#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f9i s MET 30 N 0.00 2.30 -0.03 0.38 -1.94 -1.26 0.29 119.30 119.04 2f9i s MET 30 Ca 0.00 -0.99 0.01 0.00 -1.71 0.00 0.00 55.69 53.00 2f9i s MET 30 Cb 0.00 -2.38 0.02 0.00 2.01 0.00 0.00 34.83 34.47 2f9i s MET 30 CO 0.00 0.51 -0.03 0.99 -0.01 0.00 0.00 175.02 176.47 2f9i s THR 31 N -1.34 0.40 -0.16 2.05 2.01 0.10 -4.59 115.64 114.10 2f9i s THR 31 Ca 0.24 -0.09 -0.13 0.00 0.31 0.00 0.00 61.69 62.03 2f9i s THR 31 Cb -0.11 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 2f9i s THR 31 CO 0.16 0.17 0.25 -0.75 -0.69 0.00 0.00 174.62 173.76 2f9i s LYS 32 N 0.69 4.17 -0.01 4.92 2.20 -1.26 -0.62 119.74 129.83 2f9i s LYS 32 Ca -0.08 0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 55.25 2f9i s LYS 32 Cb -0.11 -3.40 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 2f9i s LYS 32 CO -0.00 0.31 1.57 0.00 -0.36 0.00 0.00 175.35 176.86 2f9i h PRO 34 N 8.68 0.00 0.00 0.00 0.11 -1.95 0.70 132.00 139.54 2f9i h PRO 34 Ca -0.39 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.42 2f9i h PRO 34 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2f9i h PRO 34 CO 0.93 0.00 -1.71 1.63 -0.21 0.00 0.00 178.00 178.65 2f9i n LYS 35 N -3.93 0.56 0.00 1.05 4.76 -1.26 -4.61 118.16 114.73 2f9i n LYS 35 Ca 0.02 0.43 0.11 0.00 -2.87 0.00 0.00 58.31 56.00 2f9i n LYS 35 Cb 0.33 -1.63 0.01 0.00 -1.84 0.00 0.00 35.03 31.90 2f9i n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2f9i n LYS 37 N -0.17 -0.29 -1.86 0.00 4.76 0.24 -4.97 118.16 115.86 2f9i n LYS 37 Ca 0.09 0.07 -0.41 0.00 -2.87 0.00 0.00 58.31 55.19 2f9i n LYS 37 Cb 0.45 -3.69 -0.01 0.00 -1.84 0.00 0.00 35.03 29.93 2f9i n LYS 37 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2f9i s LYS 38 N -0.67 4.17 -0.09 1.97 -0.14 -1.26 -4.52 119.74 119.20 2f9i s LYS 38 Ca 0.00 2.48 -0.14 0.00 -1.36 0.00 0.00 55.97 56.95 2f9i s LYS 38 Cb 0.00 -3.04 -0.05 0.00 -1.68 0.00 0.00 37.83 33.07 2f9i s LYS 38 CO 0.00 -0.53 0.35 0.42 -0.76 0.00 0.00 175.35 174.83 2f9i s ILE 39 N -0.31 5.20 0.10 2.17 1.01 -1.26 -0.66 121.20 127.46 2f9i s ILE 39 Ca 0.59 0.70 0.03 0.00 0.00 0.00 0.00 60.65 61.97 2f9i s ILE 39 Cb -0.46 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 2f9i s ILE 39 CO 0.50 0.46 -0.08 -0.04 0.00 0.00 0.00 174.94 175.78 2f9i s MET 40 N -0.18 0.84 0.08 2.79 -1.94 0.21 -4.96 119.30 116.14 2f9i s MET 40 Ca 0.21 -1.22 -0.31 0.00 -1.71 0.00 0.00 55.69 52.66 2f9i s MET 40 Cb -0.15 -0.39 -0.07 0.00 2.01 0.00 0.00 34.83 36.24 2f9i s MET 40 CO 0.08 0.04 1.29 0.71 -0.01 0.00 0.00 175.02 177.13 2f9i s TYR 41 N -2.90 3.33 0.27 -0.03 2.02 -1.26 0.02 117.35 118.80 2f9i s TYR 41 Ca 0.08 1.13 0.01 0.00 -0.37 0.00 0.00 57.07 57.91 2f9i s TYR 41 Cb 0.00 -3.55 0.62 0.00 -0.40 0.00 0.00 41.96 38.64 2f9i s TYR 41 CO -0.02 -1.82 1.70 1.15 -1.57 0.00 0.00 175.55 175.00 2f9i h THR 42 N 4.41 0.53 -0.28 -0.71 2.02 -0.42 0.10 112.91 118.56 2f9i h THR 42 Ca -0.42 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 2f9i h THR 42 Cb 1.21 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2f9i h THR 42 CO 0.84 0.07 0.08 0.11 0.37 0.00 0.00 175.52 177.00 2f9i h LYS 43 N 0.40 0.44 -0.33 6.66 1.79 -1.92 -0.10 116.57 123.52 2f9i h LYS 43 Ca 0.50 -0.10 -0.06 0.00 -2.18 0.00 0.00 60.65 58.81 2f9i h LYS 43 Cb 0.89 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 2f9i h LYS 43 CO -0.49 0.50 -0.04 0.93 -1.08 0.00 0.00 179.45 179.27 2f9i h GLU 44 N 0.29 0.61 -0.40 3.15 3.07 -1.77 -1.63 114.58 117.90 2f9i h GLU 44 Ca 0.09 -0.21 0.07 0.00 -0.50 0.00 0.00 59.36 58.81 2f9i h GLU 44 Cb 0.25 -0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.05 2f9i h GLU 44 CO -0.00 0.76 -0.01 1.25 -1.40 0.00 0.00 179.01 179.61 2f9i h LEU 45 N 0.40 -0.19 -1.25 1.33 5.85 -0.67 -1.50 115.31 119.29 2f9i h LEU 45 Ca 0.09 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2f9i h LEU 45 Cb 0.51 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 2f9i h LEU 45 CO 0.02 -0.05 0.38 0.00 -0.34 0.00 0.00 178.44 178.45 2f9i h ALA 46 N 1.35 1.44 0.00 1.25 0.00 -0.82 0.49 119.26 122.97 2f9i h ALA 46 Ca 0.19 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2f9i h ALA 46 Cb 0.28 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2f9i h ALA 46 CO -0.33 0.48 -0.14 0.93 0.00 0.00 0.00 179.25 180.18 2f9i h GLU 47 N 0.90 0.00 -0.71 0.00 5.08 -0.49 -0.62 114.58 118.73 2f9i h GLU 47 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2f9i h GLU 47 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2f9i h GLU 47 CO -0.04 0.14 0.00 -1.71 -1.00 0.00 0.00 179.01 176.40 2f9i n ASN 48 N -3.39 3.68 -3.68 1.42 4.05 -0.29 -4.90 115.26 112.14 2f9i n ASN 48 Ca -0.01 -2.49 -0.27 0.00 0.45 0.00 0.00 54.58 52.26 2f9i n ASN 48 Cb 0.33 -0.58 0.03 0.00 1.23 0.00 0.00 39.78 40.80 2f9i n ASN 48 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2f9i n LEU 49 N 0.43 -2.57 -2.66 1.20 4.77 -0.24 -2.01 117.00 115.92 2f9i n LEU 49 Ca 0.17 -0.63 -0.21 0.00 -0.03 0.00 0.00 56.01 55.31 2f9i n LEU 49 Cb 0.77 -2.63 0.01 0.00 -2.33 0.00 0.00 43.42 39.23 2f9i n LEU 49 CO 0.19 0.43 -0.16 0.59 -1.33 0.00 0.00 177.39 177.11 2f9i n ASN 50 N -2.75 -5.70 -4.65 -1.43 5.03 0.01 -4.86 115.26 100.90 2f9i n ASN 50 Ca 0.01 -0.10 -0.37 0.00 0.87 0.00 0.00 54.58 54.99 2f9i n ASN 50 Cb 0.54 -4.70 -0.09 0.00 -1.02 0.00 0.00 39.78 34.51 2f9i n ASN 50 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2f9i s VAL 51 N -3.04 5.34 0.00 2.41 1.01 -0.85 -1.00 120.40 124.27 2f9i s VAL 51 Ca 0.12 0.22 -0.31 0.00 0.00 0.00 0.00 61.98 62.01 2f9i s VAL 51 Cb -0.05 -3.52 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 2f9i s VAL 51 CO 0.15 0.33 1.96 0.00 0.00 0.00 0.00 175.10 177.54 2f9i h PHE 53 N 10.38 0.00 0.00 0.00 -1.00 -1.96 -0.10 116.94 124.26 2f9i h PHE 53 Ca -0.49 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.27 2f9i h PHE 53 Cb 1.25 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.81 2f9i h PHE 53 CO 0.94 0.00 -0.49 -0.97 -1.61 0.00 0.00 178.31 176.18 2f9i h ASN 54 N 0.00 0.00 -0.09 2.17 -1.24 -1.98 -3.42 115.58 111.01 2f9i h ASN 54 Ca 0.08 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2f9i h ASN 54 Cb 0.33 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.38 2f9i h ASN 54 CO -0.00 0.77 0.00 0.00 -1.29 0.00 0.00 177.43 176.91 2f9i n ASP 56 N 0.94 -3.13 -4.70 0.00 2.03 -0.05 -4.98 116.55 106.66 2f9i n ASP 56 Ca 0.11 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.98 2f9i n ASP 56 Cb 0.43 -1.55 -0.03 0.00 -0.72 0.00 0.00 41.12 39.24 2f9i n ASP 56 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2f9i n HIS 57 N -2.44 2.58 -2.92 -0.67 -0.00 -1.26 -4.56 115.22 105.96 2f9i n HIS 57 Ca 0.00 0.09 -0.43 0.00 -0.00 0.00 0.00 57.72 57.38 2f9i n HIS 57 Cb 0.15 -2.64 -0.05 0.00 -0.00 0.00 0.00 29.99 27.45 2f9i n HIS 57 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2f9i s HIS 58 N 1.32 3.05 0.26 1.57 3.76 -1.26 -0.91 115.29 123.08 2f9i s HIS 58 Ca 0.77 0.47 -0.15 0.00 -0.15 0.00 0.00 55.06 56.00 2f9i s HIS 58 Cb -0.56 -3.58 -0.08 0.00 1.11 0.00 0.00 32.58 29.47 2f9i s HIS 58 CO 0.35 -0.86 0.68 0.42 -0.85 0.00 0.00 174.74 174.48 2f9i s ILE 59 N 3.29 4.71 0.35 0.60 1.01 -0.17 -5.01 121.20 125.98 2f9i s ILE 59 Ca 0.33 0.95 -0.27 0.00 0.00 0.00 0.00 60.65 61.66 2f9i s ILE 59 Cb -0.12 -3.69 -0.12 0.00 0.01 0.00 0.00 42.46 38.53 2f9i s ILE 59 CO 0.20 -0.01 1.05 0.00 0.00 0.00 0.00 174.94 176.18 2f9i n ALA 60 N 0.09 0.18 -2.96 9.38 0.00 -1.26 -4.80 120.51 121.14 2f9i n ALA 60 Ca 0.00 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.43 2f9i n ALA 60 Cb 0.52 -2.08 -0.13 0.00 0.00 0.00 0.00 19.45 17.77 2f9i n ALA 60 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2f9i s LEU 61 N -0.13 3.12 0.77 0.00 2.96 -1.26 -4.97 118.68 119.17 2f9i s LEU 61 Ca 0.60 -0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 54.23 2f9i s LEU 61 Cb -0.62 -1.74 0.05 0.00 0.50 0.00 0.00 46.19 44.38 2f9i s LEU 61 CO 0.59 0.18 1.08 0.42 -1.32 0.00 0.00 176.35 177.30 2f9i s THR 62 N 0.30 3.44 0.15 3.68 -4.23 -1.26 -4.76 115.64 112.96 2f9i s THR 62 Ca -0.05 0.47 -0.24 0.00 -1.18 0.00 0.00 61.69 60.69 2f9i s THR 62 Cb -0.14 -3.09 0.01 0.00 1.34 0.00 0.00 72.50 70.62 2f9i s THR 62 CO 0.04 -0.61 1.62 0.00 -0.54 0.00 0.00 174.62 175.12 2f9i h ALA 63 N -1.04 -0.23 -0.09 3.99 0.00 -1.89 -0.42 119.26 119.58 2f9i h ALA 63 Ca -0.45 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 2f9i h ALA 63 Cb 1.24 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2f9i h ALA 63 CO 0.55 -0.72 -0.37 1.88 0.00 0.00 0.00 179.25 180.58 2f9i h TYR 64 N -0.31 0.22 -0.31 0.00 0.05 -1.95 -1.73 116.97 112.94 2f9i h TYR 64 Ca 0.12 -0.05 -0.14 0.00 0.05 0.00 0.00 58.73 58.71 2f9i h TYR 64 Cb 0.50 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.18 2f9i h TYR 64 CO -0.41 0.55 -0.33 0.87 -1.05 0.00 0.00 178.16 177.78 2f9i h LYS 65 N 0.17 0.78 -0.15 4.88 1.79 -1.85 -0.33 116.57 121.84 2f9i h LYS 65 Ca 0.02 -0.42 0.03 0.00 -2.18 0.00 0.00 60.65 58.10 2f9i h LYS 65 Cb 0.74 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.38 2f9i h LYS 65 CO 0.06 1.05 -0.06 -0.09 -1.08 0.00 0.00 179.45 179.32 2f9i h ARG 66 N 0.54 -0.04 -0.61 3.15 9.65 -0.86 -1.22 114.38 124.99 2f9i h ARG 66 Ca 0.05 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.96 2f9i h ARG 66 Cb 0.91 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.46 2f9i h ARG 66 CO 0.08 -0.03 0.37 0.82 2.80 0.00 0.00 179.97 184.01 2f9i h ILE 67 N -0.04 1.06 -0.78 1.20 2.04 -1.16 -2.30 117.51 117.52 2f9i h ILE 67 Ca 0.08 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.74 2f9i h ILE 67 Cb 0.16 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 2f9i h ILE 67 CO -0.18 0.13 0.48 -0.08 0.00 0.00 0.00 178.15 178.51 2f9i h GLU 68 N 0.72 0.89 0.00 2.37 4.81 -0.81 -2.60 114.58 119.96 2f9i h GLU 68 Ca 0.25 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2f9i h GLU 68 Cb 0.04 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 2f9i h GLU 68 CO -0.11 0.59 -0.06 0.00 -0.73 0.00 0.00 179.01 178.70 2f9i h ALA 69 N 1.36 1.09 -0.14 2.92 0.00 -0.64 -3.14 119.26 120.70 2f9i h ALA 69 Ca 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2f9i h ALA 69 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2f9i h ALA 69 CO -0.15 0.08 0.00 0.44 0.00 0.00 0.00 179.25 179.62 2f9i n ILE 70 N -3.29 0.94 -4.26 0.00 -5.35 -1.01 -4.72 119.36 101.67 2f9i n ILE 70 Ca -0.01 -0.97 -0.15 0.00 -0.27 0.00 0.00 62.75 61.36 2f9i n ILE 70 Cb 0.24 0.54 -0.10 0.00 -1.74 0.00 0.00 39.64 38.58 2f9i n ILE 70 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2f9i s SER 71 N -0.96 1.81 0.17 7.28 1.04 -1.04 -4.58 113.70 117.43 2f9i s SER 71 Ca 0.10 -1.04 -0.30 0.00 0.48 0.00 0.00 55.95 55.18 2f9i s SER 71 Cb 0.05 -0.01 -0.08 0.00 0.10 0.00 0.00 66.02 66.08 2f9i s SER 71 CO 0.07 -0.35 1.25 -1.81 0.98 0.00 0.00 173.24 173.38 2f9i s ASP 72 N -3.19 7.00 0.07 7.02 1.01 0.22 -4.93 116.67 123.86 2f9i s ASP 72 Ca 0.18 2.28 -0.37 0.00 0.71 0.00 0.00 52.55 55.35 2f9i s ASP 72 Cb 0.03 -2.60 -0.17 0.00 1.01 0.00 0.00 42.92 41.18 2f9i s ASP 72 CO 0.02 -0.46 1.31 1.21 0.21 0.00 0.00 175.17 177.46 2f9i n GLU 73 N 2.81 0.99 -1.01 8.23 2.13 -1.26 -1.73 120.64 130.80 2f9i n GLU 73 Ca 0.06 0.36 -0.00 0.00 0.66 0.00 0.00 57.16 58.24 2f9i n GLU 73 Cb 0.44 -1.98 -0.00 0.00 0.27 0.00 0.00 31.44 30.17 2f9i n GLU 73 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2f9i n GLY 74 N 2.42 0.41 0.08 8.31 0.00 -1.26 -4.90 105.19 110.25 2f9i n GLY 74 Ca 0.19 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.27 2f9i n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2f9i n SER 75 N -0.13 1.02 -4.70 1.61 3.41 -0.70 -4.94 113.62 109.18 2f9i n SER 75 Ca -0.00 -0.89 -0.42 0.00 -0.26 0.00 0.00 58.87 57.30 2f9i n SER 75 Cb 0.11 0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 64.73 2f9i n SER 75 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2f9i s PHE 76 N -2.90 3.56 -0.21 7.33 5.36 -1.26 -4.10 117.98 125.76 2f9i s PHE 76 Ca 0.11 1.59 0.02 0.00 -0.96 0.00 0.00 56.93 57.69 2f9i s PHE 76 Cb 0.17 -3.20 0.04 0.00 -0.34 0.00 0.00 43.02 39.69 2f9i s PHE 76 CO 0.77 -0.31 -0.16 0.99 -1.46 0.00 0.00 175.22 175.05 2f9i s THR 77 N 1.34 2.07 0.19 0.12 2.01 -0.13 -5.00 115.64 116.24 2f9i s THR 77 Ca 0.52 -1.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 2f9i s THR 77 Cb -0.22 -2.00 -0.08 0.00 0.01 0.00 0.00 72.50 70.22 2f9i s THR 77 CO 0.25 0.31 0.97 -0.70 -0.69 0.00 0.00 174.62 174.77 2f9i s GLU 78 N 1.23 4.76 0.08 4.92 2.12 -1.26 -1.40 118.70 129.16 2f9i s GLU 78 Ca -0.00 1.51 0.02 0.00 0.36 0.00 0.00 54.97 56.86 2f9i s GLU 78 Cb -0.16 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 2f9i s GLU 78 CO -0.10 0.34 0.14 -0.06 -0.54 0.00 0.00 175.26 175.05 2f9i s PHE 79 N -0.63 3.33 -1.76 5.30 0.40 0.22 -4.64 117.98 120.20 2f9i s PHE 79 Ca 0.44 0.14 -0.21 0.00 -0.60 0.00 0.00 56.93 56.70 2f9i s PHE 79 Cb -0.26 -1.67 0.20 0.00 0.51 0.00 0.00 43.02 41.81 2f9i s PHE 79 CO 0.32 0.55 0.66 -0.25 0.70 0.00 0.00 175.22 177.19 2f9i n ASP 80 N 0.29 -2.44 -0.02 1.36 8.00 -1.26 -4.50 116.55 117.98 2f9i n ASP 80 Ca -0.07 -1.09 0.15 0.00 0.71 0.00 0.00 54.79 54.48 2f9i n ASP 80 Cb 0.52 -2.06 0.59 0.00 -0.02 0.00 0.00 41.12 40.14 2f9i n ASP 80 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2f9i h LYS 81 N -1.09 0.21 -0.09 -1.24 3.64 -1.92 -2.76 116.57 113.32 2f9i h LYS 81 Ca -0.58 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 2f9i h LYS 81 Cb 1.37 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2f9i h LYS 81 CO 0.82 0.14 0.00 0.41 -2.27 0.00 0.00 179.45 178.55 2f9i n GLY 82 N -1.57 0.98 3.77 5.01 0.00 -1.26 -4.74 105.19 107.38 2f9i n GLY 82 Ca 0.08 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 2f9i n GLY 82 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2f9i s MET 83 N -1.91 4.22 0.09 1.61 -2.45 -1.04 -5.01 119.30 114.80 2f9i s MET 83 Ca 0.31 2.41 0.03 0.00 -1.25 0.00 0.00 55.69 57.19 2f9i s MET 83 Cb 0.21 -3.03 -0.03 0.00 1.25 0.00 0.00 34.83 33.22 2f9i s MET 83 CO 0.31 -0.41 -0.09 -0.08 1.05 0.00 0.00 175.02 175.79 2f9i s THR 84 N -0.79 0.81 0.42 10.11 -1.32 -1.26 -4.64 115.64 118.96 2f9i s THR 84 Ca 0.54 -1.58 -0.23 0.00 -1.21 0.00 0.00 61.69 59.20 2f9i s THR 84 Cb -0.44 -1.27 -0.09 0.00 -1.51 0.00 0.00 72.50 69.20 2f9i s THR 84 CO 0.54 -0.58 1.06 -0.44 -2.21 0.00 0.00 174.62 172.99 2f9i s SER 85 N -2.38 6.64 0.32 8.08 0.01 -1.26 -4.91 113.70 120.19 2f9i s SER 85 Ca 0.03 2.07 0.03 0.00 1.31 0.00 0.00 55.95 59.39 2f9i s SER 85 Cb -0.03 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.65 2f9i s SER 85 CO -0.01 -0.58 0.28 0.00 0.41 0.00 0.00 173.24 173.34 2f9i n ALA 86 N -0.21 0.53 -3.25 1.44 0.00 -1.26 -5.05 120.51 112.71 2f9i n ALA 86 Ca 0.06 -1.27 -0.25 0.00 0.00 0.00 0.00 53.44 51.98 2f9i n ALA 86 Cb 0.50 0.49 -0.06 0.00 0.00 0.00 0.00 19.45 20.37 2f9i n ALA 86 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2f9i n ASN 87 N -2.04 2.47 0.29 0.00 5.15 -1.26 -4.93 115.26 114.94 2f9i n ASN 87 Ca 0.01 -3.21 0.13 0.00 -0.60 0.00 0.00 54.58 50.91 2f9i n ASN 87 Cb 0.36 -0.64 0.83 0.00 -0.53 0.00 0.00 39.78 39.80 2f9i n ASN 87 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2f9i h PRO 88 N 3.80 0.00 -0.11 1.20 0.13 -1.98 -0.19 132.00 134.86 2f9i h PRO 88 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2f9i h PRO 88 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2f9i h PRO 88 CO 0.68 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 179.75 2f9i n LEU 89 N -4.01 2.33 -3.91 1.56 4.77 -1.26 -4.95 117.00 111.53 2f9i n LEU 89 Ca -0.03 -0.85 -0.28 0.00 -0.03 0.00 0.00 56.01 54.82 2f9i n LEU 89 Cb 0.10 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2f9i n LEU 89 CO 0.29 0.43 -0.02 0.47 -1.33 0.00 0.00 177.39 177.23 2f9i n ASP 90 N 0.79 -2.76 -4.72 -1.43 8.00 -0.08 -4.91 116.55 111.44 2f9i n ASP 90 Ca 0.17 -0.87 -0.42 0.00 0.71 0.00 0.00 54.79 54.38 2f9i n ASP 90 Cb 0.47 -3.60 -0.03 0.00 -0.02 0.00 0.00 41.12 37.94 2f9i n ASP 90 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2f9i s PHE 91 N -3.52 3.39 0.30 1.24 5.36 -1.26 -4.95 117.98 118.53 2f9i s PHE 91 Ca 0.38 1.25 -0.30 0.00 -0.96 0.00 0.00 56.93 57.30 2f9i s PHE 91 Cb -0.19 -3.48 -0.11 0.00 -0.34 0.00 0.00 43.02 38.89 2f9i s PHE 91 CO 0.85 -1.52 1.54 -2.14 -1.46 0.00 0.00 175.22 172.49 2f9i s PRO 92 N 0.78 4.15 0.00 10.12 0.02 -1.26 -2.80 135.00 146.01 2f9i s PRO 92 Ca 0.59 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.12 2f9i s PRO 92 Cb -0.32 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.17 2f9i s PRO 92 CO 0.31 -0.57 0.00 0.43 -0.33 0.00 0.00 177.00 176.85 2f9i n SER 93 N 1.89 0.00 0.27 2.53 7.64 -1.26 -4.91 113.62 119.78 2f9i n SER 93 Ca 0.07 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.76 2f9i n SER 93 Cb 0.38 -1.14 -0.10 0.00 -1.01 0.00 0.00 64.21 62.34 2f9i n SER 93 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2f9i h TYR 94 N 0.00 -1.44 0.00 1.43 3.20 -1.93 -1.14 116.97 117.09 2f9i h TYR 94 Ca 0.00 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2f9i h TYR 94 Cb 0.00 0.57 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 2f9i h TYR 94 CO 0.00 -0.67 -0.02 -0.07 -1.64 0.00 0.00 178.16 175.76 2f9i h LEU 95 N -0.98 0.00 -0.20 2.82 3.38 -1.91 -1.22 115.31 117.20 2f9i h LEU 95 Ca -0.05 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 2f9i h LEU 95 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2f9i h LEU 95 CO -0.10 0.02 -0.54 -0.33 0.09 0.00 0.00 178.44 177.58 2f9i h GLU 96 N 0.00 0.72 -0.74 1.13 5.08 -1.85 -2.41 114.58 116.51 2f9i h GLU 96 Ca -0.00 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 2f9i h GLU 96 Cb 0.06 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2f9i h GLU 96 CO 0.00 1.13 0.38 0.87 -1.00 0.00 0.00 179.01 180.39 2f9i h LYS 97 N 0.44 1.05 -0.04 2.33 1.57 -0.07 -2.60 116.57 119.25 2f9i h LYS 97 Ca -0.01 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2f9i h LYS 97 Cb 1.15 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2f9i h LYS 97 CO 0.12 0.80 -0.02 0.82 -0.57 0.00 0.00 179.45 180.60 2f9i h ILE 98 N 1.03 0.94 -0.59 1.86 1.08 -1.37 -2.50 117.51 117.96 2f9i h ILE 98 Ca 0.26 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.82 2f9i h ILE 98 Cb 0.08 0.94 -0.07 0.00 -3.07 0.00 0.00 36.82 34.69 2f9i h ILE 98 CO -0.04 0.00 0.20 -0.08 -0.69 0.00 0.00 178.15 177.54 2f9i h GLU 99 N -0.02 0.36 -0.42 2.37 4.81 -1.31 -0.16 114.58 120.22 2f9i h GLU 99 Ca 0.02 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2f9i h GLU 99 Cb 0.05 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2f9i h GLU 99 CO -0.05 0.24 0.23 0.87 -0.73 0.00 0.00 179.01 179.57 2f9i h LYS 100 N 0.37 0.45 -0.41 1.92 1.57 -1.33 0.08 116.57 119.22 2f9i h LYS 100 Ca 0.30 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 2f9i h LYS 100 Cb 0.38 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2f9i h LYS 100 CO -0.32 0.30 -0.05 -0.44 -0.57 0.00 0.00 179.45 178.38 2f9i h ASP 101 N 0.47 0.66 -0.34 0.86 5.19 -0.95 0.69 116.42 122.99 2f9i h ASP 101 Ca 0.17 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2f9i h ASP 101 Cb 0.05 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.37 2f9i h ASP 101 CO -0.10 0.76 0.22 1.56 -3.12 0.00 0.00 179.24 178.56 2f9i h GLN 102 N 0.64 0.45 -0.46 3.56 4.20 -0.62 -0.95 115.11 121.92 2f9i h GLN 102 Ca 0.12 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 2f9i h GLN 102 Cb 0.47 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 2f9i h GLN 102 CO 0.02 0.31 0.09 1.96 -0.67 0.00 0.00 178.83 180.55 2f9i h GLN 103 N 0.45 0.76 -0.54 1.46 4.20 -0.52 0.40 115.11 121.32 2f9i h GLN 103 Ca 0.12 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 2f9i h GLN 103 Cb -0.03 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 2f9i h GLN 103 CO -0.03 0.76 0.07 -0.22 -0.67 0.00 0.00 178.83 178.75 2f9i h LYS 104 N 0.63 0.87 0.00 1.46 3.64 -0.80 -3.35 116.57 119.02 2f9i h LYS 104 Ca 0.14 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2f9i h LYS 104 Cb 0.37 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2f9i h LYS 104 CO 0.01 0.82 -1.64 0.25 -2.27 0.00 0.00 179.45 176.62 2f9i n THR 105 N -4.24 0.23 -0.98 1.00 -2.24 -0.37 -4.98 114.28 102.71 2f9i n THR 105 Ca 0.03 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2f9i n THR 105 Cb 0.27 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2f9i n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f9i n GLY 106 N 1.94 0.46 3.87 3.38 0.00 0.14 -5.02 105.19 109.96 2f9i n GLY 106 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2f9i n GLY 106 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f9i s LEU 107 N 0.00 4.26 0.10 0.99 1.43 -1.25 -5.01 118.68 119.21 2f9i s LEU 107 Ca 0.00 0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 53.79 2f9i s LEU 107 Cb 0.00 -3.35 -0.08 0.00 0.03 0.00 0.00 46.19 42.78 2f9i s LEU 107 CO 0.00 0.05 1.42 0.11 0.23 0.00 0.00 176.35 178.16 2f9i h LYS 108 N 3.07 0.73 -3.57 1.70 6.56 -1.91 -3.37 116.57 119.78 2f9i h LYS 108 Ca -0.47 -0.39 -0.13 0.00 -1.06 0.00 0.00 60.65 58.60 2f9i h LYS 108 Cb 1.18 0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 32.81 2f9i h LYS 108 CO 0.69 1.01 0.02 -1.21 -2.06 0.00 0.00 179.45 177.89 2f9i s GLU 109 N -4.34 1.97 0.00 3.15 0.41 -1.26 -4.79 118.70 113.83 2f9i s GLU 109 Ca -0.12 -1.52 0.00 0.00 -0.41 0.00 0.00 54.97 52.92 2f9i s GLU 109 Cb 0.09 0.53 0.00 0.00 -1.78 0.00 0.00 34.13 32.96 2f9i s GLU 109 CO 0.84 -0.87 0.49 0.00 -0.49 0.00 0.00 175.26 175.23 2f9i n ALA 110 N -0.52 2.43 -3.12 5.21 0.00 -1.26 -4.72 120.51 118.53 2f9i n ALA 110 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 2f9i n ALA 110 Cb 0.61 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.95 2f9i n ALA 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2f9i s VAL 111 N -1.02 0.03 -0.11 0.00 0.11 -1.26 -0.99 120.40 117.16 2f9i s VAL 111 Ca 0.00 -0.25 0.03 0.00 -2.93 0.00 0.00 61.98 58.83 2f9i s VAL 111 Cb 0.00 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 2f9i s VAL 111 CO 0.00 -0.14 -0.22 -0.69 -3.33 0.00 0.00 175.10 170.72 2f9i s VAL 112 N -0.48 2.18 0.22 2.04 1.01 -0.49 -4.97 120.40 119.91 2f9i s VAL 112 Ca -0.06 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.04 2f9i s VAL 112 Cb -0.04 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 2f9i s VAL 112 CO 0.01 0.55 -0.14 0.42 0.00 0.00 0.00 175.10 175.94 2f9i s THR 113 N 0.45 1.79 -4.46 3.92 -4.23 -1.26 -0.88 115.64 110.97 2f9i s THR 113 Ca -0.15 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.14 2f9i s THR 113 Cb -0.17 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.56 2f9i s THR 113 CO 0.06 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 2f9i n GLY 114 N -0.42 -1.05 3.64 3.99 0.00 -0.50 -0.61 105.19 110.23 2f9i n GLY 114 Ca -0.07 -1.14 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 2f9i n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f9i s THR 115 N -3.00 3.31 0.32 2.61 -4.23 -0.49 -0.23 115.64 113.93 2f9i s THR 115 Ca 0.00 -1.94 -0.15 0.00 -1.18 0.00 0.00 61.69 58.42 2f9i s THR 115 Cb 0.00 -2.81 0.06 0.00 1.34 0.00 0.00 72.50 71.09 2f9i s THR 115 CO 0.00 -0.36 0.76 0.00 -0.54 0.00 0.00 174.62 174.48 2f9i n ALA 116 N -0.89 -1.77 -2.74 3.99 0.00 -0.57 -0.95 120.51 117.56 2f9i n ALA 116 Ca -0.06 -1.09 -0.17 0.00 0.00 0.00 0.00 53.44 52.12 2f9i n ALA 116 Cb 0.59 0.83 -0.12 0.00 0.00 0.00 0.00 19.45 20.75 2f9i n ALA 116 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2f9i s GLN 117 N -2.07 0.74 -0.09 0.00 -0.21 -1.26 -1.01 119.66 115.75 2f9i s GLN 117 Ca 0.16 -0.91 -0.01 0.00 0.02 0.00 0.00 55.36 54.62 2f9i s GLN 117 Cb -0.04 -0.66 0.03 0.00 1.00 0.00 0.00 33.01 33.34 2f9i s GLN 117 CO 0.09 0.14 -0.04 -1.17 -2.12 0.00 0.00 175.29 172.19 2f9i s LEU 118 N -1.72 0.93 -1.58 2.90 2.96 -0.33 0.72 118.68 122.55 2f9i s LEU 118 Ca -0.04 -0.21 -0.14 0.00 -0.22 0.00 0.00 54.13 53.52 2f9i s LEU 118 Cb -0.10 -0.67 0.10 0.00 0.50 0.00 0.00 46.19 46.03 2f9i s LEU 118 CO 0.02 -0.15 0.83 0.47 -1.32 0.00 0.00 176.35 176.20 2f9i n ASP 119 N 5.02 -3.57 0.00 3.68 8.00 -1.26 -1.58 116.55 126.84 2f9i n ASP 119 Ca -0.10 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.50 2f9i n ASP 119 Cb 0.50 -3.33 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 2f9i n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2f9i n GLY 120 N -1.59 1.26 3.67 0.44 0.00 -1.26 -5.02 105.19 102.69 2f9i n GLY 120 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2f9i n GLY 120 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2f9i s MET 121 N -0.04 4.08 0.20 1.61 -1.94 -0.61 -5.03 119.30 117.57 2f9i s MET 121 Ca 0.00 -0.27 -0.23 0.00 -1.71 0.00 0.00 55.69 53.48 2f9i s MET 121 Cb 0.00 -3.47 -0.08 0.00 2.01 0.00 0.00 34.83 33.28 2f9i s MET 121 CO 0.00 0.14 0.76 0.21 -0.01 0.00 0.00 175.02 176.12 2f9i s LYS 122 N 0.83 4.42 0.09 2.03 2.20 -1.26 -1.19 119.74 126.86 2f9i s LYS 122 Ca 0.07 1.03 -0.11 0.00 -0.36 0.00 0.00 55.97 56.61 2f9i s LYS 122 Cb -0.13 -3.05 0.01 0.00 -1.51 0.00 0.00 37.83 33.15 2f9i s LYS 122 CO 0.02 0.47 0.24 -0.59 -0.36 0.00 0.00 175.35 175.14 2f9i s PHE 123 N -1.35 0.05 0.19 4.03 -0.12 -0.18 -4.41 117.98 116.19 2f9i s PHE 123 Ca 0.40 -0.43 -0.07 0.00 -0.05 0.00 0.00 56.93 56.78 2f9i s PHE 123 Cb -0.20 0.02 -0.06 0.00 -0.63 0.00 0.00 43.02 42.15 2f9i s PHE 123 CO 0.23 -0.57 0.46 0.20 -0.05 0.00 0.00 175.22 175.49 2f9i s GLY 124 N -2.78 2.23 0.01 1.99 0.00 0.06 -1.52 107.32 107.31 2f9i s GLY 124 Ca 0.04 -0.44 -0.06 0.00 0.00 0.00 0.00 44.72 44.25 2f9i s GLY 124 CO -0.11 -0.34 0.11 0.54 0.00 0.00 0.00 173.10 173.30 2f9i s VAL 125 N -1.75 0.09 -0.04 1.40 0.11 0.68 -1.06 120.40 119.84 2f9i s VAL 125 Ca 0.44 -0.75 -0.01 0.00 -2.93 0.00 0.00 61.98 58.73 2f9i s VAL 125 Cb -0.12 -0.42 0.03 0.00 -1.53 0.00 0.00 36.38 34.35 2f9i s VAL 125 CO 0.23 -0.41 0.08 0.00 -3.33 0.00 0.00 175.10 171.67 2f9i s ALA 126 N -1.45 -0.05 -0.17 1.54 0.00 -0.78 -1.42 121.76 119.42 2f9i s ALA 126 Ca -0.15 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2f9i s ALA 126 Cb -0.08 -0.37 0.04 0.00 0.00 0.00 0.00 23.12 22.71 2f9i s ALA 126 CO 0.01 -0.17 -0.10 0.08 0.00 0.00 0.00 175.76 175.59 2f9i s VAL 127 N 1.22 1.44 0.29 0.00 1.01 -0.06 -0.30 120.40 124.00 2f9i s VAL 127 Ca -0.08 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 2f9i s VAL 127 Cb -0.12 -1.50 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 2f9i s VAL 127 CO -0.04 0.24 0.79 -0.04 0.00 0.00 0.00 175.10 176.04 2f9i s MET 128 N 1.50 4.22 -0.25 2.72 -1.94 -0.48 -1.40 119.30 123.68 2f9i s MET 128 Ca 0.01 0.90 0.01 0.00 -1.71 0.00 0.00 55.69 54.91 2f9i s MET 128 Cb -0.15 -2.65 0.06 0.00 2.01 0.00 0.00 34.83 34.11 2f9i s MET 128 CO -0.09 0.26 -0.04 0.34 -0.01 0.00 0.00 175.02 175.48 2f9i s ASP 129 N -1.90 3.93 0.00 3.03 -1.08 -0.16 -4.54 116.67 115.96 2f9i s ASP 129 Ca 0.50 -1.27 0.18 0.00 -0.52 0.00 0.00 52.55 51.44 2f9i s ASP 129 Cb -0.14 -1.20 1.03 0.00 -1.46 0.00 0.00 42.92 41.15 2f9i s ASP 129 CO 0.19 -0.25 1.51 -1.54 0.52 0.00 0.00 175.17 175.60 2f9i n SER 130 N 4.65 0.00 0.14 -0.34 3.41 -1.26 -2.15 113.62 118.07 2f9i n SER 130 Ca -0.10 -0.36 -0.00 0.00 -0.26 0.00 0.00 58.87 58.14 2f9i n SER 130 Cb 0.44 -0.10 0.26 0.00 -0.26 0.00 0.00 64.21 64.55 2f9i n SER 130 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2f9i h ARG 131 N 0.00 0.08 -5.26 4.33 3.08 -1.94 -3.12 114.38 111.55 2f9i h ARG 131 Ca 0.00 -0.04 -0.66 0.00 0.07 0.00 0.00 59.98 59.35 2f9i h ARG 131 Cb 0.06 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 29.95 2f9i h ARG 131 CO 0.00 0.52 0.14 0.12 -1.07 0.00 0.00 179.97 179.69 2f9i s PHE 132 N -4.01 3.02 -1.69 3.04 5.36 -0.91 -4.30 117.98 118.48 2f9i s PHE 132 Ca -0.03 -0.27 -0.16 0.00 -0.96 0.00 0.00 56.93 55.51 2f9i s PHE 132 Cb 0.14 -3.52 0.15 0.00 -0.34 0.00 0.00 43.02 39.44 2f9i s PHE 132 CO 0.75 -1.00 0.69 0.54 -1.46 0.00 0.00 175.22 174.73 2f9i n ARG 133 N 6.37 -2.73 -1.19 10.12 5.12 -1.26 -0.15 116.66 132.94 2f9i n ARG 133 Ca -0.03 0.33 -0.07 0.00 -1.93 0.00 0.00 57.85 56.15 2f9i n ARG 133 Cb 0.47 -4.91 -0.03 0.00 -1.16 0.00 0.00 32.46 26.82 2f9i n ARG 133 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2f9i n MET 134 N -4.35 -1.47 -1.39 5.56 2.81 -1.18 -1.55 117.12 115.55 2f9i n MET 134 Ca 0.02 0.68 -0.13 0.00 -1.81 0.00 0.00 57.70 56.45 2f9i n MET 134 Cb 0.52 -4.91 -0.06 0.00 -0.71 0.00 0.00 33.22 28.06 2f9i n MET 134 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2f9i n GLY 135 N -0.16 1.41 3.77 3.03 0.00 0.79 -0.22 105.19 113.81 2f9i n GLY 135 Ca -0.07 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 2f9i n GLY 135 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2f9i s SER 136 N -2.80 6.66 -0.35 1.61 1.04 -0.60 -4.36 113.70 114.91 2f9i s SER 136 Ca 0.00 2.74 -0.20 0.00 0.48 0.00 0.00 55.95 58.97 2f9i s SER 136 Cb 0.00 -2.65 -0.00 0.00 0.10 0.00 0.00 66.02 63.47 2f9i s SER 136 CO 0.00 -0.62 0.59 -0.32 0.98 0.00 0.00 173.24 173.88 2f9i s MET 137 N -1.89 3.67 0.00 4.02 1.75 -1.26 -4.74 119.30 120.85 2f9i s MET 137 Ca 0.50 -0.01 0.00 0.00 -1.25 0.00 0.00 55.69 54.94 2f9i s MET 137 Cb -0.41 -3.80 0.00 0.00 2.84 0.00 0.00 34.83 33.46 2f9i s MET 137 CO 0.54 -0.70 0.00 0.41 -0.65 0.00 0.00 175.02 174.62 2f9i n GLY 138 N 4.70 5.04 0.33 2.11 0.00 -1.26 -4.27 105.19 111.84 2f9i n GLY 138 Ca -0.02 -2.08 -0.02 0.00 0.00 0.00 0.00 46.02 43.90 2f9i n GLY 138 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2f9i h SER 139 N 0.00 0.96 -0.01 1.61 0.02 -1.94 -2.13 113.55 112.07 2f9i h SER 139 Ca 0.00 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2f9i h SER 139 Cb 0.00 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 2f9i h SER 139 CO 0.00 0.67 0.01 0.58 -1.14 0.00 0.00 176.83 176.95 2f9i h VAL 140 N 1.13 1.08 -0.66 2.27 2.07 -1.96 0.38 116.25 120.55 2f9i h VAL 140 Ca 0.34 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.67 2f9i h VAL 140 Cb -0.03 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 2f9i h VAL 140 CO -0.11 0.06 0.41 0.40 0.02 0.00 0.00 177.57 178.35 2f9i h ILE 141 N -0.07 1.08 -0.22 4.57 2.04 -1.92 0.83 117.51 123.81 2f9i h ILE 141 Ca 0.00 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2f9i h ILE 141 Cb 0.09 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2f9i h ILE 141 CO -0.00 0.15 0.10 1.23 0.00 0.00 0.00 178.15 179.62 2f9i h GLY 142 N 0.80 0.35 1.01 5.37 0.00 -1.19 -0.71 103.07 108.70 2f9i h GLY 142 Ca 0.27 -0.19 -0.12 0.00 0.00 0.00 0.00 47.33 47.29 2f9i h GLY 142 CO -0.11 0.18 -0.25 -2.09 0.00 0.00 0.00 176.54 174.27 2f9i h GLU 143 N 0.22 0.79 -0.63 4.80 4.57 -0.57 -1.61 114.58 122.15 2f9i h GLU 143 Ca 0.08 -0.38 -0.05 0.00 -1.18 0.00 0.00 59.36 57.83 2f9i h GLU 143 Cb 0.16 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 2f9i h GLU 143 CO -0.01 1.01 0.21 0.87 -1.18 0.00 0.00 179.01 179.92 2f9i h LYS 144 N 0.57 0.96 -0.28 1.92 1.57 -0.72 0.19 116.57 120.79 2f9i h LYS 144 Ca 0.07 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2f9i h LYS 144 Cb 0.82 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2f9i h LYS 144 CO 0.07 0.84 0.13 0.82 -0.57 0.00 0.00 179.45 180.73 2f9i h ILE 145 N 0.89 1.15 -0.60 1.86 2.04 -1.06 -2.59 117.51 119.19 2f9i h ILE 145 Ca 0.20 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 2f9i h ILE 145 Cb 0.26 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 2f9i h ILE 145 CO -0.01 0.16 0.31 0.00 0.00 0.00 0.00 178.15 178.61 2f9i h ARG 147 N 0.82 0.46 -0.49 0.00 3.08 -0.87 0.11 114.38 117.49 2f9i h ARG 147 Ca 0.21 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 2f9i h ARG 147 Cb 0.08 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2f9i h ARG 147 CO -0.03 0.31 0.07 0.97 -1.07 0.00 0.00 179.97 180.21 2f9i h ILE 148 N 0.48 1.25 -0.03 2.04 6.09 -1.35 -1.07 117.51 124.92 2f9i h ILE 148 Ca 0.16 -0.95 0.02 0.00 -1.37 0.00 0.00 64.86 62.72 2f9i h ILE 148 Cb 0.02 0.91 -0.02 0.00 0.47 0.00 0.00 36.82 38.20 2f9i h ILE 148 CO -0.08 0.34 -0.08 0.40 -3.07 0.00 0.00 178.15 175.66 2f9i h ILE 149 N 0.70 0.79 -0.91 2.19 2.04 -1.04 -0.31 117.51 120.97 2f9i h ILE 149 Ca 0.15 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 2f9i h ILE 149 Cb 0.41 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 2f9i h ILE 149 CO 0.01 0.00 0.55 0.44 0.00 0.00 0.00 178.15 179.15 2f9i h ASP 150 N -0.12 1.09 -0.38 1.72 3.32 -0.73 -0.91 116.42 120.40 2f9i h ASP 150 Ca 0.04 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.06 2f9i h ASP 150 Cb 0.17 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 2f9i h ASP 150 CO -0.10 0.83 0.17 0.22 -1.72 0.00 0.00 179.24 178.64 2f9i h TYR 151 N 1.25 0.31 -0.88 4.55 3.20 -0.77 -1.56 116.97 123.07 2f9i h TYR 151 Ca 0.33 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.25 2f9i h TYR 151 Cb -0.06 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.08 2f9i h TYR 151 CO 0.01 0.15 0.58 0.00 -1.64 0.00 0.00 178.16 177.25 2f9i h THR 153 N 1.08 1.20 -0.02 0.00 2.02 -0.77 0.36 112.91 116.78 2f9i h THR 153 Ca 0.35 -0.59 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 2f9i h THR 153 Cb 0.05 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2f9i h THR 153 CO -0.11 0.16 -0.25 -0.33 0.37 0.00 0.00 175.52 175.36 2f9i h GLU 154 N -0.17 0.03 -0.49 6.66 5.08 -0.97 -2.84 114.58 121.88 2f9i h GLU 154 Ca 0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2f9i h GLU 154 Cb 0.25 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2f9i h GLU 154 CO 0.00 0.28 0.00 0.09 -1.00 0.00 0.00 179.01 178.38 2f9i n ASN 155 N -4.23 3.40 -3.73 1.42 4.13 -0.40 -5.00 115.26 110.85 2f9i n ASN 155 Ca -0.02 -2.05 -0.23 0.00 1.68 0.00 0.00 54.58 53.95 2f9i n ASN 155 Cb 0.31 -0.35 0.02 0.00 -1.54 0.00 0.00 39.78 38.23 2f9i n ASN 155 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2f9i n ARG 156 N 0.90 -3.94 -4.26 3.52 1.74 0.66 -4.99 116.66 110.29 2f9i n ARG 156 Ca 0.17 0.56 -0.31 0.00 -0.77 0.00 0.00 57.85 57.50 2f9i n ARG 156 Cb 0.53 -4.92 -0.09 0.00 -1.02 0.00 0.00 32.46 26.96 2f9i n ARG 156 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2f9i s LEU 157 N -6.66 3.27 0.93 0.55 1.43 0.95 -5.03 118.68 114.13 2f9i s LEU 157 Ca 0.08 -0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 2f9i s LEU 157 Cb -0.03 -1.98 0.15 0.00 0.03 0.00 0.00 46.19 44.36 2f9i s LEU 157 CO 0.83 0.21 1.11 -2.16 0.23 0.00 0.00 176.35 176.57 2f9i s PRO 158 N -1.99 0.96 -0.06 1.29 0.04 -1.26 -4.61 135.00 129.38 2f9i s PRO 158 Ca 0.22 0.48 -0.04 0.00 0.04 0.00 0.00 61.00 61.70 2f9i s PRO 158 Cb -0.11 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.64 2f9i s PRO 158 CO 0.14 -2.36 0.14 0.12 0.04 0.00 0.00 177.00 175.08 2f9i s PHE 159 N -3.10 -0.16 -0.06 0.56 5.36 -0.43 -0.76 117.98 119.39 2f9i s PHE 159 Ca 0.64 0.40 0.03 0.00 -0.96 0.00 0.00 56.93 57.04 2f9i s PHE 159 Cb -0.17 0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.54 2f9i s PHE 159 CO 0.56 -0.10 -0.16 0.42 -1.46 0.00 0.00 175.22 174.48 2f9i s ILE 160 N 0.34 1.38 -0.11 3.12 1.01 -0.22 -0.78 121.20 125.93 2f9i s ILE 160 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.98 2f9i s ILE 160 Cb -0.03 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.25 2f9i s ILE 160 CO -0.01 0.40 -0.09 -0.22 0.00 0.00 0.00 174.94 175.02 2f9i s LEU 161 N 0.35 1.31 -0.50 2.97 0.20 -0.56 -1.87 118.68 120.59 2f9i s LEU 161 Ca -0.11 -0.32 -0.20 0.00 0.69 0.00 0.00 54.13 54.20 2f9i s LEU 161 Cb -0.14 -0.86 0.05 0.00 -0.43 0.00 0.00 46.19 44.80 2f9i s LEU 161 CO 0.04 -0.09 0.64 -0.36 -0.29 0.00 0.00 176.35 176.30 2f9i s PHE 162 N 1.49 3.04 0.20 5.38 0.08 0.59 -0.75 117.98 128.00 2f9i s PHE 162 Ca 0.01 -0.42 -0.23 0.00 0.12 0.00 0.00 56.93 56.42 2f9i s PHE 162 Cb -0.13 -3.52 -0.08 0.00 -0.57 0.00 0.00 43.02 38.71 2f9i s PHE 162 CO -0.06 -1.02 0.76 -1.12 -0.10 0.00 0.00 175.22 173.68 2f9i s SER 163 N 2.56 7.24 -0.30 1.36 0.01 -0.75 -1.39 113.70 122.43 2f9i s SER 163 Ca 0.17 1.56 -0.01 0.00 1.31 0.00 0.00 55.95 58.98 2f9i s SER 163 Cb -0.18 -2.47 0.19 0.00 0.21 0.00 0.00 66.02 63.77 2f9i s SER 163 CO 0.14 0.12 0.60 0.00 0.41 0.00 0.00 173.24 174.51 2f9i s ALA 164 N -1.33 -2.26 -0.25 1.44 0.00 -1.26 -0.98 121.76 117.12 2f9i s ALA 164 Ca 0.39 1.85 -0.12 0.00 0.00 0.00 0.00 51.96 54.08 2f9i s ALA 164 Cb -0.20 -2.17 0.09 0.00 0.00 0.00 0.00 23.12 20.84 2f9i s ALA 164 CO 0.24 -1.33 0.58 0.45 0.00 0.00 0.00 175.76 175.70 2f9i s SER 165 N 2.86 -0.81 0.00 0.00 0.15 0.89 -4.40 113.70 112.40 2f9i s SER 165 Ca 0.21 1.32 0.08 0.00 0.70 0.00 0.00 55.95 58.26 2f9i s SER 165 Cb -0.15 1.44 0.21 0.00 -1.71 0.00 0.00 66.02 65.82 2f9i s SER 165 CO -0.21 -0.22 1.15 0.61 1.20 0.00 0.00 173.24 175.76 2f9i n GLY 166 N 4.69 2.45 0.00 9.45 0.00 0.69 -1.36 105.19 121.11 2f9i n GLY 166 Ca -0.18 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2f9i n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f9i n GLY 167 N 0.29 -1.37 3.84 -0.02 0.00 -1.26 -4.98 105.19 101.70 2f9i n GLY 167 Ca 0.08 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 2f9i n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f9i s ALA 168 N -1.44 3.49 -1.35 4.61 0.00 -1.26 -4.16 121.76 121.66 2f9i s ALA 168 Ca 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 51.96 51.77 2f9i s ALA 168 Cb 0.00 -2.62 0.10 0.00 0.00 0.00 0.00 23.12 20.60 2f9i s ALA 168 CO 0.00 0.41 1.94 -2.13 0.00 0.00 0.00 175.76 175.98 2f9i n ARG 169 N 0.42 3.21 0.26 0.00 3.00 -1.26 -4.79 116.66 117.49 2f9i n ARG 169 Ca -0.02 -3.15 0.12 0.00 -0.00 0.00 0.00 57.85 54.80 2f9i n ARG 169 Cb 0.52 -3.19 0.70 0.00 0.00 0.00 0.00 32.46 30.49 2f9i n ARG 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2f9i h MET 170 N 6.34 0.00 0.00 -0.14 -0.00 -1.93 -2.10 114.93 117.10 2f9i h MET 170 Ca 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 60.17 2f9i h MET 170 Cb 0.71 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.31 2f9i h MET 170 CO 1.66 0.13 -0.00 1.96 -0.00 0.00 0.00 176.91 180.65 2f9i h GLN 171 N 0.00 0.00 -0.31 -0.10 7.50 -2.01 0.49 115.11 120.68 2f9i h GLN 171 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2f9i h GLN 171 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.91 2f9i h GLN 171 CO 0.02 0.00 0.00 0.39 -1.50 0.00 0.00 178.83 177.74 2f9i n GLU 172 N -3.21 2.22 0.00 1.46 1.02 -0.79 -4.62 120.64 116.71 2f9i n GLU 172 Ca -0.03 -1.95 0.00 0.00 -0.02 0.00 0.00 57.16 55.17 2f9i n GLU 172 Cb 0.09 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 2f9i n GLU 172 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f9i n GLY 173 N 0.86 2.86 0.32 0.62 0.00 0.16 -1.01 105.19 109.01 2f9i n GLY 173 Ca 0.13 0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.37 2f9i n GLY 173 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2f9i h ILE 174 N 0.00 0.61 -0.40 -0.61 6.09 -1.93 -1.97 117.51 119.30 2f9i h ILE 174 Ca 0.00 0.00 -0.13 0.00 -1.37 0.00 0.00 64.86 63.36 2f9i h ILE 174 Cb 0.00 0.88 -0.01 0.00 0.47 0.00 0.00 36.82 38.16 2f9i h ILE 174 CO 0.00 0.00 -0.27 0.40 -3.07 0.00 0.00 178.15 175.21 2f9i h ILE 175 N 0.00 1.27 -0.29 2.19 2.04 -1.47 -1.85 117.51 119.41 2f9i h ILE 175 Ca 0.08 -1.42 -0.12 0.00 1.00 0.00 0.00 64.86 64.40 2f9i h ILE 175 Cb 0.39 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2f9i h ILE 175 CO -0.00 0.48 -0.33 0.77 0.00 0.00 0.00 178.15 179.07 2f9i h SER 176 N 0.73 0.65 -0.21 1.72 4.64 -1.26 -2.90 113.55 116.92 2f9i h SER 176 Ca 0.09 -0.26 0.02 0.00 -0.47 0.00 0.00 61.79 61.17 2f9i h SER 176 Cb 0.82 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 2f9i h SER 176 CO 0.07 0.93 0.07 0.25 -0.87 0.00 0.00 176.83 177.28 2f9i h LEU 177 N 0.53 0.08 -2.93 5.97 5.85 -1.37 -1.98 115.31 121.47 2f9i h LEU 177 Ca 0.06 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2f9i h LEU 177 Cb 0.82 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 2f9i h LEU 177 CO 0.07 0.08 -0.00 0.24 -0.34 0.00 0.00 178.44 178.49 2f9i h MET 178 N 0.17 0.00 0.00 1.25 2.86 -1.22 -1.85 114.93 116.14 2f9i h MET 178 Ca 0.09 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2f9i h MET 178 Cb 0.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 2f9i h MET 178 CO -0.09 0.00 -0.10 1.96 1.06 0.00 0.00 176.91 179.74 2f9i h GLN 179 N 0.00 0.00 -0.76 1.72 1.08 -1.15 -0.08 115.11 115.91 2f9i h GLN 179 Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2f9i h GLN 179 Cb 0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 2f9i h GLN 179 CO 0.00 0.10 0.43 0.52 -0.95 0.00 0.00 178.83 178.94 2f9i h MET 180 N 0.00 1.05 -0.07 1.46 2.86 -1.47 -1.00 114.93 117.76 2f9i h MET 180 Ca -0.00 -0.11 -0.15 0.00 -2.06 0.00 0.00 59.70 57.38 2f9i h MET 180 Cb 0.26 -0.21 0.01 0.00 0.06 0.00 0.00 31.60 31.71 2f9i h MET 180 CO 0.01 0.77 -0.55 0.78 1.06 0.00 0.00 176.91 178.98 2f9i h GLY 181 N 1.05 0.54 0.46 8.32 0.00 -1.42 -2.81 103.07 109.21 2f9i h GLY 181 Ca 0.27 -0.82 0.02 0.00 0.00 0.00 0.00 47.33 46.80 2f9i h GLY 181 CO -0.05 0.73 -0.29 1.70 0.00 0.00 0.00 176.54 178.63 2f9i h LYS 182 N 0.05 -0.48 -0.49 4.80 3.64 -0.97 -1.59 116.57 121.53 2f9i h LYS 182 Ca -0.05 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 2f9i h LYS 182 Cb 1.21 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 2f9i h LYS 182 CO 0.11 -0.32 0.10 1.79 -2.27 0.00 0.00 179.45 178.86 2f9i h THR 183 N -0.50 1.22 -0.62 1.00 1.35 -1.29 -3.08 112.91 110.99 2f9i h THR 183 Ca 0.04 -0.79 -0.03 0.00 -0.55 0.00 0.00 66.41 65.07 2f9i h THR 183 Cb 0.54 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 2f9i h THR 183 CO -0.18 0.29 0.27 0.28 -0.25 0.00 0.00 175.52 175.92 2f9i h SER 184 N 0.73 0.83 -0.68 5.36 0.02 -1.19 -0.59 113.55 118.04 2f9i h SER 184 Ca 0.16 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2f9i h SER 184 Cb 0.29 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 2f9i h SER 184 CO 0.00 0.76 0.37 -0.37 -1.14 0.00 0.00 176.83 176.45 2f9i h VAL 185 N 0.86 1.21 -0.43 2.27 -1.51 -1.21 0.16 116.25 117.60 2f9i h VAL 185 Ca 0.21 -0.53 -0.02 0.00 -1.23 0.00 0.00 66.70 65.14 2f9i h VAL 185 Cb 0.17 0.32 -0.02 0.00 -2.13 0.00 0.00 31.29 29.64 2f9i h VAL 185 CO -0.02 0.23 0.21 0.28 -1.23 0.00 0.00 177.57 177.04 2f9i h SER 186 N 0.93 0.56 -0.63 4.19 0.02 -1.53 -2.28 113.55 114.81 2f9i h SER 186 Ca 0.24 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2f9i h SER 186 Cb 0.04 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 2f9i h SER 186 CO -0.04 0.53 0.29 0.25 -1.14 0.00 0.00 176.83 176.72 2f9i h LEU 187 N 0.55 0.84 -0.69 5.07 5.85 -0.63 -1.68 115.31 124.62 2f9i h LEU 187 Ca 0.15 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 2f9i h LEU 187 Cb 0.12 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2f9i h LEU 187 CO -0.02 0.75 -0.41 0.50 -0.34 0.00 0.00 178.44 178.93 2f9i h LYS 188 N 0.87 0.54 -0.79 1.25 1.63 -0.54 -0.71 116.57 118.82 2f9i h LYS 188 Ca 0.21 -0.27 -0.05 0.00 -0.85 0.00 0.00 60.65 59.69 2f9i h LYS 188 Cb 0.15 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 2f9i h LYS 188 CO -0.02 0.85 0.30 -0.09 -3.45 0.00 0.00 179.45 177.04 2f9i h ARG 189 N 0.44 1.19 -0.33 1.90 2.43 -1.22 0.19 114.38 118.98 2f9i h ARG 189 Ca 0.04 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2f9i h ARG 189 Cb 0.90 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 2f9i h ARG 189 CO 0.08 0.97 0.18 1.25 -1.51 0.00 0.00 179.97 180.94 2f9i h HIS 190 N 1.15 0.44 -0.78 2.20 2.76 -1.00 -1.61 115.15 118.32 2f9i h HIS 190 Ca 0.26 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.39 2f9i h HIS 190 Cb 0.24 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.02 2f9i h HIS 190 CO 0.02 0.34 0.36 1.03 -1.30 0.00 0.00 177.93 178.39 2f9i h SER 191 N 0.41 1.03 1.05 3.26 0.87 -0.90 -2.81 113.55 116.46 2f9i h SER 191 Ca 0.12 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2f9i h SER 191 Cb 0.04 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 2f9i h SER 191 CO -0.02 0.89 0.00 0.44 -0.53 0.00 0.00 176.83 177.61 2f9i h ASP 192 N 1.11 0.00 0.40 6.23 3.32 -0.34 -0.82 116.42 126.32 2f9i h ASP 192 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2f9i h ASP 192 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2f9i h ASP 192 CO -0.03 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.49 2f9i n ALA 193 N -1.94 2.48 -0.64 3.45 0.00 -0.63 -4.90 120.51 118.33 2f9i n ALA 193 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2f9i n ALA 193 Cb 0.31 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2f9i n ALA 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f9i n GLY 194 N 1.09 0.62 3.88 0.00 0.00 -0.31 -5.06 105.19 105.40 2f9i n GLY 194 Ca 0.16 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 2f9i n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f9i s LEU 195 N 0.00 4.12 0.11 0.99 1.43 -1.14 -5.06 118.68 119.14 2f9i s LEU 195 Ca 0.00 0.08 -0.26 0.00 -1.03 0.00 0.00 54.13 52.92 2f9i s LEU 195 Cb 0.00 -2.72 -0.07 0.00 0.03 0.00 0.00 46.19 43.43 2f9i s LEU 195 CO 0.00 0.09 0.79 -0.22 0.23 0.00 0.00 176.35 177.24 2f9i s LEU 196 N -2.97 4.53 -0.13 1.79 2.96 -1.26 -4.42 118.68 119.17 2f9i s LEU 196 Ca 0.33 1.58 -0.00 0.00 -0.22 0.00 0.00 54.13 55.82 2f9i s LEU 196 Cb -0.11 -3.30 0.03 0.00 0.50 0.00 0.00 46.19 43.31 2f9i s LEU 196 CO 0.26 0.11 -0.09 -0.47 -1.32 0.00 0.00 176.35 174.84 2f9i s TYR 197 N -0.60 1.70 -0.27 5.38 5.04 -1.26 -1.32 117.35 126.02 2f9i s TYR 197 Ca 0.38 -0.92 -0.09 0.00 -2.44 0.00 0.00 57.07 54.00 2f9i s TYR 197 Cb -0.22 -1.34 -0.03 0.00 0.35 0.00 0.00 41.96 40.72 2f9i s TYR 197 CO 0.25 -0.57 0.12 0.42 -1.34 0.00 0.00 175.55 174.43 2f9i s ILE 198 N 1.64 4.61 -0.28 3.14 1.01 0.04 -0.55 121.20 130.81 2f9i s ILE 198 Ca 0.04 -0.15 -0.14 0.00 0.00 0.00 0.00 60.65 60.40 2f9i s ILE 198 Cb -0.13 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 2f9i s ILE 198 CO -0.09 0.25 0.31 -0.55 0.00 0.00 0.00 174.94 174.87 2f9i s SER 199 N 1.65 6.17 -0.49 3.58 0.15 -0.73 -1.49 113.70 122.54 2f9i s SER 199 Ca 0.06 0.16 -0.02 0.00 0.70 0.00 0.00 55.95 56.85 2f9i s SER 199 Cb -0.16 -2.18 0.13 0.00 -1.71 0.00 0.00 66.02 62.10 2f9i s SER 199 CO 0.06 -0.15 0.29 -0.47 1.20 0.00 0.00 173.24 174.17 2f9i s TYR 200 N 1.96 3.51 -0.12 3.44 5.04 0.07 -0.30 117.35 130.96 2f9i s TYR 200 Ca 0.12 -2.58 -0.26 0.00 -2.44 0.00 0.00 57.07 51.92 2f9i s TYR 200 Cb -0.16 -3.19 -0.02 0.00 0.35 0.00 0.00 41.96 38.94 2f9i s TYR 200 CO 0.10 -0.92 0.84 -0.51 -1.34 0.00 0.00 175.55 173.73 2f9i s LEU 201 N 0.64 4.24 0.37 6.97 1.02 0.90 -1.82 118.68 131.00 2f9i s LEU 201 Ca 0.12 1.28 0.08 0.00 0.02 0.00 0.00 54.13 55.63 2f9i s LEU 201 Cb -0.22 -3.28 -0.05 0.00 0.02 0.00 0.00 46.19 42.66 2f9i s LEU 201 CO -0.04 -0.32 0.07 0.42 0.02 0.00 0.00 176.35 176.50 2f9i s THR 202 N 1.69 2.51 -0.02 5.49 -4.23 -0.15 -3.75 115.64 117.18 2f9i s THR 202 Ca 0.41 -1.87 -0.30 0.00 -1.18 0.00 0.00 61.69 58.75 2f9i s THR 202 Cb -0.18 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.74 2f9i s THR 202 CO 0.16 -0.12 1.11 -2.28 -0.54 0.00 0.00 174.62 172.95 2f9i s HIS 203 N -2.55 3.43 0.27 3.99 2.46 -1.26 -2.95 115.29 118.67 2f9i s HIS 203 Ca 0.37 1.42 0.03 0.00 0.47 0.00 0.00 55.06 57.35 2f9i s HIS 203 Cb 0.02 -3.31 -0.03 0.00 -0.13 0.00 0.00 32.58 29.13 2f9i s HIS 203 CO 0.20 -0.80 0.42 -1.25 -2.47 0.00 0.00 174.74 170.84 2f9i s PRO 204 N 1.58 3.46 -0.33 2.88 0.04 -1.26 -4.89 135.00 136.47 2f9i s PRO 204 Ca 0.54 -0.61 0.00 0.00 0.04 0.00 0.00 61.00 60.98 2f9i s PRO 204 Cb -0.24 -2.82 0.10 0.00 0.04 0.00 0.00 34.50 31.59 2f9i s PRO 204 CO 0.25 0.34 0.10 0.99 0.04 0.00 0.00 177.00 178.72 2f9i s THR 205 N -2.08 1.15 0.40 1.26 2.01 -0.41 -0.07 115.64 117.90 2f9i s THR 205 Ca 0.36 -1.67 0.03 0.00 0.31 0.00 0.00 61.69 60.73 2f9i s THR 205 Cb -0.09 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 2f9i s THR 205 CO 0.31 -0.69 0.09 0.42 -0.69 0.00 0.00 174.62 174.06 2f9i s THR 206 N 1.37 0.89 0.00 -0.82 -4.23 -0.46 -1.42 115.64 110.98 2f9i s THR 206 Ca 0.11 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 2f9i s THR 206 Cb -0.18 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.18 2f9i s THR 206 CO -0.20 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 2f9i n GLY 207 N -0.89 2.41 0.34 3.99 0.00 -0.85 -2.70 105.19 107.48 2f9i n GLY 207 Ca -0.07 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.63 2f9i n GLY 207 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2f9i h GLY 208 N 0.00 0.65 0.73 -0.02 0.00 -1.90 0.64 103.07 103.17 2f9i h GLY 208 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 2f9i h GLY 208 CO 0.00 0.16 -0.06 -2.08 0.00 0.00 0.00 176.54 174.57 2f9i h VAL 209 N 0.53 1.31 -0.98 4.60 2.07 -1.93 -1.67 116.25 120.18 2f9i h VAL 209 Ca 0.24 -1.07 0.09 0.00 0.82 0.00 0.00 66.70 66.78 2f9i h VAL 209 Cb 0.27 1.75 -0.08 0.00 -1.52 0.00 0.00 31.29 31.71 2f9i h VAL 209 CO -0.07 0.31 0.62 -1.28 0.02 0.00 0.00 177.57 177.17 2f9i h SER 210 N -0.07 0.95 -0.32 0.57 0.87 -1.16 -2.26 113.55 112.13 2f9i h SER 210 Ca 0.03 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2f9i h SER 210 Cb 0.51 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2f9i h SER 210 CO 0.02 0.55 0.00 0.00 -0.53 0.00 0.00 176.83 176.87 2f9i n ALA 211 N -2.36 2.93 -2.17 6.23 0.00 0.15 -3.59 120.51 121.70 2f9i n ALA 211 Ca 0.17 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2f9i n ALA 211 Cb 0.27 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2f9i n ALA 211 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2f9i n SER 212 N 0.42 0.00 0.27 0.00 3.41 -0.65 -4.99 113.62 112.09 2f9i n SER 212 Ca 0.14 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.91 2f9i n SER 212 Cb 0.58 0.00 0.90 0.00 -0.26 0.00 0.00 64.21 65.43 2f9i n SER 212 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 2f9i h PHE 213 N 0.00 0.00 -0.00 7.33 -5.15 -1.83 -2.55 116.94 114.74 2f9i h PHE 213 Ca 0.00 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.69 2f9i h PHE 213 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.16 2f9i h PHE 213 CO 0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 178.31 175.95 2f9i h ALA 214 N 1.92 1.41 -0.17 12.09 0.00 -1.71 -3.10 119.26 129.71 2f9i h ALA 214 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2f9i h ALA 214 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2f9i h ALA 214 CO -0.00 0.45 0.00 0.43 0.00 0.00 0.00 179.25 180.13 2f9i n SER 215 N -4.11 2.72 -2.09 0.00 7.64 -0.96 -4.50 113.62 112.32 2f9i n SER 215 Ca -0.02 -1.88 -0.13 0.00 1.01 0.00 0.00 58.87 57.85 2f9i n SER 215 Cb 0.40 -0.10 0.05 0.00 -1.01 0.00 0.00 64.21 63.54 2f9i n SER 215 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2f9i n VAL 216 N 1.06 2.04 -1.74 0.44 0.24 -1.17 -5.05 118.33 114.14 2f9i n VAL 216 Ca 0.17 -3.62 -0.33 0.00 -2.04 0.00 0.00 64.34 58.51 2f9i n VAL 216 Cb 0.52 -0.28 0.05 0.00 -1.47 0.00 0.00 33.84 32.67 2f9i n VAL 216 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2f9i s GLY 217 N -3.55 2.24 0.29 7.63 0.00 -1.26 -4.91 107.32 107.75 2f9i s GLY 217 Ca 0.42 0.64 0.01 0.00 0.00 0.00 0.00 44.72 45.79 2f9i s GLY 217 CO -0.00 1.00 1.88 -0.55 0.00 0.00 0.00 173.10 175.43 2f9i h ASP 218 N 0.08 0.93 -3.38 1.64 3.32 -1.22 -3.40 116.42 114.40 2f9i h ASP 218 Ca -0.47 0.02 -0.49 0.00 0.02 0.00 0.00 57.03 56.11 2f9i h ASP 218 Cb 1.26 -0.17 -0.34 0.00 0.22 0.00 0.00 39.33 40.29 2f9i h ASP 218 CO 0.53 0.56 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.18 2f9i s ILE 219 N -5.94 0.93 -0.20 0.35 1.01 -1.21 -5.06 121.20 111.08 2f9i s ILE 219 Ca -0.12 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 2f9i s ILE 219 Cb 0.21 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 2f9i s ILE 219 CO 0.81 0.32 0.04 0.20 0.00 0.00 0.00 174.94 176.31 2f9i s ASN 220 N 0.98 5.21 0.11 3.58 0.01 -1.26 -1.78 114.94 121.79 2f9i s ASN 220 Ca -0.09 -0.09 0.09 0.00 -0.71 0.00 0.00 52.86 52.06 2f9i s ASN 220 Cb -0.15 -1.90 -0.04 0.00 0.41 0.00 0.00 41.25 39.58 2f9i s ASN 220 CO 0.00 0.09 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.69 2f9i s LEU 221 N 0.88 2.30 0.00 0.60 1.43 0.59 -0.55 118.68 123.93 2f9i s LEU 221 Ca 0.03 -0.71 0.02 0.00 -1.03 0.00 0.00 54.13 52.44 2f9i s LEU 221 Cb -0.14 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 2f9i s LEU 221 CO 0.02 0.11 0.18 -0.24 0.23 0.00 0.00 176.35 176.65 2f9i n SER 222 N 1.04 -0.49 -4.45 2.29 2.88 -1.00 -0.07 113.62 113.82 2f9i n SER 222 Ca -0.19 -2.07 -0.29 0.00 -1.33 0.00 0.00 58.87 54.99 2f9i n SER 222 Cb 0.53 1.02 -0.12 0.00 -0.75 0.00 0.00 64.21 64.90 2f9i n SER 222 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2f9i s GLU 223 N -2.59 1.63 0.12 -1.46 2.02 -1.25 -0.06 118.70 117.11 2f9i s GLU 223 Ca 0.18 -1.29 -0.35 0.00 0.02 0.00 0.00 54.97 53.53 2f9i s GLU 223 Cb 0.00 -2.01 -0.16 0.00 0.10 0.00 0.00 34.13 32.07 2f9i s GLU 223 CO 0.13 0.46 1.27 -2.30 0.02 0.00 0.00 175.26 174.84 2f9i n PRO 224 N 0.72 1.16 -0.67 0.39 -0.02 -1.26 -1.66 135.00 133.66 2f9i n PRO 224 Ca -0.16 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2f9i n PRO 224 Cb 0.53 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 2f9i n PRO 224 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2f9i n LYS 225 N 2.22 0.00 -1.69 -0.52 4.76 -1.26 -4.74 118.16 116.92 2f9i n LYS 225 Ca 0.17 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.19 2f9i n LYS 225 Cb 0.21 -3.48 -0.00 0.00 -1.84 0.00 0.00 35.03 29.92 2f9i n LYS 225 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2f9i n ALA 226 N 0.96 1.15 -2.67 7.82 0.00 -0.66 -4.57 120.51 122.53 2f9i n ALA 226 Ca 0.00 0.33 -0.37 0.00 0.00 0.00 0.00 53.44 53.40 2f9i n ALA 226 Cb 0.00 -2.23 -0.08 0.00 0.00 0.00 0.00 19.45 17.13 2f9i n ALA 226 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2f9i s LEU 227 N -1.05 4.15 -0.04 0.00 1.43 -1.26 -0.22 118.68 121.69 2f9i s LEU 227 Ca 0.57 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 2f9i s LEU 227 Cb -0.56 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.36 2f9i s LEU 227 CO 0.61 0.00 -0.04 -0.63 0.23 0.00 0.00 176.35 176.52 2f9i s ILE 228 N 1.11 0.51 0.00 -0.59 1.01 0.03 -1.29 121.20 121.98 2f9i s ILE 228 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2f9i s ILE 228 Cb -0.14 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.80 2f9i s ILE 228 CO 0.06 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.82 2f9i n GLY 229 N 4.00 0.24 0.10 6.18 0.00 -0.51 -4.72 105.19 110.49 2f9i n GLY 229 Ca -0.25 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 2f9i n GLY 229 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2f9i h PHE 230 N 0.00 -0.11 -2.86 1.61 3.57 -1.87 -2.27 116.94 115.01 2f9i h PHE 230 Ca 0.00 -0.00 -0.61 0.00 3.53 0.00 0.00 57.97 60.89 2f9i h PHE 230 Cb 0.00 0.04 -0.12 0.00 2.79 0.00 0.00 35.95 38.66 2f9i h PHE 230 CO 0.00 0.36 -0.68 0.00 -2.23 0.00 0.00 178.31 175.77 2f9i s ALA 231 N -3.06 3.12 0.65 2.41 0.00 -1.26 -2.01 121.76 121.62 2f9i s ALA 231 Ca -0.11 -1.42 -0.13 0.00 0.00 0.00 0.00 51.96 50.30 2f9i s ALA 231 Cb -0.01 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 2f9i s ALA 231 CO 0.41 0.46 1.06 0.20 0.00 0.00 0.00 175.76 177.89 2f9i s GLY 232 N -2.96 1.86 0.18 0.00 0.00 -1.26 -4.88 107.32 100.26 2f9i s GLY 232 Ca 0.27 0.22 -0.14 0.00 0.00 0.00 0.00 44.72 45.07 2f9i s GLY 232 CO 0.18 0.53 1.70 -0.09 0.00 0.00 0.00 173.10 175.42 2f9i h ARG 233 N -0.23 0.17 0.02 2.90 2.43 -1.99 -1.82 114.38 115.86 2f9i h ARG 233 Ca -0.45 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.72 2f9i h ARG 233 Cb 1.21 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2f9i h ARG 233 CO 0.57 0.11 -0.06 -0.09 -1.51 0.00 0.00 179.97 178.99 2f9i h ARG 234 N 0.17 -0.11 -0.85 0.20 2.43 -1.99 0.30 114.38 114.53 2f9i h ARG 234 Ca 0.24 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 2f9i h ARG 234 Cb 0.33 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 2f9i h ARG 234 CO -0.35 -0.07 0.41 -0.24 -1.51 0.00 0.00 179.97 178.21 2f9i h VAL 235 N -0.11 1.26 -0.23 0.20 3.04 -1.89 -1.42 116.25 117.09 2f9i h VAL 235 Ca 0.02 -0.73 -0.04 0.00 -1.01 0.00 0.00 66.70 64.94 2f9i h VAL 235 Cb 0.13 0.16 -0.01 0.00 -2.01 0.00 0.00 31.29 29.57 2f9i h VAL 235 CO -0.04 0.31 -0.02 0.40 -1.01 0.00 0.00 177.57 177.21 2f9i h ILE 236 N 1.22 1.26 -0.71 3.17 2.04 -1.11 -0.90 117.51 122.48 2f9i h ILE 236 Ca 0.29 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.23 2f9i h ILE 236 Cb 0.11 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 2f9i h ILE 236 CO -0.04 0.29 0.46 -0.33 0.00 0.00 0.00 178.15 178.54 2f9i h GLU 237 N 0.19 0.89 -0.41 2.37 5.08 -0.72 -1.31 114.58 120.67 2f9i h GLU 237 Ca 0.06 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 2f9i h GLU 237 Cb 0.44 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2f9i h GLU 237 CO 0.02 0.59 -0.22 1.96 -1.00 0.00 0.00 179.01 180.35 2f9i h GLN 238 N 0.92 0.82 -0.28 2.33 4.20 -1.22 0.18 115.11 122.06 2f9i h GLN 238 Ca 0.27 -0.33 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 2f9i h GLN 238 Cb -0.05 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2f9i h GLN 238 CO -0.08 0.96 -0.03 1.15 -0.67 0.00 0.00 178.83 180.16 2f9i h THR 239 N 0.71 1.27 0.00 -0.54 2.02 -0.72 -3.24 112.91 112.41 2f9i h THR 239 Ca 0.10 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.28 2f9i h THR 239 Cb 0.75 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2f9i h THR 239 CO 0.06 0.32 -0.89 2.30 0.37 0.00 0.00 175.52 177.67 2f9i n ILE 240 N -4.56 0.12 -3.49 3.11 -5.35 -0.53 -4.99 119.36 103.68 2f9i n ILE 240 Ca -0.03 -0.17 -0.21 0.00 -0.27 0.00 0.00 62.75 62.08 2f9i n ILE 240 Cb 0.28 0.29 0.08 0.00 -1.74 0.00 0.00 39.64 38.54 2f9i n ILE 240 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2f9i n ASN 241 N -1.82 -4.84 -3.91 7.28 4.05 0.64 -5.01 115.26 111.65 2f9i n ASN 241 Ca 0.03 -0.54 -0.09 0.00 0.45 0.00 0.00 54.58 54.43 2f9i n ASN 241 Cb 0.40 -4.87 -0.07 0.00 1.23 0.00 0.00 39.78 36.48 2f9i n ASN 241 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 2f9i s GLU 242 N -5.94 0.99 -0.06 1.20 -1.05 -1.16 -5.06 118.70 107.62 2f9i s GLU 242 Ca 0.38 -1.06 -0.22 0.00 -0.15 0.00 0.00 54.97 53.91 2f9i s GLU 242 Cb -0.17 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 33.84 2f9i s GLU 242 CO 0.70 -0.34 0.64 0.21 0.95 0.00 0.00 175.26 177.42 2f9i s LYS 243 N -3.91 4.40 0.26 -4.83 2.47 -1.26 -4.62 119.74 112.25 2f9i s LYS 243 Ca 0.11 0.79 -0.11 0.00 -1.56 0.00 0.00 55.97 55.19 2f9i s LYS 243 Cb 0.04 -3.42 -0.08 0.00 -1.46 0.00 0.00 37.83 32.91 2f9i s LYS 243 CO -0.06 0.16 0.61 -0.51 0.16 0.00 0.00 175.35 175.71 2f9i s LEU 244 N 0.52 4.13 0.77 5.43 1.43 -1.26 -5.05 118.68 124.65 2f9i s LEU 244 Ca 0.34 1.04 -0.15 0.00 -1.03 0.00 0.00 54.13 54.33 2f9i s LEU 244 Cb -0.18 -3.81 0.01 0.00 0.03 0.00 0.00 46.19 42.25 2f9i s LEU 244 CO 0.17 -0.11 0.81 -2.65 0.23 0.00 0.00 176.35 174.79 2f9i n PRO 245 N -0.20 0.25 0.22 1.29 -0.02 -1.26 -4.90 135.00 130.38 2f9i n PRO 245 Ca 0.01 0.14 0.05 0.00 -2.02 0.00 0.00 63.50 61.69 2f9i n PRO 245 Cb 0.53 -2.10 0.51 0.00 -0.02 0.00 0.00 33.50 32.41 2f9i n PRO 245 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2f9i h ASP 246 N -0.63 0.02 -0.09 2.55 3.32 -2.07 -1.98 116.42 117.53 2f9i h ASP 246 Ca -0.46 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2f9i h ASP 246 Cb 1.32 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2f9i h ASP 246 CO 0.43 0.18 0.00 -0.90 -1.72 0.00 0.00 179.24 177.23 2f9i n ASP 247 N -4.34 1.88 -4.66 6.45 5.75 -1.26 -4.93 116.55 115.44 2f9i n ASP 247 Ca -0.02 -1.66 -0.49 0.00 -0.01 0.00 0.00 54.79 52.60 2f9i n ASP 247 Cb 0.23 -0.05 -0.05 0.00 -1.03 0.00 0.00 41.12 40.22 2f9i n ASP 247 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2f9i n PHE 248 N 0.46 2.12 -0.89 2.11 7.35 -0.75 -1.35 117.46 126.53 2f9i n PHE 248 Ca 0.17 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 57.16 2f9i n PHE 248 Cb 0.39 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.70 2f9i n PHE 248 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2f9i n GLN 249 N 4.33 -0.25 -1.89 -4.13 6.02 -1.26 -4.96 117.38 115.23 2f9i n GLN 249 Ca 0.20 0.06 -0.32 0.00 -0.01 0.00 0.00 57.00 56.93 2f9i n GLN 249 Cb 0.25 -3.39 0.02 0.00 1.02 0.00 0.00 30.24 28.15 2f9i n GLN 249 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2f9i s THR 250 N -2.47 3.81 0.37 5.09 -4.23 -0.45 -0.79 115.64 116.96 2f9i s THR 250 Ca 0.00 0.78 0.15 0.00 -1.18 0.00 0.00 61.69 61.44 2f9i s THR 250 Cb 0.00 -3.35 0.36 0.00 1.34 0.00 0.00 72.50 70.85 2f9i s THR 250 CO 0.00 -0.58 1.77 0.00 -0.54 0.00 0.00 174.62 175.27 2f9i h ALA 251 N 0.09 2.06 -0.56 3.99 0.00 -0.83 0.15 119.26 124.17 2f9i h ALA 251 Ca -0.46 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 2f9i h ALA 251 Cb 1.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2f9i h ALA 251 CO 0.57 -0.46 0.08 0.93 0.00 0.00 0.00 179.25 180.36 2f9i h GLU 252 N 0.49 0.93 -0.10 0.00 3.07 -1.88 0.28 114.58 117.38 2f9i h GLU 252 Ca 0.59 -0.26 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 2f9i h GLU 252 Cb 1.33 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 29.13 2f9i h GLU 252 CO -0.34 0.90 0.06 0.35 -1.40 0.00 0.00 179.01 178.59 2f9i h PHE 253 N 0.83 0.13 -0.79 4.33 3.57 -1.25 -2.11 116.94 121.64 2f9i h PHE 253 Ca 0.17 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2f9i h PHE 253 Cb 0.43 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 2f9i h PHE 253 CO 0.03 0.10 0.41 -0.07 -2.23 0.00 0.00 178.31 176.55 2f9i h LEU 254 N 0.11 0.99 -0.48 0.59 4.07 -0.73 -1.59 115.31 118.27 2f9i h LEU 254 Ca 0.04 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.90 2f9i h LEU 254 Cb 0.01 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 2f9i h LEU 254 CO -0.01 0.82 0.31 0.25 -1.08 0.00 0.00 178.44 178.73 2f9i h LEU 255 N 1.11 0.57 -1.06 1.67 6.46 -0.78 -0.24 115.31 123.03 2f9i h LEU 255 Ca 0.28 -0.03 0.04 0.00 -0.12 0.00 0.00 57.88 58.04 2f9i h LEU 255 Cb 0.06 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 39.80 2f9i h LEU 255 CO -0.04 0.43 0.63 -0.08 -0.62 0.00 0.00 178.44 178.76 2f9i h GLU 256 N 0.65 1.18 -0.80 1.25 4.81 -0.95 -2.09 114.58 118.62 2f9i h GLU 256 Ca 0.18 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2f9i h GLU 256 Cb -0.05 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.07 2f9i h GLU 256 CO -0.04 0.78 0.00 0.72 -0.73 0.00 0.00 179.01 179.74 2f9i n HIS 257 N -4.44 0.73 -0.90 0.92 8.25 -0.64 -4.91 115.22 114.24 2f9i n HIS 257 Ca 0.13 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2f9i n HIS 257 Cb 0.10 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 30.98 2f9i n HIS 257 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2f9i n GLY 258 N 0.29 0.88 0.10 -1.41 0.00 -0.79 -4.93 105.19 99.33 2f9i n GLY 258 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2f9i n GLY 258 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2f9i n GLN 259 N -2.16 0.35 -4.66 1.61 1.13 -0.15 -4.86 117.38 108.64 2f9i n GLN 259 Ca 0.00 -0.21 -0.24 0.00 -1.94 0.00 0.00 57.00 54.61 2f9i n GLN 259 Cb 0.00 -1.50 -0.16 0.00 0.11 0.00 0.00 30.24 28.70 2f9i n GLN 259 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2f9i s LEU 260 N -2.80 1.88 0.26 1.08 1.43 -1.24 -4.86 118.68 114.43 2f9i s LEU 260 Ca 0.16 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2f9i s LEU 260 Cb 0.18 -0.80 0.35 0.00 0.03 0.00 0.00 46.19 45.95 2f9i s LEU 260 CO 0.64 0.12 1.71 0.44 0.23 0.00 0.00 176.35 179.49 2f9i h ASP 261 N 6.26 0.59 -3.85 2.29 3.32 -1.16 -3.44 116.42 120.43 2f9i h ASP 261 Ca -0.33 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.50 2f9i h ASP 261 Cb 1.17 -0.16 -0.22 0.00 0.22 0.00 0.00 39.33 40.34 2f9i h ASP 261 CO 0.48 0.80 0.17 -0.75 -1.72 0.00 0.00 179.24 178.23 2f9i s LYS 262 N -4.60 0.79 -0.15 3.56 2.20 -1.15 -5.04 119.74 115.36 2f9i s LYS 262 Ca -0.08 0.95 -0.16 0.00 -0.36 0.00 0.00 55.97 56.32 2f9i s LYS 262 Cb 0.14 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.79 2f9i s LYS 262 CO 0.80 -0.10 0.38 0.08 -0.36 0.00 0.00 175.35 176.16 2f9i s VAL 263 N 0.40 5.25 -0.17 4.02 1.01 -1.26 -2.38 120.40 127.26 2f9i s VAL 263 Ca 0.00 0.73 0.01 0.00 0.00 0.00 0.00 61.98 62.72 2f9i s VAL 263 Cb -0.05 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.64 2f9i s VAL 263 CO -0.01 0.35 -0.12 -0.69 0.00 0.00 0.00 175.10 174.63 2f9i s VAL 264 N 0.60 1.60 0.37 2.92 1.01 0.91 -4.95 120.40 122.86 2f9i s VAL 264 Ca 0.21 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 2f9i s VAL 264 Cb -0.14 -1.60 -0.10 0.00 0.00 0.00 0.00 36.38 34.54 2f9i s VAL 264 CO 0.07 0.30 1.35 -2.28 0.00 0.00 0.00 175.10 174.54 2f9i s HIS 265 N 1.44 2.84 0.56 5.22 5.65 -1.26 -4.30 115.29 125.44 2f9i s HIS 265 Ca 0.02 1.35 0.26 0.00 0.25 0.00 0.00 55.06 56.94 2f9i s HIS 265 Cb -0.15 -3.76 1.48 0.00 -1.18 0.00 0.00 32.58 28.97 2f9i s HIS 265 CO -0.09 -2.23 2.02 0.00 -0.65 0.00 0.00 174.74 173.78 2f9i h ARG 266 N 3.02 0.00 -0.03 2.88 3.08 -1.96 0.73 114.38 122.10 2f9i h ARG 266 Ca -0.50 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.56 2f9i h ARG 266 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 2f9i h ARG 266 CO 0.64 0.00 0.02 -0.97 -1.07 0.00 0.00 179.97 178.59 2f9i h ASN 267 N 0.00 0.00 -0.02 7.04 -0.73 -1.92 -2.49 115.58 117.45 2f9i h ASN 267 Ca 0.19 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.36 2f9i h ASN 267 Cb 0.84 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.43 2f9i h ASN 267 CO -0.00 0.00 -0.15 0.47 -0.37 0.00 0.00 177.43 177.38 2f9i n ASP 268 N -4.25 2.45 0.13 1.15 8.00 0.23 -4.70 116.55 119.57 2f9i n ASP 268 Ca -0.02 -1.73 -0.13 0.00 0.71 0.00 0.00 54.79 53.62 2f9i n ASP 268 Cb 0.11 0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.32 2f9i n ASP 268 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 2f9i h MET 269 N 3.46 -0.31 -0.50 -1.24 1.85 -1.25 0.73 114.93 117.66 2f9i h MET 269 Ca 0.00 0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.09 2f9i h MET 269 Cb 0.81 0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.89 2f9i h MET 269 CO 0.00 -0.21 0.24 -0.09 -0.40 0.00 0.00 176.91 176.45 2f9i h ARG 270 N -0.33 0.73 -0.35 0.39 2.43 -1.84 -1.20 114.38 114.22 2f9i h ARG 270 Ca -0.01 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 58.95 2f9i h ARG 270 Cb 0.29 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2f9i h ARG 270 CO -0.01 0.61 -0.20 0.37 -1.51 0.00 0.00 179.97 179.22 2f9i h GLN 271 N 0.67 0.75 -0.41 0.20 5.75 -1.83 -1.68 115.11 118.57 2f9i h GLN 271 Ca 0.17 -0.34 0.02 0.00 -0.15 0.00 0.00 58.65 58.35 2f9i h GLN 271 Cb 0.12 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 2f9i h GLN 271 CO -0.02 0.96 0.23 1.15 -2.65 0.00 0.00 178.83 178.49 2f9i h THR 272 N 0.53 1.02 -0.68 2.39 2.02 -0.69 -0.75 112.91 116.75 2f9i h THR 272 Ca 0.07 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 2f9i h THR 272 Cb 0.75 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 2f9i h THR 272 CO 0.06 0.08 0.21 -0.07 0.37 0.00 0.00 175.52 176.17 2f9i h LEU 273 N 0.46 0.98 -0.43 2.58 3.38 -1.19 -1.12 115.31 119.97 2f9i h LEU 273 Ca 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2f9i h LEU 273 Cb 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2f9i h LEU 273 CO -0.09 0.93 0.20 -1.28 0.09 0.00 0.00 178.44 178.29 2f9i h SER 274 N 0.99 0.57 -0.31 -0.43 0.87 -1.03 -0.55 113.55 113.65 2f9i h SER 274 Ca 0.22 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 2f9i h SER 274 Cb 0.30 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2f9i h SER 274 CO -0.01 0.54 0.11 -0.33 -0.53 0.00 0.00 176.83 176.61 2f9i h GLU 275 N 0.55 0.47 -0.50 2.24 5.08 -0.97 -0.66 114.58 120.79 2f9i h GLU 275 Ca 0.15 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2f9i h GLU 275 Cb 0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2f9i h GLU 275 CO -0.02 0.49 0.25 0.82 -1.00 0.00 0.00 179.01 179.56 2f9i h ILE 276 N 0.35 1.19 -0.83 3.13 2.04 -1.02 -0.42 117.51 121.94 2f9i h ILE 276 Ca 0.10 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 2f9i h ILE 276 Cb 0.21 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 2f9i h ILE 276 CO -0.01 0.21 0.48 -0.07 0.00 0.00 0.00 178.15 178.76 2f9i h LEU 277 N 0.67 1.01 -0.21 1.44 3.38 -0.88 -1.92 115.31 118.80 2f9i h LEU 277 Ca 0.17 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2f9i h LEU 277 Cb 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2f9i h LEU 277 CO -0.02 0.80 0.04 0.50 0.09 0.00 0.00 178.44 179.85 2f9i h LYS 278 N 1.14 0.34 -0.88 1.13 3.64 -0.78 -1.50 116.57 119.66 2f9i h LYS 278 Ca 0.30 -0.08 0.13 0.00 -1.27 0.00 0.00 60.65 59.72 2f9i h LYS 278 Cb -0.01 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.70 2f9i h LYS 278 CO -0.05 0.47 0.57 0.82 -2.27 0.00 0.00 179.45 178.99 2f9i h ILE 279 N 0.15 0.87 -0.47 2.00 2.04 -0.77 -2.72 117.51 118.61 2f9i h ILE 279 Ca 0.06 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2f9i h ILE 279 Cb 0.29 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2f9i h ILE 279 CO 0.00 0.13 0.00 1.41 0.00 0.00 0.00 178.15 179.69 2f9i n HIS 280 N -4.55 0.61 -1.81 1.37 8.25 -0.75 -4.95 115.22 113.39 2f9i n HIS 280 Ca 0.17 -0.31 -0.42 0.00 -0.26 0.00 0.00 57.72 56.90 2f9i n HIS 280 Cb 0.43 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 2f9i n HIS 280 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2f9i s GLN 281 N -1.39 4.16 0.25 -0.41 0.74 -0.59 -4.89 119.66 117.53 2f9i s GLN 281 Ca 0.39 2.50 -0.30 0.00 0.05 0.00 0.00 55.36 58.00 2f9i s GLN 281 Cb 0.22 -3.32 -0.09 0.00 1.10 0.00 0.00 33.01 30.92 2f9i s GLN 281 CO 0.30 -0.74 1.02 -1.21 -0.55 0.00 0.00 175.29 174.10 2f9i s GLU 282 N 1.83 4.75 0.00 1.67 2.02 -1.26 -5.07 118.70 122.64 2f9i s GLU 282 Ca 0.75 1.63 0.00 0.00 0.02 0.00 0.00 54.97 57.37 2f9i s GLU 282 Cb -0.46 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.53 2f9i s GLU 282 CO 0.33 0.36 0.00 0.28 0.02 0.00 0.00 175.26 176.25