#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iur s GLU 74 N 0.00 1.27 -0.03 -0.14 2.02 -1.26 -5.14 118.70 115.42 2iur s GLU 74 Ca 0.00 -1.43 -0.00 0.00 0.02 0.00 0.00 54.97 53.55 2iur s GLU 74 Cb 0.00 -1.25 0.03 0.00 0.10 0.00 0.00 34.13 33.01 2iur s GLU 74 CO 0.00 0.24 0.03 0.08 0.02 0.00 0.00 175.26 175.64 2iur s VAL 75 N -2.26 -0.04 -0.08 2.63 1.01 -1.26 -5.13 120.40 115.28 2iur s VAL 75 Ca 0.17 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 2iur s VAL 75 Cb -0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 2iur s VAL 75 CO 0.06 0.12 1.24 -0.22 0.00 0.00 0.00 175.10 176.30 2iur s LEU 76 N 1.32 4.26 0.15 3.92 2.96 -1.26 -5.03 118.68 124.99 2iur s LEU 76 Ca -0.06 1.81 0.10 0.00 -0.22 0.00 0.00 54.13 55.77 2iur s LEU 76 Cb -0.13 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 2iur s LEU 76 CO -0.03 -0.64 -0.24 0.42 -1.32 0.00 0.00 176.35 174.54 2iur s THR 77 N 2.55 2.10 0.00 3.68 -4.23 -1.26 -5.15 115.64 113.33 2iur s THR 77 Ca 0.56 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 2iur s THR 77 Cb -0.25 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.68 2iur s THR 77 CO 0.21 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 2iur n GLY 78 N 0.67 4.23 1.52 3.99 0.00 -1.26 -4.87 105.19 109.48 2iur n GLY 78 Ca -0.16 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.77 2iur n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iur n GLY 79 N 5.00 0.61 3.88 -0.02 0.00 -1.26 -5.04 105.19 108.35 2iur n GLY 79 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2iur n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2iur s HIS 80 N -2.00 3.46 0.48 1.61 4.02 -1.26 -5.07 115.29 116.54 2iur s HIS 80 Ca 0.00 0.97 -0.03 0.00 1.02 0.00 0.00 55.06 57.02 2iur s HIS 80 Cb 0.00 -2.37 -0.01 0.00 -1.02 0.00 0.00 32.58 29.18 2iur s HIS 80 CO 0.00 -0.02 0.75 -1.12 1.02 0.00 0.00 174.74 175.37 2iur s SER 81 N -3.06 5.95 0.30 1.40 0.01 -1.26 -4.70 113.70 112.34 2iur s SER 81 Ca 0.50 0.60 -0.30 0.00 1.31 0.00 0.00 55.95 58.06 2iur s SER 81 Cb -0.10 -1.84 -0.12 0.00 0.21 0.00 0.00 66.02 64.16 2iur s SER 81 CO 0.29 -0.71 1.42 0.52 0.41 0.00 0.00 173.24 175.17 2iur n VAL 82 N -2.23 1.41 0.11 3.43 0.31 0.36 -4.90 118.33 116.82 2iur n VAL 82 Ca 0.01 -0.35 -0.02 0.00 -0.01 0.00 0.00 64.34 63.97 2iur n VAL 82 Cb 0.57 -1.67 0.05 0.00 -0.91 0.00 0.00 33.84 31.88 2iur n VAL 82 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2iur h SER 83 N 3.69 0.00 -2.91 4.52 4.64 -1.92 -3.44 113.55 118.14 2iur h SER 83 Ca -0.46 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.27 2iur h SER 83 Cb 1.26 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.32 2iur h SER 83 CO 0.71 0.72 -0.42 0.00 -0.87 0.00 0.00 176.83 176.98 2iur s ALA 84 N -3.14 3.92 0.77 5.18 0.00 -1.26 -5.09 121.76 122.14 2iur s ALA 84 Ca 0.01 -0.80 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 2iur s ALA 84 Cb 0.10 -1.93 0.06 0.00 0.00 0.00 0.00 23.12 21.35 2iur s ALA 84 CO 0.77 0.67 1.09 -1.25 0.00 0.00 0.00 175.76 177.05 2iur s PRO 85 N -2.81 2.26 0.29 0.00 0.04 -1.26 -4.90 135.00 128.61 2iur s PRO 85 Ca 0.37 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.61 2iur s PRO 85 Cb -0.12 -1.90 0.60 0.00 0.04 0.00 0.00 34.50 33.12 2iur s PRO 85 CO 0.27 -1.65 1.82 1.96 0.04 0.00 0.00 177.00 179.45 2iur h GLN 86 N -1.11 0.91 0.00 4.56 4.20 -1.98 -0.78 115.11 120.92 2iur h GLN 86 Ca -0.44 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.22 2iur h GLN 86 Cb 1.23 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.81 2iur h GLN 86 CO 0.51 0.61 0.00 -0.85 -0.67 0.00 0.00 178.83 178.43 2iur n GLU 87 N -4.65 0.02 0.00 1.46 0.00 -1.26 -1.43 120.64 114.77 2iur n GLU 87 Ca 0.20 0.39 0.12 0.00 0.00 0.00 0.00 57.16 57.87 2iur n GLU 87 Cb 0.41 -1.56 0.17 0.00 0.00 0.00 0.00 31.44 30.46 2iur n GLU 87 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2iur n ASN 88 N -1.61 1.57 -4.86 -1.84 4.13 -0.30 -4.99 115.26 107.37 2iur n ASN 88 Ca 0.02 -1.23 -0.36 0.00 1.68 0.00 0.00 54.58 54.69 2iur n ASN 88 Cb 0.10 0.32 -0.06 0.00 -1.54 0.00 0.00 39.78 38.61 2iur n ASN 88 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2iur s ARG 89 N -2.49 3.74 0.13 3.52 0.52 -0.52 -1.01 118.95 122.85 2iur s ARG 89 Ca 0.21 0.16 0.04 0.00 -0.52 0.00 0.00 55.73 55.63 2iur s ARG 89 Cb 0.19 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 2iur s ARG 89 CO 0.55 0.63 -0.10 0.96 0.02 0.00 0.00 175.30 177.36 2iur s ILE 90 N -1.27 1.11 -0.19 1.52 -4.36 0.20 -1.35 121.20 116.86 2iur s ILE 90 Ca 0.28 -1.97 0.01 0.00 -0.26 0.00 0.00 60.65 58.71 2iur s ILE 90 Cb -0.14 -1.74 0.04 0.00 1.25 0.00 0.00 42.46 41.86 2iur s ILE 90 CO 0.15 -0.71 -0.13 -0.31 0.24 0.00 0.00 174.94 174.19 2iur s TYR 91 N -3.14 2.52 -0.31 1.37 1.51 0.63 -1.40 117.35 118.53 2iur s TYR 91 Ca 0.14 -1.62 -0.09 0.00 -1.01 0.00 0.00 57.07 54.49 2iur s TYR 91 Cb 0.01 -1.71 -0.00 0.00 -0.11 0.00 0.00 41.96 40.15 2iur s TYR 91 CO 0.00 -0.76 0.14 0.08 -1.11 0.00 0.00 175.55 173.91 2iur s VAL 92 N 1.36 4.49 -0.62 0.71 1.01 0.17 -1.43 120.40 126.10 2iur s VAL 92 Ca 0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.25 2iur s VAL 92 Cb -0.15 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 32.97 2iur s VAL 92 CO -0.09 0.06 1.00 -0.32 0.00 0.00 0.00 175.10 175.75 2iur s MET 93 N 1.59 3.24 -0.48 2.72 1.75 -0.54 -0.74 119.30 126.84 2iur s MET 93 Ca 0.04 -0.46 -0.21 0.00 -1.25 0.00 0.00 55.69 53.82 2iur s MET 93 Cb -0.17 -4.13 0.04 0.00 2.84 0.00 0.00 34.83 33.40 2iur s MET 93 CO 0.06 -1.70 0.67 0.34 -0.65 0.00 0.00 175.02 173.74 2iur s ASP 94 N 3.28 6.29 0.44 1.11 -1.08 0.41 -4.11 116.67 123.01 2iur s ASP 94 Ca 0.28 -0.53 0.20 0.00 -0.52 0.00 0.00 52.55 51.98 2iur s ASP 94 Cb -0.13 -2.32 1.05 0.00 -1.46 0.00 0.00 42.92 40.05 2iur s ASP 94 CO 0.15 -0.87 1.93 0.77 0.52 0.00 0.00 175.17 177.68 2iur h SER 95 N 8.97 0.00 -6.57 -0.34 4.64 -1.41 -1.78 113.55 117.07 2iur h SER 95 Ca -0.26 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.55 2iur h SER 95 Cb 1.09 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.21 2iur h SER 95 CO 0.94 0.24 -0.97 0.52 -0.87 0.00 0.00 176.83 176.69 2iur n VAL 96 N -3.85 -4.21 -0.24 0.95 0.31 -1.24 -4.15 118.33 105.90 2iur n VAL 96 Ca -0.02 -0.77 0.09 0.00 -0.01 0.00 0.00 64.34 63.63 2iur n VAL 96 Cb 0.33 -3.27 0.35 0.00 -0.91 0.00 0.00 33.84 30.35 2iur n VAL 96 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2iur h PHE 97 N -2.20 0.81 0.00 3.52 3.57 -1.91 0.37 116.94 121.11 2iur h PHE 97 Ca -0.68 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 60.84 2iur h PHE 97 Cb 1.38 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 2iur h PHE 97 CO 0.37 0.37 -0.00 0.52 -2.23 0.00 0.00 178.31 177.34 2iur h MET 98 N 0.75 0.00 -1.70 1.11 2.86 -1.98 -3.23 114.93 112.74 2iur h MET 98 Ca 0.38 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.55 2iur h MET 98 Cb 0.47 0.00 -0.36 0.00 0.06 0.00 0.00 31.60 31.78 2iur h MET 98 CO -0.15 0.00 -1.05 0.72 1.06 0.00 0.00 176.91 177.49 2iur n HIS 99 N -3.73 -0.54 0.32 -0.22 8.25 0.12 -5.01 115.22 114.41 2iur n HIS 99 Ca -0.03 -3.43 0.14 0.00 -0.26 0.00 0.00 57.72 54.14 2iur n HIS 99 Cb 0.08 -0.09 0.63 0.00 1.12 0.00 0.00 29.99 31.73 2iur n HIS 99 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2iur h LEU 100 N 3.47 0.00 0.00 2.41 5.85 -1.20 0.34 115.31 126.18 2iur h LEU 100 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2iur h LEU 100 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2iur h LEU 100 CO 0.44 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 178.89 2iur n THR 101 N -2.53 0.54 -2.14 1.05 -2.24 -1.26 -1.79 114.28 105.91 2iur n THR 101 Ca 0.01 0.13 -0.21 0.00 -2.27 0.00 0.00 64.05 61.71 2iur n THR 101 Cb 0.20 -0.80 0.02 0.00 -2.10 0.00 0.00 70.33 67.65 2iur n THR 101 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2iur n GLU 102 N -1.41 3.36 -1.07 -0.78 2.13 0.11 -3.70 120.64 119.28 2iur n GLU 102 Ca 0.07 -4.08 -0.33 0.00 0.66 0.00 0.00 57.16 53.47 2iur n GLU 102 Cb 0.20 -2.19 0.13 0.00 0.27 0.00 0.00 31.44 29.85 2iur n GLU 102 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2iur s SER 103 N -3.63 3.53 0.12 4.31 1.04 -0.70 -4.84 113.70 113.53 2iur s SER 103 Ca 0.48 2.34 -0.25 0.00 0.48 0.00 0.00 55.95 59.00 2iur s SER 103 Cb 0.40 -2.59 0.08 0.00 0.10 0.00 0.00 66.02 64.01 2iur s SER 103 CO 0.03 -2.71 0.69 0.00 0.98 0.00 0.00 173.24 172.23 2iur s ARG 104 N -4.20 1.17 -0.20 4.02 3.03 -0.67 -1.16 118.95 120.94 2iur s ARG 104 Ca 0.72 -0.45 -0.13 0.00 2.03 0.00 0.00 55.73 57.90 2iur s ARG 104 Cb -0.28 0.53 -0.05 0.00 -1.03 0.00 0.00 34.95 34.12 2iur s ARG 104 CO 0.51 -0.51 0.28 0.08 -1.13 0.00 0.00 175.30 174.53 2iur s VAL 105 N -3.57 5.29 -0.19 4.99 1.01 0.17 -0.44 120.40 127.65 2iur s VAL 105 Ca 0.03 0.48 -0.10 0.00 0.00 0.00 0.00 61.98 62.38 2iur s VAL 105 Cb -0.01 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 2iur s VAL 105 CO -0.11 0.34 0.15 -1.00 0.00 0.00 0.00 175.10 174.48 2iur s HIS 106 N 0.90 3.42 -0.26 5.22 3.76 0.08 -1.13 115.29 127.28 2iur s HIS 106 Ca 0.14 0.37 -0.09 0.00 -0.15 0.00 0.00 55.06 55.33 2iur s HIS 106 Cb -0.14 -2.18 -0.04 0.00 1.11 0.00 0.00 32.58 31.33 2iur s HIS 106 CO 0.05 0.29 0.14 0.08 -0.85 0.00 0.00 174.74 174.44 2iur s VAL 107 N 0.36 4.97 0.20 -0.90 1.01 0.09 -0.65 120.40 125.48 2iur s VAL 107 Ca 0.09 0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.23 2iur s VAL 107 Cb -0.11 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2iur s VAL 107 CO -0.01 0.31 -0.21 -0.31 0.00 0.00 0.00 175.10 174.87 2iur s TYR 108 N 1.50 2.13 -0.36 5.22 1.51 -0.49 -0.45 117.35 126.41 2iur s TYR 108 Ca 0.07 -0.39 -0.19 0.00 -1.01 0.00 0.00 57.07 55.54 2iur s TYR 108 Cb -0.15 -1.03 0.00 0.00 -0.11 0.00 0.00 41.96 40.67 2iur s TYR 108 CO 0.07 0.48 0.59 0.34 -1.11 0.00 0.00 175.55 175.91 2iur s ASP 109 N -2.83 6.38 0.36 2.29 -1.08 -0.04 -0.63 116.67 121.12 2iur s ASP 109 Ca 0.21 0.05 0.27 0.00 -0.52 0.00 0.00 52.55 52.56 2iur s ASP 109 Cb -0.07 -2.30 1.01 0.00 -1.46 0.00 0.00 42.92 40.10 2iur s ASP 109 CO 0.10 -0.56 1.80 0.10 0.52 0.00 0.00 175.17 177.13 2iur h TYR 110 N 8.48 0.00 0.00 -5.34 -0.00 -1.40 0.68 116.97 119.38 2iur h TYR 110 Ca -0.27 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.38 2iur h TYR 110 Cb 1.12 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.83 2iur h TYR 110 CO 0.74 0.00 -0.39 1.79 -0.00 0.00 0.00 178.16 180.29 2iur h THR 111 N 0.00 0.74 0.00 -0.90 1.35 -1.93 -3.38 112.91 108.79 2iur h THR 111 Ca 0.00 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.04 2iur h THR 111 Cb 0.53 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 2iur h THR 111 CO 0.00 0.39 0.00 -0.46 -0.25 0.00 0.00 175.52 175.20 2iur n ASN 112 N -3.29 0.00 0.00 5.36 0.23 -1.18 -5.04 115.26 111.35 2iur n ASN 112 Ca 0.01 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.06 2iur n ASN 112 Cb 0.63 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.33 2iur n ASN 112 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2iur n GLY 113 N 0.00 0.58 3.76 4.83 0.00 0.22 -5.01 105.19 109.57 2iur n GLY 113 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2iur n GLY 113 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2iur s LYS 114 N -0.24 4.45 -0.04 1.61 2.20 -1.22 -4.76 119.74 121.73 2iur s LYS 114 Ca 0.00 2.06 -0.28 0.00 -0.36 0.00 0.00 55.97 57.38 2iur s LYS 114 Cb 0.00 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 2iur s LYS 114 CO 0.00 -0.09 0.92 0.12 -0.36 0.00 0.00 175.35 175.94 2iur s PHE 115 N -0.84 3.60 -0.02 4.03 5.36 -1.26 -0.86 117.98 127.99 2iur s PHE 115 Ca 0.49 1.56 0.09 0.00 -0.96 0.00 0.00 56.93 58.11 2iur s PHE 115 Cb -0.37 -3.06 -0.14 0.00 -0.34 0.00 0.00 43.02 39.12 2iur s PHE 115 CO 0.46 -0.04 0.18 1.28 -1.46 0.00 0.00 175.22 175.64 2iur n LEU 116 N 4.14 0.00 0.00 6.12 4.77 0.40 -4.96 117.00 127.47 2iur n LEU 116 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2iur n LEU 116 Cb 0.51 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2iur n LEU 116 CO 0.51 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2iur n GLY 117 N 2.06 -0.86 3.43 -0.72 0.00 -1.18 -4.77 105.19 103.15 2iur n GLY 117 Ca -0.03 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.51 2iur n GLY 117 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2iur s MET 118 N -2.00 1.21 -0.14 1.61 0.23 -1.26 -0.73 119.30 118.23 2iur s MET 118 Ca 0.00 -0.44 -0.00 0.00 -1.03 0.00 0.00 55.69 54.22 2iur s MET 118 Cb 0.00 0.56 0.02 0.00 -1.53 0.00 0.00 34.83 33.88 2iur s MET 118 CO 0.00 -0.53 -0.11 0.08 -2.03 0.00 0.00 175.02 172.43 2iur s VAL 119 N -3.64 1.31 0.24 5.16 1.01 -0.28 -4.97 120.40 119.23 2iur s VAL 119 Ca 0.02 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 2iur s VAL 119 Cb -0.01 -1.29 -0.09 0.00 0.00 0.00 0.00 36.38 34.99 2iur s VAL 119 CO -0.12 0.40 1.25 -2.16 0.00 0.00 0.00 175.10 174.46 2iur s PRO 120 N 1.59 4.45 -0.07 2.72 0.04 -1.26 -0.66 135.00 141.81 2iur s PRO 120 Ca 0.05 2.01 0.18 0.00 0.04 0.00 0.00 61.00 63.27 2iur s PRO 120 Cb -0.13 -3.17 0.37 0.00 0.04 0.00 0.00 34.50 31.60 2iur s PRO 120 CO -0.09 -0.12 1.16 0.25 0.04 0.00 0.00 177.00 178.24 2iur n THR 121 N 1.92 0.81 -1.73 1.26 -2.24 -0.31 -4.90 114.28 109.09 2iur n THR 121 Ca 0.03 -1.66 0.00 0.00 -2.27 0.00 0.00 64.05 60.15 2iur n THR 121 Cb 0.43 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 2iur n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iur n ALA 122 N -0.19 0.00 -2.62 6.98 0.00 -1.22 -3.17 120.51 120.29 2iur n ALA 122 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 2iur n ALA 122 Cb 0.92 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.34 2iur n ALA 122 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2iur s PHE 123 N 0.00 3.13 -1.15 0.00 5.36 -1.22 -1.72 117.98 122.38 2iur s PHE 123 Ca 0.00 0.95 -0.19 0.00 -0.96 0.00 0.00 56.93 56.73 2iur s PHE 123 Cb 0.00 -3.57 -0.01 0.00 -0.34 0.00 0.00 43.02 39.10 2iur s PHE 123 CO 0.00 -0.74 0.78 -1.71 -1.46 0.00 0.00 175.22 172.09 2iur n ASN 124 N 6.68 -5.05 -4.75 6.13 5.15 -0.74 -3.69 115.26 118.99 2iur n ASN 124 Ca 0.08 -0.99 -0.35 0.00 -0.60 0.00 0.00 54.58 52.71 2iur n ASN 124 Cb 0.48 -3.49 0.03 0.00 -0.53 0.00 0.00 39.78 36.27 2iur n ASN 124 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2iur s GLY 125 N -3.53 2.66 0.23 8.20 0.00 -1.19 -4.77 107.32 108.92 2iur s GLY 125 Ca 0.44 0.94 0.11 0.00 0.00 0.00 0.00 44.72 46.22 2iur s GLY 125 CO 0.85 1.33 -0.21 0.30 0.00 0.00 0.00 173.10 175.37 2iur s HIS 126 N -1.70 2.19 -0.05 1.90 3.76 -0.10 -4.94 115.29 116.37 2iur s HIS 126 Ca 0.76 -0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 55.18 2iur s HIS 126 Cb -0.29 -1.02 0.02 0.00 1.11 0.00 0.00 32.58 32.40 2iur s HIS 126 CO 0.34 0.56 0.25 0.54 -0.85 0.00 0.00 174.74 175.58 2iur s VAL 127 N -2.16 0.04 0.14 -0.90 0.11 -1.26 -1.15 120.40 115.21 2iur s VAL 127 Ca 0.24 -0.34 -0.13 0.00 -2.93 0.00 0.00 61.98 58.82 2iur s VAL 127 Cb -0.06 -0.48 0.02 0.00 -1.53 0.00 0.00 36.38 34.33 2iur s VAL 127 CO 0.11 -0.19 0.35 0.00 -3.33 0.00 0.00 175.10 172.05 2iur s GLN 128 N -0.76 1.09 -0.08 1.54 -2.07 -0.28 -5.02 119.66 114.08 2iur s GLN 128 Ca -0.09 -0.88 -0.03 0.00 -1.82 0.00 0.00 55.36 52.54 2iur s GLN 128 Cb -0.04 0.43 -0.04 0.00 -1.09 0.00 0.00 33.01 32.27 2iur s GLN 128 CO 0.02 -0.42 0.07 0.08 -1.32 0.00 0.00 175.29 173.72 2iur s VAL 129 N -3.86 4.84 0.50 3.63 1.01 -1.26 -0.51 120.40 124.74 2iur s VAL 129 Ca 0.07 -0.11 -0.23 0.00 0.00 0.00 0.00 61.98 61.71 2iur s VAL 129 Cb 0.02 -3.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 2iur s VAL 129 CO -0.08 0.56 1.33 -1.54 0.00 0.00 0.00 175.10 175.37 2iur n SER 130 N 1.89 2.67 0.03 3.32 3.41 -0.14 -4.86 113.62 119.94 2iur n SER 130 Ca -0.18 1.03 0.11 0.00 -0.26 0.00 0.00 58.87 59.57 2iur n SER 130 Cb 0.54 -1.55 0.56 0.00 -0.26 0.00 0.00 64.21 63.50 2iur n SER 130 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2iur h ASN 131 N 1.72 0.22 0.17 4.04 2.35 -1.91 -0.03 115.58 122.15 2iur h ASN 131 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 2iur h ASN 131 Cb 1.30 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.62 2iur h ASN 131 CO 0.58 0.14 -0.04 -0.90 -1.65 0.00 0.00 177.43 175.57 2iur n ASP 132 N -4.47 0.45 0.00 5.81 5.68 -1.26 -4.91 116.55 117.85 2iur n ASP 132 Ca 0.05 -0.88 0.00 0.00 -0.50 0.00 0.00 54.79 53.47 2iur n ASP 132 Cb 0.29 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 2iur n ASP 132 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2iur n GLY 133 N 1.15 0.65 0.08 6.12 0.00 -0.02 -4.89 105.19 108.28 2iur n GLY 133 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 2iur n GLY 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2iur n LYS 134 N -2.68 0.64 -4.25 1.61 5.02 -1.26 -4.85 118.16 112.39 2iur n LYS 134 Ca 0.00 0.24 -0.20 0.00 -2.02 0.00 0.00 58.31 56.33 2iur n LYS 134 Cb 0.00 -1.74 -0.12 0.00 -0.02 0.00 0.00 35.03 33.16 2iur n LYS 134 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2iur s LYS 135 N -2.58 1.03 -0.16 1.97 -0.14 -1.26 -1.59 119.74 117.01 2iur s LYS 135 Ca -0.06 -1.17 -0.06 0.00 -1.36 0.00 0.00 55.97 53.32 2iur s LYS 135 Cb 0.08 -1.07 -0.04 0.00 -1.68 0.00 0.00 37.83 35.12 2iur s LYS 135 CO 0.83 0.23 0.05 0.42 -0.76 0.00 0.00 175.35 176.11 2iur s ILE 136 N -1.65 4.66 -0.18 2.17 1.01 0.24 -0.97 121.20 126.48 2iur s ILE 136 Ca 0.06 -0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 2iur s ILE 136 Cb -0.08 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 2iur s ILE 136 CO 0.04 0.49 0.05 -0.31 0.00 0.00 0.00 174.94 175.21 2iur s TYR 137 N 0.11 3.22 0.26 3.97 4.12 0.33 -0.81 117.35 128.55 2iur s TYR 137 Ca 0.04 0.01 0.12 0.00 0.02 0.00 0.00 57.07 57.26 2iur s TYR 137 Cb -0.12 -2.07 -0.05 0.00 -1.52 0.00 0.00 41.96 38.20 2iur s TYR 137 CO 0.01 0.12 -0.19 0.95 0.02 0.00 0.00 175.55 176.46 2iur s THR 138 N 0.40 2.56 -0.05 -0.71 -4.23 -0.29 -1.13 115.64 112.19 2iur s THR 138 Ca 0.02 -2.27 0.01 0.00 -1.18 0.00 0.00 61.69 58.27 2iur s THR 138 Cb -0.13 -2.32 0.02 0.00 1.34 0.00 0.00 72.50 71.41 2iur s THR 138 CO 0.01 -0.33 -0.07 -0.32 -0.54 0.00 0.00 174.62 173.36 2iur s MET 139 N -3.34 1.06 0.36 3.99 1.75 -0.30 -0.79 119.30 122.03 2iur s MET 139 Ca 0.28 -0.19 -0.11 0.00 -1.25 0.00 0.00 55.69 54.41 2iur s MET 139 Cb -0.06 -0.98 0.03 0.00 2.84 0.00 0.00 34.83 36.67 2iur s MET 139 CO 0.14 -0.04 0.67 -0.08 -0.65 0.00 0.00 175.02 175.07 2iur s THR 140 N 0.80 0.00 -0.09 10.11 -1.32 -0.60 -0.92 115.64 123.61 2iur s THR 140 Ca -0.12 -1.21 0.02 0.00 -1.21 0.00 0.00 61.69 59.17 2iur s THR 140 Cb -0.15 -2.75 0.01 0.00 -1.51 0.00 0.00 72.50 68.11 2iur s THR 140 CO 0.01 0.00 -0.15 -0.89 -2.21 0.00 0.00 174.62 171.38 2iur s THR 141 N -2.66 1.43 0.20 5.08 2.01 -1.24 -1.27 115.64 119.18 2iur s THR 141 Ca 0.20 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 61.65 2iur s THR 141 Cb -0.03 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 2iur s THR 141 CO 0.14 0.42 0.03 -0.31 -0.69 0.00 0.00 174.62 174.22 2iur s TYR 142 N 0.76 2.87 0.15 4.92 1.51 -0.13 -3.45 117.35 123.99 2iur s TYR 142 Ca -0.12 -0.14 0.05 0.00 -1.01 0.00 0.00 57.07 55.86 2iur s TYR 142 Cb -0.16 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 2iur s TYR 142 CO 0.02 0.54 -0.12 -1.01 -1.11 0.00 0.00 175.55 173.87 2iur s HIS 143 N -1.87 1.38 0.39 2.71 3.76 -1.26 -0.46 115.29 119.94 2iur s HIS 143 Ca 0.29 -0.65 0.10 0.00 -0.15 0.00 0.00 55.06 54.64 2iur s HIS 143 Cb -0.09 -0.69 0.88 0.00 1.11 0.00 0.00 32.58 33.78 2iur s HIS 143 CO 0.20 0.15 1.96 0.93 -0.85 0.00 0.00 174.74 177.12 2iur h GLU 144 N 3.03 0.58 -0.12 1.40 5.08 -1.45 -1.96 114.58 121.14 2iur h GLU 144 Ca -0.38 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 57.79 2iur h GLU 144 Cb 1.20 -0.13 -0.25 0.00 0.50 0.00 0.00 28.75 30.06 2iur h GLU 144 CO 0.58 0.38 -0.83 0.54 -1.00 0.00 0.00 179.01 178.69 2iur n ARG 145 N -4.49 1.12 0.00 2.33 5.12 -0.33 -5.02 116.66 115.40 2iur n ARG 145 Ca 0.11 -2.86 0.00 0.00 -1.93 0.00 0.00 57.85 53.18 2iur n ARG 145 Cb 0.32 -0.99 0.00 0.00 -1.16 0.00 0.00 32.46 30.63 2iur n ARG 145 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2iur n ILE 146 N -0.33 0.00 1.09 0.55 5.41 -0.74 -3.37 119.36 121.98 2iur n ILE 146 Ca 0.15 0.00 0.12 0.00 1.00 0.00 0.00 62.75 64.02 2iur n ILE 146 Cb 0.93 0.00 0.17 0.00 -0.71 0.00 0.00 39.64 40.03 2iur n ILE 146 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2iur n THR 147 N 0.00 0.00 -3.97 1.39 -2.24 -1.26 -4.48 114.28 103.72 2iur n THR 147 Ca 0.00 -0.44 -0.09 0.00 -2.27 0.00 0.00 64.05 61.24 2iur n THR 147 Cb 0.00 1.30 -0.05 0.00 -2.10 0.00 0.00 70.33 69.48 2iur n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iur s ARG 148 N -2.02 1.47 0.00 -0.78 1.70 -1.22 -5.15 118.95 112.95 2iur s ARG 148 Ca 0.29 -1.21 0.00 0.00 -0.47 0.00 0.00 55.73 54.34 2iur s ARG 148 Cb 0.20 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 35.04 2iur s ARG 148 CO 0.32 -0.60 0.00 0.41 -1.08 0.00 0.00 175.30 174.35 2iur n GLY 149 N -0.35 0.02 3.75 3.88 0.00 -1.26 -1.18 105.19 110.05 2iur n GLY 149 Ca -0.03 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 2iur n GLY 149 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2iur s LYS 150 N -1.27 4.31 0.16 1.61 2.20 -1.26 -4.43 119.74 121.06 2iur s LYS 150 Ca 0.00 2.24 -0.30 0.00 -0.36 0.00 0.00 55.97 57.55 2iur s LYS 150 Cb 0.00 -3.11 -0.07 0.00 -1.51 0.00 0.00 37.83 33.14 2iur s LYS 150 CO 0.00 -0.32 0.95 0.50 -0.36 0.00 0.00 175.35 176.12 2iur s ARG 151 N -0.78 4.75 -0.22 4.03 3.52 -1.26 -1.84 118.95 127.15 2iur s ARG 151 Ca 0.56 1.46 -0.01 0.00 -0.13 0.00 0.00 55.73 57.60 2iur s ARG 151 Cb -0.40 -3.34 0.06 0.00 -1.56 0.00 0.00 34.95 29.71 2iur s ARG 151 CO 0.46 0.33 0.00 -1.12 -0.81 0.00 0.00 175.30 174.16 2iur s SER 152 N -0.45 3.45 0.02 -2.12 0.01 0.39 -4.96 113.70 110.04 2iur s SER 152 Ca 0.44 -1.07 -0.21 0.00 1.31 0.00 0.00 55.95 56.42 2iur s SER 152 Cb -0.24 -0.88 -0.06 0.00 0.21 0.00 0.00 66.02 65.05 2iur s SER 152 CO 0.30 -0.29 0.62 -1.81 0.41 0.00 0.00 173.24 172.48 2iur s ASP 153 N 1.62 7.03 0.05 2.44 1.01 -1.26 -0.95 116.67 126.61 2iur s ASP 153 Ca -0.02 1.22 -0.05 0.00 0.71 0.00 0.00 52.55 54.42 2iur s ASP 153 Cb -0.18 -2.38 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 2iur s ASP 153 CO -0.09 0.11 0.08 0.68 0.21 0.00 0.00 175.17 176.16 2iur s VAL 154 N -0.30 0.16 -0.14 -1.27 -7.23 -0.40 -1.26 120.40 109.96 2iur s VAL 154 Ca 0.32 -1.29 -0.06 0.00 -1.81 0.00 0.00 61.98 59.14 2iur s VAL 154 Cb -0.19 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 2iur s VAL 154 CO 0.18 -0.71 0.06 -0.69 -0.31 0.00 0.00 175.10 173.64 2iur s VAL 155 N -3.17 4.82 -0.02 1.32 1.01 -0.38 -1.56 120.40 122.43 2iur s VAL 155 Ca -0.00 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.97 2iur s VAL 155 Cb 0.02 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2iur s VAL 155 CO -0.07 0.54 -0.11 -1.61 0.00 0.00 0.00 175.10 173.86 2iur s GLU 156 N -0.36 2.50 -0.21 2.72 2.02 0.03 -0.03 118.70 125.38 2iur s GLU 156 Ca 0.09 -0.72 -0.06 0.00 0.02 0.00 0.00 54.97 54.30 2iur s GLU 156 Cb -0.12 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 2iur s GLU 156 CO 0.02 0.61 0.04 0.08 0.02 0.00 0.00 175.26 176.03 2iur s VAL 157 N -0.88 4.27 0.03 2.63 1.01 0.32 -1.14 120.40 126.64 2iur s VAL 157 Ca 0.14 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.01 2iur s VAL 157 Cb -0.11 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 2iur s VAL 157 CO 0.04 0.41 -0.25 0.26 0.00 0.00 0.00 175.10 175.55 2iur s TRP 158 N 1.04 2.24 0.04 5.22 0.52 0.01 -0.57 118.94 127.43 2iur s TRP 158 Ca 0.03 -0.41 -0.30 0.00 0.02 0.00 0.00 56.10 55.43 2iur s TRP 158 Cb -0.14 -1.37 -0.06 0.00 -1.15 0.00 0.00 33.47 30.74 2iur s TRP 158 CO 0.02 0.07 1.37 0.34 0.02 0.00 0.00 176.95 178.78 2iur s ASP 159 N -1.03 6.87 0.28 2.95 -1.08 0.15 -0.59 116.67 124.21 2iur s ASP 159 Ca 0.11 2.16 0.01 0.00 -0.52 0.00 0.00 52.55 54.30 2iur s ASP 159 Cb -0.10 -2.57 0.40 0.00 -1.46 0.00 0.00 42.92 39.19 2iur s ASP 159 CO 0.01 -0.67 1.74 0.00 0.52 0.00 0.00 175.17 176.77 2iur h ALA 160 N 7.43 1.11 0.04 3.66 0.00 -1.60 -0.17 119.26 129.74 2iur h ALA 160 Ca -0.39 -0.31 -0.28 0.00 0.00 0.00 0.00 54.91 53.92 2iur h ALA 160 Cb 1.19 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2iur h ALA 160 CO 0.88 0.55 -1.53 -0.44 0.00 0.00 0.00 179.25 178.71 2iur h ASP 161 N 0.53 0.14 0.43 0.00 3.32 -1.92 -3.33 116.42 115.58 2iur h ASP 161 Ca 0.09 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2iur h ASP 161 Cb 0.58 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2iur h ASP 161 CO 0.04 1.19 -0.89 0.29 -1.72 0.00 0.00 179.24 178.15 2iur n LYS 162 N -3.26 0.20 -3.90 3.56 4.76 -1.24 -0.49 118.16 117.80 2iur n LYS 162 Ca -0.14 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.06 2iur n LYS 162 Cb 1.02 -1.57 -0.01 0.00 -1.84 0.00 0.00 35.03 32.63 2iur n LYS 162 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2iur n LEU 163 N -1.82 -2.41 -4.34 -0.35 4.77 -0.08 -4.89 117.00 107.89 2iur n LEU 163 Ca 0.03 -0.97 -0.27 0.00 -0.03 0.00 0.00 56.01 54.77 2iur n LEU 163 Cb 0.40 -2.31 -0.13 0.00 -2.33 0.00 0.00 43.42 39.05 2iur n LEU 163 CO 0.39 0.43 -0.55 0.42 -1.33 0.00 0.00 177.39 176.75 2iur s THR 164 N -3.90 2.00 0.21 -5.08 -4.23 -1.23 -4.94 115.64 98.48 2iur s THR 164 Ca 0.00 -1.59 -0.30 0.00 -1.18 0.00 0.00 61.69 58.63 2iur s THR 164 Cb -0.00 -1.78 -0.09 0.00 1.34 0.00 0.00 72.50 71.98 2iur s THR 164 CO 0.87 0.09 1.24 0.12 -0.54 0.00 0.00 174.62 176.40 2iur s PHE 165 N -1.03 3.34 -0.06 3.99 5.36 -1.26 -0.67 117.98 127.64 2iur s PHE 165 Ca 0.11 1.37 -0.03 0.00 -0.96 0.00 0.00 56.93 57.42 2iur s PHE 165 Cb -0.10 -3.50 -0.03 0.00 -0.34 0.00 0.00 43.02 39.05 2iur s PHE 165 CO 0.04 -1.46 -0.07 0.39 -1.46 0.00 0.00 175.22 172.67 2iur n GLU 166 N 2.27 0.12 -3.74 10.12 1.02 0.27 -4.89 120.64 125.81 2iur n GLU 166 Ca 0.04 0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 57.10 2iur n GLU 166 Cb 0.44 -0.75 -0.10 0.00 -0.02 0.00 0.00 31.44 31.01 2iur n GLU 166 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2iur s LYS 167 N -2.11 0.53 -0.12 3.49 2.20 -1.00 -4.99 119.74 117.73 2iur s LYS 167 Ca -0.08 0.28 -0.01 0.00 -0.36 0.00 0.00 55.97 55.80 2iur s LYS 167 Cb 0.03 0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.57 2iur s LYS 167 CO 0.10 -0.10 -0.08 -2.00 -0.36 0.00 0.00 175.35 172.92 2iur s GLU 168 N -0.33 3.31 -0.17 4.03 2.12 -1.26 -0.52 118.70 125.88 2iur s GLU 168 Ca -0.05 -0.58 -0.00 0.00 0.36 0.00 0.00 54.97 54.70 2iur s GLU 168 Cb -0.03 -2.73 0.00 0.00 0.26 0.00 0.00 34.13 31.63 2iur s GLU 168 CO 0.02 0.36 -0.14 0.42 -0.54 0.00 0.00 175.26 175.38 2iur s ILE 169 N 0.00 2.64 0.19 -3.70 1.01 0.96 -5.00 121.20 117.31 2iur s ILE 169 Ca -0.01 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.58 2iur s ILE 169 Cb -0.14 -2.13 -0.08 0.00 0.01 0.00 0.00 42.46 40.12 2iur s ILE 169 CO 0.03 0.50 1.08 -0.44 0.00 0.00 0.00 174.94 176.12 2iur s SER 170 N 1.06 7.30 0.27 3.58 0.01 -1.26 -1.25 113.70 123.41 2iur s SER 170 Ca -0.01 2.09 0.10 0.00 1.31 0.00 0.00 55.95 59.45 2iur s SER 170 Cb -0.15 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.43 2iur s SER 170 CO -0.04 -0.18 -0.07 -0.76 0.41 0.00 0.00 173.24 172.60 2iur s LEU 171 N -0.56 3.00 0.64 2.44 1.43 -0.39 -4.35 118.68 120.89 2iur s LEU 171 Ca 0.48 -0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 2iur s LEU 171 Cb -0.29 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 2iur s LEU 171 CO 0.35 0.02 1.19 -2.16 0.23 0.00 0.00 176.35 175.98 2iur s PRO 172 N -3.59 2.73 -1.14 1.29 0.04 -1.26 -4.38 135.00 128.70 2iur s PRO 172 Ca 0.31 1.73 -0.08 0.00 0.04 0.00 0.00 61.00 62.99 2iur s PRO 172 Cb -0.06 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 2iur s PRO 172 CO 0.18 -1.37 2.84 -0.35 0.04 0.00 0.00 177.00 178.34 2iur n PRO 173 N -2.03 2.95 -0.56 0.56 -0.04 -1.26 -3.70 135.00 130.92 2iur n PRO 173 Ca 0.13 -1.76 -0.00 0.00 -0.04 0.00 0.00 63.50 61.83 2iur n PRO 173 Cb 0.50 -2.54 -0.00 0.00 -0.04 0.00 0.00 33.50 31.42 2iur n PRO 173 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2iur n LYS 174 N 3.51 0.00 -1.91 0.54 2.85 -1.26 -5.02 118.16 116.87 2iur n LYS 174 Ca 0.63 -0.57 -0.39 0.00 -1.05 0.00 0.00 58.31 56.93 2iur n LYS 174 Cb 0.33 -0.20 0.02 0.00 -0.65 0.00 0.00 35.03 34.52 2iur n LYS 174 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2iur s ARG 175 N 0.00 3.52 0.17 -1.58 1.04 -1.24 -0.58 118.95 120.27 2iur s ARG 175 Ca 0.01 2.20 -0.32 0.00 -1.04 0.00 0.00 55.73 56.58 2iur s ARG 175 Cb 0.02 -2.47 -0.12 0.00 -2.04 0.00 0.00 34.95 30.33 2iur s ARG 175 CO -0.01 -0.87 1.73 1.55 -0.04 0.00 0.00 175.30 177.66 2iur n VAL 176 N -0.52 0.12 -3.69 4.99 3.14 -0.29 -4.62 118.33 117.46 2iur n VAL 176 Ca 0.07 -0.02 -0.38 0.00 -2.96 0.00 0.00 64.34 61.05 2iur n VAL 176 Cb 0.44 -1.93 -0.12 0.00 -1.06 0.00 0.00 33.84 31.17 2iur n VAL 176 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2iur s GLN 177 N 1.64 3.07 -0.08 1.45 -0.21 -1.26 -5.03 119.66 119.24 2iur s GLN 177 Ca 0.78 -0.89 -0.31 0.00 0.02 0.00 0.00 55.36 54.96 2iur s GLN 177 Cb -0.54 -3.51 0.11 0.00 1.00 0.00 0.00 33.01 30.07 2iur s GLN 177 CO 0.35 -0.51 1.38 0.20 -2.12 0.00 0.00 175.29 174.59 2iur s GLY 178 N 1.54 -0.27 0.76 3.09 0.00 -1.26 -5.14 107.32 106.03 2iur s GLY 178 Ca 0.03 0.33 -0.13 0.00 0.00 0.00 0.00 44.72 44.94 2iur s GLY 178 CO 0.05 5.27 1.14 1.08 0.00 0.00 0.00 173.10 180.64 2iur s LEU 179 N -3.73 3.18 -1.44 0.66 1.43 -1.26 -4.86 118.68 112.65 2iur s LEU 179 Ca 0.28 2.10 -0.09 0.00 -1.03 0.00 0.00 54.13 55.39 2iur s LEU 179 Cb 0.02 -4.56 0.04 0.00 0.03 0.00 0.00 46.19 41.72 2iur s LEU 179 CO -0.04 -2.20 2.47 0.59 0.23 0.00 0.00 176.35 177.41 2iur n ASN 180 N -3.11 7.10 -4.77 2.29 3.02 -1.26 -4.95 115.26 113.58 2iur n ASN 180 Ca 0.11 -2.89 -0.41 0.00 -0.03 0.00 0.00 54.58 51.37 2iur n ASN 180 Cb 0.52 -1.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.16 2iur n ASN 180 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2iur s TYR 181 N 0.97 3.19 0.25 3.10 1.51 -1.26 -4.51 117.35 120.60 2iur s TYR 181 Ca 0.56 1.48 -0.03 0.00 -1.01 0.00 0.00 57.07 58.07 2iur s TYR 181 Cb 0.16 -3.58 0.47 0.00 -0.11 0.00 0.00 41.96 38.91 2iur s TYR 181 CO -0.06 -1.53 1.76 -0.44 -1.11 0.00 0.00 175.55 174.17 2iur h ASP 182 N 3.60 0.47 0.00 2.29 3.32 -1.93 -2.63 116.42 121.53 2iur h ASP 182 Ca -0.48 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2iur h ASP 182 Cb 1.22 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2iur h ASP 182 CO 0.66 0.21 0.00 0.61 -1.72 0.00 0.00 179.24 179.00 2iur n GLY 183 N -1.32 -0.69 0.07 2.75 0.00 -1.26 -2.63 105.19 102.11 2iur n GLY 183 Ca 0.15 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.18 2iur n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2iur n LEU 184 N -0.91 0.68 -3.24 0.99 4.77 -0.99 -0.10 117.00 118.19 2iur n LEU 184 Ca 0.14 0.38 -0.03 0.00 -0.03 0.00 0.00 56.01 56.46 2iur n LEU 184 Cb 0.06 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 2iur n LEU 184 CO 0.10 -0.09 0.01 0.12 -1.33 0.00 0.00 177.39 176.20 2iur s PHE 185 N -3.11 -1.38 0.17 -1.77 5.36 -1.08 -1.62 117.98 114.54 2iur s PHE 185 Ca 0.09 0.50 0.02 0.00 -0.96 0.00 0.00 56.93 56.59 2iur s PHE 185 Cb 0.14 0.07 -0.01 0.00 -0.34 0.00 0.00 43.02 42.88 2iur s PHE 185 CO 0.65 -1.05 0.08 0.54 -1.46 0.00 0.00 175.22 173.98 2iur n ARG 186 N 5.15 0.57 -3.90 10.12 5.12 0.07 -4.83 116.66 128.96 2iur n ARG 186 Ca 0.05 -1.49 -0.09 0.00 -1.93 0.00 0.00 57.85 54.39 2iur n ARG 186 Cb 0.52 0.95 -0.08 0.00 -1.16 0.00 0.00 32.46 32.68 2iur n ARG 186 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2iur s GLN 187 N -2.65 0.72 0.81 5.56 -2.07 -1.26 -0.92 119.66 119.85 2iur s GLN 187 Ca 0.12 -0.87 -0.11 0.00 -1.82 0.00 0.00 55.36 52.68 2iur s GLN 187 Cb 0.01 0.29 0.09 0.00 -1.09 0.00 0.00 33.01 32.30 2iur s GLN 187 CO 0.08 -0.20 1.13 0.95 -1.32 0.00 0.00 175.29 175.93 2iur s THR 188 N -3.29 2.71 0.34 3.63 -4.23 -0.27 -4.80 115.64 109.73 2iur s THR 188 Ca 0.01 0.25 0.04 0.00 -1.18 0.00 0.00 61.69 60.81 2iur s THR 188 Cb 0.03 -2.56 0.29 0.00 1.34 0.00 0.00 72.50 71.59 2iur s THR 188 CO -0.08 -0.28 1.93 0.74 -0.54 0.00 0.00 174.62 176.40 2iur h THR 189 N -1.24 1.03 0.00 3.99 2.02 -1.70 -0.12 112.91 116.89 2iur h THR 189 Ca -0.44 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2iur h THR 189 Cb 1.25 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2iur h THR 189 CO 0.47 0.16 0.00 -0.90 0.37 0.00 0.00 175.52 175.62 2iur n ASP 190 N -4.49 0.00 0.00 4.18 5.68 -0.49 -4.90 116.55 116.54 2iur n ASP 190 Ca 0.12 -0.68 0.00 0.00 -0.50 0.00 0.00 54.79 53.74 2iur n ASP 190 Cb 0.23 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 2iur n ASP 190 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2iur n GLY 191 N 1.06 0.48 0.13 6.12 0.00 -0.06 -4.88 105.19 108.03 2iur n GLY 191 Ca 0.20 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 2iur n GLY 191 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iur h LYS 192 N 1.21 0.00 -5.22 1.61 1.57 -1.90 -3.45 116.57 110.39 2iur h LYS 192 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 2iur h LYS 192 Cb 0.19 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.19 2iur h LYS 192 CO 0.00 0.32 -0.83 -0.06 -0.57 0.00 0.00 179.45 178.31 2iur s PHE 193 N -3.02 1.64 0.02 -1.35 0.40 -1.26 -1.80 117.98 112.62 2iur s PHE 193 Ca 0.01 -0.47 -0.23 0.00 -0.60 0.00 0.00 56.93 55.64 2iur s PHE 193 Cb 0.08 -1.11 -0.05 0.00 0.51 0.00 0.00 43.02 42.44 2iur s PHE 193 CO 0.77 -0.16 0.68 0.42 0.70 0.00 0.00 175.22 177.63 2iur s ILE 194 N 0.07 4.81 -0.16 0.64 1.01 -0.24 -1.11 121.20 126.22 2iur s ILE 194 Ca -0.04 1.44 0.00 0.00 0.00 0.00 0.00 60.65 62.05 2iur s ILE 194 Cb -0.11 -4.02 0.03 0.00 0.01 0.00 0.00 42.46 38.37 2iur s ILE 194 CO 0.02 0.39 -0.10 -0.69 0.00 0.00 0.00 174.94 174.56 2iur s VAL 195 N -0.14 1.43 0.12 2.92 1.01 -0.10 -0.88 120.40 124.76 2iur s VAL 195 Ca 0.35 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.68 2iur s VAL 195 Cb -0.19 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2iur s VAL 195 CO 0.20 0.30 -0.12 -1.48 0.00 0.00 0.00 175.10 174.00 2iur s LEU 196 N 1.52 2.43 -0.10 3.92 0.05 -0.41 -0.75 118.68 125.33 2iur s LEU 196 Ca 0.02 -0.85 -0.21 0.00 0.05 0.00 0.00 54.13 53.14 2iur s LEU 196 Cb -0.14 -0.40 -0.04 0.00 -2.05 0.00 0.00 46.19 43.56 2iur s LEU 196 CO -0.09 -0.23 0.58 -1.58 -0.55 0.00 0.00 176.35 174.48 2iur s GLN 197 N -2.95 4.37 0.09 1.48 2.00 -0.64 -0.17 119.66 123.84 2iur s GLN 197 Ca 0.09 0.65 0.02 0.00 -2.00 0.00 0.00 55.36 54.12 2iur s GLN 197 Cb -0.02 -3.45 -0.04 0.00 0.80 0.00 0.00 33.01 30.29 2iur s GLN 197 CO 0.01 0.08 0.16 -0.80 -0.50 0.00 0.00 175.29 174.25 2iur s ASN 198 N 0.75 5.93 -0.18 6.67 0.01 0.19 -1.13 114.94 127.18 2iur s ASN 198 Ca 0.31 0.10 -0.08 0.00 -0.71 0.00 0.00 52.86 52.49 2iur s ASN 198 Cb -0.16 -1.71 0.08 0.00 0.41 0.00 0.00 41.25 39.87 2iur s ASN 198 CO 0.14 0.15 0.41 0.00 -1.51 0.00 0.00 177.10 176.28 2iur s ALA 199 N -1.52 -1.09 -0.14 0.60 0.00 0.25 -2.95 121.76 116.92 2iur s ALA 199 Ca 0.32 1.49 0.06 0.00 0.00 0.00 0.00 51.96 53.83 2iur s ALA 199 Cb -0.12 -1.16 -0.08 0.00 0.00 0.00 0.00 23.12 21.76 2iur s ALA 199 CO 0.25 -0.56 0.19 -1.13 0.00 0.00 0.00 175.76 174.50 2iur n SER 200 N 4.96 2.02 -0.77 0.00 3.41 -1.26 -4.68 113.62 117.30 2iur n SER 200 Ca -0.14 -0.31 0.11 0.00 -0.26 0.00 0.00 58.87 58.28 2iur n SER 200 Cb 0.52 1.14 0.06 0.00 -0.26 0.00 0.00 64.21 65.67 2iur n SER 200 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2iur n PRO 201 N -1.43 1.88 -1.70 4.33 -0.04 -1.26 -5.11 135.00 131.67 2iur n PRO 201 Ca -0.00 -1.56 -0.43 0.00 -0.04 0.00 0.00 63.50 61.47 2iur n PRO 201 Cb 0.12 -1.45 -0.01 0.00 -0.04 0.00 0.00 33.50 32.12 2iur n PRO 201 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2iur n ALA 202 N 0.82 1.38 -2.74 0.55 0.00 -1.26 -4.95 120.51 114.31 2iur n ALA 202 Ca 0.12 0.36 -0.36 0.00 0.00 0.00 0.00 53.44 53.57 2iur n ALA 202 Cb 0.54 -2.27 -0.06 0.00 0.00 0.00 0.00 19.45 17.66 2iur n ALA 202 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2iur s THR 203 N -0.99 5.30 0.21 0.00 -4.23 -1.26 -4.09 115.64 110.58 2iur s THR 203 Ca 0.56 0.29 -0.14 0.00 -1.18 0.00 0.00 61.69 61.22 2iur s THR 203 Cb -0.57 -3.55 0.01 0.00 1.34 0.00 0.00 72.50 69.73 2iur s THR 203 CO 0.61 0.45 0.47 -0.94 -0.54 0.00 0.00 174.62 174.67 2iur s SER 204 N -1.46 -0.15 -0.17 3.99 1.04 -1.15 -3.52 113.70 112.28 2iur s SER 204 Ca 0.24 -0.70 -0.07 0.00 0.48 0.00 0.00 55.95 55.91 2iur s SER 204 Cb -0.13 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 2iur s SER 204 CO 0.13 -1.06 0.06 -0.63 0.98 0.00 0.00 173.24 172.72 2iur s ILE 205 N -3.94 4.74 -0.00 -1.02 1.01 -1.15 -0.64 121.20 120.20 2iur s ILE 205 Ca 0.15 -0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.62 2iur s ILE 205 Cb -0.00 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 2iur s ILE 205 CO 0.02 0.48 0.35 -0.83 0.00 0.00 0.00 174.94 174.96 2iur s GLY 206 N 0.18 2.38 -0.13 6.18 0.00 0.76 -0.27 107.32 116.42 2iur s GLY 206 Ca 0.04 -0.36 0.03 0.00 0.00 0.00 0.00 44.72 44.43 2iur s GLY 206 CO 0.01 -0.06 -0.21 -0.42 0.00 0.00 0.00 173.10 172.42 2iur s ILE 207 N -1.16 2.21 -0.13 0.90 -1.09 -1.24 -1.29 121.20 119.40 2iur s ILE 207 Ca 0.24 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 2iur s ILE 207 Cb -0.15 -1.88 -0.01 0.00 -1.58 0.00 0.00 42.46 38.84 2iur s ILE 207 CO 0.13 0.55 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.55 2iur s VAL 208 N 0.63 2.89 -0.45 2.92 1.01 -0.06 -0.30 120.40 127.04 2iur s VAL 208 Ca -0.11 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 60.92 2iur s VAL 208 Cb -0.16 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.03 2iur s VAL 208 CO 0.02 0.52 0.81 -0.62 0.00 0.00 0.00 175.10 175.84 2iur s ASP 209 N 0.47 6.44 0.12 3.32 -1.08 0.30 -1.08 116.67 125.15 2iur s ASP 209 Ca -0.10 -0.04 -0.15 0.00 -0.52 0.00 0.00 52.55 51.74 2iur s ASP 209 Cb -0.16 -2.40 -0.02 0.00 -1.46 0.00 0.00 42.92 38.88 2iur s ASP 209 CO 0.05 -0.93 1.56 0.58 0.52 0.00 0.00 175.17 176.94 2iur h VAL 210 N 5.99 1.27 -0.72 1.11 2.07 -1.64 -0.81 116.25 123.50 2iur h VAL 210 Ca -0.25 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.24 2iur h VAL 210 Cb 1.08 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 2iur h VAL 210 CO 0.97 0.35 0.47 0.00 0.02 0.00 0.00 177.57 179.38 2iur h ALA 211 N 0.87 0.93 0.00 1.67 0.00 -1.93 -3.00 119.26 117.81 2iur h ALA 211 Ca 0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2iur h ALA 211 Cb 0.51 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2iur h ALA 211 CO 0.03 0.29 -0.58 0.87 0.00 0.00 0.00 179.25 179.85 2iur h LYS 212 N 0.94 0.00 -2.61 0.00 1.57 -1.92 -3.47 116.57 111.07 2iur h LYS 212 Ca 0.28 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.84 2iur h LYS 212 Cb -0.05 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.30 2iur h LYS 212 CO -0.08 0.21 -0.32 0.41 -0.57 0.00 0.00 179.45 179.09 2iur n GLY 213 N 1.20 0.04 3.23 3.86 0.00 -0.34 -5.03 105.19 108.16 2iur n GLY 213 Ca 0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 2iur n GLY 213 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2iur s ASP 214 N -2.85 2.18 0.03 1.61 1.01 -1.04 -4.71 116.67 112.89 2iur s ASP 214 Ca 0.16 -0.60 -0.28 0.00 0.71 0.00 0.00 52.55 52.53 2iur s ASP 214 Cb -0.07 -0.12 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 2iur s ASP 214 CO 0.20 0.04 0.91 -0.47 0.21 0.00 0.00 175.17 176.06 2iur s TYR 215 N -1.08 3.70 0.00 4.23 5.04 -1.26 -0.54 117.35 127.44 2iur s TYR 215 Ca 0.04 1.63 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 2iur s TYR 215 Cb -0.09 -3.02 0.00 0.00 0.35 0.00 0.00 41.96 39.20 2iur s TYR 215 CO 0.03 0.10 0.00 0.28 -1.34 0.00 0.00 175.55 174.62 2iur n VAL 216 N 3.44 0.00 -3.70 3.14 0.31 0.59 -4.91 118.33 117.19 2iur n VAL 216 Ca 0.03 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.29 2iur n VAL 216 Cb 0.50 -0.10 -0.02 0.00 -0.91 0.00 0.00 33.84 33.31 2iur n VAL 216 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2iur s GLU 217 N 0.00 1.40 0.39 5.55 -1.05 -1.26 -5.02 118.70 118.71 2iur s GLU 217 Ca 0.00 -0.71 -0.26 0.00 -0.15 0.00 0.00 54.97 53.85 2iur s GLU 217 Cb 0.00 0.52 -0.09 0.00 -0.44 0.00 0.00 34.13 34.12 2iur s GLU 217 CO 0.00 -0.63 1.26 -0.51 0.95 0.00 0.00 175.26 176.32 2iur s ASP 218 N -2.84 6.45 -0.90 0.83 1.01 -1.26 -3.72 116.67 116.25 2iur s ASP 218 Ca 0.09 2.55 -0.18 0.00 0.71 0.00 0.00 52.55 55.72 2iur s ASP 218 Cb -0.03 -2.63 0.14 0.00 1.01 0.00 0.00 42.92 41.41 2iur s ASP 218 CO -0.00 -0.74 1.05 -0.69 0.21 0.00 0.00 175.17 175.00 2iur s VAL 219 N -1.29 4.87 -0.15 -1.27 1.01 0.63 -4.86 120.40 119.35 2iur s VAL 219 Ca 0.56 -1.69 0.29 0.00 0.00 0.00 0.00 61.98 61.14 2iur s VAL 219 Cb -0.36 -4.72 0.37 0.00 0.00 0.00 0.00 36.38 31.67 2iur s VAL 219 CO 0.46 -1.41 1.83 0.71 0.00 0.00 0.00 175.10 176.68 2iur h THR 220 N 5.66 0.00 0.00 3.92 1.35 -1.92 -2.85 112.91 119.07 2iur h THR 220 Ca 0.12 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2iur h THR 220 Cb 1.03 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2iur h THR 220 CO 1.05 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.32 2iur h ALA 221 N 2.02 1.00 -0.27 6.62 0.00 -1.94 -2.17 119.26 124.52 2iur h ALA 221 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2iur h ALA 221 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2iur h ALA 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2iur n ALA 222 N -2.05 2.47 -1.63 0.00 0.00 -1.09 -4.92 120.51 113.29 2iur n ALA 222 Ca -0.03 -0.55 -0.47 0.00 0.00 0.00 0.00 53.44 52.40 2iur n ALA 222 Cb 0.07 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 2iur n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2iur n ALA 223 N 0.38 0.29 -0.94 0.00 0.00 -0.82 -1.20 120.51 118.23 2iur n ALA 223 Ca 0.12 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2iur n ALA 223 Cb 0.28 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2iur n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iur n GLY 224 N 2.36 0.69 3.82 0.00 0.00 -1.26 -4.95 105.19 105.85 2iur n GLY 224 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 2iur n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iur s TRP 226 N -2.77 -0.99 0.00 0.00 -0.11 0.21 -4.88 118.94 110.40 2iur s TRP 226 Ca 0.26 1.91 0.00 0.00 1.22 0.00 0.00 56.10 59.49 2iur s TRP 226 Cb 0.00 0.55 0.00 0.00 -1.50 0.00 0.00 33.47 32.52 2iur s TRP 226 CO 0.15 -0.51 0.00 -1.13 -4.62 0.00 0.00 176.95 170.84 2iur n SER 227 N 4.64 0.00 -4.10 5.86 3.41 -1.26 -2.71 113.62 119.46 2iur n SER 227 Ca -0.18 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.11 2iur n SER 227 Cb 0.55 0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.36 2iur n SER 227 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2iur s VAL 228 N -3.02 1.98 -0.37 -3.33 1.01 0.86 -4.19 120.40 113.36 2iur s VAL 228 Ca 0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 2iur s VAL 228 Cb 0.00 -1.83 0.10 0.00 0.00 0.00 0.00 36.38 34.65 2iur s VAL 228 CO 0.00 0.48 0.11 -0.63 0.00 0.00 0.00 175.10 175.06 2iur s ILE 229 N 1.31 2.87 0.58 2.22 1.09 0.50 -4.49 121.20 125.27 2iur s ILE 229 Ca 0.04 -2.05 -0.20 0.00 -1.10 0.00 0.00 60.65 57.34 2iur s ILE 229 Cb -0.14 -2.96 -0.04 0.00 -1.06 0.00 0.00 42.46 38.27 2iur s ILE 229 CO -0.12 -0.56 1.30 -2.84 -0.10 0.00 0.00 174.94 172.62 2iur s PRO 230 N 1.07 3.00 -0.46 2.79 0.02 -1.26 -0.40 135.00 139.76 2iur s PRO 230 Ca 0.07 2.08 -0.18 0.00 0.02 0.00 0.00 61.00 62.99 2iur s PRO 230 Cb -0.21 -2.10 0.05 0.00 0.02 0.00 0.00 34.50 32.26 2iur s PRO 230 CO -0.05 -1.25 0.50 -0.65 -0.33 0.00 0.00 177.00 175.22 2iur s GLN 231 N -3.10 3.09 0.00 5.54 -0.21 -0.73 -4.84 119.66 119.41 2iur s GLN 231 Ca 0.75 -0.92 0.13 0.00 0.02 0.00 0.00 55.36 55.34 2iur s GLN 231 Cb -0.37 -4.05 0.61 0.00 1.00 0.00 0.00 33.01 30.20 2iur s GLN 231 CO 0.42 -1.03 1.36 -2.30 -2.12 0.00 0.00 175.29 171.62 2iur n PRO 232 N 5.74 0.11 -0.11 2.91 -0.02 -1.25 -2.41 135.00 139.98 2iur n PRO 232 Ca -0.08 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 61.73 2iur n PRO 232 Cb 0.46 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.71 2iur n PRO 232 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2iur n ASN 233 N -1.37 2.67 -4.00 2.55 6.94 -0.97 -4.92 115.26 116.15 2iur n ASN 233 Ca 0.05 -1.87 -0.11 0.00 -0.02 0.00 0.00 54.58 52.63 2iur n ASN 233 Cb 0.12 -0.14 -0.11 0.00 -2.36 0.00 0.00 39.78 37.29 2iur n ASN 233 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2iur s ARG 234 N -1.72 0.37 0.22 -3.83 0.52 -1.01 -5.08 118.95 108.41 2iur s ARG 234 Ca 0.35 -0.61 -0.00 0.00 -0.52 0.00 0.00 55.73 54.94 2iur s ARG 234 Cb 0.20 -0.05 0.19 0.00 0.52 0.00 0.00 34.95 35.82 2iur s ARG 234 CO 0.30 -0.01 1.55 -1.00 0.02 0.00 0.00 175.30 176.17 2iur h PRO 235 N 4.73 0.47 -0.71 3.54 0.13 -1.91 -3.39 132.00 134.87 2iur h PRO 235 Ca -0.33 -0.28 -0.32 0.00 -0.87 0.00 0.00 66.00 64.21 2iur h PRO 235 Cb 1.21 0.02 -0.29 0.00 0.13 0.00 0.00 31.00 32.07 2iur h PRO 235 CO 0.42 0.87 -0.84 2.89 -0.23 0.00 0.00 178.00 181.11 2iur n ARG 236 N -3.97 1.12 -4.28 0.86 1.85 -1.26 -1.40 116.66 109.58 2iur n ARG 236 Ca -0.02 -2.65 -0.23 0.00 -1.00 0.00 0.00 57.85 53.95 2iur n ARG 236 Cb 0.57 -0.89 -0.12 0.00 -1.05 0.00 0.00 32.46 30.97 2iur n ARG 236 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2iur s SER 237 N -2.18 2.47 0.20 2.89 0.01 -1.26 -1.20 113.70 114.63 2iur s SER 237 Ca 0.27 -0.72 -0.16 0.00 1.31 0.00 0.00 55.95 56.65 2iur s SER 237 Cb 0.40 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.52 2iur s SER 237 CO -0.03 0.02 0.50 0.72 0.41 0.00 0.00 173.24 174.86 2iur s PHE 238 N -1.38 -0.00 0.30 2.43 -0.12 -0.66 -1.77 117.98 116.78 2iur s PHE 238 Ca 0.08 -0.35 0.10 0.00 -0.05 0.00 0.00 56.93 56.71 2iur s PHE 238 Cb -0.09 0.33 -0.06 0.00 -0.63 0.00 0.00 43.02 42.58 2iur s PHE 238 CO 0.04 -0.92 -0.15 -1.64 -0.05 0.00 0.00 175.22 172.50 2iur s MET 239 N -3.91 1.70 0.03 1.99 -1.94 0.47 -0.64 119.30 117.00 2iur s MET 239 Ca 0.12 -1.82 -0.01 0.00 -1.71 0.00 0.00 55.69 52.26 2iur s MET 239 Cb -0.01 -1.66 -0.02 0.00 2.01 0.00 0.00 34.83 35.14 2iur s MET 239 CO -0.00 0.23 -0.01 -0.08 -0.01 0.00 0.00 175.02 175.14 2iur s THR 240 N -2.61 0.15 -0.14 2.05 -1.32 -0.11 -0.37 115.64 113.28 2iur s THR 240 Ca 0.30 -1.22 -0.18 0.00 -1.21 0.00 0.00 61.69 59.39 2iur s THR 240 Cb -0.01 -0.75 -0.04 0.00 -1.51 0.00 0.00 72.50 70.19 2iur s THR 240 CO 0.15 -0.67 0.46 -0.63 -2.21 0.00 0.00 174.62 171.71 2iur s ILE 241 N -2.40 5.19 0.28 5.08 1.01 -1.10 -1.24 121.20 128.02 2iur s ILE 241 Ca -0.07 0.89 0.08 0.00 0.00 0.00 0.00 60.65 61.55 2iur s ILE 241 Cb -0.03 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2iur s ILE 241 CO -0.04 0.30 0.11 0.00 0.00 0.00 0.00 174.94 175.31 2iur h GLY 243 N 1.66 0.00 -0.13 0.00 0.00 -1.61 -1.29 103.07 101.70 2iur h GLY 243 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2iur h GLY 243 CO 0.61 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.24 2iur n ASP 244 N -2.34 1.13 0.00 0.19 5.75 -1.26 -4.89 116.55 115.12 2iur n ASP 244 Ca -0.01 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 2iur n ASP 244 Cb 0.09 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 2iur n ASP 244 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2iur n GLY 245 N 1.12 0.74 2.04 6.12 0.00 -0.49 -4.79 105.19 109.94 2iur n GLY 245 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 2iur n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iur n GLY 246 N -2.34 3.04 3.42 -0.02 0.00 -1.25 -0.23 105.19 107.82 2iur n GLY 246 Ca 0.00 -2.25 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 2iur n GLY 246 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iur s LEU 247 N 0.00 2.53 -0.20 0.99 1.43 -1.26 -0.99 118.68 121.17 2iur s LEU 247 Ca 0.14 -0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 52.88 2iur s LEU 247 Cb -0.01 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 2iur s LEU 247 CO 0.09 0.33 0.08 -0.22 0.23 0.00 0.00 176.35 176.86 2iur s LEU 248 N -0.66 3.77 -0.15 1.79 2.96 -0.37 -0.97 118.68 125.04 2iur s LEU 248 Ca 0.10 0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 53.96 2iur s LEU 248 Cb -0.11 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 2iur s LEU 248 CO 0.00 0.11 0.09 -0.89 -1.32 0.00 0.00 176.35 174.34 2iur s THR 249 N 0.74 5.03 -0.12 3.68 2.01 0.72 -0.94 115.64 126.76 2iur s THR 249 Ca 0.04 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.11 2iur s THR 249 Cb -0.13 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.16 2iur s THR 249 CO 0.02 0.53 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.62 2iur s ILE 250 N -0.25 2.03 -0.22 1.82 -1.09 0.18 -1.58 121.20 122.09 2iur s ILE 250 Ca 0.09 -0.98 -0.04 0.00 -2.23 0.00 0.00 60.65 57.50 2iur s ILE 250 Cb -0.12 -1.78 -0.01 0.00 -1.58 0.00 0.00 42.46 38.97 2iur s ILE 250 CO 0.01 0.55 -0.04 0.20 -1.23 0.00 0.00 174.94 174.43 2iur s ASN 251 N 0.65 4.30 0.26 3.58 0.01 -0.23 -1.65 114.94 121.86 2iur s ASN 251 Ca -0.11 -0.39 -0.10 0.00 -0.71 0.00 0.00 52.86 51.55 2iur s ASN 251 Cb -0.16 -1.74 -0.07 0.00 0.41 0.00 0.00 41.25 39.69 2iur s ASN 251 CO 0.02 -0.01 0.59 -0.76 -1.51 0.00 0.00 177.10 175.43 2iur s LEU 252 N 1.44 4.12 0.91 0.60 1.43 -0.34 -0.33 118.68 126.51 2iur s LEU 252 Ca 0.05 0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 54.00 2iur s LEU 252 Cb -0.14 -3.75 0.19 0.00 0.03 0.00 0.00 46.19 42.52 2iur s LEU 252 CO -0.03 -0.12 1.24 -0.83 0.23 0.00 0.00 176.35 176.84 2iur s GLY 253 N -2.46 1.79 0.33 -3.19 0.00 0.04 -4.67 107.32 99.15 2iur s GLY 253 Ca 0.48 -1.43 0.25 0.00 0.00 0.00 0.00 44.72 44.02 2iur s GLY 253 CO 0.22 -0.69 1.76 0.83 0.00 0.00 0.00 173.10 175.22 2iur h GLU 254 N -1.38 0.00 -0.02 2.90 5.08 -1.99 -0.61 114.58 118.57 2iur h GLU 254 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2iur h GLU 254 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2iur h GLU 254 CO 0.36 0.00 -0.20 -0.40 -1.00 0.00 0.00 179.01 177.77 2iur n ASP 255 N -2.38 1.80 0.00 1.42 5.68 -1.26 -4.97 116.55 116.84 2iur n ASP 255 Ca 0.00 -1.43 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 2iur n ASP 255 Cb 0.16 0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 2iur n ASP 255 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2iur n GLY 256 N 1.32 0.77 3.90 6.12 0.00 -0.23 -4.96 105.19 112.11 2iur n GLY 256 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 2iur n GLY 256 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iur s LYS 257 N -0.40 3.53 -0.09 1.61 1.02 -1.26 -4.79 119.74 119.35 2iur s LYS 257 Ca 0.00 0.24 -0.29 0.00 0.02 0.00 0.00 55.97 55.93 2iur s LYS 257 Cb 0.00 -2.35 -0.05 0.00 -0.52 0.00 0.00 37.83 34.91 2iur s LYS 257 CO 0.00 -0.25 1.72 0.08 -0.92 0.00 0.00 175.35 175.98 2iur s VAL 258 N -2.78 3.50 -0.09 3.17 1.01 -1.26 -0.78 120.40 123.16 2iur s VAL 258 Ca 0.48 0.59 -0.05 0.00 0.00 0.00 0.00 61.98 63.00 2iur s VAL 258 Cb -0.10 -3.42 -0.27 0.00 0.00 0.00 0.00 36.38 32.58 2iur s VAL 258 CO 0.46 -0.10 0.50 0.00 0.00 0.00 0.00 175.10 175.95 2iur h ALA 259 N 10.24 0.41 -2.99 5.51 0.00 -0.95 -3.45 119.26 128.03 2iur h ALA 259 Ca -0.40 -1.33 0.07 0.00 0.00 0.00 0.00 54.91 53.25 2iur h ALA 259 Cb 1.18 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 19.53 2iur h ALA 259 CO 0.96 1.28 0.24 -1.54 0.00 0.00 0.00 179.25 180.19 2iur s SER 260 N -6.98 -0.25 0.15 0.00 1.04 -0.98 -5.01 113.70 101.67 2iur s SER 260 Ca -0.18 -0.62 -0.17 0.00 0.48 0.00 0.00 55.95 55.46 2iur s SER 260 Cb 0.07 0.73 0.04 0.00 0.10 0.00 0.00 66.02 66.95 2iur s SER 260 CO 0.80 -1.35 0.47 0.00 0.98 0.00 0.00 173.24 174.14 2iur s GLN 261 N -3.87 1.20 0.12 4.02 -2.07 -1.26 -1.06 119.66 116.74 2iur s GLN 261 Ca 0.11 -0.74 -0.15 0.00 -1.82 0.00 0.00 55.36 52.77 2iur s GLN 261 Cb -0.06 0.50 0.03 0.00 -1.09 0.00 0.00 33.01 32.39 2iur s GLN 261 CO 0.07 -0.49 0.37 -1.54 -1.32 0.00 0.00 175.29 172.38 2iur s SER 262 N -2.82 -0.18 -0.09 12.60 1.04 -0.62 -4.99 113.70 118.63 2iur s SER 262 Ca 0.05 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.15 2iur s SER 262 Cb 0.01 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.59 2iur s SER 262 CO -0.09 -0.82 -0.15 -0.60 0.98 0.00 0.00 173.24 172.56 2iur s ARG 263 N -3.74 2.13 0.96 4.02 3.52 -1.26 -0.20 118.95 124.38 2iur s ARG 263 Ca 0.03 -0.54 -0.13 0.00 -0.13 0.00 0.00 55.73 54.96 2iur s ARG 263 Cb 0.02 -1.78 0.17 0.00 -1.56 0.00 0.00 34.95 31.80 2iur s ARG 263 CO -0.11 -0.01 1.13 -1.54 -0.81 0.00 0.00 175.30 173.95 2iur s SER 264 N 0.84 3.03 1.01 -2.12 1.04 -0.14 -4.99 113.70 112.36 2iur s SER 264 Ca -0.10 0.98 -0.12 0.00 0.48 0.00 0.00 55.95 57.18 2iur s SER 264 Cb -0.15 -1.54 0.19 0.00 0.10 0.00 0.00 66.02 64.62 2iur s SER 264 CO 0.01 -2.85 1.09 -0.54 0.98 0.00 0.00 173.24 171.93 2iur s LYS 265 N -5.21 0.36 0.12 4.02 1.02 -1.26 -4.60 119.74 114.18 2iur s LYS 265 Ca 0.65 0.50 -0.31 0.00 0.02 0.00 0.00 55.97 56.83 2iur s LYS 265 Cb -0.15 -1.73 -0.11 0.00 -0.52 0.00 0.00 37.83 35.32 2iur s LYS 265 CO 0.55 -2.78 1.84 0.94 -0.92 0.00 0.00 175.35 174.98 2iur n GLN 266 N -4.20 2.78 -0.09 1.68 7.27 -1.26 -4.44 117.38 119.12 2iur n GLN 266 Ca 0.05 1.01 -0.21 0.00 0.07 0.00 0.00 57.00 57.92 2iur n GLN 266 Cb 0.57 -2.90 -0.12 0.00 2.41 0.00 0.00 30.24 30.20 2iur n GLN 266 CO 0.00 0.00 0.00 1.98 0.07 0.00 0.00 177.06 179.11 2iur h MET 267 N 8.51 0.03 -4.96 3.69 1.85 -0.92 -3.47 114.93 119.66 2iur h MET 267 Ca -0.46 -0.06 -0.32 0.00 -0.61 0.00 0.00 59.70 58.25 2iur h MET 267 Cb 1.22 0.02 -0.18 0.00 0.43 0.00 0.00 31.60 33.09 2iur h MET 267 CO 0.95 1.03 -0.74 -0.59 -0.40 0.00 0.00 176.91 177.16 2iur s PHE 268 N -2.38 1.04 -0.31 1.39 -0.12 -0.95 -4.78 117.98 111.87 2iur s PHE 268 Ca -0.27 -0.63 -0.29 0.00 -0.05 0.00 0.00 56.93 55.69 2iur s PHE 268 Cb 0.05 -0.57 0.01 0.00 -0.63 0.00 0.00 43.02 41.88 2iur s PHE 268 CO 0.62 -0.00 1.18 0.45 -0.05 0.00 0.00 175.22 177.41 2iur s SER 269 N -2.31 6.82 0.24 1.98 0.15 -1.26 -4.42 113.70 114.90 2iur s SER 269 Ca 0.03 1.12 -0.07 0.00 0.70 0.00 0.00 55.95 57.74 2iur s SER 269 Cb -0.04 -2.54 0.25 0.00 -1.71 0.00 0.00 66.02 61.98 2iur s SER 269 CO 0.00 -0.97 1.90 0.58 1.20 0.00 0.00 173.24 175.96 2iur h VAL 270 N 5.83 1.21 -0.09 4.45 2.07 -1.89 0.10 116.25 127.93 2iur h VAL 270 Ca -0.23 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 2iur h VAL 270 Cb 1.08 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2iur h VAL 270 CO 1.03 0.22 -0.32 0.50 0.02 0.00 0.00 177.57 179.02 2iur h LYS 271 N 1.22 0.37 0.00 1.57 3.64 -1.97 -3.33 116.57 118.07 2iur h LYS 271 Ca 0.35 -0.29 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 2iur h LYS 271 Cb -0.09 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2iur h LYS 271 CO -0.09 0.92 -1.83 -0.25 -2.27 0.00 0.00 179.45 175.92 2iur n ASP 272 N -4.41 0.21 -2.92 4.20 8.00 -1.16 -4.70 116.55 115.77 2iur n ASP 272 Ca -0.08 0.08 -0.13 0.00 0.71 0.00 0.00 54.79 55.38 2iur n ASP 272 Cb 0.50 1.47 0.04 0.00 -0.02 0.00 0.00 41.12 43.11 2iur n ASP 272 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2iur n ASP 273 N -2.44 -1.10 -4.77 -2.24 2.03 0.01 -5.01 116.55 103.04 2iur n ASP 273 Ca -0.07 -3.40 -0.41 0.00 0.52 0.00 0.00 54.79 51.42 2iur n ASP 273 Cb 0.66 0.90 -0.00 0.00 -0.72 0.00 0.00 41.12 41.95 2iur n ASP 273 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2iur n PRO 274 N 0.41 2.68 -3.54 -0.67 -0.04 -1.18 -4.49 135.00 128.18 2iur n PRO 274 Ca 0.14 0.94 -0.29 0.00 -0.04 0.00 0.00 63.50 64.25 2iur n PRO 274 Cb 0.68 -2.69 -0.04 0.00 -0.04 0.00 0.00 33.50 31.41 2iur n PRO 274 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2iur s ILE 275 N -0.78 5.11 0.41 0.52 -4.36 -1.26 -1.06 121.20 119.79 2iur s ILE 275 Ca 0.56 -0.03 -0.25 0.00 -0.26 0.00 0.00 60.65 60.67 2iur s ILE 275 Cb -0.48 -3.69 -0.08 0.00 1.25 0.00 0.00 42.46 39.45 2iur s ILE 275 CO 0.59 -0.16 1.18 -0.36 0.24 0.00 0.00 174.94 176.44 2iur s PHE 276 N -1.88 3.00 -0.08 1.37 0.40 0.14 -4.90 117.98 116.04 2iur s PHE 276 Ca 0.42 1.54 0.26 0.00 -0.60 0.00 0.00 56.93 58.54 2iur s PHE 276 Cb -0.11 -3.41 0.79 0.00 0.51 0.00 0.00 43.02 40.79 2iur s PHE 276 CO 0.27 -1.43 1.77 -0.84 0.70 0.00 0.00 175.22 175.69 2iur h ILE 277 N 2.24 0.24 -2.62 0.64 3.07 -1.91 -3.42 117.51 115.75 2iur h ILE 277 Ca -0.49 -1.02 -0.54 0.00 1.55 0.00 0.00 64.86 64.36 2iur h ILE 277 Cb 1.24 1.83 0.00 0.00 -0.27 0.00 0.00 36.82 39.62 2iur h ILE 277 CO 0.62 0.12 1.07 0.00 -1.05 0.00 0.00 178.15 178.90 2iur s ALA 278 N -3.44 3.63 0.28 0.16 0.00 -1.26 -4.97 121.76 116.14 2iur s ALA 278 Ca 0.03 1.03 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 2iur s ALA 278 Cb 0.08 -3.73 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 2iur s ALA 278 CO 0.63 -1.32 0.74 -1.25 0.00 0.00 0.00 175.76 174.56 2iur s PRO 279 N 3.67 4.15 -0.60 0.00 0.04 -1.26 -4.66 135.00 136.34 2iur s PRO 279 Ca 0.74 0.80 -0.18 0.00 0.04 0.00 0.00 61.00 62.40 2iur s PRO 279 Cb -0.35 -2.66 0.11 0.00 0.04 0.00 0.00 34.50 31.64 2iur s PRO 279 CO 0.31 0.27 0.69 0.00 0.04 0.00 0.00 177.00 178.31 2iur s ALA 280 N -1.75 3.46 -0.28 8.56 0.00 0.32 -4.66 121.76 127.40 2iur s ALA 280 Ca 0.49 -2.31 -0.11 0.00 0.00 0.00 0.00 51.96 50.03 2iur s ALA 280 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 2iur s ALA 280 CO 0.19 -2.32 0.18 -1.17 0.00 0.00 0.00 175.76 172.64 2iur s LEU 281 N 2.49 4.00 0.00 0.00 2.96 -1.26 -1.06 118.68 125.81 2iur s LEU 281 Ca 0.11 -0.08 0.09 0.00 -0.22 0.00 0.00 54.13 54.02 2iur s LEU 281 Cb -0.24 -2.10 0.09 0.00 0.50 0.00 0.00 46.19 44.44 2iur s LEU 281 CO 0.05 -0.07 0.72 -0.67 -1.32 0.00 0.00 176.35 175.06 2iur n ASP 282 N 5.05 1.90 0.09 3.68 -0.08 0.65 -4.77 116.55 123.06 2iur n ASP 282 Ca -0.14 -2.38 -0.02 0.00 -1.51 0.00 0.00 54.79 50.74 2iur n ASP 282 Cb 0.52 -0.38 0.24 0.00 2.34 0.00 0.00 41.12 43.83 2iur n ASP 282 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2iur h LYS 283 N 0.00 0.26 0.00 -0.67 3.64 -1.96 -3.34 116.57 114.50 2iur h LYS 283 Ca -0.24 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2iur h LYS 283 Cb 1.12 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2iur h LYS 283 CO 0.35 0.60 -0.15 -0.40 -2.27 0.00 0.00 179.45 177.58 2iur n ASP 284 N -4.05 0.57 -3.73 4.20 5.68 -1.26 -2.30 116.55 115.66 2iur n ASP 284 Ca -0.01 -1.68 -0.10 0.00 -0.50 0.00 0.00 54.79 52.50 2iur n ASP 284 Cb 0.46 -0.11 -0.05 0.00 -1.14 0.00 0.00 41.12 40.28 2iur n ASP 284 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2iur s LYS 285 N -0.47 1.20 -0.01 0.11 -2.85 -1.25 -0.63 119.74 115.84 2iur s LYS 285 Ca 0.03 -0.84 0.02 0.00 -1.00 0.00 0.00 55.97 54.18 2iur s LYS 285 Cb 0.03 0.47 -0.01 0.00 -2.06 0.00 0.00 37.83 36.27 2iur s LYS 285 CO 0.00 -0.48 -0.08 0.00 0.10 0.00 0.00 175.35 174.89 2iur s ALA 286 N -3.86 0.66 0.09 0.59 0.00 -0.15 -0.25 121.76 118.83 2iur s ALA 286 Ca 0.08 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 51.75 2iur s ALA 286 Cb 0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2iur s ALA 286 CO -0.07 0.16 -0.03 -1.01 0.00 0.00 0.00 175.76 174.81 2iur s HIS 287 N -0.19 2.92 0.01 0.00 0.09 -0.23 -1.08 115.29 116.81 2iur s HIS 287 Ca 0.03 -0.06 0.02 0.00 -0.00 0.00 0.00 55.06 55.06 2iur s HIS 287 Cb -0.03 -1.51 -0.01 0.00 -0.00 0.00 0.00 32.58 31.03 2iur s HIS 287 CO -0.00 0.46 -0.08 -0.06 -0.00 0.00 0.00 174.74 175.06 2iur s PHE 288 N -1.27 0.71 0.12 1.40 0.40 -0.07 -0.52 117.98 118.74 2iur s PHE 288 Ca 0.24 -0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.40 2iur s PHE 288 Cb -0.11 -0.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.93 2iur s PHE 288 CO 0.16 -0.02 0.18 0.14 0.70 0.00 0.00 175.22 176.39 2iur s VAL 289 N -0.40 4.93 0.37 -0.44 -7.23 -1.26 -0.59 120.40 115.78 2iur s VAL 289 Ca 0.01 -0.76 0.07 0.00 -1.81 0.00 0.00 61.98 59.49 2iur s VAL 289 Cb -0.04 -3.47 -0.02 0.00 0.56 0.00 0.00 36.38 33.41 2iur s VAL 289 CO -0.00 -0.01 0.38 -0.94 -0.31 0.00 0.00 175.10 174.22 2iur s SER 290 N -2.88 5.32 0.58 4.85 1.04 0.21 -0.68 113.70 122.13 2iur s SER 290 Ca 0.32 -0.54 0.27 0.00 0.48 0.00 0.00 55.95 56.48 2iur s SER 290 Cb -0.11 -0.82 1.66 0.00 0.10 0.00 0.00 66.02 66.85 2iur s SER 290 CO 0.26 -0.52 2.17 1.88 0.98 0.00 0.00 173.24 178.01 2iur h TYR 291 N 1.06 0.00 -0.51 5.02 0.99 -1.39 -1.88 116.97 120.26 2iur h TYR 291 Ca -0.43 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.30 2iur h TYR 291 Cb 1.26 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.99 2iur h TYR 291 CO 0.50 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 179.32 2iur n TYR 292 N -3.96 0.67 -0.63 4.88 4.02 -1.26 -4.53 117.16 116.35 2iur n TYR 292 Ca -0.01 -0.46 0.00 0.00 -0.01 0.00 0.00 57.90 57.42 2iur n TYR 292 Cb 0.20 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 2iur n TYR 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2iur n GLY 293 N 1.08 0.76 3.94 2.72 0.00 -0.71 -4.93 105.19 108.05 2iur n GLY 293 Ca 0.18 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 2iur n GLY 293 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2iur s ASN 294 N -2.53 6.06 -0.07 1.61 0.01 -1.26 -0.56 114.94 118.19 2iur s ASN 294 Ca 0.00 0.43 0.04 0.00 -0.71 0.00 0.00 52.86 52.62 2iur s ASN 294 Cb 0.00 -1.81 -0.00 0.00 0.41 0.00 0.00 41.25 39.85 2iur s ASN 294 CO 0.00 -0.53 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.15 2iur s VAL 295 N -2.49 1.84 0.22 1.60 1.01 0.20 -0.62 120.40 122.16 2iur s VAL 295 Ca 0.45 -0.91 0.12 0.00 0.00 0.00 0.00 61.98 61.63 2iur s VAL 295 Cb -0.10 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 2iur s VAL 295 CO 0.38 0.51 -0.23 -0.31 0.00 0.00 0.00 175.10 175.46 2iur s TYR 296 N 0.19 2.30 0.01 5.22 1.51 0.24 -1.63 117.35 125.19 2iur s TYR 296 Ca -0.11 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 2iur s TYR 296 Cb -0.15 -1.09 -0.01 0.00 -0.11 0.00 0.00 41.96 40.59 2iur s TYR 296 CO 0.06 0.57 -0.07 0.45 -1.11 0.00 0.00 175.55 175.44 2iur s SER 297 N -2.94 0.84 -0.19 2.29 0.15 -0.20 -0.89 113.70 112.75 2iur s SER 297 Ca 0.24 -0.25 0.01 0.00 0.70 0.00 0.00 55.95 56.64 2iur s SER 297 Cb -0.07 -0.05 0.04 0.00 -1.71 0.00 0.00 66.02 64.23 2iur s SER 297 CO 0.12 -0.00 -0.10 0.00 1.20 0.00 0.00 173.24 174.46 2iur s ALA 298 N -0.52 1.90 -0.29 5.45 0.00 -0.24 -1.16 121.76 126.89 2iur s ALA 298 Ca -0.01 -1.12 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 2iur s ALA 298 Cb -0.05 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 2iur s ALA 298 CO 0.00 -0.79 0.19 0.34 0.00 0.00 0.00 175.76 175.50 2iur s ASP 299 N 1.44 5.90 -0.24 0.00 -1.08 0.54 -0.98 116.67 122.25 2iur s ASP 299 Ca -0.01 -0.17 0.09 0.00 -0.52 0.00 0.00 52.55 51.95 2iur s ASP 299 Cb -0.16 -2.09 0.44 0.00 -1.46 0.00 0.00 42.92 39.64 2iur s ASP 299 CO -0.08 -0.10 1.21 2.22 0.52 0.00 0.00 175.17 178.93 2iur n PHE 300 N 5.05 1.20 0.16 -5.34 1.16 0.20 -1.26 117.46 118.62 2iur n PHE 300 Ca -0.14 -1.81 0.00 0.00 -1.87 0.00 0.00 57.45 53.63 2iur n PHE 300 Cb 0.51 -0.29 0.25 0.00 -1.61 0.00 0.00 39.48 38.35 2iur n PHE 300 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 2iur h SER 301 N 1.52 0.00 -4.71 5.98 4.64 -1.84 -3.47 113.55 115.67 2iur h SER 301 Ca 0.16 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.34 2iur h SER 301 Cb 1.24 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.33 2iur h SER 301 CO 0.33 0.51 -0.02 0.61 -0.87 0.00 0.00 176.83 177.39 2iur n GLY 302 N -0.04 1.97 0.24 -0.77 0.00 -1.26 -5.01 105.19 100.32 2iur n GLY 302 Ca -0.01 -2.16 -0.03 0.00 0.00 0.00 0.00 46.02 43.81 2iur n GLY 302 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2iur h ASP 303 N 0.03 0.56 -3.49 1.61 3.32 -1.97 -3.43 116.42 113.05 2iur h ASP 303 Ca -0.08 0.02 -0.55 0.00 0.02 0.00 0.00 57.03 56.44 2iur h ASP 303 Cb 0.35 -0.10 -0.18 0.00 0.22 0.00 0.00 39.33 39.62 2iur h ASP 303 CO 0.11 0.38 -0.79 -1.61 -1.72 0.00 0.00 179.24 175.60 2iur s GLU 304 N -6.12 1.32 0.04 3.56 8.01 -1.26 -5.09 118.70 119.16 2iur s GLU 304 Ca -0.13 -1.42 -0.30 0.00 0.01 0.00 0.00 54.97 53.12 2iur s GLU 304 Cb 0.15 -1.44 -0.05 0.00 -4.31 0.00 0.00 34.13 28.48 2iur s GLU 304 CO 0.75 0.30 1.16 0.08 0.01 0.00 0.00 175.26 177.56 2iur s VAL 305 N -1.93 4.22 -0.13 2.63 1.01 -1.26 -4.81 120.40 120.12 2iur s VAL 305 Ca 0.16 1.59 -0.03 0.00 0.00 0.00 0.00 61.98 63.70 2iur s VAL 305 Cb -0.06 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2iur s VAL 305 CO 0.07 0.11 -0.01 -1.59 0.00 0.00 0.00 175.10 173.68 2iur s LYS 306 N 1.15 3.46 0.07 2.72 -2.85 -0.39 -4.72 119.74 119.18 2iur s LYS 306 Ca 0.57 -0.46 0.07 0.00 -1.00 0.00 0.00 55.97 55.15 2iur s LYS 306 Cb -0.27 -2.90 -0.04 0.00 -2.06 0.00 0.00 37.83 32.56 2iur s LYS 306 CO 0.28 0.41 -0.15 0.14 0.10 0.00 0.00 175.35 176.13 2iur s VAL 307 N -0.07 3.02 0.25 1.79 -7.23 -1.26 -0.34 120.40 116.55 2iur s VAL 307 Ca 0.03 -1.26 -0.12 0.00 -1.81 0.00 0.00 61.98 58.82 2iur s VAL 307 Cb -0.13 -2.34 -0.00 0.00 0.56 0.00 0.00 36.38 34.46 2iur s VAL 307 CO 0.02 0.22 0.47 1.51 -0.31 0.00 0.00 175.10 177.01 2iur s ASP 308 N -1.83 -0.02 0.00 4.85 -4.77 -0.31 -5.00 116.67 109.60 2iur s ASP 308 Ca 0.17 -0.99 0.00 0.00 -3.30 0.00 0.00 52.55 48.44 2iur s ASP 308 Cb -0.11 0.59 0.00 0.00 -1.09 0.00 0.00 42.92 42.31 2iur s ASP 308 CO 0.09 -1.15 0.00 0.61 0.70 0.00 0.00 175.17 175.42 2iur n GLY 309 N -0.39 2.85 3.94 2.12 0.00 -1.26 -1.04 105.19 111.42 2iur n GLY 309 Ca -0.01 -2.03 -0.24 0.00 0.00 0.00 0.00 46.02 43.73 2iur n GLY 309 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2iur s PRO 310 N -2.61 3.49 0.16 1.61 0.04 -1.26 -4.98 135.00 131.44 2iur s PRO 310 Ca 0.00 -0.42 0.09 0.00 0.04 0.00 0.00 61.00 60.71 2iur s PRO 310 Cb 0.00 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 2iur s PRO 310 CO 0.00 0.27 -0.21 1.67 0.04 0.00 0.00 177.00 178.77 2iur s TRP 311 N -2.13 1.98 -0.03 0.56 1.48 -0.65 -4.91 118.94 115.24 2iur s TRP 311 Ca 0.38 -0.42 -0.16 0.00 -1.06 0.00 0.00 56.10 54.85 2iur s TRP 311 Cb -0.10 -1.01 -0.05 0.00 -1.16 0.00 0.00 33.47 31.14 2iur s TRP 311 CO 0.33 0.35 0.42 0.45 -4.06 0.00 0.00 176.95 174.44 2iur s SER 312 N -2.45 6.78 0.14 -2.66 0.15 -1.26 0.60 113.70 114.99 2iur s SER 312 Ca 0.15 0.92 0.20 0.00 0.70 0.00 0.00 55.95 57.92 2iur s SER 312 Cb -0.08 -2.26 0.82 0.00 -1.71 0.00 0.00 66.02 62.80 2iur s SER 312 CO 0.07 0.24 1.61 0.18 1.20 0.00 0.00 173.24 176.54 2iur n LEU 313 N 2.29 0.36 -4.67 3.45 4.77 0.28 -4.87 117.00 118.62 2iur n LEU 313 Ca -0.12 0.59 -0.35 0.00 -0.03 0.00 0.00 56.01 56.10 2iur n LEU 313 Cb 0.52 -0.54 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 2iur n LEU 313 CO 0.39 -0.41 -0.30 -0.76 -1.33 0.00 0.00 177.39 174.98 2iur s LEU 314 N -3.80 3.60 0.69 2.23 1.43 -1.26 -4.85 118.68 116.72 2iur s LEU 314 Ca 0.06 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 2iur s LEU 314 Cb 0.10 -1.84 0.13 0.00 0.03 0.00 0.00 46.19 44.60 2iur s LEU 314 CO 0.34 0.34 0.95 0.54 0.23 0.00 0.00 176.35 178.75 2iur s ASN 315 N -0.64 4.49 0.23 2.29 2.20 -1.26 -4.88 114.94 117.37 2iur s ASN 315 Ca 0.11 -0.60 -0.06 0.00 -0.94 0.00 0.00 52.86 51.37 2iur s ASN 315 Cb -0.12 0.23 0.32 0.00 -2.00 0.00 0.00 41.25 39.68 2iur s ASN 315 CO 0.02 -1.78 1.84 0.44 -2.94 0.00 0.00 177.10 174.68 2iur h ASP 316 N -0.36 0.78 -0.30 3.54 5.19 -2.00 0.29 116.42 123.56 2iur h ASP 316 Ca -0.33 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.07 2iur h ASP 316 Cb 1.27 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 2iur h ASP 316 CO 0.39 0.49 0.05 -0.08 -3.12 0.00 0.00 179.24 176.97 2iur h GLU 317 N 0.91 0.49 -0.13 3.56 4.81 -1.98 0.84 114.58 123.07 2iur h GLU 317 Ca 0.36 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 2iur h GLU 317 Cb 0.18 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 2iur h GLU 317 CO -0.18 0.59 -0.18 -0.44 -0.73 0.00 0.00 179.01 178.07 2iur h ASP 318 N 0.31 -0.55 -0.92 1.04 3.32 -1.83 -2.02 116.42 115.76 2iur h ASP 318 Ca 0.09 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.26 2iur h ASP 318 Cb 0.33 0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.09 2iur h ASP 318 CO 0.01 -0.23 0.61 0.11 -1.72 0.00 0.00 179.24 178.02 2iur h LYS 319 N -0.22 1.19 -0.18 3.56 1.57 -0.76 -1.15 116.57 120.57 2iur h LYS 319 Ca 0.10 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2iur h LYS 319 Cb 0.37 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2iur h LYS 319 CO -0.26 0.79 0.03 0.00 -0.57 0.00 0.00 179.45 179.43 2iur h ALA 320 N 1.35 1.71 -0.52 3.86 0.00 -0.34 -1.17 119.26 124.16 2iur h ALA 320 Ca 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2iur h ALA 320 Cb -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2iur h ALA 320 CO -0.09 0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.02 2iur n LYS 321 N -4.41 2.36 -3.60 0.00 5.02 -0.71 -4.96 118.16 111.85 2iur n LYS 321 Ca -0.00 -2.09 -0.25 0.00 -2.02 0.00 0.00 58.31 53.94 2iur n LYS 321 Cb 0.16 -1.47 0.06 0.00 -0.02 0.00 0.00 35.03 33.75 2iur n LYS 321 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2iur n ASN 322 N 1.23 -5.87 -4.74 4.39 3.02 -0.44 -1.46 115.26 111.38 2iur n ASN 322 Ca 0.20 -0.57 -0.41 0.00 -0.03 0.00 0.00 54.58 53.77 2iur n ASN 322 Cb 0.51 -4.65 -0.02 0.00 -0.61 0.00 0.00 39.78 35.01 2iur n ASN 322 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2iur s TRP 323 N -3.28 3.03 0.14 3.10 0.52 -0.93 -0.14 118.94 121.38 2iur s TRP 323 Ca 0.57 1.04 -0.09 0.00 0.02 0.00 0.00 56.10 57.64 2iur s TRP 323 Cb -0.26 -3.81 -0.01 0.00 -1.15 0.00 0.00 33.47 28.24 2iur s TRP 323 CO 0.70 -2.62 0.24 0.14 0.02 0.00 0.00 176.95 175.44 2iur s VAL 324 N 0.00 0.09 0.62 4.03 -7.23 -0.35 -4.82 120.40 112.75 2iur s VAL 324 Ca 0.59 -1.32 -0.15 0.00 -1.81 0.00 0.00 61.98 59.29 2iur s VAL 324 Cb -0.41 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 2iur s VAL 324 CO 0.43 -0.43 1.06 -2.84 -0.31 0.00 0.00 175.10 173.01 2iur s PRO 325 N -3.93 3.18 -0.10 4.82 0.02 -1.26 -1.30 135.00 136.43 2iur s PRO 325 Ca 0.13 1.19 -0.29 0.00 0.02 0.00 0.00 61.00 62.05 2iur s PRO 325 Cb 0.04 -2.01 0.07 0.00 0.02 0.00 0.00 34.50 32.61 2iur s PRO 325 CO -0.04 -0.92 0.68 0.20 -0.33 0.00 0.00 177.00 176.59 2iur s GLY 326 N -2.91 -0.56 0.00 0.52 0.00 -0.77 -4.64 107.32 98.96 2iur s GLY 326 Ca 0.63 1.47 0.00 0.00 0.00 0.00 0.00 44.72 46.82 2iur s GLY 326 CO 0.40 1.13 0.00 0.61 0.00 0.00 0.00 173.10 175.24 2iur n GLY 327 N 1.36 0.90 0.00 0.20 0.00 -0.52 -4.53 105.19 102.61 2iur n GLY 327 Ca -0.18 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.00 2iur n GLY 327 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2iur n TYR 328 N 9.00 0.00 -2.08 1.61 4.02 -0.09 -4.54 117.16 125.09 2iur n TYR 328 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 2iur n TYR 328 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2iur n TYR 328 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2iur n ASN 329 N -0.61 4.48 -0.67 7.72 3.02 -1.24 -4.69 115.26 123.27 2iur n ASN 329 Ca 0.00 -2.96 0.13 0.00 -0.03 0.00 0.00 54.58 51.72 2iur n ASN 329 Cb 0.00 -1.59 0.27 0.00 -0.61 0.00 0.00 39.78 37.85 2iur n ASN 329 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2iur n LEU 330 N 5.31 2.18 -4.29 3.41 -0.00 -1.26 -0.82 117.00 121.53 2iur n LEU 330 Ca 0.46 -0.73 -0.15 0.00 -0.00 0.00 0.00 56.01 55.59 2iur n LEU 330 Cb 0.38 -0.01 -0.10 0.00 -0.00 0.00 0.00 43.42 43.69 2iur n LEU 330 CO 0.85 0.37 -0.33 0.68 -0.00 0.00 0.00 177.39 178.96 2iur s VAL 331 N -2.10 0.85 0.02 1.47 -7.23 -1.26 -2.19 120.40 109.97 2iur s VAL 331 Ca 0.30 -2.01 -0.28 0.00 -1.81 0.00 0.00 61.98 58.19 2iur s VAL 331 Cb 0.20 -2.25 0.07 0.00 0.56 0.00 0.00 36.38 34.96 2iur s VAL 331 CO 0.36 -0.38 0.64 -0.83 -0.31 0.00 0.00 175.10 174.58 2iur s GLY 332 N -3.24 -0.58 -0.08 2.32 0.00 -0.60 -4.80 107.32 100.34 2iur s GLY 332 Ca 0.27 0.99 0.02 0.00 0.00 0.00 0.00 44.72 46.01 2iur s GLY 332 CO 0.07 0.65 -0.14 -2.27 0.00 0.00 0.00 173.10 171.40 2iur s LEU 333 N -1.74 1.71 -0.49 0.66 2.96 -1.26 -0.58 118.68 119.94 2iur s LEU 333 Ca -0.07 -0.36 -0.20 0.00 -0.22 0.00 0.00 54.13 53.28 2iur s LEU 333 Cb -0.00 -0.96 0.04 0.00 0.50 0.00 0.00 46.19 45.77 2iur s LEU 333 CO 0.02 0.05 0.67 -2.28 -1.32 0.00 0.00 176.35 173.48 2iur s HIS 334 N 0.69 3.02 0.16 5.38 5.65 0.82 -4.86 115.29 126.16 2iur s HIS 334 Ca -0.13 -0.33 -0.09 0.00 0.25 0.00 0.00 55.06 54.76 2iur s HIS 334 Cb -0.16 -3.54 0.00 0.00 -1.18 0.00 0.00 32.58 27.71 2iur s HIS 334 CO 0.03 -1.02 1.50 0.00 -0.65 0.00 0.00 174.74 174.61 2iur h ARG 335 N 9.00 0.90 -0.40 2.88 3.08 -1.91 0.07 114.38 128.01 2iur h ARG 335 Ca -0.27 -0.46 -0.03 0.00 0.07 0.00 0.00 59.98 59.30 2iur h ARG 335 Cb 1.09 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 2iur h ARG 335 CO 0.96 1.11 0.12 0.00 -1.07 0.00 0.00 179.97 181.09 2iur h ALA 336 N 0.84 1.47 0.00 0.04 0.00 -1.95 -3.12 119.26 116.54 2iur h ALA 336 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2iur h ALA 336 Cb 0.94 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2iur h ALA 336 CO 0.09 0.39 -1.71 -1.13 0.00 0.00 0.00 179.25 176.89 2iur n SER 337 N -4.35 0.34 -0.11 0.00 3.41 -1.12 -4.98 113.62 106.79 2iur n SER 337 Ca 0.03 -0.26 -0.01 0.00 -0.26 0.00 0.00 58.87 58.36 2iur n SER 337 Cb 0.17 1.72 -0.01 0.00 -0.26 0.00 0.00 64.21 65.83 2iur n SER 337 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2iur n GLY 338 N 1.34 0.47 3.71 5.00 0.00 -0.00 -4.86 105.19 110.84 2iur n GLY 338 Ca -0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2iur n GLY 338 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iur s ARG 339 N -1.07 4.42 -0.13 1.61 0.52 -1.14 -2.14 118.95 121.03 2iur s ARG 339 Ca 0.00 1.77 -0.03 0.00 -0.52 0.00 0.00 55.73 56.96 2iur s ARG 339 Cb 0.00 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 32.07 2iur s ARG 339 CO 0.00 -0.28 -0.03 1.41 0.02 0.00 0.00 175.30 176.42 2iur s MET 340 N 1.18 3.38 -0.13 3.54 -2.45 0.64 -0.12 119.30 125.35 2iur s MET 340 Ca 0.59 -0.49 -0.03 0.00 -1.25 0.00 0.00 55.69 54.51 2iur s MET 340 Cb -0.29 -2.85 -0.03 0.00 1.25 0.00 0.00 34.83 32.91 2iur s MET 340 CO 0.29 0.42 -0.03 0.71 1.05 0.00 0.00 175.02 177.45 2iur s TYR 341 N -0.11 3.06 -0.07 4.11 1.51 0.26 -0.08 117.35 126.03 2iur s TYR 341 Ca 0.03 -0.12 -0.04 0.00 -1.01 0.00 0.00 57.07 55.93 2iur s TYR 341 Cb -0.13 -1.89 0.03 0.00 -0.11 0.00 0.00 41.96 39.86 2iur s TYR 341 CO 0.02 0.14 0.16 0.08 -1.11 0.00 0.00 175.55 174.85 2iur s VAL 342 N -0.09 -0.03 0.10 0.71 1.01 -0.43 -1.56 120.40 120.12 2iur s VAL 342 Ca 0.03 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 2iur s VAL 342 Cb -0.13 -0.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.94 2iur s VAL 342 CO 0.02 0.05 1.05 -0.36 0.00 0.00 0.00 175.10 175.87 2iur s PHE 343 N 0.89 3.65 0.07 5.22 2.99 -0.93 -0.80 117.98 129.06 2iur s PHE 343 Ca -0.07 1.63 0.02 0.00 0.00 0.00 0.00 56.93 58.51 2iur s PHE 343 Cb -0.09 -3.20 -0.03 0.00 0.00 0.00 0.00 43.02 39.70 2iur s PHE 343 CO -0.05 -0.36 -0.08 -1.64 -0.00 0.00 0.00 175.22 173.09 2iur s MET 344 N 0.29 0.68 0.03 0.44 -1.94 -0.40 -1.85 119.30 116.54 2iur s MET 344 Ca 0.51 -1.00 -0.07 0.00 -1.71 0.00 0.00 55.69 53.42 2iur s MET 344 Cb -0.26 -0.32 -0.00 0.00 2.01 0.00 0.00 34.83 36.26 2iur s MET 344 CO 0.31 0.04 0.14 -3.38 -0.01 0.00 0.00 175.02 172.11 2iur s HIS 345 N -2.21 0.11 0.81 -0.03 -3.43 -0.42 -0.80 115.29 109.32 2iur s HIS 345 Ca -0.01 -0.32 -0.09 0.00 -0.80 0.00 0.00 55.06 53.84 2iur s HIS 345 Cb -0.04 -0.08 0.13 0.00 -1.43 0.00 0.00 32.58 31.16 2iur s HIS 345 CO -0.01 -0.36 1.14 -1.25 -2.00 0.00 0.00 174.74 172.26 2iur s PRO 346 N -2.18 1.47 -1.38 -0.38 0.04 -1.26 -1.21 135.00 130.10 2iur s PRO 346 Ca -0.08 -0.49 -0.09 0.00 0.04 0.00 0.00 61.00 60.38 2iur s PRO 346 Cb -0.03 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.46 2iur s PRO 346 CO -0.02 -1.76 1.12 -0.25 0.04 0.00 0.00 177.00 176.13 2iur n ASP 347 N -3.25 -5.59 -4.77 6.66 8.00 -0.54 -4.85 116.55 112.22 2iur n ASP 347 Ca 0.12 -0.60 -0.39 0.00 0.71 0.00 0.00 54.79 54.63 2iur n ASP 347 Cb 0.60 -4.78 0.00 0.00 -0.02 0.00 0.00 41.12 36.92 2iur n ASP 347 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2iur s GLY 348 N -3.43 2.91 0.27 0.44 0.00 0.81 -5.02 107.32 103.29 2iur s GLY 348 Ca 0.54 1.23 -0.20 0.00 0.00 0.00 0.00 44.72 46.30 2iur s GLY 348 CO 0.75 1.80 0.94 -1.59 0.00 0.00 0.00 173.10 175.00 2iur s LYS 349 N -2.35 1.69 0.04 2.90 -2.85 -1.26 -4.95 119.74 112.95 2iur s LYS 349 Ca 0.59 -1.08 -0.33 0.00 -1.00 0.00 0.00 55.97 54.15 2iur s LYS 349 Cb -0.38 0.47 -0.11 0.00 -2.06 0.00 0.00 37.83 35.75 2iur s LYS 349 CO 0.48 -0.79 1.82 -1.91 0.10 0.00 0.00 175.35 175.05 2iur n GLU 350 N -0.63 2.45 0.00 1.78 4.07 -1.26 -2.20 120.64 124.85 2iur n GLU 350 Ca -0.05 0.89 0.00 0.00 -0.06 0.00 0.00 57.16 57.94 2iur n GLU 350 Cb 0.60 -2.75 0.00 0.00 -0.06 0.00 0.00 31.44 29.22 2iur n GLU 350 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2iur n GLY 351 N 4.18 0.81 0.91 8.31 0.00 -1.26 -4.99 105.19 113.15 2iur n GLY 351 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 2iur n GLY 351 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2iur n THR 352 N -1.66 1.15 0.59 2.61 -2.24 -0.94 -4.66 114.28 109.12 2iur n THR 352 Ca 0.00 -1.07 0.08 0.00 -2.27 0.00 0.00 64.05 60.79 2iur n THR 352 Cb 0.00 0.42 0.36 0.00 -2.10 0.00 0.00 70.33 69.02 2iur n THR 352 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iur n HIS 353 N 0.79 0.00 -0.60 4.78 1.44 -1.26 -2.03 115.22 118.33 2iur n HIS 353 Ca 0.17 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.94 2iur n HIS 353 Cb 0.54 -0.50 0.18 0.00 0.12 0.00 0.00 29.99 30.33 2iur n HIS 353 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2iur n LYS 354 N -1.50 2.74 -2.12 -1.40 5.02 -1.26 -1.43 118.16 118.21 2iur n LYS 354 Ca 0.04 -2.38 -0.38 0.00 -2.02 0.00 0.00 58.31 53.57 2iur n LYS 354 Cb 0.20 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 2iur n LYS 354 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2iur s PHE 355 N -1.97 2.74 0.74 2.13 0.40 -0.86 -4.32 117.98 116.84 2iur s PHE 355 Ca 0.30 1.48 -0.15 0.00 -0.60 0.00 0.00 56.93 57.96 2iur s PHE 355 Cb 0.22 -3.51 0.04 0.00 0.51 0.00 0.00 43.02 40.27 2iur s PHE 355 CO 0.10 -1.89 1.15 -2.30 0.70 0.00 0.00 175.22 172.98 2iur n PRO 356 N -0.53 0.52 -2.11 0.24 -0.02 -1.26 -3.53 135.00 128.31 2iur n PRO 356 Ca 0.08 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.38 2iur n PRO 356 Cb 0.47 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 2iur n PRO 356 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2iur s ALA 357 N -1.84 3.62 0.11 3.55 0.00 0.28 -4.74 121.76 122.75 2iur s ALA 357 Ca 0.76 1.02 -0.04 0.00 0.00 0.00 0.00 51.96 53.69 2iur s ALA 357 Cb -0.33 -3.63 -0.15 0.00 0.00 0.00 0.00 23.12 19.02 2iur s ALA 357 CO 0.48 -0.96 1.26 0.00 0.00 0.00 0.00 175.76 176.53 2iur h ALA 358 N 7.93 0.29 -2.52 0.00 0.00 -1.31 -2.97 119.26 120.67 2iur h ALA 358 Ca -0.40 -0.76 -0.12 0.00 0.00 0.00 0.00 54.91 53.63 2iur h ALA 358 Cb 1.19 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.80 2iur h ALA 358 CO 0.91 0.86 -0.55 -1.21 0.00 0.00 0.00 179.25 179.26 2iur s GLU 359 N -3.08 0.61 -0.22 0.00 2.02 -0.73 -0.98 118.70 116.33 2iur s GLU 359 Ca -0.05 -0.89 -0.10 0.00 0.02 0.00 0.00 54.97 53.96 2iur s GLU 359 Cb 0.08 0.24 -0.05 0.00 0.10 0.00 0.00 34.13 34.50 2iur s GLU 359 CO 0.87 -0.15 0.13 0.42 0.02 0.00 0.00 175.26 176.55 2iur s ILE 360 N -3.04 5.24 -0.08 -1.63 1.01 -0.07 -1.27 121.20 121.36 2iur s ILE 360 Ca -0.01 0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 2iur s ILE 360 Cb 0.01 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 2iur s ILE 360 CO -0.07 0.39 0.09 0.26 0.00 0.00 0.00 174.94 175.62 2iur s TRP 361 N 0.77 3.41 -0.22 3.97 0.52 0.02 -1.78 118.94 125.64 2iur s TRP 361 Ca 0.07 0.35 -0.02 0.00 0.02 0.00 0.00 56.10 56.52 2iur s TRP 361 Cb -0.13 -1.85 0.01 0.00 -1.15 0.00 0.00 33.47 30.36 2iur s TRP 361 CO 0.02 0.62 -0.09 0.08 0.02 0.00 0.00 176.95 177.60 2iur s VAL 362 N -1.05 2.86 -0.08 4.03 1.01 -0.34 -1.31 120.40 125.52 2iur s VAL 362 Ca 0.17 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2iur s VAL 362 Cb -0.12 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2iur s VAL 362 CO 0.07 0.38 -0.09 -0.04 0.00 0.00 0.00 175.10 175.41 2iur s MET 363 N 1.38 2.82 -0.37 2.72 1.00 0.88 0.23 119.30 127.96 2iur s MET 363 Ca 0.04 -0.60 -0.24 0.00 0.00 0.00 0.00 55.69 54.88 2iur s MET 363 Cb -0.15 -2.56 0.01 0.00 0.00 0.00 0.00 34.83 32.14 2iur s MET 363 CO -0.06 0.57 0.85 0.34 0.00 0.00 0.00 175.02 176.72 2iur s ASP 364 N -0.56 6.60 0.34 3.03 -1.08 0.47 -0.26 116.67 125.22 2iur s ASP 364 Ca 0.08 0.44 0.26 0.00 -0.52 0.00 0.00 52.55 52.81 2iur s ASP 364 Cb -0.12 -2.43 0.83 0.00 -1.46 0.00 0.00 42.92 39.75 2iur s ASP 364 CO 0.02 -0.80 1.76 0.71 0.52 0.00 0.00 175.17 177.37 2iur h THR 365 N 5.80 0.00 0.04 1.71 1.35 -1.73 0.42 112.91 120.50 2iur h THR 365 Ca -0.24 -0.57 -0.00 0.00 -0.55 0.00 0.00 66.41 65.05 2iur h THR 365 Cb 1.09 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 2iur h THR 365 CO 0.95 0.00 -0.02 0.11 -0.25 0.00 0.00 175.52 176.31 2iur h LYS 366 N 0.00 -0.05 0.00 4.72 6.56 -1.92 -3.36 116.57 122.53 2iur h LYS 366 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2iur h LYS 366 Cb 0.68 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.35 2iur h LYS 366 CO 0.00 0.63 -0.42 1.79 -2.06 0.00 0.00 179.45 179.39 2iur h THR 367 N -0.87 0.00 -3.76 -0.16 1.35 -1.97 -3.47 112.91 104.03 2iur h THR 367 Ca -0.00 -0.61 -0.34 0.00 -0.55 0.00 0.00 66.41 64.91 2iur h THR 367 Cb 0.70 1.35 0.05 0.00 -1.73 0.00 0.00 68.15 68.51 2iur h THR 367 CO 0.01 0.00 -0.51 0.29 -0.25 0.00 0.00 175.52 175.06 2iur n LYS 368 N -2.34 -4.00 -4.31 4.72 5.02 0.15 -5.01 118.16 112.39 2iur n LYS 368 Ca 0.04 0.78 -0.24 0.00 -2.02 0.00 0.00 58.31 56.86 2iur n LYS 368 Cb 0.46 -5.34 -0.12 0.00 -0.02 0.00 0.00 35.03 30.00 2iur n LYS 368 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2iur s GLN 369 N -5.48 1.19 0.11 1.97 -1.52 -1.14 -4.96 119.66 109.83 2iur s GLN 369 Ca 0.24 -1.23 -0.30 0.00 -1.95 0.00 0.00 55.36 52.12 2iur s GLN 369 Cb -0.11 -1.46 -0.06 0.00 -0.22 0.00 0.00 33.01 31.16 2iur s GLN 369 CO 0.30 0.34 1.18 0.50 -0.25 0.00 0.00 175.29 177.35 2iur s ARG 370 N -2.07 4.47 -0.00 2.91 3.52 -1.26 -0.39 118.95 126.12 2iur s ARG 370 Ca 0.09 1.78 0.10 0.00 -0.13 0.00 0.00 55.73 57.57 2iur s ARG 370 Cb -0.09 -3.31 -0.12 0.00 -1.56 0.00 0.00 34.95 29.86 2iur s ARG 370 CO 0.05 -0.16 0.39 1.33 -0.81 0.00 0.00 175.30 176.10 2iur n VAL 371 N 3.37 0.00 -3.50 7.11 0.24 0.13 -4.89 118.33 120.78 2iur n VAL 371 Ca 0.07 -0.26 -0.14 0.00 -2.04 0.00 0.00 64.34 61.98 2iur n VAL 371 Cb 0.46 0.86 -0.04 0.00 -1.47 0.00 0.00 33.84 33.64 2iur n VAL 371 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2iur s ALA 372 N -2.11 -1.76 -0.06 2.33 0.00 -1.11 -4.78 121.76 114.27 2iur s ALA 372 Ca 0.02 1.11 -0.04 0.00 0.00 0.00 0.00 51.96 53.06 2iur s ALA 372 Cb 0.07 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.38 2iur s ALA 372 CO 0.42 -0.51 0.14 -0.98 0.00 0.00 0.00 175.76 174.83 2iur s ARG 373 N -2.11 0.12 0.09 0.00 1.70 -1.26 -1.20 118.95 116.29 2iur s ARG 373 Ca -0.04 0.28 0.00 0.00 -0.47 0.00 0.00 55.73 55.50 2iur s ARG 373 Cb -0.00 -0.06 -0.04 0.00 -0.57 0.00 0.00 34.95 34.27 2iur s ARG 373 CO -0.00 -0.10 -0.02 0.96 -1.08 0.00 0.00 175.30 175.06 2iur s ILE 374 N 0.66 0.39 0.35 4.99 -4.36 -0.73 -4.99 121.20 117.51 2iur s ILE 374 Ca -0.05 -1.88 -0.28 0.00 -0.26 0.00 0.00 60.65 58.18 2iur s ILE 374 Cb -0.07 -1.72 -0.12 0.00 1.25 0.00 0.00 42.46 41.80 2iur s ILE 374 CO -0.03 -0.81 1.31 -2.65 0.24 0.00 0.00 174.94 172.99 2iur n PRO 375 N -0.01 2.17 0.13 0.37 -0.02 -1.26 -0.89 135.00 135.49 2iur n PRO 375 Ca -0.11 0.76 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 2iur n PRO 375 Cb 0.62 -2.37 0.17 0.00 -0.02 0.00 0.00 33.50 31.90 2iur n PRO 375 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2iur h GLY 376 N 2.54 0.00 -5.86 -1.23 0.00 -1.24 -3.39 103.07 93.90 2iur h GLY 376 Ca -0.47 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.42 2iur h GLY 376 CO 0.62 0.00 -0.67 0.54 0.00 0.00 0.00 176.54 177.04 2iur n ARG 377 N -2.61 -4.10 -2.51 4.80 1.74 -1.26 -1.51 116.66 111.22 2iur n ARG 377 Ca 0.03 0.52 -0.16 0.00 -0.77 0.00 0.00 57.85 57.48 2iur n ARG 377 Cb 0.50 -5.30 -0.00 0.00 -1.02 0.00 0.00 32.46 26.63 2iur n ARG 377 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2iur n ASP 378 N -2.53 -4.61 -4.78 0.55 8.00 -1.12 -4.80 116.55 107.26 2iur n ASP 378 Ca 0.01 0.08 -0.35 0.00 0.71 0.00 0.00 54.79 55.24 2iur n ASP 378 Cb 0.53 -3.87 -0.02 0.00 -0.02 0.00 0.00 41.12 37.74 2iur n ASP 378 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2iur s ALA 379 N -2.79 2.82 -0.03 2.24 0.00 -0.57 -4.35 121.76 119.09 2iur s ALA 379 Ca 0.04 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.74 2iur s ALA 379 Cb -0.02 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 2iur s ALA 379 CO 0.05 -0.51 -0.00 1.28 0.00 0.00 0.00 175.76 176.57 2iur n LEU 380 N -1.00 0.73 -4.10 0.00 4.77 0.40 -0.55 117.00 117.25 2iur n LEU 380 Ca 0.10 -0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 2iur n LEU 380 Cb 0.51 0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 2iur n LEU 380 CO 0.42 0.18 -0.39 -0.44 -1.33 0.00 0.00 177.39 175.83 2iur s SER 381 N -3.55 0.84 0.22 -1.43 0.01 -1.01 -0.91 113.70 107.86 2iur s SER 381 Ca -0.02 -0.77 -0.04 0.00 1.31 0.00 0.00 55.95 56.43 2iur s SER 381 Cb 0.01 0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.30 2iur s SER 381 CO 0.10 -0.36 0.23 0.00 0.41 0.00 0.00 173.24 173.62 2iur s MET 382 N -2.69 1.31 0.03 12.44 0.23 0.00 -1.03 119.30 129.59 2iur s MET 382 Ca -0.01 -1.53 -0.18 0.00 -1.03 0.00 0.00 55.69 52.95 2iur s MET 382 Cb -0.02 0.33 0.04 0.00 -1.53 0.00 0.00 34.83 33.64 2iur s MET 382 CO -0.03 -0.47 0.41 -0.08 -2.03 0.00 0.00 175.02 172.82 2iur s THR 383 N -4.10 0.05 -0.04 3.16 -1.32 -0.63 -4.80 115.64 107.96 2iur s THR 383 Ca 0.34 -0.44 0.05 0.00 -1.21 0.00 0.00 61.69 60.43 2iur s THR 383 Cb 0.05 -0.91 -0.02 0.00 -1.51 0.00 0.00 72.50 70.11 2iur s THR 383 CO 0.11 -0.24 -0.19 -0.63 -2.21 0.00 0.00 174.62 171.46 2iur s ILE 384 N -2.24 2.61 -0.26 5.08 -1.09 -1.26 -1.04 121.20 123.00 2iur s ILE 384 Ca -0.07 -0.89 -0.07 0.00 -2.23 0.00 0.00 60.65 57.39 2iur s ILE 384 Cb -0.01 -1.98 -0.02 0.00 -1.58 0.00 0.00 42.46 38.86 2iur s ILE 384 CO -0.01 0.58 0.07 -0.62 -1.23 0.00 0.00 174.94 173.73 2iur s ASP 385 N -0.58 5.11 0.25 3.58 -1.08 0.07 -4.96 116.67 119.07 2iur s ASP 385 Ca 0.08 -0.29 0.12 0.00 -0.52 0.00 0.00 52.55 51.94 2iur s ASP 385 Cb -0.11 -1.91 0.21 0.00 -1.46 0.00 0.00 42.92 39.64 2iur s ASP 385 CO 0.01 -0.06 1.51 1.56 0.52 0.00 0.00 175.17 178.70 2iur h GLN 386 N 8.24 0.00 0.00 4.34 1.08 -1.94 -1.40 115.11 125.44 2iur h GLN 386 Ca -0.37 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 56.66 2iur h GLN 386 Cb 1.17 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.57 2iur h GLN 386 CO 0.58 0.66 -0.87 1.96 -0.95 0.00 0.00 178.83 180.22 2iur h GLN 387 N 0.00 0.00 -0.01 1.46 7.50 -1.94 -3.33 115.11 118.79 2iur h GLN 387 Ca -0.01 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.14 2iur h GLN 387 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.83 2iur h GLN 387 CO 0.09 0.67 0.00 0.54 -1.50 0.00 0.00 178.83 178.62 2iur n ARG 388 N -3.22 -0.17 -3.39 1.46 3.00 -1.25 -5.04 116.66 108.05 2iur n ARG 388 Ca -0.01 -0.84 -0.19 0.00 -0.01 0.00 0.00 57.85 56.80 2iur n ARG 388 Cb 0.85 -1.10 0.06 0.00 0.00 0.00 0.00 32.46 32.27 2iur n ARG 388 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2iur n ASN 389 N 0.28 -5.56 -4.26 0.55 3.02 -0.56 -4.89 115.26 103.83 2iur n ASN 389 Ca 0.03 -0.78 -0.20 0.00 -0.03 0.00 0.00 54.58 53.60 2iur n ASN 389 Cb 0.14 -4.73 -0.11 0.00 -0.61 0.00 0.00 39.78 34.46 2iur n ASN 389 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2iur s LEU 390 N -5.81 2.38 -0.05 3.41 1.43 -0.97 -1.00 118.68 118.06 2iur s LEU 390 Ca 0.39 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2iur s LEU 390 Cb -0.07 -0.67 0.01 0.00 0.03 0.00 0.00 46.19 45.48 2iur s LEU 390 CO 0.77 -0.07 -0.14 -0.32 0.23 0.00 0.00 176.35 176.82 2iur s MET 391 N -2.43 1.68 -0.07 1.70 -2.45 -0.39 -0.75 119.30 116.60 2iur s MET 391 Ca 0.09 -0.48 -0.03 0.00 -1.25 0.00 0.00 55.69 54.01 2iur s MET 391 Cb -0.07 -1.42 -0.04 0.00 1.25 0.00 0.00 34.83 34.56 2iur s MET 391 CO 0.04 0.12 0.10 -0.51 1.05 0.00 0.00 175.02 175.82 2iur s LEU 392 N 0.37 4.06 0.24 4.11 1.43 -0.21 -0.58 118.68 128.09 2iur s LEU 392 Ca -0.09 0.29 0.09 0.00 -1.03 0.00 0.00 54.13 53.38 2iur s LEU 392 Cb -0.13 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 2iur s LEU 392 CO 0.03 0.35 -0.14 0.42 0.23 0.00 0.00 176.35 177.23 2iur s THR 393 N -1.07 1.90 -0.11 5.49 -4.23 -0.46 -1.60 115.64 115.55 2iur s THR 393 Ca 0.18 -2.24 -0.05 0.00 -1.18 0.00 0.00 61.69 58.40 2iur s THR 393 Cb -0.12 -2.17 0.05 0.00 1.34 0.00 0.00 72.50 71.60 2iur s THR 393 CO 0.08 -0.50 0.25 -0.22 -0.54 0.00 0.00 174.62 173.69 2iur s LEU 394 N -3.38 0.21 0.00 4.79 2.96 -0.20 -0.60 118.68 122.46 2iur s LEU 394 Ca 0.25 0.54 0.20 0.00 -0.22 0.00 0.00 54.13 54.90 2iur s LEU 394 Cb -0.01 0.72 0.49 0.00 0.50 0.00 0.00 46.19 47.89 2iur s LEU 394 CO 0.10 -0.19 1.41 -0.90 -1.32 0.00 0.00 176.35 175.45 2iur n ASP 395 N 4.55 3.53 0.00 3.68 3.85 -1.01 -0.45 116.55 130.70 2iur n ASP 395 Ca -0.20 -1.97 0.00 0.00 -0.71 0.00 0.00 54.79 51.91 2iur n ASP 395 Cb 0.52 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 39.94 2iur n ASP 395 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2iur n GLY 396 N 1.35 1.78 0.00 6.12 0.00 -1.22 -4.77 105.19 108.45 2iur n GLY 396 Ca 0.20 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2iur n GLY 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iur n GLY 397 N 0.00 0.00 3.31 -0.02 0.00 -1.26 -0.84 105.19 106.37 2iur n GLY 397 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2iur n GLY 397 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2iur s ASN 398 N -1.39 2.96 -0.16 1.61 0.01 -1.26 -0.33 114.94 116.38 2iur s ASN 398 Ca 0.00 -0.51 -0.02 0.00 -0.71 0.00 0.00 52.86 51.62 2iur s ASN 398 Cb 0.00 -0.30 -0.01 0.00 0.41 0.00 0.00 41.25 41.35 2iur s ASN 398 CO 0.00 0.27 -0.09 -0.69 -1.51 0.00 0.00 177.10 175.08 2iur s VAL 399 N -0.68 3.25 -0.16 1.60 1.01 -0.49 -2.41 120.40 122.52 2iur s VAL 399 Ca 0.10 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 2iur s VAL 399 Cb -0.10 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2iur s VAL 399 CO 0.00 0.49 0.09 0.20 0.00 0.00 0.00 175.10 175.89 2iur s ASN 400 N 0.74 5.94 -0.21 3.32 0.01 0.23 0.00 114.94 124.97 2iur s ASN 400 Ca -0.04 0.24 -0.06 0.00 -0.71 0.00 0.00 52.86 52.29 2iur s ASN 400 Cb -0.15 -1.96 -0.03 0.00 0.41 0.00 0.00 41.25 39.52 2iur s ASN 400 CO 0.02 0.27 0.03 -0.69 -1.51 0.00 0.00 177.10 175.22 2iur s VAL 401 N -0.20 4.18 0.00 1.60 1.01 -0.22 -1.36 120.40 125.41 2iur s VAL 401 Ca 0.09 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 61.92 2iur s VAL 401 Cb -0.12 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 2iur s VAL 401 CO 0.01 0.40 -0.26 -0.31 0.00 0.00 0.00 175.10 174.95 2iur s TYR 402 N 1.11 2.27 -0.26 5.22 1.51 0.25 -0.21 117.35 127.24 2iur s TYR 402 Ca 0.03 -0.42 -0.21 0.00 -1.01 0.00 0.00 57.07 55.46 2iur s TYR 402 Cb -0.14 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.26 2iur s TYR 402 CO 0.02 0.02 0.67 0.34 -1.11 0.00 0.00 175.55 175.49 2iur s ASP 403 N -0.83 6.62 -0.24 2.29 2.15 0.02 -1.26 116.67 125.41 2iur s ASP 403 Ca 0.10 0.75 0.11 0.00 0.43 0.00 0.00 52.55 53.94 2iur s ASP 403 Cb -0.10 -2.35 0.45 0.00 -0.30 0.00 0.00 42.92 40.62 2iur s ASP 403 CO 0.00 -0.40 1.33 2.30 -0.17 0.00 0.00 175.17 178.23 2iur n ILE 404 N 5.22 2.34 0.43 4.11 -5.35 -0.17 -1.23 119.36 124.71 2iur n ILE 404 Ca 0.01 -2.94 0.12 0.00 -0.27 0.00 0.00 62.75 59.67 2iur n ILE 404 Cb 0.49 -0.28 0.48 0.00 -1.74 0.00 0.00 39.64 38.59 2iur n ILE 404 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2iur n SER 405 N -1.12 0.70 -4.48 7.28 3.41 -1.24 -4.71 113.62 113.47 2iur n SER 405 Ca 0.25 0.65 -0.24 0.00 -0.26 0.00 0.00 58.87 59.27 2iur n SER 405 Cb 0.84 -0.81 -0.10 0.00 -0.26 0.00 0.00 64.21 63.88 2iur n SER 405 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2iur s GLN 406 N -3.29 1.69 0.26 4.33 -1.52 -1.26 -5.06 119.66 114.81 2iur s GLN 406 Ca 0.05 -1.80 -0.01 0.00 -1.95 0.00 0.00 55.36 51.65 2iur s GLN 406 Cb 0.10 -1.69 0.54 0.00 -0.22 0.00 0.00 33.01 31.74 2iur s GLN 406 CO 0.43 0.26 1.76 -1.35 -0.25 0.00 0.00 175.29 176.14 2iur h PRO 407 N 2.23 0.59 -5.78 2.91 0.11 -1.96 -3.37 132.00 126.73 2iur h PRO 407 Ca -0.40 -0.04 -0.60 0.00 0.11 0.00 0.00 66.00 65.07 2iur h PRO 407 Cb 1.25 -0.13 -0.09 0.00 0.11 0.00 0.00 31.00 32.14 2iur h PRO 407 CO 0.63 0.39 0.45 -2.00 -0.21 0.00 0.00 178.00 177.26 2iur s GLU 408 N -5.97 4.15 0.57 1.05 2.12 -1.26 -4.68 118.70 114.68 2iur s GLU 408 Ca -0.12 0.88 -0.20 0.00 0.36 0.00 0.00 54.97 55.89 2iur s GLU 408 Cb 0.22 -3.66 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 2iur s GLU 408 CO 0.78 -0.54 1.28 -2.14 -0.54 0.00 0.00 175.26 174.10 2iur s PRO 409 N 2.85 3.04 -0.12 4.30 0.02 -1.26 -4.89 135.00 138.94 2iur s PRO 409 Ca 0.34 2.03 0.02 0.00 0.02 0.00 0.00 61.00 63.41 2iur s PRO 409 Cb -0.15 -2.09 -0.00 0.00 0.02 0.00 0.00 34.50 32.28 2iur s PRO 409 CO 0.08 -1.21 -0.20 0.15 -0.33 0.00 0.00 177.00 175.49 2iur s LYS 410 N -3.11 3.14 -0.11 5.54 1.02 -0.37 -4.96 119.74 120.90 2iur s LYS 410 Ca 0.75 -0.82 -0.30 0.00 0.02 0.00 0.00 55.97 55.63 2iur s LYS 410 Cb -0.35 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.50 2iur s LYS 410 CO 0.40 0.13 1.01 -1.17 -0.92 0.00 0.00 175.35 174.80 2iur s LEU 411 N 0.49 4.25 -0.22 3.17 2.96 -1.26 -0.80 118.68 127.27 2iur s LEU 411 Ca -0.13 1.54 -0.08 0.00 -0.22 0.00 0.00 54.13 55.23 2iur s LEU 411 Cb -0.17 -3.56 -0.19 0.00 0.50 0.00 0.00 46.19 42.78 2iur s LEU 411 CO 0.05 -0.45 -0.02 0.18 -1.32 0.00 0.00 176.35 174.79 2iur n LEU 412 N 5.03 2.46 -3.66 -0.68 4.77 0.71 -4.96 117.00 120.67 2iur n LEU 412 Ca 0.09 0.16 -0.02 0.00 -0.03 0.00 0.00 56.01 56.21 2iur n LEU 412 Cb 0.49 -0.96 -0.01 0.00 -2.33 0.00 0.00 43.42 40.61 2iur n LEU 412 CO 0.52 0.72 0.86 0.00 -1.33 0.00 0.00 177.39 178.16 2iur s ARG 413 N -2.50 0.78 -0.04 3.23 1.70 -1.22 -5.02 118.95 115.87 2iur s ARG 413 Ca -0.31 -0.40 0.06 0.00 -0.47 0.00 0.00 55.73 54.60 2iur s ARG 413 Cb 0.09 0.28 -0.01 0.00 -0.57 0.00 0.00 34.95 34.74 2iur s ARG 413 CO 0.62 -0.35 -0.22 0.99 -1.08 0.00 0.00 175.30 175.26 2iur s THR 414 N -2.88 1.77 -0.43 4.99 2.01 -1.26 -1.05 115.64 118.79 2iur s THR 414 Ca 0.12 -0.92 -0.14 0.00 0.31 0.00 0.00 61.69 61.06 2iur s THR 414 Cb 0.01 -1.50 0.05 0.00 0.01 0.00 0.00 72.50 71.07 2iur s THR 414 CO -0.02 0.50 0.32 -0.63 -0.69 0.00 0.00 174.62 174.10 2iur s ILE 415 N -0.19 5.03 0.10 1.82 1.01 0.10 -4.96 121.20 124.11 2iur s ILE 415 Ca -0.01 -0.95 -0.26 0.00 0.00 0.00 0.00 60.65 59.44 2iur s ILE 415 Cb -0.12 -3.92 -0.07 0.00 0.01 0.00 0.00 42.46 38.37 2iur s ILE 415 CO 0.02 -0.44 0.79 -1.61 0.00 0.00 0.00 174.94 173.70 2iur s GLU 416 N 1.62 4.55 -0.58 2.79 0.41 -1.26 -1.39 118.70 124.83 2iur s GLU 416 Ca 0.04 1.14 -0.01 0.00 -0.41 0.00 0.00 54.97 55.73 2iur s GLU 416 Cb -0.22 -3.32 0.00 0.00 -1.78 0.00 0.00 34.13 28.81 2iur s GLU 416 CO 0.07 0.39 0.11 0.41 -0.49 0.00 0.00 175.26 175.76 2iur n GLY 417 N 2.05 0.17 0.25 -1.39 0.00 -1.17 -4.91 105.19 100.19 2iur n GLY 417 Ca -0.03 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.60 2iur n GLY 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iur h ALA 418 N 0.35 1.03 -2.97 4.61 0.00 -0.83 -3.46 119.26 117.98 2iur h ALA 418 Ca -0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2iur h ALA 418 Cb 1.13 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.79 2iur h ALA 418 CO 0.20 0.14 0.22 0.00 0.00 0.00 0.00 179.25 179.81 2iur s ALA 419 N -3.69 -1.54 -0.07 0.00 0.00 -0.97 -4.85 121.76 110.64 2iur s ALA 419 Ca 0.01 0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 2iur s ALA 419 Cb 0.10 0.87 -0.27 0.00 0.00 0.00 0.00 23.12 23.82 2iur s ALA 419 CO 0.59 -0.82 0.57 0.93 0.00 0.00 0.00 175.76 177.03 2iur h GLU 420 N 2.00 0.23 -1.27 0.00 5.08 -1.87 -3.38 114.58 115.37 2iur h GLU 420 Ca -0.31 -0.39 -0.28 0.00 -1.00 0.00 0.00 59.36 57.38 2iur h GLU 420 Cb 1.30 0.15 -0.22 0.00 0.50 0.00 0.00 28.75 30.47 2iur h GLU 420 CO 0.35 1.07 -0.64 0.00 -1.00 0.00 0.00 179.01 178.79 2iur n ALA 421 N -2.82 -0.50 -2.65 3.43 0.00 -1.21 -4.69 120.51 112.06 2iur n ALA 421 Ca -0.25 -1.67 -0.33 0.00 0.00 0.00 0.00 53.44 51.20 2iur n ALA 421 Cb 1.05 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 19.09 2iur n ALA 421 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2iur s SER 422 N 0.30 3.89 -0.07 0.00 0.15 -0.02 -1.21 113.70 116.74 2iur s SER 422 Ca 0.31 -0.27 0.11 0.00 0.70 0.00 0.00 55.95 56.80 2iur s SER 422 Cb 0.04 -1.03 0.17 0.00 -1.71 0.00 0.00 66.02 63.49 2iur s SER 422 CO -0.11 0.29 1.09 0.18 1.20 0.00 0.00 173.24 175.88 2iur n LEU 423 N 2.70 2.20 -3.70 3.45 4.77 -1.26 -3.46 117.00 121.70 2iur n LEU 423 Ca -0.17 -2.62 -0.11 0.00 -0.03 0.00 0.00 56.01 53.07 2iur n LEU 423 Cb 0.52 -0.25 -0.12 0.00 -2.33 0.00 0.00 43.42 41.25 2iur n LEU 423 CO 0.27 0.62 -0.02 -1.58 -1.33 0.00 0.00 177.39 175.34 2iur s GLN 424 N -2.07 0.30 0.07 3.23 0.74 -1.26 -4.54 119.66 116.12 2iur s GLN 424 Ca 0.18 0.73 0.06 0.00 0.05 0.00 0.00 55.36 56.38 2iur s GLN 424 Cb 0.16 -0.02 -0.03 0.00 1.10 0.00 0.00 33.01 34.22 2iur s GLN 424 CO 0.02 -0.18 -0.17 0.54 -0.55 0.00 0.00 175.29 174.94 2iur s VAL 425 N 1.57 1.37 -0.02 1.34 0.11 -1.26 -1.47 120.40 122.04 2iur s VAL 425 Ca -0.08 -1.27 -0.05 0.00 -2.93 0.00 0.00 61.98 57.66 2iur s VAL 425 Cb -0.10 -1.25 0.01 0.00 -1.53 0.00 0.00 36.38 33.51 2iur s VAL 425 CO -0.11 -0.04 0.12 -1.10 -3.33 0.00 0.00 175.10 170.64 2iur s GLN 426 N -1.52 0.29 0.48 1.54 -0.21 -0.51 -4.53 119.66 115.19 2iur s GLN 426 Ca 0.03 -0.10 -0.19 0.00 0.02 0.00 0.00 55.36 55.12 2iur s GLN 426 Cb -0.09 0.12 -0.09 0.00 1.00 0.00 0.00 33.01 33.95 2iur s GLN 426 CO 0.02 -0.06 0.99 -0.06 -2.12 0.00 0.00 175.29 174.07 2iur s PHE 427 N -0.59 3.26 0.11 0.91 0.40 -1.26 -0.27 117.98 120.54 2iur s PHE 427 Ca -0.07 1.55 -0.31 0.00 -0.60 0.00 0.00 56.93 57.50 2iur s PHE 427 Cb -0.04 -2.89 -0.08 0.00 0.51 0.00 0.00 43.02 40.52 2iur s PHE 427 CO 0.01 -0.42 1.46 -1.58 0.70 0.00 0.00 175.22 175.39 2iur s HIS 428 N -2.30 3.08 0.33 0.36 5.65 -0.45 -4.88 115.29 117.07 2iur s HIS 428 Ca 0.62 0.79 -0.29 0.00 0.25 0.00 0.00 55.06 56.43 2iur s HIS 428 Cb -0.11 -3.77 -0.10 0.00 -1.18 0.00 0.00 32.58 27.41 2iur s HIS 428 CO 0.22 -2.81 1.39 -1.25 -0.65 0.00 0.00 174.74 171.64 2iur s PRO 429 N 1.38 4.26 -0.09 2.88 0.04 -1.26 -4.86 135.00 137.35 2iur s PRO 429 Ca 0.67 2.34 0.04 0.00 0.04 0.00 0.00 61.00 64.09 2iur s PRO 429 Cb -0.38 -3.05 -0.00 0.00 0.04 0.00 0.00 34.50 31.11 2iur s PRO 429 CO 0.30 -0.34 -0.24 0.08 0.04 0.00 0.00 177.00 176.85 2iur s VAL 430 N -0.91 2.03 0.00 -0.36 1.01 -1.26 -4.77 120.40 116.14 2iur s VAL 430 Ca 0.52 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2iur s VAL 430 Cb -0.42 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.21 2iur s VAL 430 CO 0.54 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.80 2iur n GLY 431 N 3.46 3.18 0.74 4.51 0.00 -1.26 -4.86 105.19 110.95 2iur n GLY 431 Ca -0.19 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2iur n GLY 431 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iur n GLY 432 N 0.00 0.65 0.00 -0.02 0.00 -1.26 -4.98 105.19 99.58 2iur n GLY 432 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2iur n GLY 432 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73