0.64 -1.75 1.57 -2.30 0.70 0.00 0.00 175.22 174.07 3i7f n PRO 438 N -2.25 1.94 -0.31 0.24 -0.02 -1.26 -0.76 135.00 132.58 3i7f n PRO 438 Ca 0.11 0.70 0.17 0.00 -2.02 0.00 0.00 63.50 62.46 3i7f n PRO 438 Cb 0.52 -2.45 0.42 0.00 -0.02 0.00 0.00 33.50 31.97 3i7f n PRO 438 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i7f h ALA 439 N 6.01 1.97 0.00 3.55 0.00 -0.99 -2.42 119.26 127.38 3i7f h ALA 439 Ca -0.46 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3i7f h ALA 439 Cb 1.27 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3i7f h ALA 439 CO 0.87 -0.32 -0.07 0.00 0.00 0.00 0.00 179.25 179.73 3i7f h ALA 440 N 1.63 1.29 0.00 0.00 0.00 -1.91 -1.79 119.26 118.48 3i7f h ALA 440 Ca 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3i7f h ALA 440 Cb 1.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3i7f h ALA 440 CO -0.29 0.09 -0.73 -0.89 0.00 0.00 0.00 179.25 177.43 3i7f n ILE 441 N -3.59 0.17 -4.18 0.00 2.08 -0.91 -4.96 119.36 107.95 3i7f n ILE 441 Ca -0.02 -0.16 -0.25 0.00 0.56 0.00 0.00 62.75 62.88 3i7f n ILE 441 Cb 0.19 0.15 -0.06 0.00 -0.75 0.00 0.00 39.64 39.16 3i7f n ILE 441 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3i7f s ARG 442 N -3.11 2.58 0.98 0.38 1.81 -0.67 -5.09 118.95 115.82 3i7f s ARG 442 Ca 0.07 -1.11 -0.12 0.00 -1.72 0.00 0.00 55.73 52.84 3i7f s ARG 442 Cb 0.15 -2.41 0.18 0.00 -0.45 0.00 0.00 34.95 32.41 3i7f s ARG 442 CO 0.75 0.43 1.11 -2.14 -0.68 0.00 0.00 175.30 174.76 3i7f s PRO 443 N -3.30 0.61 0.54 3.54 0.02 -1.26 -4.92 135.00 130.22 3i7f s PRO 443 Ca 0.30 0.44 0.34 0.00 0.02 0.00 0.00 61.00 62.11 3i7f s PRO 443 Cb -0.09 -1.76 1.52 0.00 0.02 0.00 0.00 34.50 34.19 3i7f s PRO 443 CO 0.21 -2.59 2.02 0.27 -0.33 0.00 0.00 177.00 176.58 3i7f h PHE 444 N -1.79 0.00 -0.00 6.54 -5.15 -1.93 -1.78 116.94 112.82 3i7f h PHE 444 Ca -0.54 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.23 3i7f h PHE 444 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.50 3i7f h PHE 444 CO 0.29 0.00 -0.01 2.48 -2.00 0.00 0.00 178.31 179.07 3i7f n TYR 445 N -2.98 0.00 -2.56 6.09 0.18 -1.26 -4.58 117.16 112.05 3i7f n TYR 445 Ca 0.00 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.36 3i7f n TYR 445 Cb 0.25 -0.11 -0.03 0.00 -0.38 0.00 0.00 39.34 39.07 3i7f n TYR 445 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 3i7f s THR 446 N -2.22 4.30 -0.13 -3.48 2.01 -0.67 -0.41 115.64 115.04 3i7f s THR 446 Ca 0.40 1.75 -0.29 0.00 0.31 0.00 0.00 61.69 63.85 3i7f s THR 446 Cb 0.21 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 3i7f s THR 446 CO 0.41 0.19 1.18 -0.32 -0.69 0.00 0.00 174.62 175.38 3i7f s MET 447 N 0.60 4.30 0.70 4.92 1.75 -0.42 -4.71 119.30 126.45 3i7f s MET 447 Ca 0.53 1.59 -0.12 0.00 -1.25 0.00 0.00 55.69 56.44 3i7f s MET 447 Cb -0.26 -3.64 0.02 0.00 2.84 0.00 0.00 34.83 33.78 3i7f s MET 447 CO 0.30 -0.55 1.08 -1.25 -0.65 0.00 0.00 175.02 173.95 3i7f s PRO 448 N 2.79 2.76 0.28 4.11 0.04 -1.26 0.43 135.00 144.16 3i7f s PRO 448 Ca 0.53 1.12 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 3i7f s PRO 448 Cb -0.21 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 3i7f s PRO 448 CO 0.16 -1.25 1.14 0.34 0.04 0.00 0.00 177.00 177.43 3i7f s ASP 449 N -3.33 7.18 0.32 6.66 2.15 -0.88 -4.46 116.67 124.31 3i7f s ASP 449 Ca 0.61 2.34 0.06 0.00 0.43 0.00 0.00 52.55 55.98 3i7f s ASP 449 Cb -0.16 -2.63 0.56 0.00 -0.30 0.00 0.00 42.92 40.38 3i7f s ASP 449 CO 0.50 -0.21 1.80 -0.29 -0.17 0.00 0.00 175.17 176.80 3i7f h ILE 450 N 3.11 1.24 0.03 4.11 6.09 -1.94 -3.14 117.51 127.01 3i7f h ILE 450 Ca -0.47 -1.10 -0.22 0.00 -1.37 0.00 0.00 64.86 61.70 3i7f h ILE 450 Cb 1.21 1.31 -0.02 0.00 0.47 0.00 0.00 36.82 39.80 3i7f h ILE 450 CO 0.67 0.35 -1.01 0.44 -3.07 0.00 0.00 178.15 175.52 3i7f h ASP 451 N 0.34 0.16 -1.70 2.19 3.32 -1.97 -3.44 116.42 115.32 3i7f h ASP 451 Ca 0.06 -0.16 -0.16 0.00 0.02 0.00 0.00 57.03 56.79 3i7f h ASP 451 Cb 0.56 -0.05 -0.28 0.00 0.22 0.00 0.00 39.33 39.77 3i7f h ASP 451 CO 0.04 1.07 -0.50 -0.62 -1.72 0.00 0.00 179.24 177.50 3i7f s ASP 452 N -6.87 0.19 0.00 6.45 3.68 -1.19 -5.02 116.67 113.90 3i7f s ASP 452 Ca -0.01 -0.12 0.10 0.00 2.13 0.00 0.00 52.55 54.64 3i7f s ASP 452 Cb 0.09 1.19 0.43 0.00 -1.45 0.00 0.00 42.92 43.19 3i7f s ASP 452 CO 0.83 -0.33 1.29 -0.81 0.13 0.00 0.00 175.17 176.28 3i7f n PRO 453 N 5.36 0.03 0.19 4.34 -0.04 -1.23 -0.66 135.00 142.99 3i7f n PRO 453 Ca -0.01 0.31 0.14 0.00 -0.04 0.00 0.00 63.50 63.91 3i7f n PRO 453 Cb 0.50 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.04 3i7f n PRO 453 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3i7f h ASN 454 N 0.00 0.00 -1.17 3.54 2.35 -1.95 -3.42 115.58 114.92 3i7f h ASN 454 Ca 0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 3i7f h ASN 454 Cb 0.15 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.46 3i7f h ASN 454 CO 0.00 0.00 -0.40 -0.31 -1.65 0.00 0.00 177.43 175.07 3i7f s TYR 455 N -3.48 2.27 0.20 1.19 2.02 0.16 -0.49 117.35 119.22 3i7f s TYR 455 Ca 0.03 -0.67 -0.07 0.00 -0.37 0.00 0.00 57.07 55.99 3i7f s TYR 455 Cb 0.09 -1.98 -0.02 0.00 -0.40 0.00 0.00 41.96 39.65 3i7f s TYR 455 CO 0.45 -0.11 0.27 -1.54 -1.57 0.00 0.00 175.55 173.05 3i7f s SER 456 N -4.08 0.06 -1.31 2.29 1.04 0.06 -2.07 113.70 109.69 3i7f s SER 456 Ca 0.39 -1.10 -0.10 0.00 0.48 0.00 0.00 55.95 55.62 3i7f s SER 456 Cb 0.00 0.45 0.15 0.00 0.10 0.00 0.00 66.02 66.72 3i7f s SER 456 CO 0.22 -0.94 1.94 0.59 0.98 0.00 0.00 173.24 176.04 3i7f n ASN 457 N -0.27 5.00 -4.18 7.02 3.02 0.17 -3.86 115.26 122.16 3i7f n ASN 457 Ca -0.02 -3.08 -0.11 0.00 -0.03 0.00 0.00 54.58 51.34 3i7f n ASN 457 Cb 0.64 -1.50 -0.10 0.00 -0.61 0.00 0.00 39.78 38.21 3i7f n ASN 457 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i7f s SER 458 N 1.14 0.21 0.05 6.41 1.04 -1.26 -0.40 113.70 120.89 3i7f s SER 458 Ca 0.41 -1.31 -0.26 0.00 0.48 0.00 0.00 55.95 55.26 3i7f s SER 458 Cb 0.11 0.35 0.07 0.00 0.10 0.00 0.00 66.02 66.64 3i7f s SER 458 CO -0.01 -0.80 0.62 -0.72 0.98 0.00 0.00 173.24 173.31 3i7f s TYR 459 N -4.11 -0.57 0.07 5.02 -0.85 -0.31 -0.96 117.35 115.63 3i7f s TYR 459 Ca 0.33 0.69 0.07 0.00 -0.52 0.00 0.00 57.07 57.64 3i7f s TYR 459 Cb 0.07 0.46 -0.03 0.00 0.38 0.00 0.00 41.96 42.84 3i7f s TYR 459 CO 0.08 -0.71 -0.20 -0.51 -1.52 0.00 0.00 175.55 172.69 3i7f s ASP 460 N -1.95 2.44 0.01 -0.18 1.11 -0.48 -1.42 116.67 116.20 3i7f s ASP 460 Ca -0.05 -0.59 0.05 0.00 0.18 0.00 0.00 52.55 52.14 3i7f s ASP 460 Cb -0.01 -0.17 -0.03 0.00 1.07 0.00 0.00 42.92 43.78 3i7f s ASP 460 CO -0.01 0.11 -0.13 -0.69 1.18 0.00 0.00 175.17 175.63 3i7f s VAL 461 N -0.96 3.19 -0.03 -1.27 1.01 -0.60 -0.70 120.40 121.04 3i7f s VAL 461 Ca 0.06 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3i7f s VAL 461 Cb -0.09 -2.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 3i7f s VAL 461 CO 0.03 0.40 -0.13 -0.36 0.00 0.00 0.00 175.10 175.04 3i7f s PHE 462 N -0.92 1.33 -0.09 5.22 0.40 -0.07 -1.86 117.98 121.99 3i7f s PHE 462 Ca 0.15 -0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.17 3i7f s PHE 462 Cb -0.11 -0.91 0.01 0.00 0.51 0.00 0.00 43.02 42.52 3i7f s PHE 462 CO 0.05 -0.11 -0.18 0.08 0.70 0.00 0.00 175.22 175.76 3i7f s VAL 463 N 0.02 1.63 -1.47 -0.44 1.01 0.23 -2.32 120.40 119.08 3i7f s VAL 463 Ca -0.02 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 3i7f s VAL 463 Cb -0.09 -1.45 0.05 0.00 0.00 0.00 0.00 36.38 34.89 3i7f s VAL 463 CO 0.01 0.47 0.67 0.54 0.00 0.00 0.00 175.10 176.79 3i7f n ARG 464 N 3.77 -4.11 -1.56 2.72 1.74 -0.50 -1.78 116.66 116.95 3i7f n ARG 464 Ca -0.20 0.49 -0.16 0.00 -0.77 0.00 0.00 57.85 57.20 3i7f n ARG 464 Cb 0.52 -4.99 -0.06 0.00 -1.02 0.00 0.00 32.46 26.91 3i7f n ARG 464 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i7f n GLY 465 N -1.72 1.46 3.01 -0.13 0.00 -1.26 -4.93 105.19 101.62 3i7f n GLY 465 Ca -0.16 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 3i7f n GLY 465 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i7f s GLN 466 N -3.53 0.47 0.09 1.61 -0.21 -0.74 -3.22 119.66 114.13 3i7f s GLN 466 Ca 0.00 -0.47 -0.31 0.00 0.02 0.00 0.00 55.36 54.60 3i7f s GLN 466 Cb 0.00 -0.34 -0.08 0.00 1.00 0.00 0.00 33.01 33.58 3i7f s GLN 466 CO 0.00 0.08 1.56 -2.00 -2.12 0.00 0.00 175.29 172.80 3i7f s GLU 467 N -0.85 4.23 -0.07 2.91 2.12 -1.26 -0.60 118.70 125.19 3i7f s GLU 467 Ca -0.04 2.24 0.08 0.00 0.36 0.00 0.00 54.97 57.62 3i7f s GLU 467 Cb -0.06 -3.44 -0.12 0.00 0.26 0.00 0.00 34.13 30.78 3i7f s GLU 467 CO 0.00 -0.64 0.08 0.44 -0.54 0.00 0.00 175.26 174.60 3i7f n ILE 468 N 4.42 0.43 -3.81 -3.70 -5.35 -0.78 -4.90 119.36 105.68 3i7f n ILE 468 Ca 0.14 -0.33 -0.10 0.00 -0.27 0.00 0.00 62.75 62.20 3i7f n ILE 468 Cb 0.41 -0.48 -0.06 0.00 -1.74 0.00 0.00 39.64 37.77 3i7f n ILE 468 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3i7f s THR 469 N -2.33 0.08 -0.05 7.28 -4.23 -1.22 -2.10 115.64 113.08 3i7f s THR 469 Ca -0.04 -1.01 -0.06 0.00 -1.18 0.00 0.00 61.69 59.40 3i7f s THR 469 Cb 0.03 -1.50 0.01 0.00 1.34 0.00 0.00 72.50 72.39 3i7f s THR 469 CO 0.36 -0.35 0.16 -0.55 -0.54 0.00 0.00 174.62 173.71 3i7f s SER 470 N -2.88 -0.12 0.27 3.99 0.15 -0.95 -1.55 113.70 112.61 3i7f s SER 470 Ca 0.09 0.19 -0.20 0.00 0.70 0.00 0.00 55.95 56.73 3i7f s SER 470 Cb 0.02 0.31 0.06 0.00 -1.71 0.00 0.00 66.02 64.70 3i7f s SER 470 CO -0.06 -0.15 0.88 -0.83 1.20 0.00 0.00 173.24 174.28 3i7f s GLY 471 N -0.33 0.12 -0.17 9.45 0.00 -0.50 -0.91 107.32 114.97 3i7f s GLY 471 Ca -0.04 -0.40 -0.31 0.00 0.00 0.00 0.00 44.72 43.96 3i7f s GLY 471 CO 0.01 0.58 1.11 0.00 0.00 0.00 0.00 173.10 174.79 3i7f s ALA 472 N -2.69 -1.99 0.37 3.20 0.00 -1.12 -1.17 121.76 118.36 3i7f s ALA 472 Ca 0.16 1.56 -0.26 0.00 0.00 0.00 0.00 51.96 53.42 3i7f s ALA 472 Cb -0.04 -0.54 -0.09 0.00 0.00 0.00 0.00 23.12 22.46 3i7f s ALA 472 CO 0.07 -0.43 1.15 -1.14 0.00 0.00 0.00 175.76 175.42 3i7f s GLN 473 N -1.75 4.23 0.29 0.00 0.74 0.47 -2.42 119.66 121.22 3i7f s GLN 473 Ca 0.04 1.83 0.10 0.00 0.05 0.00 0.00 55.36 57.38 3i7f s GLN 473 Cb -0.01 -2.81 -0.05 0.00 1.10 0.00 0.00 33.01 31.24 3i7f s GLN 473 CO -0.04 -0.17 -0.05 1.03 -0.55 0.00 0.00 175.29 175.52 3i7f s ARG 474 N -2.08 2.06 -0.22 1.67 0.52 -0.38 -1.30 118.95 119.22 3i7f s ARG 474 Ca 0.54 -1.61 -0.26 0.00 -0.52 0.00 0.00 55.73 53.87 3i7f s ARG 474 Cb -0.31 -1.99 -0.00 0.00 0.52 0.00 0.00 34.95 33.17 3i7f s ARG 474 CO 0.39 0.29 0.89 0.42 0.02 0.00 0.00 175.30 177.31 3i7f s ILE 475 N -2.43 4.80 -1.20 1.52 1.01 0.45 -4.57 121.20 120.77 3i7f s ILE 475 Ca 0.32 1.72 0.10 0.00 0.00 0.00 0.00 60.65 62.79 3i7f s ILE 475 Cb -0.04 -4.18 0.12 0.00 0.01 0.00 0.00 42.46 38.37 3i7f s ILE 475 CO 0.18 -0.09 0.90 0.00 0.00 0.00 0.00 174.94 175.94 3i7f n HIS 476 N 5.94 0.08 -3.47 3.97 1.44 -1.26 -4.89 115.22 117.03 3i7f n HIS 476 Ca 0.07 -0.09 -0.38 0.00 -2.01 0.00 0.00 57.72 55.31 3i7f n HIS 476 Cb 0.47 -0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.48 3i7f n HIS 476 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3i7f s ASP 477 N -0.88 6.18 0.19 4.39 2.15 -1.26 -4.73 116.67 122.72 3i7f s ASP 477 Ca 0.14 0.19 -0.09 0.00 0.43 0.00 0.00 52.55 53.22 3i7f s ASP 477 Cb 0.09 -2.18 0.11 0.00 -0.30 0.00 0.00 42.92 40.64 3i7f s ASP 477 CO 0.13 -0.12 1.72 1.55 -0.17 0.00 0.00 175.17 178.28 3i7f h PRO 478 N 8.14 1.08 0.14 4.34 0.13 -1.89 -0.42 132.00 143.53 3i7f h PRO 478 Ca -0.33 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 3i7f h PRO 478 Cb 1.17 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 3i7f h PRO 478 CO 0.62 0.94 -0.12 0.93 -0.23 0.00 0.00 178.00 180.14 3i7f h GLU 479 N 1.01 -0.27 -0.29 0.86 3.07 -1.96 -0.84 114.58 116.17 3i7f h GLU 479 Ca 0.22 0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 59.01 3i7f h GLU 479 Cb 0.33 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 3i7f h GLU 479 CO -0.00 -0.18 -0.20 0.35 -1.40 0.00 0.00 179.01 177.58 3i7f h PHE 480 N -0.28 0.58 -0.62 4.33 3.57 -1.97 -0.52 116.94 122.03 3i7f h PHE 480 Ca -0.00 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.35 3i7f h PHE 480 Cb 0.26 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 3i7f h PHE 480 CO -0.11 0.69 0.26 1.25 -2.23 0.00 0.00 178.31 178.18 3i7f h LEU 481 N 0.47 0.85 -0.97 0.59 5.85 -0.87 -1.32 115.31 119.92 3i7f h LEU 481 Ca 0.08 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 3i7f h LEU 481 Cb 0.61 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3i7f h LEU 481 CO 0.04 0.77 -0.24 -0.03 -0.34 0.00 0.00 178.44 178.65 3i7f h MET 482 N 0.87 0.47 -0.24 1.25 4.05 -0.70 -0.70 114.93 119.93 3i7f h MET 482 Ca 0.21 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 3i7f h MET 482 Cb 0.18 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 3i7f h MET 482 CO -0.02 0.68 0.08 0.87 0.23 0.00 0.00 176.91 178.75 3i7f h LYS 483 N 0.42 0.36 -0.13 0.39 6.56 -0.52 -1.85 116.57 121.80 3i7f h LYS 483 Ca 0.06 -0.07 -0.09 0.00 -1.06 0.00 0.00 60.65 59.49 3i7f h LYS 483 Cb 0.65 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.24 3i7f h LYS 483 CO 0.05 0.43 -0.34 0.00 -2.06 0.00 0.00 179.45 177.52 3i7f h ARG 484 N 0.22 0.25 -0.59 3.15 2.47 -1.19 -0.85 114.38 117.84 3i7f h ARG 484 Ca 0.08 -0.10 -0.05 0.00 -1.26 0.00 0.00 59.98 58.64 3i7f h ARG 484 Cb 0.21 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 3i7f h ARG 484 CO -0.00 0.57 0.16 0.00 0.56 0.00 0.00 179.97 181.25 3i7f h ILE 486 N 0.88 1.30 0.00 0.00 2.04 -0.97 0.10 117.51 120.86 3i7f h ILE 486 Ca 0.19 -2.10 -0.01 0.00 1.00 0.00 0.00 64.86 63.94 3i7f h ILE 486 Cb 0.29 2.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 3i7f h ILE 486 CO -0.00 0.65 -0.06 -0.33 0.00 0.00 0.00 178.15 178.41 3i7f h GLU 487 N 0.35 0.00 -0.64 2.37 5.08 -0.87 0.39 114.58 121.26 3i7f h GLU 487 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3i7f h GLU 487 Cb 1.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.77 3i7f h GLU 487 CO 0.17 0.06 0.00 1.63 -1.00 0.00 0.00 179.01 179.87 3i7f n LYS 488 N -4.04 3.33 -3.42 2.33 4.76 -0.55 -4.95 118.16 115.62 3i7f n LYS 488 Ca -0.03 -2.30 -0.21 0.00 -2.87 0.00 0.00 58.31 52.91 3i7f n LYS 488 Cb 0.14 -1.83 0.05 0.00 -1.84 0.00 0.00 35.03 31.56 3i7f n LYS 488 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i7f n GLY 489 N 0.88 -1.11 2.97 0.72 0.00 0.13 -5.02 105.19 103.75 3i7f n GLY 489 Ca 0.21 0.53 -0.20 0.00 0.00 0.00 0.00 46.02 46.55 3i7f n GLY 489 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i7f s VAL 490 N -3.38 0.73 -0.23 1.61 1.01 0.35 -5.02 120.40 115.48 3i7f s VAL 490 Ca 0.42 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 3i7f s VAL 490 Cb -0.10 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 3i7f s VAL 490 CO 0.79 0.25 1.37 -0.62 0.00 0.00 0.00 175.10 176.89 3i7f s ASP 491 N 0.47 6.70 0.39 3.32 -1.08 -1.26 -3.96 116.67 121.25 3i7f s ASP 491 Ca -0.07 1.51 0.08 0.00 -0.52 0.00 0.00 52.55 53.54 3i7f s ASP 491 Cb -0.11 -2.54 0.84 0.00 -1.46 0.00 0.00 42.92 39.65 3i7f s ASP 491 CO 0.01 -1.00 1.99 1.55 0.52 0.00 0.00 175.17 178.24 3i7f h PRO 492 N 9.25 0.61 -0.99 4.34 0.13 -1.93 -1.32 132.00 142.07 3i7f h PRO 492 Ca -0.29 -0.04 0.21 0.00 -0.87 0.00 0.00 66.00 65.01 3i7f h PRO 492 Cb 1.12 -0.14 -0.10 0.00 0.13 0.00 0.00 31.00 32.01 3i7f h PRO 492 CO 1.00 0.40 0.62 0.00 -0.23 0.00 0.00 178.00 179.79 3i7f h ALA 493 N 1.66 1.84 -0.47 -0.56 0.00 -1.98 -0.82 119.26 118.94 3i7f h ALA 493 Ca 0.26 0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.37 3i7f h ALA 493 Cb 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3i7f h ALA 493 CO -0.08 -0.21 0.35 1.15 0.00 0.00 0.00 179.25 180.46 3i7f h THR 494 N 0.65 0.71 -1.34 0.00 2.02 -1.63 -3.13 112.91 110.18 3i7f h THR 494 Ca 0.57 0.00 -0.41 0.00 0.77 0.00 0.00 66.41 67.34 3i7f h THR 494 Cb 1.05 0.75 -0.40 0.00 -1.74 0.00 0.00 68.15 67.81 3i7f h THR 494 CO -0.34 0.00 -1.17 0.00 0.37 0.00 0.00 175.52 174.38 3i7f n LEU 495 N -4.30 1.45 0.09 2.58 -0.00 -0.34 -4.96 117.00 111.52 3i7f n LEU 495 Ca 0.08 -4.19 -0.14 0.00 -0.00 0.00 0.00 56.01 51.77 3i7f n LEU 495 Cb 0.56 0.46 -0.09 0.00 -0.00 0.00 0.00 43.42 44.35 3i7f n LEU 495 CO 0.35 1.82 0.51 0.50 -0.00 0.00 0.00 177.39 180.57 3i7f h LYS 496 N 2.98 -0.61 -1.00 1.47 3.64 -1.43 -2.08 116.57 119.53 3i7f h LYS 496 Ca -0.02 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.52 3i7f h LYS 496 Cb 1.10 0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.97 3i7f h LYS 496 CO 0.52 -0.41 0.63 -0.44 -2.27 0.00 0.00 179.45 177.48 3i7f h ASP 497 N -0.64 0.91 0.11 4.20 3.32 -1.90 0.28 116.42 122.71 3i7f h ASP 497 Ca -0.00 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3i7f h ASP 497 Cb 0.65 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3i7f h ASP 497 CO -0.26 0.48 -0.05 0.22 -1.72 0.00 0.00 179.24 177.91 3i7f h TYR 498 N 0.98 -0.14 -0.48 4.55 3.20 -1.89 -1.54 116.97 121.64 3i7f h TYR 498 Ca 0.50 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.35 3i7f h TYR 498 Cb 0.51 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 3i7f h TYR 498 CO -0.00 0.04 0.22 0.82 -1.64 0.00 0.00 178.16 177.60 3i7f h ILE 499 N -0.29 1.19 0.00 1.81 2.04 -0.50 -2.67 117.51 119.09 3i7f h ILE 499 Ca -0.02 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 3i7f h ILE 499 Cb 0.24 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3i7f h ILE 499 CO 0.03 0.22 -0.06 -0.33 0.00 0.00 0.00 178.15 178.00 3i7f h GLU 500 N 0.63 0.00 0.00 2.37 5.08 -0.38 -2.32 114.58 119.96 3i7f h GLU 500 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3i7f h GLU 500 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3i7f h GLU 500 CO -0.02 0.06 0.00 -1.13 -1.00 0.00 0.00 179.01 176.92 3i7f n SER 501 N -3.33 0.00 -1.26 1.42 3.41 -0.59 -2.65 113.62 110.61 3i7f n SER 501 Ca -0.01 0.27 0.10 0.00 -0.26 0.00 0.00 58.87 58.97 3i7f n SER 501 Cb 0.23 -0.40 0.29 0.00 -0.26 0.00 0.00 64.21 64.08 3i7f n SER 501 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3i7f n PHE 502 N -1.40 0.98 0.07 7.33 3.72 -0.87 -4.57 117.46 122.72 3i7f n PHE 502 Ca 0.07 -0.46 -0.03 0.00 -0.05 0.00 0.00 57.45 56.98 3i7f n PHE 502 Cb 0.19 -0.05 -0.06 0.00 -0.94 0.00 0.00 39.48 38.61 3i7f n PHE 502 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i7f h ARG 503 N 3.76 0.00 -2.06 -1.08 3.08 -1.70 -3.40 114.38 112.98 3i7f h ARG 503 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 3i7f h ARG 503 Cb 0.98 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.67 3i7f h ARG 503 CO 0.05 0.63 0.10 1.19 -1.07 0.00 0.00 179.97 180.87 3i7f n PHE 504 N -3.19 3.38 -0.49 3.04 3.72 -1.26 -4.92 117.46 117.74 3i7f n PHE 504 Ca -0.03 -3.12 0.00 0.00 -0.05 0.00 0.00 57.45 54.25 3i7f n PHE 504 Cb 0.86 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 3i7f n PHE 504 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i7f n GLY 505 N -0.30 -3.70 2.79 1.37 0.00 -1.26 -5.07 105.19 99.02 3i7f n GLY 505 Ca 0.41 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 3i7f n GLY 505 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7f s SER 506 N -0.32 1.05 0.26 1.61 0.15 -1.26 -5.01 113.70 110.18 3i7f s SER 506 Ca 0.00 0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.48 3i7f s SER 506 Cb 0.00 0.22 -0.10 0.00 -1.71 0.00 0.00 66.02 64.43 3i7f s SER 506 CO 0.00 -0.27 1.39 0.26 1.20 0.00 0.00 173.24 175.81 3i7f s TRP 507 N 2.28 3.07 0.27 3.44 0.52 -1.26 -4.94 118.94 122.31 3i7f s TRP 507 Ca 0.04 1.15 -0.31 0.00 0.02 0.00 0.00 56.10 57.00 3i7f s TRP 507 Cb -0.13 -3.75 -0.11 0.00 -1.15 0.00 0.00 33.47 28.33 3i7f s TRP 507 CO -0.07 -2.34 1.62 -2.14 0.02 0.00 0.00 176.95 174.04 3i7f s PRO 508 N -0.64 4.13 0.12 4.98 0.02 -1.26 -4.86 135.00 137.49 3i7f s PRO 508 Ca 0.56 2.57 -0.11 0.00 0.02 0.00 0.00 61.00 64.05 3i7f s PRO 508 Cb -0.40 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 31.08 3i7f s PRO 508 CO 0.44 -0.66 0.27 -3.38 -0.33 0.00 0.00 177.00 173.35 3i7f s HIS 509 N 0.33 0.10 0.30 6.54 -3.43 -1.26 -0.35 115.29 117.51 3i7f s HIS 509 Ca 0.66 -0.49 -0.06 0.00 -0.80 0.00 0.00 55.06 54.37 3i7f s HIS 509 Cb -0.48 0.04 -0.00 0.00 -1.43 0.00 0.00 32.58 30.70 3i7f s HIS 509 CO 0.43 -0.63 0.45 0.00 -2.00 0.00 0.00 174.74 172.99 3i7f s ALA 510 N -3.87 0.45 0.00 -1.38 0.00 -0.82 -1.25 121.76 114.90 3i7f s ALA 510 Ca 0.07 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.71 3i7f s ALA 510 Cb 0.04 1.14 0.00 0.00 0.00 0.00 0.00 23.12 24.30 3i7f s ALA 510 CO -0.09 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.29 3i7f n GLY 511 N -0.47 1.03 3.32 0.00 0.00 -1.02 -1.20 105.19 106.85 3i7f n GLY 511 Ca -0.00 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 3i7f n GLY 511 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7f s GLY 513 N -0.81 1.10 -0.05 0.00 0.00 -0.09 -1.82 107.32 105.65 3i7f s GLY 513 Ca -0.09 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.54 3i7f s GLY 513 CO 0.04 0.99 0.02 -0.42 0.00 0.00 0.00 173.10 173.73 3i7f s ILE 514 N 1.54 4.37 -0.21 0.90 1.01 0.62 -2.24 121.20 127.19 3i7f s ILE 514 Ca -0.03 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 3i7f s ILE 514 Cb -0.17 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 3i7f s ILE 514 CO -0.07 0.50 0.47 -0.83 0.00 0.00 0.00 174.94 175.00 3i7f s GLY 515 N -1.23 2.03 0.03 6.18 0.00 -0.89 -0.58 107.32 112.86 3i7f s GLY 515 Ca 0.17 -0.50 -0.27 0.00 0.00 0.00 0.00 44.72 44.11 3i7f s GLY 515 CO 0.07 1.00 1.33 -2.00 0.00 0.00 0.00 173.10 173.50 3i7f h LEU 516 N 7.99 -0.55 -1.24 0.66 5.85 -1.52 -1.83 115.31 124.68 3i7f h LEU 516 Ca -0.34 -0.07 0.25 0.00 0.84 0.00 0.00 57.88 58.57 3i7f h LEU 516 Cb 1.16 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 42.23 3i7f h LEU 516 CO 0.72 -0.23 0.64 -0.33 -0.34 0.00 0.00 178.44 178.90 3i7f h GLU 517 N -0.87 0.46 -0.14 1.25 3.07 -1.87 -1.89 114.58 114.59 3i7f h GLU 517 Ca -0.07 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.68 3i7f h GLU 517 Cb 0.58 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3i7f h GLU 517 CO 0.11 0.31 -0.23 -0.09 -1.40 0.00 0.00 179.01 177.70 3i7f h ARG 518 N 0.48 0.41 -0.48 2.33 9.65 -1.90 -1.08 114.38 123.79 3i7f h ARG 518 Ca 0.60 -0.25 -0.11 0.00 -1.10 0.00 0.00 59.98 59.12 3i7f h ARG 518 Cb 1.37 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.96 3i7f h ARG 518 CO -0.35 0.84 -0.14 0.97 2.80 0.00 0.00 179.97 184.10 3i7f h ILE 519 N 0.03 1.27 -0.07 1.20 2.10 -0.62 -1.21 117.51 120.20 3i7f h ILE 519 Ca 0.01 -1.26 -0.12 0.00 1.08 0.00 0.00 64.86 64.57 3i7f h ILE 519 Cb 0.81 1.04 0.01 0.00 -1.09 0.00 0.00 36.82 37.58 3i7f h ILE 519 CO 0.05 0.44 -0.44 0.00 -1.08 0.00 0.00 178.15 177.12 3i7f h THR 520 N 0.81 1.40 -0.29 2.19 1.03 -1.38 0.17 112.91 116.84 3i7f h THR 520 Ca 0.13 -1.83 0.07 0.00 -0.01 0.00 0.00 66.41 64.77 3i7f h THR 520 Cb 0.67 2.32 -0.07 0.00 -1.07 0.00 0.00 68.15 70.00 3i7f h THR 520 CO 0.05 0.54 -0.17 -0.03 -0.01 0.00 0.00 175.52 175.90 3i7f h MET 521 N -0.03 -0.13 -0.02 0.00 1.85 -1.19 -1.96 114.93 113.46 3i7f h MET 521 Ca -0.03 0.01 -0.15 0.00 -0.61 0.00 0.00 59.70 58.91 3i7f h MET 521 Cb 1.10 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 33.14 3i7f h MET 521 CO 0.09 -0.09 -0.68 -0.07 -0.40 0.00 0.00 176.91 175.76 3i7f h LEU 522 N -0.13 0.10 -0.39 3.39 3.38 -1.19 -1.56 115.31 118.91 3i7f h LEU 522 Ca 0.15 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3i7f h LEU 522 Cb 0.37 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3i7f h LEU 522 CO -0.37 0.75 0.22 0.22 0.09 0.00 0.00 178.44 179.35 3i7f h TYR 523 N 0.06 0.40 -0.19 1.13 3.20 -0.31 -3.01 116.97 118.26 3i7f h TYR 523 Ca -0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3i7f h TYR 523 Cb 1.21 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.36 3i7f h TYR 523 CO 0.01 0.23 0.00 1.28 -1.64 0.00 0.00 178.16 178.04 3i7f n LEU 524 N -4.89 1.87 -1.12 2.82 4.77 -0.77 -4.58 117.00 115.10 3i7f n LEU 524 Ca 0.01 -0.79 -0.14 0.00 -0.03 0.00 0.00 56.01 55.06 3i7f n LEU 524 Cb 0.07 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 3i7f n LEU 524 CO 0.32 0.39 -0.14 0.61 -1.33 0.00 0.00 177.39 177.24 3i7f n GLY 525 N 1.17 1.43 3.71 -0.72 0.00 -0.84 -4.75 105.19 105.19 3i7f n GLY 525 Ca 0.16 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3i7f n GLY 525 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i7f s ILE 526 N -2.54 4.93 0.03 -0.61 1.01 -0.65 -4.99 121.20 118.39 3i7f s ILE 526 Ca 0.00 1.78 0.10 0.00 0.00 0.00 0.00 60.65 62.53 3i7f s ILE 526 Cb 0.00 -4.20 -0.14 0.00 0.01 0.00 0.00 42.46 38.13 3i7f s ILE 526 CO 0.00 0.17 1.27 1.55 0.00 0.00 0.00 174.94 177.93 3i7f h PRO 527 N 6.85 0.00 -5.05 2.79 0.13 -1.94 -3.42 132.00 131.36 3i7f h PRO 527 Ca -0.39 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.10 3i7f h PRO 527 Cb 1.20 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 3i7f h PRO 527 CO 0.77 0.82 -0.56 1.21 -0.23 0.00 0.00 178.00 180.01 3i7f s ASN 528 N -6.58 5.69 0.51 1.44 3.84 -1.26 -4.85 114.94 113.72 3i7f s ASN 528 Ca 0.01 -0.02 0.24 0.00 0.21 0.00 0.00 52.86 53.30 3i7f s ASN 528 Cb 0.09 -2.02 1.37 0.00 -0.55 0.00 0.00 41.25 40.14 3i7f s ASN 528 CO 0.80 0.04 2.07 -0.29 -2.79 0.00 0.00 177.10 176.93 3i7f h ILE 529 N 5.22 0.72 0.00 -5.21 2.10 -1.86 -2.39 117.51 116.09 3i7f h ILE 529 Ca -0.37 -0.49 -0.03 0.00 1.08 0.00 0.00 64.86 65.05 3i7f h ILE 529 Cb 1.18 1.30 -0.00 0.00 -1.09 0.00 0.00 36.82 38.20 3i7f h ILE 529 CO 0.62 0.12 -0.14 0.03 -1.08 0.00 0.00 178.15 177.70 3i7f h ARG 530 N 0.00 0.00 0.00 2.19 3.08 -1.92 -1.54 114.38 116.19 3i7f h ARG 530 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i7f h ARG 530 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3i7f h ARG 530 CO 0.02 0.14 0.00 0.87 -1.07 0.00 0.00 179.97 179.92 3i7f h LYS 531 N 0.00 0.00 -0.18 0.04 1.57 -1.86 -3.05 116.57 113.10 3i7f h LYS 531 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i7f h LYS 531 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3i7f h LYS 531 CO 0.02 0.00 0.00 0.28 -0.57 0.00 0.00 179.45 179.18 3i7f n VAL 532 N -2.37 0.69 -4.87 0.50 0.31 -0.60 -4.93 118.33 107.05 3i7f n VAL 532 Ca 0.02 -0.84 -0.33 0.00 -0.01 0.00 0.00 64.34 63.18 3i7f n VAL 532 Cb 0.27 0.71 -0.13 0.00 -0.91 0.00 0.00 33.84 33.78 3i7f n VAL 532 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3i7f s THR 533 N -0.90 3.04 -0.02 2.52 -4.23 -1.07 -4.80 115.64 110.19 3i7f s THR 533 Ca 0.14 -0.71 -0.24 0.00 -1.18 0.00 0.00 61.69 59.70 3i7f s THR 533 Cb 0.08 -2.21 -0.18 0.00 1.34 0.00 0.00 72.50 71.53 3i7f s THR 533 CO 0.11 0.57 1.15 0.25 -0.54 0.00 0.00 174.62 176.17 3i7f h LEU 534 N 5.71 -0.18 -7.10 4.79 5.85 -1.92 -3.35 115.31 119.12 3i7f h LEU 534 Ca -0.41 -0.33 -0.62 0.00 0.84 0.00 0.00 57.88 57.36 3i7f h LEU 534 Cb 1.17 0.05 -0.41 0.00 0.37 0.00 0.00 40.66 41.83 3i7f h LEU 534 CO 0.52 0.27 -0.63 -0.36 -0.34 0.00 0.00 178.44 177.89 3i7f s PHE 535 N -4.20 3.13 -0.06 1.25 0.08 -1.26 -5.03 117.98 111.89 3i7f s PHE 535 Ca -0.14 -3.14 -0.39 0.00 0.12 0.00 0.00 56.93 53.38 3i7f s PHE 535 Cb 0.02 -2.52 -0.18 0.00 -0.57 0.00 0.00 43.02 39.76 3i7f s PHE 535 CO 0.57 -0.64 1.34 -2.30 -0.10 0.00 0.00 175.22 174.09 3i7f n PRO 536 N 2.48 0.65 -5.07 0.24 -0.02 -1.26 -4.98 135.00 127.04 3i7f n PRO 536 Ca 0.16 0.24 -0.30 0.00 -2.02 0.00 0.00 63.50 61.57 3i7f n PRO 536 Cb 0.35 -1.82 -0.17 0.00 -0.02 0.00 0.00 33.50 31.84 3i7f n PRO 536 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i7f s ARG 537 N 1.06 2.67 0.19 -0.52 1.81 -1.26 -4.79 118.95 118.10 3i7f s ARG 537 Ca 0.91 -0.77 -0.23 0.00 -1.72 0.00 0.00 55.73 53.92 3i7f s ARG 537 Cb -1.13 -2.07 0.07 0.00 -0.45 0.00 0.00 34.95 31.37 3i7f s ARG 537 CO 0.57 0.17 0.96 0.16 -0.68 0.00 0.00 175.30 176.48 3i7f s ASP 538 N 0.35 -0.10 0.48 0.23 1.47 -1.14 -4.41 116.67 113.54 3i7f s ASP 538 Ca -0.16 -0.58 0.20 0.00 1.18 0.00 0.00 52.55 53.19 3i7f s ASP 538 Cb -0.17 0.54 1.19 0.00 -0.34 0.00 0.00 42.92 44.14 3i7f s ASP 538 CO 0.07 -1.03 2.02 -0.65 0.68 0.00 0.00 175.17 176.26 3i7f h PRO 539 N 2.00 0.00 -0.00 2.11 0.11 -1.98 -2.20 132.00 132.03 3i7f h PRO 539 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3i7f h PRO 539 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3i7f h PRO 539 CO 0.30 0.16 -0.33 0.44 -0.21 0.00 0.00 178.00 178.37 3i7f n ILE 540 N -4.02 0.00 -3.73 4.15 -5.35 -1.26 -4.84 119.36 104.32 3i7f n ILE 540 Ca -0.02 -0.04 -0.28 0.00 -0.27 0.00 0.00 62.75 62.14 3i7f n ILE 540 Cb 0.25 0.15 -0.16 0.00 -1.74 0.00 0.00 39.64 38.13 3i7f n ILE 540 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3i7f s ARG 541 N -2.81 0.64 -0.20 6.28 0.52 -0.83 -4.99 118.95 117.56 3i7f s ARG 541 Ca 0.17 -0.50 -0.16 0.00 -0.52 0.00 0.00 55.73 54.72 3i7f s ARG 541 Cb 0.18 -2.06 -0.08 0.00 0.52 0.00 0.00 34.95 33.52 3i7f s ARG 541 CO 0.61 -0.70 -0.27 1.28 0.02 0.00 0.00 175.30 176.24 3i7f n LEU 542 N 5.04 1.91 -4.79 2.53 4.77 -1.26 -2.91 117.00 122.29 3i7f n LEU 542 Ca -0.08 0.40 -0.33 0.00 -0.03 0.00 0.00 56.01 55.97 3i7f n LEU 542 Cb 0.46 -0.81 0.04 0.00 -2.33 0.00 0.00 43.42 40.78 3i7f n LEU 542 CO 0.12 -0.06 0.73 0.20 -1.33 0.00 0.00 177.39 177.05 3i7f s ASN 543 N -6.34 5.35 0.00 -1.43 -0.87 -1.26 -5.00 114.94 105.39 3i7f s ASN 543 Ca -0.29 1.90 0.29 0.00 -1.57 0.00 0.00 52.86 53.19 3i7f s ASN 543 Cb 0.06 -2.54 1.20 0.00 -0.02 0.00 0.00 41.25 39.95 3i7f s ASN 543 CO 0.42 -1.46 1.83 -0.81 -2.57 0.00 0.00 177.10 174.51