#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1buu h ILE 74 N 0.00 0.58 0.00 0.00 6.09 -2.06 -3.18 117.51 118.94 1buu h ILE 74 Ca 0.00 -0.91 0.00 0.00 -1.37 0.00 0.00 64.86 62.58 1buu h ILE 74 Cb 0.00 0.96 0.00 0.00 0.47 0.00 0.00 36.82 38.25 1buu h ILE 74 CO 0.00 0.14 0.00 -0.08 -3.07 0.00 0.00 178.15 175.14 1buu h GLU 75 N -0.93 0.00 -0.03 2.19 4.81 -2.05 -3.20 114.58 115.36 1buu h GLU 75 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1buu h GLU 75 Cb 0.49 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1buu h GLU 75 CO 0.06 0.00 0.02 0.28 -0.73 0.00 0.00 179.01 178.63 1buu h VAL 76 N 0.00 1.03 -0.25 0.32 2.07 -2.00 0.07 116.25 117.49 1buu h VAL 76 Ca 0.00 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1buu h VAL 76 Cb 0.67 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1buu h VAL 76 CO 0.00 0.02 0.03 0.11 0.02 0.00 0.00 177.57 177.75 1buu h LYS 77 N 0.02 0.43 -0.67 1.57 1.57 -1.55 -1.46 116.57 116.48 1buu h LYS 77 Ca 0.01 -0.12 0.10 0.00 -1.87 0.00 0.00 60.65 58.77 1buu h LYS 77 Cb 0.02 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 1buu h LYS 77 CO -0.00 0.57 0.44 -0.07 -0.57 0.00 0.00 179.45 179.82 1buu h LEU 78 N 0.23 0.46 -0.07 2.94 3.38 -1.53 0.36 115.31 121.08 1buu h LEU 78 Ca 0.08 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1buu h LEU 78 Cb 0.35 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1buu h LEU 78 CO 0.01 0.28 -0.16 0.00 0.09 0.00 0.00 178.44 178.65 1buu h ALA 79 N 1.66 0.11 -0.59 1.53 0.00 -0.67 -1.08 119.26 120.23 1buu h ALA 79 Ca 0.31 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1buu h ALA 79 Cb 0.52 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1buu h ALA 79 CO -0.10 0.03 0.12 -0.91 0.00 0.00 0.00 179.25 178.39 1buu h ASN 80 N -0.26 0.88 0.37 0.00 -0.26 -0.40 -1.26 115.58 114.65 1buu h ASN 80 Ca -0.00 -0.18 -0.17 0.00 -0.56 0.00 0.00 56.30 55.39 1buu h ASN 80 Cb 0.76 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.78 1buu h ASN 80 CO 0.03 0.87 -0.71 0.24 -1.06 0.00 0.00 177.43 176.80 1buu h MET 81 N 0.88 0.29 -0.22 0.81 2.86 -0.34 0.20 114.93 119.41 1buu h MET 81 Ca 0.19 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1buu h MET 81 Cb 0.35 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1buu h MET 81 CO 0.00 0.88 -0.07 1.49 1.06 0.00 0.00 176.91 180.28 1buu h GLU 82 N 0.20 0.43 -0.39 1.72 4.81 -0.91 0.10 114.58 120.55 1buu h GLU 82 Ca -0.02 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 58.97 1buu h GLU 82 Cb 1.26 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 1buu h GLU 82 CO 0.11 0.68 -0.05 0.00 -0.73 0.00 0.00 179.01 179.02 1buu h ALA 83 N 0.74 1.19 -0.53 2.92 0.00 -1.22 -1.27 119.26 121.08 1buu h ALA 83 Ca 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1buu h ALA 83 Cb 0.53 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1buu h ALA 83 CO 0.02 0.53 0.31 1.49 0.00 0.00 0.00 179.25 181.60 1buu h GLU 84 N 0.60 0.73 -0.73 0.00 4.57 -0.59 -1.50 114.58 117.66 1buu h GLU 84 Ca 0.12 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 1buu h GLU 84 Cb 0.46 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1buu h GLU 84 CO 0.02 0.54 0.27 0.82 -1.18 0.00 0.00 179.01 179.48 1buu h ILE 85 N 0.71 1.25 -0.58 2.32 2.04 -0.23 -2.71 117.51 120.32 1buu h ILE 85 Ca 0.19 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 1buu h ILE 85 Cb 0.01 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1buu h ILE 85 CO -0.03 0.33 0.17 0.78 0.00 0.00 0.00 178.15 179.40 1buu h ASN 86 N 1.08 0.82 -0.26 1.72 2.35 -0.60 -1.31 115.58 119.37 1buu h ASN 86 Ca 0.24 -0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 55.75 1buu h ASN 86 Cb 0.24 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1buu h ASN 86 CO -0.02 0.78 -0.18 0.71 -1.65 0.00 0.00 177.43 177.08 1buu h THR 87 N 0.86 1.26 -0.56 2.81 1.35 -1.00 -1.48 112.91 116.15 1buu h THR 87 Ca 0.19 -1.25 -0.11 0.00 -0.55 0.00 0.00 66.41 64.69 1buu h THR 87 Cb 0.27 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 1buu h THR 87 CO -0.01 0.42 -0.08 -0.07 -0.25 0.00 0.00 175.52 175.53 1buu h LEU 88 N 0.63 1.03 -0.58 3.87 3.38 -1.15 -0.91 115.31 121.58 1buu h LEU 88 Ca 0.10 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1buu h LEU 88 Cb 0.66 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1buu h LEU 88 CO 0.05 1.12 0.38 0.11 0.09 0.00 0.00 178.44 180.18 1buu h LYS 89 N 0.93 0.73 -0.67 1.13 1.57 -0.91 -1.14 116.57 118.21 1buu h LYS 89 Ca 0.15 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1buu h LYS 89 Cb 0.64 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1buu h LYS 89 CO 0.04 0.49 0.19 0.77 -0.57 0.00 0.00 179.45 180.37 1buu h SER 90 N 0.76 1.00 -0.39 0.86 0.02 -0.96 -1.46 113.55 113.38 1buu h SER 90 Ca 0.22 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1buu h SER 90 Cb -0.05 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 1buu h SER 90 CO -0.07 0.95 0.17 0.11 -1.14 0.00 0.00 176.83 176.85 1buu h LYS 91 N 0.99 0.57 -0.55 3.45 1.57 -0.78 -2.51 116.57 119.31 1buu h LYS 91 Ca 0.21 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1buu h LYS 91 Cb 0.33 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1buu h LYS 91 CO -0.00 0.53 0.10 1.25 -0.57 0.00 0.00 179.45 180.76 1buu h LEU 92 N 0.48 0.80 -0.92 2.94 5.85 -1.05 -1.15 115.31 122.26 1buu h LEU 92 Ca 0.13 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1buu h LEU 92 Cb 0.16 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1buu h LEU 92 CO -0.01 0.81 0.57 -0.33 -0.34 0.00 0.00 178.44 179.13 1buu h GLU 93 N 0.82 1.24 -0.37 1.25 5.08 -1.03 -0.36 114.58 121.21 1buu h GLU 93 Ca 0.17 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1buu h GLU 93 Cb 0.34 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1buu h GLU 93 CO 0.00 0.85 -0.17 1.25 -1.00 0.00 0.00 179.01 179.94 1buu h LEU 94 N 1.26 0.79 -0.50 1.33 5.85 -1.01 -1.67 115.31 121.36 1buu h LEU 94 Ca 0.33 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.71 1buu h LEU 94 Cb -0.08 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.68 1buu h LEU 94 CO -0.06 1.01 0.21 0.74 -0.34 0.00 0.00 178.44 180.00 1buu h THR 95 N 0.55 0.88 -0.67 1.05 2.02 -0.74 0.11 112.91 116.11 1buu h THR 95 Ca 0.08 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1buu h THR 95 Cb 0.72 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1buu h THR 95 CO 0.05 0.07 0.24 0.78 0.37 0.00 0.00 175.52 177.04 1buu h ASN 96 N 0.41 0.95 -0.15 4.18 -0.26 -0.94 -0.35 115.58 119.42 1buu h ASN 96 Ca 0.23 -0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 55.78 1buu h ASN 96 Cb 0.21 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1buu h ASN 96 CO -0.21 0.88 0.06 0.11 -1.06 0.00 0.00 177.43 177.20 1buu h LYS 97 N 0.96 0.22 -0.82 0.81 1.57 -0.53 -1.46 116.57 117.32 1buu h LYS 97 Ca 0.22 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1buu h LYS 97 Cb 0.25 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1buu h LYS 97 CO -0.01 0.32 0.38 1.25 -0.57 0.00 0.00 179.45 180.81 1buu h LEU 98 N 0.08 1.10 -0.20 2.94 5.85 -0.69 -1.59 115.31 122.80 1buu h LEU 98 Ca 0.05 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1buu h LEU 98 Cb 0.18 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1buu h LEU 98 CO -0.00 0.94 0.12 -0.74 -0.34 0.00 0.00 178.44 178.42 1buu h HIS 99 N 1.18 0.25 -0.59 1.25 2.76 -0.89 0.14 115.15 119.26 1buu h HIS 99 Ca 0.28 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.49 1buu h HIS 99 Cb 0.15 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 28.98 1buu h HIS 99 CO 0.02 0.19 0.34 0.00 -1.30 0.00 0.00 177.93 177.17 1buu h ALA 100 N 1.05 0.77 -0.15 5.26 0.00 -1.01 0.10 119.26 125.29 1buu h ALA 100 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1buu h ALA 100 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1buu h ALA 100 CO -0.01 0.04 0.02 0.35 0.00 0.00 0.00 179.25 179.64 1buu h PHE 101 N 0.65 0.03 0.00 0.00 3.57 -0.93 -1.30 116.94 118.96 1buu h PHE 101 Ca 0.25 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1buu h PHE 101 Cb 0.09 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 1buu h PHE 101 CO -0.07 0.00 -0.15 0.66 -2.23 0.00 0.00 178.31 176.52 1buu h SER 102 N 0.07 0.00 -0.03 0.41 4.64 -0.33 -0.48 113.55 117.84 1buu h SER 102 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1buu h SER 102 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1buu h SER 102 CO -0.10 0.15 0.00 0.23 -0.87 0.00 0.00 176.83 176.24 1buu n MET 103 N -3.97 1.13 -0.59 4.77 2.81 0.30 -4.89 117.12 116.67 1buu n MET 103 Ca -0.02 -0.19 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 1buu n MET 103 Cb 0.23 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 1buu n MET 103 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1buu n GLY 104 N 0.87 0.67 3.68 3.03 0.00 -0.19 -4.83 105.19 108.41 1buu n GLY 104 Ca 0.15 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1buu n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1buu s LYS 105 N -0.83 4.20 0.22 1.61 2.20 -0.58 -4.95 119.74 121.60 1buu s LYS 105 Ca 0.00 2.29 -0.22 0.00 -0.36 0.00 0.00 55.97 57.68 1buu s LYS 105 Cb 0.00 -3.71 -0.08 0.00 -1.51 0.00 0.00 37.83 32.53 1buu s LYS 105 CO 0.00 -0.76 0.78 0.15 -0.36 0.00 0.00 175.35 175.16 1buu s LYS 106 N 3.01 4.41 -0.19 4.03 -0.14 -1.26 -4.70 119.74 124.89 1buu s LYS 106 Ca 0.74 1.04 -0.40 0.00 -1.36 0.00 0.00 55.97 55.98 1buu s LYS 106 Cb -0.38 -2.99 -0.17 0.00 -1.68 0.00 0.00 37.83 32.62 1buu s LYS 106 CO 0.32 0.43 1.57 0.43 -0.76 0.00 0.00 175.35 177.33 1buu n SER 107 N 0.97 1.83 -1.24 2.83 7.64 -1.26 -0.99 113.62 123.41 1buu n SER 107 Ca -0.03 1.11 -0.16 0.00 1.01 0.00 0.00 58.87 60.80 1buu n SER 107 Cb 0.50 -1.10 -0.07 0.00 -1.01 0.00 0.00 64.21 62.53 1buu n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1buu n GLY 108 N 3.52 1.62 3.22 0.23 0.00 -1.26 -5.00 105.19 107.52 1buu n GLY 108 Ca 0.25 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1buu n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1buu s LYS 109 N -3.36 0.95 0.69 1.61 1.02 -0.16 -4.82 119.74 115.67 1buu s LYS 109 Ca 0.00 -1.12 -0.15 0.00 0.02 0.00 0.00 55.97 54.71 1buu s LYS 109 Cb 0.00 -0.90 0.02 0.00 -0.52 0.00 0.00 37.83 36.43 1buu s LYS 109 CO 0.00 0.18 1.16 -1.59 -0.92 0.00 0.00 175.35 174.19 1buu s LYS 110 N -2.27 2.48 0.14 1.68 -2.85 -1.26 -4.27 119.74 113.38 1buu s LYS 110 Ca 0.05 1.60 0.05 0.00 -1.00 0.00 0.00 55.97 56.66 1buu s LYS 110 Cb -0.07 -1.89 -0.04 0.00 -2.06 0.00 0.00 37.83 33.77 1buu s LYS 110 CO 0.03 -1.54 -0.11 -0.59 0.10 0.00 0.00 175.35 173.24 1buu s PHE 111 N -2.12 1.25 0.02 1.78 -0.71 -0.70 -4.69 117.98 112.81 1buu s PHE 111 Ca 0.71 -0.72 0.07 0.00 -1.04 0.00 0.00 56.93 55.95 1buu s PHE 111 Cb -0.25 -0.64 -0.03 0.00 -1.21 0.00 0.00 43.02 40.89 1buu s PHE 111 CO 0.43 0.08 -0.20 -0.06 -1.34 0.00 0.00 175.22 174.12 1buu s PHE 112 N -3.07 2.50 0.01 3.49 0.08 -1.26 -1.14 117.98 118.58 1buu s PHE 112 Ca 0.14 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.89 1buu s PHE 112 Cb 0.01 -1.48 -0.01 0.00 -0.57 0.00 0.00 43.02 40.97 1buu s PHE 112 CO 0.01 0.18 -0.02 0.08 -0.10 0.00 0.00 175.22 175.37 1buu s VAL 113 N -0.83 0.06 0.04 -0.44 1.01 -0.11 -4.95 120.40 115.18 1buu s VAL 113 Ca 0.13 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1buu s VAL 113 Cb -0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 1buu s VAL 113 CO 0.03 -0.26 -0.01 0.28 0.00 0.00 0.00 175.10 175.14 1buu s THR 114 N -0.75 0.17 -1.09 3.92 -1.32 -1.26 -0.84 115.64 114.47 1buu s THR 114 Ca -0.08 -1.40 0.12 0.00 -1.21 0.00 0.00 61.69 59.11 1buu s THR 114 Cb -0.05 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.24 1buu s THR 114 CO -0.01 -0.77 1.23 -0.46 -2.21 0.00 0.00 174.62 172.40 1buu n ASN 115 N 0.71 2.88 -0.59 8.08 6.94 -1.26 -4.97 115.26 127.05 1buu n ASN 115 Ca -0.18 -1.93 -0.08 0.00 -0.02 0.00 0.00 54.58 52.37 1buu n ASN 115 Cb 0.59 -0.22 -0.03 0.00 -2.36 0.00 0.00 39.78 37.75 1buu n ASN 115 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1buu n HIS 116 N 0.62 0.00 -3.18 -2.53 8.25 -1.26 -4.99 115.22 112.14 1buu n HIS 116 Ca 0.12 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.19 1buu n HIS 116 Cb 0.42 -2.20 -0.06 0.00 1.12 0.00 0.00 29.99 29.28 1buu n HIS 116 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1buu s GLU 117 N -2.44 4.32 -0.17 -0.41 2.12 -1.26 -4.91 118.70 115.95 1buu s GLU 117 Ca 0.00 0.86 -0.08 0.00 0.36 0.00 0.00 54.97 56.11 1buu s GLU 117 Cb 0.00 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1buu s GLU 117 CO 0.00 0.58 0.10 1.03 -0.54 0.00 0.00 175.26 176.43 1buu s ARG 118 N -0.97 3.86 0.22 4.30 0.52 -1.26 -1.34 118.95 124.27 1buu s ARG 118 Ca 0.31 -0.25 -0.22 0.00 -0.52 0.00 0.00 55.73 55.06 1buu s ARG 118 Cb -0.20 -3.26 0.04 0.00 0.52 0.00 0.00 34.95 32.05 1buu s ARG 118 CO 0.21 0.44 0.68 0.00 0.02 0.00 0.00 175.30 176.65 1buu s MET 119 N -0.07 1.53 0.77 3.54 0.23 -0.20 -4.73 119.30 120.37 1buu s MET 119 Ca 0.09 -0.74 -0.13 0.00 -1.03 0.00 0.00 55.69 53.87 1buu s MET 119 Cb -0.12 0.59 0.06 0.00 -1.53 0.00 0.00 34.83 33.84 1buu s MET 119 CO 0.00 -0.69 1.18 -2.14 -2.03 0.00 0.00 175.02 171.34 1buu s PRO 120 N -3.81 1.91 0.26 3.16 0.02 -1.25 -1.76 135.00 133.54 1buu s PRO 120 Ca 0.07 1.64 -0.02 0.00 0.02 0.00 0.00 61.00 62.71 1buu s PRO 120 Cb -0.04 -1.82 0.47 0.00 0.02 0.00 0.00 34.50 33.14 1buu s PRO 120 CO -0.02 -1.98 1.81 0.35 -0.33 0.00 0.00 177.00 176.83 1buu h PHE 121 N -0.72 0.96 -0.89 6.54 3.57 -1.41 -1.60 116.94 123.39 1buu h PHE 121 Ca -0.46 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.13 1buu h PHE 121 Cb 1.28 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.67 1buu h PHE 121 CO 0.49 0.37 0.58 0.66 -2.23 0.00 0.00 178.31 178.18 1buu h SER 122 N 0.85 0.88 0.02 0.41 4.64 -1.92 -0.57 113.55 117.86 1buu h SER 122 Ca 0.44 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.60 1buu h SER 122 Cb 0.44 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1buu h SER 122 CO -0.27 0.57 -0.58 0.11 -0.87 0.00 0.00 176.83 175.79 1buu h LYS 123 N 1.00 0.57 -0.36 4.77 1.57 -1.66 -2.17 116.57 120.29 1buu h LYS 123 Ca 0.38 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1buu h LYS 123 Cb 0.20 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1buu h LYS 123 CO -0.14 0.99 0.14 0.28 -0.57 0.00 0.00 179.45 180.15 1buu h VAL 124 N 0.43 1.19 -0.40 0.50 2.07 -0.84 -0.56 116.25 118.65 1buu h VAL 124 Ca 0.00 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 66.96 1buu h VAL 124 Cb 1.13 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1buu h VAL 124 CO 0.11 0.21 0.24 0.11 0.02 0.00 0.00 177.57 178.26 1buu h LYS 125 N 0.44 0.47 -0.69 1.57 1.57 -1.07 -0.58 116.57 118.29 1buu h LYS 125 Ca 0.12 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1buu h LYS 125 Cb 0.19 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1buu h LYS 125 CO -0.01 0.31 0.35 0.00 -0.57 0.00 0.00 179.45 179.53 1buu h ALA 126 N 1.17 0.88 -0.21 3.86 0.00 -1.20 -1.18 119.26 122.58 1buu h ALA 126 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1buu h ALA 126 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1buu h ALA 126 CO -0.06 0.42 -0.02 1.25 0.00 0.00 0.00 179.25 180.83 1buu h LEU 127 N 0.95 0.39 -1.28 0.00 5.85 -0.77 -0.58 115.31 119.87 1buu h LEU 127 Ca 0.24 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 1buu h LEU 127 Cb 0.08 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1buu h LEU 127 CO -0.03 0.63 -0.21 0.00 -0.34 0.00 0.00 178.44 178.49 1buu h SER 129 N 0.22 1.04 0.17 0.00 0.87 -1.01 0.25 113.55 115.09 1buu h SER 129 Ca 0.04 -0.36 -0.05 0.00 -1.23 0.00 0.00 61.79 60.19 1buu h SER 129 Cb 0.49 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1buu h SER 129 CO 0.03 1.16 -0.22 -0.08 -0.53 0.00 0.00 176.83 177.20 1buu h GLU 130 N 0.91 0.09 -0.12 2.24 4.81 -0.56 -1.31 114.58 120.63 1buu h GLU 130 Ca 0.13 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1buu h GLU 130 Cb 0.71 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1buu h GLU 130 CO 0.05 0.31 0.00 1.28 -0.73 0.00 0.00 179.01 179.92 1buu n LEU 131 N -4.25 1.24 -3.16 1.64 4.77 -0.78 -4.91 117.00 111.55 1buu n LEU 131 Ca -0.02 -0.52 -0.23 0.00 -0.03 0.00 0.00 56.01 55.22 1buu n LEU 131 Cb 0.30 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.36 1buu n LEU 131 CO 0.38 0.26 0.09 0.54 -1.33 0.00 0.00 177.39 177.32 1buu n ARG 132 N 0.04 -5.91 0.00 3.23 5.12 -0.50 -4.98 116.66 113.67 1buu n ARG 132 Ca 0.16 0.87 0.00 0.00 -1.93 0.00 0.00 57.85 56.94 1buu n ARG 132 Cb 0.26 -5.75 0.00 0.00 -1.16 0.00 0.00 32.46 25.81 1buu n ARG 132 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1buu n GLY 133 N -1.69 5.21 3.71 -0.13 0.00 0.04 -4.98 105.19 107.35 1buu n GLY 133 Ca -0.07 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 1buu n GLY 133 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1buu s THR 134 N 2.28 0.00 0.24 2.61 -1.32 -0.92 -4.30 115.64 114.23 1buu s THR 134 Ca 0.00 -0.78 -0.30 0.00 -1.21 0.00 0.00 61.69 59.40 1buu s THR 134 Cb 0.00 -1.74 -0.11 0.00 -1.51 0.00 0.00 72.50 69.14 1buu s THR 134 CO 0.00 -0.01 1.54 -0.69 -2.21 0.00 0.00 174.62 173.25 1buu s VAL 135 N -3.88 2.40 0.22 5.08 1.01 -1.26 -0.22 120.40 123.74 1buu s VAL 135 Ca 0.09 0.32 -0.32 0.00 0.00 0.00 0.00 61.98 62.08 1buu s VAL 135 Cb -0.04 -3.21 -0.14 0.00 0.00 0.00 0.00 36.38 32.99 1buu s VAL 135 CO 0.02 0.04 1.36 0.00 0.00 0.00 0.00 175.10 176.52 1buu n ALA 136 N 2.73 0.64 -3.63 5.51 0.00 -0.51 -3.95 120.51 121.30 1buu n ALA 136 Ca 0.09 0.43 -0.21 0.00 0.00 0.00 0.00 53.44 53.75 1buu n ALA 136 Cb 0.39 -2.22 -0.17 0.00 0.00 0.00 0.00 19.45 17.45 1buu n ALA 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1buu s ILE 137 N -0.01 -0.15 0.11 0.00 1.01 -1.26 -0.11 121.20 120.79 1buu s ILE 137 Ca 0.70 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 61.19 1buu s ILE 137 Cb -0.70 -0.39 -0.06 0.00 0.01 0.00 0.00 42.46 41.31 1buu s ILE 137 CO 0.49 -0.04 1.13 -2.84 0.00 0.00 0.00 174.94 173.68 1buu s PRO 138 N 2.20 4.52 0.00 2.79 0.02 -1.26 -4.92 135.00 138.35 1buu s PRO 138 Ca 0.04 1.71 0.05 0.00 0.02 0.00 0.00 61.00 62.82 1buu s PRO 138 Cb -0.14 -3.32 0.10 0.00 0.02 0.00 0.00 34.50 31.16 1buu s PRO 138 CO -0.07 -0.07 0.92 0.54 -0.33 0.00 0.00 177.00 177.99 1buu n ARG 139 N 3.16 1.48 -3.73 5.54 1.74 -1.26 -4.83 116.66 118.77 1buu n ARG 139 Ca 0.06 -1.34 -0.04 0.00 -0.77 0.00 0.00 57.85 55.76 1buu n ARG 139 Cb 0.47 -1.12 -0.01 0.00 -1.02 0.00 0.00 32.46 30.77 1buu n ARG 139 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1buu s ASN 140 N -0.75 -0.19 0.26 0.55 2.20 -1.26 -4.65 114.94 111.10 1buu s ASN 140 Ca 0.09 -0.36 -0.02 0.00 -0.94 0.00 0.00 52.86 51.63 1buu s ASN 140 Cb 0.05 0.47 0.44 0.00 -2.00 0.00 0.00 41.25 40.21 1buu s ASN 140 CO 0.07 -0.85 1.84 0.00 -2.94 0.00 0.00 177.10 175.22 1buu h ALA 141 N 2.00 1.33 0.03 3.54 0.00 -1.98 -1.50 119.26 122.68 1buu h ALA 141 Ca -0.24 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1buu h ALA 141 Cb 1.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1buu h ALA 141 CO 0.26 0.24 -0.14 1.49 0.00 0.00 0.00 179.25 181.10 1buu h GLU 142 N 0.96 -0.24 -0.24 0.00 4.81 -1.99 -1.45 114.58 116.43 1buu h GLU 142 Ca 0.43 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.61 1buu h GLU 142 Cb 0.33 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1buu h GLU 142 CO -0.23 -0.16 -0.14 0.93 -0.73 0.00 0.00 179.01 178.68 1buu h GLU 143 N -0.24 0.40 -0.55 1.92 5.08 -1.89 -0.82 114.58 118.48 1buu h GLU 143 Ca 0.04 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1buu h GLU 143 Cb 0.29 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1buu h GLU 143 CO -0.11 0.54 0.21 -0.97 -1.00 0.00 0.00 179.01 177.69 1buu h ASN 144 N 0.37 0.76 -0.38 1.42 -1.24 -0.82 -0.79 115.58 114.90 1buu h ASN 144 Ca 0.07 -0.17 -0.08 0.00 0.71 0.00 0.00 56.30 56.83 1buu h ASN 144 Cb 0.48 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 1buu h ASN 144 CO 0.03 0.73 -0.06 0.50 -1.29 0.00 0.00 177.43 177.34 1buu h LYS 145 N 0.75 0.71 -0.30 6.67 3.64 -0.95 -2.07 116.57 125.02 1buu h LYS 145 Ca 0.18 -0.25 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1buu h LYS 145 Cb 0.21 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1buu h LYS 145 CO -0.01 0.84 0.10 0.00 -2.27 0.00 0.00 179.45 178.11 1buu h ALA 146 N 0.85 0.34 -0.55 5.00 0.00 -0.83 -0.09 119.26 123.97 1buu h ALA 146 Ca 0.10 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1buu h ALA 146 Cb 0.56 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1buu h ALA 146 CO 0.03 -0.30 0.21 0.82 0.00 0.00 0.00 179.25 180.01 1buu h ILE 147 N 0.24 1.23 -0.31 0.00 2.04 -1.13 -2.24 117.51 117.34 1buu h ILE 147 Ca 0.13 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.32 1buu h ILE 147 Cb 0.10 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1buu h ILE 147 CO -0.13 0.27 0.01 -0.61 0.00 0.00 0.00 178.15 177.69 1buu h GLN 148 N 0.75 0.10 -0.22 2.37 4.15 -0.89 0.40 115.11 121.78 1buu h GLN 148 Ca 0.18 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 1buu h GLN 148 Cb 0.22 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1buu h GLN 148 CO -0.01 0.07 -0.03 0.93 -1.93 0.00 0.00 178.83 177.86 1buu h GLU 149 N 0.10 0.33 0.07 1.69 5.08 -0.80 -1.64 114.58 119.42 1buu h GLU 149 Ca 0.15 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.25 1buu h GLU 149 Cb 0.20 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.41 1buu h GLU 149 CO -0.24 0.38 -0.84 0.28 -1.00 0.00 0.00 179.01 177.59 1buu h VAL 150 N 0.32 1.41 -0.12 3.13 2.07 -0.77 -3.36 116.25 118.93 1buu h VAL 150 Ca 0.07 -2.32 -0.02 0.00 0.82 0.00 0.00 66.70 65.25 1buu h VAL 150 Cb 0.26 2.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1buu h VAL 150 CO 0.01 0.68 -0.02 0.00 0.02 0.00 0.00 177.57 178.25 1buu h ALA 151 N 0.24 0.16 0.00 1.67 0.00 -0.83 -3.47 119.26 117.03 1buu h ALA 151 Ca -0.13 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1buu h ALA 151 Cb 1.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1buu h ALA 151 CO 0.16 -0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.93 1buu n LYS 152 N -4.75 0.00 -3.99 0.00 5.02 -0.63 -4.86 118.16 108.95 1buu n LYS 152 Ca -0.06 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.10 1buu n LYS 152 Cb 0.24 -2.78 -0.02 0.00 -0.02 0.00 0.00 35.03 32.45 1buu n LYS 152 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1buu s THR 153 N -2.06 0.00 0.20 -0.18 -1.32 -1.26 -4.88 115.64 106.13 1buu s THR 153 Ca 0.00 -1.39 -0.33 0.00 -1.21 0.00 0.00 61.69 58.77 1buu s THR 153 Cb 0.00 -2.72 -0.13 0.00 -1.51 0.00 0.00 72.50 68.14 1buu s THR 153 CO 0.00 0.00 1.64 -1.54 -2.21 0.00 0.00 174.62 172.51 1buu n SER 154 N -1.41 3.55 -3.96 8.08 3.41 -1.26 -4.68 113.62 117.35 1buu n SER 154 Ca -0.02 1.08 -0.10 0.00 -0.26 0.00 0.00 58.87 59.57 1buu n SER 154 Cb 0.61 -1.51 -0.12 0.00 -0.26 0.00 0.00 64.21 62.93 1buu n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1buu s ALA 155 N 0.91 0.11 0.43 7.33 0.00 -0.92 -1.57 121.76 128.06 1buu s ALA 155 Ca 0.75 -0.46 -0.24 0.00 0.00 0.00 0.00 51.96 52.02 1buu s ALA 155 Cb -0.58 0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.56 1buu s ALA 155 CO 0.37 -0.12 1.13 -0.06 0.00 0.00 0.00 175.76 177.08 1buu s PHE 156 N -1.11 3.02 0.23 0.00 0.08 -1.08 -0.85 117.98 118.27 1buu s PHE 156 Ca -0.12 1.57 0.09 0.00 0.12 0.00 0.00 56.93 58.59 1buu s PHE 156 Cb -0.08 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 39.03 1buu s PHE 156 CO -0.01 -1.21 -0.01 -0.51 -0.10 0.00 0.00 175.22 173.39 1buu s LEU 157 N -2.83 3.23 -0.41 -0.37 1.43 0.06 -4.64 118.68 115.16 1buu s LEU 157 Ca 0.61 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 53.10 1buu s LEU 157 Cb -0.27 -1.81 -0.20 0.00 0.03 0.00 0.00 46.19 43.94 1buu s LEU 157 CO 0.33 0.04 3.14 0.61 0.23 0.00 0.00 176.35 180.70 1buu n GLY 158 N -0.55 3.12 3.14 -3.19 0.00 0.85 -4.61 105.19 103.94 1buu n GLY 158 Ca -0.08 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 1buu n GLY 158 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1buu s ILE 159 N 1.57 0.03 0.18 -0.61 -4.36 -1.26 -1.38 121.20 115.38 1buu s ILE 159 Ca 0.60 -0.27 -0.10 0.00 -0.26 0.00 0.00 60.65 60.63 1buu s ILE 159 Cb 0.25 -0.42 -0.01 0.00 1.25 0.00 0.00 42.46 43.54 1buu s ILE 159 CO -0.02 -0.15 0.33 0.42 0.24 0.00 0.00 174.94 175.77 1buu s THR 160 N -0.54 0.05 -0.20 8.37 -4.23 -0.73 -3.71 115.64 114.65 1buu s THR 160 Ca -0.06 -1.38 0.15 0.00 -1.18 0.00 0.00 61.69 59.21 1buu s THR 160 Cb -0.04 -1.93 0.45 0.00 1.34 0.00 0.00 72.50 72.32 1buu s THR 160 CO 0.01 -0.21 1.18 -0.90 -0.54 0.00 0.00 174.62 174.16 1buu n ASP 161 N -0.26 2.51 -0.31 3.99 5.75 -0.55 -0.92 116.55 126.75 1buu n ASP 161 Ca -0.06 -3.13 -0.03 0.00 -0.01 0.00 0.00 54.79 51.57 1buu n ASP 161 Cb 0.63 -0.42 0.09 0.00 -1.03 0.00 0.00 41.12 40.39 1buu n ASP 161 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1buu h GLU 162 N 1.66 1.08 0.03 0.11 5.08 -1.91 -3.25 114.58 117.38 1buu h GLU 162 Ca 0.04 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1buu h GLU 162 Cb 1.39 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1buu h GLU 162 CO 0.28 0.71 -0.02 0.28 -1.00 0.00 0.00 179.01 179.27 1buu h VAL 163 N 1.11 0.68 -3.75 3.13 2.07 -1.92 -3.44 116.25 114.14 1buu h VAL 163 Ca 0.32 -1.44 -0.67 0.00 0.82 0.00 0.00 66.70 65.73 1buu h VAL 163 Cb -0.07 1.26 -0.38 0.00 -1.52 0.00 0.00 31.29 30.58 1buu h VAL 163 CO -0.09 0.22 -0.73 -0.89 0.02 0.00 0.00 177.57 176.10 1buu s THR 164 N -2.03 2.37 0.17 2.57 2.01 -1.24 -5.09 115.64 114.40 1buu s THR 164 Ca -0.08 -1.99 -0.33 0.00 0.31 0.00 0.00 61.69 59.59 1buu s THR 164 Cb -0.01 -2.59 -0.15 0.00 0.01 0.00 0.00 72.50 69.76 1buu s THR 164 CO 0.29 -0.36 1.34 1.21 -0.69 0.00 0.00 174.62 176.41 1buu n GLU 165 N 4.37 1.57 -0.54 4.92 4.07 -1.23 -1.22 120.64 132.58 1buu n GLU 165 Ca -0.04 0.56 0.00 0.00 -0.06 0.00 0.00 57.16 57.62 1buu n GLU 165 Cb 0.42 -2.18 0.00 0.00 -0.06 0.00 0.00 31.44 29.62 1buu n GLU 165 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1buu n GLY 166 N 2.42 1.92 2.87 8.31 0.00 -1.26 -4.95 105.19 114.50 1buu n GLY 166 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1buu n GLY 166 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1buu s GLN 167 N -0.00 2.00 0.37 1.61 -1.52 -0.36 -4.79 119.66 116.97 1buu s GLN 167 Ca 0.00 -2.77 -0.27 0.00 -1.95 0.00 0.00 55.36 50.37 1buu s GLN 167 Cb 0.00 -3.12 -0.09 0.00 -0.22 0.00 0.00 33.01 29.58 1buu s GLN 167 CO 0.00 -1.19 1.23 -0.06 -0.25 0.00 0.00 175.29 175.02 1buu s PHE 168 N -0.60 3.06 0.08 0.91 0.40 -1.26 -4.61 117.98 115.96 1buu s PHE 168 Ca 0.21 1.50 0.06 0.00 -0.60 0.00 0.00 56.93 58.09 1buu s PHE 168 Cb -0.17 -3.53 -0.03 0.00 0.51 0.00 0.00 43.02 39.80 1buu s PHE 168 CO -0.07 -1.58 -0.15 -1.64 0.70 0.00 0.00 175.22 172.48 1buu s MET 169 N -2.03 0.88 0.48 0.44 -1.94 -0.10 -3.63 119.30 113.40 1buu s MET 169 Ca 0.53 -1.02 -0.22 0.00 -1.71 0.00 0.00 55.69 53.27 1buu s MET 169 Cb -0.35 -0.90 -0.07 0.00 2.01 0.00 0.00 34.83 35.51 1buu s MET 169 CO 0.46 0.20 1.14 0.71 -0.01 0.00 0.00 175.02 177.51 1buu s TYR 170 N -1.39 2.87 0.52 -0.03 2.02 -0.33 -1.78 117.35 119.23 1buu s TYR 170 Ca 0.01 1.55 0.25 0.00 -0.37 0.00 0.00 57.07 58.51 1buu s TYR 170 Cb -0.09 -3.31 1.56 0.00 -0.40 0.00 0.00 41.96 39.72 1buu s TYR 170 CO 0.03 -1.39 2.16 -0.39 -1.57 0.00 0.00 175.55 174.39 1buu h VAL 171 N 1.71 0.67 -0.31 0.71 -1.51 -1.59 0.39 116.25 116.33 1buu h VAL 171 Ca -0.49 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 1buu h VAL 171 Cb 1.25 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1buu h VAL 171 CO 0.59 0.05 0.00 0.35 -1.23 0.00 0.00 177.57 177.34 1buu n THR 172 N -3.94 0.41 0.00 7.19 -2.24 -1.26 -5.01 114.28 109.42 1buu n THR 172 Ca -0.03 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1buu n THR 172 Cb 0.14 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1buu n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1buu n GLY 173 N 1.08 1.84 0.00 3.38 0.00 0.14 -5.16 105.19 106.47 1buu n GLY 173 Ca 0.13 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1buu n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1buu n GLY 174 N 1.81 2.38 3.81 -0.02 0.00 -1.26 -4.32 105.19 107.58 1buu n GLY 174 Ca 0.00 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 1buu n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1buu s ARG 175 N -3.56 3.96 0.35 1.61 1.81 -1.26 -1.19 118.95 120.67 1buu s ARG 175 Ca 0.00 1.27 -0.29 0.00 -1.72 0.00 0.00 55.73 54.99 1buu s ARG 175 Cb 0.00 -2.13 -0.11 0.00 -0.45 0.00 0.00 34.95 32.26 1buu s ARG 175 CO 0.00 -0.28 1.49 1.28 -0.68 0.00 0.00 175.30 177.12 1buu n LEU 176 N -0.85 4.54 -0.02 2.53 4.77 -1.24 -4.86 117.00 121.87 1buu n LEU 176 Ca 0.08 1.21 0.05 0.00 -0.03 0.00 0.00 56.01 57.32 1buu n LEU 176 Cb 0.53 -1.60 -0.06 0.00 -2.33 0.00 0.00 43.42 39.96 1buu n LEU 176 CO 0.39 0.09 -0.01 0.35 -1.33 0.00 0.00 177.39 176.87 1buu n THR 177 N 0.85 0.00 -3.68 -5.08 -2.24 -1.26 -4.98 114.28 97.89 1buu n THR 177 Ca 0.03 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 1buu n THR 177 Cb 0.38 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.53 1buu n THR 177 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1buu s TYR 178 N -2.05 -0.50 0.17 4.78 6.14 -1.26 -5.03 117.35 119.61 1buu s TYR 178 Ca 0.05 1.10 -0.16 0.00 0.64 0.00 0.00 57.07 58.69 1buu s TYR 178 Cb 0.09 0.21 0.03 0.00 0.42 0.00 0.00 41.96 42.70 1buu s TYR 178 CO 0.46 -0.35 0.46 -1.54 0.64 0.00 0.00 175.55 175.23 1buu s SER 179 N -0.30 -0.23 -0.37 4.32 1.04 -1.26 -4.93 113.70 111.97 1buu s SER 179 Ca -0.05 -0.46 0.13 0.00 0.48 0.00 0.00 55.95 56.05 1buu s SER 179 Cb -0.03 0.53 0.40 0.00 0.10 0.00 0.00 66.02 67.02 1buu s SER 179 CO 0.03 -0.98 1.03 -3.20 0.98 0.00 0.00 173.24 171.10 1buu n ASN 180 N -0.29 -0.09 -4.73 7.02 5.15 -1.26 -5.09 115.26 115.96 1buu n ASN 180 Ca -0.12 -2.87 -0.33 0.00 -0.60 0.00 0.00 54.58 50.66 1buu n ASN 180 Cb 0.63 0.20 0.09 0.00 -0.53 0.00 0.00 39.78 40.17 1buu n ASN 180 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1buu s TRP 181 N -1.64 2.21 0.39 1.20 0.52 -1.26 -0.24 118.94 120.12 1buu s TRP 181 Ca 0.28 1.60 0.08 0.00 0.02 0.00 0.00 56.10 58.08 1buu s TRP 181 Cb 0.39 -3.34 0.78 0.00 -1.15 0.00 0.00 33.47 30.15 1buu s TRP 181 CO -0.03 -2.31 1.95 0.87 0.02 0.00 0.00 176.95 177.45 1buu h LYS 182 N -0.43 0.38 0.00 4.98 1.57 -1.66 -3.43 116.57 117.98 1buu h LYS 182 Ca -0.47 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1buu h LYS 182 Cb 1.27 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1buu h LYS 182 CO 0.50 0.40 0.00 1.63 -0.57 0.00 0.00 179.45 181.41 1buu n LYS 183 N -4.34 0.00 -4.65 3.15 5.02 -1.26 -5.08 118.16 111.00 1buu n LYS 183 Ca 0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 1buu n LYS 183 Cb 0.20 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.11 1buu n LYS 183 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1buu s ASP 184 N 1.00 3.91 -0.18 4.39 -4.77 -1.26 -5.05 116.67 114.71 1buu s ASP 184 Ca 0.00 -1.44 -0.28 0.00 -3.30 0.00 0.00 52.55 47.52 1buu s ASP 184 Cb 0.00 -0.16 -0.06 0.00 -1.09 0.00 0.00 42.92 41.61 1buu s ASP 184 CO 0.00 -0.56 2.19 1.21 0.70 0.00 0.00 175.17 178.71 1buu n GLU 185 N -1.04 2.09 -1.95 2.11 2.13 -1.26 -4.87 120.64 117.85 1buu n GLU 185 Ca -0.08 0.61 -0.42 0.00 0.66 0.00 0.00 57.16 57.92 1buu n GLU 185 Cb 0.67 -3.20 -0.03 0.00 0.27 0.00 0.00 31.44 29.15 1buu n GLU 185 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1buu s PRO 186 N 6.09 4.19 -0.23 5.31 0.04 -1.26 -4.96 135.00 144.17 1buu s PRO 186 Ca 0.99 2.29 -0.06 0.00 0.04 0.00 0.00 61.00 64.27 1buu s PRO 186 Cb -0.36 -3.77 -0.02 0.00 0.04 0.00 0.00 34.50 30.39 1buu s PRO 186 CO 0.36 -0.78 0.02 1.21 0.04 0.00 0.00 177.00 177.86 1buu s ASN 187 N 2.85 4.82 0.00 6.66 3.84 -1.26 -4.00 114.94 127.85 1buu s ASN 187 Ca 0.74 -0.26 0.29 0.00 0.21 0.00 0.00 52.86 53.84 1buu s ASN 187 Cb -0.37 -1.85 1.30 0.00 -0.55 0.00 0.00 41.25 39.77 1buu s ASN 187 CO 0.32 -0.01 1.89 -0.90 -2.79 0.00 0.00 177.10 175.60 1buu n ASP 188 N 4.76 0.85 -3.00 -4.21 5.68 -1.26 -4.94 116.55 114.43 1buu n ASP 188 Ca -0.17 -1.13 -0.19 0.00 -0.50 0.00 0.00 54.79 52.80 1buu n ASP 188 Cb 0.51 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1buu n ASP 188 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1buu n HIS 189 N -0.43 -1.69 0.00 2.11 8.25 -1.26 -2.71 115.22 119.49 1buu n HIS 189 Ca 0.19 0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 1buu n HIS 189 Cb 0.27 -3.07 0.00 0.00 1.12 0.00 0.00 29.99 28.31 1buu n HIS 189 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1buu n GLY 190 N -1.09 1.05 0.00 -1.41 0.00 -1.26 -4.97 105.19 97.51 1buu n GLY 190 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1buu n GLY 190 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1buu n SER 191 N 0.00 0.00 -0.76 1.61 3.41 -1.10 -4.94 113.62 111.84 1buu n SER 191 Ca 0.00 -0.10 -0.09 0.00 -0.26 0.00 0.00 58.87 58.42 1buu n SER 191 Cb 0.00 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 1buu n SER 191 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1buu n GLY 192 N 1.01 0.84 3.52 5.00 0.00 -1.26 -4.97 105.19 109.33 1buu n GLY 192 Ca 0.13 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1buu n GLY 192 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1buu s GLU 193 N -3.13 3.19 0.00 1.61 8.01 -1.26 -4.72 118.70 122.40 1buu s GLU 193 Ca 0.00 -0.46 0.12 0.00 0.01 0.00 0.00 54.97 54.64 1buu s GLU 193 Cb 0.00 -4.25 0.12 0.00 -4.31 0.00 0.00 34.13 25.70 1buu s GLU 193 CO 0.00 -2.05 0.93 -0.25 0.01 0.00 0.00 175.26 173.90 1buu n ASP 194 N 8.85 2.12 -4.91 -0.19 8.00 -1.12 -4.44 116.55 124.86 1buu n ASP 194 Ca 0.02 -1.56 -0.25 0.00 0.71 0.00 0.00 54.79 53.72 1buu n ASP 194 Cb 0.48 -0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1buu n ASP 194 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1buu s VAL 196 N -2.71 0.37 0.06 0.00 1.01 -1.24 -0.75 120.40 117.13 1buu s VAL 196 Ca 0.40 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.35 1buu s VAL 196 Cb -0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 1buu s VAL 196 CO 0.25 0.15 -0.24 0.42 0.00 0.00 0.00 175.10 175.67 1buu s THR 197 N 0.40 1.98 -0.19 3.92 -4.23 -0.88 -0.76 115.64 115.88 1buu s THR 197 Ca -0.04 -1.40 -0.08 0.00 -1.18 0.00 0.00 61.69 58.99 1buu s THR 197 Cb -0.08 -1.72 -0.04 0.00 1.34 0.00 0.00 72.50 72.01 1buu s THR 197 CO -0.00 0.24 0.07 -0.51 -0.54 0.00 0.00 174.62 173.87 1buu s ILE 198 N -0.87 4.81 0.52 2.99 2.07 -0.03 -2.32 121.20 128.37 1buu s ILE 198 Ca 0.10 -0.03 0.04 0.00 -1.41 0.00 0.00 60.65 59.36 1buu s ILE 198 Cb -0.10 -3.17 0.04 0.00 0.13 0.00 0.00 42.46 39.36 1buu s ILE 198 CO 0.03 0.45 0.72 0.68 -1.91 0.00 0.00 174.94 174.91 1buu s VAL 199 N 0.46 2.71 0.50 4.00 -7.23 -0.46 -2.17 120.40 118.20 1buu s VAL 199 Ca 0.03 -0.79 0.38 0.00 -1.81 0.00 0.00 61.98 59.80 1buu s VAL 199 Cb -0.12 -2.92 0.59 0.00 0.56 0.00 0.00 36.38 34.48 1buu s VAL 199 CO 0.00 0.00 1.65 -2.24 -0.31 0.00 0.00 175.10 174.20 1buu h ASP 200 N 0.22 0.12 -0.18 4.85 3.04 -1.90 0.58 116.42 123.15 1buu h ASP 200 Ca -0.40 0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 1buu h ASP 200 Cb 1.29 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.63 1buu h ASP 200 CO 0.48 -0.07 0.00 -0.46 -2.04 0.00 0.00 179.24 177.15 1buu n ASN 201 N -4.32 1.77 0.00 4.15 0.23 -1.26 -4.93 115.26 110.90 1buu n ASN 201 Ca 0.37 -1.73 0.00 0.00 -0.53 0.00 0.00 54.58 52.69 1buu n ASN 201 Cb 1.58 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 39.17 1buu n ASN 201 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1buu n GLY 202 N 1.15 1.98 3.81 4.83 0.00 0.20 -5.04 105.19 112.12 1buu n GLY 202 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1buu n GLY 202 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1buu s LEU 203 N 0.00 3.53 0.03 0.99 1.43 -1.26 -4.69 118.68 118.72 1buu s LEU 203 Ca 0.00 1.77 0.02 0.00 -1.03 0.00 0.00 54.13 54.88 1buu s LEU 203 Cb 0.00 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 1buu s LEU 203 CO 0.00 -1.03 0.06 0.26 0.23 0.00 0.00 176.35 175.87 1buu s TRP 204 N -2.48 3.20 -0.08 0.29 0.52 0.67 -1.36 118.94 119.71 1buu s TRP 204 Ca 0.63 0.12 -0.12 0.00 0.02 0.00 0.00 56.10 56.75 1buu s TRP 204 Cb -0.15 -1.67 0.03 0.00 -1.15 0.00 0.00 33.47 30.53 1buu s TRP 204 CO 0.35 0.52 0.30 0.54 0.02 0.00 0.00 176.95 178.69 1buu s ASN 205 N -2.00 -0.27 0.49 2.95 2.20 -0.98 -1.61 114.94 115.71 1buu s ASN 205 Ca 0.25 0.43 -0.20 0.00 -0.94 0.00 0.00 52.86 52.40 1buu s ASN 205 Cb -0.12 0.52 -0.08 0.00 -2.00 0.00 0.00 41.25 39.57 1buu s ASN 205 CO 0.17 -0.22 1.02 1.51 -2.94 0.00 0.00 177.10 176.64 1buu s ASP 206 N -0.36 6.40 0.24 3.54 -4.77 -1.26 -2.08 116.67 118.39 1buu s ASP 206 Ca -0.05 1.87 -0.17 0.00 -3.30 0.00 0.00 52.55 50.90 1buu s ASP 206 Cb -0.03 -2.55 0.02 0.00 -1.09 0.00 0.00 42.92 39.26 1buu s ASP 206 CO 0.02 -0.74 0.57 -0.51 0.70 0.00 0.00 175.17 175.21 1buu s ILE 207 N -2.07 0.01 0.13 2.11 1.10 0.07 -4.90 121.20 117.65 1buu s ILE 207 Ca 0.66 -1.04 -0.31 0.00 -0.51 0.00 0.00 60.65 59.44 1buu s ILE 207 Cb -0.15 -1.91 -0.08 0.00 0.15 0.00 0.00 42.46 40.47 1buu s ILE 207 CO 0.21 -0.04 1.41 -0.55 -2.11 0.00 0.00 174.94 173.86 1buu s SER 208 N -2.93 6.79 0.38 4.50 0.15 -1.26 -1.08 113.70 120.24 1buu s SER 208 Ca 0.14 2.39 0.27 0.00 0.70 0.00 0.00 55.95 59.45 1buu s SER 208 Cb -0.02 -2.59 1.33 0.00 -1.71 0.00 0.00 66.02 63.02 1buu s SER 208 CO 0.04 -0.67 1.82 0.00 1.20 0.00 0.00 173.24 175.63 1buu h GLN 210 N 0.00 0.00 -7.25 0.00 1.08 -1.96 -1.45 115.11 105.52 1buu h GLN 210 Ca 0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 1buu h GLN 210 Cb 0.16 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 27.71 1buu h GLN 210 CO 0.00 0.00 0.34 0.00 -0.95 0.00 0.00 178.83 178.22 1buu s ALA 211 N -3.19 2.34 -0.29 3.87 0.00 -0.61 -4.64 121.76 119.25 1buu s ALA 211 Ca 0.07 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.34 1buu s ALA 211 Cb 0.11 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1buu s ALA 211 CO 0.68 -1.55 0.19 -1.12 0.00 0.00 0.00 175.76 173.96 1buu s SER 212 N -2.95 5.96 0.24 0.00 0.01 -1.26 -3.81 113.70 111.88 1buu s SER 212 Ca 0.64 -0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.81 1buu s SER 212 Cb -0.19 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 1buu s SER 212 CO 0.49 -0.09 0.04 -1.00 0.41 0.00 0.00 173.24 173.08 1buu s HIS 213 N 1.74 1.53 0.24 2.43 3.76 -0.72 -4.57 115.29 119.70 1buu s HIS 213 Ca 0.07 -1.03 -0.31 0.00 -0.15 0.00 0.00 55.06 53.64 1buu s HIS 213 Cb -0.16 -0.90 -0.11 0.00 1.11 0.00 0.00 32.58 32.52 1buu s HIS 213 CO 0.10 -0.16 1.60 0.99 -0.85 0.00 0.00 174.74 176.42 1buu s THR 214 N -3.56 2.26 -0.30 1.30 2.01 -0.61 -1.04 115.64 115.71 1buu s THR 214 Ca 0.31 0.20 -0.24 0.00 0.31 0.00 0.00 61.69 62.28 1buu s THR 214 Cb 0.07 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.45 1buu s THR 214 CO 0.10 0.02 0.81 0.00 -0.69 0.00 0.00 174.62 174.86 1buu s ALA 215 N 0.56 3.54 -0.12 7.40 0.00 -0.45 -2.63 121.76 130.05 1buu s ALA 215 Ca 0.67 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.26 1buu s ALA 215 Cb -0.47 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.36 1buu s ALA 215 CO 0.39 -1.19 -0.12 0.08 0.00 0.00 0.00 175.76 174.92 1buu s VAL 216 N 2.98 1.31 0.10 0.00 1.01 -1.26 -4.06 120.40 120.48 1buu s VAL 216 Ca 0.33 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1buu s VAL 216 Cb -0.14 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1buu s VAL 216 CO 0.12 0.41 0.06 0.00 0.00 0.00 0.00 175.10 175.69 1buu s GLU 218 N -2.47 1.63 0.05 0.00 -1.05 0.69 -0.93 118.70 116.63 1buu s GLU 218 Ca 0.28 -1.31 0.05 0.00 -0.15 0.00 0.00 54.97 53.85 1buu s GLU 218 Cb -0.12 -2.00 -0.02 0.00 -0.44 0.00 0.00 34.13 31.55 1buu s GLU 218 CO 0.21 0.45 -0.15 -0.06 0.95 0.00 0.00 175.26 176.65 1buu s PHE 219 N -1.26 1.34 0.78 4.83 0.08 -0.30 -2.16 117.98 121.29 1buu s PHE 219 Ca 0.18 -0.39 -0.15 0.00 0.12 0.00 0.00 56.93 56.69 1buu s PHE 219 Cb -0.10 -0.78 0.01 0.00 -0.57 0.00 0.00 43.02 41.58 1buu s PHE 219 CO 0.09 0.06 0.77 -2.30 -0.10 0.00 0.00 175.22 173.74 1buu n PRO 220 N 1.68 0.24 0.00 0.24 -0.02 -1.26 -1.72 135.00 134.15 1buu n PRO 220 Ca -0.19 0.13 0.07 0.00 -2.02 0.00 0.00 63.50 61.50 1buu n PRO 220 Cb 0.54 -2.06 0.42 0.00 -0.02 0.00 0.00 33.50 32.38 1buu n PRO 220 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48