#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iur h VAL 72 N 0.00 0.00 -0.31 3.84 -1.51 -2.01 -2.83 116.25 113.43 2iur h VAL 72 Ca 0.00 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 2iur h VAL 72 Cb 0.00 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 2iur h VAL 72 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.93 2iur n ASN 73 N -3.01 1.93 -4.84 4.19 3.02 -1.26 -4.86 115.26 110.43 2iur n ASN 73 Ca 0.02 -1.90 -0.36 0.00 -0.03 0.00 0.00 54.58 52.30 2iur n ASN 73 Cb 0.36 -0.20 -0.07 0.00 -0.61 0.00 0.00 39.78 39.26 2iur n ASN 73 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2iur s SER 74 N -1.20 6.17 0.61 6.41 0.15 -1.07 -4.96 113.70 119.82 2iur s SER 74 Ca 0.28 0.40 0.37 0.00 0.70 0.00 0.00 55.95 57.69 2iur s SER 74 Cb 0.15 -1.95 1.99 0.00 -1.71 0.00 0.00 66.02 64.50 2iur s SER 74 CO 0.20 0.39 2.25 0.00 1.20 0.00 0.00 173.24 177.29 2iur n ASP 76 N -3.39 0.59 -4.73 0.00 8.00 -1.26 -4.77 116.55 110.99 2iur n ASP 76 Ca -0.02 -0.77 -0.42 0.00 0.71 0.00 0.00 54.79 54.28 2iur n ASP 76 Cb 0.13 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.17 2iur n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2iur n TYR 77 N -0.79 2.69 0.04 1.24 -0.00 -0.89 -4.85 117.16 114.60 2iur n TYR 77 Ca 0.16 0.27 0.10 0.00 -0.00 0.00 0.00 57.90 58.44 2iur n TYR 77 Cb 0.27 -2.57 0.55 0.00 -0.00 0.00 0.00 39.34 37.59 2iur n TYR 77 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.86 176.97 2iur h TRP 78 N 4.86 0.27 0.00 2.98 5.08 -1.90 -0.85 115.95 126.39 2iur h TRP 78 Ca -0.46 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.52 2iur h TRP 78 Cb 1.23 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 27.31 2iur h TRP 78 CO 0.58 0.15 0.00 0.00 -1.28 0.00 0.00 178.44 177.89 2iur h ARG 79 N 0.27 0.00 -0.97 0.12 3.08 -1.90 -3.27 114.38 111.71 2iur h ARG 79 Ca 0.17 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.82 2iur h ARG 79 Cb 0.32 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.13 2iur h ARG 79 CO -0.03 0.00 0.51 0.72 -1.07 0.00 0.00 179.97 180.10 2iur n HIS 80 N -2.36 2.53 0.50 3.04 8.25 -0.32 -4.67 115.22 122.18 2iur n HIS 80 Ca 0.03 -1.55 0.12 0.00 -0.26 0.00 0.00 57.72 56.05 2iur n HIS 80 Cb 0.28 -0.81 0.46 0.00 1.12 0.00 0.00 29.99 31.05 2iur n HIS 80 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2iur n ALA 82 N -1.75 3.40 -2.70 0.00 0.00 -1.26 -1.31 120.51 116.90 2iur n ALA 82 Ca 0.03 -3.07 -0.41 0.00 0.00 0.00 0.00 53.44 49.99 2iur n ALA 82 Cb 0.29 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 2iur n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2iur s VAL 83 N -3.62 4.92 -0.32 0.00 1.01 -1.09 -4.86 120.40 116.43 2iur s VAL 83 Ca 0.36 1.72 0.03 0.00 0.00 0.00 0.00 61.98 64.09 2iur s VAL 83 Cb 0.36 -4.17 0.09 0.00 0.00 0.00 0.00 36.38 32.66 2iur s VAL 83 CO -0.03 0.12 0.04 -0.62 0.00 0.00 0.00 175.10 174.61 2iur s ASP 84 N 1.01 4.54 0.00 3.32 2.15 -1.26 -0.60 116.67 125.82 2iur s ASP 84 Ca 0.42 -1.94 0.00 0.00 0.43 0.00 0.00 52.55 51.47 2iur s ASP 84 Cb -0.18 -1.44 0.00 0.00 -0.30 0.00 0.00 42.92 41.00 2iur s ASP 84 CO 0.18 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.43 2iur n GLY 85 N 4.41 -0.31 3.73 2.66 0.00 -0.50 -4.94 105.19 110.24 2iur n GLY 85 Ca 0.00 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 2iur n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2iur s PHE 86 N -2.33 3.58 0.05 1.61 0.40 -1.26 -0.95 117.98 119.08 2iur s PHE 86 Ca 0.00 1.14 -0.31 0.00 -0.60 0.00 0.00 56.93 57.17 2iur s PHE 86 Cb 0.00 -2.70 -0.07 0.00 0.51 0.00 0.00 43.02 40.76 2iur s PHE 86 CO 0.00 0.16 1.55 -0.51 0.70 0.00 0.00 175.22 177.12 2iur s LEU 87 N 0.56 4.35 0.53 -0.37 1.43 -0.62 -0.10 118.68 124.45 2iur s LEU 87 Ca 0.33 2.35 0.19 0.00 -1.03 0.00 0.00 54.13 55.97 2iur s LEU 87 Cb -0.17 -3.56 1.37 0.00 0.03 0.00 0.00 46.19 43.85 2iur s LEU 87 CO 0.16 -0.82 2.16 0.00 0.23 0.00 0.00 176.35 178.08 2iur n SER 89 N -4.35 0.52 -0.89 0.00 3.41 -1.25 -1.30 113.62 109.75 2iur n SER 89 Ca -0.03 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 2iur n SER 89 Cb 0.11 -0.76 0.15 0.00 -0.26 0.00 0.00 64.21 63.45 2iur n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2iur n GLY 92 N -1.27 0.74 0.00 0.00 0.00 -1.23 -4.71 105.19 98.72 2iur n GLY 92 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2iur n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iur n GLY 93 N -2.12 4.19 2.34 -0.02 0.00 -0.64 -4.43 105.19 104.51 2iur n GLY 93 Ca 0.00 -1.97 -0.16 0.00 0.00 0.00 0.00 46.02 43.89 2iur n GLY 93 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2iur n THR 94 N 0.00 0.00 0.12 2.61 -2.24 -0.59 -4.27 114.28 109.91 2iur n THR 94 Ca 0.00 -1.72 0.17 0.00 -2.27 0.00 0.00 64.05 60.23 2iur n THR 94 Cb 0.00 0.74 0.73 0.00 -2.10 0.00 0.00 70.33 69.69 2iur n THR 94 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2iur h THR 95 N 1.62 0.69 0.00 4.28 2.02 -1.93 -3.09 112.91 116.51 2iur h THR 95 Ca -0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2iur h THR 95 Cb 0.86 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2iur h THR 95 CO 0.30 0.00 -0.06 0.35 0.37 0.00 0.00 175.52 176.48 2iur n THR 96 N -4.21 0.96 -4.20 3.16 -2.24 -1.26 -2.90 114.28 103.59 2iur n THR 96 Ca 0.04 -1.08 -0.17 0.00 -2.27 0.00 0.00 64.05 60.57 2iur n THR 96 Cb 0.41 0.37 -0.15 0.00 -2.10 0.00 0.00 70.33 68.86 2iur n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2iur s THR 97 N -1.26 0.50 0.45 4.28 -4.23 -1.17 -5.13 115.64 109.09 2iur s THR 97 Ca 0.09 -0.22 -0.23 0.00 -1.18 0.00 0.00 61.69 60.16 2iur s THR 97 Cb 0.08 -0.45 -0.08 0.00 1.34 0.00 0.00 72.50 73.40 2iur s THR 97 CO 0.01 0.16 1.12 0.00 -0.54 0.00 0.00 174.62 175.37 2iur n PRO 99 N -0.48 0.53 -1.62 0.00 -0.02 -1.26 -4.69 135.00 127.45 2iur n PRO 99 Ca 0.07 0.24 -0.50 0.00 -2.02 0.00 0.00 63.50 61.29 2iur n PRO 99 Cb 0.49 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.67 2iur n PRO 99 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2iur n PRO 100 N -1.93 1.49 -0.74 0.52 -0.02 -1.26 -1.86 135.00 131.21 2iur n PRO 100 Ca 0.13 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2iur n PRO 100 Cb 0.49 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2iur n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iur n GLY 101 N 2.89 0.69 3.44 -1.23 0.00 -1.26 -5.03 105.19 104.69 2iur n GLY 101 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2iur n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iur s SER 102 N -2.26 3.62 -0.06 1.61 1.04 -0.78 -4.69 113.70 112.18 2iur s SER 102 Ca 0.00 -0.62 0.03 0.00 0.48 0.00 0.00 55.95 55.85 2iur s SER 102 Cb 0.00 -0.41 -0.02 0.00 0.10 0.00 0.00 66.02 65.68 2iur s SER 102 CO 0.00 0.19 -0.16 0.42 0.98 0.00 0.00 173.24 174.68 2iur s THR 103 N -1.06 2.90 0.52 2.02 -4.23 -0.20 -4.71 115.64 110.88 2iur s THR 103 Ca 0.16 -0.77 -0.22 0.00 -1.18 0.00 0.00 61.69 59.68 2iur s THR 103 Cb -0.10 -2.14 -0.06 0.00 1.34 0.00 0.00 72.50 71.54 2iur s THR 103 CO 0.07 0.58 1.28 -2.84 -0.54 0.00 0.00 174.62 173.17 2iur s PRO 104 N -0.48 3.34 0.23 3.99 0.02 -1.26 -0.66 135.00 140.18 2iur s PRO 104 Ca 0.06 2.04 -0.30 0.00 0.02 0.00 0.00 61.00 62.82 2iur s PRO 104 Cb -0.12 -2.28 -0.09 0.00 0.02 0.00 0.00 34.50 32.03 2iur s PRO 104 CO 0.02 -0.97 1.05 -1.54 -0.33 0.00 0.00 177.00 175.23 2iur s SER 105 N -1.15 7.38 0.18 2.53 1.04 0.38 -4.89 113.70 119.17 2iur s SER 105 Ca 0.69 2.11 0.26 0.00 0.48 0.00 0.00 55.95 59.49 2iur s SER 105 Cb -0.35 -2.61 0.90 0.00 0.10 0.00 0.00 66.02 64.05 2iur s SER 105 CO 0.42 -0.08 1.77 -0.81 0.98 0.00 0.00 173.24 175.52 2iur n PRO 106 N 1.69 0.20 -4.46 4.02 -0.04 -1.26 -4.78 135.00 130.37 2iur n PRO 106 Ca -0.00 0.22 -0.23 0.00 -0.04 0.00 0.00 63.50 63.46 2iur n PRO 106 Cb 0.46 -1.76 -0.10 0.00 -0.04 0.00 0.00 33.50 32.06 2iur n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2iur s ILE 107 N -3.12 2.07 0.00 0.52 -4.36 -1.26 -5.17 121.20 109.87 2iur s ILE 107 Ca 0.10 -2.25 0.00 0.00 -0.26 0.00 0.00 60.65 58.24 2iur s ILE 107 Cb 0.13 -2.39 0.00 0.00 1.25 0.00 0.00 42.46 41.45 2iur s ILE 107 CO 0.53 -0.36 0.00 -1.54 0.24 0.00 0.00 174.94 173.82 2iur n SER 108 N -0.61 0.82 -3.64 4.36 3.41 -1.26 -4.62 113.62 112.08 2iur n SER 108 Ca -0.06 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.46 2iur n SER 108 Cb 0.62 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.50 2iur n SER 108 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2iur s ILE 110 N 0.92 0.00 0.24 -1.33 -4.36 0.26 -4.88 121.20 112.05 2iur s ILE 110 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 60.65 60.51 2iur s ILE 110 Cb 0.00 -1.00 -0.05 0.00 1.25 0.00 0.00 42.46 42.66 2iur s ILE 110 CO 0.00 0.00 -0.21 -0.83 0.24 0.00 0.00 174.94 174.14 2iur s GLY 111 N 0.90 1.81 -0.22 6.27 0.00 0.50 -4.52 107.32 112.05 2iur s GLY 111 Ca -0.04 -1.77 -0.01 0.00 0.00 0.00 0.00 44.72 42.91 2iur s GLY 111 CO -0.09 -1.83 -0.11 -1.59 0.00 0.00 0.00 173.10 169.48 2iur s THR 112 N -2.13 2.58 0.02 0.90 2.01 -1.26 -0.51 115.64 117.26 2iur s THR 112 Ca 0.26 -0.98 0.08 0.00 0.31 0.00 0.00 61.69 61.36 2iur s THR 112 Cb -0.06 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 2iur s THR 112 CO 0.13 0.33 -0.24 0.00 -0.69 0.00 0.00 174.62 174.15 2iur s HIS 114 N -0.72 3.40 -0.31 0.00 2.46 -1.26 -1.44 115.29 117.43 2iur s HIS 114 Ca 0.10 1.01 -0.27 0.00 0.47 0.00 0.00 55.06 56.37 2iur s HIS 114 Cb -0.09 -2.84 0.01 0.00 -0.13 0.00 0.00 32.58 29.53 2iur s HIS 114 CO 0.01 -0.16 0.96 1.21 -2.47 0.00 0.00 174.74 174.29 2iur s ASN 115 N 1.15 6.84 0.00 9.88 3.84 0.01 -4.89 114.94 131.77 2iur s ASN 115 Ca 0.31 0.92 0.25 0.00 0.21 0.00 0.00 52.86 54.55 2iur s ASN 115 Cb -0.16 -2.49 1.23 0.00 -0.55 0.00 0.00 41.25 39.28 2iur s ASN 115 CO 0.11 -0.76 1.82 -0.81 -2.79 0.00 0.00 177.10 174.68 2iur n PRO 116 N 6.56 0.32 -0.08 0.43 -0.04 -1.26 -0.99 135.00 139.94 2iur n PRO 116 Ca 0.09 0.06 -0.11 0.00 -0.04 0.00 0.00 63.50 63.49 2iur n PRO 116 Cb 0.47 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 2iur n PRO 116 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2iur h HIS 117 N 0.00 0.00 -0.02 0.54 3.86 -1.95 -3.41 115.15 114.17 2iur h HIS 117 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2iur h HIS 117 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 2iur h HIS 117 CO 0.00 0.58 -0.38 -0.40 0.86 0.00 0.00 177.93 178.59 2iur n ASP 118 N -4.55 2.09 -0.17 2.45 5.68 -1.24 -4.97 116.55 115.84 2iur n ASP 118 Ca -0.17 -1.54 -0.02 0.00 -0.50 0.00 0.00 54.79 52.56 2iur n ASP 118 Cb 0.42 0.37 -0.01 0.00 -1.14 0.00 0.00 41.12 40.77 2iur n ASP 118 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2iur n GLY 119 N 1.40 0.51 3.96 6.12 0.00 -0.16 -5.01 105.19 112.01 2iur n GLY 119 Ca 0.10 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 2iur n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iur s LYS 120 N -1.30 3.36 -0.14 1.61 1.02 -1.24 -4.84 119.74 118.21 2iur s LYS 120 Ca 0.00 -0.81 -0.06 0.00 0.02 0.00 0.00 55.97 55.12 2iur s LYS 120 Cb 0.00 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 2iur s LYS 120 CO 0.00 0.39 0.08 -0.51 -0.92 0.00 0.00 175.35 174.39 2iur s ASP 121 N -3.99 5.82 0.03 2.83 1.01 -1.26 -0.81 116.67 120.30 2iur s ASP 121 Ca 0.35 0.24 0.07 0.00 0.71 0.00 0.00 52.55 53.92 2iur s ASP 121 Cb -0.09 -1.88 -0.02 0.00 1.01 0.00 0.00 42.92 41.94 2iur s ASP 121 CO 0.29 0.31 -0.21 -0.31 0.21 0.00 0.00 175.17 175.45 2iur s TYR 122 N -0.43 1.88 -0.13 4.23 1.51 -0.52 -0.23 117.35 123.66 2iur s TYR 122 Ca 0.10 -0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 55.49 2iur s TYR 122 Cb -0.12 -1.15 -0.01 0.00 -0.11 0.00 0.00 41.96 40.58 2iur s TYR 122 CO 0.02 0.06 1.03 -0.51 -1.11 0.00 0.00 175.55 175.04 2iur s LEU 123 N -1.01 4.21 -0.16 -1.29 1.43 -0.18 -1.46 118.68 120.22 2iur s LEU 123 Ca 0.08 1.51 -0.01 0.00 -1.03 0.00 0.00 54.13 54.69 2iur s LEU 123 Cb -0.09 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 2iur s LEU 123 CO 0.01 -0.51 -0.12 -0.63 0.23 0.00 0.00 176.35 175.33 2iur s ILE 124 N 2.31 2.90 -0.25 -0.59 -1.09 0.34 -1.00 121.20 123.82 2iur s ILE 124 Ca 0.48 -0.69 -0.15 0.00 -2.23 0.00 0.00 60.65 58.06 2iur s ILE 124 Cb -0.18 -2.25 -0.04 0.00 -1.58 0.00 0.00 42.46 38.42 2iur s ILE 124 CO 0.15 0.50 0.39 -0.55 -1.23 0.00 0.00 174.94 174.20 2iur s SER 125 N 0.86 6.32 -1.07 3.58 0.15 0.14 -0.37 113.70 123.32 2iur s SER 125 Ca -0.04 0.37 -0.11 0.00 0.70 0.00 0.00 55.95 56.87 2iur s SER 125 Cb -0.15 -2.22 0.24 0.00 -1.71 0.00 0.00 66.02 62.18 2iur s SER 125 CO -0.00 -0.16 1.10 -0.31 1.20 0.00 0.00 173.24 175.06 2iur s TYR 126 N 1.89 4.02 0.22 3.44 1.51 -1.26 -0.92 117.35 126.24 2iur s TYR 126 Ca 0.17 -2.42 -0.30 0.00 -1.01 0.00 0.00 57.07 53.50 2iur s TYR 126 Cb -0.15 -3.93 -0.09 0.00 -0.11 0.00 0.00 41.96 37.68 2iur s TYR 126 CO 0.09 -1.05 0.94 -1.01 -1.11 0.00 0.00 175.55 173.41 2iur s HIS 127 N -0.40 3.96 0.39 2.71 3.76 -1.24 -4.65 115.29 119.82 2iur s HIS 127 Ca 0.30 1.89 -0.03 0.00 -0.15 0.00 0.00 55.06 57.07 2iur s HIS 127 Cb -0.09 -2.98 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 2iur s HIS 127 CO -0.07 0.43 0.65 -0.51 -0.85 0.00 0.00 174.74 174.39 2iur s ASP 128 N -1.03 6.32 -0.07 1.40 1.01 -1.26 -0.61 116.67 122.43 2iur s ASP 128 Ca 0.42 0.71 -0.01 0.00 0.71 0.00 0.00 52.55 54.38 2iur s ASP 128 Cb -0.26 -2.15 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 2iur s ASP 128 CO 0.31 -0.39 -0.01 0.00 0.21 0.00 0.00 175.17 175.29 2iur n GLY 131 N -0.16 0.64 3.10 0.00 0.00 -0.07 -1.03 105.19 107.66 2iur n GLY 131 Ca -0.09 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 2iur n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iur s LYS 132 N -0.71 0.63 0.95 1.61 1.02 -1.26 -4.92 119.74 117.06 2iur s LYS 132 Ca 0.00 -1.06 -0.12 0.00 0.02 0.00 0.00 55.97 54.80 2iur s LYS 132 Cb 0.00 -0.07 0.16 0.00 -0.52 0.00 0.00 37.83 37.39 2iur s LYS 132 CO 0.00 -0.03 1.11 0.95 -0.92 0.00 0.00 175.35 176.46 2iur s THR 133 N -2.86 2.16 0.19 2.17 -4.23 -1.26 -3.26 115.64 108.55 2iur s THR 133 Ca 0.01 0.05 -0.33 0.00 -1.18 0.00 0.00 61.69 60.25 2iur s THR 133 Cb 0.00 -2.66 -0.14 0.00 1.34 0.00 0.00 72.50 71.05 2iur s THR 133 CO -0.04 -0.07 1.49 0.00 -0.54 0.00 0.00 174.62 175.46 2iur n ALA 134 N -3.95 1.13 -0.13 3.99 0.00 -1.21 -4.58 120.51 115.76 2iur n ALA 134 Ca 0.06 0.44 -0.09 0.00 0.00 0.00 0.00 53.44 53.84 2iur n ALA 134 Cb 0.58 -2.30 -0.01 0.00 0.00 0.00 0.00 19.45 17.71 2iur n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2iur n GLY 136 N -0.71 1.29 3.64 0.00 0.00 -1.26 -5.02 105.19 103.12 2iur n GLY 136 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2iur n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iur s ARG 137 N -0.39 2.68 -1.20 1.61 0.52 -1.26 -4.71 118.95 116.20 2iur s ARG 137 Ca 0.00 -0.66 -0.06 0.00 -0.52 0.00 0.00 55.73 54.49 2iur s ARG 137 Cb 0.00 -2.59 -0.02 0.00 0.52 0.00 0.00 34.95 32.86 2iur s ARG 137 CO 0.00 0.62 0.80 0.00 0.02 0.00 0.00 175.30 176.74 2iur s GLN 139 N -5.56 4.35 0.13 0.00 0.74 -1.26 -1.59 119.66 116.47 2iur s GLN 139 Ca 0.21 2.04 0.08 0.00 0.05 0.00 0.00 55.36 57.73 2iur s GLN 139 Cb -0.05 -3.24 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 2iur s GLN 139 CO 0.80 -0.37 -0.18 0.00 -0.55 0.00 0.00 175.29 174.99 2iur n ASN 141 N 0.65 -0.06 -4.90 0.00 5.15 -1.16 -1.41 115.26 113.53 2iur n ASN 141 Ca -0.16 -3.17 -0.32 0.00 -0.60 0.00 0.00 54.58 50.33 2iur n ASN 141 Cb 0.56 0.06 -0.05 0.00 -0.53 0.00 0.00 39.78 39.82 2iur n ASN 141 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2iur s THR 142 N -1.64 5.27 -0.02 -0.44 2.01 0.23 -4.96 115.64 116.09 2iur s THR 142 Ca 0.35 -0.10 0.11 0.00 0.31 0.00 0.00 61.69 62.36 2iur s THR 142 Cb 0.32 -3.62 0.19 0.00 0.01 0.00 0.00 72.50 69.40 2iur s THR 142 CO -0.08 0.14 1.08 0.00 -0.69 0.00 0.00 174.62 175.07 2iur n GLN 143 N 0.35 0.20 -1.81 4.92 1.13 -1.11 -3.41 117.38 117.66 2iur n GLN 143 Ca -0.05 -1.59 -0.42 0.00 -1.94 0.00 0.00 57.00 53.00 2iur n GLN 143 Cb 0.52 -0.49 -0.03 0.00 0.11 0.00 0.00 30.24 30.34 2iur n GLN 143 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2iur s THR 144 N -0.44 3.25 -0.33 5.09 2.01 -0.43 -1.87 115.64 122.92 2iur s THR 144 Ca 0.16 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.46 2iur s THR 144 Cb 0.17 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.48 2iur s THR 144 CO -0.05 -0.03 0.00 0.54 -0.69 0.00 0.00 174.62 174.38 2iur n ARG 145 N 7.44 -1.45 -2.41 4.92 1.74 -1.26 -4.59 116.66 121.05 2iur n ARG 145 Ca 0.19 0.52 -0.40 0.00 -0.77 0.00 0.00 57.85 57.39 2iur n ARG 145 Cb 0.42 -4.67 -0.04 0.00 -1.02 0.00 0.00 32.46 27.15 2iur n ARG 145 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2iur s GLU 146 N -1.89 4.48 0.21 5.56 -6.30 -0.78 -4.96 118.70 115.03 2iur s GLU 146 Ca 0.00 1.84 0.05 0.00 -2.50 0.00 0.00 54.97 54.36 2iur s GLU 146 Cb 0.00 -3.05 -0.05 0.00 0.00 0.00 0.00 34.13 31.03 2iur s GLU 146 CO 0.00 0.06 -0.06 1.03 0.02 0.00 0.00 175.26 176.31 2iur s ARG 147 N -1.70 1.30 1.20 4.30 1.81 -0.94 -5.02 118.95 119.89 2iur s ARG 147 Ca 0.48 -1.62 -0.20 0.00 -1.72 0.00 0.00 55.73 52.67 2iur s ARG 147 Cb -0.32 -0.77 0.29 0.00 -0.45 0.00 0.00 34.95 33.70 2iur s ARG 147 CO 0.41 0.01 1.13 -2.14 -0.68 0.00 0.00 175.30 174.03 2iur s PRO 148 N -3.78 -1.22 0.17 3.54 0.02 -1.26 -3.64 135.00 128.83 2iur s PRO 148 Ca 0.25 -0.17 0.18 0.00 0.02 0.00 0.00 61.00 61.28 2iur s PRO 148 Cb 0.04 -1.61 0.82 0.00 0.02 0.00 0.00 34.50 33.77 2iur s PRO 148 CO 0.07 -3.69 1.56 0.41 -0.33 0.00 0.00 177.00 175.02 2iur n GLY 149 N -1.23 -1.05 0.00 0.52 0.00 -1.26 -0.95 105.19 101.22 2iur n GLY 149 Ca 0.14 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.34 2iur n GLY 149 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2iur n TYR 150 N -1.97 0.00 -3.57 1.61 0.18 -1.26 -2.98 117.16 109.17 2iur n TYR 150 Ca 0.02 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.52 2iur n TYR 150 Cb 0.15 -0.32 -0.09 0.00 -0.38 0.00 0.00 39.34 38.70 2iur n TYR 150 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2iur n GLU 151 N -1.32 2.28 -0.18 -3.48 1.02 -0.13 -5.02 120.64 113.82 2iur n GLU 151 Ca 0.10 -4.59 -0.01 0.00 -0.02 0.00 0.00 57.16 52.64 2iur n GLU 151 Cb 0.21 -2.25 0.22 0.00 -0.02 0.00 0.00 31.44 29.59 2iur n GLU 151 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2iur h PHE 152 N 4.56 0.91 -0.13 -0.32 3.57 -1.69 -0.97 116.94 122.85 2iur h PHE 152 Ca 0.18 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2iur h PHE 152 Cb 0.69 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2iur h PHE 152 CO 0.70 0.66 0.00 1.19 -2.23 0.00 0.00 178.31 178.63 2iur n PHE 153 N -4.35 0.17 -0.13 0.41 3.01 -1.26 -2.08 117.46 113.24 2iur n PHE 153 Ca 0.06 -0.09 0.09 0.00 1.01 0.00 0.00 57.45 58.52 2iur n PHE 153 Cb 0.13 0.00 0.22 0.00 -0.01 0.00 0.00 39.48 39.82 2iur n PHE 153 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2iur n LEU 154 N -0.00 3.35 -4.63 4.37 4.77 -0.37 -0.57 117.00 123.91 2iur n LEU 154 Ca 0.14 -1.85 -0.35 0.00 -0.03 0.00 0.00 56.01 53.92 2iur n LEU 154 Cb 0.23 -0.32 -0.10 0.00 -2.33 0.00 0.00 43.42 40.90 2iur n LEU 154 CO 0.11 0.81 -0.29 -2.28 -1.33 0.00 0.00 177.39 174.41 2iur s HIS 155 N -1.07 3.19 -0.08 -1.77 2.46 -0.88 -2.21 115.29 114.92 2iur s HIS 155 Ca 0.35 0.05 0.12 0.00 0.47 0.00 0.00 55.06 56.05 2iur s HIS 155 Cb 0.19 -1.95 0.18 0.00 -0.13 0.00 0.00 32.58 30.88 2iur s HIS 155 CO 0.25 0.25 1.09 0.27 -2.47 0.00 0.00 174.74 174.13 2iur n ASN 156 N 2.98 2.15 -1.59 9.88 0.23 -1.26 -4.55 115.26 123.10 2iur n ASN 156 Ca -0.18 -2.67 0.07 0.00 -0.53 0.00 0.00 54.58 51.27 2iur n ASN 156 Cb 0.53 -0.28 0.33 0.00 -2.08 0.00 0.00 39.78 38.29 2iur n ASN 156 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2iur n ASP 157 N -1.07 4.72 -4.47 0.53 8.00 -1.26 -4.69 116.55 118.30 2iur n ASP 157 Ca 0.10 -2.63 -0.24 0.00 0.71 0.00 0.00 54.79 52.73 2iur n ASP 157 Cb 0.51 -0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 40.90 2iur n ASP 157 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2iur s VAL 158 N -2.22 2.32 -0.57 2.53 -7.23 -1.26 -5.10 120.40 108.86 2iur s VAL 158 Ca 0.46 -2.33 -0.28 0.00 -1.81 0.00 0.00 61.98 58.02 2iur s VAL 158 Cb 0.33 -2.37 0.03 0.00 0.56 0.00 0.00 36.38 34.93 2iur s VAL 158 CO 0.17 -0.37 1.15 0.21 -0.31 0.00 0.00 175.10 175.96 2iur s ASN 159 N -3.51 6.44 0.00 4.85 2.47 -1.26 -4.89 114.94 119.03 2iur s ASN 159 Ca 0.30 0.05 0.19 0.00 0.42 0.00 0.00 52.86 53.83 2iur s ASN 159 Cb -0.02 -2.54 1.16 0.00 -1.45 0.00 0.00 41.25 38.40 2iur s ASN 159 CO 0.14 -1.43 1.56 0.79 -3.72 0.00 0.00 177.10 174.44 2iur n TRP 160 N 8.27 0.00 1.92 0.43 7.02 -1.26 -1.37 117.44 132.45 2iur n TRP 160 Ca 0.08 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.68 2iur n TRP 160 Cb 0.49 0.00 0.73 0.00 -2.42 0.00 0.00 31.31 30.10 2iur n TRP 160 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2iur h MET 162 N 0.29 0.00 -0.14 0.00 -0.00 -1.51 -1.54 114.93 112.04 2iur h MET 162 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2iur h MET 162 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.66 2iur h MET 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.91 2iur n ALA 163 N -2.11 2.39 -1.38 -3.00 0.00 -1.26 -4.92 120.51 110.23 2iur n ALA 163 Ca -0.03 -0.78 -0.31 0.00 0.00 0.00 0.00 53.44 52.32 2iur n ALA 163 Cb 0.08 -0.46 0.07 0.00 0.00 0.00 0.00 19.45 19.14 2iur n ALA 163 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2iur s ASN 164 N -1.05 4.85 0.23 0.00 0.01 -0.58 -4.95 114.94 113.46 2iur s ASN 164 Ca 0.19 1.75 -0.06 0.00 -0.71 0.00 0.00 52.86 54.03 2iur s ASN 164 Cb 0.12 -2.51 0.38 0.00 0.41 0.00 0.00 41.25 39.64 2iur s ASN 164 CO 0.17 -1.80 1.77 -0.08 -1.51 0.00 0.00 177.10 175.65 2iur h GLU 165 N -0.95 0.58 -4.92 -0.60 4.81 -1.95 -3.34 114.58 108.21 2iur h GLU 165 Ca -0.44 -0.03 -0.64 0.00 -0.13 0.00 0.00 59.36 58.12 2iur h GLU 165 Cb 1.22 -0.13 -0.35 0.00 0.63 0.00 0.00 28.75 30.12 2iur h GLU 165 CO 0.53 0.38 -0.85 1.21 -0.73 0.00 0.00 179.01 179.56 2iur s ASN 166 N -5.48 2.89 0.00 1.04 3.84 -1.26 -5.03 114.94 110.94 2iur s ASN 166 Ca -0.12 -0.56 0.21 0.00 0.21 0.00 0.00 52.86 52.60 2iur s ASN 166 Cb 0.19 -1.32 0.87 0.00 -0.55 0.00 0.00 41.25 40.44 2iur s ASN 166 CO 0.77 0.00 1.61 -1.54 -2.79 0.00 0.00 177.10 175.15 2iur n SER 167 N 4.50 1.26 -4.74 -4.21 3.41 -1.26 -3.17 113.62 109.41 2iur n SER 167 Ca -0.19 -1.61 -0.42 0.00 -0.26 0.00 0.00 58.87 56.39 2iur n SER 167 Cb 0.50 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 2iur n SER 167 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2iur s THR 168 N -1.86 2.44 -0.15 6.66 2.01 -1.26 -4.73 115.64 118.75 2iur s THR 168 Ca 0.32 0.35 -0.19 0.00 0.31 0.00 0.00 61.69 62.48 2iur s THR 168 Cb 0.17 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 2iur s THR 168 CO 0.26 0.05 0.53 0.12 -0.69 0.00 0.00 174.62 174.89 2iur s PHE 169 N 0.32 3.46 -0.15 4.92 5.36 -1.26 -0.89 117.98 129.73 2iur s PHE 169 Ca 0.64 0.89 -0.12 0.00 -0.96 0.00 0.00 56.93 57.37 2iur s PHE 169 Cb -0.44 -2.64 -0.06 0.00 -0.34 0.00 0.00 43.02 39.53 2iur s PHE 169 CO 0.41 0.03 -0.26 1.58 -1.46 0.00 0.00 175.22 175.52 2iur n HIS 170 N 4.21 0.00 -3.82 10.12 -0.00 -0.49 -3.34 115.22 121.91 2iur n HIS 170 Ca -0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.61 2iur n HIS 170 Cb 0.51 -0.52 -0.00 0.00 -0.00 0.00 0.00 29.99 29.98 2iur n HIS 170 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2iur s THR 172 N -3.18 1.61 0.39 0.00 2.01 0.86 -0.11 115.64 117.22 2iur s THR 172 Ca 0.14 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.38 2iur s THR 172 Cb -0.04 -1.39 -0.00 0.00 0.01 0.00 0.00 72.50 71.08 2iur s THR 172 CO 0.06 0.46 0.55 0.42 -0.69 0.00 0.00 174.62 175.42 2iur s THR 173 N 0.08 3.83 -0.43 -0.82 -4.23 0.22 -1.46 115.64 112.83 2iur s THR 173 Ca -0.06 -0.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.61 2iur s THR 173 Cb -0.13 -3.35 0.13 0.00 1.34 0.00 0.00 72.50 70.49 2iur s THR 173 CO 0.03 -0.17 0.22 -0.44 -0.54 0.00 0.00 174.62 173.72 2iur s SER 174 N -4.22 3.82 -0.29 3.99 0.01 -1.14 -3.64 113.70 112.23 2iur s SER 174 Ca 0.48 -2.54 -0.12 0.00 1.31 0.00 0.00 55.95 55.08 2iur s SER 174 Cb -0.10 -1.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.97 2iur s SER 174 CO 0.33 -0.28 0.23 -0.69 0.41 0.00 0.00 173.24 173.24 2iur s VAL 175 N 0.44 5.28 -0.21 3.43 1.01 -0.10 -4.78 120.40 125.47 2iur s VAL 175 Ca 0.16 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 2iur s VAL 175 Cb -0.24 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 2iur s VAL 175 CO -0.03 0.20 1.29 -0.22 0.00 0.00 0.00 175.10 176.34 2iur s LEU 176 N 1.81 4.08 -0.17 3.92 1.98 -1.26 0.26 118.68 129.31 2iur s LEU 176 Ca 0.08 1.54 -0.18 0.00 -2.89 0.00 0.00 54.13 52.69 2iur s LEU 176 Cb -0.16 -3.54 -0.22 0.00 0.66 0.00 0.00 46.19 42.93 2iur s LEU 176 CO 0.11 -0.88 0.33 0.58 -1.89 0.00 0.00 176.35 174.60 2iur h VAL 177 N 5.66 0.91 0.00 1.68 2.07 -1.44 -3.48 116.25 121.65 2iur h VAL 177 Ca -0.27 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.00 2iur h VAL 177 Cb 1.10 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 2iur h VAL 177 CO 0.99 0.51 0.00 0.61 0.02 0.00 0.00 177.57 179.71 2iur n GLY 178 N 1.61 -1.09 3.77 2.17 0.00 -1.22 -5.02 105.19 105.41 2iur n GLY 178 Ca -0.30 -1.28 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 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 4.24 0.00 0.99 1.43 -1.26 -1.01 118.68 123.07 2iur s LEU 179 Ca 0.00 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 2iur s LEU 179 Cb 0.00 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.36 2iur s LEU 179 CO 0.00 -0.82 0.00 0.00 0.23 0.00 0.00 176.35 175.76