#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 4.03 -0.05 -0.14 2.02 -1.26 -5.09 118.70 118.21 2iur s GLU 74 Ca 0.00 1.00 0.01 0.00 0.02 0.00 0.00 54.97 55.99 2iur s GLU 74 Cb 0.00 -2.15 0.02 0.00 0.10 0.00 0.00 34.13 32.10 2iur s GLU 74 CO 0.00 -0.20 -0.03 0.08 0.02 0.00 0.00 175.26 175.13 2iur s VAL 75 N -2.50 0.45 -0.10 2.63 1.01 -1.26 -5.12 120.40 115.50 2iur s VAL 75 Ca 0.60 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.24 2iur s VAL 75 Cb -0.10 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 2iur s VAL 75 CO 0.26 0.22 1.20 -0.22 0.00 0.00 0.00 175.10 176.56 2iur s LEU 76 N 1.11 4.23 0.16 3.92 2.96 -1.26 -5.03 118.68 124.78 2iur s LEU 76 Ca -0.08 1.73 0.11 0.00 -0.22 0.00 0.00 54.13 55.67 2iur s LEU 76 Cb -0.14 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2iur s LEU 76 CO -0.01 -0.64 -0.24 0.42 -1.32 0.00 0.00 176.35 174.55 2iur s THR 77 N 2.68 2.37 0.00 3.68 -4.23 -1.26 -5.15 115.64 113.73 2iur s THR 77 Ca 0.54 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 2iur s THR 77 Cb -0.23 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.51 2iur s THR 77 CO 0.18 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 2iur n GLY 78 N 0.53 3.62 2.01 3.99 0.00 -1.26 -4.88 105.19 109.21 2iur n GLY 78 Ca -0.15 -2.09 -0.00 0.00 0.00 0.00 0.00 46.02 43.78 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 0.45 3.87 -0.02 0.00 -1.26 -5.03 105.19 108.20 2iur n GLY 79 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 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 0.38 1.61 4.02 -1.26 -5.05 115.29 116.45 2iur s HIS 80 Ca 0.00 1.03 -0.01 0.00 1.02 0.00 0.00 55.06 57.10 2iur s HIS 80 Cb 0.00 -2.42 -0.03 0.00 -1.02 0.00 0.00 32.58 29.10 2iur s HIS 80 CO 0.00 -0.06 0.61 -1.12 1.02 0.00 0.00 174.74 175.18 2iur s SER 81 N -3.07 6.27 0.26 1.40 0.01 -1.26 -4.68 113.70 112.64 2iur s SER 81 Ca 0.51 0.56 -0.31 0.00 1.31 0.00 0.00 55.95 58.02 2iur s SER 81 Cb -0.10 -2.07 -0.13 0.00 0.21 0.00 0.00 66.02 63.93 2iur s SER 81 CO 0.30 -0.37 1.36 0.52 0.41 0.00 0.00 173.24 175.46 2iur n VAL 82 N -1.90 1.19 0.67 3.43 0.31 0.29 -4.88 118.33 117.44 2iur n VAL 82 Ca -0.03 -0.30 0.13 0.00 -0.01 0.00 0.00 64.34 64.13 2iur n VAL 82 Cb 0.56 -1.46 0.45 0.00 -0.91 0.00 0.00 33.84 32.48 2iur n VAL 82 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2iur n SER 83 N 1.85 0.66 -4.59 4.52 3.41 -1.26 -4.80 113.62 113.40 2iur n SER 83 Ca 0.10 0.57 -0.28 0.00 -0.26 0.00 0.00 58.87 59.00 2iur n SER 83 Cb 0.32 -0.74 -0.09 0.00 -0.26 0.00 0.00 64.21 63.44 2iur n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2iur s ALA 84 N -3.10 3.00 0.76 7.33 0.00 -1.26 -5.11 121.76 123.39 2iur s ALA 84 Ca 0.11 -1.38 -0.14 0.00 0.00 0.00 0.00 51.96 50.55 2iur s ALA 84 Cb 0.13 -0.84 0.06 0.00 0.00 0.00 0.00 23.12 22.47 2iur s ALA 84 CO 0.57 0.53 1.18 -1.25 0.00 0.00 0.00 175.76 176.79 2iur s PRO 85 N -2.65 2.00 0.31 0.00 0.04 -1.26 -4.88 135.00 128.56 2iur s PRO 85 Ca 0.24 1.65 0.05 0.00 0.04 0.00 0.00 61.00 62.99 2iur s PRO 85 Cb -0.10 -1.83 0.70 0.00 0.04 0.00 0.00 34.50 33.31 2iur s PRO 85 CO 0.15 -1.92 1.83 1.96 0.04 0.00 0.00 177.00 179.07 2iur h GLN 86 N -0.60 0.80 0.00 4.56 4.20 -1.98 -0.38 115.11 121.71 2iur h GLN 86 Ca -0.46 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.20 2iur h GLN 86 Cb 1.28 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.88 2iur h GLN 86 CO 0.49 0.53 0.00 1.05 -0.67 0.00 0.00 178.83 180.23 2iur h GLU 87 N 0.83 0.00 -0.01 1.46 4.11 -1.90 -1.47 114.58 117.60 2iur h GLU 87 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.94 2iur h GLU 87 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2iur h GLU 87 CO -0.28 0.00 -0.37 0.09 0.07 0.00 0.00 179.01 178.52 2iur n ASN 88 N -2.33 1.01 -4.83 3.06 4.13 -0.15 -4.95 115.26 111.19 2iur n ASN 88 Ca 0.00 -0.82 -0.38 0.00 1.68 0.00 0.00 54.58 55.07 2iur n ASN 88 Cb 0.15 0.24 -0.06 0.00 -1.54 0.00 0.00 39.78 38.57 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 -2.64 3.99 0.18 3.52 0.52 -0.55 -1.17 118.95 122.80 2iur s ARG 89 Ca 0.20 0.49 0.06 0.00 -0.52 0.00 0.00 55.73 55.96 2iur s ARG 89 Cb 0.19 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.44 2iur s ARG 89 CO 0.58 0.64 -0.13 0.96 0.02 0.00 0.00 175.30 177.37 2iur s ILE 90 N -1.17 1.49 -0.19 1.52 -4.36 0.12 -1.08 121.20 117.53 2iur s ILE 90 Ca 0.28 -2.12 0.00 0.00 -0.26 0.00 0.00 60.65 58.55 2iur s ILE 90 Cb -0.17 -1.93 0.04 0.00 1.25 0.00 0.00 42.46 41.65 2iur s ILE 90 CO 0.16 -0.64 -0.08 -0.31 0.24 0.00 0.00 174.94 174.31 2iur s TYR 91 N -3.04 2.15 -0.34 1.37 1.51 0.51 -1.44 117.35 118.07 2iur s TYR 91 Ca 0.19 -1.42 -0.09 0.00 -1.01 0.00 0.00 57.07 54.74 2iur s TYR 91 Cb 0.00 -1.52 0.01 0.00 -0.11 0.00 0.00 41.96 40.35 2iur s TYR 91 CO 0.04 -0.70 0.16 0.08 -1.11 0.00 0.00 175.55 174.02 2iur s VAL 92 N 1.48 4.42 -0.65 0.71 1.01 0.31 -1.40 120.40 126.29 2iur s VAL 92 Ca -0.01 -0.72 -0.26 0.00 0.00 0.00 0.00 61.98 60.99 2iur s VAL 92 Cb -0.16 -3.38 0.04 0.00 0.00 0.00 0.00 36.38 32.88 2iur s VAL 92 CO -0.08 -0.09 1.13 -0.32 0.00 0.00 0.00 175.10 175.75 2iur s MET 93 N 1.55 3.27 -0.44 2.72 1.75 -0.51 -0.86 119.30 126.78 2iur s MET 93 Ca 0.03 -0.25 -0.21 0.00 -1.25 0.00 0.00 55.69 54.00 2iur s MET 93 Cb -0.18 -4.13 0.02 0.00 2.84 0.00 0.00 34.83 33.38 2iur s MET 93 CO 0.06 -1.85 0.64 0.34 -0.65 0.00 0.00 175.02 173.56 2iur s ASP 94 N 3.39 6.32 0.45 1.11 -1.08 0.50 -4.13 116.67 123.23 2iur s ASP 94 Ca 0.33 -0.35 0.24 0.00 -0.52 0.00 0.00 52.55 52.25 2iur s ASP 94 Cb -0.11 -2.32 1.06 0.00 -1.46 0.00 0.00 42.92 40.09 2iur s ASP 94 CO 0.17 -0.78 1.90 0.77 0.52 0.00 0.00 175.17 177.74 2iur h SER 95 N 8.88 0.00 -6.70 -0.34 4.64 -1.44 -1.74 113.55 116.85 2iur h SER 95 Ca -0.25 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.52 2iur h SER 95 Cb 1.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2iur h SER 95 CO 0.90 0.22 -0.98 0.52 -0.87 0.00 0.00 176.83 176.62 2iur n VAL 96 N -3.53 -3.60 0.03 0.95 0.31 -1.25 -4.19 118.33 107.05 2iur n VAL 96 Ca -0.01 -0.70 0.11 0.00 -0.01 0.00 0.00 64.34 63.73 2iur n VAL 96 Cb 0.38 -2.86 0.56 0.00 -0.91 0.00 0.00 33.84 31.01 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 -2.28 0.26 0.00 3.52 3.57 -1.91 0.43 116.94 120.53 2iur h PHE 97 Ca -0.69 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 60.80 2iur h PHE 97 Cb 1.39 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.04 2iur h PHE 97 CO 0.38 0.13 -0.09 0.52 -2.23 0.00 0.00 178.31 177.02 2iur h MET 98 N 0.25 0.00 -1.83 1.11 2.86 -1.98 -3.25 114.93 112.09 2iur h MET 98 Ca 0.19 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.33 2iur h MET 98 Cb 0.41 0.00 -0.37 0.00 0.06 0.00 0.00 31.60 31.70 2iur h MET 98 CO -0.04 0.09 -1.10 0.72 1.06 0.00 0.00 176.91 177.65 2iur n HIS 99 N -3.71 -0.35 0.34 -0.22 8.25 0.14 -5.01 115.22 114.67 2iur n HIS 99 Ca -0.02 -3.54 0.14 0.00 -0.26 0.00 0.00 57.72 54.04 2iur n HIS 99 Cb 0.20 -0.22 0.59 0.00 1.12 0.00 0.00 29.99 31.68 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 3.50 0.00 0.00 2.41 5.85 -1.23 0.63 115.31 126.46 2iur h LEU 100 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2iur h LEU 100 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2iur h LEU 100 CO 0.46 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 178.91 2iur n THR 101 N -2.59 0.58 -2.32 1.05 -2.24 -1.26 -1.85 114.28 105.65 2iur n THR 101 Ca 0.01 0.14 -0.20 0.00 -2.27 0.00 0.00 64.05 61.73 2iur n THR 101 Cb 0.25 -0.84 0.02 0.00 -2.10 0.00 0.00 70.33 67.66 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 -1.37 3.11 -1.35 -0.78 2.13 0.21 -3.69 120.64 118.91 2iur n GLU 102 Ca 0.07 -4.10 -0.33 0.00 0.66 0.00 0.00 57.16 53.46 2iur n GLU 102 Cb 0.17 -2.10 0.09 0.00 0.27 0.00 0.00 31.44 29.88 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 -3.57 4.24 0.20 4.31 1.04 -0.67 -4.84 113.70 114.40 2iur s SER 103 Ca 0.45 2.15 -0.23 0.00 0.48 0.00 0.00 55.95 58.80 2iur s SER 103 Cb 0.40 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 64.00 2iur s SER 103 CO -0.04 -2.22 0.72 0.00 0.98 0.00 0.00 173.24 172.69 2iur s ARG 104 N -4.25 1.45 -0.20 4.02 3.03 -0.65 -1.27 118.95 121.08 2iur s ARG 104 Ca 0.69 -0.71 -0.09 0.00 2.03 0.00 0.00 55.73 57.65 2iur s ARG 104 Cb -0.24 0.56 -0.05 0.00 -1.03 0.00 0.00 34.95 34.19 2iur s ARG 104 CO 0.48 -0.66 0.10 0.08 -1.13 0.00 0.00 175.30 174.18 2iur s VAL 105 N -3.71 5.09 -0.16 4.99 1.01 -0.09 -0.37 120.40 127.16 2iur s VAL 105 Ca 0.07 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.06 2iur s VAL 105 Cb -0.03 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2iur s VAL 105 CO -0.02 0.43 0.08 -1.00 0.00 0.00 0.00 175.10 174.59 2iur s HIS 106 N 0.52 3.34 -0.23 5.22 3.76 -0.04 -1.23 115.29 126.63 2iur s HIS 106 Ca 0.06 0.23 -0.07 0.00 -0.15 0.00 0.00 55.06 55.12 2iur s HIS 106 Cb -0.12 -2.02 -0.03 0.00 1.11 0.00 0.00 32.58 31.51 2iur s HIS 106 CO 0.00 0.34 0.06 0.08 -0.85 0.00 0.00 174.74 174.38 2iur s VAL 107 N -0.09 4.38 0.19 -0.90 1.01 0.18 -0.53 120.40 124.65 2iur s VAL 107 Ca 0.08 -0.15 0.10 0.00 0.00 0.00 0.00 61.98 62.00 2iur s VAL 107 Cb -0.12 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2iur s VAL 107 CO 0.01 0.37 -0.20 -0.31 0.00 0.00 0.00 175.10 174.97 2iur s TYR 108 N 1.34 2.00 -0.35 5.22 1.51 -0.52 -0.30 117.35 126.25 2iur s TYR 108 Ca 0.05 -0.43 -0.20 0.00 -1.01 0.00 0.00 57.07 55.48 2iur s TYR 108 Cb -0.15 -0.97 0.00 0.00 -0.11 0.00 0.00 41.96 40.73 2iur s TYR 108 CO 0.03 0.43 0.62 0.34 -1.11 0.00 0.00 175.55 175.86 2iur s ASP 109 N -2.83 6.42 0.53 2.29 -1.08 -0.05 -0.70 116.67 121.25 2iur s ASP 109 Ca 0.19 0.17 0.33 0.00 -0.52 0.00 0.00 52.55 52.72 2iur s ASP 109 Cb -0.06 -2.32 1.31 0.00 -1.46 0.00 0.00 42.92 40.39 2iur s ASP 109 CO 0.09 -0.56 1.96 0.10 0.52 0.00 0.00 175.17 177.27 2iur h TYR 110 N 8.42 0.00 0.00 -5.34 -0.00 -1.47 0.38 116.97 118.96 2iur h TYR 110 Ca -0.27 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.41 2iur h TYR 110 Cb 1.11 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.84 2iur h TYR 110 CO 0.75 0.00 -0.25 1.79 -0.00 0.00 0.00 178.16 180.45 2iur h THR 111 N 0.00 0.51 0.00 -0.90 1.35 -1.93 -3.38 112.91 108.56 2iur h THR 111 Ca 0.00 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 2iur h THR 111 Cb 0.51 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 2iur h THR 111 CO 0.00 0.24 0.00 -0.46 -0.25 0.00 0.00 175.52 175.05 2iur n ASN 112 N -3.27 0.00 -0.03 5.36 0.23 -1.18 -5.04 115.26 111.33 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 0.52 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.22 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 0.37 3.73 4.83 0.00 0.12 -5.00 105.19 109.23 2iur n GLY 113 Ca 0.00 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.79 4.48 -0.10 1.61 2.20 -1.22 -4.78 119.74 121.15 2iur s LYS 114 Ca 0.00 1.82 -0.30 0.00 -0.36 0.00 0.00 55.97 57.14 2iur s LYS 114 Cb 0.00 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 2iur s LYS 114 CO 0.00 -0.13 1.27 0.12 -0.36 0.00 0.00 175.35 176.25 2iur s PHE 115 N 0.32 2.96 -0.07 4.03 5.36 -1.26 -0.87 117.98 128.45 2iur s PHE 115 Ca 0.55 1.04 0.17 0.00 -0.96 0.00 0.00 56.93 57.73 2iur s PHE 115 Cb -0.31 -3.50 -0.25 0.00 -0.34 0.00 0.00 43.02 38.61 2iur s PHE 115 CO 0.34 -1.70 0.28 1.28 -1.46 0.00 0.00 175.22 173.96 2iur n LEU 116 N 5.90 0.00 0.00 6.12 4.77 0.59 -4.96 117.00 129.42 2iur n LEU 116 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2iur n LEU 116 Cb 0.45 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2iur n LEU 116 CO 0.56 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 2iur n GLY 117 N 1.65 -1.40 3.42 -0.72 0.00 -1.17 -4.76 105.19 102.21 2iur n GLY 117 Ca -0.11 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.96 1.25 -0.13 1.61 0.23 -1.26 -0.64 119.30 118.40 2iur s MET 118 Ca 0.00 -0.65 -0.00 0.00 -1.03 0.00 0.00 55.69 54.01 2iur s MET 118 Cb 0.00 0.54 0.02 0.00 -1.53 0.00 0.00 34.83 33.86 2iur s MET 118 CO 0.00 -0.53 -0.10 0.08 -2.03 0.00 0.00 175.02 172.44 2iur s VAL 119 N -3.80 1.24 0.30 5.16 1.01 -0.36 -4.98 120.40 118.98 2iur s VAL 119 Ca 0.04 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 2iur s VAL 119 Cb -0.00 -1.22 -0.10 0.00 0.00 0.00 0.00 36.38 35.06 2iur s VAL 119 CO -0.10 0.40 1.21 -2.16 0.00 0.00 0.00 175.10 174.45 2iur s PRO 120 N 1.62 4.49 -0.05 2.72 0.04 -1.26 -0.91 135.00 141.66 2iur s PRO 120 Ca 0.05 2.01 0.21 0.00 0.04 0.00 0.00 61.00 63.31 2iur s PRO 120 Cb -0.13 -3.13 0.39 0.00 0.04 0.00 0.00 34.50 31.67 2iur s PRO 120 CO -0.09 0.00 1.17 0.25 0.04 0.00 0.00 177.00 178.37 2iur n THR 121 N 1.03 0.51 -1.22 1.26 -2.24 -0.39 -4.91 114.28 108.32 2iur n THR 121 Ca -0.00 -1.42 0.00 0.00 -2.27 0.00 0.00 64.05 60.35 2iur n THR 121 Cb 0.43 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 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 0.07 0.00 -2.65 6.98 0.00 -1.22 -3.37 120.51 120.33 2iur n ALA 122 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 2iur n ALA 122 Cb 1.01 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.42 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 3.33 -1.14 0.00 5.36 -1.23 -1.67 117.98 122.63 2iur s PHE 123 Ca 0.00 1.20 -0.25 0.00 -0.96 0.00 0.00 56.93 56.92 2iur s PHE 123 Cb 0.00 -3.08 0.02 0.00 -0.34 0.00 0.00 43.02 39.61 2iur s PHE 123 CO 0.00 -0.40 0.73 -1.71 -1.46 0.00 0.00 175.22 172.38 2iur n ASN 124 N 5.99 -4.84 -4.78 6.13 5.15 -0.77 -3.72 115.26 118.42 2iur n ASN 124 Ca 0.07 -1.12 -0.35 0.00 -0.60 0.00 0.00 54.58 52.58 2iur n ASN 124 Cb 0.47 -2.54 -0.01 0.00 -0.53 0.00 0.00 39.78 37.18 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 -3.45 2.57 0.26 8.20 0.00 -1.22 -4.78 107.32 108.91 2iur s GLY 125 Ca 0.44 0.74 0.11 0.00 0.00 0.00 0.00 44.72 46.01 2iur s GLY 125 CO 0.91 1.08 -0.15 0.30 0.00 0.00 0.00 173.10 175.24 2iur s HIS 126 N -1.87 2.41 -0.01 1.90 3.76 -0.21 -4.95 115.29 116.32 2iur s HIS 126 Ca 0.71 -0.30 -0.11 0.00 -0.15 0.00 0.00 55.06 55.21 2iur s HIS 126 Cb -0.21 -1.07 0.01 0.00 1.11 0.00 0.00 32.58 32.42 2iur s HIS 126 CO 0.25 0.66 0.22 0.54 -0.85 0.00 0.00 174.74 175.56 2iur s VAL 127 N -2.32 0.07 0.13 -0.90 0.11 -1.26 -1.19 120.40 115.04 2iur s VAL 127 Ca 0.29 -0.55 -0.17 0.00 -2.93 0.00 0.00 61.98 58.62 2iur s VAL 127 Cb -0.06 -0.51 0.04 0.00 -1.53 0.00 0.00 36.38 34.32 2iur s VAL 127 CO 0.16 -0.30 0.42 0.00 -3.33 0.00 0.00 175.10 172.04 2iur s GLN 128 N -1.27 1.10 -0.09 1.54 -2.07 -0.50 -5.02 119.66 113.36 2iur s GLN 128 Ca -0.13 -0.69 -0.05 0.00 -1.82 0.00 0.00 55.36 52.67 2iur s GLN 128 Cb -0.06 0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 32.30 2iur s GLN 128 CO 0.03 -0.44 0.12 0.08 -1.32 0.00 0.00 175.29 173.76 2iur s VAL 129 N -3.80 5.26 0.46 3.63 1.01 -1.26 -0.82 120.40 124.88 2iur s VAL 129 Ca 0.03 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 2iur s VAL 129 Cb 0.01 -3.32 -0.08 0.00 0.00 0.00 0.00 36.38 32.99 2iur s VAL 129 CO -0.12 0.54 1.27 -1.54 0.00 0.00 0.00 175.10 175.26 2iur n SER 130 N 1.75 2.49 0.22 3.32 3.41 0.23 -4.86 113.62 120.18 2iur n SER 130 Ca -0.18 1.06 0.11 0.00 -0.26 0.00 0.00 58.87 59.61 2iur n SER 130 Cb 0.54 -1.51 0.70 0.00 -0.26 0.00 0.00 64.21 63.68 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 1.86 0.00 -0.00 4.04 2.35 -1.91 0.16 115.58 122.08 2iur h ASN 131 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 2iur h ASN 131 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 2iur h ASN 131 CO 0.59 0.00 -0.00 -0.90 -1.65 0.00 0.00 177.43 175.47 2iur n ASP 132 N -4.37 0.34 0.00 5.81 5.68 -1.26 -3.96 116.55 118.78 2iur n ASP 132 Ca -0.01 -1.11 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 2iur n ASP 132 Cb 0.18 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 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 1.04 1.22 0.09 6.12 0.00 0.56 -4.89 105.19 109.33 2iur n GLY 133 Ca 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 2iur n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iur h LYS 134 N 2.95 0.00 -5.06 1.61 1.57 -1.92 -3.46 116.57 112.26 2iur h LYS 134 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 2iur h LYS 134 Cb 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.13 2iur h LYS 134 CO 0.00 0.40 -0.74 0.15 -0.57 0.00 0.00 179.45 178.68 2iur s LYS 135 N -2.82 0.87 -0.13 3.15 -0.14 -1.26 -1.78 119.74 117.63 2iur s LYS 135 Ca -0.03 -1.14 -0.03 0.00 -1.36 0.00 0.00 55.97 53.41 2iur s LYS 135 Cb 0.08 -0.62 -0.03 0.00 -1.68 0.00 0.00 37.83 35.59 2iur s LYS 135 CO 0.81 0.10 -0.04 0.42 -0.76 0.00 0.00 175.35 175.89 2iur s ILE 136 N -2.26 3.94 -0.12 2.17 1.01 0.08 -0.60 121.20 125.41 2iur s ILE 136 Ca 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.31 2iur s ILE 136 Cb -0.04 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 2iur s ILE 136 CO 0.01 0.53 -0.01 -0.31 0.00 0.00 0.00 174.94 175.16 2iur s TYR 137 N -0.07 3.11 0.22 3.97 4.12 0.00 -0.73 117.35 127.97 2iur s TYR 137 Ca 0.02 -0.01 0.10 0.00 0.02 0.00 0.00 57.07 57.20 2iur s TYR 137 Cb -0.13 -1.89 -0.05 0.00 -1.52 0.00 0.00 41.96 38.38 2iur s TYR 137 CO 0.02 0.24 -0.19 0.95 0.02 0.00 0.00 175.55 176.59 2iur s THR 138 N -0.25 2.13 -0.04 -0.71 -4.23 -0.38 -1.41 115.64 110.76 2iur s THR 138 Ca 0.05 -2.19 0.02 0.00 -1.18 0.00 0.00 61.69 58.39 2iur s THR 138 Cb -0.12 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.62 2iur s THR 138 CO 0.02 -0.38 -0.09 -0.32 -0.54 0.00 0.00 174.62 173.30 2iur s MET 139 N -3.25 1.13 0.31 3.99 1.75 -0.34 -0.56 119.30 122.33 2iur s MET 139 Ca 0.24 -0.30 -0.19 0.00 -1.25 0.00 0.00 55.69 54.18 2iur s MET 139 Cb -0.05 -1.02 0.04 0.00 2.84 0.00 0.00 34.83 36.65 2iur s MET 139 CO 0.10 0.06 0.80 -0.08 -0.65 0.00 0.00 175.02 175.25 2iur s THR 140 N 0.42 0.00 -0.08 10.11 -1.32 -0.65 -1.05 115.64 123.08 2iur s THR 140 Ca -0.07 -0.94 0.04 0.00 -1.21 0.00 0.00 61.69 59.51 2iur s THR 140 Cb -0.11 -2.45 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 2iur s THR 140 CO 0.01 0.00 -0.20 -0.89 -2.21 0.00 0.00 174.62 171.34 2iur s THR 141 N -3.03 1.69 0.23 5.08 2.01 -1.24 -1.46 115.64 118.90 2iur s THR 141 Ca 0.14 -0.82 0.09 0.00 0.31 0.00 0.00 61.69 61.41 2iur s THR 141 Cb -0.05 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 2iur s THR 141 CO 0.08 0.48 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.13 2iur s TYR 142 N 0.32 2.66 0.09 4.92 1.51 -0.07 -3.48 117.35 123.30 2iur s TYR 142 Ca -0.13 -0.22 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 2iur s TYR 142 Cb -0.16 -1.23 -0.03 0.00 -0.11 0.00 0.00 41.96 40.43 2iur s TYR 142 CO 0.06 0.58 -0.11 -1.01 -1.11 0.00 0.00 175.55 173.95 2iur s HIS 143 N -2.05 1.11 0.35 2.71 3.76 -1.26 -0.47 115.29 119.45 2iur s HIS 143 Ca 0.28 -0.58 0.11 0.00 -0.15 0.00 0.00 55.06 54.72 2iur s HIS 143 Cb -0.07 -0.61 0.89 0.00 1.11 0.00 0.00 32.58 33.89 2iur s HIS 143 CO 0.18 0.03 1.80 0.93 -0.85 0.00 0.00 174.74 176.82 2iur h GLU 144 N 3.81 0.59 -0.17 1.40 5.08 -1.50 -1.97 114.58 121.83 2iur h GLU 144 Ca -0.38 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 57.76 2iur h GLU 144 Cb 1.19 -0.13 -0.26 0.00 0.50 0.00 0.00 28.75 30.05 2iur h GLU 144 CO 0.48 0.39 -0.83 0.54 -1.00 0.00 0.00 179.01 178.59 2iur n ARG 145 N -4.68 1.30 0.00 2.33 5.12 -0.45 -5.02 116.66 115.26 2iur n ARG 145 Ca 0.23 -2.98 0.00 0.00 -1.93 0.00 0.00 57.85 53.17 2iur n ARG 145 Cb 0.66 -1.11 0.00 0.00 -1.16 0.00 0.00 32.46 30.84 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 -0.39 0.00 1.02 0.55 5.41 -0.74 -3.35 119.36 121.86 2iur n ILE 146 Ca 0.16 0.00 0.12 0.00 1.00 0.00 0.00 62.75 64.03 2iur n ILE 146 Cb 0.91 0.00 0.12 0.00 -0.71 0.00 0.00 39.64 39.96 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 -3.98 1.39 -2.24 -1.26 -4.50 114.28 103.70 2iur n THR 147 Ca 0.00 -0.48 -0.09 0.00 -2.27 0.00 0.00 64.05 61.21 2iur n THR 147 Cb 0.00 1.45 -0.06 0.00 -2.10 0.00 0.00 70.33 69.62 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 1.46 0.02 -0.78 1.70 -1.21 -5.15 118.95 112.97 2iur s ARG 148 Ca 0.28 -1.22 0.00 0.00 -0.47 0.00 0.00 55.73 54.32 2iur s ARG 148 Cb 0.20 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 35.03 2iur s ARG 148 CO 0.31 -0.60 0.00 0.41 -1.08 0.00 0.00 175.30 174.35 2iur n GLY 149 N -0.35 -3.43 3.74 3.88 0.00 -1.26 -1.35 105.19 106.43 2iur n GLY 149 Ca -0.03 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.94 4.41 0.16 1.61 2.20 -1.26 -4.46 119.74 121.45 2iur s LYS 150 Ca 0.00 2.05 -0.30 0.00 -0.36 0.00 0.00 55.97 57.36 2iur s LYS 150 Cb 0.00 -3.18 -0.07 0.00 -1.51 0.00 0.00 37.83 33.07 2iur s LYS 150 CO 0.00 -0.19 0.98 0.50 -0.36 0.00 0.00 175.35 176.28 2iur s ARG 151 N -0.53 4.72 -0.19 4.03 3.52 -1.26 -2.00 118.95 127.24 2iur s ARG 151 Ca 0.54 1.52 -0.01 0.00 -0.13 0.00 0.00 55.73 57.65 2iur s ARG 151 Cb -0.36 -3.33 0.05 0.00 -1.56 0.00 0.00 34.95 29.75 2iur s ARG 151 CO 0.41 0.27 -0.03 -1.12 -0.81 0.00 0.00 175.30 174.02 2iur s SER 152 N -0.36 3.17 -0.07 -2.12 0.01 0.38 -4.98 113.70 109.74 2iur s SER 152 Ca 0.46 -0.86 -0.17 0.00 1.31 0.00 0.00 55.95 56.69 2iur s SER 152 Cb -0.25 -0.93 -0.05 0.00 0.21 0.00 0.00 66.02 65.00 2iur s SER 152 CO 0.32 -0.23 0.46 -1.81 0.41 0.00 0.00 173.24 172.38 2iur s ASP 153 N 1.61 6.74 0.05 2.44 1.11 -1.26 -0.89 116.67 126.46 2iur s ASP 153 Ca -0.02 0.88 -0.05 0.00 0.18 0.00 0.00 52.55 53.54 2iur s ASP 153 Cb -0.17 -2.28 -0.01 0.00 1.07 0.00 0.00 42.92 41.53 2iur s ASP 153 CO -0.07 0.12 0.09 0.68 1.18 0.00 0.00 175.17 177.17 2iur s VAL 154 N -0.01 0.15 -0.14 -1.27 -7.23 -0.54 -1.33 120.40 110.02 2iur s VAL 154 Ca 0.25 -1.21 -0.06 0.00 -1.81 0.00 0.00 61.98 59.15 2iur s VAL 154 Cb -0.16 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 2iur s VAL 154 CO 0.12 -0.67 0.09 -0.69 -0.31 0.00 0.00 175.10 173.63 2iur s VAL 155 N -2.98 5.04 -0.03 1.32 1.01 -0.43 -1.64 120.40 122.69 2iur s VAL 155 Ca -0.02 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.04 2iur s VAL 155 Cb 0.01 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 2iur s VAL 155 CO -0.06 0.55 -0.13 -1.61 0.00 0.00 0.00 175.10 173.84 2iur s GLU 156 N -0.43 2.45 -0.20 2.72 2.02 0.28 -0.10 118.70 125.44 2iur s GLU 156 Ca 0.10 -0.74 -0.08 0.00 0.02 0.00 0.00 54.97 54.28 2iur s GLU 156 Cb -0.12 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 2iur s GLU 156 CO 0.02 0.61 0.08 0.08 0.02 0.00 0.00 175.26 176.07 2iur s VAL 157 N -0.80 4.88 0.05 2.63 1.01 0.12 -1.24 120.40 127.04 2iur s VAL 157 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.19 2iur s VAL 157 Cb -0.11 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2iur s VAL 157 CO 0.02 0.43 -0.22 0.26 0.00 0.00 0.00 175.10 175.59 2iur s TRP 158 N 0.60 1.91 0.16 5.22 0.52 0.09 -0.45 118.94 127.00 2iur s TRP 158 Ca 0.04 -0.39 -0.30 0.00 0.02 0.00 0.00 56.10 55.47 2iur s TRP 158 Cb -0.13 -1.13 -0.08 0.00 -1.15 0.00 0.00 33.47 30.98 2iur s TRP 158 CO 0.01 0.12 1.28 0.34 0.02 0.00 0.00 176.95 178.72 2iur s ASP 159 N -1.29 6.96 0.26 2.95 -1.08 -0.00 -0.74 116.67 123.72 2iur s ASP 159 Ca 0.08 2.29 0.10 0.00 -0.52 0.00 0.00 52.55 54.51 2iur s ASP 159 Cb -0.09 -2.60 0.33 0.00 -1.46 0.00 0.00 42.92 39.09 2iur s ASP 159 CO 0.02 -0.50 1.60 0.00 0.52 0.00 0.00 175.17 176.81 2iur h ALA 160 N 5.78 0.95 0.08 3.66 0.00 -1.65 -0.42 119.26 127.66 2iur h ALA 160 Ca -0.44 -0.58 -0.33 0.00 0.00 0.00 0.00 54.91 53.56 2iur h ALA 160 Cb 1.21 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2iur h ALA 160 CO 0.79 0.79 -1.86 -0.44 0.00 0.00 0.00 179.25 178.53 2iur h ASP 161 N 0.01 0.26 0.55 0.00 3.32 -1.92 -3.36 116.42 115.28 2iur h ASP 161 Ca -0.01 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.47 2iur h ASP 161 Cb 1.12 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2iur h ASP 161 CO 0.08 1.51 -0.64 0.29 -1.72 0.00 0.00 179.24 178.76 2iur n LYS 162 N -3.31 0.12 -3.94 3.56 4.76 -1.24 -0.55 118.16 117.56 2iur n LYS 162 Ca -0.25 0.02 -0.27 0.00 -2.87 0.00 0.00 58.31 54.94 2iur n LYS 162 Cb 1.05 -1.56 -0.01 0.00 -1.84 0.00 0.00 35.03 32.68 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 -1.72 -2.37 -4.46 -0.35 4.77 -0.17 -4.90 117.00 107.81 2iur n LEU 163 Ca 0.04 -0.94 -0.29 0.00 -0.03 0.00 0.00 56.01 54.79 2iur n LEU 163 Cb 0.38 -2.34 -0.12 0.00 -2.33 0.00 0.00 43.42 39.01 2iur n LEU 163 CO 0.37 0.41 -0.51 0.42 -1.33 0.00 0.00 177.39 176.74 2iur s THR 164 N -3.72 2.66 0.25 -5.08 -4.23 -1.23 -4.93 115.64 99.36 2iur s THR 164 Ca 0.20 -1.60 -0.30 0.00 -1.18 0.00 0.00 61.69 58.82 2iur s THR 164 Cb -0.10 -2.21 -0.09 0.00 1.34 0.00 0.00 72.50 71.43 2iur s THR 164 CO 0.87 0.09 1.19 0.12 -0.54 0.00 0.00 174.62 176.35 2iur s PHE 165 N -1.14 3.40 -0.03 3.99 5.36 -1.26 -0.82 117.98 127.47 2iur s PHE 165 Ca 0.17 1.50 -0.01 0.00 -0.96 0.00 0.00 56.93 57.63 2iur s PHE 165 Cb -0.10 -3.44 -0.01 0.00 -0.34 0.00 0.00 43.02 39.12 2iur s PHE 165 CO 0.09 -1.15 -0.03 0.39 -1.46 0.00 0.00 175.22 173.06 2iur n GLU 166 N 1.73 0.06 -3.76 10.12 1.02 0.40 -4.89 120.64 125.32 2iur n GLU 166 Ca 0.02 0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.05 2iur n GLU 166 Cb 0.44 -0.71 -0.10 0.00 -0.02 0.00 0.00 31.44 31.05 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 -2.05 0.50 -0.12 3.49 2.20 -0.99 -4.99 119.74 117.78 2iur s LYS 167 Ca -0.04 0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 55.72 2iur s LYS 167 Cb 0.01 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.54 2iur s LYS 167 CO 0.05 -0.10 -0.06 -2.00 -0.36 0.00 0.00 175.35 172.87 2iur s GLU 168 N -0.50 3.28 -0.20 4.03 2.12 -1.26 -0.70 118.70 125.47 2iur s GLU 168 Ca -0.06 -0.55 -0.02 0.00 0.36 0.00 0.00 54.97 54.70 2iur s GLU 168 Cb -0.04 -2.75 0.00 0.00 0.26 0.00 0.00 34.13 31.61 2iur s GLU 168 CO 0.02 0.40 -0.11 0.42 -0.54 0.00 0.00 175.26 175.45 2iur s ILE 169 N -0.10 2.87 0.18 -3.70 1.01 0.85 -5.00 121.20 117.32 2iur s ILE 169 Ca 0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 2iur s ILE 169 Cb -0.13 -2.26 -0.08 0.00 0.01 0.00 0.00 42.46 39.99 2iur s ILE 169 CO 0.03 0.48 1.20 -0.44 0.00 0.00 0.00 174.94 176.20 2iur s SER 170 N 1.29 7.08 0.23 3.58 0.01 -1.26 -1.31 113.70 123.32 2iur s SER 170 Ca 0.03 2.23 0.09 0.00 1.31 0.00 0.00 55.95 59.62 2iur s SER 170 Cb -0.14 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 2iur s SER 170 CO -0.06 -0.37 -0.04 -0.76 0.41 0.00 0.00 173.24 172.42 2iur s LEU 171 N -0.23 3.11 0.63 2.44 1.43 -0.44 -4.31 118.68 121.30 2iur s LEU 171 Ca 0.53 -0.63 -0.17 0.00 -1.03 0.00 0.00 54.13 52.83 2iur s LEU 171 Cb -0.33 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 2iur s LEU 171 CO 0.37 0.04 1.19 -2.16 0.23 0.00 0.00 176.35 176.02 2iur s PRO 172 N -3.35 2.77 -1.37 1.29 0.04 -1.26 -4.43 135.00 128.68 2iur s PRO 172 Ca 0.29 1.75 -0.09 0.00 0.04 0.00 0.00 61.00 62.99 2iur s PRO 172 Cb -0.07 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 2iur s PRO 172 CO 0.18 -1.35 2.97 -0.35 0.04 0.00 0.00 177.00 178.49 2iur n PRO 173 N -1.95 3.36 -0.62 0.56 -0.04 -1.26 -3.76 135.00 131.29 2iur n PRO 173 Ca 0.13 -1.99 -0.00 0.00 -0.04 0.00 0.00 63.50 61.60 2iur n PRO 173 Cb 0.50 -2.67 -0.00 0.00 -0.04 0.00 0.00 33.50 31.29 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 3.50 0.00 -1.96 0.54 2.85 -1.26 -5.02 118.16 116.81 2iur n LYS 174 Ca 0.72 -0.77 -0.38 0.00 -1.05 0.00 0.00 58.31 56.83 2iur n LYS 174 Cb 0.30 -0.24 0.02 0.00 -0.65 0.00 0.00 35.03 34.46 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 3.31 0.22 -1.58 1.04 -1.25 -0.69 118.95 120.00 2iur s ARG 175 Ca 0.03 2.04 -0.31 0.00 -1.04 0.00 0.00 55.73 56.44 2iur s ARG 175 Cb 0.03 -2.26 -0.11 0.00 -2.04 0.00 0.00 34.95 30.57 2iur s ARG 175 CO -0.02 -0.99 1.62 0.54 -0.04 0.00 0.00 175.30 176.41 2iur s VAL 176 N -1.42 2.24 -0.30 4.99 0.11 -0.32 -4.62 120.40 121.09 2iur s VAL 176 Ca 0.70 0.19 -0.06 0.00 -2.93 0.00 0.00 61.98 59.87 2iur s VAL 176 Cb -0.35 -3.12 0.02 0.00 -1.53 0.00 0.00 36.38 31.39 2iur s VAL 176 CO 0.42 0.02 0.06 -1.10 -3.33 0.00 0.00 175.10 171.17 2iur s GLN 177 N 0.57 2.98 0.00 1.54 -0.21 -1.26 -5.02 119.66 118.25 2iur s GLN 177 Ca 0.69 -0.92 0.00 0.00 0.02 0.00 0.00 55.36 55.15 2iur s GLN 177 Cb -0.47 -3.33 0.00 0.00 1.00 0.00 0.00 33.01 30.21 2iur s GLN 177 CO 0.37 -0.47 0.00 0.41 -2.12 0.00 0.00 175.29 173.48 2iur n GLY 178 N 4.83 -0.89 3.72 3.09 0.00 -1.26 -5.13 105.19 109.54 2iur n GLY 178 Ca -0.14 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 2iur n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iur s LEU 179 N 0.00 3.17 -1.45 0.99 1.43 -1.26 -4.87 118.68 116.70 2iur s LEU 179 Ca 0.00 2.25 -0.09 0.00 -1.03 0.00 0.00 54.13 55.26 2iur s LEU 179 Cb 0.00 -4.58 0.04 0.00 0.03 0.00 0.00 46.19 41.69 2iur s LEU 179 CO 0.00 -2.44 2.47 0.59 0.23 0.00 0.00 176.35 177.20 2iur n ASN 180 N -3.18 7.00 -4.76 2.29 3.02 -1.26 -4.95 115.26 113.42 2iur n ASN 180 Ca 0.12 -2.88 -0.40 0.00 -0.03 0.00 0.00 54.58 51.39 2iur n ASN 180 Cb 0.51 -1.51 -0.04 0.00 -0.61 0.00 0.00 39.78 38.14 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 1.07 3.40 0.29 3.10 1.51 -1.26 -4.50 117.35 120.95 2iur s TYR 181 Ca 0.56 1.58 0.03 0.00 -1.01 0.00 0.00 57.07 58.23 2iur s TYR 181 Cb 0.16 -3.42 0.61 0.00 -0.11 0.00 0.00 41.96 39.20 2iur s TYR 181 CO -0.06 -1.02 1.81 -0.44 -1.11 0.00 0.00 175.55 174.73 2iur h ASP 182 N 3.80 0.87 0.17 2.29 3.32 -1.93 -2.77 116.42 122.18 2iur h ASP 182 Ca -0.47 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2iur h ASP 182 Cb 1.22 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2iur h ASP 182 CO 0.67 0.42 0.00 0.61 -1.72 0.00 0.00 179.24 179.22 2iur n GLY 183 N -1.34 -0.73 0.10 2.75 0.00 -1.26 -2.63 105.19 102.07 2iur n GLY 183 Ca 0.20 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.25 2iur n GLY 183 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2iur h LEU 184 N 0.00 0.00 -6.26 0.99 3.38 -1.79 0.17 115.31 111.81 2iur h LEU 184 Ca 0.00 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 2iur h LEU 184 Cb 0.08 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 40.56 2iur h LEU 184 CO 0.00 0.05 -0.53 0.12 0.09 0.00 0.00 178.44 178.17 2iur s PHE 185 N -3.15 -1.09 0.05 1.13 5.36 -1.08 -1.72 117.98 117.47 2iur s PHE 185 Ca 0.08 0.29 0.01 0.00 -0.96 0.00 0.00 56.93 56.35 2iur s PHE 185 Cb 0.12 -0.09 -0.00 0.00 -0.34 0.00 0.00 43.02 42.71 2iur s PHE 185 CO 0.66 -1.01 0.02 0.54 -1.46 0.00 0.00 175.22 173.97 2iur n ARG 186 N 5.19 0.69 -3.76 10.12 5.12 -0.04 -4.83 116.66 129.16 2iur n ARG 186 Ca 0.03 -0.43 -0.10 0.00 -1.93 0.00 0.00 57.85 55.41 2iur n ARG 186 Cb 0.50 0.26 -0.07 0.00 -1.16 0.00 0.00 32.46 32.00 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 -2.19 0.89 0.73 5.56 -2.07 -1.26 -0.91 119.66 120.41 2iur s GLN 187 Ca 0.03 -0.74 -0.13 0.00 -1.82 0.00 0.00 55.36 52.70 2iur s GLN 187 Cb 0.00 0.38 0.04 0.00 -1.09 0.00 0.00 33.01 32.34 2iur s GLN 187 CO 0.02 -0.30 1.13 0.95 -1.32 0.00 0.00 175.29 175.76 2iur s THR 188 N -3.40 2.96 0.29 3.63 -4.23 -0.14 -4.81 115.64 109.94 2iur s THR 188 Ca 0.01 0.40 0.02 0.00 -1.18 0.00 0.00 61.69 60.93 2iur s THR 188 Cb 0.02 -2.86 0.29 0.00 1.34 0.00 0.00 72.50 71.29 2iur s THR 188 CO -0.09 -0.33 1.85 0.74 -0.54 0.00 0.00 174.62 176.26 2iur h THR 189 N -0.57 0.94 0.00 3.99 2.02 -1.69 -0.10 112.91 117.50 2iur h THR 189 Ca -0.46 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.38 2iur h THR 189 Cb 1.25 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2iur h THR 189 CO 0.51 0.18 0.00 -0.90 0.37 0.00 0.00 175.52 175.68 2iur n ASP 190 N -4.59 0.00 0.00 4.18 5.68 -0.47 -4.88 116.55 116.47 2iur n ASP 190 Ca 0.18 -0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 2iur n ASP 190 Cb 0.33 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 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 0.62 0.73 0.17 6.12 0.00 -0.05 -4.89 105.19 107.89 2iur n GLY 191 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 2.10 0.00 -4.58 1.61 1.57 -1.90 -3.45 116.57 111.92 2iur h LYS 192 Ca 0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 2iur h LYS 192 Cb 0.04 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 32.03 2iur h LYS 192 CO 0.00 0.00 -0.80 -0.06 -0.57 0.00 0.00 179.45 178.02 2iur s PHE 193 N -3.23 1.10 0.01 -1.35 0.40 -1.26 -2.34 117.98 111.30 2iur s PHE 193 Ca 0.05 -0.31 -0.21 0.00 -0.60 0.00 0.00 56.93 55.86 2iur s PHE 193 Cb 0.08 -0.80 -0.05 0.00 0.51 0.00 0.00 43.02 42.75 2iur s PHE 193 CO 0.70 -0.15 0.63 0.42 0.70 0.00 0.00 175.22 177.51 2iur s ILE 194 N 0.36 4.87 -0.16 0.64 1.01 0.04 -0.97 121.20 126.99 2iur s ILE 194 Ca -0.07 1.32 0.00 0.00 0.00 0.00 0.00 60.65 61.91 2iur s ILE 194 Cb -0.11 -3.97 0.03 0.00 0.01 0.00 0.00 42.46 38.42 2iur s ILE 194 CO 0.01 0.41 -0.13 -0.69 0.00 0.00 0.00 174.94 174.54 2iur s VAL 195 N -0.17 1.55 0.08 2.92 1.01 -0.09 -0.77 120.40 124.92 2iur s VAL 195 Ca 0.32 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2iur s VAL 195 Cb -0.19 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 2iur s VAL 195 CO 0.18 0.38 -0.10 -1.48 0.00 0.00 0.00 175.10 174.08 2iur s LEU 196 N 1.48 2.35 -0.07 3.92 0.05 -0.36 -0.86 118.68 125.20 2iur s LEU 196 Ca 0.03 -0.73 -0.21 0.00 0.05 0.00 0.00 54.13 53.28 2iur s LEU 196 Cb -0.14 -0.28 -0.04 0.00 -2.05 0.00 0.00 46.19 43.68 2iur s LEU 196 CO -0.10 -0.23 0.61 -1.58 -0.55 0.00 0.00 176.35 174.49 2iur s GLN 197 N -2.38 4.38 0.13 1.48 2.00 -0.70 -0.42 119.66 124.15 2iur s GLN 197 Ca 0.01 0.71 0.04 0.00 -2.00 0.00 0.00 55.36 54.12 2iur s GLN 197 Cb -0.05 -3.42 -0.04 0.00 0.80 0.00 0.00 33.01 30.30 2iur s GLN 197 CO 0.00 0.16 0.10 -0.80 -0.50 0.00 0.00 175.29 174.26 2iur s ASN 198 N 0.52 5.48 -0.18 6.67 0.01 0.07 -1.18 114.94 126.33 2iur s ASN 198 Ca 0.32 -0.10 -0.07 0.00 -0.71 0.00 0.00 52.86 52.31 2iur s ASN 198 Cb -0.17 -1.43 0.08 0.00 0.41 0.00 0.00 41.25 40.13 2iur s ASN 198 CO 0.15 0.11 0.39 0.00 -1.51 0.00 0.00 177.10 176.25 2iur s ALA 199 N -1.59 -1.02 -0.28 0.60 0.00 0.13 -2.92 121.76 116.68 2iur s ALA 199 Ca 0.30 1.42 0.05 0.00 0.00 0.00 0.00 51.96 53.72 2iur s ALA 199 Cb -0.11 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 2iur s ALA 199 CO 0.22 -0.57 0.26 -1.13 0.00 0.00 0.00 175.76 174.55 2iur n SER 200 N 5.00 0.39 -0.34 0.00 3.41 -1.26 -4.69 113.62 116.13 2iur n SER 200 Ca -0.13 -0.70 0.12 0.00 -0.26 0.00 0.00 58.87 57.91 2iur n SER 200 Cb 0.51 0.85 0.28 0.00 -0.26 0.00 0.00 64.21 65.60 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 -0.90 1.02 -1.71 4.33 -0.04 -1.26 -5.10 135.00 131.34 2iur n PRO 201 Ca 0.01 -0.69 -0.43 0.00 -0.04 0.00 0.00 63.50 62.36 2iur n PRO 201 Cb 0.08 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.04 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 -0.39 1.47 -2.80 0.55 0.00 -1.26 -4.96 120.51 113.11 2iur n ALA 202 Ca 0.12 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.59 2iur n ALA 202 Cb 0.39 -2.29 -0.05 0.00 0.00 0.00 0.00 19.45 17.50 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 -0.92 5.33 0.25 0.00 -4.23 -1.26 -4.07 115.64 110.73 2iur s THR 203 Ca 0.57 -0.01 -0.18 0.00 -1.18 0.00 0.00 61.69 60.89 2iur s THR 203 Cb -0.56 -3.58 0.02 0.00 1.34 0.00 0.00 72.50 69.72 2iur s THR 203 CO 0.60 0.28 0.61 -0.94 -0.54 0.00 0.00 174.62 174.63 2iur s SER 204 N -1.97 -0.23 -0.15 3.99 1.04 -1.15 -3.54 113.70 111.69 2iur s SER 204 Ca 0.30 -0.63 -0.03 0.00 0.48 0.00 0.00 55.95 56.07 2iur s SER 204 Cb -0.13 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 2iur s SER 204 CO 0.20 -1.21 -0.05 -0.63 0.98 0.00 0.00 173.24 172.52 2iur s ILE 205 N -3.93 3.74 -0.06 -1.02 1.01 -1.14 -0.75 121.20 119.06 2iur s ILE 205 Ca 0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 2iur s ILE 205 Cb -0.03 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 2iur s ILE 205 CO 0.04 0.50 0.15 -0.83 0.00 0.00 0.00 174.94 174.81 2iur s GLY 206 N 0.31 2.15 -0.14 6.18 0.00 0.44 -0.06 107.32 116.20 2iur s GLY 206 Ca -0.05 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 43.97 2iur s GLY 206 CO 0.03 -0.55 -0.21 -0.42 0.00 0.00 0.00 173.10 171.96 2iur s ILE 207 N -1.19 2.19 -0.16 0.90 -1.09 -0.33 -1.22 121.20 120.31 2iur s ILE 207 Ca 0.22 -0.94 -0.02 0.00 -2.23 0.00 0.00 60.65 57.68 2iur s ILE 207 Cb -0.12 -1.88 -0.01 0.00 -1.58 0.00 0.00 42.46 38.86 2iur s ILE 207 CO 0.12 0.54 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.59 2iur s VAL 208 N 0.72 3.25 -0.42 2.92 1.01 0.05 -0.39 120.40 127.53 2iur s VAL 208 Ca -0.09 -0.58 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 2iur s VAL 208 Cb -0.16 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.84 2iur s VAL 208 CO 0.00 0.50 0.97 -0.62 0.00 0.00 0.00 175.10 175.95 2iur s ASP 209 N 0.62 6.61 0.10 3.32 -1.08 0.15 -0.78 116.67 125.61 2iur s ASP 209 Ca -0.06 0.40 -0.16 0.00 -0.52 0.00 0.00 52.55 52.21 2iur s ASP 209 Cb -0.15 -2.48 -0.07 0.00 -1.46 0.00 0.00 42.92 38.76 2iur s ASP 209 CO 0.03 -1.01 1.48 0.58 0.52 0.00 0.00 175.17 176.77 2iur h VAL 210 N 5.99 1.29 -0.28 1.11 2.07 -1.76 0.58 116.25 125.25 2iur h VAL 210 Ca -0.23 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 2iur h VAL 210 Cb 1.07 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 2iur h VAL 210 CO 1.03 0.37 0.18 0.00 0.02 0.00 0.00 177.57 179.16 2iur h ALA 211 N 0.78 0.36 0.00 1.67 0.00 -1.93 -2.56 119.26 117.58 2iur h ALA 211 Ca 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2iur h ALA 211 Cb 0.60 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2iur h ALA 211 CO 0.03 -0.14 -0.15 0.87 0.00 0.00 0.00 179.25 179.86 2iur h LYS 212 N 0.37 0.00 -4.26 0.00 1.57 -1.94 -3.47 116.57 108.84 2iur h LYS 212 Ca 0.10 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.63 2iur h LYS 212 Cb 0.00 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.41 2iur h LYS 212 CO -0.02 0.15 -0.46 0.41 -0.57 0.00 0.00 179.45 178.95 2iur n GLY 213 N 0.81 -0.05 2.99 3.86 0.00 0.17 -5.02 105.19 107.94 2iur n GLY 213 Ca 0.02 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.37 0.47 -0.32 1.61 1.01 -1.02 -4.69 116.67 110.36 2iur s ASP 214 Ca 0.30 -0.42 -0.27 0.00 0.71 0.00 0.00 52.55 52.87 2iur s ASP 214 Cb -0.13 0.05 0.01 0.00 1.01 0.00 0.00 42.92 43.86 2iur s ASP 214 CO 0.48 -0.19 0.96 -0.47 0.21 0.00 0.00 175.17 176.16 2iur s TYR 215 N -1.13 3.16 -0.18 4.23 5.04 -1.26 -0.67 117.35 126.54 2iur s TYR 215 Ca -0.10 1.03 0.05 0.00 -2.44 0.00 0.00 57.07 55.61 2iur s TYR 215 Cb -0.08 -3.52 -0.06 0.00 0.35 0.00 0.00 41.96 38.65 2iur s TYR 215 CO -0.00 -0.70 0.19 1.33 -1.34 0.00 0.00 175.55 175.03 2iur n VAL 216 N 5.76 0.00 -3.64 3.14 0.24 0.48 -4.97 118.33 119.34 2iur n VAL 216 Ca 0.09 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.34 61.93 2iur n VAL 216 Cb 0.47 0.85 -0.07 0.00 -1.47 0.00 0.00 33.84 33.62 2iur n VAL 216 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2iur s GLU 217 N -1.69 0.80 -0.22 7.34 2.56 -1.19 -4.78 118.70 121.53 2iur s GLU 217 Ca 0.01 0.85 0.01 0.00 0.00 0.00 0.00 54.97 55.85 2iur s GLU 217 Cb 0.04 0.39 0.05 0.00 2.00 0.00 0.00 34.13 36.61 2iur s GLU 217 CO 0.21 -0.11 -0.09 0.34 -0.56 0.00 0.00 175.26 175.04 2iur s ASP 218 N 0.20 3.69 -0.99 -1.70 -1.08 -1.26 -1.18 116.67 114.33 2iur s ASP 218 Ca -0.01 -1.04 -0.18 0.00 -0.52 0.00 0.00 52.55 50.79 2iur s ASP 218 Cb -0.04 -1.28 0.13 0.00 -1.46 0.00 0.00 42.92 40.27 2iur s ASP 218 CO 0.02 -0.17 1.22 -0.69 0.52 0.00 0.00 175.17 176.07 2iur s VAL 219 N 1.34 4.69 -0.03 1.11 1.01 0.91 -4.81 120.40 124.63 2iur s VAL 219 Ca -0.04 -1.70 0.31 0.00 0.00 0.00 0.00 61.98 60.56 2iur s VAL 219 Cb -0.17 -4.84 0.37 0.00 0.00 0.00 0.00 36.38 31.74 2iur s VAL 219 CO -0.07 -1.58 1.92 0.71 0.00 0.00 0.00 175.10 176.08 2iur h THR 220 N 5.71 0.00 -0.03 3.92 1.35 -1.91 -2.71 112.91 119.24 2iur h THR 220 Ca 0.20 -0.50 0.01 0.00 -0.55 0.00 0.00 66.41 65.56 2iur h THR 220 Cb 0.99 1.47 -0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2iur h THR 220 CO 1.17 0.00 0.11 0.00 -0.25 0.00 0.00 175.52 176.55 2iur h ALA 221 N 2.05 1.28 -0.29 6.62 0.00 -1.94 -1.74 119.26 125.24 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 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2iur h ALA 221 CO 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.12 2iur n ALA 222 N -2.11 2.49 -1.70 0.00 0.00 -1.03 -4.93 120.51 113.22 2iur n ALA 222 Ca -0.02 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.45 2iur n ALA 222 Cb 0.18 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 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 0.36 1.58 -0.97 0.00 0.00 -0.66 -0.89 120.51 119.93 2iur n ALA 223 Ca 0.10 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2iur n ALA 223 Cb 0.27 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 1.85 0.90 3.95 0.00 0.00 -1.26 -4.93 105.19 105.69 2iur n GLY 224 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.63 -0.93 0.00 0.00 -0.11 0.36 -4.87 118.94 110.76 2iur s TRP 226 Ca 0.48 1.86 0.00 0.00 1.22 0.00 0.00 56.10 59.66 2iur s TRP 226 Cb -0.04 0.52 0.00 0.00 -1.50 0.00 0.00 33.47 32.45 2iur s TRP 226 CO 0.29 -0.48 0.00 -1.13 -4.62 0.00 0.00 176.95 171.02 2iur n SER 227 N 4.42 0.00 -4.03 5.86 3.41 -1.26 -2.81 113.62 119.21 2iur n SER 227 Ca -0.20 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.11 2iur n SER 227 Cb 0.57 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.35 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 -2.82 1.54 -0.35 -3.33 1.01 0.59 -4.17 120.40 112.87 2iur s VAL 228 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2iur s VAL 228 Cb 0.00 -1.43 0.09 0.00 0.00 0.00 0.00 36.38 35.04 2iur s VAL 228 CO 0.00 0.45 0.07 -0.63 0.00 0.00 0.00 175.10 174.99 2iur s ILE 229 N 1.30 2.62 0.51 2.22 1.09 0.51 -4.47 121.20 124.98 2iur s ILE 229 Ca 0.01 -2.10 -0.22 0.00 -1.10 0.00 0.00 60.65 57.23 2iur s ILE 229 Cb -0.14 -2.81 -0.06 0.00 -1.06 0.00 0.00 42.46 38.39 2iur s ILE 229 CO -0.07 -0.52 1.26 -2.84 -0.10 0.00 0.00 174.94 172.67 2iur s PRO 230 N 1.02 3.41 -0.43 2.79 0.02 -1.26 -0.58 135.00 139.97 2iur s PRO 230 Ca 0.07 2.00 -0.21 0.00 0.02 0.00 0.00 61.00 62.88 2iur s PRO 230 Cb -0.20 -2.30 0.02 0.00 0.02 0.00 0.00 34.50 32.04 2iur s PRO 230 CO -0.06 -0.90 0.66 -0.65 -0.33 0.00 0.00 177.00 175.72 2iur s GLN 231 N -2.84 3.33 0.00 5.54 -0.21 -0.43 -4.87 119.66 120.18 2iur s GLN 231 Ca 0.68 -0.30 0.14 0.00 0.02 0.00 0.00 55.36 55.91 2iur s GLN 231 Cb -0.34 -3.94 0.71 0.00 1.00 0.00 0.00 33.01 30.44 2iur s GLN 231 CO 0.41 -1.00 1.41 -2.30 -2.12 0.00 0.00 175.29 171.68 2iur n PRO 232 N 6.30 0.17 -0.10 2.91 -0.02 -1.24 -2.64 135.00 140.38 2iur n PRO 232 Ca -0.01 0.17 0.12 0.00 -2.02 0.00 0.00 63.50 61.76 2iur n PRO 232 Cb 0.48 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.64 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 -1.32 3.17 -4.07 2.55 6.94 -1.03 -4.92 115.26 116.58 2iur n ASN 233 Ca 0.06 -1.98 -0.12 0.00 -0.02 0.00 0.00 54.58 52.52 2iur n ASN 233 Cb 0.12 -0.14 -0.11 0.00 -2.36 0.00 0.00 39.78 37.30 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 -1.73 0.55 0.23 -3.83 0.52 -1.08 -5.08 118.95 108.53 2iur s ARG 234 Ca 0.34 -0.82 0.02 0.00 -0.52 0.00 0.00 55.73 54.74 2iur s ARG 234 Cb 0.21 -0.26 0.23 0.00 0.52 0.00 0.00 34.95 35.66 2iur s ARG 234 CO 0.31 0.04 1.56 -1.00 0.02 0.00 0.00 175.30 176.23 2iur h PRO 235 N 4.31 0.38 -0.48 3.54 0.13 -1.91 -3.38 132.00 134.58 2iur h PRO 235 Ca -0.36 -0.23 -0.25 0.00 -0.87 0.00 0.00 66.00 64.29 2iur h PRO 235 Cb 1.20 0.02 -0.37 0.00 0.13 0.00 0.00 31.00 31.98 2iur h PRO 235 CO 0.44 0.82 -1.03 0.54 -0.23 0.00 0.00 178.00 178.54 2iur n ARG 236 N -3.94 1.57 -4.46 0.86 1.74 -1.26 -1.36 116.66 109.81 2iur n ARG 236 Ca -0.02 -3.19 -0.29 0.00 -0.77 0.00 0.00 57.85 53.58 2iur n ARG 236 Cb 0.58 -1.30 -0.13 0.00 -1.02 0.00 0.00 32.46 30.59 2iur n ARG 236 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2iur s SER 237 N -3.35 3.20 0.17 0.55 0.01 -1.26 -0.55 113.70 112.48 2iur s SER 237 Ca 0.25 -0.72 -0.18 0.00 1.31 0.00 0.00 55.95 56.61 2iur s SER 237 Cb 0.36 -0.22 0.04 0.00 0.21 0.00 0.00 66.02 66.41 2iur s SER 237 CO -0.04 0.18 0.51 0.72 0.41 0.00 0.00 173.24 175.02 2iur s PHE 238 N -1.03 -0.24 0.25 2.43 -0.12 -0.49 -1.32 117.98 117.46 2iur s PHE 238 Ca 0.13 -0.06 0.12 0.00 -0.05 0.00 0.00 56.93 57.06 2iur s PHE 238 Cb -0.10 0.40 -0.05 0.00 -0.63 0.00 0.00 43.02 42.64 2iur s PHE 238 CO 0.05 -0.85 -0.21 -1.64 -0.05 0.00 0.00 175.22 172.53 2iur s MET 239 N -3.83 1.65 0.06 1.99 -1.94 0.26 -0.69 119.30 116.79 2iur s MET 239 Ca 0.05 -1.68 0.01 0.00 -1.71 0.00 0.00 55.69 52.37 2iur s MET 239 Cb -0.00 -1.81 -0.03 0.00 2.01 0.00 0.00 34.83 35.00 2iur s MET 239 CO -0.08 0.35 -0.06 -0.08 -0.01 0.00 0.00 175.02 175.15 2iur s THR 240 N -2.22 0.48 -0.21 2.05 -1.32 0.17 -0.36 115.64 114.22 2iur s THR 240 Ca 0.27 -1.42 -0.15 0.00 -1.21 0.00 0.00 61.69 59.18 2iur s THR 240 Cb -0.06 -1.02 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 2iur s THR 240 CO 0.13 -0.64 0.35 -0.63 -2.21 0.00 0.00 174.62 171.62 2iur s ILE 241 N -2.44 5.23 0.34 5.08 1.01 -1.12 -1.25 121.20 128.04 2iur s ILE 241 Ca -0.02 0.59 0.08 0.00 0.00 0.00 0.00 60.65 61.30 2iur s ILE 241 Cb -0.03 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 2iur s ILE 241 CO -0.03 0.26 0.29 0.00 0.00 0.00 0.00 174.94 175.47 2iur n GLY 243 N -1.38 -1.04 0.30 0.00 0.00 -0.87 -1.09 105.19 101.12 2iur n GLY 243 Ca -0.01 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.18 2iur n GLY 243 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2iur n ASP 244 N -1.86 0.98 0.00 1.61 5.75 -1.26 -4.90 116.55 116.87 2iur n ASP 244 Ca 0.02 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.59 2iur n ASP 244 Cb 0.16 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 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 1.16 0.51 1.97 6.12 0.00 -0.25 -4.80 105.19 109.91 2iur n GLY 245 Ca 0.19 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.95 2.90 3.36 -0.02 0.00 -1.26 -0.14 105.19 107.08 2iur n GLY 246 Ca 0.00 -2.24 -0.32 0.00 0.00 0.00 0.00 46.02 43.46 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 2.42 -0.25 0.99 1.43 -1.26 -1.03 118.68 120.97 2iur s LEU 247 Ca 0.16 -0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 52.79 2iur s LEU 247 Cb -0.01 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 2iur s LEU 247 CO 0.10 0.27 0.16 -0.22 0.23 0.00 0.00 176.35 176.89 2iur s LEU 248 N -0.29 4.01 -0.17 1.79 2.96 -0.38 -0.89 118.68 125.71 2iur s LEU 248 Ca 0.01 0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 53.88 2iur s LEU 248 Cb -0.13 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 2iur s LEU 248 CO 0.03 0.03 0.13 -0.89 -1.32 0.00 0.00 176.35 174.32 2iur s THR 249 N 1.29 5.37 -0.12 3.68 2.01 0.20 -0.66 115.64 127.42 2iur s THR 249 Ca 0.07 0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.27 2iur s THR 249 Cb -0.14 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 68.95 2iur s THR 249 CO 0.06 0.50 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.63 2iur s ILE 250 N -0.06 2.10 -0.28 1.82 -1.09 0.13 -1.44 121.20 122.38 2iur s ILE 250 Ca 0.10 -0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 57.49 2iur s ILE 250 Cb -0.11 -1.81 0.02 0.00 -1.58 0.00 0.00 42.46 38.97 2iur s ILE 250 CO -0.00 0.55 0.01 0.20 -1.23 0.00 0.00 174.94 174.48 2iur s ASN 251 N 0.53 4.77 0.28 3.58 0.01 -0.44 -1.40 114.94 122.27 2iur s ASN 251 Ca -0.14 -0.84 -0.18 0.00 -0.71 0.00 0.00 52.86 50.99 2iur s ASN 251 Cb -0.17 -1.77 -0.09 0.00 0.41 0.00 0.00 41.25 39.63 2iur s ASN 251 CO 0.05 -0.18 0.75 -0.76 -1.51 0.00 0.00 177.10 175.45 2iur s LEU 252 N 1.40 4.21 1.03 0.60 1.43 0.29 -0.09 118.68 127.55 2iur s LEU 252 Ca 0.01 1.39 -0.17 0.00 -1.03 0.00 0.00 54.13 54.33 2iur s LEU 252 Cb -0.17 -3.85 0.23 0.00 0.03 0.00 0.00 46.19 42.42 2iur s LEU 252 CO -0.01 -0.09 1.26 -0.83 0.23 0.00 0.00 176.35 176.91 2iur s GLY 253 N -1.93 1.72 0.00 -3.19 0.00 0.25 -4.71 107.32 99.47 2iur s GLY 253 Ca 0.49 -1.13 0.18 0.00 0.00 0.00 0.00 44.72 44.26 2iur s GLY 253 CO 0.19 -0.32 1.58 1.18 0.00 0.00 0.00 173.10 175.73 2iur n GLU 254 N -4.07 0.08 0.00 2.90 1.02 -1.26 -1.08 120.64 118.23 2iur n GLU 254 Ca 0.15 0.16 0.13 0.00 -0.02 0.00 0.00 57.16 57.58 2iur n GLU 254 Cb 0.59 -1.50 0.34 0.00 -0.02 0.00 0.00 31.44 30.85 2iur n GLU 254 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2iur n ASP 255 N -1.44 1.69 0.00 1.62 5.75 -1.26 -4.96 116.55 117.96 2iur n ASP 255 Ca 0.06 -1.41 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 2iur n ASP 255 Cb 0.19 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 2iur n ASP 255 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2iur n GLY 256 N 1.29 0.90 3.89 6.12 0.00 -0.24 -4.98 105.19 112.16 2iur n GLY 256 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.14 3.72 0.05 1.61 1.02 -1.26 -4.62 119.74 120.13 2iur s LYS 257 Ca 0.00 0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.96 2iur s LYS 257 Cb 0.00 -2.50 -0.09 0.00 -0.52 0.00 0.00 37.83 34.72 2iur s LYS 257 CO 0.00 0.08 1.83 0.08 -0.92 0.00 0.00 175.35 176.42 2iur s VAL 258 N -2.23 2.98 -0.13 3.17 1.01 -1.26 -0.58 120.40 123.35 2iur s VAL 258 Ca 0.48 0.22 0.13 0.00 0.00 0.00 0.00 61.98 62.80 2iur s VAL 258 Cb -0.10 -3.14 -0.24 0.00 0.00 0.00 0.00 36.38 32.90 2iur s VAL 258 CO 0.30 -0.01 0.31 0.00 0.00 0.00 0.00 175.10 175.70 2iur n ALA 259 N 6.65 1.45 -3.80 5.51 0.00 0.87 -4.77 120.51 126.41 2iur n ALA 259 Ca 0.18 -1.03 -0.05 0.00 0.00 0.00 0.00 53.44 52.54 2iur n ALA 259 Cb 0.40 -0.48 -0.00 0.00 0.00 0.00 0.00 19.45 19.37 2iur n ALA 259 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2iur s SER 260 N -5.93 -0.14 0.15 0.00 1.04 -0.95 -4.99 113.70 102.88 2iur s SER 260 Ca -0.11 -0.58 -0.18 0.00 0.48 0.00 0.00 55.95 55.56 2iur s SER 260 Cb 0.07 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.81 2iur s SER 260 CO 0.81 -1.10 0.46 0.00 0.98 0.00 0.00 173.24 174.39 2iur s GLN 261 N -3.10 1.17 0.13 4.02 -2.07 -1.26 -1.33 119.66 117.23 2iur s GLN 261 Ca 0.14 -0.70 -0.15 0.00 -1.82 0.00 0.00 55.36 52.83 2iur s GLN 261 Cb -0.03 0.50 0.03 0.00 -1.09 0.00 0.00 33.01 32.42 2iur s GLN 261 CO 0.05 -0.48 0.39 -1.54 -1.32 0.00 0.00 175.29 172.39 2iur s SER 262 N -2.81 -0.19 -0.07 12.60 1.04 -0.52 -4.99 113.70 118.76 2iur s SER 262 Ca 0.04 -0.39 0.04 0.00 0.48 0.00 0.00 55.95 56.12 2iur s SER 262 Cb 0.01 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2iur s SER 262 CO -0.10 -0.86 -0.20 -0.13 0.98 0.00 0.00 173.24 172.93 2iur s ARG 263 N -3.82 2.39 0.87 4.02 1.81 -1.26 -0.62 118.95 122.34 2iur s ARG 263 Ca 0.04 -0.71 -0.12 0.00 -1.72 0.00 0.00 55.73 53.22 2iur s ARG 263 Cb 0.02 -1.91 0.12 0.00 -0.45 0.00 0.00 34.95 32.73 2iur s ARG 263 CO -0.11 0.18 1.17 -1.54 -0.68 0.00 0.00 175.30 174.32 2iur s SER 264 N 0.30 3.88 1.04 0.23 1.04 -0.06 -4.96 113.70 115.17 2iur s SER 264 Ca -0.13 0.84 -0.12 0.00 0.48 0.00 0.00 55.95 57.02 2iur s SER 264 Cb -0.16 -1.35 0.21 0.00 0.10 0.00 0.00 66.02 64.83 2iur s SER 264 CO 0.06 -2.31 1.07 -0.54 0.98 0.00 0.00 173.24 172.50 2iur s LYS 265 N -5.44 0.10 0.18 4.02 1.02 -1.26 -4.57 119.74 113.78 2iur s LYS 265 Ca 0.64 0.67 -0.32 0.00 0.02 0.00 0.00 55.97 56.97 2iur s LYS 265 Cb -0.12 -1.69 -0.11 0.00 -0.52 0.00 0.00 37.83 35.39 2iur s LYS 265 CO 0.51 -2.99 1.66 -1.14 -0.92 0.00 0.00 175.35 172.47 2iur s GLN 266 N -4.80 4.16 -0.22 1.68 0.74 -1.26 -4.45 119.66 115.51 2iur s GLN 266 Ca 0.66 2.50 -0.14 0.00 0.05 0.00 0.00 55.36 58.43 2iur s GLN 266 Cb -0.21 -3.14 -0.18 0.00 1.10 0.00 0.00 33.01 30.58 2iur s GLN 266 CO 0.60 -0.69 0.03 -0.12 -0.55 0.00 0.00 175.29 174.55 2iur n MET 267 N 4.09 0.62 -4.15 1.67 0.00 0.80 -4.92 117.12 115.23 2iur n MET 267 Ca 0.15 0.38 -0.11 0.00 -0.00 0.00 0.00 57.70 58.12 2iur n MET 267 Cb 0.37 -1.64 -0.10 0.00 0.00 0.00 0.00 33.22 31.84 2iur n MET 267 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 2iur s PHE 268 N -2.46 0.87 -0.35 1.12 -0.12 -0.93 -4.79 117.98 111.32 2iur s PHE 268 Ca -0.31 -0.82 -0.27 0.00 -0.05 0.00 0.00 56.93 55.48 2iur s PHE 268 Cb 0.09 -0.50 0.01 0.00 -0.63 0.00 0.00 43.02 41.99 2iur s PHE 268 CO 0.60 -0.12 0.96 0.45 -0.05 0.00 0.00 175.22 177.05 2iur s SER 269 N -2.75 6.75 0.19 1.98 0.15 -1.26 -4.41 113.70 114.35 2iur s SER 269 Ca 0.08 0.72 -0.12 0.00 0.70 0.00 0.00 55.95 57.34 2iur s SER 269 Cb 0.02 -2.48 0.16 0.00 -1.71 0.00 0.00 66.02 62.01 2iur s SER 269 CO -0.03 -0.84 1.82 0.58 1.20 0.00 0.00 173.24 175.96 2iur h VAL 270 N 5.78 1.03 -0.20 4.45 2.07 -1.88 -0.09 116.25 127.41 2iur h VAL 270 Ca -0.23 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 66.92 2iur h VAL 270 Cb 1.07 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2iur h VAL 270 CO 0.99 0.12 -0.40 0.11 0.02 0.00 0.00 177.57 178.41 2iur h LYS 271 N 0.68 0.63 0.00 1.57 1.57 -1.96 -3.33 116.57 115.74 2iur h LYS 271 Ca 0.25 -0.41 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 2iur h LYS 271 Cb 0.07 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2iur h LYS 271 CO -0.12 1.03 -1.95 -0.25 -0.57 0.00 0.00 179.45 177.58 2iur n ASP 272 N -4.23 0.17 -2.90 0.86 8.00 -1.14 -4.68 116.55 112.64 2iur n ASP 272 Ca -0.06 0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.39 2iur n ASP 272 Cb 0.54 1.37 0.03 0.00 -0.02 0.00 0.00 41.12 43.04 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 -2.51 -1.48 -4.77 -2.24 2.03 -0.06 -5.01 116.55 102.51 2iur n ASP 273 Ca -0.12 -3.31 -0.40 0.00 0.52 0.00 0.00 54.79 51.48 2iur n ASP 273 Cb 0.76 1.01 0.01 0.00 -0.72 0.00 0.00 41.12 42.18 2iur n ASP 273 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2iur s PRO 274 N -0.38 3.85 0.16 -0.67 0.04 -1.20 -4.45 135.00 132.35 2iur s PRO 274 Ca 0.30 2.41 -0.03 0.00 0.04 0.00 0.00 61.00 63.72 2iur s PRO 274 Cb 0.27 -2.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.00 2iur s PRO 274 CO -0.12 -0.68 0.38 0.96 0.04 0.00 0.00 177.00 177.58 2iur s ILE 275 N -1.19 5.19 0.38 0.56 -4.36 -1.26 -1.01 121.20 119.51 2iur s ILE 275 Ca 0.58 -0.12 -0.27 0.00 -0.26 0.00 0.00 60.65 60.58 2iur s ILE 275 Cb -0.43 -3.66 -0.09 0.00 1.25 0.00 0.00 42.46 39.52 2iur s ILE 275 CO 0.57 -0.04 1.26 -0.36 0.24 0.00 0.00 174.94 176.61 2iur s PHE 276 N -1.73 2.97 0.14 1.37 0.40 -0.07 -4.90 117.98 116.16 2iur s PHE 276 Ca 0.40 1.46 0.24 0.00 -0.60 0.00 0.00 56.93 58.43 2iur s PHE 276 Cb -0.12 -3.59 0.94 0.00 0.51 0.00 0.00 43.02 40.76 2iur s PHE 276 CO 0.27 -1.79 1.83 -0.84 0.70 0.00 0.00 175.22 175.39 2iur h ILE 277 N 2.60 0.55 -2.60 0.64 3.07 -1.91 -3.42 117.51 116.43 2iur h ILE 277 Ca -0.49 -1.10 -0.54 0.00 1.55 0.00 0.00 64.86 64.28 2iur h ILE 277 Cb 1.24 1.75 -0.00 0.00 -0.27 0.00 0.00 36.82 39.54 2iur h ILE 277 CO 0.63 0.22 1.08 0.00 -1.05 0.00 0.00 178.15 179.03 2iur s ALA 278 N -3.67 3.62 0.29 0.16 0.00 -1.26 -4.98 121.76 115.92 2iur s ALA 278 Ca 0.00 1.02 -0.22 0.00 0.00 0.00 0.00 51.96 52.77 2iur s ALA 278 Cb 0.10 -3.75 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 2iur s ALA 278 CO 0.63 -1.36 0.83 -1.25 0.00 0.00 0.00 175.76 174.62 2iur s PRO 279 N 3.83 4.34 -0.66 0.00 0.04 -1.26 -4.67 135.00 136.62 2iur s PRO 279 Ca 0.75 1.04 -0.17 0.00 0.04 0.00 0.00 61.00 62.66 2iur s PRO 279 Cb -0.35 -2.72 0.13 0.00 0.04 0.00 0.00 34.50 31.60 2iur s PRO 279 CO 0.31 0.28 0.72 0.00 0.04 0.00 0.00 177.00 178.35 2iur s ALA 280 N -1.68 3.57 -0.27 8.56 0.00 0.41 -4.65 121.76 127.70 2iur s ALA 280 Ca 0.49 -2.54 -0.11 0.00 0.00 0.00 0.00 51.96 49.80 2iur s ALA 280 Cb -0.16 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 2iur s ALA 280 CO 0.21 -2.35 0.18 -1.17 0.00 0.00 0.00 175.76 172.63 2iur s LEU 281 N 2.03 4.04 0.00 0.00 2.96 -1.26 -1.21 118.68 125.24 2iur s LEU 281 Ca 0.13 0.02 0.08 0.00 -0.22 0.00 0.00 54.13 54.14 2iur s LEU 281 Cb -0.21 -2.12 0.08 0.00 0.50 0.00 0.00 46.19 44.45 2iur s LEU 281 CO 0.01 -0.02 0.67 -0.67 -1.32 0.00 0.00 176.35 175.02 2iur n ASP 282 N 4.87 1.89 0.06 3.68 -0.08 0.57 -4.74 116.55 122.80 2iur n ASP 282 Ca -0.14 -2.36 -0.01 0.00 -1.51 0.00 0.00 54.79 50.77 2iur n ASP 282 Cb 0.52 -0.34 0.27 0.00 2.34 0.00 0.00 41.12 43.91 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 0.37 0.00 -0.67 3.64 -1.96 -3.34 116.57 114.62 2iur h LYS 283 Ca -0.24 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2iur h LYS 283 Cb 1.09 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2iur h LYS 283 CO 0.35 0.57 -0.03 -0.40 -2.27 0.00 0.00 179.45 177.67 2iur n ASP 284 N -4.17 0.54 -3.65 4.20 5.75 -1.26 -2.46 116.55 115.50 2iur n ASP 284 Ca -0.00 -1.35 -0.10 0.00 -0.01 0.00 0.00 54.79 53.33 2iur n ASP 284 Cb 0.36 -0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.39 2iur n ASP 284 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2iur s LYS 285 N -0.30 1.31 0.01 0.11 -2.85 -1.25 -0.71 119.74 116.04 2iur s LYS 285 Ca 0.01 -0.75 0.02 0.00 -1.00 0.00 0.00 55.97 54.25 2iur s LYS 285 Cb 0.01 0.53 -0.01 0.00 -2.06 0.00 0.00 37.83 36.29 2iur s LYS 285 CO 0.00 -0.55 -0.06 0.00 0.10 0.00 0.00 175.35 174.84 2iur s ALA 286 N -3.83 0.46 0.07 0.59 0.00 -0.02 -0.31 121.76 118.71 2iur s ALA 286 Ca 0.06 -0.40 0.08 0.00 0.00 0.00 0.00 51.96 51.70 2iur s ALA 286 Cb -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2iur s ALA 286 CO -0.07 0.06 -0.19 -1.01 0.00 0.00 0.00 175.76 174.56 2iur s HIS 287 N -0.54 2.53 0.01 0.00 0.09 -0.35 -0.75 115.29 116.28 2iur s HIS 287 Ca -0.02 -0.27 0.04 0.00 -0.00 0.00 0.00 55.06 54.81 2iur s HIS 287 Cb -0.05 -1.42 -0.01 0.00 -0.00 0.00 0.00 32.58 31.10 2iur s HIS 287 CO -0.00 0.29 -0.12 -0.06 -0.00 0.00 0.00 174.74 174.85 2iur s PHE 288 N -0.99 1.06 0.18 1.40 0.40 0.16 -0.45 117.98 119.74 2iur s PHE 288 Ca 0.15 -0.25 0.05 0.00 -0.60 0.00 0.00 56.93 56.28 2iur s PHE 288 Cb -0.10 -0.66 -0.04 0.00 0.51 0.00 0.00 43.02 42.72 2iur s PHE 288 CO 0.07 -0.01 0.20 0.14 0.70 0.00 0.00 175.22 176.32 2iur s VAL 289 N -0.47 4.77 0.33 -0.44 -7.23 -1.26 -0.70 120.40 115.40 2iur s VAL 289 Ca 0.03 -1.01 0.08 0.00 -1.81 0.00 0.00 61.98 59.27 2iur s VAL 289 Cb -0.06 -3.47 -0.04 0.00 0.56 0.00 0.00 36.38 33.38 2iur s VAL 289 CO 0.00 -0.15 0.20 -0.94 -0.31 0.00 0.00 175.10 173.90 2iur s SER 290 N -3.30 4.95 0.61 4.85 1.04 0.38 -0.89 113.70 121.34 2iur s SER 290 Ca 0.32 -0.64 0.32 0.00 0.48 0.00 0.00 55.95 56.43 2iur s SER 290 Cb -0.10 -0.85 1.83 0.00 0.10 0.00 0.00 66.02 67.00 2iur s SER 290 CO 0.25 -0.31 2.17 1.88 0.98 0.00 0.00 173.24 178.22 2iur h TYR 291 N 1.43 0.00 -0.33 5.02 0.99 -1.38 -1.36 116.97 121.34 2iur h TYR 291 Ca -0.44 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.29 2iur h TYR 291 Cb 1.25 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.98 2iur h TYR 291 CO 0.59 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 179.41 2iur n TYR 292 N -3.62 0.43 -0.77 4.88 4.02 -1.26 -4.56 117.16 116.28 2iur n TYR 292 Ca -0.01 -0.30 0.00 0.00 -0.01 0.00 0.00 57.90 57.58 2iur n TYR 292 Cb 0.22 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 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 1.04 0.87 3.96 2.72 0.00 -0.51 -4.92 105.19 108.34 2iur n GLY 293 Ca 0.15 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 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 5.97 -0.05 1.61 0.01 -1.26 -0.66 114.94 118.02 2iur s ASN 294 Ca 0.00 0.21 0.04 0.00 -0.71 0.00 0.00 52.86 52.40 2iur s ASN 294 Cb 0.00 -1.58 -0.00 0.00 0.41 0.00 0.00 41.25 40.08 2iur s ASN 294 CO 0.00 -0.54 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.17 2iur s VAL 295 N -2.41 1.56 0.15 1.60 1.01 0.13 -0.47 120.40 121.97 2iur s VAL 295 Ca 0.45 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.75 2iur s VAL 295 Cb -0.10 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2iur s VAL 295 CO 0.36 0.45 -0.22 -0.31 0.00 0.00 0.00 175.10 175.37 2iur s TYR 296 N 0.06 2.04 0.04 5.22 1.51 0.12 -1.88 117.35 124.46 2iur s TYR 296 Ca -0.05 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.63 2iur s TYR 296 Cb -0.13 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.64 2iur s TYR 296 CO 0.03 0.34 -0.09 -1.12 -1.11 0.00 0.00 175.55 173.59 2iur s SER 297 N -2.31 1.07 -0.17 2.29 0.01 -0.38 -0.67 113.70 113.56 2iur s SER 297 Ca 0.14 -0.49 -0.00 0.00 1.31 0.00 0.00 55.95 56.91 2iur s SER 297 Cb -0.08 -0.01 0.04 0.00 0.21 0.00 0.00 66.02 66.17 2iur s SER 297 CO 0.07 -0.12 -0.07 0.00 0.41 0.00 0.00 173.24 173.53 2iur s ALA 298 N -1.13 1.63 -0.29 1.44 0.00 0.07 -1.17 121.76 122.32 2iur s ALA 298 Ca -0.05 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 2iur s ALA 298 Cb -0.09 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 2iur s ALA 298 CO 0.01 -0.72 0.19 0.34 0.00 0.00 0.00 175.76 175.58 2iur s ASP 299 N 1.57 6.00 -0.26 0.00 -1.08 0.75 -0.84 116.67 122.81 2iur s ASP 299 Ca 0.01 -0.07 0.09 0.00 -0.52 0.00 0.00 52.55 52.06 2iur s ASP 299 Cb -0.15 -2.12 0.44 0.00 -1.46 0.00 0.00 42.92 39.64 2iur s ASP 299 CO -0.08 -0.07 1.24 2.22 0.52 0.00 0.00 175.17 179.00 2iur n PHE 300 N 5.06 1.34 0.23 -5.34 1.16 0.11 -1.24 117.46 118.78 2iur n PHE 300 Ca -0.14 -1.85 0.07 0.00 -1.87 0.00 0.00 57.45 53.65 2iur n PHE 300 Cb 0.52 -0.33 0.54 0.00 -1.61 0.00 0.00 39.48 38.59 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 1.53 0.00 -0.63 5.98 4.64 -1.85 -3.44 113.55 119.79 2iur h SER 301 Ca 0.19 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.97 2iur h SER 301 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2iur h SER 301 CO 0.39 0.18 -0.19 -0.83 -0.87 0.00 0.00 176.83 175.51 2iur s GLY 302 N -4.19 2.05 0.25 -0.77 0.00 -1.26 -5.03 107.32 98.36 2iur s GLY 302 Ca -0.04 -1.69 0.01 0.00 0.00 0.00 0.00 44.72 43.00 2iur s GLY 302 CO 0.68 -1.83 1.66 -0.55 0.00 0.00 0.00 173.10 173.06 2iur h ASP 303 N 0.44 0.52 -3.36 1.64 3.32 -1.96 -3.40 116.42 113.61 2iur h ASP 303 Ca -0.33 -0.20 -0.58 0.00 0.02 0.00 0.00 57.03 55.93 2iur h ASP 303 Cb 1.30 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 40.61 2iur h ASP 303 CO 0.49 0.82 -0.16 -1.61 -1.72 0.00 0.00 179.24 177.06 2iur s GLU 304 N -4.35 4.29 0.02 3.56 0.41 -1.26 -4.96 118.70 116.41 2iur s GLU 304 Ca -0.07 0.37 -0.30 0.00 -0.41 0.00 0.00 54.97 54.56 2iur s GLU 304 Cb 0.13 -3.46 -0.04 0.00 -1.78 0.00 0.00 34.13 28.98 2iur s GLU 304 CO 0.80 0.10 1.05 0.08 -0.49 0.00 0.00 175.26 176.80 2iur s VAL 305 N 0.82 4.62 -0.17 2.63 1.01 -1.26 -4.82 120.40 123.22 2iur s VAL 305 Ca 0.24 1.88 -0.07 0.00 0.00 0.00 0.00 61.98 64.03 2iur s VAL 305 Cb -0.15 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2iur s VAL 305 CO 0.09 0.15 0.07 -0.54 0.00 0.00 0.00 175.10 174.87 2iur s LYS 306 N 1.02 3.85 0.13 2.72 1.02 -0.37 -4.68 119.74 123.42 2iur s LYS 306 Ca 0.54 -0.32 0.10 0.00 0.02 0.00 0.00 55.97 56.31 2iur s LYS 306 Cb -0.24 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 2iur s LYS 306 CO 0.28 0.37 -0.20 0.14 -0.92 0.00 0.00 175.35 175.03 2iur s VAL 307 N 0.10 2.72 0.29 3.17 -7.23 -1.26 -0.18 120.40 118.01 2iur s VAL 307 Ca 0.06 -1.60 -0.14 0.00 -1.81 0.00 0.00 61.98 58.48 2iur s VAL 307 Cb -0.12 -2.25 0.01 0.00 0.56 0.00 0.00 36.38 34.58 2iur s VAL 307 CO 0.00 0.07 0.59 1.51 -0.31 0.00 0.00 175.10 176.97 2iur s ASP 308 N -2.21 0.02 0.00 4.85 1.47 -0.31 -5.00 116.67 115.49 2iur s ASP 308 Ca 0.18 -0.96 0.00 0.00 1.18 0.00 0.00 52.55 52.94 2iur s ASP 308 Cb -0.10 0.68 0.00 0.00 -0.34 0.00 0.00 42.92 43.16 2iur s ASP 308 CO 0.10 -1.31 0.00 0.61 0.68 0.00 0.00 175.17 175.24 2iur n GLY 309 N -0.45 2.72 3.90 2.12 0.00 -1.26 -1.24 105.19 110.98 2iur n GLY 309 Ca -0.03 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.56 3.63 0.15 1.61 0.04 -1.26 -4.99 135.00 131.63 2iur s PRO 310 Ca 0.00 -0.05 0.09 0.00 0.04 0.00 0.00 61.00 61.08 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 0.35 -0.17 1.67 0.04 0.00 0.00 177.00 178.89 2iur s TRP 311 N -1.86 2.52 -0.03 0.56 1.48 -0.79 -4.91 118.94 115.90 2iur s TRP 311 Ca 0.42 -0.27 -0.16 0.00 -1.06 0.00 0.00 56.10 55.03 2iur s TRP 311 Cb -0.11 -1.29 -0.05 0.00 -1.16 0.00 0.00 33.47 30.86 2iur s TRP 311 CO 0.27 0.44 0.44 0.45 -4.06 0.00 0.00 176.95 174.49 2iur s SER 312 N -2.44 6.78 0.61 -2.66 0.15 -1.26 0.19 113.70 115.07 2iur s SER 312 Ca 0.20 0.93 0.39 0.00 0.70 0.00 0.00 55.95 58.18 2iur s SER 312 Cb -0.10 -2.27 1.94 0.00 -1.71 0.00 0.00 66.02 63.89 2iur s SER 312 CO 0.11 0.23 2.20 -0.07 1.20 0.00 0.00 173.24 176.91 2iur h LEU 313 N 5.31 0.00 -9.53 3.45 3.38 -1.22 -3.46 115.31 113.24 2iur h LEU 313 Ca -0.48 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 56.83 2iur h LEU 313 Cb 1.21 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.87 2iur h LEU 313 CO 0.66 0.01 -0.50 -0.76 0.09 0.00 0.00 178.44 177.94 2iur s LEU 314 N -6.29 4.25 0.00 1.67 1.43 -1.26 -4.78 118.68 113.70 2iur s LEU 314 Ca -0.03 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 2iur s LEU 314 Cb 0.12 -2.04 0.09 0.00 0.03 0.00 0.00 46.19 44.38 2iur s LEU 314 CO 0.48 0.37 0.62 -0.46 0.23 0.00 0.00 176.35 177.58 2iur n ASN 315 N 2.25 1.02 -0.09 2.29 0.23 -1.26 -4.92 115.26 114.78 2iur n ASN 315 Ca -0.19 -1.82 -0.06 0.00 -0.53 0.00 0.00 54.58 51.98 2iur n ASN 315 Cb 0.54 -0.38 0.13 0.00 -2.08 0.00 0.00 39.78 37.99 2iur n ASN 315 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2iur h ASP 316 N -0.26 0.76 -0.53 0.53 3.45 -1.99 -1.56 116.42 116.82 2iur h ASP 316 Ca -0.20 -0.23 -0.02 0.00 0.43 0.00 0.00 57.03 57.01 2iur h ASP 316 Cb 0.80 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.34 2iur h ASP 316 CO 0.24 0.90 0.23 -0.08 -1.57 0.00 0.00 179.24 178.96 2iur h GLU 317 N 0.70 0.77 -0.58 3.56 4.81 -2.00 -2.27 114.58 119.57 2iur h GLU 317 Ca 0.12 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2iur h GLU 317 Cb 0.58 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 2iur h GLU 317 CO 0.04 0.65 0.36 -0.44 -0.73 0.00 0.00 179.01 178.89 2iur h ASP 318 N 0.71 0.59 -0.47 1.04 3.32 -1.82 -2.76 116.42 117.02 2iur h ASP 318 Ca 0.18 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 2iur h ASP 318 Cb 0.15 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2iur h ASP 318 CO -0.02 0.41 0.20 0.11 -1.72 0.00 0.00 179.24 178.23 2iur h LYS 319 N 0.71 0.74 0.00 3.56 1.57 -1.08 -2.43 116.57 119.64 2iur h LYS 319 Ca 0.23 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2iur h LYS 319 Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2iur h LYS 319 CO -0.09 0.61 -0.19 0.00 -0.57 0.00 0.00 179.45 179.21 2iur h ALA 320 N 1.49 1.54 -0.67 3.86 0.00 -1.11 -1.77 119.26 122.59 2iur h ALA 320 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2iur h ALA 320 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2iur h ALA 320 CO -0.02 0.24 0.00 1.63 0.00 0.00 0.00 179.25 181.11 2iur n LYS 321 N -4.10 2.82 -3.46 0.00 5.02 -1.01 -4.98 118.16 112.45 2iur n LYS 321 Ca -0.02 -2.60 -0.24 0.00 -2.02 0.00 0.00 58.31 53.43 2iur n LYS 321 Cb 0.27 -1.55 0.07 0.00 -0.02 0.00 0.00 35.03 33.79 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 1.45 -6.25 -4.74 4.39 3.02 -0.67 -1.21 115.26 111.26 2iur n ASN 322 Ca 0.23 -0.48 -0.42 0.00 -0.03 0.00 0.00 54.58 53.88 2iur n ASN 322 Cb 0.61 -4.96 -0.03 0.00 -0.61 0.00 0.00 39.78 34.80 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 3.07 0.13 3.10 0.52 -1.05 0.15 118.94 121.57 2iur s TRP 323 Ca 0.51 0.98 -0.05 0.00 0.02 0.00 0.00 56.10 57.56 2iur s TRP 323 Cb -0.23 -3.80 -0.02 0.00 -1.15 0.00 0.00 33.47 28.27 2iur s TRP 323 CO 0.64 -2.68 0.16 0.14 0.02 0.00 0.00 176.95 175.22 2iur s VAL 324 N 0.27 0.11 0.63 4.03 -7.23 -0.47 -4.83 120.40 112.91 2iur s VAL 324 Ca 0.61 -1.57 -0.15 0.00 -1.81 0.00 0.00 61.98 59.06 2iur s VAL 324 Cb -0.41 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 2iur s VAL 324 CO 0.40 -0.49 1.10 -2.84 -0.31 0.00 0.00 175.10 172.95 2iur s PRO 325 N -3.97 2.99 -0.12 4.82 0.02 -1.26 -1.26 135.00 136.21 2iur s PRO 325 Ca 0.16 1.35 -0.27 0.00 0.02 0.00 0.00 61.00 62.27 2iur s PRO 325 Cb 0.05 -1.98 0.06 0.00 0.02 0.00 0.00 34.50 32.66 2iur s PRO 325 CO -0.02 -1.10 0.64 0.20 -0.33 0.00 0.00 177.00 176.39 2iur s GLY 326 N -2.58 -0.51 0.00 0.52 0.00 -0.66 -4.65 107.32 99.44 2iur s GLY 326 Ca 0.66 1.44 0.00 0.00 0.00 0.00 0.00 44.72 46.82 2iur s GLY 326 CO 0.39 1.13 0.00 0.61 0.00 0.00 0.00 173.10 175.23 2iur n GLY 327 N 1.62 0.52 0.00 0.20 0.00 -0.45 -4.54 105.19 102.54 2iur n GLY 327 Ca -0.17 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.09 1.61 4.02 -0.05 -4.53 117.16 125.13 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 -0.19 4.41 -0.39 7.72 3.02 -1.24 -4.68 115.26 123.90 2iur n ASN 329 Ca 0.00 -2.92 0.12 0.00 -0.03 0.00 0.00 54.58 51.75 2iur n ASN 329 Cb 0.00 -1.63 0.25 0.00 -0.61 0.00 0.00 39.78 37.80 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 5.93 1.51 -4.35 3.41 -0.00 -1.26 -0.74 117.00 121.50 2iur n LEU 330 Ca 0.48 -0.49 -0.18 0.00 -0.00 0.00 0.00 56.01 55.82 2iur n LEU 330 Cb 0.40 -0.06 -0.10 0.00 -0.00 0.00 0.00 43.42 43.65 2iur n LEU 330 CO 0.84 0.28 -0.34 0.68 -0.00 0.00 0.00 177.39 178.85 2iur s VAL 331 N -2.42 1.17 0.18 1.47 -7.23 -1.26 -2.21 120.40 110.10 2iur s VAL 331 Ca 0.24 -2.05 -0.21 0.00 -1.81 0.00 0.00 61.98 58.15 2iur s VAL 331 Cb 0.19 -2.37 0.05 0.00 0.56 0.00 0.00 36.38 34.81 2iur s VAL 331 CO 0.51 -0.31 0.59 -0.83 -0.31 0.00 0.00 175.10 174.74 2iur s GLY 332 N -3.34 -0.42 -0.04 2.32 0.00 -0.65 -4.79 107.32 100.39 2iur s GLY 332 Ca 0.29 0.19 0.02 0.00 0.00 0.00 0.00 44.72 45.23 2iur s GLY 332 CO 0.09 0.00 -0.10 -2.27 0.00 0.00 0.00 173.10 170.82 2iur s LEU 333 N -2.80 1.68 -0.44 0.66 2.96 -1.26 -0.69 118.68 118.78 2iur s LEU 333 Ca 0.04 -0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 53.52 2iur s LEU 333 Cb -0.01 -0.68 0.03 0.00 0.50 0.00 0.00 46.19 46.02 2iur s LEU 333 CO -0.08 0.05 0.55 -2.28 -1.32 0.00 0.00 176.35 173.26 2iur s HIS 334 N 0.45 3.11 0.21 5.38 5.65 0.14 -4.87 115.29 125.37 2iur s HIS 334 Ca -0.09 -0.29 -0.02 0.00 0.25 0.00 0.00 55.06 54.91 2iur s HIS 334 Cb -0.12 -3.18 0.19 0.00 -1.18 0.00 0.00 32.58 28.28 2iur s HIS 334 CO 0.02 -0.82 1.57 0.00 -0.65 0.00 0.00 174.74 174.85 2iur h ARG 335 N 8.83 0.57 -0.09 2.88 3.08 -1.90 0.71 114.38 128.46 2iur h ARG 335 Ca -0.26 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.44 2iur h ARG 335 Cb 1.10 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 2iur h ARG 335 CO 0.86 0.90 -0.16 0.00 -1.07 0.00 0.00 179.97 180.49 2iur h ALA 336 N 1.06 1.56 0.00 0.04 0.00 -1.95 -3.22 119.26 116.76 2iur h ALA 336 Ca 0.03 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2iur h ALA 336 Cb 0.95 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2iur h ALA 336 CO 0.08 0.32 -1.82 -1.13 0.00 0.00 0.00 179.25 176.70 2iur n SER 337 N -4.28 1.22 0.00 0.00 3.41 -1.12 -4.99 113.62 107.86 2iur n SER 337 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2iur n SER 337 Cb 0.27 1.56 0.00 0.00 -0.26 0.00 0.00 64.21 65.78 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 1.67 0.53 3.73 5.00 0.00 0.23 -4.88 105.19 111.46 2iur n GLY 338 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.15 4.36 -0.11 1.61 0.52 -1.18 -2.66 118.95 121.33 2iur s ARG 339 Ca 0.00 2.05 -0.02 0.00 -0.52 0.00 0.00 55.73 57.25 2iur s ARG 339 Cb 0.00 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.22 2iur s ARG 339 CO 0.00 -0.34 -0.04 1.41 0.02 0.00 0.00 175.30 176.34 2iur s MET 340 N 0.50 3.18 -0.12 3.54 -2.45 0.15 -0.69 119.30 123.42 2iur s MET 340 Ca 0.60 -0.51 -0.02 0.00 -1.25 0.00 0.00 55.69 54.51 2iur s MET 340 Cb -0.36 -2.76 -0.03 0.00 1.25 0.00 0.00 34.83 32.93 2iur s MET 340 CO 0.34 0.49 -0.05 0.71 1.05 0.00 0.00 175.02 177.56 2iur s TYR 341 N -0.32 3.00 -0.04 4.11 1.51 0.13 -0.40 117.35 125.34 2iur s TYR 341 Ca 0.05 -0.16 -0.02 0.00 -1.01 0.00 0.00 57.07 55.93 2iur s TYR 341 Cb -0.12 -1.85 0.03 0.00 -0.11 0.00 0.00 41.96 39.90 2iur s TYR 341 CO 0.02 0.13 0.10 0.08 -1.11 0.00 0.00 175.55 174.77 2iur s VAL 342 N -0.15 -0.04 -0.00 0.71 1.01 -0.50 -1.64 120.40 119.79 2iur s VAL 342 Ca 0.02 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 2iur s VAL 342 Cb -0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 2iur s VAL 342 CO 0.03 0.05 1.11 -0.36 0.00 0.00 0.00 175.10 175.93 2iur s PHE 343 N 0.80 3.45 0.11 5.22 2.99 -0.94 -0.95 117.98 128.66 2iur s PHE 343 Ca -0.06 1.43 0.05 0.00 0.00 0.00 0.00 56.93 58.35 2iur s PHE 343 Cb -0.08 -3.31 -0.04 0.00 0.00 0.00 0.00 43.02 39.59 2iur s PHE 343 CO -0.03 -0.80 -0.13 -1.64 -0.00 0.00 0.00 175.22 172.62 2iur s MET 344 N 1.44 0.94 0.00 0.44 -1.94 -0.38 -1.65 119.30 118.15 2iur s MET 344 Ca 0.55 -1.19 -0.10 0.00 -1.71 0.00 0.00 55.69 53.24 2iur s MET 344 Cb -0.25 -0.77 0.01 0.00 2.01 0.00 0.00 34.83 35.84 2iur s MET 344 CO 0.26 0.14 0.21 -3.38 -0.01 0.00 0.00 175.02 172.23 2iur s HIS 345 N -2.17 -0.04 0.86 -0.03 -3.43 -0.39 -0.93 115.29 109.16 2iur s HIS 345 Ca 0.07 -0.01 -0.12 0.00 -0.80 0.00 0.00 55.06 54.20 2iur s HIS 345 Cb -0.05 0.01 0.14 0.00 -1.43 0.00 0.00 32.58 31.25 2iur s HIS 345 CO 0.02 -0.34 1.21 -1.25 -2.00 0.00 0.00 174.74 172.38 2iur s PRO 346 N -1.48 1.31 -1.42 -0.38 0.04 -1.26 -1.37 135.00 130.44 2iur s PRO 346 Ca -0.13 -0.34 -0.11 0.00 0.04 0.00 0.00 61.00 60.46 2iur s PRO 346 Cb -0.06 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.54 2iur s PRO 346 CO 0.02 -1.93 1.11 -0.25 0.04 0.00 0.00 177.00 175.99 2iur n ASP 347 N -3.43 -5.90 -4.77 6.66 8.00 -0.35 -4.85 116.55 111.92 2iur n ASP 347 Ca 0.12 -0.61 -0.41 0.00 0.71 0.00 0.00 54.79 54.61 2iur n ASP 347 Cb 0.60 -4.66 -0.02 0.00 -0.02 0.00 0.00 41.12 37.02 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 -3.30 3.00 0.39 0.44 0.00 0.12 -5.02 107.32 102.95 2iur s GLY 348 Ca 0.61 1.27 -0.15 0.00 0.00 0.00 0.00 44.72 46.45 2iur s GLY 348 CO 0.75 1.92 0.78 -1.59 0.00 0.00 0.00 173.10 174.96 2iur s LYS 349 N -1.82 2.24 0.02 2.90 -2.85 -1.26 -4.94 119.74 114.03 2iur s LYS 349 Ca 0.49 -1.47 -0.35 0.00 -1.00 0.00 0.00 55.97 53.64 2iur s LYS 349 Cb -0.40 0.62 -0.14 0.00 -2.06 0.00 0.00 37.83 35.85 2iur s LYS 349 CO 0.53 -1.05 1.63 -1.91 0.10 0.00 0.00 175.35 174.65 2iur n GLU 350 N -0.54 1.82 -0.04 1.78 4.07 -1.26 -2.04 120.64 124.43 2iur n GLU 350 Ca -0.08 0.66 0.00 0.00 -0.06 0.00 0.00 57.16 57.68 2iur n GLU 350 Cb 0.60 -2.41 0.00 0.00 -0.06 0.00 0.00 31.44 29.57 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 3.59 0.61 1.22 8.31 0.00 -1.26 -4.98 105.19 112.69 2iur n GLY 351 Ca 0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.01 1.27 0.45 2.61 -2.24 -0.86 -4.67 114.28 108.82 2iur n THR 352 Ca 0.00 -1.09 0.09 0.00 -2.27 0.00 0.00 64.05 60.78 2iur n THR 352 Cb 0.00 0.37 0.38 0.00 -2.10 0.00 0.00 70.33 68.98 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 1.15 0.33 -0.73 4.78 1.44 -1.26 -1.86 115.22 119.07 2iur n HIS 353 Ca 0.22 0.13 0.07 0.00 -2.01 0.00 0.00 57.72 56.13 2iur n HIS 353 Cb 0.65 -0.71 0.19 0.00 0.12 0.00 0.00 29.99 30.25 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 -1.80 2.67 -2.15 -1.40 5.02 -1.26 -1.34 118.16 117.90 2iur n LYS 354 Ca 0.03 -2.50 -0.37 0.00 -2.02 0.00 0.00 58.31 53.45 2iur n LYS 354 Cb 0.19 -1.59 0.01 0.00 -0.02 0.00 0.00 35.03 33.62 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 -2.24 2.68 0.73 2.13 0.40 -0.78 -4.40 117.98 116.50 2iur s PHE 355 Ca 0.33 1.51 -0.16 0.00 -0.60 0.00 0.00 56.93 58.01 2iur s PHE 355 Cb 0.25 -3.44 0.03 0.00 0.51 0.00 0.00 43.02 40.37 2iur s PHE 355 CO 0.09 -1.82 1.19 -2.30 0.70 0.00 0.00 175.22 173.08 2iur n PRO 356 N -0.87 0.63 -2.29 0.24 -0.02 -1.26 -3.59 135.00 127.84 2iur n PRO 356 Ca 0.09 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 2iur n PRO 356 Cb 0.48 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.76 3.51 0.10 3.55 0.00 0.19 -4.75 121.76 122.60 2iur s ALA 357 Ca 0.77 0.94 -0.06 0.00 0.00 0.00 0.00 51.96 53.62 2iur s ALA 357 Cb -0.34 -3.51 -0.20 0.00 0.00 0.00 0.00 23.12 19.07 2iur s ALA 357 CO 0.46 -0.61 1.21 0.00 0.00 0.00 0.00 175.76 176.82 2iur h ALA 358 N 7.04 0.20 -2.42 0.00 0.00 -1.38 -2.58 119.26 120.12 2iur h ALA 358 Ca -0.41 -0.79 -0.12 0.00 0.00 0.00 0.00 54.91 53.60 2iur h ALA 358 Cb 1.20 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.85 2iur h ALA 358 CO 0.85 0.85 -0.57 -1.21 0.00 0.00 0.00 179.25 179.17 2iur s GLU 359 N -2.98 0.64 -0.22 0.00 2.02 -0.80 -0.69 118.70 116.67 2iur s GLU 359 Ca -0.06 -1.02 -0.09 0.00 0.02 0.00 0.00 54.97 53.83 2iur s GLU 359 Cb 0.08 0.24 -0.04 0.00 0.10 0.00 0.00 34.13 34.50 2iur s GLU 359 CO 0.88 -0.15 0.10 0.42 0.02 0.00 0.00 175.26 176.54 2iur s ILE 360 N -3.47 4.93 -0.09 -1.63 1.01 -0.00 -1.25 121.20 120.69 2iur s ILE 360 Ca 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 2iur s ILE 360 Cb 0.04 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 2iur s ILE 360 CO -0.09 0.39 0.11 0.26 0.00 0.00 0.00 174.94 175.62 2iur s TRP 361 N 0.88 3.48 -0.28 3.97 0.52 -0.12 -1.51 118.94 125.87 2iur s TRP 361 Ca 0.05 0.42 -0.03 0.00 0.02 0.00 0.00 56.10 56.56 2iur s TRP 361 Cb -0.13 -1.88 0.03 0.00 -1.15 0.00 0.00 33.47 30.34 2iur s TRP 361 CO 0.03 0.66 0.00 0.08 0.02 0.00 0.00 176.95 177.74 2iur s VAL 362 N -1.05 3.23 -0.11 4.03 1.01 -0.01 -1.41 120.40 126.10 2iur s VAL 362 Ca 0.17 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 2iur s VAL 362 Cb -0.12 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2iur s VAL 362 CO 0.06 0.04 -0.02 -0.04 0.00 0.00 0.00 175.10 175.15 2iur s MET 363 N 1.35 3.18 -0.45 2.72 1.00 0.47 -0.33 119.30 127.23 2iur s MET 363 Ca -0.01 -0.46 -0.25 0.00 0.00 0.00 0.00 55.69 54.97 2iur s MET 363 Cb -0.18 -2.81 0.03 0.00 0.00 0.00 0.00 34.83 31.87 2iur s MET 363 CO -0.01 0.54 0.87 0.34 0.00 0.00 0.00 175.02 176.76 2iur s ASP 364 N -0.46 6.48 0.30 3.03 -1.08 -0.10 -0.68 116.67 124.17 2iur s ASP 364 Ca 0.08 0.06 0.26 0.00 -0.52 0.00 0.00 52.55 52.43 2iur s ASP 364 Cb -0.12 -2.43 0.94 0.00 -1.46 0.00 0.00 42.92 39.85 2iur s ASP 364 CO 0.02 -0.98 1.76 0.71 0.52 0.00 0.00 175.17 177.20 2iur h THR 365 N 6.02 0.00 0.08 1.71 1.35 -1.80 0.11 112.91 120.37 2iur h THR 365 Ca -0.24 -0.41 -0.13 0.00 -0.55 0.00 0.00 66.41 65.08 2iur h THR 365 Cb 1.08 1.28 0.01 0.00 -1.73 0.00 0.00 68.15 68.80 2iur h THR 365 CO 1.00 0.00 -0.57 0.11 -0.25 0.00 0.00 175.52 175.81 2iur h LYS 366 N 0.00 0.25 0.00 4.72 1.57 -1.91 -3.34 116.57 117.85 2iur h LYS 366 Ca 0.00 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2iur h LYS 366 Cb 0.55 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2iur h LYS 366 CO 0.00 1.14 -0.56 0.25 -0.57 0.00 0.00 179.45 179.71 2iur n THR 367 N -4.27 0.30 -3.37 -0.16 -2.24 -1.18 -4.96 114.28 98.40 2iur n THR 367 Ca -0.12 -0.23 -0.19 0.00 -2.27 0.00 0.00 64.05 61.24 2iur n THR 367 Cb 0.70 -0.11 0.07 0.00 -2.10 0.00 0.00 70.33 68.89 2iur n THR 367 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2iur n LYS 368 N -2.01 -6.41 -4.02 -0.78 5.02 0.36 -5.01 118.16 105.30 2iur n LYS 368 Ca 0.04 0.68 -0.12 0.00 -2.02 0.00 0.00 58.31 56.90 2iur n LYS 368 Cb 0.42 -5.28 -0.12 0.00 -0.02 0.00 0.00 35.03 30.04 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 -5.95 0.39 0.28 1.97 -1.52 -1.13 -4.93 119.66 108.77 2iur s GLN 369 Ca 0.42 -0.60 -0.29 0.00 -1.95 0.00 0.00 55.36 52.94 2iur s GLN 369 Cb -0.18 -0.12 -0.10 0.00 -0.22 0.00 0.00 33.01 32.40 2iur s GLN 369 CO 0.60 0.01 1.18 0.50 -0.25 0.00 0.00 175.29 177.33 2iur s ARG 370 N -1.30 4.53 -0.11 2.91 3.52 -1.26 -0.92 118.95 126.32 2iur s ARG 370 Ca -0.11 1.93 0.11 0.00 -0.13 0.00 0.00 55.73 57.54 2iur s ARG 370 Cb -0.09 -3.17 -0.16 0.00 -1.56 0.00 0.00 34.95 29.98 2iur s ARG 370 CO -0.00 0.04 0.08 1.33 -0.81 0.00 0.00 175.30 175.94 2iur n VAL 371 N 1.34 0.72 -3.53 7.11 0.24 0.55 -4.86 118.33 119.90 2iur n VAL 371 Ca 0.00 -0.49 -0.11 0.00 -2.04 0.00 0.00 64.34 61.70 2iur n VAL 371 Cb 0.44 -0.55 -0.03 0.00 -1.47 0.00 0.00 33.84 32.23 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 -2.39 -1.27 -0.06 2.33 0.00 -1.10 -5.01 121.76 114.27 2iur s ALA 372 Ca -0.06 0.22 -0.05 0.00 0.00 0.00 0.00 51.96 52.08 2iur s ALA 372 Cb 0.04 0.79 0.02 0.00 0.00 0.00 0.00 23.12 23.98 2iur s ALA 372 CO 0.51 -0.70 0.16 -0.98 0.00 0.00 0.00 175.76 174.75 2iur s ARG 373 N -3.77 0.16 0.15 0.00 1.70 -1.26 -0.83 118.95 115.11 2iur s ARG 373 Ca 0.02 0.28 0.01 0.00 -0.47 0.00 0.00 55.73 55.57 2iur s ARG 373 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 34.95 34.34 2iur s ARG 373 CO -0.12 -0.07 0.00 0.96 -1.08 0.00 0.00 175.30 174.99 2iur s ILE 374 N 0.46 0.56 0.36 4.99 -4.36 -0.57 -4.99 121.20 117.65 2iur s ILE 374 Ca -0.03 -1.96 -0.28 0.00 -0.26 0.00 0.00 60.65 58.13 2iur s ILE 374 Cb -0.04 -2.03 -0.12 0.00 1.25 0.00 0.00 42.46 41.52 2iur s ILE 374 CO -0.02 -0.54 1.38 -2.65 0.24 0.00 0.00 174.94 173.34 2iur n PRO 375 N -0.18 2.35 0.01 0.37 -0.02 -1.26 -0.82 135.00 135.45 2iur n PRO 375 Ca -0.07 0.83 0.12 0.00 -2.02 0.00 0.00 63.50 62.35 2iur n PRO 375 Cb 0.63 -2.48 0.21 0.00 -0.02 0.00 0.00 33.50 31.84 2iur n PRO 375 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iur n GLY 376 N 0.63 -1.26 3.01 -1.23 0.00 0.14 -4.37 105.19 102.10 2iur n GLY 376 Ca 0.03 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 2iur n GLY 376 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iur n ARG 377 N -1.62 -3.35 -2.35 1.61 1.74 -1.26 -1.70 116.66 109.72 2iur n ARG 377 Ca 0.05 0.62 -0.19 0.00 -0.77 0.00 0.00 57.85 57.56 2iur n ARG 377 Cb 0.36 -5.33 -0.01 0.00 -1.02 0.00 0.00 32.46 26.46 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 -2.20 -5.36 -4.79 0.55 8.00 -0.97 -4.83 116.55 106.96 2iur n ASP 378 Ca -0.08 0.07 -0.34 0.00 0.71 0.00 0.00 54.79 55.15 2iur n ASP 378 Cb 0.58 -4.50 -0.02 0.00 -0.02 0.00 0.00 41.12 37.17 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 -2.90 2.80 -0.02 2.24 0.00 -0.69 -4.34 121.76 118.84 2iur s ALA 379 Ca 0.00 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.61 2iur s ALA 379 Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 2iur s ALA 379 CO 0.00 -0.53 0.00 1.28 0.00 0.00 0.00 175.76 176.51 2iur n LEU 380 N -1.24 0.61 -4.10 0.00 4.77 0.47 -0.63 117.00 116.88 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 0.52 0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 2iur n LEU 380 CO 0.41 0.15 -0.39 -0.44 -1.33 0.00 0.00 177.39 175.79 2iur s SER 381 N -3.45 0.92 0.20 -1.43 0.01 -0.96 -0.87 113.70 108.13 2iur s SER 381 Ca -0.01 -0.77 -0.03 0.00 1.31 0.00 0.00 55.95 56.45 2iur s SER 381 Cb 0.01 0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.28 2iur s SER 381 CO 0.08 -0.34 0.18 0.00 0.41 0.00 0.00 173.24 173.56 2iur s MET 382 N -2.67 1.23 0.11 12.44 0.23 0.08 -0.76 119.30 129.96 2iur s MET 382 Ca -0.00 -1.57 -0.18 0.00 -1.03 0.00 0.00 55.69 52.91 2iur s MET 382 Cb -0.02 0.30 0.04 0.00 -1.53 0.00 0.00 34.83 33.62 2iur s MET 382 CO -0.03 -0.42 0.45 -0.08 -2.03 0.00 0.00 175.02 172.92 2iur s THR 383 N -4.13 0.05 -0.02 3.16 -1.32 -0.69 -4.81 115.64 107.88 2iur s THR 383 Ca 0.36 -0.42 0.07 0.00 -1.21 0.00 0.00 61.69 60.49 2iur s THR 383 Cb 0.06 -1.09 -0.02 0.00 -1.51 0.00 0.00 72.50 69.94 2iur s THR 383 CO 0.11 -0.23 -0.24 -0.63 -2.21 0.00 0.00 174.62 171.42 2iur s ILE 384 N -3.45 1.90 -0.28 5.08 -1.09 -1.26 -0.78 121.20 121.32 2iur s ILE 384 Ca 0.01 -1.02 -0.07 0.00 -2.23 0.00 0.00 60.65 57.33 2iur s ILE 384 Cb 0.01 -1.57 -0.00 0.00 -1.58 0.00 0.00 42.46 39.31 2iur s ILE 384 CO -0.10 0.54 0.07 -0.62 -1.23 0.00 0.00 174.94 173.60 2iur s ASP 385 N -0.54 5.06 0.01 3.58 -1.08 0.07 -4.92 116.67 118.87 2iur s ASP 385 Ca 0.08 -0.56 -0.25 0.00 -0.52 0.00 0.00 52.55 51.31 2iur s ASP 385 Cb -0.09 -1.88 -0.18 0.00 -1.46 0.00 0.00 42.92 39.30 2iur s ASP 385 CO -0.01 -0.14 1.39 1.56 0.52 0.00 0.00 175.17 178.49 2iur h GLN 386 N 8.23 -0.08 0.00 4.34 1.08 -1.94 -1.85 115.11 124.89 2iur h GLN 386 Ca -0.34 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 56.82 2iur h GLN 386 Cb 1.14 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.58 2iur h GLN 386 CO 0.60 0.24 -0.23 1.96 -0.95 0.00 0.00 178.83 180.45 2iur h GLN 387 N -0.41 0.00 -0.06 1.46 4.20 -1.97 -2.50 115.11 115.84 2iur h GLN 387 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2iur h GLN 387 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2iur h GLN 387 CO 0.01 0.23 0.00 0.54 -0.67 0.00 0.00 178.83 178.94 2iur n ARG 388 N -3.26 1.72 -3.36 1.46 3.00 -1.25 -5.01 116.66 109.95 2iur n ARG 388 Ca 0.01 -1.69 -0.18 0.00 -0.01 0.00 0.00 57.85 55.99 2iur n ARG 388 Cb 0.51 -1.37 0.07 0.00 0.00 0.00 0.00 32.46 31.67 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 1.08 -5.59 -4.25 0.55 3.02 -0.87 -4.87 115.26 104.34 2iur n ASN 389 Ca 0.12 -0.75 -0.23 0.00 -0.03 0.00 0.00 54.58 53.69 2iur n ASN 389 Cb 0.48 -4.88 -0.13 0.00 -0.61 0.00 0.00 39.78 34.64 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 -5.74 2.27 -0.06 3.41 1.43 -0.75 -0.67 118.68 118.57 2iur s LEU 390 Ca 0.38 -0.64 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 2iur s LEU 390 Cb -0.06 -0.80 0.01 0.00 0.03 0.00 0.00 46.19 45.37 2iur s LEU 390 CO 0.76 0.04 -0.13 -0.32 0.23 0.00 0.00 176.35 176.92 2iur s MET 391 N -1.73 1.70 -0.07 1.70 -2.45 -0.12 -0.75 119.30 117.59 2iur s MET 391 Ca 0.04 -0.46 -0.04 0.00 -1.25 0.00 0.00 55.69 53.98 2iur s MET 391 Cb -0.10 -1.42 -0.04 0.00 1.25 0.00 0.00 34.83 34.52 2iur s MET 391 CO 0.03 0.09 0.11 -0.51 1.05 0.00 0.00 175.02 175.79 2iur s LEU 392 N 0.47 4.14 0.23 4.11 1.43 0.04 -0.36 118.68 128.75 2iur s LEU 392 Ca -0.11 0.32 0.09 0.00 -1.03 0.00 0.00 54.13 53.40 2iur s LEU 392 Cb -0.14 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 2iur s LEU 392 CO 0.03 0.35 -0.16 0.42 0.23 0.00 0.00 176.35 177.22 2iur s THR 393 N -1.10 1.98 -0.10 5.49 -4.23 -0.26 -1.71 115.64 115.71 2iur s THR 393 Ca 0.19 -2.27 -0.05 0.00 -1.18 0.00 0.00 61.69 58.38 2iur s THR 393 Cb -0.12 -2.15 0.05 0.00 1.34 0.00 0.00 72.50 71.61 2iur s THR 393 CO 0.09 -0.51 0.24 -0.22 -0.54 0.00 0.00 174.62 173.67 2iur s LEU 394 N -3.39 0.34 0.00 4.79 2.96 0.06 -0.38 118.68 123.05 2iur s LEU 394 Ca 0.25 0.51 0.19 0.00 -0.22 0.00 0.00 54.13 54.87 2iur s LEU 394 Cb -0.02 0.70 0.45 0.00 0.50 0.00 0.00 46.19 47.81 2iur s LEU 394 CO 0.10 -0.17 1.37 -0.90 -1.32 0.00 0.00 176.35 175.43 2iur n ASP 395 N 4.38 3.40 0.00 3.68 5.68 -0.98 -0.40 116.55 132.31 2iur n ASP 395 Ca -0.23 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 2iur n ASP 395 Cb 0.52 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 2iur n ASP 395 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2iur n GLY 396 N 1.26 1.30 0.00 6.12 0.00 -1.22 -4.77 105.19 107.88 2iur n GLY 396 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 3.29 -0.02 0.00 -1.26 -1.00 105.19 106.20 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 -1.92 2.90 -0.20 1.61 0.01 -1.26 -0.70 114.94 115.38 2iur s ASN 398 Ca 0.00 -0.47 -0.05 0.00 -0.71 0.00 0.00 52.86 51.63 2iur s ASN 398 Cb 0.00 -0.31 -0.02 0.00 0.41 0.00 0.00 41.25 41.33 2iur s ASN 398 CO 0.00 0.29 -0.01 -0.69 -1.51 0.00 0.00 177.10 175.17 2iur s VAL 399 N -0.63 3.79 -0.14 1.60 1.01 -0.51 -2.32 120.40 123.21 2iur s VAL 399 Ca 0.10 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 2iur s VAL 399 Cb -0.09 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 2iur s VAL 399 CO -0.00 0.43 0.19 0.20 0.00 0.00 0.00 175.10 175.92 2iur s ASN 400 N 1.08 6.39 -0.22 3.32 0.01 0.49 -0.07 114.94 125.95 2iur s ASN 400 Ca 0.02 0.46 -0.05 0.00 -0.71 0.00 0.00 52.86 52.58 2iur s ASN 400 Cb -0.14 -2.12 -0.02 0.00 0.41 0.00 0.00 41.25 39.38 2iur s ASN 400 CO 0.01 0.28 -0.00 -0.69 -1.51 0.00 0.00 177.10 175.19 2iur s VAL 401 N -0.37 3.81 0.00 1.60 1.01 -0.09 -1.10 120.40 125.26 2iur s VAL 401 Ca 0.14 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.85 2iur s VAL 401 Cb -0.12 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 2iur s VAL 401 CO 0.03 0.41 -0.25 -0.31 0.00 0.00 0.00 175.10 174.98 2iur s TYR 402 N 1.31 2.36 -0.22 5.22 1.51 0.51 -0.03 117.35 128.02 2iur s TYR 402 Ca 0.04 -0.40 -0.23 0.00 -1.01 0.00 0.00 57.07 55.46 2iur s TYR 402 Cb -0.15 -1.47 -0.01 0.00 -0.11 0.00 0.00 41.96 40.22 2iur s TYR 402 CO 0.00 0.05 0.76 0.34 -1.11 0.00 0.00 175.55 175.59 2iur s ASP 403 N -0.87 6.79 -0.22 2.29 2.15 0.33 -0.95 116.67 126.19 2iur s ASP 403 Ca 0.11 0.98 0.11 0.00 0.43 0.00 0.00 52.55 54.18 2iur s ASP 403 Cb -0.10 -2.41 0.43 0.00 -0.30 0.00 0.00 42.92 40.54 2iur s ASP 403 CO 0.00 -0.42 1.28 2.30 -0.17 0.00 0.00 175.17 178.16 2iur n ILE 404 N 5.03 2.27 0.31 4.11 -5.35 0.15 -0.98 119.36 124.90 2iur n ILE 404 Ca 0.03 -2.99 0.16 0.00 -0.27 0.00 0.00 62.75 59.68 2iur n ILE 404 Cb 0.48 -0.26 0.72 0.00 -1.74 0.00 0.00 39.64 38.84 2iur n ILE 404 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2iur h SER 405 N 0.93 0.00 -2.91 7.28 4.64 -1.90 -3.44 113.55 118.16 2iur h SER 405 Ca 0.06 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.88 2iur h SER 405 Cb 1.19 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 2iur h SER 405 CO 0.11 0.00 -0.69 -1.10 -0.87 0.00 0.00 176.83 174.28 2iur s GLN 406 N -3.65 1.52 0.38 4.77 -1.52 -1.26 -5.06 119.66 114.84 2iur s GLN 406 Ca 0.01 -1.75 0.08 0.00 -1.95 0.00 0.00 55.36 51.74 2iur s GLN 406 Cb 0.09 -1.20 0.81 0.00 -0.22 0.00 0.00 33.01 32.49 2iur s GLN 406 CO 0.45 0.09 1.96 -1.35 -0.25 0.00 0.00 175.29 176.19 2iur h PRO 407 N 2.32 0.65 -5.60 2.91 0.11 -1.97 -3.37 132.00 127.06 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 1.23 -0.15 -0.10 0.00 0.11 0.00 0.00 31.00 32.09 2iur h PRO 407 CO 0.66 0.43 0.24 -2.00 -0.21 0.00 0.00 178.00 177.12 2iur s GLU 408 N -5.61 4.14 0.50 1.05 2.12 -1.26 -4.83 118.70 114.81 2iur s GLU 408 Ca -0.09 0.66 -0.22 0.00 0.36 0.00 0.00 54.97 55.67 2iur s GLU 408 Cb 0.19 -3.64 -0.06 0.00 0.26 0.00 0.00 34.13 30.88 2iur s GLU 408 CO 0.77 -0.42 1.28 -2.14 -0.54 0.00 0.00 175.26 174.20 2iur s PRO 409 N 2.54 3.43 -0.15 4.30 0.02 -1.26 -4.87 135.00 139.00 2iur s PRO 409 Ca 0.29 2.04 0.01 0.00 0.02 0.00 0.00 61.00 63.35 2iur s PRO 409 Cb -0.15 -2.34 0.00 0.00 0.02 0.00 0.00 34.50 32.03 2iur s PRO 409 CO 0.08 -0.90 -0.17 0.21 -0.33 0.00 0.00 177.00 175.90 2iur s LYS 410 N -2.80 3.16 -0.04 5.54 2.47 -0.16 -4.95 119.74 122.97 2iur s LYS 410 Ca 0.68 -0.78 -0.30 0.00 -1.56 0.00 0.00 55.97 54.01 2iur s LYS 410 Cb -0.35 -2.59 -0.04 0.00 -1.46 0.00 0.00 37.83 33.39 2iur s LYS 410 CO 0.42 -0.01 1.32 -1.17 0.16 0.00 0.00 175.35 176.07 2iur s LEU 411 N 0.87 4.29 -0.23 5.43 2.96 -1.26 -0.51 118.68 130.22 2iur s LEU 411 Ca -0.05 1.96 -0.02 0.00 -0.22 0.00 0.00 54.13 55.80 2iur s LEU 411 Cb -0.15 -3.56 -0.19 0.00 0.50 0.00 0.00 46.19 42.80 2iur s LEU 411 CO -0.01 -0.68 -0.10 0.18 -1.32 0.00 0.00 176.35 174.42 2iur n LEU 412 N 5.49 2.78 -3.64 -0.68 4.77 0.96 -4.95 117.00 121.73 2iur n LEU 412 Ca 0.12 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 56.07 2iur n LEU 412 Cb 0.45 -0.95 -0.01 0.00 -2.33 0.00 0.00 43.42 40.57 2iur n LEU 412 CO 0.57 0.87 0.85 0.00 -1.33 0.00 0.00 177.39 178.35 2iur s ARG 413 N -2.52 0.76 -0.06 3.23 1.70 -1.20 -5.02 118.95 115.85 2iur s ARG 413 Ca -0.32 -0.38 0.04 0.00 -0.47 0.00 0.00 55.73 54.60 2iur s ARG 413 Cb 0.09 0.29 -0.00 0.00 -0.57 0.00 0.00 34.95 34.75 2iur s ARG 413 CO 0.63 -0.35 -0.19 0.99 -1.08 0.00 0.00 175.30 175.30 2iur s THR 414 N -2.88 1.63 -0.44 4.99 2.01 -1.26 -0.91 115.64 118.78 2iur s THR 414 Ca 0.11 -0.81 -0.14 0.00 0.31 0.00 0.00 61.69 61.16 2iur s THR 414 Cb 0.01 -1.40 0.06 0.00 0.01 0.00 0.00 72.50 71.17 2iur s THR 414 CO -0.03 0.46 0.32 -0.63 -0.69 0.00 0.00 174.62 174.06 2iur s ILE 415 N 0.12 4.99 0.16 1.82 1.01 0.90 -4.96 121.20 125.23 2iur s ILE 415 Ca -0.07 -1.00 -0.25 0.00 0.00 0.00 0.00 60.65 59.33 2iur s ILE 415 Cb -0.14 -3.91 -0.08 0.00 0.01 0.00 0.00 42.46 38.34 2iur s ILE 415 CO 0.04 -0.46 0.75 -1.61 0.00 0.00 0.00 174.94 173.66 2iur s GLU 416 N 1.60 4.52 -1.02 2.79 0.41 -1.26 -1.42 118.70 124.33 2iur s GLU 416 Ca 0.04 1.11 -0.02 0.00 -0.41 0.00 0.00 54.97 55.68 2iur s GLU 416 Cb -0.22 -3.26 0.00 0.00 -1.78 0.00 0.00 34.13 28.87 2iur s GLU 416 CO 0.07 0.58 0.30 0.41 -0.49 0.00 0.00 175.26 176.13 2iur n GLY 417 N 1.60 -0.10 0.26 -1.39 0.00 -1.17 -4.90 105.19 99.48 2iur n GLY 417 Ca -0.06 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 0.63 1.03 -2.99 4.61 0.00 -1.07 -3.46 119.26 118.01 2iur h ALA 418 Ca -0.33 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.51 2iur h ALA 418 Cb 1.23 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 2iur h ALA 418 CO 0.36 0.12 0.21 0.00 0.00 0.00 0.00 179.25 179.94 2iur s ALA 419 N -3.69 -1.43 -0.08 0.00 0.00 -0.99 -4.85 121.76 110.72 2iur s ALA 419 Ca 0.01 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.17 2iur s ALA 419 Cb 0.10 0.87 -0.25 0.00 0.00 0.00 0.00 23.12 23.84 2iur s ALA 419 CO 0.58 -0.87 0.53 0.39 0.00 0.00 0.00 175.76 176.39 2iur n GLU 420 N -0.41 0.69 -2.88 0.00 1.02 -1.26 -4.27 120.64 113.53 2iur n GLU 420 Ca -0.12 0.28 -0.11 0.00 -0.02 0.00 0.00 57.16 57.20 2iur n GLU 420 Cb 0.63 -1.76 0.01 0.00 -0.02 0.00 0.00 31.44 30.30 2iur n GLU 420 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2iur n ALA 421 N -2.76 -0.62 -2.72 0.62 0.00 -1.21 -4.69 120.51 109.13 2iur n ALA 421 Ca -0.24 -1.72 -0.33 0.00 0.00 0.00 0.00 53.44 51.15 2iur n ALA 421 Cb 1.05 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.64 4.22 -0.06 0.00 0.15 -0.17 -1.29 113.70 115.90 2iur s SER 422 Ca 0.32 -0.19 0.09 0.00 0.70 0.00 0.00 55.95 56.87 2iur s SER 422 Cb 0.13 -1.23 0.16 0.00 -1.71 0.00 0.00 66.02 63.37 2iur s SER 422 CO -0.16 0.28 1.10 0.18 1.20 0.00 0.00 173.24 175.83 2iur n LEU 423 N 2.77 2.29 -3.71 3.45 4.77 -1.26 -3.46 117.00 121.85 2iur n LEU 423 Ca -0.18 -2.50 -0.11 0.00 -0.03 0.00 0.00 56.01 53.19 2iur n LEU 423 Cb 0.53 -0.22 -0.12 0.00 -2.33 0.00 0.00 43.42 41.28 2iur n LEU 423 CO 0.28 0.61 -0.03 -1.58 -1.33 0.00 0.00 177.39 175.34 2iur s GLN 424 N -1.86 0.30 0.02 3.23 0.74 -1.26 -4.54 119.66 116.29 2iur s GLN 424 Ca 0.17 0.67 0.04 0.00 0.05 0.00 0.00 55.36 56.28 2iur s GLN 424 Cb 0.14 -0.07 -0.02 0.00 1.10 0.00 0.00 33.01 34.16 2iur s GLN 424 CO 0.03 -0.16 -0.11 0.54 -0.55 0.00 0.00 175.29 175.03 2iur s VAL 425 N 1.35 0.85 0.01 1.34 0.11 -1.26 -1.43 120.40 121.37 2iur s VAL 425 Ca -0.09 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 2iur s VAL 425 Cb -0.09 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 33.97 2iur s VAL 425 CO -0.11 0.00 -0.02 -1.10 -3.33 0.00 0.00 175.10 170.55 2iur s GLN 426 N -0.88 0.18 0.46 1.54 -0.21 -0.49 -4.54 119.66 115.73 2iur s GLN 426 Ca 0.00 -0.35 -0.19 0.00 0.02 0.00 0.00 55.36 54.85 2iur s GLN 426 Cb -0.07 0.06 -0.09 0.00 1.00 0.00 0.00 33.01 33.91 2iur s GLN 426 CO 0.01 -0.03 0.96 -0.06 -2.12 0.00 0.00 175.29 174.05 2iur s PHE 427 N -0.83 3.38 0.17 0.91 0.40 -1.26 -0.36 117.98 120.38 2iur s PHE 427 Ca -0.09 1.53 -0.32 0.00 -0.60 0.00 0.00 56.93 57.45 2iur s PHE 427 Cb -0.06 -2.81 -0.11 0.00 0.51 0.00 0.00 43.02 40.56 2iur s PHE 427 CO -0.01 -0.22 1.64 -1.58 0.70 0.00 0.00 175.22 175.76 2iur s HIS 428 N -2.38 2.92 0.34 0.36 2.46 -0.24 -4.90 115.29 113.84 2iur s HIS 428 Ca 0.60 0.47 -0.29 0.00 0.47 0.00 0.00 55.06 56.32 2iur s HIS 428 Cb -0.09 -4.02 -0.11 0.00 -0.13 0.00 0.00 32.58 28.23 2iur s HIS 428 CO 0.21 -3.84 1.39 -2.14 -2.47 0.00 0.00 174.74 167.90 2iur s PRO 429 N 1.33 4.26 0.00 2.88 0.02 -1.26 -4.90 135.00 137.33 2iur s PRO 429 Ca 0.73 2.36 0.00 0.00 0.02 0.00 0.00 61.00 64.10 2iur s PRO 429 Cb -0.46 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.02 2iur s PRO 429 CO 0.32 -0.34 0.00 1.33 -0.33 0.00 0.00 177.00 177.97 2iur n VAL 430 N 0.91 0.00 0.80 3.83 0.24 -1.26 -4.59 118.33 118.26 2iur n VAL 430 Ca 0.01 -0.45 0.13 0.00 -2.04 0.00 0.00 64.34 61.99 2iur n VAL 430 Cb 0.41 0.97 0.51 0.00 -1.47 0.00 0.00 33.84 34.26 2iur n VAL 430 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2iur n GLY 431 N 1.04 -1.57 3.42 7.63 0.00 -1.26 -5.10 105.19 109.34 2iur n GLY 431 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2iur n GLY 431 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93