#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m7i h ILE 3 N 0.00 1.36 -0.25 1.53 1.08 -2.03 -2.07 117.51 117.12 3m7i h ILE 3 Ca 0.00 -2.23 -0.12 0.00 -0.39 0.00 0.00 64.86 62.12 3m7i h ILE 3 Cb 0.00 2.23 -0.00 0.00 -3.07 0.00 0.00 36.82 35.97 3m7i h ILE 3 CO 0.00 0.68 -0.31 1.56 -0.69 0.00 0.00 178.15 179.39 3m7i h GLN 4 N 0.32 0.65 -0.36 2.37 7.50 -2.05 -0.97 115.11 122.56 3m7i h GLN 4 Ca -0.06 -0.37 -0.06 0.00 0.50 0.00 0.00 58.65 58.67 3m7i h GLN 4 Cb 1.46 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 29.00 3m7i h GLN 4 CO 0.15 0.98 0.01 0.97 -1.50 0.00 0.00 178.83 179.44 3m7i h ILE 5 N 0.37 1.26 -0.62 2.54 6.09 -1.99 -2.20 117.51 122.96 3m7i h ILE 5 Ca 0.03 -0.97 -0.06 0.00 -1.37 0.00 0.00 64.86 62.50 3m7i h ILE 5 Cb 0.88 1.18 -0.03 0.00 0.47 0.00 0.00 36.82 39.32 3m7i h ILE 5 CO 0.07 0.32 0.16 -0.07 -3.07 0.00 0.00 178.15 175.56 3m7i h LEU 6 N 0.45 0.90 -0.57 2.19 3.38 -1.30 0.98 115.31 121.34 3m7i h LEU 6 Ca 0.10 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3m7i h LEU 6 Cb 0.45 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3m7i h LEU 6 CO 0.02 0.87 0.12 -0.61 0.09 0.00 0.00 178.44 178.92 3m7i h GLN 7 N 0.92 0.92 -0.30 1.13 4.15 -1.10 0.91 115.11 121.73 3m7i h GLN 7 Ca 0.20 -0.23 -0.10 0.00 0.77 0.00 0.00 58.65 59.29 3m7i h GLN 7 Cb 0.32 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 3m7i h GLN 7 CO -0.00 0.87 -0.20 1.49 -1.93 0.00 0.00 178.83 179.05 3m7i h GLU 8 N 0.82 0.66 0.08 1.69 4.81 -0.74 -0.65 114.58 121.26 3m7i h GLU 8 Ca 0.18 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3m7i h GLU 8 Cb 0.37 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 3m7i h GLU 8 CO 0.01 0.91 -0.29 1.96 -0.73 0.00 0.00 179.01 180.87 3m7i h GLN 9 N 0.41 -0.47 -0.79 1.92 4.20 -0.69 0.05 115.11 119.75 3m7i h GLN 9 Ca 0.06 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.88 3m7i h GLN 9 Cb 0.75 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.57 3m7i h GLN 9 CO 0.06 -0.31 0.45 0.00 -0.67 0.00 0.00 178.83 178.36 3m7i h ALA 10 N 0.24 1.09 -0.01 3.87 0.00 -0.79 -1.51 119.26 122.15 3m7i h ALA 10 Ca 0.04 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3m7i h ALA 10 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3m7i h ALA 10 CO -0.20 0.11 -0.49 -0.91 0.00 0.00 0.00 179.25 177.77 3m7i h ASN 11 N 0.79 0.02 -0.36 0.00 2.35 -0.80 -0.01 115.58 117.56 3m7i h ASN 11 Ca 0.37 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.09 3m7i h ASN 11 Cb 0.28 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3m7i h ASN 11 CO -0.22 0.50 0.16 0.74 -1.65 0.00 0.00 177.43 176.97 3m7i h THR 12 N 0.01 1.17 -0.54 2.81 2.02 -0.30 -0.58 112.91 117.50 3m7i h THR 12 Ca -0.00 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 3m7i h THR 12 Cb 0.87 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3m7i h THR 12 CO 0.06 0.19 0.30 -0.07 0.37 0.00 0.00 175.52 176.37 3m7i h LEU 13 N 0.44 0.66 0.08 2.58 3.38 -0.98 -0.83 115.31 120.65 3m7i h LEU 13 Ca 0.12 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3m7i h LEU 13 Cb 0.14 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3m7i h LEU 13 CO -0.01 0.55 -0.14 0.03 0.09 0.00 0.00 178.44 178.96 3m7i h ARG 14 N 0.72 -0.27 0.00 1.13 3.08 -0.69 -1.00 114.38 117.36 3m7i h ARG 14 Ca 0.19 0.02 -0.14 0.00 0.07 0.00 0.00 59.98 60.12 3m7i h ARG 14 Cb 0.03 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3m7i h ARG 14 CO -0.03 -0.18 -0.65 0.74 -1.07 0.00 0.00 179.97 178.78 3m7i h PHE 15 N -0.28 0.00 -0.12 3.04 0.04 -0.97 -0.14 116.94 118.51 3m7i h PHE 15 Ca 0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3m7i h PHE 15 Cb 0.30 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 3m7i h PHE 15 CO -0.16 0.65 0.07 -0.07 -0.60 0.00 0.00 178.31 178.20 3m7i h LEU 16 N 0.00 0.14 -0.49 1.54 3.38 -1.09 -0.55 115.31 118.24 3m7i h LEU 16 Ca -0.01 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3m7i h LEU 16 Cb 1.50 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 3m7i h LEU 16 CO 0.08 0.13 0.28 0.28 0.09 0.00 0.00 178.44 179.31 3m7i h SER 17 N 0.14 0.45 -0.47 -0.43 0.02 -0.98 -2.87 113.55 109.40 3m7i h SER 17 Ca 0.04 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 3m7i h SER 17 Cb 0.02 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3m7i h SER 17 CO -0.01 0.31 -0.08 0.00 -1.14 0.00 0.00 176.83 175.91 3m7i h ALA 18 N 1.22 0.64 0.00 3.77 0.00 -0.93 -2.25 119.26 121.71 3m7i h ALA 18 Ca 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3m7i h ALA 18 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3m7i h ALA 18 CO -0.10 0.52 0.00 -0.25 0.00 0.00 0.00 179.25 179.42 3m7i n ASP 19 N -4.27 0.85 0.00 0.00 8.00 -0.22 -1.28 116.55 119.63 3m7i n ASP 19 Ca 0.00 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.79 3m7i n ASP 19 Cb 0.37 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 3m7i n ASP 19 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3m7i n VAL 21 N 0.68 0.00 -0.26 2.53 0.31 -0.85 -1.44 118.33 119.30 3m7i n VAL 21 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 3m7i n VAL 21 Cb 0.15 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.13 3m7i n VAL 21 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3m7i h GLN 22 N 0.00 1.11 -0.34 5.55 5.75 -1.45 -1.06 115.11 124.67 3m7i h GLN 22 Ca 0.00 -0.25 -0.15 0.00 -0.15 0.00 0.00 58.65 58.10 3m7i h GLN 22 Cb 0.00 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.39 3m7i h GLN 22 CO 0.00 0.96 -0.39 -0.22 -2.65 0.00 0.00 178.83 176.53 3m7i h LYS 23 N 1.05 0.87 0.00 1.69 3.64 -1.52 -2.08 116.57 120.23 3m7i h LYS 23 Ca 0.23 -0.48 -0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3m7i h LYS 23 Cb 0.32 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3m7i h LYS 23 CO -0.01 1.12 -0.02 0.00 -2.27 0.00 0.00 179.45 178.27 3m7i h ALA 24 N 0.74 1.03 -5.26 5.00 0.00 -1.79 -3.47 119.26 115.51 3m7i h ALA 24 Ca 0.05 -0.02 -0.40 0.00 0.00 0.00 0.00 54.91 54.54 3m7i h ALA 24 Cb 0.98 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3m7i h ALA 24 CO 0.09 0.03 -0.60 -1.71 0.00 0.00 0.00 179.25 177.06 3m7i n ASN 25 N -3.16 -4.67 -3.62 0.00 5.15 -0.43 -4.94 115.26 103.59 3m7i n ASN 25 Ca -0.01 -0.41 -0.11 0.00 -0.60 0.00 0.00 54.58 53.45 3m7i n ASN 25 Cb 0.24 -3.81 -0.07 0.00 -0.53 0.00 0.00 39.78 35.61 3m7i n ASN 25 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3m7i s SER 26 N -2.80 -0.51 0.00 1.20 0.15 -1.03 -4.88 113.70 105.84 3m7i s SER 26 Ca 0.41 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.93 3m7i s SER 26 Cb -0.20 0.85 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 3m7i s SER 26 CO 0.50 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.31 3m7i n GLY 27 N 1.91 0.42 2.92 9.45 0.00 -1.26 -4.55 105.19 114.08 3m7i n GLY 27 Ca -0.13 -2.22 -0.30 0.00 0.00 0.00 0.00 46.02 43.37 3m7i n GLY 27 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3m7i s HIS 28 N -0.48 3.05 -0.46 1.61 3.76 -1.26 -2.49 115.29 119.02 3m7i s HIS 28 Ca 0.00 -2.65 0.23 0.00 -0.15 0.00 0.00 55.06 52.50 3m7i s HIS 28 Cb 0.00 -2.53 0.19 0.00 1.11 0.00 0.00 32.58 31.35 3m7i s HIS 28 CO 0.00 -0.90 1.21 -1.00 -0.85 0.00 0.00 174.74 173.20 3m7i h PRO 29 N 7.58 0.00 0.33 8.40 0.13 -1.69 -3.40 132.00 143.35 3m7i h PRO 29 Ca -0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 3m7i h PRO 29 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3m7i h PRO 29 CO 0.52 0.00 -0.16 0.78 -0.23 0.00 0.00 178.00 178.91 3m7i h GLY 30 N 4.27 -0.47 1.01 1.56 0.00 -1.12 -2.37 103.07 105.95 3m7i h GLY 30 Ca 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 3m7i h GLY 30 CO 0.00 -0.17 0.39 0.00 0.00 0.00 0.00 176.54 176.76 3m7i h ALA 31 N -0.19 0.96 -0.59 3.60 0.00 -1.82 -1.03 119.26 120.19 3m7i h ALA 31 Ca -0.05 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.81 3m7i h ALA 31 Cb 0.50 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3m7i h ALA 31 CO 0.08 0.50 0.25 -1.35 0.00 0.00 0.00 179.25 178.72 3m7i h PRO 32 N 1.04 0.44 -0.49 0.00 0.11 -1.76 0.73 132.00 132.07 3m7i h PRO 32 Ca 0.26 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.24 3m7i h PRO 32 Cb 0.08 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 3m7i h PRO 32 CO -0.04 0.29 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.88 3m7i h LEU 33 N 0.45 0.90 -1.14 2.35 4.07 -1.13 -2.22 115.31 118.60 3m7i h LEU 33 Ca 0.29 -0.28 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 3m7i h LEU 33 Cb 0.31 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 3m7i h LEU 33 CO -0.26 1.01 -0.38 1.23 -1.08 0.00 0.00 178.44 178.96 3m7i h GLY 34 N 0.97 0.00 -0.09 0.83 0.00 -0.38 -3.24 103.07 101.16 3m7i h GLY 34 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3m7i h GLY 34 CO 0.04 0.00 -0.60 1.04 0.00 0.00 0.00 176.54 177.02 3m7i n LEU 35 N -3.76 1.24 -0.13 3.11 4.77 0.17 -4.56 117.00 117.84 3m7i n LEU 35 Ca -0.01 -0.45 -0.01 0.00 -0.03 0.00 0.00 56.01 55.51 3m7i n LEU 35 Cb 0.46 -0.07 0.24 0.00 -2.33 0.00 0.00 43.42 41.72 3m7i n LEU 35 CO 0.37 0.26 1.07 0.00 -1.33 0.00 0.00 177.39 177.76 3m7i h ALA 36 N 3.42 1.35 -0.23 -1.18 0.00 -1.43 -1.15 119.26 120.04 3m7i h ALA 36 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3m7i h ALA 36 Cb 0.58 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3m7i h ALA 36 CO 0.00 0.49 -0.05 -0.44 0.00 0.00 0.00 179.25 179.26 3m7i h ASP 37 N 0.82 0.43 -0.19 0.00 3.32 -1.81 -1.97 116.42 117.02 3m7i h ASP 37 Ca 0.20 -0.36 0.04 0.00 0.02 0.00 0.00 57.03 56.93 3m7i h ASP 37 Cb 0.14 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 3m7i h ASP 37 CO -0.02 0.69 -0.06 0.40 -1.72 0.00 0.00 179.24 178.53 3m7i h ILE 38 N 0.17 0.79 -0.27 0.35 2.04 -1.57 -2.45 117.51 116.57 3m7i h ILE 38 Ca 0.06 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.83 3m7i h ILE 38 Cb 0.50 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3m7i h ILE 38 CO 0.02 0.00 -0.22 0.25 0.00 0.00 0.00 178.15 178.20 3m7i h LEU 39 N -0.02 0.49 -0.51 1.44 5.85 -1.20 0.37 115.31 121.73 3m7i h LEU 39 Ca 0.09 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.73 3m7i h LEU 39 Cb 0.16 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3m7i h LEU 39 CO -0.20 0.72 0.18 0.28 -0.34 0.00 0.00 178.44 179.07 3m7i h SER 40 N 0.44 0.18 -0.23 1.25 0.02 -1.13 -0.22 113.55 113.87 3m7i h SER 40 Ca 0.07 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3m7i h SER 40 Cb 0.62 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 3m7i h SER 40 CO 0.04 0.13 -0.21 0.58 -1.14 0.00 0.00 176.83 176.23 3m7i h VAL 41 N 0.36 1.32 -0.39 2.27 2.07 -1.23 -3.12 116.25 117.53 3m7i h VAL 41 Ca 0.25 -1.37 0.09 0.00 0.82 0.00 0.00 66.70 66.49 3m7i h VAL 41 Cb 0.27 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3m7i h VAL 41 CO -0.25 0.42 0.27 0.25 0.02 0.00 0.00 177.57 178.28 3m7i h LEU 42 N 0.24 0.11 -2.17 2.57 5.85 -0.47 -1.21 115.31 120.22 3m7i h LEU 42 Ca 0.04 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3m7i h LEU 42 Cb 0.76 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3m7i h LEU 42 CO 0.05 0.07 0.14 0.77 -0.34 0.00 0.00 178.44 179.13 3m7i h SER 43 N 0.13 0.00 1.49 1.25 4.64 -0.98 0.37 113.55 120.44 3m7i h SER 43 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3m7i h SER 43 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3m7i h SER 43 CO -0.02 0.00 0.00 1.88 -0.87 0.00 0.00 176.83 177.82 3m7i h TYR 44 N 0.00 0.00 0.00 4.77 0.05 -1.36 -3.34 116.97 117.09 3m7i h TYR 44 Ca 0.08 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.60 3m7i h TYR 44 Cb 0.36 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.05 3m7i h TYR 44 CO 0.00 0.00 -2.01 0.72 -1.05 0.00 0.00 178.16 175.82 3m7i n HIS 45 N -2.99 0.00 -1.70 4.88 8.25 -0.03 -4.97 115.22 118.67 3m7i n HIS 45 Ca 0.03 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.05 3m7i n HIS 45 Cb 0.41 -0.72 -0.03 0.00 1.12 0.00 0.00 29.99 30.77 3m7i n HIS 45 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3m7i n LEU 46 N -2.52 3.70 -4.51 2.41 7.94 -0.31 -4.98 117.00 118.73 3m7i n LEU 46 Ca -0.23 1.05 -0.41 0.00 -1.11 0.00 0.00 56.01 55.31 3m7i n LEU 46 Cb 0.95 -1.51 -0.11 0.00 0.53 0.00 0.00 43.42 43.28 3m7i n LEU 46 CO 0.32 0.02 -0.12 -0.54 -1.11 0.00 0.00 177.39 175.96 3m7i s LYS 47 N 1.55 3.40 0.15 1.96 1.02 -1.26 -5.00 119.74 121.55 3m7i s LYS 47 Ca 0.78 -0.71 -0.23 0.00 0.02 0.00 0.00 55.97 55.83 3m7i s LYS 47 Cb -0.56 -3.81 0.07 0.00 -0.52 0.00 0.00 37.83 33.00 3m7i s LYS 47 CO 0.36 -0.49 0.60 -3.38 -0.92 0.00 0.00 175.35 171.52 3m7i s HIS 48 N 1.70 -0.53 -0.32 3.18 -3.43 -1.26 -0.67 115.29 113.96 3m7i s HIS 48 Ca 0.06 0.35 0.04 0.00 -0.80 0.00 0.00 55.06 54.70 3m7i s HIS 48 Cb -0.18 0.54 0.09 0.00 -1.43 0.00 0.00 32.58 31.61 3m7i s HIS 48 CO 0.10 -0.83 0.01 1.21 -2.00 0.00 0.00 174.74 173.22 3m7i s ASN 49 N -2.68 4.69 0.60 7.38 2.47 -1.26 -4.07 114.94 122.07 3m7i s ASN 49 Ca 0.00 -1.94 0.29 0.00 0.42 0.00 0.00 52.86 51.64 3m7i s ASN 49 Cb -0.01 -1.61 1.55 0.00 -1.45 0.00 0.00 41.25 39.72 3m7i s ASN 49 CO -0.12 -0.33 1.96 -0.65 -3.72 0.00 0.00 177.10 174.24 3m7i h PRO 50 N 7.67 0.00 -0.00 0.43 0.11 -1.86 0.23 132.00 138.58 3m7i h PRO 50 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3m7i h PRO 50 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3m7i h PRO 50 CO 0.51 0.00 -0.53 1.63 -0.21 0.00 0.00 178.00 179.40 3m7i n LYS 51 N -3.65 0.41 -3.35 1.05 4.76 -1.26 -4.34 118.16 111.77 3m7i n LYS 51 Ca 0.05 -0.28 -0.25 0.00 -2.87 0.00 0.00 58.31 54.96 3m7i n LYS 51 Cb 0.54 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 32.14 3m7i n LYS 51 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3m7i s ASN 52 N -2.79 1.39 0.00 4.39 2.47 0.82 -4.99 114.94 116.23 3m7i s ASN 52 Ca 0.15 -2.76 0.04 0.00 0.42 0.00 0.00 52.86 50.71 3m7i s ASN 52 Cb 0.18 -0.19 0.19 0.00 -1.45 0.00 0.00 41.25 39.97 3m7i s ASN 52 CO 0.67 -0.19 0.92 -2.65 -3.72 0.00 0.00 177.10 172.13 3m7i n PRO 53 N 3.10 0.06 -0.04 0.43 -0.02 -1.18 -1.84 135.00 135.50 3m7i n PRO 53 Ca 0.25 0.23 0.12 0.00 -2.02 0.00 0.00 63.50 62.09 3m7i n PRO 53 Cb 0.47 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.60 3m7i n PRO 53 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3m7i n THR 54 N -1.26 0.09 -1.68 3.45 -2.24 -1.26 -4.91 114.28 106.47 3m7i n THR 54 Ca 0.02 -0.53 -0.46 0.00 -2.27 0.00 0.00 64.05 60.81 3m7i n THR 54 Cb 0.03 1.32 -0.04 0.00 -2.10 0.00 0.00 70.33 69.54 3m7i n THR 54 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 3m7i n TRP 55 N 1.28 2.38 0.09 4.78 -0.00 -0.77 -4.82 117.44 120.38 3m7i n TRP 55 Ca 0.15 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.50 57.64 3m7i n TRP 55 Cb 0.58 -2.66 0.27 0.00 -0.00 0.00 0.00 31.31 29.50 3m7i n TRP 55 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 3m7i h LEU 56 N 8.57 0.27 -3.53 5.87 5.85 -1.93 -2.47 115.31 127.94 3m7i h LEU 56 Ca -0.48 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 3m7i h LEU 56 Cb 1.26 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 3m7i h LEU 56 CO 0.93 0.57 0.01 -3.20 -0.34 0.00 0.00 178.44 176.41 3m7i n ASN 57 N -4.11 5.66 -4.75 1.25 5.15 -1.26 -4.96 115.26 112.24 3m7i n ASN 57 Ca -0.01 -2.93 -0.37 0.00 -0.60 0.00 0.00 54.58 50.68 3m7i n ASN 57 Cb 0.40 -0.69 0.03 0.00 -0.53 0.00 0.00 39.78 39.00 3m7i n ASN 57 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3m7i s ARG 58 N -2.74 3.06 0.32 1.20 1.70 -0.93 -4.53 118.95 117.02 3m7i s ARG 58 Ca 0.54 1.93 -0.29 0.00 -0.47 0.00 0.00 55.73 57.44 3m7i s ARG 58 Cb 0.41 -2.05 -0.11 0.00 -0.57 0.00 0.00 34.95 32.63 3m7i s ARG 58 CO 0.16 -1.17 1.54 -0.51 -1.08 0.00 0.00 175.30 174.24 3m7i s ASP 59 N -1.41 6.38 -0.30 -2.89 1.01 0.15 -4.74 116.67 114.87 3m7i s ASP 59 Ca 0.75 2.98 -0.14 0.00 0.71 0.00 0.00 52.55 56.85 3m7i s ASP 59 Cb -0.33 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 40.92 3m7i s ASP 59 CO 0.37 -0.89 0.31 -0.13 0.21 0.00 0.00 175.17 175.05 3m7i s ARG 60 N -1.15 3.79 -0.26 8.23 1.81 -0.76 -4.86 118.95 125.76 3m7i s ARG 60 Ca 0.59 -0.28 -0.09 0.00 -1.72 0.00 0.00 55.73 54.23 3m7i s ARG 60 Cb -0.47 -3.72 -0.04 0.00 -0.45 0.00 0.00 34.95 30.27 3m7i s ARG 60 CO 0.54 -0.36 0.12 -1.17 -0.68 0.00 0.00 175.30 173.75 3m7i s LEU 61 N 1.94 3.73 -0.15 2.53 2.96 -1.26 -0.55 118.68 127.89 3m7i s LEU 61 Ca 0.11 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 3m7i s LEU 61 Cb -0.16 -2.01 -0.00 0.00 0.50 0.00 0.00 46.19 44.51 3m7i s LEU 61 CO 0.11 -0.02 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.27 3m7i s VAL 62 N 1.55 2.60 -0.76 1.68 1.01 0.53 -4.48 120.40 122.53 3m7i s VAL 62 Ca 0.06 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 3m7i s VAL 62 Cb -0.15 -2.08 0.13 0.00 0.00 0.00 0.00 36.38 34.27 3m7i s VAL 62 CO 0.06 0.52 0.89 -0.36 0.00 0.00 0.00 175.10 176.21 3m7i s PHE 63 N 0.73 3.14 0.34 5.22 0.40 -1.26 -0.87 117.98 125.68 3m7i s PHE 63 Ca -0.07 -1.25 0.10 0.00 -0.60 0.00 0.00 56.93 55.11 3m7i s PHE 63 Cb -0.16 -4.10 0.62 0.00 0.51 0.00 0.00 43.02 39.89 3m7i s PHE 63 CO 0.01 -1.34 1.78 1.03 0.70 0.00 0.00 175.22 177.40 3m7i h SER 64 N 8.85 0.11 -1.22 1.36 0.87 -0.87 -3.19 113.55 119.46 3m7i h SER 64 Ca -0.07 -0.04 -0.66 0.00 -1.23 0.00 0.00 61.79 59.79 3m7i h SER 64 Cb 1.06 -0.03 -0.11 0.00 -0.44 0.00 0.00 62.40 62.88 3m7i h SER 64 CO 1.05 0.48 1.76 -0.83 -0.53 0.00 0.00 176.83 178.76 3m7i s GLY 65 N -4.25 1.63 0.54 5.77 0.00 -1.23 -4.36 107.32 105.41 3m7i s GLY 65 Ca -0.04 -2.75 0.35 0.00 0.00 0.00 0.00 44.72 42.29 3m7i s GLY 65 CO 0.74 2.58 2.06 -1.33 0.00 0.00 0.00 173.10 177.15 3m7i h GLY 66 N 12.13 0.00 2.00 0.20 0.00 -1.84 -2.09 103.07 113.47 3m7i h GLY 66 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3m7i h GLY 66 CO 1.40 0.00 0.00 1.12 0.00 0.00 0.00 176.54 179.06 3m7i h HIS 67 N 0.00 0.00 0.00 5.60 2.07 -1.88 -1.70 115.15 119.24 3m7i h HIS 67 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3m7i h HIS 67 Cb 0.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.25 3m7i h HIS 67 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 3m7i n ALA 68 N -2.06 2.22 -0.33 6.11 0.00 -0.79 -4.41 120.51 121.26 3m7i n ALA 68 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.53 3m7i n ALA 68 Cb 0.14 -1.00 0.29 0.00 0.00 0.00 0.00 19.45 18.88 3m7i n ALA 68 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3m7i h SER 69 N 0.18 0.65 -0.76 0.00 4.64 -1.54 -0.84 113.55 115.88 3m7i h SER 69 Ca 0.00 0.10 0.11 0.00 -0.47 0.00 0.00 61.79 61.53 3m7i h SER 69 Cb 0.37 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.40 3m7i h SER 69 CO 0.00 0.23 0.50 0.00 -0.87 0.00 0.00 176.83 176.68 3m7i h ALA 70 N 1.63 1.87 -0.02 5.18 0.00 -1.88 -0.02 119.26 126.02 3m7i h ALA 70 Ca 0.54 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 3m7i h ALA 70 Cb 0.84 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3m7i h ALA 70 CO -0.39 -0.04 -0.01 1.25 0.00 0.00 0.00 179.25 180.05 3m7i h LEU 71 N 0.62 0.05 -0.50 0.00 5.85 -1.50 -1.28 115.31 118.54 3m7i h LEU 71 Ca 0.36 -0.44 0.10 0.00 0.84 0.00 0.00 57.88 58.73 3m7i h LEU 71 Cb 0.55 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 3m7i h LEU 71 CO -0.13 0.48 -0.06 0.25 -0.34 0.00 0.00 178.44 178.64 3m7i h LEU 72 N -0.39 -0.33 -1.07 2.25 5.85 -1.29 -1.95 115.31 118.38 3m7i h LEU 72 Ca 0.00 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 3m7i h LEU 72 Cb 0.46 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 3m7i h LEU 72 CO 0.00 -0.12 0.17 1.88 -0.34 0.00 0.00 178.44 180.04 3m7i h TYR 73 N 0.06 0.85 -0.11 1.25 0.05 -0.92 -0.41 116.97 117.74 3m7i h TYR 73 Ca 0.25 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.96 3m7i h TYR 73 Cb 0.38 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 3m7i h TYR 73 CO -0.37 0.69 0.06 0.77 -1.05 0.00 0.00 178.16 178.27 3m7i h SER 74 N 0.81 0.13 -0.73 3.88 0.02 -0.89 -0.96 113.55 115.82 3m7i h SER 74 Ca 0.19 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3m7i h SER 74 Cb 0.24 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 3m7i h SER 74 CO -0.01 0.14 0.34 0.15 -1.14 0.00 0.00 176.83 176.31 3m7i h PHE 75 N 0.11 1.06 -0.51 3.45 3.57 -1.10 0.64 116.94 124.16 3m7i h PHE 75 Ca 0.04 -0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 3m7i h PHE 75 Cb 0.04 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 3m7i h PHE 75 CO -0.06 0.79 0.02 -0.07 -2.23 0.00 0.00 178.31 176.76 3m7i h LEU 76 N 1.03 0.86 0.34 0.59 3.38 -0.84 -0.34 115.31 120.33 3m7i h LEU 76 Ca 0.25 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3m7i h LEU 76 Cb 0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3m7i h LEU 76 CO -0.03 0.94 -0.21 -0.74 0.09 0.00 0.00 178.44 178.50 3m7i h HIS 77 N 0.75 -0.54 -0.43 1.13 2.76 -1.00 -1.71 115.15 116.11 3m7i h HIS 77 Ca 0.15 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3m7i h HIS 77 Cb 0.49 0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 3m7i h HIS 77 CO 0.04 -0.32 0.25 -0.07 -1.30 0.00 0.00 177.93 176.52 3m7i h LEU 78 N -0.52 0.52 -0.05 0.26 3.38 -0.76 -2.60 115.31 115.54 3m7i h LEU 78 Ca -0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3m7i h LEU 78 Cb 0.43 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3m7i h LEU 78 CO 0.04 0.41 0.00 -1.20 0.09 0.00 0.00 178.44 177.78 3m7i n SER 79 N -4.43 0.26 0.00 -0.43 7.64 -0.15 -2.66 113.62 113.85 3m7i n SER 79 Ca 0.03 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.44 3m7i n SER 79 Cb 0.09 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 3m7i n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m7i n GLY 80 N 1.15 1.13 3.77 0.23 0.00 -0.98 -4.04 105.19 106.45 3m7i n GLY 80 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3m7i n GLY 80 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m7i s TYR 81 N -2.00 2.56 -1.52 1.61 1.51 -0.67 -4.58 117.35 114.26 3m7i s TYR 81 Ca 0.00 1.08 -0.12 0.00 -1.01 0.00 0.00 57.07 57.03 3m7i s TYR 81 Cb 0.00 -3.21 -0.04 0.00 -0.11 0.00 0.00 41.96 38.60 3m7i s TYR 81 CO 0.00 -2.18 2.63 -3.47 -1.11 0.00 0.00 175.55 171.42 3m7i n ASP 82 N -3.70 6.61 -3.72 2.29 2.03 -1.26 -4.74 116.55 114.06 3m7i n ASP 82 Ca 0.07 -2.67 -0.17 0.00 0.52 0.00 0.00 54.79 52.53 3m7i n ASP 82 Cb 0.57 -1.58 -0.17 0.00 -0.72 0.00 0.00 41.12 39.22 3m7i n ASP 82 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3m7i s LEU 83 N 0.99 0.56 0.42 -2.67 2.96 -1.26 -4.77 118.68 114.90 3m7i s LEU 83 Ca 0.60 0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.65 3m7i s LEU 83 Cb 0.16 -0.06 0.01 0.00 0.50 0.00 0.00 46.19 46.80 3m7i s LEU 83 CO -0.07 -0.19 0.60 -0.94 -1.32 0.00 0.00 176.35 174.43 3m7i s SER 84 N 1.65 5.72 0.24 3.68 1.04 -1.26 -4.39 113.70 120.38 3m7i s SER 84 Ca -0.02 -0.13 -0.06 0.00 0.48 0.00 0.00 55.95 56.22 3m7i s SER 84 Cb -0.12 -1.06 0.23 0.00 0.10 0.00 0.00 66.02 65.17 3m7i s SER 84 CO -0.03 -0.72 1.87 0.25 0.98 0.00 0.00 173.24 175.58 3m7i h LEU 85 N 0.56 1.12 -1.38 2.42 5.85 -2.00 -2.09 115.31 119.80 3m7i h LEU 85 Ca -0.43 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.20 3m7i h LEU 85 Cb 1.27 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 3m7i h LEU 85 CO 0.51 0.89 0.42 -0.08 -0.34 0.00 0.00 178.44 179.85 3m7i h GLU 86 N 1.26 0.82 -0.83 1.25 4.81 -1.99 -1.87 114.58 118.05 3m7i h GLU 86 Ca 0.32 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.53 3m7i h GLU 86 Cb 0.01 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.16 3m7i h GLU 86 CO -0.05 0.54 0.54 -0.44 -0.73 0.00 0.00 179.01 178.87 3m7i h ASP 87 N 0.84 0.90 -0.62 1.04 3.32 -1.78 -2.00 116.42 118.12 3m7i h ASP 87 Ca 0.24 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 3m7i h ASP 87 Cb -0.07 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 3m7i h ASP 87 CO -0.05 0.63 0.25 -0.07 -1.72 0.00 0.00 179.24 178.27 3m7i h LEU 88 N 1.06 0.88 -0.16 1.55 3.38 -0.83 -1.67 115.31 119.52 3m7i h LEU 88 Ca 0.32 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3m7i h LEU 88 Cb -0.03 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3m7i h LEU 88 CO -0.10 0.80 0.00 0.29 0.09 0.00 0.00 178.44 179.52 3m7i n LYS 89 N -4.30 0.05 -0.75 1.13 5.02 -0.79 -2.18 118.16 116.33 3m7i n LYS 89 Ca 0.06 0.28 -0.00 0.00 -2.02 0.00 0.00 58.31 56.62 3m7i n LYS 89 Cb 0.18 -1.59 0.26 0.00 -0.02 0.00 0.00 35.03 33.86 3m7i n LYS 89 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3m7i n ASN 90 N -1.68 3.81 -4.63 4.39 4.13 -0.64 -4.87 115.26 115.77 3m7i n ASN 90 Ca 0.03 -3.31 -0.60 0.00 1.68 0.00 0.00 54.58 52.39 3m7i n ASN 90 Cb 0.19 -0.64 -0.08 0.00 -1.54 0.00 0.00 39.78 37.71 3m7i n ASN 90 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3m7i n PHE 91 N -0.58 1.44 -1.05 3.10 7.35 -0.93 -1.64 117.46 125.15 3m7i n PHE 91 Ca 0.32 0.88 -0.02 0.00 -0.76 0.00 0.00 57.45 57.87 3m7i n PHE 91 Cb 1.12 -2.26 -0.01 0.00 0.35 0.00 0.00 39.48 38.68 3m7i n PHE 91 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3m7i n ARG 92 N 3.23 -0.71 -3.79 -4.13 1.74 -0.07 -4.59 116.66 108.35 3m7i n ARG 92 Ca 0.24 0.31 -0.31 0.00 -0.77 0.00 0.00 57.85 57.32 3m7i n ARG 92 Cb 0.08 -3.93 -0.04 0.00 -1.02 0.00 0.00 32.46 27.54 3m7i n ARG 92 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3m7i s GLN 93 N -1.15 3.54 0.04 5.56 -1.52 -0.65 -4.86 119.66 120.62 3m7i s GLN 93 Ca 0.00 -0.24 -0.36 0.00 -1.95 0.00 0.00 55.36 52.81 3m7i s GLN 93 Cb 0.00 -2.94 -0.15 0.00 -0.22 0.00 0.00 33.01 29.70 3m7i s GLN 93 CO 0.00 0.54 1.55 -0.11 -0.25 0.00 0.00 175.29 177.02 3m7i n LEU 94 N 0.23 2.51 -0.24 2.90 7.94 -1.26 -1.38 117.00 127.70 3m7i n LEU 94 Ca -0.04 1.08 -0.03 0.00 -1.11 0.00 0.00 56.01 55.91 3m7i n LEU 94 Cb 0.51 -1.29 -0.01 0.00 0.53 0.00 0.00 43.42 43.16 3m7i n LEU 94 CO 0.50 -0.56 -0.03 1.41 -1.11 0.00 0.00 177.39 177.60 3m7i n HIS 95 N 3.80 0.00 -1.71 1.96 8.25 -1.26 -5.02 115.22 121.24 3m7i n HIS 95 Ca 0.20 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.37 3m7i n HIS 95 Cb 0.23 -1.33 0.11 0.00 1.12 0.00 0.00 29.99 30.12 3m7i n HIS 95 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3m7i s SER 96 N -2.26 4.04 0.00 0.41 1.04 -0.48 -4.96 113.70 111.49 3m7i s SER 96 Ca 0.00 0.89 0.23 0.00 0.48 0.00 0.00 55.95 57.55 3m7i s SER 96 Cb 0.00 -1.43 1.05 0.00 0.10 0.00 0.00 66.02 65.74 3m7i s SER 96 CO 0.00 -2.21 1.72 0.29 0.98 0.00 0.00 173.24 174.02 3m7i n LYS 97 N -3.53 1.45 -3.07 4.02 5.02 -1.26 -4.39 118.16 116.39 3m7i n LYS 97 Ca 0.07 -0.67 -0.25 0.00 -2.02 0.00 0.00 58.31 55.45 3m7i n LYS 97 Cb 0.60 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 34.16 3m7i n LYS 97 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3m7i n THR 98 N -0.14 2.07 -1.23 -0.18 -2.24 -1.26 -4.76 114.28 106.54 3m7i n THR 98 Ca 0.17 -5.24 -0.31 0.00 -2.27 0.00 0.00 64.05 56.41 3m7i n THR 98 Cb 0.25 -1.27 0.11 0.00 -2.10 0.00 0.00 70.33 67.31 3m7i n THR 98 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3m7i s PRO 99 N -2.99 1.93 0.36 -0.78 0.04 -1.26 -0.89 135.00 131.41 3m7i s PRO 99 Ca 0.45 1.08 0.13 0.00 0.04 0.00 0.00 61.00 62.70 3m7i s PRO 99 Cb 0.27 -1.87 0.96 0.00 0.04 0.00 0.00 34.50 33.90 3m7i s PRO 99 CO -0.11 -1.85 1.79 0.78 0.04 0.00 0.00 177.00 177.65 3m7i h GLY 100 N -1.27 1.40 -3.34 0.56 0.00 -1.95 -3.40 103.07 95.06 3m7i h GLY 100 Ca -0.45 -0.26 -0.51 0.00 0.00 0.00 0.00 47.33 46.10 3m7i h GLY 100 CO 0.52 -0.09 -0.78 0.30 0.00 0.00 0.00 176.54 176.49 3m7i s HIS 101 N -5.62 1.77 0.33 5.60 3.76 -1.26 -4.59 115.29 115.27 3m7i s HIS 101 Ca -0.10 -0.48 -0.28 0.00 -0.15 0.00 0.00 55.06 54.05 3m7i s HIS 101 Cb 0.25 -0.89 -0.10 0.00 1.11 0.00 0.00 32.58 32.95 3m7i s HIS 101 CO 0.80 0.31 1.18 -2.14 -0.85 0.00 0.00 174.74 174.03 3m7i s PRO 102 N -2.77 4.41 0.05 8.40 0.02 -1.26 -4.95 135.00 138.89 3m7i s PRO 102 Ca 0.15 1.94 0.05 0.00 0.02 0.00 0.00 61.00 63.16 3m7i s PRO 102 Cb -0.06 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.42 3m7i s PRO 102 CO 0.06 -0.04 -0.15 -1.21 -0.33 0.00 0.00 177.00 175.32 3m7i s GLU 103 N -1.78 0.99 0.15 5.54 2.02 -1.26 -3.20 118.70 121.16 3m7i s GLU 103 Ca 0.49 -0.83 0.18 0.00 0.02 0.00 0.00 54.97 54.82 3m7i s GLU 103 Cb -0.34 -1.02 0.79 0.00 0.10 0.00 0.00 34.13 33.65 3m7i s GLU 103 CO 0.44 0.25 1.55 0.44 0.02 0.00 0.00 175.26 177.96 3m7i n ILE 104 N 1.75 1.02 0.56 -1.63 -5.35 -1.26 -1.64 119.36 112.81 3m7i n ILE 104 Ca -0.18 0.32 0.07 0.00 -0.27 0.00 0.00 62.75 62.69 3m7i n ILE 104 Cb 0.54 -1.21 0.34 0.00 -1.74 0.00 0.00 39.64 37.58 3m7i n ILE 104 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3m7i n SER 105 N -1.92 0.00 -4.57 7.28 3.41 -1.26 -4.45 113.62 112.11 3m7i n SER 105 Ca 0.02 0.43 -0.40 0.00 -0.26 0.00 0.00 58.87 58.66 3m7i n SER 105 Cb 0.16 -0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 63.56 3m7i n SER 105 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3m7i s THR 106 N -2.94 5.14 0.22 6.66 2.01 -0.65 -5.03 115.64 121.05 3m7i s THR 106 Ca 0.09 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.08 3m7i s THR 106 Cb 0.10 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.70 3m7i s THR 106 CO 0.28 -0.03 1.42 -0.76 -0.69 0.00 0.00 174.62 174.83 3m7i s LEU 107 N 2.12 4.39 0.00 4.42 1.43 -1.26 -2.00 118.68 127.78 3m7i s LEU 107 Ca 0.14 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 3m7i s LEU 107 Cb -0.16 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.44 3m7i s LEU 107 CO 0.11 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 176.64 3m7i n GLY 108 N 2.42 3.00 3.64 -3.19 0.00 -1.26 -4.72 105.19 105.08 3m7i n GLY 108 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3m7i n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m7i s VAL 109 N -2.62 4.65 0.21 1.61 1.01 -0.85 -4.93 120.40 119.48 3m7i s VAL 109 Ca 0.00 1.67 -0.01 0.00 0.00 0.00 0.00 61.98 63.63 3m7i s VAL 109 Cb 0.00 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3m7i s VAL 109 CO 0.00 -0.31 1.55 -0.33 0.00 0.00 0.00 175.10 176.01 3m7i h GLU 110 N 7.89 0.51 -1.86 2.72 4.39 -1.90 -3.43 114.58 122.91 3m7i h GLU 110 Ca -0.21 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.18 3m7i h GLU 110 Cb 1.07 0.02 -0.23 0.00 -0.10 0.00 0.00 28.75 29.52 3m7i h GLU 110 CO 0.97 0.89 0.25 -1.50 -1.16 0.00 0.00 179.01 178.46 3m7i s ILE 111 N -4.06 0.00 0.14 3.13 2.07 -1.26 -4.99 121.20 116.23 3m7i s ILE 111 Ca -0.07 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 58.86 3m7i s ILE 111 Cb 0.12 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.62 3m7i s ILE 111 CO 0.83 0.00 1.46 0.00 -1.91 0.00 0.00 174.94 175.32 3m7i s ALA 112 N 0.28 3.66 0.30 1.50 0.00 -1.26 -4.79 121.76 121.45 3m7i s ALA 112 Ca 0.01 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.23 3m7i s ALA 112 Cb -0.05 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 3m7i s ALA 112 CO -0.01 -0.68 0.13 0.25 0.00 0.00 0.00 175.76 175.45 3m7i n THR 113 N 3.85 0.00 0.00 0.00 -2.24 -1.19 -4.90 114.28 109.79 3m7i n THR 113 Ca 0.12 -1.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.07 3m7i n THR 113 Cb 0.41 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 3m7i n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m7i n GLY 114 N -0.16 3.13 3.66 3.38 0.00 -1.26 -4.14 105.19 109.81 3m7i n GLY 114 Ca -0.02 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 3m7i n GLY 114 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3m7i s PRO 115 N 0.00 4.23 0.56 1.61 0.02 -1.26 -4.73 135.00 135.43 3m7i s PRO 115 Ca 0.00 1.84 -0.20 0.00 0.02 0.00 0.00 61.00 62.65 3m7i s PRO 115 Cb 0.00 -3.79 -0.04 0.00 0.02 0.00 0.00 34.50 30.69 3m7i s PRO 115 CO 0.00 -0.71 1.26 -0.51 -0.33 0.00 0.00 177.00 176.70 3m7i s LEU 116 N 3.44 3.78 0.00 -5.54 1.43 -1.26 -2.74 118.68 117.79 3m7i s LEU 116 Ca 0.61 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 56.23 3m7i s LEU 116 Cb -0.26 -4.43 0.00 0.00 0.03 0.00 0.00 46.19 41.53 3m7i s LEU 116 CO 0.20 -1.50 0.00 0.61 0.23 0.00 0.00 176.35 175.90 3m7i n GLY 117 N 0.61 2.21 0.23 -3.19 0.00 -1.26 -4.87 105.19 98.91 3m7i n GLY 117 Ca 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 3m7i n GLY 117 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3m7i h GLN 118 N 0.00 0.51 -0.28 1.61 1.08 -1.84 -2.65 115.11 113.53 3m7i h GLN 118 Ca 0.00 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 3m7i h GLN 118 Cb 0.00 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 3m7i h GLN 118 CO 0.00 0.33 -0.07 0.78 -0.95 0.00 0.00 178.83 178.92 3m7i h GLY 119 N 0.52 0.48 0.94 3.46 0.00 -1.81 0.35 103.07 107.01 3m7i h GLY 119 Ca 0.28 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 3m7i h GLY 119 CO -0.22 0.28 0.06 -2.08 0.00 0.00 0.00 176.54 174.58 3m7i h VAL 120 N 0.42 1.24 -0.42 4.60 2.07 -1.82 0.31 116.25 122.65 3m7i h VAL 120 Ca 0.09 -0.89 -0.13 0.00 0.82 0.00 0.00 66.70 66.59 3m7i h VAL 120 Cb 0.39 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3m7i h VAL 120 CO 0.02 0.30 -0.26 0.00 0.02 0.00 0.00 177.57 177.66 3m7i h ALA 121 N 0.92 0.75 -0.49 1.67 0.00 -1.17 -0.98 119.26 119.96 3m7i h ALA 121 Ca 0.12 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.66 3m7i h ALA 121 Cb 0.38 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3m7i h ALA 121 CO 0.01 0.66 0.28 -0.91 0.00 0.00 0.00 179.25 179.29 3m7i h ASN 122 N 0.76 0.45 -0.72 0.00 2.35 0.07 -0.58 115.58 117.91 3m7i h ASN 122 Ca 0.09 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3m7i h ASN 122 Cb 0.81 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 39.06 3m7i h ASN 122 CO 0.07 0.32 0.48 0.00 -1.65 0.00 0.00 177.43 176.64 3m7i h ALA 123 N 1.23 0.91 -0.96 -0.83 0.00 -0.05 0.19 119.26 119.76 3m7i h ALA 123 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3m7i h ALA 123 Cb 0.05 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 3m7i h ALA 123 CO -0.11 0.33 0.61 0.28 0.00 0.00 0.00 179.25 180.36 3m7i h VAL 124 N 0.97 1.25 -0.43 0.00 2.07 -0.94 -1.22 116.25 117.95 3m7i h VAL 124 Ca 0.26 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 3m7i h VAL 124 Cb -0.11 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.51 3m7i h VAL 124 CO -0.06 0.25 -0.07 1.23 0.02 0.00 0.00 177.57 178.95 3m7i h GLY 125 N 1.31 0.80 1.37 2.17 0.00 0.12 -2.63 103.07 106.22 3m7i h GLY 125 Ca 0.35 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 3m7i h GLY 125 CO -0.07 0.52 0.23 0.74 0.00 0.00 0.00 176.54 177.96 3m7i h PHE 126 N 0.68 0.81 0.00 5.60 0.04 -0.06 0.81 116.94 124.82 3m7i h PHE 126 Ca 0.12 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.86 3m7i h PHE 126 Cb 0.52 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.42 3m7i h PHE 126 CO 0.03 0.62 0.00 0.00 -0.60 0.00 0.00 178.31 178.36 3m7i n ALA 127 N -2.45 1.64 0.00 2.45 0.00 -0.52 -1.00 120.51 120.63 3m7i n ALA 127 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3m7i n ALA 127 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3m7i n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m7i n ALA 129 N 0.47 0.00 -0.23 0.00 0.00 0.28 -1.29 120.51 119.74 3m7i n ALA 129 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3m7i n ALA 129 Cb 0.12 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.66 3m7i n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m7i h ALA 130 N 0.00 1.05 -0.32 0.00 0.00 -1.31 0.25 119.26 118.94 3m7i h ALA 130 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 3m7i h ALA 130 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3m7i h ALA 130 CO 0.00 0.64 -0.26 0.87 0.00 0.00 0.00 179.25 180.50 3m7i h LYS 131 N 1.03 0.64 -0.33 0.00 1.79 -1.45 -0.06 116.57 118.19 3m7i h LYS 131 Ca 0.22 -0.26 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 3m7i h LYS 131 Cb 0.31 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 3m7i h LYS 131 CO -0.01 0.84 -0.08 -0.22 -1.08 0.00 0.00 179.45 178.90 3m7i h LYS 132 N 0.56 0.63 -0.88 3.15 1.63 -1.70 -1.64 116.57 118.32 3m7i h LYS 132 Ca 0.08 -0.24 0.06 0.00 -0.85 0.00 0.00 60.65 59.69 3m7i h LYS 132 Cb 0.73 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.27 3m7i h LYS 132 CO 0.06 0.81 0.57 0.00 -3.45 0.00 0.00 179.45 177.44 3m7i h ALA 133 N 0.80 1.53 -0.68 5.00 0.00 -0.18 -0.81 119.26 124.92 3m7i h ALA 133 Ca 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3m7i h ALA 133 Cb 0.57 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3m7i h ALA 133 CO 0.03 0.35 0.20 0.37 0.00 0.00 0.00 179.25 180.20 3m7i h GLN 134 N 1.00 1.05 -0.85 0.00 4.15 -0.89 0.28 115.11 119.85 3m7i h GLN 134 Ca 0.37 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 3m7i h GLN 134 Cb 0.18 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 3m7i h GLN 134 CO -0.13 0.90 0.48 -0.97 -1.93 0.00 0.00 178.83 177.18 3m7i h ASN 135 N 1.01 1.05 0.14 -0.69 -1.24 -0.30 0.21 115.58 115.76 3m7i h ASN 135 Ca 0.22 -0.09 -0.30 0.00 0.71 0.00 0.00 56.30 56.84 3m7i h ASN 135 Cb 0.30 -0.27 0.03 0.00 0.73 0.00 0.00 38.32 39.12 3m7i h ASN 135 CO -0.01 0.83 -1.27 -0.07 -1.29 0.00 0.00 177.43 175.63 3m7i h LEU 136 N 1.18 0.87 0.00 0.34 3.38 -0.84 -3.40 115.31 116.84 3m7i h LEU 136 Ca 0.30 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3m7i h LEU 136 Cb 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3m7i h LEU 136 CO -0.05 1.63 -0.81 0.18 0.09 0.00 0.00 178.44 179.47 3m7i n LEU 137 N -3.80 0.26 0.00 1.67 4.77 0.94 -5.03 117.00 115.82 3m7i n LEU 137 Ca -0.14 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3m7i n LEU 137 Cb 1.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 3m7i n LEU 137 CO 0.58 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3m7i n GLY 138 N 1.51 1.31 0.00 -0.72 0.00 0.74 -4.45 105.19 103.57 3m7i n GLY 138 Ca 0.00 -1.74 0.12 0.00 0.00 0.00 0.00 46.02 44.40 3m7i n GLY 138 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m7i n SER 139 N -0.32 0.00 0.11 1.61 3.41 -1.26 -1.91 113.62 115.26 3m7i n SER 139 Ca 0.00 0.05 -0.03 0.00 -0.26 0.00 0.00 58.87 58.63 3m7i n SER 139 Cb 0.00 -0.33 0.16 0.00 -0.26 0.00 0.00 64.21 63.78 3m7i n SER 139 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3m7i h ASP 140 N 0.00 0.17 0.08 4.04 2.03 -1.95 -3.34 116.42 117.45 3m7i h ASP 140 Ca 0.00 -0.09 -0.34 0.00 -0.73 0.00 0.00 57.03 55.86 3m7i h ASP 140 Cb 0.26 -0.05 -0.06 0.00 -0.83 0.00 0.00 39.33 38.65 3m7i h ASP 140 CO 0.00 0.71 -2.27 0.18 -1.03 0.00 0.00 179.24 176.83 3m7i n LEU 141 N -3.88 0.13 -3.99 0.15 4.77 -0.94 -4.90 117.00 108.33 3m7i n LEU 141 Ca -0.02 0.06 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 3m7i n LEU 141 Cb 0.59 0.43 -0.16 0.00 -2.33 0.00 0.00 43.42 41.96 3m7i n LEU 141 CO 0.43 0.46 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.88 3m7i s ILE 142 N -2.54 1.74 0.00 -0.08 -1.09 -0.80 -4.72 121.20 113.71 3m7i s ILE 142 Ca -0.09 -1.27 0.00 0.00 -2.23 0.00 0.00 60.65 57.06 3m7i s ILE 142 Cb 0.07 -1.91 0.00 0.00 -1.58 0.00 0.00 42.46 39.04 3m7i s ILE 142 CO 0.83 0.01 0.65 -0.90 -1.23 0.00 0.00 174.94 174.30 3m7i n ASP 143 N 4.61 0.00 -4.63 3.58 5.75 -1.26 -4.42 116.55 120.18 3m7i n ASP 143 Ca -0.13 -1.41 -0.29 0.00 -0.01 0.00 0.00 54.79 52.94 3m7i n ASP 143 Cb 0.44 -0.08 0.12 0.00 -1.03 0.00 0.00 41.12 40.57 3m7i n ASP 143 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3m7i s HIS 144 N 0.00 2.45 0.28 2.11 -3.43 -1.26 -5.07 115.29 110.36 3m7i s HIS 144 Ca 0.00 0.58 0.06 0.00 -0.80 0.00 0.00 55.06 54.90 3m7i s HIS 144 Cb 0.00 -3.71 -0.02 0.00 -1.43 0.00 0.00 32.58 27.42 3m7i s HIS 144 CO 0.00 -2.08 0.37 0.15 -2.00 0.00 0.00 174.74 171.18 3m7i s LYS 145 N -5.68 3.25 -0.20 -0.38 -0.14 -1.26 -4.88 119.74 110.46 3m7i s LYS 145 Ca 0.66 -0.90 0.01 0.00 -1.36 0.00 0.00 55.97 54.38 3m7i s LYS 145 Cb -0.08 -2.81 0.04 0.00 -1.68 0.00 0.00 37.83 33.30 3m7i s LYS 145 CO 0.50 0.30 -0.09 0.42 -0.76 0.00 0.00 175.35 175.72 3m7i s ILE 146 N -2.07 1.59 -0.19 2.17 1.09 0.54 -1.82 121.20 122.51 3m7i s ILE 146 Ca 0.38 -1.01 -0.07 0.00 -1.10 0.00 0.00 60.65 58.85 3m7i s ILE 146 Cb -0.09 -1.69 -0.04 0.00 -1.06 0.00 0.00 42.46 39.58 3m7i s ILE 146 CO 0.29 0.13 0.05 -0.31 -0.10 0.00 0.00 174.94 175.00 3m7i s TYR 147 N 1.41 3.19 -0.10 3.97 2.02 0.29 -0.23 117.35 127.90 3m7i s TYR 147 Ca -0.02 -0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 3m7i s TYR 147 Cb -0.16 -2.08 0.01 0.00 -0.40 0.00 0.00 41.96 39.33 3m7i s TYR 147 CO -0.08 0.06 -0.17 0.00 -1.57 0.00 0.00 175.55 173.79 3m7i s LEU 149 N 0.76 4.13 0.26 0.00 1.43 -0.05 0.01 118.68 125.22 3m7i s LEU 149 Ca -0.11 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 3m7i s LEU 149 Cb -0.16 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 3m7i s LEU 149 CO 0.02 -0.02 0.07 0.00 0.23 0.00 0.00 176.35 176.66 3m7i n GLY 151 N -0.48 3.94 0.37 0.00 0.00 -1.26 -0.77 105.19 106.98 3m7i n GLY 151 Ca -0.01 -2.12 0.06 0.00 0.00 0.00 0.00 46.02 43.95 3m7i n GLY 151 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3m7i h ASP 152 N 0.42 0.94 -0.52 1.61 3.32 -1.90 -2.46 116.42 117.83 3m7i h ASP 152 Ca -0.11 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 3m7i h ASP 152 Cb 0.37 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3m7i h ASP 152 CO 0.18 0.52 -0.07 1.23 -1.72 0.00 0.00 179.24 179.38 3m7i h GLY 153 N 1.02 1.04 0.99 2.75 0.00 -1.95 -2.48 103.07 104.43 3m7i h GLY 153 Ca 0.48 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3m7i h GLY 153 CO -0.24 0.75 0.33 -0.55 0.00 0.00 0.00 176.54 176.84 3m7i h ASP 154 N 0.83 0.67 0.88 0.19 3.32 -1.81 -2.90 116.42 117.60 3m7i h ASP 154 Ca 0.14 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3m7i h ASP 154 Cb 0.62 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3m7i h ASP 154 CO 0.04 0.53 0.00 0.18 -1.72 0.00 0.00 179.24 178.28 3m7i n LEU 155 N -4.65 0.15 0.10 1.55 4.77 -1.07 -2.60 117.00 115.26 3m7i n LEU 155 Ca 0.03 0.52 0.04 0.00 -0.03 0.00 0.00 56.01 56.57 3m7i n LEU 155 Cb 0.06 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.66 3m7i n LEU 155 CO 0.36 -0.15 0.15 1.56 -1.33 0.00 0.00 177.39 177.98 3m7i h GLN 156 N 0.00 0.00 -6.75 3.23 4.20 -1.25 -3.46 115.11 111.09 3m7i h GLN 156 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 3m7i h GLN 156 Cb 0.44 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.26 3m7i h GLN 156 CO 0.00 0.31 0.64 -1.21 -0.67 0.00 0.00 178.83 177.90 3m7i s GLU 157 N -3.03 4.40 0.31 1.46 0.41 -1.07 -4.93 118.70 116.25 3m7i s GLU 157 Ca 0.01 2.09 0.08 0.00 -0.41 0.00 0.00 54.97 56.74 3m7i s GLU 157 Cb 0.08 -3.15 0.86 0.00 -1.78 0.00 0.00 34.13 30.13 3m7i s GLU 157 CO 0.77 -0.20 1.71 0.78 -0.49 0.00 0.00 175.26 177.83 3m7i h GLY 158 N 4.68 1.82 1.96 -1.39 0.00 -1.90 -1.57 103.07 106.68 3m7i h GLY 158 Ca -0.46 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 46.61 3m7i h GLY 158 CO 0.73 -0.27 0.02 1.19 0.00 0.00 0.00 176.54 178.21 3m7i h ILE 159 N 0.51 0.81 -0.31 2.60 2.10 -1.91 -1.69 117.51 119.62 3m7i h ILE 159 Ca 0.63 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 66.52 3m7i h ILE 159 Cb 1.22 0.99 -0.01 0.00 -1.09 0.00 0.00 36.82 37.92 3m7i h ILE 159 CO -0.50 0.00 -0.00 0.77 -1.08 0.00 0.00 178.15 177.33 3m7i h SER 160 N 0.00 0.54 -0.69 2.19 4.64 -1.50 -0.98 113.55 117.76 3m7i h SER 160 Ca 0.01 -0.31 -0.06 0.00 -0.47 0.00 0.00 61.79 60.96 3m7i h SER 160 Cb 0.04 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 3m7i h SER 160 CO -0.00 0.72 0.19 1.88 -0.87 0.00 0.00 176.83 178.75 3m7i h TYR 161 N 0.35 1.13 -0.20 4.77 0.05 -1.44 -1.34 116.97 120.29 3m7i h TYR 161 Ca 0.09 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.74 3m7i h TYR 161 Cb 0.45 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 3m7i h TYR 161 CO 0.04 0.92 0.13 0.93 -1.05 0.00 0.00 178.16 179.12 3m7i h GLU 162 N 1.02 0.26 -0.12 4.88 5.08 -1.13 -1.22 114.58 123.34 3m7i h GLU 162 Ca 0.22 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.35 3m7i h GLU 162 Cb 0.34 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3m7i h GLU 162 CO -0.00 0.19 -0.75 0.00 -1.00 0.00 0.00 179.01 177.45 3m7i h ALA 163 N 1.06 0.44 -0.10 3.43 0.00 -1.02 -2.94 119.26 120.13 3m7i h ALA 163 Ca 0.07 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 3m7i h ALA 163 Cb -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3m7i h ALA 163 CO -0.01 0.72 -0.50 0.00 0.00 0.00 0.00 179.25 179.45 3m7i h SER 165 N 0.21 -0.58 -0.26 0.00 0.87 -1.06 -1.10 113.55 111.63 3m7i h SER 165 Ca 0.01 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 3m7i h SER 165 Cb 0.96 0.33 -0.02 0.00 -0.44 0.00 0.00 62.40 63.23 3m7i h SER 165 CO 0.08 -0.20 0.05 -0.07 -0.53 0.00 0.00 176.83 176.16 3m7i h LEU 166 N -0.09 0.47 -0.50 2.23 3.38 -1.29 -2.16 115.31 117.35 3m7i h LEU 166 Ca 0.20 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 3m7i h LEU 166 Cb 0.39 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3m7i h LEU 166 CO -0.46 0.50 -0.21 0.00 0.09 0.00 0.00 178.44 178.36 3m7i h ALA 167 N 1.56 0.70 -0.16 1.53 0.00 -0.46 -1.37 119.26 121.06 3m7i h ALA 167 Ca 0.11 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3m7i h ALA 167 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3m7i h ALA 167 CO 0.00 0.68 -0.02 0.78 0.00 0.00 0.00 179.25 180.68 3m7i h GLY 168 N 0.88 0.33 0.61 0.00 0.00 -1.03 -2.07 103.07 101.78 3m7i h GLY 168 Ca 0.11 -0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.25 3m7i h GLY 168 CO 0.07 0.24 0.36 -2.00 0.00 0.00 0.00 176.54 175.20 3m7i h LEU 169 N 0.02 0.50 -0.94 3.11 5.85 -1.27 -2.01 115.31 120.58 3m7i h LEU 169 Ca 0.04 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3m7i h LEU 169 Cb 0.43 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3m7i h LEU 169 CO 0.01 0.32 0.00 1.41 -0.34 0.00 0.00 178.44 179.84 3m7i n HIS 170 N -4.82 0.23 -3.71 1.25 8.25 -0.53 -4.95 115.22 110.94 3m7i n HIS 170 Ca 0.09 -0.12 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 3m7i n HIS 170 Cb 0.20 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.34 3m7i n HIS 170 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3m7i n LYS 171 N 0.17 -4.85 -2.42 -0.41 5.02 -0.76 -4.81 118.16 110.11 3m7i n LYS 171 Ca 0.14 0.61 -0.38 0.00 -2.02 0.00 0.00 58.31 56.65 3m7i n LYS 171 Cb 0.27 -5.15 -0.02 0.00 -0.02 0.00 0.00 35.03 30.10 3m7i n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3m7i n LEU 172 N -4.28 4.38 -0.62 -0.35 4.77 -0.99 -4.75 117.00 115.15 3m7i n LEU 172 Ca -0.30 -3.70 0.00 0.00 -0.03 0.00 0.00 56.01 51.99 3m7i n LEU 172 Cb 0.68 -1.75 0.02 0.00 -2.33 0.00 0.00 43.42 40.03 3m7i n LEU 172 CO 0.69 -0.45 0.31 -0.90 -1.33 0.00 0.00 177.39 175.70 3m7i n ASP 173 N 10.23 1.42 -0.53 -1.43 5.68 -1.26 -2.47 116.55 128.18 3m7i n ASP 173 Ca 0.48 -2.04 0.06 0.00 -0.50 0.00 0.00 54.79 52.79 3m7i n ASP 173 Cb 0.46 -0.51 0.08 0.00 -1.14 0.00 0.00 41.12 40.01 3m7i n ASP 173 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3m7i n ASN 174 N 0.08 2.25 -4.39 -1.12 6.94 -1.26 -4.82 115.26 112.93 3m7i n ASN 174 Ca 0.01 -1.62 -0.35 0.00 -0.02 0.00 0.00 54.58 52.60 3m7i n ASN 174 Cb 0.32 -0.06 -0.13 0.00 -2.36 0.00 0.00 39.78 37.55 3m7i n ASN 174 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 3m7i s PHE 175 N -1.00 3.02 -0.19 -2.53 5.36 -1.03 -0.34 117.98 121.26 3m7i s PHE 175 Ca 0.17 -0.63 0.01 0.00 -0.96 0.00 0.00 56.93 55.52 3m7i s PHE 175 Cb 0.11 -2.14 0.03 0.00 -0.34 0.00 0.00 43.02 40.68 3m7i s PHE 175 CO 0.16 -0.40 -0.17 0.42 -1.46 0.00 0.00 175.22 173.77 3m7i s ILE 176 N 1.38 1.97 -0.27 3.12 1.01 0.68 -1.73 121.20 127.37 3m7i s ILE 176 Ca 0.05 -1.04 -0.07 0.00 0.00 0.00 0.00 60.65 59.59 3m7i s ILE 176 Cb -0.15 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 3m7i s ILE 176 CO 0.00 0.39 0.08 -0.22 0.00 0.00 0.00 174.94 175.19 3m7i s LEU 177 N 1.29 3.62 -0.38 2.97 2.96 0.54 -1.08 118.68 128.60 3m7i s LEU 177 Ca 0.02 -0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 3m7i s LEU 177 Cb -0.15 -1.91 0.05 0.00 0.50 0.00 0.00 46.19 44.68 3m7i s LEU 177 CO -0.11 -0.10 0.20 -0.63 -1.32 0.00 0.00 176.35 174.39 3m7i s ILE 178 N 1.57 4.23 -0.37 6.68 1.01 0.10 0.29 121.20 134.72 3m7i s ILE 178 Ca 0.05 -1.14 -0.20 0.00 0.00 0.00 0.00 60.65 59.37 3m7i s ILE 178 Cb -0.16 -3.46 0.01 0.00 0.01 0.00 0.00 42.46 38.86 3m7i s ILE 178 CO 0.03 -0.32 0.60 -0.47 0.00 0.00 0.00 174.94 174.78 3m7i s TYR 179 N 1.46 3.14 -1.05 3.97 5.04 0.79 -0.73 117.35 129.97 3m7i s TYR 179 Ca 0.01 0.22 -0.23 0.00 -2.44 0.00 0.00 57.07 54.64 3m7i s TYR 179 Cb -0.21 -3.12 -0.00 0.00 0.35 0.00 0.00 41.96 38.98 3m7i s TYR 179 CO 0.04 -0.65 1.73 0.34 -1.34 0.00 0.00 175.55 175.67 3m7i s ASP 180 N 1.82 5.87 -0.99 4.32 2.15 0.05 -0.75 116.67 129.15 3m7i s ASP 180 Ca 0.22 -1.37 -0.17 0.00 0.43 0.00 0.00 52.55 51.66 3m7i s ASP 180 Cb -0.15 -2.57 0.15 0.00 -0.30 0.00 0.00 42.92 40.05 3m7i s ASP 180 CO 0.15 -2.11 1.18 -0.55 -0.17 0.00 0.00 175.17 173.66 3m7i s SER 181 N 6.14 6.74 0.00 -0.34 0.15 -0.04 -4.17 113.70 122.17 3m7i s SER 181 Ca 0.59 -2.30 0.16 0.00 0.70 0.00 0.00 55.95 55.10 3m7i s SER 181 Cb -0.02 -2.39 0.20 0.00 -1.71 0.00 0.00 66.02 62.10 3m7i s SER 181 CO -0.01 -0.96 1.10 -0.46 1.20 0.00 0.00 173.24 174.11 3m7i n ASN 182 N 6.18 2.60 -1.72 5.45 0.23 -1.26 -1.76 115.26 124.98 3m7i n ASN 182 Ca 0.26 -1.76 -0.18 0.00 -0.53 0.00 0.00 54.58 52.37 3m7i n ASN 182 Cb 0.48 -0.07 -0.06 0.00 -2.08 0.00 0.00 39.78 38.04 3m7i n ASN 182 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3m7i n ASN 183 N 0.95 -4.96 -3.96 0.53 2.85 -1.26 -4.57 115.26 104.85 3m7i n ASN 183 Ca 0.11 0.37 -0.20 0.00 -0.11 0.00 0.00 54.58 54.75 3m7i n ASN 183 Cb 0.44 -4.37 -0.16 0.00 1.24 0.00 0.00 39.78 36.93 3m7i n ASN 183 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3m7i s ILE 184 N -2.64 0.68 0.00 -1.44 -1.09 -1.26 -1.83 121.20 113.62 3m7i s ILE 184 Ca 0.00 -0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 3m7i s ILE 184 Cb 0.00 -0.64 0.00 0.00 -1.58 0.00 0.00 42.46 40.24 3m7i s ILE 184 CO 0.00 0.23 0.00 -1.54 -1.23 0.00 0.00 174.94 172.40 3m7i n SER 185 N 3.56 0.91 -0.00 3.58 3.41 -0.27 -4.86 113.62 119.96 3m7i n SER 185 Ca -0.21 -0.83 -0.04 0.00 -0.26 0.00 0.00 58.87 57.53 3m7i n SER 185 Cb 0.53 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.66 3m7i n SER 185 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3m7i h ILE 186 N 0.83 1.27 -0.03 -1.33 2.04 -1.98 -2.21 117.51 116.09 3m7i h ILE 186 Ca 0.00 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.59 3m7i h ILE 186 Cb 0.00 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3m7i h ILE 186 CO 0.00 0.41 0.00 -0.62 0.00 0.00 0.00 178.15 177.94 3m7i n GLU 187 N -4.12 1.25 0.00 2.37 1.02 -1.26 -4.99 120.64 114.91 3m7i n GLU 187 Ca -0.00 -0.36 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 3m7i n GLU 187 Cb 0.41 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 3m7i n GLU 187 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m7i n GLY 188 N 0.99 0.72 3.69 0.62 0.00 -0.83 -4.99 105.19 105.39 3m7i n GLY 188 Ca 0.19 -1.57 -0.44 0.00 0.00 0.00 0.00 46.02 44.20 3m7i n GLY 188 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3m7i n ASP 189 N 0.00 3.63 0.22 1.61 2.03 -1.26 -1.11 116.55 121.67 3m7i n ASP 189 Ca 0.00 1.03 0.07 0.00 0.52 0.00 0.00 54.79 56.40 3m7i n ASP 189 Cb 0.00 -1.48 0.57 0.00 -0.72 0.00 0.00 41.12 39.48 3m7i n ASP 189 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3m7i h VAL 190 N 4.29 1.06 0.00 5.18 2.07 -1.70 -2.48 116.25 124.67 3m7i h VAL 190 Ca -0.46 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3m7i h VAL 190 Cb 1.24 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3m7i h VAL 190 CO 0.93 0.08 0.34 1.23 0.02 0.00 0.00 177.57 180.16 3m7i h GLY 191 N 0.25 0.00 2.00 2.17 0.00 -1.84 0.38 103.07 106.03 3m7i h GLY 191 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 3m7i h GLY 191 CO 0.01 0.00 -0.14 1.41 0.00 0.00 0.00 176.54 177.82 3m7i h LEU 192 N 0.00 0.00 -0.04 3.11 3.38 -1.82 -3.36 115.31 116.59 3m7i h LEU 192 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m7i h LEU 192 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3m7i h LEU 192 CO 0.00 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.67 3m7i n ALA 193 N -2.38 1.10 -3.66 1.53 0.00 -0.33 -5.09 120.51 111.69 3m7i n ALA 193 Ca -0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.33 3m7i n ALA 193 Cb 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.60 3m7i n ALA 193 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3m7i s PHE 194 N -0.50 -0.97 0.00 0.00 5.36 -0.03 -5.03 117.98 116.82 3m7i s PHE 194 Ca 0.00 1.88 0.13 0.00 -0.96 0.00 0.00 56.93 57.98 3m7i s PHE 194 Cb 0.00 0.53 0.22 0.00 -0.34 0.00 0.00 43.02 43.43 3m7i s PHE 194 CO 0.00 -0.50 1.04 0.27 -1.46 0.00 0.00 175.22 174.57 3m7i n ASN 195 N 4.66 0.28 -4.63 6.13 6.94 -1.26 -3.81 115.26 123.56 3m7i n ASN 195 Ca -0.18 -1.92 -0.38 0.00 -0.02 0.00 0.00 54.58 52.09 3m7i n ASN 195 Cb 0.55 -0.12 0.05 0.00 -2.36 0.00 0.00 39.78 37.90 3m7i n ASN 195 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3m7i n GLU 196 N 0.25 1.02 -2.58 -3.83 1.02 -1.26 -4.92 120.64 110.34 3m7i n GLU 196 Ca -0.03 0.39 -0.41 0.00 -0.02 0.00 0.00 57.16 57.09 3m7i n GLU 196 Cb 0.91 -2.22 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 3m7i n GLU 196 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3m7i s ASN 197 N -1.18 6.30 0.25 1.62 3.84 -1.26 -4.86 114.94 119.65 3m7i s ASN 197 Ca 0.75 -0.91 -0.00 0.00 0.21 0.00 0.00 52.86 52.91 3m7i s ASN 197 Cb -0.43 -2.55 0.32 0.00 -0.55 0.00 0.00 41.25 38.04 3m7i s ASN 197 CO 0.48 -1.67 1.68 0.58 -2.79 0.00 0.00 177.10 175.38 3m7i h VAL 198 N 6.32 1.27 0.00 -5.21 2.07 -2.04 -0.69 116.25 117.97 3m7i h VAL 198 Ca -0.08 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.13 3m7i h VAL 198 Cb 1.03 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3m7i h VAL 198 CO 1.33 0.42 0.00 1.17 0.02 0.00 0.00 177.57 180.51 3m7i n LYS 199 N -4.11 0.04 0.00 1.57 4.81 -1.26 -1.78 118.16 117.43 3m7i n LYS 199 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3m7i n LYS 199 Cb 0.42 -1.04 0.00 0.00 0.02 0.00 0.00 35.03 34.43 3m7i n LYS 199 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3m7i n ARG 201 N 0.50 0.00 0.02 1.64 0.63 -0.27 -1.48 116.66 117.70 3m7i n ARG 201 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 3m7i n ARG 201 Cb 0.01 0.00 0.08 0.00 0.45 0.00 0.00 32.46 33.00 3m7i n ARG 201 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 3m7i h PHE 202 N 0.00 0.62 -0.40 -0.14 -1.00 -1.62 -2.81 116.94 111.59 3m7i h PHE 202 Ca 0.00 -0.21 -0.05 0.00 2.81 0.00 0.00 57.97 60.52 3m7i h PHE 202 Cb 0.00 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.42 3m7i h PHE 202 CO 0.00 0.91 0.02 0.93 -1.61 0.00 0.00 178.31 178.56 3m7i h GLU 203 N 0.39 0.63 -0.05 1.51 5.08 -1.44 -0.44 114.58 120.26 3m7i h GLU 203 Ca 0.01 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3m7i h GLU 203 Cb 1.04 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 3m7i h GLU 203 CO 0.09 0.64 0.04 0.00 -1.00 0.00 0.00 179.01 178.78 3m7i h ALA 204 N 1.42 1.95 -0.50 3.43 0.00 -1.75 -1.17 119.26 122.65 3m7i h ALA 204 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3m7i h ALA 204 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3m7i h ALA 204 CO 0.01 -0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.23 3m7i n GLN 205 N -4.37 2.29 -0.78 0.00 6.02 -0.62 -4.94 117.38 114.97 3m7i n GLN 205 Ca -0.02 -1.84 0.00 0.00 -0.01 0.00 0.00 57.00 55.13 3m7i n GLN 205 Cb 0.14 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 29.96 3m7i n GLN 205 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m7i n GLY 206 N 1.23 0.80 3.93 1.08 0.00 -0.44 -3.60 105.19 108.20 3m7i n GLY 206 Ca 0.17 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 3m7i n GLY 206 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m7i s PHE 207 N -2.00 3.49 0.01 1.61 0.40 -0.27 -4.38 117.98 116.83 3m7i s PHE 207 Ca 0.00 0.25 -0.20 0.00 -0.60 0.00 0.00 56.93 56.39 3m7i s PHE 207 Cb 0.00 -1.78 -0.06 0.00 0.51 0.00 0.00 43.02 41.69 3m7i s PHE 207 CO 0.00 0.44 0.57 -2.00 0.70 0.00 0.00 175.22 174.93 3m7i s GLU 208 N -3.26 4.27 -0.14 0.44 2.12 -0.33 -4.28 118.70 117.53 3m7i s GLU 208 Ca 0.37 0.70 0.02 0.00 0.36 0.00 0.00 54.97 56.42 3m7i s GLU 208 Cb -0.11 -3.32 0.02 0.00 0.26 0.00 0.00 34.13 30.98 3m7i s GLU 208 CO 0.29 0.43 -0.18 0.08 -0.54 0.00 0.00 175.26 175.34 3m7i s VAL 209 N -0.40 1.75 0.12 3.70 1.01 -1.26 -0.94 120.40 124.39 3m7i s VAL 209 Ca 0.30 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3m7i s VAL 209 Cb -0.18 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3m7i s VAL 209 CO 0.17 0.49 -0.08 -0.76 0.00 0.00 0.00 175.10 174.92 3m7i s LEU 210 N 1.07 3.11 -0.12 3.92 1.43 0.13 -4.99 118.68 123.22 3m7i s LEU 210 Ca -0.03 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3m7i s LEU 210 Cb -0.14 -1.87 0.04 0.00 0.03 0.00 0.00 46.19 44.24 3m7i s LEU 210 CO -0.05 0.16 -0.03 -0.44 0.23 0.00 0.00 176.35 176.22 3m7i s SER 211 N -2.36 2.23 0.20 2.29 0.01 -1.26 0.17 113.70 114.98 3m7i s SER 211 Ca 0.23 -0.39 0.03 0.00 1.31 0.00 0.00 55.95 57.13 3m7i s SER 211 Cb -0.11 -0.68 -0.05 0.00 0.21 0.00 0.00 66.02 65.40 3m7i s SER 211 CO 0.15 -0.19 -0.00 0.27 0.41 0.00 0.00 173.24 173.88 3m7i s ILE 212 N 1.81 0.87 -0.35 1.44 -4.36 0.69 -4.96 121.20 116.33 3m7i s ILE 212 Ca 0.03 -2.01 -0.27 0.00 -0.26 0.00 0.00 60.65 58.14 3m7i s ILE 212 Cb -0.14 -2.23 0.02 0.00 1.25 0.00 0.00 42.46 41.36 3m7i s ILE 212 CO -0.07 -0.40 0.99 0.21 0.24 0.00 0.00 174.94 175.91 3m7i s ASN 213 N -3.24 6.77 0.00 4.36 3.84 -1.26 -0.38 114.94 125.02 3m7i s ASN 213 Ca 0.26 0.75 0.15 0.00 0.21 0.00 0.00 52.86 54.23 3m7i s ASN 213 Cb 0.06 -2.50 0.88 0.00 -0.55 0.00 0.00 41.25 39.14 3m7i s ASN 213 CO 0.06 -0.88 1.57 0.61 -2.79 0.00 0.00 177.10 175.67 3m7i n GLY 214 N 4.22 -0.95 0.46 1.21 0.00 0.38 -2.39 105.19 108.11 3m7i n GLY 214 Ca 0.09 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.05 3m7i n GLY 214 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3m7i n HIS 215 N -0.69 0.34 -3.63 1.61 8.25 -1.26 -3.92 115.22 115.92 3m7i n HIS 215 Ca 0.11 -0.50 -0.40 0.00 -0.26 0.00 0.00 57.72 56.67 3m7i n HIS 215 Cb 0.06 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.02 3m7i n HIS 215 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3m7i s ASP 216 N -1.01 5.65 0.23 0.41 -1.08 -1.01 -5.00 116.67 114.86 3m7i s ASP 216 Ca 0.17 -1.07 -0.07 0.00 -0.52 0.00 0.00 52.55 51.06 3m7i s ASP 216 Cb 0.09 -1.99 0.30 0.00 -1.46 0.00 0.00 42.92 39.86 3m7i s ASP 216 CO 0.11 -0.39 1.84 1.88 0.52 0.00 0.00 175.17 179.13 3m7i h TYR 217 N 8.39 0.88 -0.29 -5.34 0.05 -1.92 -1.12 116.97 117.62 3m7i h TYR 217 Ca -0.25 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.46 3m7i h TYR 217 Cb 1.10 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 3m7i h TYR 217 CO 0.58 0.44 -0.24 0.93 -1.05 0.00 0.00 178.16 178.82 3m7i h GLU 218 N 0.87 0.56 -0.38 4.88 5.08 -1.96 -1.29 114.58 122.34 3m7i h GLU 218 Ca 0.35 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 3m7i h GLU 218 Cb 0.18 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3m7i h GLU 218 CO -0.18 0.76 -0.34 0.93 -1.00 0.00 0.00 179.01 179.18 3m7i h GLU 219 N 0.50 0.87 -0.01 2.33 5.08 -1.58 -0.89 114.58 120.87 3m7i h GLU 219 Ca 0.07 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3m7i h GLU 219 Cb 0.68 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 3m7i h GLU 219 CO 0.05 1.07 0.00 0.82 -1.00 0.00 0.00 179.01 179.95 3m7i h ILE 220 N 0.72 1.07 -0.53 3.13 2.04 -1.12 -1.66 117.51 121.16 3m7i h ILE 220 Ca 0.07 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.74 3m7i h ILE 220 Cb 0.91 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 3m7i h ILE 220 CO 0.08 0.06 0.33 -1.13 0.00 0.00 0.00 178.15 177.49 3m7i h ASN 221 N -0.08 0.56 -0.79 1.72 -1.24 -1.06 -1.97 115.58 112.72 3m7i h ASN 221 Ca 0.00 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 3m7i h ASN 221 Cb 0.09 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 38.97 3m7i h ASN 221 CO -0.00 0.40 0.41 0.50 -1.29 0.00 0.00 177.43 177.45 3m7i h LYS 222 N 0.67 1.13 -0.54 6.67 3.64 -1.04 -1.81 116.57 125.30 3m7i h LYS 222 Ca 0.20 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3m7i h LYS 222 Cb -0.03 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 3m7i h LYS 222 CO -0.07 0.85 0.13 0.00 -2.27 0.00 0.00 179.45 178.10 3m7i h ALA 223 N 1.32 0.71 -0.40 5.00 0.00 -1.03 -1.31 119.26 123.55 3m7i h ALA 223 Ca 0.28 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3m7i h ALA 223 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3m7i h ALA 223 CO -0.04 0.41 0.14 -0.07 0.00 0.00 0.00 179.25 179.69 3m7i h LEU 224 N 0.76 0.57 -0.60 0.00 3.38 -1.19 0.59 115.31 118.82 3m7i h LEU 224 Ca 0.17 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3m7i h LEU 224 Cb 0.34 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 3m7i h LEU 224 CO 0.00 0.60 0.27 -0.33 0.09 0.00 0.00 178.44 179.08 3m7i h GLU 225 N 0.50 0.49 -0.32 1.13 4.39 -1.13 -0.48 114.58 119.16 3m7i h GLU 225 Ca 0.13 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.69 3m7i h GLU 225 Cb 0.23 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3m7i h GLU 225 CO -0.01 0.32 -0.22 0.37 -1.16 0.00 0.00 179.01 178.32 3m7i h GLN 226 N 0.50 0.71 -0.75 2.33 4.15 -0.92 -3.14 115.11 117.99 3m7i h GLN 226 Ca 0.28 -0.34 0.03 0.00 0.77 0.00 0.00 58.65 59.40 3m7i h GLN 226 Cb 0.27 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.91 3m7i h GLN 226 CO -0.23 0.95 0.48 0.00 -1.93 0.00 0.00 178.83 178.09 3m7i h ALA 227 N 0.75 0.99 0.00 3.38 0.00 0.45 -1.37 119.26 123.46 3m7i h ALA 227 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3m7i h ALA 227 Cb 0.77 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3m7i h ALA 227 CO 0.06 0.27 0.00 0.87 0.00 0.00 0.00 179.25 180.45 3m7i h LYS 228 N 0.92 0.00 -0.08 0.00 1.57 -1.05 -1.53 116.57 116.41 3m7i h LYS 228 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3m7i h LYS 228 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3m7i h LYS 228 CO -0.12 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.39 3m7i n LYS 229 N -2.59 2.23 -2.03 3.15 5.02 -0.55 -5.01 118.16 118.39 3m7i n LYS 229 Ca -0.00 -1.80 -0.38 0.00 -2.02 0.00 0.00 58.31 54.11 3m7i n LYS 229 Cb 0.17 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.72 3m7i n LYS 229 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3m7i s SER 230 N -1.92 5.77 0.00 4.39 0.15 -0.58 -4.91 113.70 116.60 3m7i s SER 230 Ca 0.31 2.54 0.19 0.00 0.70 0.00 0.00 55.95 59.69 3m7i s SER 230 Cb 0.20 -2.62 0.55 0.00 -1.71 0.00 0.00 66.02 62.44 3m7i s SER 230 CO 0.31 -1.21 1.44 0.35 1.20 0.00 0.00 173.24 175.33 3m7i n THR 231 N -0.69 0.46 -4.30 6.45 -2.24 -1.26 -4.85 114.28 107.84 3m7i n THR 231 Ca 0.08 -0.57 -0.18 0.00 -2.27 0.00 0.00 64.05 61.11 3m7i n THR 231 Cb 0.46 0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 69.11 3m7i n THR 231 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3m7i s LYS 232 N -1.54 1.19 0.29 -0.78 1.02 -1.26 -4.67 119.74 113.99 3m7i s LYS 232 Ca 0.34 -1.43 -0.29 0.00 0.02 0.00 0.00 55.97 54.62 3m7i s LYS 232 Cb 0.19 -1.04 -0.14 0.00 -0.52 0.00 0.00 37.83 36.32 3m7i s LYS 232 CO 0.26 0.19 1.15 -0.35 -0.92 0.00 0.00 175.35 175.68 3m7i n PRO 233 N 0.07 1.65 -5.11 -1.68 -0.04 -1.09 -4.41 135.00 124.39 3m7i n PRO 233 Ca -0.12 0.58 -0.30 0.00 -0.04 0.00 0.00 63.50 63.62 3m7i n PRO 233 Cb 0.59 -2.05 -0.16 0.00 -0.04 0.00 0.00 33.50 31.83 3m7i n PRO 233 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3m7i s LEU 235 N 0.04 3.00 -0.36 0.00 2.96 -0.12 -0.34 118.68 123.87 3m7i s LEU 235 Ca -0.08 -0.28 -0.14 0.00 -0.22 0.00 0.00 54.13 53.41 3m7i s LEU 235 Cb -0.14 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 3m7i s LEU 235 CO 0.04 0.08 0.30 -0.63 -1.32 0.00 0.00 176.35 174.83 3m7i s ILE 236 N 0.88 5.23 -0.53 6.68 1.01 0.14 -0.69 121.20 133.92 3m7i s ILE 236 Ca -0.01 -0.22 -0.22 0.00 0.00 0.00 0.00 60.65 60.20 3m7i s ILE 236 Cb -0.15 -3.81 0.05 0.00 0.01 0.00 0.00 42.46 38.56 3m7i s ILE 236 CO 0.01 -0.12 0.83 -0.63 0.00 0.00 0.00 174.94 175.03 3m7i s ILE 237 N 1.84 4.56 -0.38 2.92 1.01 0.13 -0.15 121.20 131.12 3m7i s ILE 237 Ca 0.08 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.67 3m7i s ILE 237 Cb -0.17 -4.45 0.04 0.00 0.01 0.00 0.00 42.46 37.89 3m7i s ILE 237 CO 0.11 -0.99 0.21 0.00 0.00 0.00 0.00 174.94 174.27 3m7i s ALA 238 N 3.49 3.25 -0.15 9.38 0.00 0.07 -0.22 121.76 137.58 3m7i s ALA 238 Ca 0.25 -1.84 -0.29 0.00 0.00 0.00 0.00 51.96 50.08 3m7i s ALA 238 Cb -0.15 -2.57 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 3m7i s ALA 238 CO 0.17 -1.46 1.21 0.21 0.00 0.00 0.00 175.76 175.89 3m7i s LYS 239 N 1.50 4.26 0.25 0.00 2.20 0.49 -0.86 119.74 127.58 3m7i s LYS 239 Ca 0.02 1.61 0.02 0.00 -0.36 0.00 0.00 55.97 57.26 3m7i s LYS 239 Cb -0.20 -3.70 -0.05 0.00 -1.51 0.00 0.00 37.83 32.36 3m7i s LYS 239 CO 0.05 -0.64 0.05 0.95 -0.36 0.00 0.00 175.35 175.41 3m7i s THR 240 N 3.18 0.78 -0.18 3.43 -4.23 -0.72 -0.47 115.64 117.42 3m7i s THR 240 Ca 0.53 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.99 3m7i s THR 240 Cb -0.21 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 3m7i s THR 240 CO 0.15 -0.14 -0.02 -0.89 -0.54 0.00 0.00 174.62 173.17 3m7i s THR 241 N -3.60 3.89 0.33 3.99 2.01 -1.26 -4.08 115.64 116.92 3m7i s THR 241 Ca 0.33 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.70 3m7i s THR 241 Cb 0.07 -2.73 -0.11 0.00 0.01 0.00 0.00 72.50 69.74 3m7i s THR 241 CO 0.11 0.46 1.54 -0.51 -0.69 0.00 0.00 174.62 175.53 3m7i s ILE 242 N 0.75 2.08 -1.51 1.82 2.07 -1.26 -1.90 121.20 123.25 3m7i s ILE 242 Ca -0.01 0.07 -0.05 0.00 -1.41 0.00 0.00 60.65 59.26 3m7i s ILE 242 Cb -0.14 -3.05 0.02 0.00 0.13 0.00 0.00 42.46 39.42 3m7i s ILE 242 CO 0.02 0.01 0.47 0.00 -1.91 0.00 0.00 174.94 173.53 3m7i n ALA 243 N 1.38 -0.93 -1.66 1.50 0.00 -0.69 -0.98 120.51 119.13 3m7i n ALA 243 Ca 0.05 0.22 -0.54 0.00 0.00 0.00 0.00 53.44 53.17 3m7i n ALA 243 Cb 0.38 -3.31 -0.06 0.00 0.00 0.00 0.00 19.45 16.45 3m7i n ALA 243 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3m7i n LYS 244 N -3.77 1.28 0.00 0.00 3.00 -0.80 -0.79 118.16 117.08 3m7i n LYS 244 Ca -0.12 0.47 0.00 0.00 -0.00 0.00 0.00 58.31 58.66 3m7i n LYS 244 Cb 0.62 -2.15 0.00 0.00 0.00 0.00 0.00 35.03 33.49 3m7i n LYS 244 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3m7i n GLY 245 N 3.57 1.32 2.24 3.14 0.00 -1.26 -4.67 105.19 109.52 3m7i n GLY 245 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 3m7i n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m7i n ALA 246 N -1.63 5.94 -0.33 4.61 0.00 0.03 -4.59 120.51 124.54 3m7i n ALA 246 Ca 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.35 3m7i n ALA 246 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3m7i n ALA 246 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m7i n GLY 247 N -0.88 1.83 0.23 0.00 0.00 -1.26 -1.70 105.19 103.41 3m7i n GLY 247 Ca 0.58 0.50 0.16 0.00 0.00 0.00 0.00 46.02 47.27 3m7i n GLY 247 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3m7i h GLU 248 N 0.00 0.00 -0.01 1.61 4.11 -1.96 -1.46 114.58 116.87 3m7i h GLU 248 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3m7i h GLU 248 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3m7i h GLU 248 CO 0.00 0.00 -0.35 1.28 0.07 0.00 0.00 179.01 180.01 3m7i n LEU 249 N -2.62 1.44 -4.69 3.06 4.77 -0.69 -4.85 117.00 113.41 3m7i n LEU 249 Ca -0.01 -0.47 -0.44 0.00 -0.03 0.00 0.00 56.01 55.06 3m7i n LEU 249 Cb 0.10 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 3m7i n LEU 249 CO 0.16 0.27 1.12 -0.62 -1.33 0.00 0.00 177.39 176.99 3m7i n GLU 250 N -0.39 2.28 -1.01 3.23 1.02 -0.55 -1.59 120.64 123.63 3m7i n GLU 250 Ca 0.11 0.81 -0.00 0.00 -0.02 0.00 0.00 57.16 58.06 3m7i n GLU 250 Cb 0.40 -2.53 -0.00 0.00 -0.02 0.00 0.00 31.44 29.29 3m7i n GLU 250 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m7i n GLY 251 N 2.36 0.22 3.87 0.62 0.00 -0.15 -4.99 105.19 107.12 3m7i n GLY 251 Ca 0.11 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3m7i n GLY 251 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3m7i s SER 252 N -2.02 6.43 0.57 1.61 0.15 -0.62 -4.95 113.70 114.87 3m7i s SER 252 Ca 0.00 0.51 0.36 0.00 0.70 0.00 0.00 55.95 57.52 3m7i s SER 252 Cb 0.00 -2.09 1.61 0.00 -1.71 0.00 0.00 66.02 63.83 3m7i s SER 252 CO 0.00 0.39 2.07 1.12 1.20 0.00 0.00 173.24 178.02 3m7i h HIS 253 N 5.02 0.00 0.00 3.44 2.07 -1.88 -2.75 115.15 121.06 3m7i h HIS 253 Ca -0.54 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 56.97 3m7i h HIS 253 Cb 1.23 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.21 3m7i h HIS 253 CO 0.75 0.00 -0.02 0.87 -3.07 0.00 0.00 177.93 176.46 3m7i h LYS 254 N 0.00 0.00 0.00 5.12 1.57 -1.92 -2.01 116.57 119.33 3m7i h LYS 254 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3m7i h LYS 254 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3m7i h LYS 254 CO 0.00 0.02 0.00 -1.13 -0.57 0.00 0.00 179.45 177.77 3m7i n SER 255 N -3.15 0.00 -0.04 0.86 3.41 -1.04 -4.09 113.62 109.58 3m7i n SER 255 Ca -0.00 0.06 -0.11 0.00 -0.26 0.00 0.00 58.87 58.55 3m7i n SER 255 Cb 0.25 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 63.80 3m7i n SER 255 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3m7i h HIS 256 N 0.00 0.24 0.00 7.33 -0.00 -1.54 0.09 115.15 121.27 3m7i h HIS 256 Ca 0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.31 3m7i h HIS 256 Cb 0.32 -0.07 -0.07 0.00 -0.00 0.00 0.00 27.41 27.60 3m7i h HIS 256 CO 0.00 0.37 -0.55 0.41 -0.00 0.00 0.00 177.93 178.16 3m7i n GLY 257 N -0.53 1.03 3.28 5.26 0.00 -1.26 -3.99 105.19 108.98 3m7i n GLY 257 Ca -0.05 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 3m7i n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m7i s ALA 258 N -0.30 -0.85 0.54 4.61 0.00 -1.04 -4.54 121.76 120.19 3m7i s ALA 258 Ca 0.09 0.25 -0.20 0.00 0.00 0.00 0.00 51.96 52.10 3m7i s ALA 258 Cb 0.10 0.23 -0.07 0.00 0.00 0.00 0.00 23.12 23.37 3m7i s ALA 258 CO -0.03 -0.37 0.87 -2.30 0.00 0.00 0.00 175.76 173.94 3m7i n PRO 259 N 0.81 0.93 0.20 0.00 -0.02 -1.26 -4.47 135.00 131.19 3m7i n PRO 259 Ca -0.20 0.35 0.06 0.00 -2.02 0.00 0.00 63.50 61.70 3m7i n PRO 259 Cb 0.58 -2.02 0.38 0.00 -0.02 0.00 0.00 33.50 32.42 3m7i n PRO 259 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3m7i h LEU 260 N 0.72 0.00 0.00 2.45 3.38 -1.94 -3.49 115.31 116.43 3m7i h LEU 260 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3m7i h LEU 260 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3m7i h LEU 260 CO 0.52 0.34 0.00 0.61 0.09 0.00 0.00 178.44 180.00 3m7i n GLY 261 N 0.10 2.28 0.35 0.83 0.00 -1.26 -4.55 105.19 102.93 3m7i n GLY 261 Ca -0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 46.02 44.32 3m7i n GLY 261 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3m7i h GLU 262 N 0.00 1.04 0.07 1.61 5.08 -1.99 -2.34 114.58 118.06 3m7i h GLU 262 Ca 0.00 -0.08 -0.25 0.00 -1.00 0.00 0.00 59.36 58.03 3m7i h GLU 262 Cb 0.00 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.03 3m7i h GLU 262 CO 0.00 0.72 -1.10 0.93 -1.00 0.00 0.00 179.01 178.55 3m7i h GLU 263 N 1.07 0.30 -0.69 2.33 5.08 -1.99 -1.29 114.58 119.39 3m7i h GLU 263 Ca 0.28 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3m7i h GLU 263 Cb -0.07 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3m7i h GLU 263 CO -0.06 1.15 0.41 0.28 -1.00 0.00 0.00 179.01 179.80 3m7i h VAL 264 N 0.13 1.20 -0.64 3.13 2.07 -1.77 -1.49 116.25 118.87 3m7i h VAL 264 Ca -0.11 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 3m7i h VAL 264 Cb 1.79 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 3m7i h VAL 264 CO 0.18 0.21 0.12 0.40 0.02 0.00 0.00 177.57 178.50 3m7i h ILE 265 N 0.94 1.26 -0.01 4.57 2.04 -1.26 -1.83 117.51 123.22 3m7i h ILE 265 Ca 0.25 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.14 3m7i h ILE 265 Cb -0.02 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3m7i h ILE 265 CO -0.05 0.37 -0.14 0.11 0.00 0.00 0.00 178.15 178.45 3m7i h LYS 266 N 0.96 -0.22 -0.91 2.37 1.57 -0.88 -0.79 116.57 118.68 3m7i h LYS 266 Ca 0.20 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 3m7i h LYS 266 Cb 0.41 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 3m7i h LYS 266 CO 0.01 -0.15 0.59 0.87 -0.57 0.00 0.00 179.45 180.20 3m7i h LYS 267 N -0.23 1.09 -0.50 3.15 1.57 -1.22 -1.90 116.57 118.54 3m7i h LYS 267 Ca 0.05 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3m7i h LYS 267 Cb 0.29 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3m7i h LYS 267 CO -0.14 0.72 0.18 0.00 -0.57 0.00 0.00 179.45 179.64 3m7i h ALA 268 N 1.39 0.65 -0.47 3.86 0.00 -0.67 -1.39 119.26 122.63 3m7i h ALA 268 Ca 0.37 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3m7i h ALA 268 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3m7i h ALA 268 CO -0.13 0.28 0.10 0.87 0.00 0.00 0.00 179.25 180.36 3m7i h LYS 269 N 0.67 0.76 -0.10 0.00 1.57 -0.97 -2.39 116.57 116.11 3m7i h LYS 269 Ca 0.16 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3m7i h LYS 269 Cb 0.23 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 3m7i h LYS 269 CO -0.01 0.76 -0.12 0.93 -0.57 0.00 0.00 179.45 180.44 3m7i h GLU 270 N 0.64 -0.15 0.00 3.15 5.08 -0.96 0.20 114.58 122.54 3m7i h GLU 270 Ca 0.14 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3m7i h GLU 270 Cb 0.35 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3m7i h GLU 270 CO 0.01 -0.10 -0.03 1.96 -1.00 0.00 0.00 179.01 179.84 3m7i h GLN 271 N -0.15 0.00 -0.02 2.33 1.08 -1.24 -2.25 115.11 114.86 3m7i h GLN 271 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3m7i h GLN 271 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3m7i h GLN 271 CO -0.19 0.03 -0.12 0.00 -0.95 0.00 0.00 178.83 177.60 3m7i n ALA 272 N -2.40 2.79 -0.71 3.87 0.00 -0.76 -4.95 120.51 118.35 3m7i n ALA 272 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3m7i n ALA 272 Cb 0.12 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3m7i n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m7i n GLY 273 N 1.29 0.60 3.91 0.00 0.00 -0.73 -5.05 105.19 105.20 3m7i n GLY 273 Ca 0.15 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 3m7i n GLY 273 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m7i s PHE 274 N -2.00 3.50 -0.08 1.61 0.40 -0.02 -5.00 117.98 116.38 3m7i s PHE 274 Ca 0.00 0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 56.42 3m7i s PHE 274 Cb 0.00 -1.87 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 3m7i s PHE 274 CO 0.00 0.52 1.45 0.34 0.70 0.00 0.00 175.22 178.23 3m7i s ASP 275 N -2.46 6.82 0.16 1.36 -1.08 -1.26 -3.68 116.67 116.52 3m7i s ASP 275 Ca 0.37 2.00 0.25 0.00 -0.52 0.00 0.00 52.55 54.65 3m7i s ASP 275 Cb -0.13 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.71 3m7i s ASP 275 CO 0.26 -0.81 1.76 -0.81 0.52 0.00 0.00 175.17 176.09 3m7i n PRO 276 N 6.52 0.17 -0.31 4.34 -0.04 -1.26 -3.57 135.00 140.85 3m7i n PRO 276 Ca 0.15 0.23 0.09 0.00 -0.04 0.00 0.00 63.50 63.93 3m7i n PRO 276 Cb 0.44 -1.73 0.26 0.00 -0.04 0.00 0.00 33.50 32.43 3m7i n PRO 276 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3m7i n ASN 277 N -2.03 3.17 -4.27 3.54 3.02 -1.26 -4.77 115.26 112.67 3m7i n ASN 277 Ca 0.05 -2.03 -0.16 0.00 -0.03 0.00 0.00 54.58 52.41 3m7i n ASN 277 Cb 0.34 -0.40 -0.10 0.00 -0.61 0.00 0.00 39.78 39.00 3m7i n ASN 277 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3m7i s ILE 278 N -1.27 1.35 0.21 2.41 -4.36 -1.23 -5.16 121.20 113.15 3m7i s ILE 278 Ca 0.39 -1.96 0.07 0.00 -0.26 0.00 0.00 60.65 58.90 3m7i s ILE 278 Cb 0.21 -1.76 -0.05 0.00 1.25 0.00 0.00 42.46 42.11 3m7i s ILE 278 CO 0.26 -0.59 -0.13 -0.94 0.24 0.00 0.00 174.94 173.78 3m7i s SER 279 N -2.92 2.53 -1.34 4.36 1.04 -1.26 -4.80 113.70 111.32 3m7i s SER 279 Ca 0.15 -1.04 -0.05 0.00 0.48 0.00 0.00 55.95 55.49 3m7i s SER 279 Cb -0.01 -0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.00 3m7i s SER 279 CO 0.03 -0.20 0.97 0.49 0.98 0.00 0.00 173.24 175.51 3m7i n PHE 280 N -0.39 -2.33 -3.71 5.02 3.72 -1.26 -4.97 117.46 113.54 3m7i n PHE 280 Ca -0.08 0.93 -0.35 0.00 -0.05 0.00 0.00 57.45 57.90 3m7i n PHE 280 Cb 0.61 -4.67 -0.08 0.00 -0.94 0.00 0.00 39.48 34.39 3m7i n PHE 280 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3m7i s HIS 281 N -3.42 3.38 -0.33 1.38 2.46 -1.26 -5.07 115.29 112.43 3m7i s HIS 281 Ca 0.29 0.29 -0.03 0.00 0.47 0.00 0.00 55.06 56.09 3m7i s HIS 281 Cb -0.14 -2.20 0.06 0.00 -0.13 0.00 0.00 32.58 30.17 3m7i s HIS 281 CO 0.77 0.22 0.06 0.42 -2.47 0.00 0.00 174.74 173.74 3m7i s ILE 282 N 0.59 3.27 0.75 0.89 1.01 -1.26 -4.85 121.20 121.60 3m7i s ILE 282 Ca 0.08 -1.42 -0.15 0.00 0.00 0.00 0.00 60.65 59.16 3m7i s ILE 282 Cb -0.12 -2.93 0.05 0.00 0.01 0.00 0.00 42.46 39.47 3m7i s ILE 282 CO 0.00 -0.22 1.21 -2.16 0.00 0.00 0.00 174.94 173.77 3m7i s PRO 283 N 1.28 1.98 0.12 2.79 0.04 -1.26 -4.77 135.00 135.18 3m7i s PRO 283 Ca -0.02 1.78 -0.25 0.00 0.04 0.00 0.00 61.00 62.56 3m7i s PRO 283 Cb -0.20 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 3m7i s PRO 283 CO -0.00 -1.96 1.66 1.96 0.04 0.00 0.00 177.00 178.70 3m7i h GLN 284 N -0.46 -0.30 -0.45 4.56 1.08 -1.99 -0.61 115.11 116.94 3m7i h GLN 284 Ca -0.47 0.02 0.02 0.00 -1.45 0.00 0.00 58.65 56.76 3m7i h GLN 284 Cb 1.30 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.77 3m7i h GLN 284 CO 0.49 -0.20 0.28 0.00 -0.95 0.00 0.00 178.83 178.44 3m7i h ALA 285 N 0.58 0.58 0.05 3.87 0.00 -2.00 -1.57 119.26 120.77 3m7i h ALA 285 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3m7i h ALA 285 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3m7i h ALA 285 CO -0.16 -0.03 -0.03 0.77 0.00 0.00 0.00 179.25 179.81 3m7i h SER 286 N 0.56 -0.06 -0.56 0.00 0.02 -1.90 -0.93 113.55 110.67 3m7i h SER 286 Ca 0.18 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.24 3m7i h SER 286 Cb -0.01 0.02 -0.11 0.00 0.14 0.00 0.00 62.40 62.44 3m7i h SER 286 CO -0.07 -0.04 -0.19 0.50 -1.14 0.00 0.00 176.83 175.89 3m7i h LYS 287 N -0.07 -0.05 -0.36 3.45 3.64 -0.76 0.14 116.57 122.56 3m7i h LYS 287 Ca -0.01 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 3m7i h LYS 287 Cb 0.06 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3m7i h LYS 287 CO 0.01 -0.03 -0.30 0.82 -2.27 0.00 0.00 179.45 177.68 3m7i h ILE 288 N -0.05 1.28 -0.13 2.00 2.04 -1.12 -2.13 117.51 119.41 3m7i h ILE 288 Ca 0.27 -1.47 -0.03 0.00 1.00 0.00 0.00 64.86 64.63 3m7i h ILE 288 Cb 0.46 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 3m7i h ILE 288 CO -0.60 0.48 -0.03 -0.09 0.00 0.00 0.00 178.15 177.91 3m7i h ARG 289 N 0.63 0.24 -0.47 2.37 9.65 -0.83 -1.93 114.38 124.04 3m7i h ARG 289 Ca 0.06 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3m7i h ARG 289 Cb 0.88 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.42 3m7i h ARG 289 CO 0.08 0.54 0.28 0.74 2.80 0.00 0.00 179.97 184.40 3m7i h PHE 290 N -0.07 0.63 0.00 2.20 0.04 -0.72 -2.92 116.94 116.11 3m7i h PHE 290 Ca 0.03 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3m7i h PHE 290 Cb 0.45 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.39 3m7i h PHE 290 CO 0.05 0.44 0.00 -0.85 -0.60 0.00 0.00 178.31 177.36 3m7i n GLU 291 N -4.71 0.01 0.33 1.51 0.28 -0.80 -2.40 120.64 114.87 3m7i n GLU 291 Ca 0.02 0.16 0.22 0.00 -0.16 0.00 0.00 57.16 57.40 3m7i n GLU 291 Cb 0.06 -1.52 1.19 0.00 1.43 0.00 0.00 31.44 32.59 3m7i n GLU 291 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3m7i h SER 292 N 0.00 0.00 -1.03 -1.84 4.64 -1.14 -0.25 113.55 113.93 3m7i h SER 292 Ca 0.00 0.00 0.28 0.00 -0.47 0.00 0.00 61.79 61.60 3m7i h SER 292 Cb 0.37 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.39 3m7i h SER 292 CO 0.00 0.00 0.70 0.00 -0.87 0.00 0.00 176.83 176.66 3m7i h ALA 293 N 2.00 2.56 0.55 5.18 0.00 -1.67 -2.01 119.26 125.87 3m7i h ALA 293 Ca -0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3m7i h ALA 293 Cb 0.02 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.86 3m7i h ALA 293 CO 0.00 -0.91 -0.27 0.28 0.00 0.00 0.00 179.25 178.36 3m7i h VAL 294 N 0.23 0.45 -0.31 0.00 2.07 -1.17 -0.13 116.25 117.39 3m7i h VAL 294 Ca 0.54 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.04 3m7i h VAL 294 Cb 1.69 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 3m7i h VAL 294 CO -0.16 0.00 0.12 -0.08 0.02 0.00 0.00 177.57 177.47 3m7i h GLU 295 N -0.75 0.46 -0.51 1.57 4.81 -1.68 -1.46 114.58 117.02 3m7i h GLU 295 Ca -0.08 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.01 3m7i h GLU 295 Cb 0.57 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3m7i h GLU 295 CO 0.12 0.48 0.08 -0.07 -0.73 0.00 0.00 179.01 178.89 3m7i h LEU 296 N 0.35 0.76 -0.23 1.64 3.38 -1.42 -2.21 115.31 117.59 3m7i h LEU 296 Ca 0.10 -0.16 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 3m7i h LEU 296 Cb 0.19 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3m7i h LEU 296 CO -0.01 0.78 -0.84 1.23 0.09 0.00 0.00 178.44 179.69 3m7i h GLY 297 N 0.97 0.59 0.79 0.83 0.00 -0.93 -1.27 103.07 104.04 3m7i h GLY 297 Ca 0.16 -0.91 0.04 0.00 0.00 0.00 0.00 47.33 46.62 3m7i h GLY 297 CO 0.01 0.81 0.38 -1.80 0.00 0.00 0.00 176.54 175.93 3m7i h ASP 298 N 0.34 0.59 -0.28 0.19 3.58 -1.14 -0.55 116.42 119.15 3m7i h ASP 298 Ca -0.06 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.32 3m7i h ASP 298 Cb 1.46 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.39 3m7i h ASP 298 CO 0.15 0.40 -0.16 0.25 -2.88 0.00 0.00 179.24 177.00 3m7i h LEU 299 N 0.72 0.63 -0.50 2.28 5.85 -1.13 -1.51 115.31 121.64 3m7i h LEU 299 Ca 0.27 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.58 3m7i h LEU 299 Cb 0.09 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3m7i h LEU 299 CO -0.14 0.91 0.32 -0.33 -0.34 0.00 0.00 178.44 178.87 3m7i h GLU 300 N 0.35 0.64 -0.58 1.25 4.39 -1.09 -1.30 114.58 118.24 3m7i h GLU 300 Ca 0.06 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 3m7i h GLU 300 Cb 0.69 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 3m7i h GLU 300 CO 0.05 0.42 0.32 1.49 -1.16 0.00 0.00 179.01 180.13 3m7i h GLU 301 N 0.66 0.80 -0.83 2.33 4.81 -1.02 -2.00 114.58 119.32 3m7i h GLU 301 Ca 0.19 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3m7i h GLU 301 Cb -0.06 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.12 3m7i h GLU 301 CO -0.05 0.60 0.54 0.00 -0.73 0.00 0.00 179.01 179.37 3m7i h ALA 302 N 1.15 1.09 -0.68 2.92 0.00 -0.89 0.43 119.26 123.28 3m7i h ALA 302 Ca 0.20 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3m7i h ALA 302 Cb 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3m7i h ALA 302 CO -0.03 0.38 0.20 0.87 0.00 0.00 0.00 179.25 180.67 3m7i h LYS 303 N 1.05 1.07 -0.37 0.00 1.57 -1.10 -0.95 116.57 117.85 3m7i h LYS 303 Ca 0.33 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3m7i h LYS 303 Cb -0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3m7i h LYS 303 CO -0.11 0.93 0.11 2.35 -0.57 0.00 0.00 179.45 182.17 3m7i h TRP 304 N 1.01 0.59 -0.15 -1.35 7.01 -0.80 -2.20 115.95 120.05 3m7i h TRP 304 Ca 0.22 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.16 3m7i h TRP 304 Cb 0.32 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 3m7i h TRP 304 CO 0.02 0.57 0.10 0.87 -2.79 0.00 0.00 178.44 177.21 3m7i h LYS 305 N 0.44 0.20 -0.49 2.65 1.57 -0.60 0.17 116.57 120.51 3m7i h LYS 305 Ca 0.12 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3m7i h LYS 305 Cb 0.26 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3m7i h LYS 305 CO -0.00 0.13 0.03 -0.44 -0.57 0.00 0.00 179.45 178.59 3m7i h ASP 306 N 0.20 0.82 -0.72 0.86 3.32 -0.85 -1.55 116.42 118.49 3m7i h ASP 306 Ca 0.06 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 3m7i h ASP 306 Cb -0.02 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 3m7i h ASP 306 CO -0.01 0.91 0.32 0.11 -1.72 0.00 0.00 179.24 178.85 3m7i h LYS 307 N 0.70 1.08 -0.73 3.56 1.57 -0.56 -2.47 116.57 119.72 3m7i h LYS 307 Ca 0.14 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3m7i h LYS 307 Cb 0.48 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 3m7i h LYS 307 CO 0.02 0.86 0.43 1.25 -0.57 0.00 0.00 179.45 181.44 3m7i h LEU 308 N 1.06 0.89 -1.33 2.94 5.85 -0.40 -2.47 115.31 121.85 3m7i h LEU 308 Ca 0.25 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 3m7i h LEU 308 Cb 0.16 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3m7i h LEU 308 CO -0.03 0.70 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.52 3m7i h GLU 309 N 1.00 0.24 0.00 1.25 4.57 -0.84 -1.18 114.58 119.62 3m7i h GLU 309 Ca 0.26 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 3m7i h GLU 309 Cb -0.02 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3m7i h GLU 309 CO -0.05 0.41 0.00 1.63 -1.18 0.00 0.00 179.01 179.82 3m7i n LYS 310 N -4.23 0.00 -2.63 1.92 5.02 -1.03 -4.92 118.16 112.28 3m7i n LYS 310 Ca -0.01 0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 3m7i n LYS 310 Cb 0.30 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.76 3m7i n LYS 310 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3m7i s SER 311 N -3.01 7.08 0.00 4.39 0.15 -0.45 -4.93 113.70 116.92 3m7i s SER 311 Ca 0.14 1.99 0.12 0.00 0.70 0.00 0.00 55.95 58.90 3m7i s SER 311 Cb 0.19 -2.59 0.61 0.00 -1.71 0.00 0.00 66.02 62.52 3m7i s SER 311 CO 0.52 -0.26 1.33 0.00 1.20 0.00 0.00 173.24 176.03 3m7i n ALA 312 N 0.38 1.70 -0.54 5.45 0.00 -1.26 -3.74 120.51 122.51 3m7i n ALA 312 Ca 0.03 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.49 3m7i n ALA 312 Cb 0.49 -1.20 0.23 0.00 0.00 0.00 0.00 19.45 18.97 3m7i n ALA 312 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3m7i n LYS 313 N -1.33 3.04 -0.17 0.00 4.76 -1.26 -4.58 118.16 118.62 3m7i n LYS 313 Ca 0.05 -2.47 -0.08 0.00 -2.87 0.00 0.00 58.31 52.93 3m7i n LYS 313 Cb 0.11 -1.58 0.01 0.00 -1.84 0.00 0.00 35.03 31.73 3m7i n LYS 313 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3m7i h LYS 314 N 2.32 0.74 -0.48 1.97 1.57 -1.82 -1.34 116.57 119.54 3m7i h LYS 314 Ca 0.00 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 3m7i h LYS 314 Cb 1.10 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 3m7i h LYS 314 CO 0.12 0.68 0.07 0.93 -0.57 0.00 0.00 179.45 180.67 3m7i h GLU 315 N 0.65 0.80 0.02 3.15 5.08 -1.90 -1.87 114.58 120.50 3m7i h GLU 315 Ca 0.16 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3m7i h GLU 315 Cb 0.23 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3m7i h GLU 315 CO -0.01 0.81 -0.05 1.25 -1.00 0.00 0.00 179.01 180.01 3m7i h LEU 316 N 0.67 -0.13 -1.07 1.33 5.85 -1.84 -1.43 115.31 118.70 3m7i h LEU 316 Ca 0.14 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3m7i h LEU 316 Cb 0.40 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 3m7i h LEU 316 CO 0.01 -0.07 0.63 0.25 -0.34 0.00 0.00 178.44 178.92 3m7i h LEU 317 N -0.09 1.07 -1.07 2.25 5.85 -1.14 -0.58 115.31 121.58 3m7i h LEU 317 Ca 0.01 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3m7i h LEU 317 Cb 0.11 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3m7i h LEU 317 CO -0.04 0.75 -0.21 -0.33 -0.34 0.00 0.00 178.44 178.27 3m7i h GLU 318 N 1.25 0.40 -0.38 1.25 4.39 -0.92 -0.96 114.58 119.61 3m7i h GLU 318 Ca 0.37 -0.13 -0.11 0.00 0.34 0.00 0.00 59.36 59.82 3m7i h GLU 318 Cb -0.06 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 3m7i h GLU 318 CO -0.10 0.60 -0.22 0.00 -1.16 0.00 0.00 179.01 178.13 3m7i h ARG 319 N 0.37 0.74 -0.76 2.33 3.08 -0.09 -2.13 114.38 117.92 3m7i h ARG 319 Ca 0.06 -0.29 -0.06 0.00 0.07 0.00 0.00 59.98 59.76 3m7i h ARG 319 Cb 0.58 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 3m7i h ARG 319 CO 0.04 0.89 0.24 -0.07 -1.07 0.00 0.00 179.97 180.01 3m7i h LEU 320 N 0.65 1.10 -0.28 3.04 3.38 -0.66 -2.74 115.31 119.79 3m7i h LEU 320 Ca 0.09 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3m7i h LEU 320 Cb 0.71 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3m7i h LEU 320 CO 0.05 1.01 -0.01 -0.07 0.09 0.00 0.00 178.44 179.51 3m7i h LEU 321 N 1.12 0.00 -5.85 1.67 3.38 -1.09 -3.37 115.31 111.17 3m7i h LEU 321 Ca 0.24 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.69 3m7i h LEU 321 Cb 0.30 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.65 3m7i h LEU 321 CO -0.01 0.01 -1.03 0.59 0.09 0.00 0.00 178.44 178.09 3m7i n ASN 322 N -3.10 1.72 -4.76 -0.43 3.02 -0.81 -5.09 115.26 105.80 3m7i n ASN 322 Ca 0.03 -3.14 -0.39 0.00 -0.03 0.00 0.00 54.58 51.05 3m7i n ASN 322 Cb 0.49 -0.61 0.02 0.00 -0.61 0.00 0.00 39.78 39.07 3m7i n ASN 322 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3m7i s PRO 323 N -2.51 3.54 -0.48 3.52 0.04 -1.10 -4.80 135.00 133.21 3m7i s PRO 323 Ca 0.41 2.19 -0.10 0.00 0.04 0.00 0.00 61.00 63.55 3m7i s PRO 323 Cb 0.30 -2.48 0.12 0.00 0.04 0.00 0.00 34.50 32.48 3m7i s PRO 323 CO -0.09 -0.85 0.36 0.34 0.04 0.00 0.00 177.00 176.80 3m7i s ASP 324 N -0.86 5.75 0.18 6.66 2.15 -1.26 -4.92 116.67 124.36 3m7i s ASP 324 Ca 0.65 -1.92 0.13 0.00 0.43 0.00 0.00 52.55 51.84 3m7i s ASP 324 Cb -0.39 -2.03 -0.07 0.00 -0.30 0.00 0.00 42.92 40.14 3m7i s ASP 324 CO 0.48 -0.71 1.25 -0.26 -0.17 0.00 0.00 175.17 175.76 3m7i h PHE 325 N 8.47 0.00 0.00 -5.34 0.04 -1.98 -3.34 116.94 114.79 3m7i h PHE 325 Ca -0.21 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.50 3m7i h PHE 325 Cb 1.07 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.22 3m7i h PHE 325 CO 0.65 0.69 -0.24 -0.91 -0.60 0.00 0.00 178.31 177.90 3m7i h ASN 326 N 0.00 0.00 1.09 2.17 2.35 -2.00 -3.01 115.58 116.19 3m7i h ASN 326 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3m7i h ASN 326 Cb 1.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.94 3m7i h ASN 326 CO 0.08 0.24 0.00 2.29 -1.65 0.00 0.00 177.43 178.39 3m7i n LYS 327 N -3.50 0.09 -2.20 0.81 2.85 -1.25 -4.89 118.16 110.06 3m7i n LYS 327 Ca -0.00 0.11 -0.42 0.00 -1.05 0.00 0.00 58.31 56.94 3m7i n LYS 327 Cb 0.40 -1.61 -0.03 0.00 -0.65 0.00 0.00 35.03 33.14 3m7i n LYS 327 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3m7i s ILE 328 N -3.05 3.42 -0.46 0.58 1.01 -1.14 -4.97 121.20 116.60 3m7i s ILE 328 Ca 0.12 1.01 -0.19 0.00 0.00 0.00 0.00 60.65 61.59 3m7i s ILE 328 Cb 0.16 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 39.01 3m7i s ILE 328 CO 0.52 0.07 0.57 0.00 0.00 0.00 0.00 174.94 176.11 3m7i s ALA 329 N 1.18 3.39 0.64 9.38 0.00 -1.26 -5.07 121.76 130.02 3m7i s ALA 329 Ca 0.64 -1.51 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 3m7i s ALA 329 Cb -0.36 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 3m7i s ALA 329 CO 0.30 -1.81 1.04 0.71 0.00 0.00 0.00 175.76 176.00 3m7i s TYR 330 N 2.53 3.48 0.61 0.00 2.02 -1.26 -5.03 117.35 119.71 3m7i s TYR 330 Ca 0.16 1.32 -0.18 0.00 -0.37 0.00 0.00 57.07 58.00 3m7i s TYR 330 Cb -0.17 -2.77 -0.03 0.00 -0.40 0.00 0.00 41.96 38.59 3m7i s TYR 330 CO 0.15 -0.85 1.20 -2.14 -1.57 0.00 0.00 175.55 172.33 3m7i s PRO 331 N -5.15 2.88 -0.42 -1.71 0.02 -1.26 -4.98 135.00 124.38 3m7i s PRO 331 Ca 0.56 1.78 -0.13 0.00 0.02 0.00 0.00 61.00 63.23 3m7i s PRO 331 Cb -0.12 -1.92 0.05 0.00 0.02 0.00 0.00 34.50 32.53 3m7i s PRO 331 CO 0.54 -1.26 0.29 0.34 -0.33 0.00 0.00 177.00 176.58 3m7i s ASP 332 N -1.73 5.91 -0.03 2.53 2.15 -1.26 -4.93 116.67 119.31 3m7i s ASP 332 Ca 0.76 -1.18 0.19 0.00 0.43 0.00 0.00 52.55 52.75 3m7i s ASP 332 Cb -0.29 -2.09 0.60 0.00 -0.30 0.00 0.00 42.92 40.84 3m7i s ASP 332 CO 0.35 -0.51 1.51 0.49 -0.17 0.00 0.00 175.17 176.83 3m7i n PHE 333 N 5.07 1.00 -1.67 -5.34 3.72 -1.26 -4.98 117.46 114.00 3m7i n PHE 333 Ca -0.11 -0.54 -0.47 0.00 -0.05 0.00 0.00 57.45 56.28 3m7i n PHE 333 Cb 0.45 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.87 3m7i n PHE 333 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3m7i n LYS 334 N 1.25 2.20 -0.99 -1.08 4.81 -1.26 -1.50 118.16 121.59 3m7i n LYS 334 Ca 0.22 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 3m7i n LYS 334 Cb 0.66 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 33.10 3m7i n LYS 334 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3m7i n GLY 335 N 3.83 0.58 3.57 3.14 0.00 -1.26 -5.01 105.19 110.04 3m7i n GLY 335 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3m7i n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m7i s LYS 336 N -0.17 3.90 -0.18 1.61 1.02 -0.56 -4.84 119.74 120.52 3m7i s LYS 336 Ca 0.00 -0.35 -0.29 0.00 0.02 0.00 0.00 55.97 55.35 3m7i s LYS 336 Cb 0.00 -3.49 -0.00 0.00 -0.52 0.00 0.00 37.83 33.82 3m7i s LYS 336 CO 0.00 -0.07 1.11 -0.51 -0.92 0.00 0.00 175.35 174.96 3m7i s ASP 337 N 1.38 7.07 0.07 2.83 1.01 -1.26 -4.10 116.67 123.67 3m7i s ASP 337 Ca 0.06 1.52 -0.19 0.00 0.71 0.00 0.00 52.55 54.65 3m7i s ASP 337 Cb -0.15 -2.54 0.04 0.00 1.01 0.00 0.00 42.92 41.28 3m7i s ASP 337 CO 0.06 -0.66 0.45 -1.48 0.21 0.00 0.00 175.17 173.75 3m7i s LEU 338 N 3.05 0.22 0.35 1.23 0.05 -0.73 -4.89 118.68 117.96 3m7i s LEU 338 Ca 0.48 -0.01 -0.27 0.00 0.05 0.00 0.00 54.13 54.38 3m7i s LEU 338 Cb -0.18 1.91 -0.09 0.00 -2.05 0.00 0.00 46.19 45.78 3m7i s LEU 338 CO 0.11 -0.73 1.18 0.00 -0.55 0.00 0.00 176.35 176.36 3m7i s ALA 339 N -2.79 3.30 -0.78 1.48 0.00 -1.26 -1.08 121.76 120.63 3m7i s ALA 339 Ca -0.03 1.00 0.25 0.00 0.00 0.00 0.00 51.96 53.18 3m7i s ALA 339 Cb -0.00 -3.38 0.93 0.00 0.00 0.00 0.00 23.12 20.67 3m7i s ALA 339 CO -0.05 -0.44 1.76 0.25 0.00 0.00 0.00 175.76 177.28 3m7i n THR 340 N 0.53 0.56 0.03 0.00 -2.24 -1.25 -1.04 114.28 110.87 3m7i n THR 340 Ca 0.02 -0.02 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 3m7i n THR 340 Cb 0.45 -0.76 0.39 0.00 -2.10 0.00 0.00 70.33 68.31 3m7i n THR 340 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3m7i h ARG 341 N 0.00 0.46 0.03 -0.78 0.11 -1.79 -1.19 114.38 111.22 3m7i h ARG 341 Ca 0.00 -0.06 -0.08 0.00 0.10 0.00 0.00 59.98 59.94 3m7i h ARG 341 Cb 0.52 -0.09 0.01 0.00 1.11 0.00 0.00 29.97 31.52 3m7i h ARG 341 CO 0.00 0.41 -0.33 -0.44 0.10 0.00 0.00 179.97 179.70 3m7i h ASP 342 N 0.46 0.25 -0.98 0.08 3.32 -1.37 -1.63 116.42 116.54 3m7i h ASP 342 Ca 0.11 -0.86 0.06 0.00 0.02 0.00 0.00 57.03 56.37 3m7i h ASP 342 Cb 0.13 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 3m7i h ASP 342 CO -0.01 1.07 0.64 0.77 -1.72 0.00 0.00 179.24 179.99 3m7i h SER 343 N -0.55 1.02 -0.03 6.45 4.64 -1.48 -2.32 113.55 121.28 3m7i h SER 343 Ca -0.05 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.10 3m7i h SER 343 Cb 1.15 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3m7i h SER 343 CO 0.06 0.65 -0.59 -1.13 -0.87 0.00 0.00 176.83 174.95 3m7i h ASN 344 N 1.15 0.71 -0.64 4.97 -0.73 -1.18 -1.95 115.58 117.91 3m7i h ASN 344 Ca 0.42 -0.40 -0.06 0.00 1.87 0.00 0.00 56.30 58.13 3m7i h ASN 344 Cb 0.16 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 38.52 3m7i h ASN 344 CO -0.16 1.14 0.17 1.23 -0.37 0.00 0.00 177.43 179.43 3m7i h GLY 345 N 0.96 1.11 1.01 1.57 0.00 -0.97 0.88 103.07 107.64 3m7i h GLY 345 Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.66 3m7i h GLY 345 CO 0.12 0.63 0.62 0.83 0.00 0.00 0.00 176.54 178.74 3m7i h GLU 346 N 0.99 1.29 -0.33 4.80 4.39 -1.09 -2.15 114.58 122.49 3m7i h GLU 346 Ca 0.21 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 3m7i h GLU 346 Cb 0.34 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3m7i h GLU 346 CO -0.00 0.87 0.03 0.82 -1.16 0.00 0.00 179.01 179.57 3m7i h ILE 347 N 1.32 1.25 -0.60 3.13 2.04 -0.64 -2.37 117.51 121.63 3m7i h ILE 347 Ca 0.35 -0.89 0.11 0.00 1.00 0.00 0.00 64.86 65.44 3m7i h ILE 347 Cb -0.12 1.19 -0.09 0.00 -0.74 0.00 0.00 36.82 37.06 3m7i h ILE 347 CO -0.07 0.29 0.14 -0.07 0.00 0.00 0.00 178.15 178.44 3m7i h LEU 348 N 0.37 0.02 -0.69 1.44 3.38 -0.66 0.75 115.31 119.94 3m7i h LEU 348 Ca 0.10 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3m7i h LEU 348 Cb 0.40 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3m7i h LEU 348 CO 0.01 0.02 0.44 0.78 0.09 0.00 0.00 178.44 179.77 3m7i h ASN 349 N 0.27 0.81 -0.36 -0.43 2.35 -1.17 -0.24 115.58 116.82 3m7i h ASN 349 Ca 0.32 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 3m7i h ASN 349 Cb 0.47 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 3m7i h ASN 349 CO -0.40 0.61 0.18 0.58 -1.65 0.00 0.00 177.43 176.75 3m7i h VAL 350 N 0.93 1.15 -0.58 2.81 2.07 -0.87 -1.18 116.25 120.59 3m7i h VAL 350 Ca 0.25 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 3m7i h VAL 350 Cb -0.07 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3m7i h VAL 350 CO -0.05 0.16 0.09 -0.07 0.02 0.00 0.00 177.57 177.71 3m7i h LEU 351 N 0.44 0.90 -0.95 2.57 3.38 -0.47 -1.72 115.31 119.46 3m7i h LEU 351 Ca 0.12 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3m7i h LEU 351 Cb 0.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3m7i h LEU 351 CO -0.02 0.91 -0.33 0.00 0.09 0.00 0.00 178.44 179.09 3m7i h ALA 352 N 1.20 1.11 -0.03 1.53 0.00 -0.67 -0.37 119.26 122.03 3m7i h ALA 352 Ca 0.18 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 3m7i h ALA 352 Cb 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3m7i h ALA 352 CO 0.01 0.57 -0.66 0.87 0.00 0.00 0.00 179.25 180.04 3m7i h LYS 353 N 0.31 0.15 0.00 0.00 1.57 -0.97 -3.32 116.57 114.30 3m7i h LYS 353 Ca 0.04 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3m7i h LYS 353 Cb 0.74 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3m7i h LYS 353 CO 0.06 0.75 -1.00 -0.91 -0.57 0.00 0.00 179.45 177.78 3m7i h ASN 354 N 0.11 0.00 -3.68 0.86 2.35 -0.86 -3.45 115.58 110.90 3m7i h ASN 354 Ca -0.01 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.12 3m7i h ASN 354 Cb 1.18 0.00 -0.38 0.00 0.05 0.00 0.00 38.32 39.17 3m7i h ASN 354 CO 0.10 0.12 -0.79 -0.76 -1.65 0.00 0.00 177.43 174.45 3m7i s LEU 355 N -5.53 2.74 0.54 1.61 1.43 -0.19 -4.98 118.68 114.30 3m7i s LEU 355 Ca -0.00 -1.22 0.29 0.00 -1.03 0.00 0.00 54.13 52.16 3m7i s LEU 355 Cb 0.09 -1.25 1.52 0.00 0.03 0.00 0.00 46.19 46.58 3m7i s LEU 355 CO 0.79 -0.23 2.10 -0.33 0.23 0.00 0.00 176.35 178.90 3m7i h GLU 356 N 7.92 0.00 -0.22 1.70 5.08 -1.87 -1.87 114.58 125.32 3m7i h GLU 356 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3m7i h GLU 356 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3m7i h GLU 356 CO 0.42 0.10 0.00 0.41 -1.00 0.00 0.00 179.01 178.94 3m7i n GLY 357 N -0.71 1.07 3.65 -3.84 0.00 -1.26 -4.93 105.19 99.17 3m7i n GLY 357 Ca -0.02 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3m7i n GLY 357 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3m7i s PHE 358 N -1.73 3.34 0.38 1.61 5.36 -0.70 -0.83 117.98 125.41 3m7i s PHE 358 Ca 0.35 1.09 -0.14 0.00 -0.96 0.00 0.00 56.93 57.26 3m7i s PHE 358 Cb 0.21 -2.98 0.05 0.00 -0.34 0.00 0.00 43.02 39.96 3m7i s PHE 358 CO 0.30 -0.32 0.75 -0.48 -1.46 0.00 0.00 175.22 174.01 3m7i s LEU 359 N 2.51 0.12 0.00 6.12 2.34 -1.01 -4.74 118.68 124.02 3m7i s LEU 359 Ca 0.34 -1.17 0.00 0.00 0.06 0.00 0.00 54.13 53.35 3m7i s LEU 359 Cb -0.16 2.68 0.00 0.00 -0.56 0.00 0.00 46.19 48.16 3m7i s LEU 359 CO 0.09 -1.64 0.00 0.61 -1.06 0.00 0.00 176.35 174.35 3m7i n GLY 360 N -0.53 -0.44 0.00 -3.48 0.00 -1.18 -1.30 105.19 98.26 3m7i n GLY 360 Ca -0.07 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3m7i n GLY 360 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m7i n GLY 361 N 0.00 -1.05 3.54 -0.02 0.00 -0.88 -1.08 105.19 105.71 3m7i n GLY 361 Ca 0.00 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 3m7i n GLY 361 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3m7i s SER 362 N -4.00 3.98 -1.27 1.61 0.15 -1.23 -1.56 113.70 111.38 3m7i s SER 362 Ca 0.00 -0.87 -0.14 0.00 0.70 0.00 0.00 55.95 55.64 3m7i s SER 362 Cb 0.00 -0.53 0.13 0.00 -1.71 0.00 0.00 66.02 63.92 3m7i s SER 362 CO 0.00 0.03 1.66 0.00 1.20 0.00 0.00 173.24 176.12 3m7i n ALA 363 N -0.72 4.19 -1.00 5.45 0.00 -0.38 -2.79 120.51 125.26 3m7i n ALA 363 Ca -0.06 -4.12 -0.00 0.00 0.00 0.00 0.00 53.44 49.26 3m7i n ALA 363 Cb 0.59 -3.23 -0.00 0.00 0.00 0.00 0.00 19.45 16.82 3m7i n ALA 363 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3m7i n ASP 364 N 6.10 -5.69 -0.54 0.00 2.03 -1.07 -4.51 116.55 112.87 3m7i n ASP 364 Ca 0.42 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.81 3m7i n ASP 364 Cb 0.42 -3.19 0.20 0.00 -0.72 0.00 0.00 41.12 37.84 3m7i n ASP 364 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3m7i n LEU 365 N -0.00 3.20 -0.25 -2.67 4.77 -1.26 -4.83 117.00 115.96 3m7i n LEU 365 Ca -0.00 -3.12 -0.04 0.00 -0.03 0.00 0.00 56.01 52.82 3m7i n LEU 365 Cb 0.45 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 41.05 3m7i n LEU 365 CO 0.00 0.74 0.62 1.23 -1.33 0.00 0.00 177.39 178.66 3m7i h GLY 366 N 0.95 -0.05 2.00 -0.72 0.00 -1.90 0.65 103.07 104.00 3m7i h GLY 366 Ca 0.01 0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 3m7i h GLY 366 CO 0.13 -0.21 -0.10 -2.55 0.00 0.00 0.00 176.54 173.81 3m7i h PRO 367 N -0.12 0.00 0.02 4.80 0.11 -1.97 0.41 132.00 135.26 3m7i h PRO 367 Ca 0.26 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 66.01 3m7i h PRO 367 Cb 0.56 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.62 3m7i h PRO 367 CO -0.76 0.10 -2.25 0.45 -0.21 0.00 0.00 178.00 175.33 3m7i n SER 368 N -3.87 1.28 0.18 -2.05 2.88 0.11 -4.10 113.62 108.04 3m7i n SER 368 Ca -0.02 0.05 0.13 0.00 -1.33 0.00 0.00 58.87 57.70 3m7i n SER 368 Cb 0.20 -0.04 0.43 0.00 -0.75 0.00 0.00 64.21 64.04 3m7i n SER 368 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3m7i h ASN 369 N 0.01 0.00 -4.84 -3.46 2.35 0.21 -3.48 115.58 106.37 3m7i h ASN 369 Ca -0.50 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 54.96 3m7i h ASN 369 Cb 2.04 0.00 0.12 0.00 0.05 0.00 0.00 38.32 40.53 3m7i h ASN 369 CO 0.00 0.00 -0.57 0.29 -1.65 0.00 0.00 177.43 175.50 3m7i n LYS 370 N -2.65 -5.76 -0.05 0.81 4.76 0.10 -4.78 118.16 110.59 3m7i n LYS 370 Ca 0.03 0.66 0.05 0.00 -2.87 0.00 0.00 58.31 56.18 3m7i n LYS 370 Cb 0.38 -5.16 0.07 0.00 -1.84 0.00 0.00 35.03 28.49 3m7i n LYS 370 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3m7i n THR 371 N -3.98 0.32 -1.91 -0.18 -2.24 -0.98 -4.00 114.28 101.31 3m7i n THR 371 Ca -0.11 -0.66 -0.42 0.00 -2.27 0.00 0.00 64.05 60.60 3m7i n THR 371 Cb 0.59 0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 69.78 3m7i n THR 371 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3m7i s GLU 372 N -0.88 4.20 -0.52 -0.78 2.12 -1.26 -4.92 118.70 116.66 3m7i s GLU 372 Ca 0.15 2.41 -0.18 0.00 0.36 0.00 0.00 54.97 57.70 3m7i s GLU 372 Cb 0.09 -3.10 0.07 0.00 0.26 0.00 0.00 34.13 31.45 3m7i s GLU 372 CO 0.13 -0.56 0.60 -0.51 -0.54 0.00 0.00 175.26 174.37 3m7i s LEU 373 N 0.31 5.24 0.13 2.70 1.43 -1.26 -4.83 118.68 122.40 3m7i s LEU 373 Ca 0.66 -1.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.31 3m7i s LEU 373 Cb -0.45 -2.36 -0.07 0.00 0.03 0.00 0.00 46.19 43.35 3m7i s LEU 373 CO 0.39 -0.90 1.20 -1.00 0.23 0.00 0.00 176.35 176.26 3m7i s HIS 374 N 2.42 3.44 -0.46 0.29 3.76 -1.26 -4.36 115.29 119.13 3m7i s HIS 374 Ca 0.12 1.37 -0.02 0.00 -0.15 0.00 0.00 55.06 56.38 3m7i s HIS 374 Cb -0.22 -3.42 0.00 0.00 1.11 0.00 0.00 32.58 30.05 3m7i s HIS 374 CO 0.09 -1.23 0.45 0.43 -0.85 0.00 0.00 174.74 173.64 3m7i n SER 375 N 3.11 -5.87 -3.65 1.40 7.64 -1.26 -5.11 113.62 109.87 3m7i n SER 375 Ca 0.06 0.02 -0.07 0.00 1.01 0.00 0.00 58.87 59.89 3m7i n SER 375 Cb 0.45 -3.88 -0.01 0.00 -1.01 0.00 0.00 64.21 59.77 3m7i n SER 375 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3m7i s GLY 377 N -2.57 -0.01 -0.03 0.23 0.00 -1.26 -5.09 107.32 98.59 3m7i s GLY 377 Ca 0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 44.72 44.37 3m7i s GLY 377 CO 0.50 -0.05 0.14 0.99 0.00 0.00 0.00 173.10 174.68 3m7i s ASP 378 N -2.97 6.12 0.31 1.64 1.01 -1.26 -1.26 116.67 120.26 3m7i s ASP 378 Ca 0.12 0.30 -0.28 0.00 0.71 0.00 0.00 52.55 53.41 3m7i s ASP 378 Cb -0.05 -1.88 -0.13 0.00 1.01 0.00 0.00 42.92 41.87 3m7i s ASP 378 CO 0.07 0.30 1.12 0.33 0.21 0.00 0.00 175.17 177.20 3m7i n PHE 379 N 1.27 1.66 0.12 4.23 -0.00 -0.20 -0.19 117.46 124.35 3m7i n PHE 379 Ca -0.14 0.64 0.09 0.00 -0.00 0.00 0.00 57.45 58.05 3m7i n PHE 379 Cb 0.53 -2.31 0.02 0.00 -0.00 0.00 0.00 39.48 37.72 3m7i n PHE 379 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.76 176.52 3m7i h VAL 380 N 2.19 0.13 -0.23 -2.13 3.04 -1.97 -3.44 116.25 113.83 3m7i h VAL 380 Ca -0.42 -1.23 -0.06 0.00 -1.01 0.00 0.00 66.70 63.98 3m7i h VAL 380 Cb 1.32 1.74 -0.01 0.00 -2.01 0.00 0.00 31.29 32.32 3m7i h VAL 380 CO 0.61 0.07 -0.12 -0.33 -1.01 0.00 0.00 177.57 176.79 3m7i h GLU 381 N 0.00 0.38 0.00 4.17 3.07 -1.92 -3.45 114.58 116.83 3m7i h GLU 381 Ca -0.02 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 3m7i h GLU 381 Cb 1.11 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3m7i h GLU 381 CO 0.01 0.51 0.00 0.41 -1.40 0.00 0.00 179.01 178.54 3m7i n GLY 382 N -0.75 6.68 0.05 -3.84 0.00 0.74 -4.92 105.19 103.14 3m7i n GLY 382 Ca 0.00 -2.05 0.01 0.00 0.00 0.00 0.00 46.02 43.98 3m7i n GLY 382 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m7i n LYS 383 N -0.02 0.77 -2.53 1.61 5.02 -1.01 -3.61 118.16 118.38 3m7i n LYS 383 Ca 0.00 -0.10 -0.43 0.00 -2.02 0.00 0.00 58.31 55.76 3m7i n LYS 383 Cb 0.00 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.51 3m7i n LYS 383 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3m7i s ASN 384 N -4.74 7.06 -0.20 4.39 0.01 -0.39 -3.08 114.94 117.98 3m7i s ASN 384 Ca -0.08 1.62 -0.08 0.00 -0.71 0.00 0.00 52.86 53.61 3m7i s ASN 384 Cb 0.09 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 3m7i s ASN 384 CO 0.80 -0.65 0.07 -0.63 -1.51 0.00 0.00 177.10 175.19 3m7i s ILE 385 N 2.88 4.72 -0.75 0.60 1.01 -0.24 -1.03 121.20 128.39 3m7i s ILE 385 Ca 0.51 -0.05 -0.16 0.00 0.00 0.00 0.00 60.65 60.95 3m7i s ILE 385 Cb -0.20 -3.15 0.17 0.00 0.01 0.00 0.00 42.46 39.29 3m7i s ILE 385 CO 0.15 0.42 0.75 -1.00 0.00 0.00 0.00 174.94 175.25 3m7i s HIS 386 N 0.76 3.47 -0.81 3.97 3.76 -1.26 -3.58 115.29 121.60 3m7i s HIS 386 Ca 0.04 -1.62 0.25 0.00 -0.15 0.00 0.00 55.06 53.58 3m7i s HIS 386 Cb -0.13 -3.90 0.95 0.00 1.11 0.00 0.00 32.58 30.60 3m7i s HIS 386 CO 0.02 -1.10 1.77 1.19 -0.85 0.00 0.00 174.74 175.77 3m7i n PHE 387 N 4.90 0.50 -4.42 1.40 3.72 -1.12 -4.99 117.46 117.45 3m7i n PHE 387 Ca 0.06 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 3m7i n PHE 387 Cb 0.45 -0.76 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 3m7i n PHE 387 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3m7i n GLY 388 N 0.97 -1.58 2.67 1.37 0.00 -1.26 -4.25 105.19 103.10 3m7i n GLY 388 Ca 0.05 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 3m7i n GLY 388 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3m7i n ILE 389 N -0.82 4.09 -3.10 -0.61 -0.00 -1.26 -2.59 119.36 115.07 3m7i n ILE 389 Ca 0.00 -3.54 -0.17 0.00 -0.00 0.00 0.00 62.75 59.04 3m7i n ILE 389 Cb 0.00 -2.47 -0.01 0.00 -0.00 0.00 0.00 39.64 37.16 3m7i n ILE 389 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 3m7i n ARG 390 N 4.45 0.93 -0.12 0.38 1.74 -1.26 -4.99 116.66 117.79 3m7i n ARG 390 Ca 0.54 -3.06 -0.08 0.00 -0.77 0.00 0.00 57.85 54.48 3m7i n ARG 390 Cb 0.34 -1.51 0.01 0.00 -1.02 0.00 0.00 32.46 30.27 3m7i n ARG 390 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3m7i h GLU 391 N 3.19 0.44 0.61 5.56 3.07 -1.91 -3.19 114.58 122.35 3m7i h GLU 391 Ca 0.05 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 3m7i h GLU 391 Cb 0.98 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 28.80 3m7i h GLU 391 CO 0.43 0.29 -0.29 1.25 -1.40 0.00 0.00 179.01 179.28 3m7i h HIS 392 N 0.45 -0.76 0.00 4.33 2.76 -1.92 -2.26 115.15 117.75 3m7i h HIS 392 Ca 0.15 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3m7i h HIS 392 Cb 0.00 0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.21 3m7i h HIS 392 CO -0.07 -0.46 0.00 0.00 -1.30 0.00 0.00 177.93 176.10 3m7i n ALA 393 N -2.47 1.34 0.00 5.26 0.00 -1.21 -1.85 120.51 121.58 3m7i n ALA 393 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3m7i n ALA 393 Cb 0.34 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3m7i n ALA 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m7i n ALA 395 N 1.78 0.00 -0.19 0.00 0.00 -0.85 -0.50 120.51 120.74 3m7i n ALA 395 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3m7i n ALA 395 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 3m7i n ALA 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m7i h ALA 396 N 0.00 0.86 -0.53 0.00 0.00 -1.65 0.96 119.26 118.91 3m7i h ALA 396 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.61 3m7i h ALA 396 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3m7i h ALA 396 CO 0.00 0.66 0.34 0.82 0.00 0.00 0.00 179.25 181.07 3m7i h ILE 397 N 0.94 1.11 0.00 0.00 2.04 -0.94 -2.76 117.51 117.89 3m7i h ILE 397 Ca 0.16 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 3m7i h ILE 397 Cb 0.57 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3m7i h ILE 397 CO 0.03 0.12 -0.48 0.78 0.00 0.00 0.00 178.15 178.61 3m7i h ASN 398 N 0.68 0.00 -0.97 1.72 2.35 -1.71 -0.60 115.58 117.06 3m7i h ASN 398 Ca 0.20 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 56.04 3m7i h ASN 398 Cb -0.04 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.25 3m7i h ASN 398 CO -0.06 0.48 0.62 0.78 -1.65 0.00 0.00 177.43 177.60 3m7i h ASN 399 N 0.00 0.93 -0.05 5.81 2.35 -0.55 -0.64 115.58 123.43 3m7i h ASN 399 Ca -0.00 0.03 -0.23 0.00 -0.55 0.00 0.00 56.30 55.54 3m7i h ASN 399 Cb 1.06 -0.17 0.02 0.00 0.05 0.00 0.00 38.32 39.28 3m7i h ASN 399 CO 0.06 0.55 -0.88 0.00 -1.65 0.00 0.00 177.43 175.51 3m7i h ALA 400 N 1.51 0.17 -0.93 -0.83 0.00 -1.07 -2.46 119.26 115.66 3m7i h ALA 400 Ca 0.45 -0.64 0.19 0.00 0.00 0.00 0.00 54.91 54.90 3m7i h ALA 400 Cb 0.35 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.06 3m7i h ALA 400 CO -0.20 0.62 0.50 0.74 0.00 0.00 0.00 179.25 180.91 3m7i h PHE 401 N 0.35 0.87 0.00 0.00 -1.00 -0.76 -0.59 116.94 115.81 3m7i h PHE 401 Ca -0.10 0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.67 3m7i h PHE 401 Cb 1.53 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 40.84 3m7i h PHE 401 CO 0.11 0.14 -0.24 0.00 -1.61 0.00 0.00 178.31 176.70 3m7i h ALA 402 N 1.64 1.08 0.00 2.45 0.00 -0.88 -2.85 119.26 120.71 3m7i h ALA 402 Ca 0.54 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3m7i h ALA 402 Cb 0.89 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3m7i h ALA 402 CO -0.42 0.30 -0.59 0.54 0.00 0.00 0.00 179.25 179.09 3m7i n ARG 403 N -3.50 0.00 -0.16 0.00 5.12 -0.40 -4.47 116.66 113.26 3m7i n ARG 403 Ca -0.00 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.83 3m7i n ARG 403 Cb 0.40 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 3m7i n ARG 403 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 3m7i h TYR 404 N 0.00 0.69 0.00 -1.55 3.20 -0.92 -3.47 116.97 114.92 3m7i h TYR 404 Ca 0.00 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3m7i h TYR 404 Cb 0.50 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.57 3m7i h TYR 404 CO 0.00 0.58 0.00 0.41 -1.64 0.00 0.00 178.16 177.51 3m7i n GLY 405 N -0.81 0.85 0.00 1.82 0.00 -1.26 -4.98 105.19 100.81 3m7i n GLY 405 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3m7i n GLY 405 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3m7i n ILE 406 N 0.00 0.16 -4.32 -0.61 -5.35 -1.26 -4.79 119.36 103.18 3m7i n ILE 406 Ca 0.00 -0.19 -0.28 0.00 -0.27 0.00 0.00 62.75 62.00 3m7i n ILE 406 Cb 0.00 1.17 -0.11 0.00 -1.74 0.00 0.00 39.64 38.96 3m7i n ILE 406 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3m7i s PHE 407 N -0.16 2.52 -0.48 4.28 0.08 -1.26 -4.49 117.98 118.47 3m7i s PHE 407 Ca 0.00 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 56.81 3m7i s PHE 407 Cb 0.00 -1.30 0.13 0.00 -0.57 0.00 0.00 43.02 41.28 3m7i s PHE 407 CO 0.00 0.43 0.25 -0.51 -0.10 0.00 0.00 175.22 175.29 3m7i s LEU 408 N -2.35 3.49 0.20 -0.37 1.43 -0.01 -4.60 118.68 116.46 3m7i s LEU 408 Ca 0.20 -2.83 -0.10 0.00 -1.03 0.00 0.00 54.13 50.36 3m7i s LEU 408 Cb -0.10 -1.33 -0.07 0.00 0.03 0.00 0.00 46.19 44.73 3m7i s LEU 408 CO 0.11 -0.25 0.52 -2.16 0.23 0.00 0.00 176.35 174.81 3m7i s PRO 409 N 0.01 3.81 0.01 1.29 0.04 -1.26 -2.39 135.00 136.51 3m7i s PRO 409 Ca 0.18 0.26 0.07 0.00 0.04 0.00 0.00 61.00 61.55 3m7i s PRO 409 Cb -0.25 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.55 3m7i s PRO 409 CO -0.00 0.37 -0.21 -0.59 0.04 0.00 0.00 177.00 176.60 3m7i s PHE 410 N -1.72 1.91 -0.12 0.56 -0.12 -0.42 -1.92 117.98 116.14 3m7i s PHE 410 Ca 0.44 -0.37 -0.01 0.00 -0.05 0.00 0.00 56.93 56.95 3m7i s PHE 410 Cb -0.12 -1.19 -0.02 0.00 -0.63 0.00 0.00 43.02 41.06 3m7i s PHE 410 CO 0.21 0.02 -0.10 -1.12 -0.05 0.00 0.00 175.22 174.17 3m7i s SER 411 N -0.76 4.25 -0.02 1.98 0.01 -0.40 -2.08 113.70 116.68 3m7i s SER 411 Ca 0.08 -0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.13 3m7i s SER 411 Cb -0.09 -1.54 -0.00 0.00 0.21 0.00 0.00 66.02 64.60 3m7i s SER 411 CO 0.00 0.20 -0.11 0.00 0.41 0.00 0.00 173.24 173.74 3m7i s ALA 412 N 0.15 0.96 0.33 1.44 0.00 -0.60 0.66 121.76 124.70 3m7i s ALA 412 Ca -0.05 -0.45 -0.16 0.00 0.00 0.00 0.00 51.96 51.29 3m7i s ALA 412 Cb -0.15 -0.29 0.06 0.00 0.00 0.00 0.00 23.12 22.75 3m7i s ALA 412 CO 0.04 0.21 0.84 -2.37 0.00 0.00 0.00 175.76 174.48 3m7i n THR 413 N 2.99 0.00 -2.19 0.00 5.66 -0.74 -1.24 114.28 118.76 3m7i n THR 413 Ca -0.16 -0.85 -0.39 0.00 -3.05 0.00 0.00 64.05 59.60 3m7i n THR 413 Cb 0.55 0.91 -0.01 0.00 -1.55 0.00 0.00 70.33 70.23 3m7i n THR 413 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 3m7i s PHE 414 N -2.26 2.97 0.48 1.09 0.08 -1.26 -2.32 117.98 116.76 3m7i s PHE 414 Ca 0.18 1.49 0.16 0.00 0.12 0.00 0.00 56.93 58.88 3m7i s PHE 414 Cb -0.04 -3.51 1.17 0.00 -0.57 0.00 0.00 43.02 40.06 3m7i s PHE 414 CO 0.10 -1.64 2.06 0.35 -0.10 0.00 0.00 175.22 175.98 3m7i h PHE 415 N 2.69 0.20 -0.71 0.36 3.57 -0.94 -0.02 116.94 122.09 3m7i h PHE 415 Ca -0.49 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.01 3m7i h PHE 415 Cb 1.24 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 3m7i h PHE 415 CO 0.54 0.11 0.42 0.97 -2.23 0.00 0.00 178.31 178.12 3m7i h ILE 416 N 0.20 1.20 -0.28 1.41 6.09 -1.82 -1.56 117.51 122.74 3m7i h ILE 416 Ca 0.15 -0.45 0.00 0.00 -1.37 0.00 0.00 64.86 63.20 3m7i h ILE 416 Cb 0.36 0.21 0.00 0.00 0.47 0.00 0.00 36.82 37.85 3m7i h ILE 416 CO -0.03 0.21 0.00 0.49 -3.07 0.00 0.00 178.15 175.75 3m7i n PHE 417 N -4.39 0.59 0.24 2.19 3.72 -0.04 -3.06 117.46 116.71 3m7i n PHE 417 Ca 0.07 -0.24 0.07 0.00 -0.05 0.00 0.00 57.45 57.30 3m7i n PHE 417 Cb 0.07 -0.11 0.59 0.00 -0.94 0.00 0.00 39.48 39.09 3m7i n PHE 417 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3m7i h SER 418 N 1.74 0.00 0.23 4.37 4.64 -1.10 -2.23 113.55 121.20 3m7i h SER 418 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3m7i h SER 418 Cb 0.69 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3m7i h SER 418 CO 0.08 0.11 -0.14 -0.33 -0.87 0.00 0.00 176.83 175.68 3m7i h GLU 419 N 0.00 0.00 0.00 4.77 5.08 -1.73 -0.69 114.58 122.01 3m7i h GLU 419 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3m7i h GLU 419 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3m7i h GLU 419 CO 0.01 0.14 -0.25 1.88 -1.00 0.00 0.00 179.01 179.79 3m7i h TYR 420 N 0.00 0.00 -0.01 4.33 -1.99 -1.66 -3.31 116.97 114.33 3m7i h TYR 420 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3m7i h TYR 420 Cb 0.29 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.02 3m7i h TYR 420 CO 0.00 0.25 -0.19 1.47 -0.00 0.00 0.00 178.16 179.69 3m7i n LEU 421 N -3.48 1.07 -0.32 3.88 -0.00 -0.73 -3.93 117.00 113.49 3m7i n LEU 421 Ca -0.00 -0.75 0.19 0.00 -0.00 0.00 0.00 56.01 55.45 3m7i n LEU 421 Cb 0.42 0.00 0.40 0.00 -0.00 0.00 0.00 43.42 44.24 3m7i n LEU 421 CO 0.34 0.22 1.06 0.50 -0.00 0.00 0.00 177.39 179.51 3m7i h LYS 422 N 0.90 0.31 -0.75 1.47 1.63 -1.26 -1.25 116.57 117.61 3m7i h LYS 422 Ca 0.00 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 3m7i h LYS 422 Cb 0.28 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.81 3m7i h LYS 422 CO 0.00 0.20 0.37 -1.35 -3.45 0.00 0.00 179.45 175.22 3m7i h PRO 423 N 0.32 1.07 -0.39 1.90 0.11 -1.86 -0.54 132.00 132.61 3m7i h PRO 423 Ca 0.66 -0.14 -0.12 0.00 0.11 0.00 0.00 66.00 66.51 3m7i h PRO 423 Cb 1.43 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3m7i h PRO 423 CO -0.61 0.82 -0.23 0.00 -0.21 0.00 0.00 178.00 177.77 3m7i h ALA 424 N 1.34 0.87 -0.88 -0.75 0.00 -1.61 -2.86 119.26 115.38 3m7i h ALA 424 Ca 0.26 -0.37 0.10 0.00 0.00 0.00 0.00 54.91 54.90 3m7i h ALA 424 Cb 0.10 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3m7i h ALA 424 CO -0.03 0.63 0.57 0.00 0.00 0.00 0.00 179.25 180.41 3m7i h ALA 425 N 1.07 1.67 -0.65 0.00 0.00 -0.71 -1.87 119.26 118.77 3m7i h ALA 425 Ca 0.09 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3m7i h ALA 425 Cb 0.74 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3m7i h ALA 425 CO 0.06 0.15 0.12 -0.09 0.00 0.00 0.00 179.25 179.48 3m7i h ARG 426 N 0.85 1.06 -0.11 0.00 2.43 -0.90 -1.93 114.38 115.78 3m7i h ARG 426 Ca 0.41 -0.27 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 3m7i h ARG 426 Cb 0.44 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3m7i h ARG 426 CO -0.18 0.96 -0.38 0.82 -1.51 0.00 0.00 179.97 179.68 3m7i h ILE 427 N 1.00 1.30 -0.86 1.20 1.08 -1.18 0.43 117.51 120.48 3m7i h ILE 427 Ca 0.20 -1.45 -0.02 0.00 -0.39 0.00 0.00 64.86 63.20 3m7i h ILE 427 Cb 0.41 1.64 -0.04 0.00 -3.07 0.00 0.00 36.82 35.76 3m7i h ILE 427 CO 0.01 0.43 0.47 0.00 -0.69 0.00 0.00 178.15 178.37 3m7i h ALA 428 N 1.41 1.21 0.01 1.87 0.00 -0.71 -2.97 119.26 120.07 3m7i h ALA 428 Ca 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3m7i h ALA 428 Cb 0.77 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3m7i h ALA 428 CO 0.06 0.64 -0.00 0.00 0.00 0.00 0.00 179.25 179.95 3m7i h ALA 429 N 1.31 -0.01 0.00 0.00 0.00 -0.68 -0.51 119.26 119.37 3m7i h ALA 429 Ca 0.30 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3m7i h ALA 429 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3m7i h ALA 429 CO -0.05 -0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.24 3m7i n LEU 430 N -4.84 0.00 -2.20 0.00 4.77 0.08 -4.76 117.00 110.05 3m7i n LEU 430 Ca -0.09 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.87 3m7i n LEU 430 Cb 0.27 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 3m7i n LEU 430 CO 0.33 0.00 0.47 0.29 -1.33 0.00 0.00 177.39 177.16 3m7i n LYS 432 N 0.36 0.28 -3.14 3.23 5.02 -0.23 -5.02 118.16 118.66 3m7i n LYS 432 Ca 0.00 -0.52 -0.27 0.00 -2.02 0.00 0.00 58.31 55.50 3m7i n LYS 432 Cb 0.00 0.04 -0.02 0.00 -0.02 0.00 0.00 35.03 35.04 3m7i n LYS 432 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3m7i s ILE 433 N 0.04 5.01 -0.96 -0.18 -4.36 -0.99 -4.50 121.20 115.25 3m7i s ILE 433 Ca 0.03 -0.04 -0.19 0.00 -0.26 0.00 0.00 60.65 60.19 3m7i s ILE 433 Cb 0.09 -3.81 0.12 0.00 1.25 0.00 0.00 42.46 40.11 3m7i s ILE 433 CO -0.02 -0.55 1.21 -0.54 0.24 0.00 0.00 174.94 175.27 3m7i s LYS 434 N -4.14 3.62 -0.04 0.37 -0.14 -1.26 -2.59 119.74 115.56 3m7i s LYS 434 Ca 0.44 -1.67 0.01 0.00 -1.36 0.00 0.00 55.97 53.39 3m7i s LYS 434 Cb -0.10 -5.02 0.02 0.00 -1.68 0.00 0.00 37.83 31.05 3m7i s LYS 434 CO 0.36 -1.86 -0.04 -1.58 -0.76 0.00 0.00 175.35 171.47 3m7i s HIS 435 N 3.12 0.69 -0.15 3.18 5.65 -1.26 -4.30 115.29 122.20 3m7i s HIS 435 Ca 0.36 -0.18 -0.04 0.00 0.25 0.00 0.00 55.06 55.46 3m7i s HIS 435 Cb -0.04 -0.63 -0.03 0.00 -1.18 0.00 0.00 32.58 30.71 3m7i s HIS 435 CO -0.09 -0.18 -0.04 -0.06 -0.65 0.00 0.00 174.74 173.72 3m7i s PHE 436 N 0.92 3.03 -0.24 3.88 0.08 -0.81 -3.48 117.98 121.37 3m7i s PHE 436 Ca -0.11 -0.28 -0.06 0.00 0.12 0.00 0.00 56.93 56.60 3m7i s PHE 436 Cb -0.14 -1.95 -0.02 0.00 -0.57 0.00 0.00 43.02 40.34 3m7i s PHE 436 CO -0.00 -0.02 0.01 -0.06 -0.10 0.00 0.00 175.22 175.05 3m7i s PHE 437 N 0.32 3.03 -0.33 0.36 0.08 -0.49 -1.28 117.98 119.67 3m7i s PHE 437 Ca -0.04 -0.72 -0.09 0.00 0.12 0.00 0.00 56.93 56.21 3m7i s PHE 437 Cb -0.14 -2.17 0.02 0.00 -0.57 0.00 0.00 43.02 40.15 3m7i s PHE 437 CO 0.03 -0.47 0.14 0.42 -0.10 0.00 0.00 175.22 175.24 3m7i s ILE 438 N 1.54 4.25 -0.30 0.64 -1.09 0.21 -0.28 121.20 126.16 3m7i s ILE 438 Ca 0.06 -0.75 0.03 0.00 -2.23 0.00 0.00 60.65 57.76 3m7i s ILE 438 Cb -0.15 -3.27 0.09 0.00 -1.58 0.00 0.00 42.46 37.55 3m7i s ILE 438 CO 0.00 -0.05 0.01 -0.36 -1.23 0.00 0.00 174.94 173.31 3m7i s PHE 439 N 1.52 3.17 0.73 3.97 0.08 0.36 -1.79 117.98 126.03 3m7i s PHE 439 Ca 0.02 -2.50 -0.03 0.00 0.12 0.00 0.00 56.93 54.54 3m7i s PHE 439 Cb -0.18 -2.35 0.12 0.00 -0.57 0.00 0.00 43.02 40.03 3m7i s PHE 439 CO 0.05 -0.90 1.01 0.95 -0.10 0.00 0.00 175.22 176.23 3m7i s THR 440 N 1.12 2.20 -0.98 0.64 -4.23 -0.98 -0.31 115.64 113.09 3m7i s THR 440 Ca 0.04 -0.49 -0.03 0.00 -1.18 0.00 0.00 61.69 60.03 3m7i s THR 440 Cb -0.19 -2.71 -0.03 0.00 1.34 0.00 0.00 72.50 70.91 3m7i s THR 440 CO -0.09 0.00 0.84 1.41 -0.54 0.00 0.00 174.62 176.23 3m7i n HIS 441 N -2.90 -2.04 1.17 3.99 8.25 -0.25 -0.42 115.22 123.03 3m7i n HIS 441 Ca 0.13 0.79 0.14 0.00 -0.26 0.00 0.00 57.72 58.52 3m7i n HIS 441 Cb 0.60 -4.32 0.68 0.00 1.12 0.00 0.00 29.99 28.07 3m7i n HIS 441 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3m7i n ASP 442 N -2.94 0.00 -2.61 0.41 5.75 -0.89 -4.36 116.55 111.92 3m7i n ASP 442 Ca -0.16 0.24 -0.09 0.00 -0.01 0.00 0.00 54.79 54.77 3m7i n ASP 442 Cb 0.63 -0.41 0.02 0.00 -1.03 0.00 0.00 41.12 40.32 3m7i n ASP 442 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3m7i n SER 443 N -1.41 -1.90 0.32 -1.12 3.41 -1.26 -4.52 113.62 107.14 3m7i n SER 443 Ca 0.10 -2.45 0.09 0.00 -0.26 0.00 0.00 58.87 56.35 3m7i n SER 443 Cb 0.30 3.21 0.46 0.00 -0.26 0.00 0.00 64.21 67.92 3m7i n SER 443 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3m7i h ILE 444 N 1.88 0.01 -0.02 -1.33 3.07 -1.83 -0.42 117.51 118.87 3m7i h ILE 444 Ca -0.29 0.00 0.01 0.00 1.55 0.00 0.00 64.86 66.13 3m7i h ILE 444 Cb 1.09 0.37 -0.00 0.00 -0.27 0.00 0.00 36.82 38.01 3m7i h ILE 444 CO 0.37 0.00 0.20 1.23 -1.05 0.00 0.00 178.15 178.89 3m7i h GLY 445 N 0.00 0.00 0.02 0.16 0.00 -1.94 -0.36 103.07 100.95 3m7i h GLY 445 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.51 3m7i h GLY 445 CO -0.00 0.00 0.34 -2.08 0.00 0.00 0.00 176.54 174.80 3m7i h VAL 446 N 0.00 0.59 0.00 4.60 2.07 -1.40 -3.43 116.25 118.68 3m7i h VAL 446 Ca 0.01 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3m7i h VAL 446 Cb 0.40 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3m7i h VAL 446 CO -0.00 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.28 3m7i n GLY 447 N -1.33 1.63 0.21 2.17 0.00 -0.15 -4.48 105.19 103.23 3m7i n GLY 447 Ca 0.17 -0.59 0.04 0.00 0.00 0.00 0.00 46.02 45.64 3m7i n GLY 447 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3m7i h GLU 448 N 0.00 0.00 0.00 1.61 3.07 -1.58 -1.84 114.58 115.84 3m7i h GLU 448 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3m7i h GLU 448 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3m7i h GLU 448 CO 0.00 0.25 -0.00 -0.44 -1.40 0.00 0.00 179.01 177.42 3m7i h ASP 449 N 0.00 0.00 -4.40 1.42 3.32 -1.87 -3.39 116.42 111.50 3m7i h ASP 449 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3m7i h ASP 449 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3m7i h ASP 449 CO 0.03 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 3m7i n GLY 450 N -1.11 -2.23 0.23 2.75 0.00 -0.70 -4.47 105.19 99.66 3m7i n GLY 450 Ca -0.03 -1.70 0.07 0.00 0.00 0.00 0.00 46.02 44.36 3m7i n GLY 450 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3m7i h PRO 451 N 0.00 0.00 0.00 1.61 0.13 -1.82 0.76 132.00 132.68 3m7i h PRO 451 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3m7i h PRO 451 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3m7i h PRO 451 CO 0.00 0.21 0.00 0.25 -0.23 0.00 0.00 178.00 178.23 3m7i n THR 452 N -4.04 0.77 -0.19 1.56 -2.24 -1.26 -2.53 114.28 106.34 3m7i n THR 452 Ca -0.02 0.11 0.06 0.00 -2.27 0.00 0.00 64.05 61.93 3m7i n THR 452 Cb 0.29 -1.03 0.17 0.00 -2.10 0.00 0.00 70.33 67.66 3m7i n THR 452 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3m7i n HIS 453 N -2.25 0.51 -3.97 4.78 8.25 0.23 -4.93 115.22 117.85 3m7i n HIS 453 Ca 0.03 -0.50 -0.34 0.00 -0.26 0.00 0.00 57.72 56.65 3m7i n HIS 453 Cb 0.28 -0.02 -0.14 0.00 1.12 0.00 0.00 29.99 31.22 3m7i n HIS 453 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3m7i s GLN 454 N -1.00 2.28 0.46 -0.41 -0.21 -1.04 -4.79 119.66 114.94 3m7i s GLN 454 Ca 0.25 -1.37 -0.24 0.00 0.02 0.00 0.00 55.36 54.03 3m7i s GLN 454 Cb 0.13 -3.10 -0.08 0.00 1.00 0.00 0.00 33.01 30.96 3m7i s GLN 454 CO 0.17 -0.65 1.28 -2.30 -2.12 0.00 0.00 175.29 171.68 3m7i n PRO 455 N 4.53 1.85 0.01 2.91 -0.02 -1.26 -4.77 135.00 138.26 3m7i n PRO 455 Ca -0.12 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3m7i n PRO 455 Cb 0.43 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3m7i n PRO 455 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3m7i n ILE 456 N -0.46 0.03 0.95 4.25 2.08 -1.26 -4.25 119.36 120.70 3m7i n ILE 456 Ca 0.08 0.01 0.10 0.00 0.56 0.00 0.00 62.75 63.49 3m7i n ILE 456 Cb 0.41 -0.78 -0.11 0.00 -0.75 0.00 0.00 39.64 38.42 3m7i n ILE 456 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 3m7i n GLU 457 N -2.71 0.43 -0.14 0.38 0.00 -1.26 -0.51 120.64 116.83 3m7i n GLU 457 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 57.16 57.08 3m7i n GLU 457 Cb 0.13 -1.45 0.24 0.00 0.00 0.00 0.00 31.44 30.36 3m7i n GLU 457 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 3m7i h GLN 458 N 0.18 0.83 -0.63 3.44 7.50 -1.92 -2.66 115.11 121.85 3m7i h GLN 458 Ca 0.00 -0.11 0.04 0.00 0.50 0.00 0.00 58.65 59.07 3m7i h GLN 458 Cb 0.49 -0.15 -0.04 0.00 0.05 0.00 0.00 27.48 27.83 3m7i h GLN 458 CO 0.00 0.66 0.38 -0.07 -1.50 0.00 0.00 178.83 178.29 3m7i h LEU 459 N 0.83 0.60 -0.59 1.46 3.38 -1.94 -1.71 115.31 117.34 3m7i h LEU 459 Ca 0.20 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.22 3m7i h LEU 459 Cb 0.12 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3m7i h LEU 459 CO -0.02 0.41 0.33 0.28 0.09 0.00 0.00 178.44 179.52 3m7i h SER 460 N 0.73 0.51 0.59 -0.43 0.02 -1.78 -0.42 113.55 112.76 3m7i h SER 460 Ca 0.26 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.20 3m7i h SER 460 Cb 0.07 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3m7i h SER 460 CO -0.13 0.34 -0.29 0.74 -1.14 0.00 0.00 176.83 176.36 3m7i h THR 461 N 0.64 0.41 -0.72 -2.27 2.02 -1.11 -0.55 112.91 111.33 3m7i h THR 461 Ca 0.25 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.38 3m7i h THR 461 Cb 0.11 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 3m7i h THR 461 CO -0.14 0.00 0.24 -0.26 0.37 0.00 0.00 175.52 175.73 3m7i h PHE 462 N -0.80 1.13 -0.59 3.16 -1.00 -1.25 -2.76 116.94 114.84 3m7i h PHE 462 Ca -0.08 -0.11 0.05 0.00 2.81 0.00 0.00 57.97 60.65 3m7i h PHE 462 Cb 0.62 -0.33 -0.05 0.00 3.61 0.00 0.00 35.95 39.79 3m7i h PHE 462 CO -0.04 0.89 0.31 0.00 -1.61 0.00 0.00 178.31 177.86 3m7i h ARG 463 N 1.05 0.56 -5.02 1.51 3.08 -1.07 -3.45 114.38 111.04 3m7i h ARG 463 Ca 0.23 -0.03 -0.43 0.00 0.07 0.00 0.00 59.98 59.82 3m7i h ARG 463 Cb 0.28 -0.13 0.02 0.00 0.08 0.00 0.00 29.97 30.23 3m7i h ARG 463 CO -0.01 0.37 1.36 0.00 -1.07 0.00 0.00 179.97 180.62 3m7i n ALA 464 N -2.35 1.91 -2.48 0.04 0.00 -0.22 -4.94 120.51 112.48 3m7i n ALA 464 Ca 0.06 -2.95 -0.24 0.00 0.00 0.00 0.00 53.44 50.32 3m7i n ALA 464 Cb 0.16 -3.55 -0.10 0.00 0.00 0.00 0.00 19.45 15.95 3m7i n ALA 464 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3m7i s PRO 466 N 6.38 1.68 -1.51 0.00 0.02 -1.26 -5.09 135.00 135.22 3m7i s PRO 466 Ca 0.67 -1.84 -0.13 0.00 0.02 0.00 0.00 61.00 59.72 3m7i s PRO 466 Cb 0.06 -1.50 0.07 0.00 0.02 0.00 0.00 34.50 33.16 3m7i s PRO 466 CO 0.17 0.14 1.02 0.09 -0.33 0.00 0.00 177.00 178.09 3m7i n ASN 467 N -0.67 -5.10 -3.48 2.53 3.02 -1.26 -4.77 115.26 105.52 3m7i n ASN 467 Ca -0.05 -0.74 -0.08 0.00 -0.03 0.00 0.00 54.58 53.68 3m7i n ASN 467 Cb 0.63 -4.07 -0.08 0.00 -0.61 0.00 0.00 39.78 35.65 3m7i n ASN 467 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3m7i s PHE 468 N -3.30 -0.89 0.04 3.10 5.36 -1.26 -4.08 117.98 116.95 3m7i s PHE 468 Ca 0.66 1.24 -0.23 0.00 -0.96 0.00 0.00 56.93 57.64 3m7i s PHE 468 Cb -0.32 0.21 -0.06 0.00 -0.34 0.00 0.00 43.02 42.51 3m7i s PHE 468 CO 0.81 -0.63 0.70 -0.51 -1.46 0.00 0.00 175.22 174.14 3m7i s LEU 469 N 2.61 4.46 -0.34 6.12 1.43 -0.72 -4.82 118.68 127.42 3m7i s LEU 469 Ca 0.07 1.37 0.04 0.00 -1.03 0.00 0.00 54.13 54.57 3m7i s LEU 469 Cb -0.14 -3.12 0.10 0.00 0.03 0.00 0.00 46.19 43.06 3m7i s LEU 469 CO -0.15 0.07 0.05 -0.89 0.23 0.00 0.00 176.35 175.66 3m7i s THR 470 N -0.24 2.32 -0.08 5.49 2.01 -1.26 -0.41 115.64 123.46 3m7i s THR 470 Ca 0.35 -2.29 -0.17 0.00 0.31 0.00 0.00 61.69 59.89 3m7i s THR 470 Cb -0.20 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 3m7i s THR 470 CO 0.21 -0.57 0.45 -0.36 -0.69 0.00 0.00 174.62 173.66 3m7i s PHE 471 N 0.92 3.57 -0.53 4.92 0.08 0.00 -4.29 117.98 122.66 3m7i s PHE 471 Ca 0.10 0.91 0.04 0.00 0.12 0.00 0.00 56.93 58.09 3m7i s PHE 471 Cb -0.19 -2.47 0.16 0.00 -0.57 0.00 0.00 43.02 39.95 3m7i s PHE 471 CO -0.08 0.31 0.37 0.50 -0.10 0.00 0.00 175.22 176.22 3m7i s ARG 472 N 0.13 1.57 0.31 0.44 3.52 0.83 -0.10 118.95 125.65 3m7i s ARG 472 Ca 0.25 -2.54 -0.29 0.00 -0.13 0.00 0.00 55.73 53.02 3m7i s ARG 472 Cb -0.16 -2.38 -0.10 0.00 -1.56 0.00 0.00 34.95 30.76 3m7i s ARG 472 CO 0.11 -1.29 1.18 -1.25 -0.81 0.00 0.00 175.30 173.24 3m7i s PRO 473 N -0.42 4.48 0.30 5.12 0.04 -1.26 -2.07 135.00 141.19 3m7i s PRO 473 Ca 0.26 1.96 0.17 0.00 0.04 0.00 0.00 61.00 63.43 3m7i s PRO 473 Cb -0.06 -3.10 0.11 0.00 0.04 0.00 0.00 34.50 31.49 3m7i s PRO 473 CO -0.14 0.02 1.42 0.00 0.04 0.00 0.00 177.00 178.34 3m7i h ALA 474 N 3.54 0.73 -3.00 8.56 0.00 -1.93 -3.39 119.26 123.78 3m7i h ALA 474 Ca -0.48 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 53.97 3m7i h ALA 474 Cb 1.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3m7i h ALA 474 CO 0.66 0.50 0.06 -0.40 0.00 0.00 0.00 179.25 180.06 3m7i n ASP 475 N -3.16 -1.20 -0.13 0.00 5.75 -1.26 -4.60 116.55 111.94 3m7i n ASP 475 Ca 0.02 -2.09 -0.03 0.00 -0.01 0.00 0.00 54.79 52.67 3m7i n ASP 475 Cb 0.69 2.08 0.19 0.00 -1.03 0.00 0.00 41.12 43.05 3m7i n ASP 475 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3m7i h GLY 476 N 1.25 0.89 0.89 6.12 0.00 -1.85 -1.80 103.07 108.57 3m7i h GLY 476 Ca -0.20 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.57 3m7i h GLY 476 CO 0.25 0.49 0.01 -2.08 0.00 0.00 0.00 176.54 175.21 3m7i h VAL 477 N 0.79 1.25 -0.84 4.60 2.07 -1.94 -0.86 116.25 121.33 3m7i h VAL 477 Ca 0.17 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 3m7i h VAL 477 Cb 0.31 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 3m7i h VAL 477 CO 0.00 0.30 0.51 -0.33 0.02 0.00 0.00 177.57 178.07 3m7i h GLU 478 N 0.33 1.13 -0.73 1.57 5.08 -1.91 -1.80 114.58 118.24 3m7i h GLU 478 Ca 0.09 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3m7i h GLU 478 Cb 0.43 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 3m7i h GLU 478 CO 0.01 0.78 0.47 -0.97 -1.00 0.00 0.00 179.01 178.31 3m7i h ASN 479 N 1.15 0.85 0.22 1.42 -0.73 -0.70 -0.82 115.58 116.97 3m7i h ASN 479 Ca 0.30 -0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.43 3m7i h ASN 479 Cb -0.06 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.32 3m7i h ASN 479 CO -0.06 0.63 -0.10 0.58 -0.37 0.00 0.00 177.43 178.11 3m7i h VAL 480 N 1.00 0.83 -0.28 2.57 2.07 -0.82 -1.91 116.25 119.71 3m7i h VAL 480 Ca 0.27 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 3m7i h VAL 480 Cb -0.09 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3m7i h VAL 480 CO -0.06 0.05 0.12 0.11 0.02 0.00 0.00 177.57 177.82 3m7i h LYS 481 N -0.40 0.38 -0.08 1.57 1.57 -1.16 -1.43 116.57 117.02 3m7i h LYS 481 Ca -0.03 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3m7i h LYS 481 Cb 0.30 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3m7i h LYS 481 CO 0.05 0.31 0.05 0.00 -0.57 0.00 0.00 179.45 179.29 3m7i h ALA 482 N 1.76 0.10 -0.85 3.86 0.00 -0.99 -1.33 119.26 121.81 3m7i h ALA 482 Ca 0.10 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3m7i h ALA 482 Cb 0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3m7i h ALA 482 CO -0.01 -0.39 0.54 -1.49 0.00 0.00 0.00 179.25 177.91 3m7i h TRP 483 N 0.08 1.02 -0.81 0.00 4.06 -0.58 -0.28 115.95 119.43 3m7i h TRP 483 Ca 0.03 0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.03 3m7i h TRP 483 Cb 0.02 -0.34 -0.05 0.00 -1.00 0.00 0.00 29.16 27.80 3m7i h TRP 483 CO -0.06 0.59 0.53 1.96 -3.56 0.00 0.00 178.44 177.89 3m7i h GLN 484 N 1.06 1.01 -0.17 0.49 4.20 -1.02 0.85 115.11 121.52 3m7i h GLN 484 Ca 0.34 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 3m7i h GLN 484 Cb 0.00 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 3m7i h GLN 484 CO -0.11 0.67 0.00 0.82 -0.67 0.00 0.00 178.83 179.54 3m7i h ILE 485 N 1.04 1.25 -0.44 2.54 2.04 -0.78 -2.97 117.51 120.19 3m7i h ILE 485 Ca 0.32 -0.84 0.04 0.00 1.00 0.00 0.00 64.86 65.38 3m7i h ILE 485 Cb -0.03 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3m7i h ILE 485 CO -0.10 0.25 0.22 0.00 0.00 0.00 0.00 178.15 178.52 3m7i h ALA 486 N 0.78 0.55 -0.02 1.87 0.00 -0.68 0.11 119.26 121.87 3m7i h ALA 486 Ca 0.05 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3m7i h ALA 486 Cb 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3m7i h ALA 486 CO 0.01 -0.14 -0.29 -0.07 0.00 0.00 0.00 179.25 178.76 3m7i h LEU 487 N 0.43 0.04 0.00 0.00 3.38 -0.84 -2.80 115.31 115.52 3m7i h LEU 487 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3m7i h LEU 487 Cb 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3m7i h LEU 487 CO -0.14 0.33 -0.42 0.59 0.09 0.00 0.00 178.44 178.89 3m7i n ASN 488 N -4.18 0.47 -4.83 -0.43 5.03 -0.60 -4.94 115.26 105.76 3m7i n ASN 488 Ca -0.02 0.01 -0.29 0.00 0.87 0.00 0.00 54.58 55.15 3m7i n ASN 488 Cb 0.34 0.05 0.11 0.00 -1.02 0.00 0.00 39.78 39.26 3m7i n ASN 488 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3m7i s ALA 489 N -3.04 2.20 -1.32 5.41 0.00 0.27 -4.98 121.76 120.30 3m7i s ALA 489 Ca 0.10 -0.50 0.19 0.00 0.00 0.00 0.00 51.96 51.75 3m7i s ALA 489 Cb 0.17 -3.02 0.65 0.00 0.00 0.00 0.00 23.12 20.91 3m7i s ALA 489 CO 0.67 -1.92 1.55 -0.40 0.00 0.00 0.00 175.76 175.66 3m7i n ASP 490 N -3.52 4.29 -4.00 0.00 5.75 -1.26 -4.98 116.55 112.83 3m7i n ASP 490 Ca 0.07 -2.29 -0.08 0.00 -0.01 0.00 0.00 54.79 52.48 3m7i n ASP 490 Cb 0.59 -0.51 -0.10 0.00 -1.03 0.00 0.00 41.12 40.07 3m7i n ASP 490 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3m7i s ILE 491 N -1.54 0.17 0.88 2.12 -4.36 -1.26 -4.63 121.20 112.58 3m7i s ILE 491 Ca 0.47 -1.41 -0.11 0.00 -0.26 0.00 0.00 60.65 59.35 3m7i s ILE 491 Cb 0.29 -1.14 0.12 0.00 1.25 0.00 0.00 42.46 42.98 3m7i s ILE 491 CO 0.26 -0.78 1.11 -2.16 0.24 0.00 0.00 174.94 173.61 3m7i s PRO 492 N -3.19 1.32 0.03 0.37 0.04 -1.07 -4.82 135.00 127.68 3m7i s PRO 492 Ca 0.00 1.27 0.01 0.00 0.04 0.00 0.00 61.00 62.32 3m7i s PRO 492 Cb 0.02 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 3m7i s PRO 492 CO -0.07 -2.33 -0.06 -1.12 0.04 0.00 0.00 177.00 173.46 3m7i s SER 493 N -3.00 0.58 0.15 6.66 0.01 -1.23 -1.75 113.70 115.11 3m7i s SER 493 Ca 0.65 -0.53 0.09 0.00 1.31 0.00 0.00 55.95 57.46 3m7i s SER 493 Cb -0.20 0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.05 3m7i s SER 493 CO 0.58 -0.25 -0.14 0.00 0.41 0.00 0.00 173.24 173.84 3m7i s ALA 494 N -1.42 2.82 -0.19 1.44 0.00 0.45 -1.39 121.76 123.47 3m7i s ALA 494 Ca -0.13 -1.40 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 3m7i s ALA 494 Cb -0.10 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.33 3m7i s ALA 494 CO -0.00 0.54 -0.15 -0.06 0.00 0.00 0.00 175.76 176.09 3m7i s PHE 495 N -1.42 2.83 -0.30 0.00 0.08 0.61 -0.82 117.98 118.97 3m7i s PHE 495 Ca 0.21 -1.34 -0.05 0.00 0.12 0.00 0.00 56.93 55.87 3m7i s PHE 495 Cb -0.10 -1.97 0.02 0.00 -0.57 0.00 0.00 43.02 40.41 3m7i s PHE 495 CO 0.13 -0.68 0.05 0.08 -0.10 0.00 0.00 175.22 174.69 3m7i s VAL 496 N 1.27 3.59 0.07 -0.44 1.01 0.86 -0.48 120.40 126.29 3m7i s VAL 496 Ca 0.04 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.14 3m7i s VAL 496 Cb -0.14 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 3m7i s VAL 496 CO -0.08 0.02 -0.18 -0.76 0.00 0.00 0.00 175.10 174.10 3m7i s LEU 497 N 1.41 2.25 0.30 3.92 1.43 0.57 -3.99 118.68 124.59 3m7i s LEU 497 Ca 0.00 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.36 3m7i s LEU 497 Cb -0.18 -0.77 -0.08 0.00 0.03 0.00 0.00 46.19 45.19 3m7i s LEU 497 CO 0.01 0.04 0.69 -0.94 0.23 0.00 0.00 176.35 176.38 3m7i s SER 498 N -1.62 6.73 0.07 2.29 1.04 -1.26 -1.09 113.70 119.86 3m7i s SER 498 Ca 0.04 1.19 -0.15 0.00 0.48 0.00 0.00 55.95 57.51 3m7i s SER 498 Cb -0.09 -2.34 -0.21 0.00 0.10 0.00 0.00 66.02 63.48 3m7i s SER 498 CO 0.03 -0.18 1.21 -0.09 0.98 0.00 0.00 173.24 175.19 3m7i h ARG 499 N 2.29 0.66 -6.59 4.02 2.43 -1.91 -2.77 114.38 112.51 3m7i h ARG 499 Ca -0.48 -0.63 -0.49 0.00 -0.81 0.00 0.00 59.98 57.57 3m7i h ARG 499 Cb 1.17 0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.90 3m7i h ARG 499 CO 0.66 1.24 -0.13 1.14 -1.51 0.00 0.00 179.97 181.37 3m7i s GLN 500 N -3.47 3.52 0.16 0.20 0.00 -1.26 -4.82 119.66 113.99 3m7i s GLN 500 Ca -0.11 -0.17 -0.31 0.00 -0.00 0.00 0.00 55.36 54.77 3m7i s GLN 500 Cb 0.07 -2.61 -0.09 0.00 0.00 0.00 0.00 33.01 30.38 3m7i s GLN 500 CO 0.89 0.09 1.44 0.21 0.00 0.00 0.00 175.29 177.92 3m7i s LYS 501 N -4.26 4.29 0.27 9.60 2.20 -1.26 -4.14 119.74 126.44 3m7i s LYS 501 Ca 0.42 2.19 0.08 0.00 -0.36 0.00 0.00 55.97 58.30 3m7i s LYS 501 Cb -0.10 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 3m7i s LYS 501 CO 0.37 -0.46 0.14 -0.51 -0.36 0.00 0.00 175.35 174.53 3m7i s LEU 502 N 0.69 3.58 -0.08 5.43 1.43 -0.24 -4.82 118.68 124.68 3m7i s LEU 502 Ca 0.64 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 53.19 3m7i s LEU 502 Cb -0.40 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 3m7i s LEU 502 CO 0.34 -0.06 0.34 -0.75 0.23 0.00 0.00 176.35 176.45 3m7i s LYS 503 N -3.80 3.99 0.42 1.70 2.20 -1.26 -1.77 119.74 121.22 3m7i s LYS 503 Ca 0.33 0.24 -0.26 0.00 -0.36 0.00 0.00 55.97 55.92 3m7i s LYS 503 Cb -0.07 -3.30 -0.09 0.00 -1.51 0.00 0.00 37.83 32.86 3m7i s LYS 503 CO 0.23 0.51 1.43 0.00 -0.36 0.00 0.00 175.35 177.17 3m7i s ALA 504 N -0.42 3.35 0.43 3.13 0.00 -1.26 -4.76 121.76 122.23 3m7i s ALA 504 Ca 0.20 1.48 -0.01 0.00 0.00 0.00 0.00 51.96 53.63 3m7i s ALA 504 Cb -0.15 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 3m7i s ALA 504 CO 0.09 -1.11 0.67 -0.51 0.00 0.00 0.00 175.76 174.89 3m7i s LEU 505 N -2.49 3.76 0.91 0.00 1.43 -1.26 -4.94 118.68 116.09 3m7i s LEU 505 Ca 0.58 0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 54.10 3m7i s LEU 505 Cb -0.44 -3.43 0.14 0.00 0.03 0.00 0.00 46.19 42.49 3m7i s LEU 505 CO 0.58 -0.53 1.13 0.54 0.23 0.00 0.00 176.35 178.30 3m7i s ASN 506 N -4.12 3.52 0.59 2.29 4.22 -1.26 -4.64 114.94 115.54 3m7i s ASN 506 Ca 0.45 0.99 -0.17 0.00 -2.14 0.00 0.00 52.86 51.99 3m7i s ASN 506 Cb -0.10 -1.58 -0.03 0.00 1.28 0.00 0.00 41.25 40.82 3m7i s ASN 506 CO 0.39 -2.55 1.12 -1.61 -2.04 0.00 0.00 177.10 172.42 3m7i s GLU 507 N -5.26 3.11 0.27 3.55 2.02 -1.26 -4.97 118.70 116.16 3m7i s GLU 507 Ca 0.64 1.52 -0.29 0.00 0.02 0.00 0.00 54.97 56.85 3m7i s GLU 507 Cb -0.15 -1.98 -0.14 0.00 0.10 0.00 0.00 34.13 31.96 3m7i s GLU 507 CO 0.53 -1.03 1.10 -2.30 0.02 0.00 0.00 175.26 173.59 3m7i n PRO 508 N -1.79 1.47 -0.01 0.39 -0.02 -1.26 -4.85 135.00 128.93 3m7i n PRO 508 Ca 0.11 0.52 -0.15 0.00 -2.02 0.00 0.00 63.50 61.96 3m7i n PRO 508 Cb 0.51 -1.96 -0.14 0.00 -0.02 0.00 0.00 33.50 31.90 3m7i n PRO 508 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3m7i n VAL 509 N 0.60 1.69 -3.68 -1.45 0.31 0.11 -4.95 118.33 110.96 3m7i n VAL 509 Ca 0.10 -0.73 -0.10 0.00 -0.01 0.00 0.00 64.34 63.61 3m7i n VAL 509 Cb 0.31 -1.37 -0.10 0.00 -0.91 0.00 0.00 33.84 31.77 3m7i n VAL 509 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3m7i s PHE 510 N -2.58 -0.74 0.00 3.52 5.36 -1.19 -5.02 117.98 117.34 3m7i s PHE 510 Ca -0.14 1.55 0.00 0.00 -0.96 0.00 0.00 56.93 57.38 3m7i s PHE 510 Cb 0.07 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.12 3m7i s PHE 510 CO 0.80 -0.39 0.00 0.41 -1.46 0.00 0.00 175.22 174.57 3m7i n GLY 511 N 4.14 -1.24 0.00 13.12 0.00 -1.26 -1.26 105.19 118.69 3m7i n GLY 511 Ca -0.21 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3m7i n GLY 511 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3m7i n ASP 512 N -1.32 0.00 -0.14 1.61 -0.08 -1.26 -4.75 116.55 110.60 3m7i n ASP 512 Ca 0.00 -0.89 0.01 0.00 -1.51 0.00 0.00 54.79 52.39 3m7i n ASP 512 Cb 0.00 0.00 0.28 0.00 2.34 0.00 0.00 41.12 43.74 3m7i n ASP 512 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3m7i h VAL 513 N 0.89 1.18 0.00 5.18 2.07 -1.92 -0.30 116.25 123.34 3m7i h VAL 513 Ca 0.00 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3m7i h VAL 513 Cb 0.00 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3m7i h VAL 513 CO 0.00 0.20 0.00 0.07 0.02 0.00 0.00 177.57 177.86 3m7i h LYS 514 N 0.85 0.00 -0.04 1.57 2.10 -1.94 0.23 116.57 119.34 3m7i h LYS 514 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 3m7i h LYS 514 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3m7i h LYS 514 CO -0.04 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.50 3m7i n ASN 515 N -2.85 1.22 0.00 7.07 4.13 -0.12 -4.95 115.26 119.75 3m7i n ASN 515 Ca -0.02 -1.45 0.00 0.00 1.68 0.00 0.00 54.58 54.79 3m7i n ASN 515 Cb 0.08 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 3m7i n ASN 515 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3m7i n GLY 516 N 1.12 1.70 3.24 7.41 0.00 0.81 -3.54 105.19 115.93 3m7i n GLY 516 Ca 0.19 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 3m7i n GLY 516 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m7i s ALA 517 N -0.02 1.49 0.14 4.61 0.00 -1.26 -1.75 121.76 124.97 3m7i s ALA 517 Ca 0.00 -1.24 -0.17 0.00 0.00 0.00 0.00 51.96 50.55 3m7i s ALA 517 Cb 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.06 3m7i s ALA 517 CO 0.00 0.14 0.44 1.52 0.00 0.00 0.00 175.76 177.86 3m7i s TYR 518 N -1.89 -0.21 -0.05 0.00 -0.85 -0.04 -4.58 117.35 109.73 3m7i s TYR 518 Ca 0.07 -0.10 -0.27 0.00 -0.52 0.00 0.00 57.07 56.25 3m7i s TYR 518 Cb -0.06 0.31 -0.03 0.00 0.38 0.00 0.00 41.96 42.56 3m7i s TYR 518 CO 0.03 -0.76 0.87 -0.51 -1.52 0.00 0.00 175.55 173.67 3m7i s LEU 519 N -2.81 4.32 -0.11 -3.49 1.43 -0.39 -1.13 118.68 116.49 3m7i s LEU 519 Ca 0.04 1.44 0.13 0.00 -1.03 0.00 0.00 54.13 54.71 3m7i s LEU 519 Cb 0.01 -3.37 -0.24 0.00 0.03 0.00 0.00 46.19 42.63 3m7i s LEU 519 CO -0.10 -0.24 0.42 0.18 0.23 0.00 0.00 176.35 176.83 3m7i n LEU 520 N 4.10 0.72 -3.85 1.79 4.77 0.36 -0.71 117.00 124.18 3m7i n LEU 520 Ca 0.04 0.25 -0.16 0.00 -0.03 0.00 0.00 56.01 56.10 3m7i n LEU 520 Cb 0.51 0.19 -0.15 0.00 -2.33 0.00 0.00 43.42 41.63 3m7i n LEU 520 CO 0.50 0.47 -0.38 -0.75 -1.33 0.00 0.00 177.39 175.90 3m7i s LYS 521 N -2.56 0.27 -0.05 3.23 2.20 -1.06 -4.55 119.74 117.22 3m7i s LYS 521 Ca -0.08 0.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.56 3m7i s LYS 521 Cb 0.07 -0.38 0.02 0.00 -1.51 0.00 0.00 37.83 36.03 3m7i s LYS 521 CO 0.82 -0.06 -0.08 -2.00 -0.36 0.00 0.00 175.35 173.66 3m7i s GLU 522 N 0.62 1.19 -0.04 4.03 2.12 -1.26 -1.38 118.70 123.97 3m7i s GLU 522 Ca -0.06 -0.26 0.05 0.00 0.36 0.00 0.00 54.97 55.06 3m7i s GLU 522 Cb -0.09 -1.07 -0.01 0.00 0.26 0.00 0.00 34.13 33.23 3m7i s GLU 522 CO -0.01 -0.01 -0.19 -1.12 -0.54 0.00 0.00 175.26 173.39 3m7i s SER 523 N 0.69 2.37 0.51 -1.70 0.01 -1.24 -4.99 113.70 109.35 3m7i s SER 523 Ca -0.12 -0.39 -0.23 0.00 1.31 0.00 0.00 55.95 56.53 3m7i s SER 523 Cb -0.14 -0.62 -0.06 0.00 0.21 0.00 0.00 66.02 65.41 3m7i s SER 523 CO 0.02 0.18 1.35 -1.59 0.41 0.00 0.00 173.24 173.61 3m7i s LYS 524 N -0.05 3.34 -1.29 12.44 0.00 -1.26 -2.79 119.74 130.13 3m7i s LYS 524 Ca -0.03 2.22 -0.21 0.00 0.00 0.00 0.00 55.97 57.96 3m7i s LYS 524 Cb -0.12 -2.37 0.02 0.00 0.00 0.00 0.00 37.83 35.36 3m7i s LYS 524 CO 0.02 -1.03 0.53 0.39 0.00 0.00 0.00 175.35 175.27 3m7i n GLU 525 N -0.77 -0.96 -2.16 1.78 -0.58 -1.26 -4.88 120.64 111.81 3m7i n GLU 525 Ca 0.09 0.19 -0.41 0.00 -0.42 0.00 0.00 57.16 56.61 3m7i n GLU 525 Cb 0.45 -3.30 -0.03 0.00 -0.57 0.00 0.00 31.44 27.98 3m7i n GLU 525 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3m7i s ALA 526 N -3.75 3.55 0.00 0.62 0.00 -1.12 -4.69 121.76 116.38 3m7i s ALA 526 Ca 0.33 1.17 0.10 0.00 0.00 0.00 0.00 51.96 53.56 3m7i s ALA 526 Cb -0.16 -3.50 -0.23 0.00 0.00 0.00 0.00 23.12 19.23 3m7i s ALA 526 CO 0.95 -0.59 0.83 0.87 0.00 0.00 0.00 175.76 177.82 3m7i h LYS 527 N 5.19 0.01 -5.01 0.00 1.79 -1.18 -3.32 116.57 114.06 3m7i h LYS 527 Ca -0.45 -0.02 -0.34 0.00 -2.18 0.00 0.00 60.65 57.66 3m7i h LYS 527 Cb 1.22 0.01 -0.19 0.00 -1.58 0.00 0.00 32.23 31.69 3m7i h LYS 527 CO 0.77 0.66 -0.74 -0.06 -1.08 0.00 0.00 179.45 178.99 3m7i s PHE 528 N -2.63 1.07 -0.07 -1.35 0.08 -1.11 -1.65 117.98 112.31 3m7i s PHE 528 Ca -0.04 -0.60 0.01 0.00 0.12 0.00 0.00 56.93 56.43 3m7i s PHE 528 Cb 0.08 -0.59 0.02 0.00 -0.57 0.00 0.00 43.02 41.96 3m7i s PHE 528 CO 0.82 0.01 -0.09 0.99 -0.10 0.00 0.00 175.22 176.86 3m7i s THR 529 N -2.11 0.92 -0.26 0.64 2.01 -0.50 -1.01 115.64 115.34 3m7i s THR 529 Ca 0.03 -0.32 -0.10 0.00 0.31 0.00 0.00 61.69 61.61 3m7i s THR 529 Cb -0.05 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 3m7i s THR 529 CO 0.01 0.32 0.15 -0.76 -0.69 0.00 0.00 174.62 173.65 3m7i s LEU 530 N 1.00 3.92 -0.14 4.42 1.02 -0.51 -0.51 118.68 127.89 3m7i s LEU 530 Ca -0.09 -0.01 0.02 0.00 0.02 0.00 0.00 54.13 54.07 3m7i s LEU 530 Cb -0.15 -2.07 0.00 0.00 0.02 0.00 0.00 46.19 44.00 3m7i s LEU 530 CO -0.00 -0.00 -0.19 -0.22 0.02 0.00 0.00 176.35 175.96 3m7i s LEU 531 N 1.47 2.31 0.21 1.79 0.20 0.40 -0.64 118.68 124.41 3m7i s LEU 531 Ca 0.07 -0.52 -0.07 0.00 0.69 0.00 0.00 54.13 54.30 3m7i s LEU 531 Cb -0.15 -1.50 -0.02 0.00 -0.43 0.00 0.00 46.19 44.09 3m7i s LEU 531 CO 0.07 0.10 0.28 0.00 -0.29 0.00 0.00 176.35 176.51 3m7i s ALA 532 N 0.71 0.43 0.18 5.97 0.00 -0.49 -0.79 121.76 127.79 3m7i s ALA 532 Ca -0.08 -1.24 0.05 0.00 0.00 0.00 0.00 51.96 50.69 3m7i s ALA 532 Cb -0.16 1.15 -0.05 0.00 0.00 0.00 0.00 23.12 24.06 3m7i s ALA 532 CO 0.01 -0.69 -0.10 -1.54 0.00 0.00 0.00 175.76 173.45 3m7i s SER 533 N -3.07 2.09 1.02 0.00 1.04 -1.25 -4.30 113.70 109.22 3m7i s SER 533 Ca 0.28 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.65 3m7i s SER 533 Cb 0.04 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.10 3m7i s SER 533 CO 0.08 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.60 3m7i n GLY 534 N -0.31 3.05 0.09 7.32 0.00 -0.88 -1.77 105.19 112.70 3m7i n GLY 534 Ca -0.08 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 45.95 3m7i n GLY 534 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m7i n SER 535 N 2.87 0.34 0.01 1.61 3.41 -1.26 -2.19 113.62 118.41 3m7i n SER 535 Ca 0.00 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 3m7i n SER 535 Cb 0.00 -0.68 0.19 0.00 -0.26 0.00 0.00 64.21 63.46 3m7i n SER 535 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3m7i n GLU 536 N -1.93 0.04 -0.23 4.33 4.71 -0.73 -4.25 120.64 122.59 3m7i n GLU 536 Ca 0.00 0.01 -0.06 0.00 -0.01 0.00 0.00 57.16 57.10 3m7i n GLU 536 Cb 0.08 -1.52 0.04 0.00 -1.01 0.00 0.00 31.44 29.03 3m7i n GLU 536 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3m7i h VAL 537 N 0.00 1.18 -0.19 2.62 2.07 -1.52 -2.15 116.25 118.25 3m7i h VAL 537 Ca 0.00 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 3m7i h VAL 537 Cb 0.53 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3m7i h VAL 537 CO 0.00 0.18 -0.22 -0.50 0.02 0.00 0.00 177.57 177.06 3m7i h TRP 538 N 0.86 0.37 -0.91 1.57 4.06 -1.81 -0.38 115.95 119.71 3m7i h TRP 538 Ca 0.23 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 61.11 3m7i h TRP 538 Cb -0.04 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 27.98 3m7i h TRP 538 CO -0.02 0.54 0.54 1.25 -3.56 0.00 0.00 178.44 177.19 3m7i h LEU 539 N 0.31 1.10 -0.31 -4.49 5.85 -1.71 -0.75 115.31 115.31 3m7i h LEU 539 Ca 0.05 -0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 3m7i h LEU 539 Cb 0.56 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 3m7i h LEU 539 CO 0.04 0.85 -0.39 0.00 -0.34 0.00 0.00 178.44 178.60 3m7i h LEU 541 N 0.58 0.17 -1.02 0.00 3.38 -0.62 0.13 115.31 117.93 3m7i h LEU 541 Ca 0.04 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3m7i h LEU 541 Cb 0.98 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 3m7i h LEU 541 CO 0.09 0.12 0.66 -0.33 0.09 0.00 0.00 178.44 179.07 3m7i h GLU 542 N 0.21 1.28 -0.23 1.13 4.39 -1.11 -1.82 114.58 118.44 3m7i h GLU 542 Ca 0.06 -0.08 -0.18 0.00 0.34 0.00 0.00 59.36 59.50 3m7i h GLU 542 Cb -0.02 -0.29 -0.00 0.00 -0.10 0.00 0.00 28.75 28.34 3m7i h GLU 542 CO -0.02 0.85 -0.58 0.77 -1.16 0.00 0.00 179.01 178.86 3m7i h SER 543 N 1.32 0.83 -0.35 1.42 0.02 -0.76 -1.51 113.55 114.52 3m7i h SER 543 Ca 0.37 -0.46 -0.05 0.00 -0.84 0.00 0.00 61.79 60.82 3m7i h SER 543 Cb -0.11 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.17 3m7i h SER 543 CO -0.09 1.23 0.07 0.00 -1.14 0.00 0.00 176.83 176.89 3m7i h ALA 544 N 0.78 1.31 -0.27 3.77 0.00 -0.49 0.11 119.26 124.48 3m7i h ALA 544 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3m7i h ALA 544 Cb 1.17 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3m7i h ALA 544 CO 0.12 0.48 0.08 -0.91 0.00 0.00 0.00 179.25 179.02 3m7i h ASN 545 N 0.64 0.40 -0.25 0.00 2.35 -0.87 0.24 115.58 118.09 3m7i h ASN 545 Ca 0.14 -0.21 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3m7i h ASN 545 Cb 0.30 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 3m7i h ASN 545 CO 0.00 0.51 0.14 -0.08 -1.65 0.00 0.00 177.43 176.35 3m7i h GLU 546 N 0.28 0.28 -0.62 0.81 4.57 -0.99 0.32 114.58 119.23 3m7i h GLU 546 Ca 0.09 -0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.36 3m7i h GLU 546 Cb 0.25 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.70 3m7i h GLU 546 CO -0.00 0.19 0.20 -0.07 -1.18 0.00 0.00 179.01 178.15 3m7i h LEU 547 N 0.29 0.15 -0.46 1.64 3.38 -0.63 -0.62 115.31 119.06 3m7i h LEU 547 Ca 0.10 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3m7i h LEU 547 Cb 0.01 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3m7i h LEU 547 CO -0.05 0.09 0.26 -0.33 0.09 0.00 0.00 178.44 178.50 3m7i h GLU 548 N 0.36 0.64 -0.64 1.13 4.39 -0.44 0.14 114.58 120.16 3m7i h GLU 548 Ca 0.32 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 60.00 3m7i h GLU 548 Cb 0.44 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 3m7i h GLU 548 CO -0.35 0.49 0.42 0.87 -1.16 0.00 0.00 179.01 179.29 3m7i h LYS 549 N 0.61 0.70 0.00 2.33 1.57 -0.56 -0.12 116.57 121.10 3m7i h LYS 549 Ca 0.16 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3m7i h LYS 549 Cb 0.03 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3m7i h LYS 549 CO -0.03 0.46 0.00 1.04 -0.57 0.00 0.00 179.45 180.35 3m7i n GLN 550 N -4.47 0.56 0.00 3.15 6.02 -0.28 -4.91 117.38 117.46 3m7i n GLN 550 Ca 0.08 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 3m7i n GLN 550 Cb 0.17 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.93 3m7i n GLN 550 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m7i n GLY 551 N 1.06 1.13 3.18 1.08 0.00 -0.06 -5.06 105.19 106.51 3m7i n GLY 551 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3m7i n GLY 551 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m7i s PHE 552 N -2.00 3.06 0.23 1.61 0.08 -0.07 -4.98 117.98 115.91 3m7i s PHE 552 Ca 0.00 -1.66 -0.30 0.00 0.12 0.00 0.00 56.93 55.09 3m7i s PHE 552 Cb 0.00 -2.03 -0.10 0.00 -0.57 0.00 0.00 43.02 40.32 3m7i s PHE 552 CO 0.00 -0.76 1.45 0.00 -0.10 0.00 0.00 175.22 175.81 3m7i s ALA 553 N 1.29 3.64 0.02 5.36 0.00 -1.26 -3.07 121.76 127.74 3m7i s ALA 553 Ca -0.00 1.32 0.03 0.00 0.00 0.00 0.00 51.96 53.30 3m7i s ALA 553 Cb -0.17 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 3m7i s ALA 553 CO -0.05 -0.74 -0.09 0.00 0.00 0.00 0.00 175.76 174.88 3m7i s ASN 555 N -0.79 5.73 -0.09 0.00 0.01 -0.18 -3.71 114.94 115.91 3m7i s ASN 555 Ca -0.01 0.13 0.04 0.00 -0.71 0.00 0.00 52.86 52.31 3m7i s ASN 555 Cb -0.06 -1.64 0.00 0.00 0.41 0.00 0.00 41.25 39.96 3m7i s ASN 555 CO 0.00 0.24 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.93 3m7i s VAL 556 N -1.27 1.88 -0.16 1.60 1.01 -0.48 -1.42 120.40 121.56 3m7i s VAL 556 Ca 0.26 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.32 3m7i s VAL 556 Cb -0.12 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3m7i s VAL 556 CO 0.17 0.52 -0.16 -0.69 0.00 0.00 0.00 175.10 174.94 3m7i s VAL 557 N 0.36 2.51 0.05 2.92 1.01 0.19 -0.49 120.40 126.95 3m7i s VAL 557 Ca -0.17 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 3m7i s VAL 557 Cb -0.17 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.16 3m7i s VAL 557 CO 0.08 0.52 0.07 -0.24 0.00 0.00 0.00 175.10 175.53 3m7i n SER 558 N 4.24 0.09 0.00 3.32 2.88 -0.29 -1.39 113.62 122.48 3m7i n SER 558 Ca -0.20 -1.08 0.00 0.00 -1.33 0.00 0.00 58.87 56.27 3m7i n SER 558 Cb 0.51 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 3m7i n SER 558 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3m7i n PRO 560 N -1.14 0.00 -3.35 -1.46 -0.04 -0.72 -0.86 135.00 127.44 3m7i n PRO 560 Ca 0.01 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.36 3m7i n PRO 560 Cb 0.04 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.42 3m7i n PRO 560 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3m7i h PHE 562 N 8.20 0.35 -0.90 0.00 3.57 -1.81 -2.50 116.94 123.85 3m7i h PHE 562 Ca -0.13 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.43 3m7i h PHE 562 Cb 1.12 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.70 3m7i h PHE 562 CO 0.22 0.18 0.59 0.93 -2.23 0.00 0.00 178.31 178.01 3m7i h GLU 563 N 0.39 1.06 -0.21 1.11 3.07 -1.92 -1.31 114.58 116.77 3m7i h GLU 563 Ca 0.16 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.82 3m7i h GLU 563 Cb 0.07 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 3m7i h GLU 563 CO -0.12 0.70 -0.46 -0.07 -1.40 0.00 0.00 179.01 177.66 3m7i h LEU 564 N 1.09 0.58 -0.84 1.33 3.38 -1.84 -3.13 115.31 115.88 3m7i h LEU 564 Ca 0.37 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3m7i h LEU 564 Cb 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3m7i h LEU 564 CO -0.12 0.95 -0.27 0.15 0.09 0.00 0.00 178.44 179.24 3m7i h PHE 565 N 0.43 0.64 -0.22 1.13 3.57 -0.92 -1.54 116.94 120.03 3m7i h PHE 565 Ca 0.03 -0.14 0.06 0.00 3.53 0.00 0.00 57.97 61.45 3m7i h PHE 565 Cb 0.97 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 3m7i h PHE 565 CO 0.04 0.78 0.22 0.93 -2.23 0.00 0.00 178.31 178.04 3m7i h GLU 566 N 0.49 0.00 -0.01 1.11 5.08 -1.21 -2.33 114.58 117.71 3m7i h GLU 566 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3m7i h GLU 566 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3m7i h GLU 566 CO 0.06 0.00 -0.12 1.63 -1.00 0.00 0.00 179.01 179.58 3m7i n LYS 567 N -3.94 1.33 -2.41 2.33 5.02 -0.58 -4.93 118.16 114.98 3m7i n LYS 567 Ca 0.03 -0.80 -0.33 0.00 -2.02 0.00 0.00 58.31 55.19 3m7i n LYS 567 Cb 0.35 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 3m7i n LYS 567 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3m7i s GLN 568 N -2.22 3.84 0.73 1.97 -1.52 -0.88 -5.03 119.66 116.55 3m7i s GLN 568 Ca 0.32 1.09 -0.11 0.00 -1.95 0.00 0.00 55.36 54.70 3m7i s GLN 568 Cb 0.20 -2.12 0.03 0.00 -0.22 0.00 0.00 33.01 30.90 3m7i s GLN 568 CO 0.42 -0.37 1.08 0.16 -0.25 0.00 0.00 175.29 176.32 3m7i s ASP 569 N -2.73 5.16 0.24 5.90 1.47 -1.26 -4.85 116.67 120.61 3m7i s ASP 569 Ca 0.61 1.41 -0.09 0.00 1.18 0.00 0.00 52.55 55.66 3m7i s ASP 569 Cb -0.12 -2.24 0.39 0.00 -0.34 0.00 0.00 42.92 40.61 3m7i s ASP 569 CO 0.28 -1.55 1.62 0.07 0.68 0.00 0.00 175.17 176.26 3m7i h LYS 570 N -0.80 0.05 -0.63 2.11 5.09 -1.99 -1.83 116.57 118.56 3m7i h LYS 570 Ca -0.45 -0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.26 3m7i h LYS 570 Cb 1.24 -0.01 -0.03 0.00 0.10 0.00 0.00 32.23 33.53 3m7i h LYS 570 CO 0.59 0.03 0.27 0.00 -2.09 0.00 0.00 179.45 178.25 3m7i h ALA 571 N 1.74 1.28 -0.06 0.07 0.00 -1.99 0.58 119.26 120.88 3m7i h ALA 571 Ca 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3m7i h ALA 571 Cb 0.67 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3m7i h ALA 571 CO -0.73 0.54 -0.02 -0.92 0.00 0.00 0.00 179.25 178.12 3m7i h TYR 572 N 0.91 0.13 -0.75 0.00 3.20 -1.73 -2.67 116.97 116.06 3m7i h TYR 572 Ca 0.22 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3m7i h TYR 572 Cb 0.15 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 3m7i h TYR 572 CO 0.01 0.46 0.34 1.96 -1.64 0.00 0.00 178.16 179.29 3m7i h GLN 573 N -0.23 1.10 -0.27 1.82 4.20 -0.93 -2.65 115.11 118.14 3m7i h GLN 573 Ca 0.02 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 3m7i h GLN 573 Cb 0.42 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3m7i h GLN 573 CO 0.01 0.87 -0.01 0.93 -0.67 0.00 0.00 178.83 179.96 3m7i h GLU 574 N 1.07 0.41 -0.38 1.46 5.08 -0.89 -0.92 114.58 120.42 3m7i h GLU 574 Ca 0.25 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.40 3m7i h GLU 574 Cb 0.16 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3m7i h GLU 574 CO -0.03 0.45 -0.31 -0.09 -1.00 0.00 0.00 179.01 178.03 3m7i h ARG 575 N 0.40 0.87 -0.28 2.33 2.43 -1.14 -3.27 114.38 115.73 3m7i h ARG 575 Ca 0.09 -0.44 -0.10 0.00 -0.81 0.00 0.00 59.98 58.72 3m7i h ARG 575 Cb 0.28 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3m7i h ARG 575 CO 0.01 1.08 -0.23 -0.07 -1.51 0.00 0.00 179.97 179.25 3m7i h LEU 576 N 0.68 0.69 -7.52 3.80 4.07 -1.19 -3.41 115.31 112.42 3m7i h LEU 576 Ca 0.07 -0.45 -0.79 0.00 0.08 0.00 0.00 57.88 56.79 3m7i h LEU 576 Cb 0.89 -0.19 -0.29 0.00 1.08 0.00 0.00 40.66 42.15 3m7i h LEU 576 CO 0.08 0.99 0.38 -0.76 -1.08 0.00 0.00 178.44 178.05 3m7i s LEU 577 N -9.05 6.22 0.04 1.67 1.43 -0.38 -4.94 118.68 113.68 3m7i s LEU 577 Ca -0.13 -3.64 0.01 0.00 -1.03 0.00 0.00 54.13 49.35 3m7i s LEU 577 Cb 0.08 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3m7i s LEU 577 CO 0.81 -0.27 0.09 -0.54 0.23 0.00 0.00 176.35 176.68 3m7i s LYS 578 N -1.31 3.02 5.01 1.70 -0.14 -1.26 -4.85 119.74 121.90 3m7i s LYS 578 Ca 0.30 -0.58 0.00 0.00 -1.36 0.00 0.00 55.97 54.33 3m7i s LYS 578 Cb -0.10 -2.81 0.00 0.00 -1.68 0.00 0.00 37.83 33.24 3m7i s LYS 578 CO -0.09 0.60 0.00 0.41 -0.76 0.00 0.00 175.35 175.52 3m7i n GLY 579 N 0.73 1.91 3.69 -3.33 0.00 -1.25 -3.08 105.19 103.86 3m7i n GLY 579 Ca -0.10 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 3m7i n GLY 579 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m7i s GLU 580 N 0.00 4.27 -0.20 1.61 2.12 -0.66 -4.87 118.70 120.98 3m7i s GLU 580 Ca 0.00 0.46 -0.06 0.00 0.36 0.00 0.00 54.97 55.73 3m7i s GLU 580 Cb 0.00 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 3m7i s GLU 580 CO 0.00 -0.00 0.04 0.08 -0.54 0.00 0.00 175.26 174.83 3m7i s VAL 581 N 1.15 4.39 -0.17 3.70 1.01 -1.26 -1.41 120.40 127.81 3m7i s VAL 581 Ca 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 3m7i s VAL 581 Cb -0.15 -2.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 3m7i s VAL 581 CO 0.10 0.43 -0.14 -0.63 0.00 0.00 0.00 175.10 174.87 3m7i s ILE 582 N 0.75 2.73 -0.03 2.22 1.09 0.33 -0.54 121.20 127.74 3m7i s ILE 582 Ca 0.02 -0.74 -0.09 0.00 -1.10 0.00 0.00 60.65 58.74 3m7i s ILE 582 Cb -0.14 -2.17 -0.05 0.00 -1.06 0.00 0.00 42.46 39.05 3m7i s ILE 582 CO 0.02 0.50 0.28 -0.83 -0.10 0.00 0.00 174.94 174.81 3m7i s GLY 583 N 0.97 2.30 -0.07 6.18 0.00 -0.17 -0.45 107.32 116.07 3m7i s GLY 583 Ca -0.02 -0.48 -0.02 0.00 0.00 0.00 0.00 44.72 44.20 3m7i s GLY 583 CO -0.02 -0.21 0.03 0.14 0.00 0.00 0.00 173.10 173.04 3m7i s VAL 584 N -1.15 0.18 -0.20 1.40 1.01 0.03 0.34 120.40 122.01 3m7i s VAL 584 Ca 0.22 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 3m7i s VAL 584 Cb -0.14 -0.42 0.05 0.00 0.00 0.00 0.00 36.38 35.87 3m7i s VAL 584 CO 0.11 0.17 0.53 -1.61 0.00 0.00 0.00 175.10 174.30 3m7i s GLU 585 N 2.05 0.60 -1.41 2.72 2.02 -1.01 -3.90 118.70 119.76 3m7i s GLU 585 Ca 0.04 0.78 -0.13 0.00 0.02 0.00 0.00 54.97 55.68 3m7i s GLU 585 Cb -0.13 0.25 -0.02 0.00 0.10 0.00 0.00 34.13 34.34 3m7i s GLU 585 CO -0.05 -0.09 2.39 0.00 0.02 0.00 0.00 175.26 177.53 3m7i n ALA 586 N 3.08 5.84 -3.69 5.21 0.00 -1.26 -4.07 120.51 125.62 3m7i n ALA 586 Ca -0.15 -3.65 -0.08 0.00 0.00 0.00 0.00 53.44 49.56 3m7i n ALA 586 Cb 0.56 -3.48 -0.02 0.00 0.00 0.00 0.00 19.45 16.51 3m7i n ALA 586 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m7i s ALA 587 N 3.11 -1.46 -0.72 0.00 0.00 -1.26 -4.66 121.76 116.77 3m7i s ALA 587 Ca 0.54 0.10 -0.17 0.00 0.00 0.00 0.00 51.96 52.43 3m7i s ALA 587 Cb 0.15 0.78 0.15 0.00 0.00 0.00 0.00 23.12 24.20 3m7i s ALA 587 CO -0.06 -0.94 0.76 -1.58 0.00 0.00 0.00 175.76 173.94 3m7i s HIS 588 N -3.68 3.31 -0.52 0.00 5.65 0.33 -1.61 115.29 118.77 3m7i s HIS 588 Ca 0.08 -1.43 0.07 0.00 0.25 0.00 0.00 55.06 54.03 3m7i s HIS 588 Cb -0.03 -3.96 0.24 0.00 -1.18 0.00 0.00 32.58 27.65 3m7i s HIS 588 CO -0.01 -1.18 0.60 -1.13 -0.65 0.00 0.00 174.74 172.38 3m7i n SER 589 N 5.40 1.85 0.30 9.88 3.41 -1.26 -4.69 113.62 128.51 3m7i n SER 589 Ca 0.03 -3.03 0.18 0.00 -0.26 0.00 0.00 58.87 55.79 3m7i n SER 589 Cb 0.45 -0.65 0.97 0.00 -0.26 0.00 0.00 64.21 64.71 3m7i n SER 589 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3m7i h ASN 590 N 4.27 0.00 -0.04 4.04 -0.26 -1.99 -1.80 115.58 119.81 3m7i h ASN 590 Ca 0.14 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.90 3m7i h ASN 590 Cb 0.78 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.04 3m7i h ASN 590 CO 0.63 0.03 0.17 1.05 -1.06 0.00 0.00 177.43 178.25 3m7i h GLU 591 N 0.00 0.00 0.00 0.81 9.09 -1.99 -2.33 114.58 120.16 3m7i h GLU 591 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 3m7i h GLU 591 Cb 0.13 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.23 3m7i h GLU 591 CO 0.00 0.00 -0.06 -0.07 0.05 0.00 0.00 179.01 178.94 3m7i h LEU 592 N 0.00 0.00 -2.15 3.06 3.38 -1.73 -2.00 115.31 115.87 3m7i h LEU 592 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3m7i h LEU 592 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3m7i h LEU 592 CO -0.00 0.06 0.12 1.88 0.09 0.00 0.00 178.44 180.59 3m7i h TYR 593 N 0.00 0.00 -0.11 1.13 0.05 -1.62 0.52 116.97 116.93 3m7i h TYR 593 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3m7i h TYR 593 Cb 0.29 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 3m7i h TYR 593 CO 0.00 0.00 0.05 -0.22 -1.05 0.00 0.00 178.16 176.94 3m7i h LYS 594 N 0.00 0.15 -0.00 4.88 3.64 -1.59 -3.30 116.57 120.35 3m7i h LYS 594 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3m7i h LYS 594 Cb 0.24 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3m7i h LYS 594 CO 0.00 0.12 -0.05 1.19 -2.27 0.00 0.00 179.45 178.44 3m7i n PHE 595 N -4.50 0.00 -4.75 1.91 3.72 -0.02 -5.06 117.46 108.77 3m7i n PHE 595 Ca -0.01 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.15 3m7i n PHE 595 Cb 0.10 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.49 3m7i n PHE 595 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3m7i h HIS 597 N 5.75 0.17 -3.79 0.00 3.86 -1.13 -3.39 115.15 116.61 3m7i h HIS 597 Ca -0.36 -0.09 -0.40 0.00 -1.16 0.00 0.00 60.37 58.36 3m7i h HIS 597 Cb 1.16 -0.02 -0.20 0.00 1.06 0.00 0.00 27.41 29.40 3m7i h HIS 597 CO 0.40 0.86 -0.77 0.15 0.86 0.00 0.00 177.93 179.44 3m7i s LYS 598 N -3.30 0.90 -0.07 2.45 1.02 -0.81 -5.02 119.74 114.91 3m7i s LYS 598 Ca -0.02 -1.08 0.02 0.00 0.02 0.00 0.00 55.97 54.91 3m7i s LYS 598 Cb 0.11 -0.82 0.01 0.00 -0.52 0.00 0.00 37.83 36.61 3m7i s LYS 598 CO 0.81 0.17 -0.13 0.08 -0.92 0.00 0.00 175.35 175.36 3m7i s VAL 599 N -1.72 1.21 -0.52 3.17 1.01 -1.26 -1.00 120.40 121.29 3m7i s VAL 599 Ca 0.03 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 3m7i s VAL 599 Cb -0.07 -1.11 0.14 0.00 0.00 0.00 0.00 36.38 35.33 3m7i s VAL 599 CO 0.02 0.38 0.31 -0.47 0.00 0.00 0.00 175.10 175.33 3m7i s TYR 600 N 0.75 3.46 0.00 5.22 5.04 0.15 -4.94 117.35 127.02 3m7i s TYR 600 Ca -0.13 -2.74 0.00 0.00 -2.44 0.00 0.00 57.07 51.77 3m7i s TYR 600 Cb -0.16 -3.12 0.00 0.00 0.35 0.00 0.00 41.96 39.04 3m7i s TYR 600 CO 0.03 -0.87 0.00 0.41 -1.34 0.00 0.00 175.55 173.78 3m7i n GLY 601 N 3.81 6.56 3.17 8.97 0.00 -1.26 -2.39 105.19 124.04 3m7i n GLY 601 Ca 0.04 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 3m7i n GLY 601 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m7i s ILE 602 N 0.43 2.00 -1.41 -0.61 1.01 -0.63 -4.89 121.20 117.09 3m7i s ILE 602 Ca 0.00 -0.95 0.13 0.00 0.00 0.00 0.00 60.65 59.83 3m7i s ILE 602 Cb 0.00 -1.76 0.21 0.00 0.01 0.00 0.00 42.46 40.92 3m7i s ILE 602 CO 0.00 0.54 1.08 -0.62 0.00 0.00 0.00 174.94 175.94 3m7i n GLU 603 N 3.96 1.67 -4.48 2.79 1.02 -1.26 -3.20 120.64 121.13 3m7i n GLU 603 Ca -0.20 -1.65 -0.25 0.00 -0.02 0.00 0.00 57.16 55.05 3m7i n GLU 603 Cb 0.52 -1.28 -0.08 0.00 -0.02 0.00 0.00 31.44 30.58 3m7i n GLU 603 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3m7i s SER 604 N -1.05 2.65 0.97 1.62 1.04 -1.26 -5.09 113.70 112.58 3m7i s SER 604 Ca 0.20 -1.70 -0.12 0.00 0.48 0.00 0.00 55.95 54.81 3m7i s SER 604 Cb 0.12 0.53 0.17 0.00 0.10 0.00 0.00 66.02 66.95 3m7i s SER 604 CO 0.17 -0.96 1.11 -0.36 0.98 0.00 0.00 173.24 174.18 3m7i s PHE 605 N -3.24 2.24 0.00 5.02 0.08 -1.26 -4.99 117.98 115.82 3m7i s PHE 605 Ca 0.26 0.92 0.00 0.00 0.12 0.00 0.00 56.93 58.23 3m7i s PHE 605 Cb 0.02 -3.32 0.00 0.00 -0.57 0.00 0.00 43.02 39.16 3m7i s PHE 605 CO 0.16 -2.74 0.00 0.41 -0.10 0.00 0.00 175.22 172.95 3m7i n GLY 606 N -1.49 -1.21 3.11 4.36 0.00 -1.26 -5.08 105.19 103.62 3m7i n GLY 606 Ca 0.06 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 3m7i n GLY 606 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m7i s GLU 607 N -1.28 0.47 -0.30 1.61 0.41 -1.26 -4.62 118.70 113.73 3m7i s GLU 607 Ca 0.00 -0.29 -0.28 0.00 -0.41 0.00 0.00 54.97 53.99 3m7i s GLU 607 Cb 0.00 0.20 0.01 0.00 -1.78 0.00 0.00 34.13 32.56 3m7i s GLU 607 CO 0.00 -0.11 1.01 0.45 -0.49 0.00 0.00 175.26 176.12 3m7i s SER 608 N -1.19 6.90 -0.07 -0.19 0.15 -1.26 -4.50 113.70 113.54 3m7i s SER 608 Ca -0.13 1.02 -0.31 0.00 0.70 0.00 0.00 55.95 57.23 3m7i s SER 608 Cb -0.07 -2.51 0.13 0.00 -1.71 0.00 0.00 66.02 61.86 3m7i s SER 608 CO 0.02 -0.79 1.38 -0.83 1.20 0.00 0.00 173.24 174.22 3m7i s GLY 609 N 1.57 -0.38 0.27 9.45 0.00 -1.20 -4.94 107.32 112.09 3m7i s GLY 609 Ca 0.42 0.62 -0.30 0.00 0.00 0.00 0.00 44.72 45.46 3m7i s GLY 609 CO 0.13 2.37 1.35 0.28 0.00 0.00 0.00 173.10 177.23 3m7i n LYS 610 N -0.66 2.00 -0.27 2.90 5.02 -1.26 -1.49 118.16 124.40 3m7i n LYS 610 Ca -0.04 0.71 0.07 0.00 -2.02 0.00 0.00 58.31 57.03 3m7i n LYS 610 Cb 0.62 -2.32 0.19 0.00 -0.02 0.00 0.00 35.03 33.50 3m7i n LYS 610 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 3m7i h ASP 611 N 3.65 -0.25 -0.27 4.39 3.04 -1.87 0.13 116.42 125.24 3m7i h ASP 611 Ca -0.45 0.19 -0.08 0.00 -3.24 0.00 0.00 57.03 53.46 3m7i h ASP 611 Cb 1.28 0.32 -0.02 0.00 -1.04 0.00 0.00 39.33 39.88 3m7i h ASP 611 CO 0.71 -0.17 -0.09 0.11 -2.04 0.00 0.00 179.24 177.77 3m7i h LYS 612 N 0.14 0.66 -0.43 4.15 1.57 -1.92 -0.72 116.57 120.02 3m7i h LYS 612 Ca 0.45 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 3m7i h LYS 612 Cb 0.83 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 3m7i h LYS 612 CO -0.66 0.74 0.00 -0.44 -0.57 0.00 0.00 179.45 178.52 3m7i h ASP 613 N 0.61 0.74 -0.26 0.86 3.32 -1.19 -2.21 116.42 118.28 3m7i h ASP 613 Ca 0.11 -0.31 -0.17 0.00 0.02 0.00 0.00 57.03 56.69 3m7i h ASP 613 Cb 0.52 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3m7i h ASP 613 CO 0.03 0.87 -0.49 0.58 -1.72 0.00 0.00 179.24 178.51 3m7i h VAL 614 N 0.60 1.29 -0.89 -1.35 2.07 -0.67 -1.42 116.25 115.88 3m7i h VAL 614 Ca 0.12 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 3m7i h VAL 614 Cb 0.49 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 3m7i h VAL 614 CO 0.02 0.54 0.48 -0.26 0.02 0.00 0.00 177.57 178.37 3m7i h PHE 615 N 0.55 1.23 -0.32 1.57 0.04 -1.14 -1.39 116.94 117.46 3m7i h PHE 615 Ca 0.01 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 3m7i h PHE 615 Cb 1.09 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 3m7i h PHE 615 CO 0.08 0.85 -0.03 1.49 -0.60 0.00 0.00 178.31 180.10 3m7i h GLU 616 N 1.25 0.59 -1.00 1.51 4.57 -1.27 0.16 114.58 120.39 3m7i h GLU 616 Ca 0.31 -0.20 0.11 0.00 -1.18 0.00 0.00 59.36 58.40 3m7i h GLU 616 Cb 0.04 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 28.50 3m7i h GLU 616 CO -0.05 0.74 0.63 -0.09 -1.18 0.00 0.00 179.01 179.06 3m7i h ARG 617 N 0.38 0.99 -0.25 1.92 9.65 -0.94 -1.04 114.38 125.09 3m7i h ARG 617 Ca 0.09 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3m7i h ARG 617 Cb 0.49 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 3m7i h ARG 617 CO 0.02 0.66 0.00 1.19 2.80 0.00 0.00 179.97 184.64 3m7i n PHE 618 N -4.60 0.34 -0.50 2.20 3.72 -0.55 -4.93 117.46 113.14 3m7i n PHE 618 Ca 0.18 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3m7i n PHE 618 Cb 0.33 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 3m7i n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3m7i n GLY 619 N 1.03 0.75 3.43 1.37 0.00 -0.39 -4.95 105.19 106.43 3m7i n GLY 619 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 3m7i n GLY 619 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3m7i n PHE 620 N -2.43 4.91 -3.76 1.61 3.72 -0.00 -4.32 117.46 117.19 3m7i n PHE 620 Ca 0.00 -3.39 -0.13 0.00 -0.05 0.00 0.00 57.45 53.88 3m7i n PHE 620 Cb 0.00 -2.13 -0.09 0.00 -0.94 0.00 0.00 39.48 36.32 3m7i n PHE 620 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3m7i s SER 621 N 2.57 -0.21 0.15 4.37 1.04 -1.26 -4.47 113.70 115.88 3m7i s SER 621 Ca 0.42 0.20 -0.19 0.00 0.48 0.00 0.00 55.95 56.85 3m7i s SER 621 Cb -0.03 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.51 3m7i s SER 621 CO -0.00 -0.38 1.67 0.58 0.98 0.00 0.00 173.24 176.09 3m7i h VAL 622 N 4.04 0.63 -0.81 5.02 2.07 -1.89 -0.68 116.25 124.63 3m7i h VAL 622 Ca -0.29 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.26 3m7i h VAL 622 Cb 1.18 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 3m7i h VAL 622 CO 0.38 0.00 0.52 0.28 0.02 0.00 0.00 177.57 178.77 3m7i h SER 623 N -0.07 0.86 0.07 0.57 0.02 -1.98 -0.60 113.55 112.42 3m7i h SER 623 Ca 0.14 -0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.90 3m7i h SER 623 Cb 0.28 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 3m7i h SER 623 CO -0.32 0.59 -0.70 0.11 -1.14 0.00 0.00 176.83 175.38 3m7i h LYS 624 N 1.01 0.57 -0.13 3.45 1.57 -1.78 -1.55 116.57 119.70 3m7i h LYS 624 Ca 0.32 -0.44 -0.22 0.00 -1.87 0.00 0.00 60.65 58.44 3m7i h LYS 624 Cb 0.01 0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.41 3m7i h LYS 624 CO -0.11 1.06 -0.78 1.25 -0.57 0.00 0.00 179.45 180.30 3m7i h LEU 625 N 0.40 0.91 -0.51 2.94 5.85 -0.82 -1.89 115.31 122.20 3m7i h LEU 625 Ca -0.03 -0.64 -0.02 0.00 0.84 0.00 0.00 57.88 58.03 3m7i h LEU 625 Cb 1.28 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 3m7i h LEU 625 CO 0.13 1.41 0.26 0.58 -0.34 0.00 0.00 178.44 180.48 3m7i h VAL 626 N 0.48 1.19 -0.99 1.05 2.07 -1.11 -0.20 116.25 118.74 3m7i h VAL 626 Ca -0.06 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 66.97 3m7i h VAL 626 Cb 1.42 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 3m7i h VAL 626 CO 0.16 0.21 0.66 0.78 0.02 0.00 0.00 177.57 179.39 3m7i h ASN 627 N 0.68 1.12 -0.41 0.57 2.35 -1.16 -0.00 115.58 118.73 3m7i h ASN 627 Ca 0.18 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3m7i h ASN 627 Cb 0.09 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 3m7i h ASN 627 CO -0.02 0.79 0.23 0.15 -1.65 0.00 0.00 177.43 176.93 3m7i h PHE 628 N 1.31 0.55 -0.54 1.19 3.57 -0.90 -0.14 116.94 121.98 3m7i h PHE 628 Ca 0.38 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.79 3m7i h PHE 628 Cb -0.09 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 3m7i h PHE 628 CO -0.00 0.40 0.03 0.82 -2.23 0.00 0.00 178.31 177.33 3m7i h ILE 629 N 0.53 1.25 -0.22 1.41 2.04 -0.43 -0.72 117.51 121.37 3m7i h ILE 629 Ca 0.14 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.98 3m7i h ILE 629 Cb 0.03 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3m7i h ILE 629 CO -0.03 0.37 0.00 0.18 0.00 0.00 0.00 178.15 178.67 3m7i n LEU 630 N -4.21 1.41 -4.14 1.44 4.77 -0.07 -4.93 117.00 111.28 3m7i n LEU 630 Ca 0.03 -0.71 -0.32 0.00 -0.03 0.00 0.00 56.01 54.99 3m7i n LEU 630 Cb 0.30 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 3m7i n LEU 630 CO 0.42 0.31 -0.34 -1.54 -1.33 0.00 0.00 177.39 174.92 3m7i n SER 631 N 0.17 -0.52 0.00 -1.43 3.41 -0.28 -5.04 113.62 109.93 3m7i n SER 631 Ca 0.08 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 3m7i n SER 631 Cb 0.25 -2.15 0.00 0.00 -0.26 0.00 0.00 64.21 62.05 3m7i n SER 631 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17