#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afb h ILE 74 N 0.00 0.98 -0.06 0.00 2.10 -2.05 -1.23 117.51 117.25 1afb h ILE 74 Ca 0.00 -0.33 -0.19 0.00 1.08 0.00 0.00 64.86 65.42 1afb h ILE 74 Cb 0.00 -0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 35.64 1afb h ILE 74 CO 0.00 0.18 -0.76 -0.33 -1.08 0.00 0.00 178.15 176.16 1afb h GLU 75 N 0.97 0.37 -0.58 2.19 5.08 -2.05 -1.73 114.58 118.83 1afb h GLU 75 Ca 0.43 -0.32 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 1afb h GLU 75 Cb 0.32 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1afb h GLU 75 CO -0.22 0.97 -0.03 0.28 -1.00 0.00 0.00 179.01 179.01 1afb h VAL 76 N 0.24 1.26 -0.64 3.13 2.07 -1.88 -0.40 116.25 120.03 1afb h VAL 76 Ca -0.04 -1.18 -0.08 0.00 0.82 0.00 0.00 66.70 66.23 1afb h VAL 76 Cb 1.35 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1afb h VAL 76 CO 0.13 0.42 0.09 0.11 0.02 0.00 0.00 177.57 178.34 1afb h LYS 77 N 0.94 1.07 -0.61 1.57 1.57 -1.11 0.66 116.57 120.67 1afb h LYS 77 Ca 0.16 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 1afb h LYS 77 Cb 0.59 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1afb h LYS 77 CO 0.04 0.99 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.83 1afb h LEU 78 N 0.98 1.06 -0.60 2.94 3.38 -1.05 -0.35 115.31 121.67 1afb h LEU 78 Ca 0.19 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1afb h LEU 78 Cb 0.45 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1afb h LEU 78 CO 0.02 1.11 0.14 0.00 0.09 0.00 0.00 178.44 179.79 1afb h ALA 79 N 0.99 0.79 -0.46 1.53 0.00 -0.67 -1.19 119.26 120.26 1afb h ALA 79 Ca 0.17 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1afb h ALA 79 Cb 0.57 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1afb h ALA 79 CO 0.03 0.51 -0.09 -0.97 0.00 0.00 0.00 179.25 178.74 1afb h ASN 80 N 0.88 0.81 -0.65 0.00 -1.24 -0.63 -2.41 115.58 112.34 1afb h ASN 80 Ca 0.19 -0.24 -0.06 0.00 0.71 0.00 0.00 56.30 56.90 1afb h ASN 80 Cb 0.36 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 1afb h ASN 80 CO 0.00 0.93 0.19 -0.03 -1.29 0.00 0.00 177.43 177.23 1afb h MET 81 N 0.75 1.05 -0.70 6.67 4.05 -0.67 0.15 114.93 126.23 1afb h MET 81 Ca 0.13 -0.23 -0.05 0.00 -0.28 0.00 0.00 59.70 59.28 1afb h MET 81 Cb 0.58 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 1afb h MET 81 CO 0.04 0.91 0.26 0.93 0.23 0.00 0.00 176.91 179.28 1afb h GLU 82 N 1.01 1.06 -0.63 0.39 5.08 -1.05 -0.47 114.58 119.97 1afb h GLU 82 Ca 0.22 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1afb h GLU 82 Cb 0.31 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1afb h GLU 82 CO -0.00 0.89 0.12 0.00 -1.00 0.00 0.00 179.01 179.02 1afb h ALA 83 N 1.12 0.83 -0.20 3.43 0.00 -0.91 -1.19 119.26 122.34 1afb h ALA 83 Ca 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1afb h ALA 83 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1afb h ALA 83 CO -0.02 0.57 0.08 0.93 0.00 0.00 0.00 179.25 180.82 1afb h GLU 84 N 0.94 0.30 -0.64 0.00 4.39 -0.32 -1.49 114.58 117.76 1afb h GLU 84 Ca 0.19 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1afb h GLU 84 Cb 0.40 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1afb h GLU 84 CO 0.01 0.37 0.39 0.82 -1.16 0.00 0.00 179.01 179.44 1afb h ILE 85 N 0.18 1.18 -0.56 3.13 2.04 -1.00 -1.43 117.51 121.05 1afb h ILE 85 Ca 0.07 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 1afb h ILE 85 Cb 0.17 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1afb h ILE 85 CO -0.01 0.19 0.05 0.78 0.00 0.00 0.00 178.15 179.16 1afb h ASN 86 N 0.87 0.90 -0.14 1.72 2.35 -1.07 -0.69 115.58 119.51 1afb h ASN 86 Ca 0.23 -0.22 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 1afb h ASN 86 Cb -0.04 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 1afb h ASN 86 CO -0.04 0.93 -0.25 0.71 -1.65 0.00 0.00 177.43 177.12 1afb h THR 87 N 0.87 1.27 -0.49 2.81 1.35 -1.02 -0.99 112.91 116.72 1afb h THR 87 Ca 0.17 -1.32 -0.10 0.00 -0.55 0.00 0.00 66.41 64.61 1afb h THR 87 Cb 0.45 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 68.17 1afb h THR 87 CO 0.02 0.43 -0.07 0.25 -0.25 0.00 0.00 175.52 175.90 1afb h LEU 88 N 0.52 0.90 -0.48 3.87 5.85 -0.89 -0.58 115.31 124.51 1afb h LEU 88 Ca 0.07 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1afb h LEU 88 Cb 0.71 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1afb h LEU 88 CO 0.05 1.03 0.23 0.11 -0.34 0.00 0.00 178.44 179.53 1afb h LYS 89 N 0.76 0.70 -0.37 1.25 1.57 -0.83 -0.65 116.57 118.99 1afb h LYS 89 Ca 0.13 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1afb h LYS 89 Cb 0.61 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1afb h LYS 89 CO 0.04 0.59 0.21 1.03 -0.57 0.00 0.00 179.45 180.75 1afb h SER 90 N 0.64 0.46 -0.67 0.86 0.87 -0.98 -1.65 113.55 113.08 1afb h SER 90 Ca 0.17 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 1afb h SER 90 Cb 0.12 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1afb h SER 90 CO -0.02 0.41 0.09 0.11 -0.53 0.00 0.00 176.83 176.88 1afb h LYS 91 N 0.48 1.12 -0.63 2.24 1.57 -0.93 -2.02 116.57 118.40 1afb h LYS 91 Ca 0.13 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 1afb h LYS 91 Cb 0.04 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1afb h LYS 91 CO -0.02 1.03 0.14 1.25 -0.57 0.00 0.00 179.45 181.28 1afb h LEU 92 N 1.04 0.93 -0.75 2.94 5.85 -0.95 0.87 115.31 125.24 1afb h LEU 92 Ca 0.20 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1afb h LEU 92 Cb 0.47 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1afb h LEU 92 CO 0.02 0.91 0.37 -0.08 -0.34 0.00 0.00 178.44 179.31 1afb h GLU 93 N 0.94 1.09 -0.52 1.25 4.57 -1.09 0.13 114.58 120.95 1afb h GLU 93 Ca 0.20 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 58.16 1afb h GLU 93 Cb 0.35 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1afb h GLU 93 CO 0.00 0.84 0.07 1.25 -1.18 0.00 0.00 179.01 180.00 1afb h LEU 94 N 1.06 0.83 -0.73 1.64 5.85 -0.76 -0.86 115.31 122.34 1afb h LEU 94 Ca 0.26 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1afb h LEU 94 Cb 0.11 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1afb h LEU 94 CO -0.03 0.89 0.47 0.74 -0.34 0.00 0.00 178.44 180.17 1afb h THR 95 N 0.74 1.13 -0.61 1.05 2.02 -0.19 -0.63 112.91 116.43 1afb h THR 95 Ca 0.16 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 66.93 1afb h THR 95 Cb 0.42 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1afb h THR 95 CO 0.01 0.17 0.05 0.78 0.37 0.00 0.00 175.52 176.90 1afb h ASN 96 N 0.93 1.00 -0.23 4.18 -0.26 -0.34 -0.23 115.58 120.63 1afb h ASN 96 Ca 0.28 -0.25 -0.02 0.00 -0.56 0.00 0.00 56.30 55.75 1afb h ASN 96 Cb -0.03 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 36.95 1afb h ASN 96 CO -0.09 1.02 0.06 0.11 -1.06 0.00 0.00 177.43 177.47 1afb h LYS 97 N 0.96 0.37 -0.69 0.81 1.57 -0.71 -1.59 116.57 117.28 1afb h LYS 97 Ca 0.18 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1afb h LYS 97 Cb 0.48 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1afb h LYS 97 CO 0.02 0.48 0.28 1.25 -0.57 0.00 0.00 179.45 180.91 1afb h LEU 98 N 0.20 0.94 -0.29 2.94 5.85 -0.98 -1.68 115.31 122.28 1afb h LEU 98 Ca 0.07 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1afb h LEU 98 Cb 0.27 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1afb h LEU 98 CO 0.00 0.85 0.18 0.45 -0.34 0.00 0.00 178.44 179.58 1afb h HIS 99 N 0.97 0.39 -0.62 1.25 3.86 -0.88 -0.20 115.15 119.92 1afb h HIS 99 Ca 0.23 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1afb h HIS 99 Cb 0.20 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1afb h HIS 99 CO 0.01 0.28 0.35 0.00 0.86 0.00 0.00 177.93 179.44 1afb h ALA 100 N 1.07 0.79 -0.05 2.45 0.00 -1.16 -0.54 119.26 121.83 1afb h ALA 100 Ca 0.11 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1afb h ALA 100 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1afb h ALA 100 CO -0.02 0.30 -0.02 0.35 0.00 0.00 0.00 179.25 179.86 1afb h PHE 101 N 0.84 -0.05 0.00 0.00 3.57 -1.07 -0.06 116.94 120.17 1afb h PHE 101 Ca 0.22 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1afb h PHE 101 Cb 0.02 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1afb h PHE 101 CO -0.01 -0.04 -0.06 0.66 -2.23 0.00 0.00 178.31 176.63 1afb h SER 102 N -0.02 0.00 -0.45 0.41 4.64 -0.62 -0.78 113.55 116.74 1afb h SER 102 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1afb h SER 102 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1afb h SER 102 CO -0.06 0.06 0.00 0.23 -0.87 0.00 0.00 176.83 176.19 1afb n MET 103 N -3.57 2.58 -0.51 4.77 2.81 -0.25 -4.92 117.12 118.03 1afb n MET 103 Ca -0.02 -1.84 0.00 0.00 -1.81 0.00 0.00 57.70 54.03 1afb n MET 103 Cb 0.17 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 1afb n MET 103 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1afb n GLY 104 N 0.99 0.74 3.68 3.03 0.00 -0.30 -4.93 105.19 108.40 1afb n GLY 104 Ca 0.17 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1afb n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1afb s LYS 105 N -0.54 4.18 0.22 1.61 2.20 -0.13 -4.96 119.74 122.32 1afb s LYS 105 Ca 0.00 2.36 -0.16 0.00 -0.36 0.00 0.00 55.97 57.81 1afb s LYS 105 Cb 0.00 -3.79 -0.08 0.00 -1.51 0.00 0.00 37.83 32.45 1afb s LYS 105 CO 0.00 -0.81 0.66 0.15 -0.36 0.00 0.00 175.35 175.00 1afb s LYS 106 N 3.30 4.09 -0.27 4.03 -0.14 -1.26 -4.64 119.74 124.84 1afb s LYS 106 Ca 0.77 0.67 -0.38 0.00 -1.36 0.00 0.00 55.97 55.67 1afb s LYS 106 Cb -0.39 -2.79 -0.14 0.00 -1.68 0.00 0.00 37.83 32.84 1afb s LYS 106 CO 0.33 0.36 1.91 0.43 -0.76 0.00 0.00 175.35 177.62 1afb n SER 107 N 0.46 2.47 0.00 2.83 7.64 -1.26 -1.21 113.62 124.54 1afb n SER 107 Ca -0.02 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.73 1afb n SER 107 Cb 0.52 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1afb n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1afb n GLY 108 N 4.99 0.32 3.72 0.23 0.00 -1.26 -5.01 105.19 108.18 1afb n GLY 108 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 1afb n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1afb s LYS 109 N -0.79 2.66 0.65 1.61 -0.14 -0.35 -4.80 119.74 118.58 1afb s LYS 109 Ca 0.00 -0.80 -0.15 0.00 -1.36 0.00 0.00 55.97 53.66 1afb s LYS 109 Cb 0.00 -2.60 -0.00 0.00 -1.68 0.00 0.00 37.83 33.55 1afb s LYS 109 CO 0.00 0.54 1.11 -1.59 -0.76 0.00 0.00 175.35 174.65 1afb s LYS 110 N -2.38 2.85 0.07 1.68 -2.85 -1.26 -4.27 119.74 113.58 1afb s LYS 110 Ca 0.27 1.37 0.07 0.00 -1.00 0.00 0.00 55.97 56.68 1afb s LYS 110 Cb -0.12 -1.96 -0.03 0.00 -2.06 0.00 0.00 37.83 33.67 1afb s LYS 110 CO 0.20 -1.21 -0.19 -0.59 0.10 0.00 0.00 175.35 173.66 1afb s PHE 111 N -2.36 1.65 -0.05 1.78 -0.71 -0.41 -4.76 117.98 113.13 1afb s PHE 111 Ca 0.67 -0.40 0.02 0.00 -1.04 0.00 0.00 56.93 56.18 1afb s PHE 111 Cb -0.20 -0.95 -0.03 0.00 -1.21 0.00 0.00 43.02 40.64 1afb s PHE 111 CO 0.41 0.12 -0.09 -0.06 -1.34 0.00 0.00 175.22 174.27 1afb s PHE 112 N -1.00 2.86 0.01 3.49 0.08 -1.26 -0.99 117.98 121.17 1afb s PHE 112 Ca 0.05 -0.04 -0.01 0.00 0.12 0.00 0.00 56.93 57.05 1afb s PHE 112 Cb -0.09 -1.67 -0.01 0.00 -0.57 0.00 0.00 43.02 40.68 1afb s PHE 112 CO 0.03 0.30 0.00 0.08 -0.10 0.00 0.00 175.22 175.53 1afb s VAL 113 N -0.82 0.10 0.04 -0.44 1.01 -0.29 -4.98 120.40 115.01 1afb s VAL 113 Ca 0.13 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 1afb s VAL 113 Cb -0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 1afb s VAL 113 CO 0.02 -0.43 0.13 0.28 0.00 0.00 0.00 175.10 175.10 1afb s THR 114 N -1.31 0.12 -1.96 3.92 -1.32 -1.26 -0.76 115.64 113.07 1afb s THR 114 Ca -0.14 -1.01 0.18 0.00 -1.21 0.00 0.00 61.69 59.51 1afb s THR 114 Cb -0.09 -0.89 0.32 0.00 -1.51 0.00 0.00 72.50 70.33 1afb s THR 114 CO -0.00 -0.56 1.24 -0.46 -2.21 0.00 0.00 174.62 172.63 1afb n ASN 115 N 0.75 3.01 -1.21 8.08 6.94 -1.26 -4.97 115.26 126.60 1afb n ASN 115 Ca -0.19 -1.88 -0.15 0.00 -0.02 0.00 0.00 54.58 52.34 1afb n ASN 115 Cb 0.59 -0.18 -0.06 0.00 -2.36 0.00 0.00 39.78 37.77 1afb n ASN 115 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1afb n HIS 116 N 1.11 -0.09 -3.66 -2.53 8.25 -1.26 -5.00 115.22 112.05 1afb n HIS 116 Ca 0.15 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.27 1afb n HIS 116 Cb 0.50 -2.69 -0.05 0.00 1.12 0.00 0.00 29.99 28.87 1afb n HIS 116 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1afb s GLU 117 N -3.44 3.67 -0.10 -0.41 2.12 -1.26 -4.95 118.70 114.32 1afb s GLU 117 Ca 0.00 0.02 -0.02 0.00 0.36 0.00 0.00 54.97 55.33 1afb s GLU 117 Cb 0.00 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.39 1afb s GLU 117 CO 0.00 0.55 -0.01 1.03 -0.54 0.00 0.00 175.26 176.29 1afb s ARG 118 N -2.11 3.10 0.13 4.30 0.52 -1.26 -1.60 118.95 122.04 1afb s ARG 118 Ca 0.34 -0.45 -0.24 0.00 -0.52 0.00 0.00 55.73 54.86 1afb s ARG 118 Cb -0.13 -2.80 0.07 0.00 0.52 0.00 0.00 34.95 32.61 1afb s ARG 118 CO 0.20 0.61 0.74 0.00 0.02 0.00 0.00 175.30 176.86 1afb s MET 119 N -0.62 1.23 0.85 3.54 0.23 -0.45 -4.75 119.30 119.33 1afb s MET 119 Ca 0.10 -0.53 -0.11 0.00 -1.03 0.00 0.00 55.69 54.12 1afb s MET 119 Cb -0.12 0.52 0.11 0.00 -1.53 0.00 0.00 34.83 33.81 1afb s MET 119 CO 0.02 -0.55 1.15 -2.14 -2.03 0.00 0.00 175.02 171.47 1afb s PRO 120 N -3.56 1.47 0.23 3.16 0.02 -1.24 -2.00 135.00 133.09 1afb s PRO 120 Ca 0.05 1.51 -0.06 0.00 0.02 0.00 0.00 61.00 62.52 1afb s PRO 120 Cb -0.02 -1.78 0.38 0.00 0.02 0.00 0.00 34.50 33.10 1afb s PRO 120 CO -0.07 -2.29 1.76 0.35 -0.33 0.00 0.00 177.00 176.42 1afb h PHE 121 N -1.43 0.58 -0.35 6.54 3.57 -1.44 -1.41 116.94 122.99 1afb h PHE 121 Ca -0.44 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.14 1afb h PHE 121 Cb 1.27 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 1afb h PHE 121 CO 0.51 0.16 0.24 0.66 -2.23 0.00 0.00 178.31 177.65 1afb h SER 122 N 0.53 0.23 -0.07 0.41 4.64 -1.92 -0.80 113.55 116.58 1afb h SER 122 Ca 0.37 -0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.49 1afb h SER 122 Cb 0.47 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1afb h SER 122 CO -0.32 0.16 -0.74 0.11 -0.87 0.00 0.00 176.83 175.17 1afb h LYS 123 N 0.27 0.62 -0.15 4.77 1.79 -1.62 -1.93 116.57 120.31 1afb h LYS 123 Ca 0.15 -0.58 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1afb h LYS 123 Cb 0.26 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 1afb h LYS 123 CO -0.03 1.19 0.10 0.28 -1.08 0.00 0.00 179.45 179.91 1afb h VAL 124 N 0.26 1.04 -0.16 0.50 2.07 -1.00 0.71 116.25 119.66 1afb h VAL 124 Ca -0.07 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.41 1afb h VAL 124 Cb 1.40 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1afb h VAL 124 CO 0.15 0.04 -0.07 0.11 0.02 0.00 0.00 177.57 177.82 1afb h LYS 125 N 0.21 -0.04 -0.64 1.57 1.57 -1.18 0.96 116.57 119.01 1afb h LYS 125 Ca 0.06 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1afb h LYS 125 Cb -0.02 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1afb h LYS 125 CO -0.01 -0.03 0.41 0.00 -0.57 0.00 0.00 179.45 179.25 1afb h ALA 126 N 1.11 0.82 0.57 3.86 0.00 -1.17 -0.60 119.26 123.86 1afb h ALA 126 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1afb h ALA 126 Cb 0.17 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1afb h ALA 126 CO -0.19 0.20 -0.27 1.25 0.00 0.00 0.00 179.25 180.23 1afb h LEU 127 N 0.82 -0.65 -1.52 0.00 6.46 -0.31 -0.88 115.31 119.23 1afb h LEU 127 Ca 0.25 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.98 1afb h LEU 127 Cb -0.04 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 1afb h LEU 127 CO -0.08 -0.38 0.24 0.00 -0.62 0.00 0.00 178.44 177.61 1afb h SER 129 N 0.58 0.96 -0.04 0.00 0.87 -0.94 0.17 113.55 115.15 1afb h SER 129 Ca 0.15 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 1afb h SER 129 Cb -0.01 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 1afb h SER 129 CO -0.03 0.91 -0.06 -0.08 -0.53 0.00 0.00 176.83 177.05 1afb h GLU 130 N 0.97 0.24 -0.10 2.24 4.81 0.02 -0.93 114.58 121.82 1afb h GLU 130 Ca 0.22 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1afb h GLU 130 Cb 0.29 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1afb h GLU 130 CO -0.01 0.32 0.00 1.28 -0.73 0.00 0.00 179.01 179.87 1afb n LEU 131 N -4.34 1.06 -3.20 1.64 4.77 -0.74 -4.89 117.00 111.30 1afb n LEU 131 Ca -0.01 -0.44 -0.21 0.00 -0.03 0.00 0.00 56.01 55.33 1afb n LEU 131 Cb 0.21 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1afb n LEU 131 CO 0.37 0.22 0.21 0.54 -1.33 0.00 0.00 177.39 177.40 1afb n ARG 132 N -0.08 -6.93 -0.92 3.23 1.74 -0.35 -5.01 116.66 108.33 1afb n ARG 132 Ca 0.16 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.97 1afb n ARG 132 Cb 0.24 -5.47 0.00 0.00 -1.02 0.00 0.00 32.46 26.21 1afb n ARG 132 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1afb n GLY 133 N -1.82 5.52 3.17 -0.13 0.00 0.54 -4.97 105.19 107.49 1afb n GLY 133 Ca 0.01 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 1afb n GLY 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1afb s THR 134 N -0.58 0.12 0.21 2.61 -4.23 -0.84 -3.88 115.64 109.05 1afb s THR 134 Ca 0.00 -1.80 -0.30 0.00 -1.18 0.00 0.00 61.69 58.41 1afb s THR 134 Cb 0.00 -1.90 -0.09 0.00 1.34 0.00 0.00 72.50 71.84 1afb s THR 134 CO 0.00 -0.54 1.37 -0.69 -0.54 0.00 0.00 174.62 174.22 1afb s VAL 135 N -4.01 2.97 0.19 2.29 1.01 -1.26 -0.26 120.40 121.33 1afb s VAL 135 Ca 0.20 0.80 -0.32 0.00 0.00 0.00 0.00 61.98 62.65 1afb s VAL 135 Cb 0.07 -3.51 -0.15 0.00 0.00 0.00 0.00 36.38 32.79 1afb s VAL 135 CO -0.01 0.12 1.16 0.00 0.00 0.00 0.00 175.10 176.37 1afb n ALA 136 N 2.60 -0.58 -3.71 5.51 0.00 -0.61 -3.74 120.51 119.98 1afb n ALA 136 Ca 0.07 0.45 -0.25 0.00 0.00 0.00 0.00 53.44 53.71 1afb n ALA 136 Cb 0.42 -2.04 -0.17 0.00 0.00 0.00 0.00 19.45 17.65 1afb n ALA 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1afb s ILE 137 N -0.27 0.24 -0.00 0.00 1.01 -1.26 -0.19 121.20 120.73 1afb s ILE 137 Ca 0.71 -0.10 -0.24 0.00 0.00 0.00 0.00 60.65 61.02 1afb s ILE 137 Cb -0.82 -0.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 1afb s ILE 137 CO 0.53 -0.02 0.74 -2.16 0.00 0.00 0.00 174.94 174.03 1afb s PRO 138 N 2.01 4.46 0.00 2.79 0.04 -1.26 -4.94 135.00 138.10 1afb s PRO 138 Ca 0.03 0.99 0.14 0.00 0.04 0.00 0.00 61.00 62.19 1afb s PRO 138 Cb -0.15 -3.40 0.02 0.00 0.04 0.00 0.00 34.50 31.02 1afb s PRO 138 CO -0.07 0.19 0.79 0.54 0.04 0.00 0.00 177.00 178.50 1afb n ARG 139 N 3.23 1.67 -3.82 4.56 5.12 -1.26 -4.86 116.66 121.31 1afb n ARG 139 Ca -0.02 -0.84 -0.05 0.00 -1.93 0.00 0.00 57.85 55.01 1afb n ARG 139 Cb 0.51 -1.21 0.00 0.00 -1.16 0.00 0.00 32.46 30.60 1afb n ARG 139 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1afb s ASN 140 N -1.56 -0.11 0.24 0.55 2.20 -1.26 -4.66 114.94 110.35 1afb s ASN 140 Ca 0.12 -0.66 -0.05 0.00 -0.94 0.00 0.00 52.86 51.33 1afb s ASN 140 Cb 0.11 0.61 0.40 0.00 -2.00 0.00 0.00 41.25 40.37 1afb s ASN 140 CO 0.30 -1.17 1.78 0.00 -2.94 0.00 0.00 177.10 175.07 1afb h ALA 141 N 2.00 1.10 -0.11 3.54 0.00 -1.98 -1.15 119.26 122.65 1afb h ALA 141 Ca -0.26 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1afb h ALA 141 Cb 1.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1afb h ALA 141 CO 0.31 -0.03 0.07 1.49 0.00 0.00 0.00 179.25 181.08 1afb h GLU 142 N 0.64 0.16 -0.57 0.00 4.81 -1.99 -0.94 114.58 116.69 1afb h GLU 142 Ca 0.39 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.50 1afb h GLU 142 Cb 0.45 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1afb h GLU 142 CO -0.29 0.16 -0.06 0.93 -0.73 0.00 0.00 179.01 179.02 1afb h GLU 143 N 0.11 1.03 -0.75 1.92 5.08 -1.91 -1.19 114.58 118.87 1afb h GLU 143 Ca 0.04 -0.35 0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1afb h GLU 143 Cb 0.04 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1afb h GLU 143 CO -0.01 1.04 0.47 -0.97 -1.00 0.00 0.00 179.01 178.54 1afb h ASN 144 N 0.93 0.78 -0.47 1.42 -1.24 -1.05 -0.13 115.58 115.82 1afb h ASN 144 Ca 0.16 -0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.10 1afb h ASN 144 Cb 0.61 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.47 1afb h ASN 144 CO 0.04 0.54 0.05 0.50 -1.29 0.00 0.00 177.43 177.26 1afb h LYS 145 N 0.92 0.80 -0.17 6.67 1.63 -0.88 -1.02 116.57 124.52 1afb h LYS 145 Ca 0.30 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1afb h LYS 145 Cb 0.02 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 1afb h LYS 145 CO -0.11 0.83 0.11 0.00 -3.45 0.00 0.00 179.45 176.82 1afb h ALA 146 N 0.94 0.21 -0.17 5.00 0.00 -0.48 -0.57 119.26 124.20 1afb h ALA 146 Ca 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1afb h ALA 146 Cb 0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1afb h ALA 146 CO 0.01 -0.31 0.10 0.82 0.00 0.00 0.00 179.25 179.88 1afb h ILE 147 N 0.22 1.08 -0.64 0.00 2.04 -0.94 -1.06 117.51 118.21 1afb h ILE 147 Ca 0.06 -0.21 0.12 0.00 1.00 0.00 0.00 64.86 65.83 1afb h ILE 147 Cb -0.03 0.92 -0.09 0.00 -0.74 0.00 0.00 36.82 36.89 1afb h ILE 147 CO -0.01 0.08 0.18 -0.61 0.00 0.00 0.00 178.15 177.79 1afb h GLN 148 N 0.19 0.31 -0.09 2.37 4.15 -0.91 0.38 115.11 121.51 1afb h GLN 148 Ca 0.06 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.35 1afb h GLN 148 Cb 0.04 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1afb h GLN 148 CO -0.01 0.21 -0.43 0.93 -1.93 0.00 0.00 178.83 177.60 1afb h GLU 149 N 0.32 0.20 -0.02 1.69 5.08 -0.79 -0.38 114.58 120.68 1afb h GLU 149 Ca 0.34 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1afb h GLU 149 Cb 0.50 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1afb h GLU 149 CO -0.39 0.59 -0.08 0.28 -1.00 0.00 0.00 179.01 178.41 1afb h VAL 150 N 0.16 1.51 -0.21 3.13 2.07 -0.29 -3.36 116.25 119.27 1afb h VAL 150 Ca 0.01 -1.61 -0.12 0.00 0.82 0.00 0.00 66.70 65.80 1afb h VAL 150 Cb 0.83 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1afb h VAL 150 CO 0.06 0.43 -0.32 0.00 0.02 0.00 0.00 177.57 177.77 1afb h ALA 151 N 0.35 0.33 -4.03 1.67 0.00 -0.97 -3.46 119.26 113.15 1afb h ALA 151 Ca -0.01 -0.42 -0.35 0.00 0.00 0.00 0.00 54.91 54.14 1afb h ALA 151 Cb 0.75 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1afb h ALA 151 CO 0.02 0.36 -0.47 1.63 0.00 0.00 0.00 179.25 180.78 1afb n LYS 152 N -4.31 -2.85 0.00 0.00 5.02 -0.15 -4.87 118.16 111.00 1afb n LYS 152 Ca -0.05 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1afb n LYS 152 Cb 0.49 -5.44 0.00 0.00 -0.02 0.00 0.00 35.03 30.05 1afb n LYS 152 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1afb n THR 153 N -3.88 0.00 -1.98 -0.18 5.66 -1.26 -5.01 114.28 107.63 1afb n THR 153 Ca -0.14 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.44 1afb n THR 153 Cb 0.62 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.37 1afb n THR 153 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1afb s SER 154 N 0.00 6.63 0.01 1.09 1.04 -1.26 -4.57 113.70 116.65 1afb s SER 154 Ca 0.00 2.53 0.01 0.00 0.48 0.00 0.00 55.95 58.97 1afb s SER 154 Cb 0.00 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.52 1afb s SER 154 CO 0.00 -0.81 -0.03 0.00 0.98 0.00 0.00 173.24 173.38 1afb s ALA 155 N 1.49 0.22 0.39 5.32 0.00 -0.50 -1.86 121.76 126.82 1afb s ALA 155 Ca 0.70 -0.36 -0.26 0.00 0.00 0.00 0.00 51.96 52.03 1afb s ALA 155 Cb -0.41 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.65 1afb s ALA 155 CO 0.31 -0.04 1.26 -0.06 0.00 0.00 0.00 175.76 177.24 1afb s PHE 156 N -0.73 2.94 0.30 0.00 0.08 -1.13 -0.39 117.98 119.05 1afb s PHE 156 Ca -0.07 1.46 0.09 0.00 0.12 0.00 0.00 56.93 58.53 1afb s PHE 156 Cb -0.05 -3.59 -0.04 0.00 -0.57 0.00 0.00 43.02 38.77 1afb s PHE 156 CO -0.00 -1.80 0.06 -0.51 -0.10 0.00 0.00 175.22 172.87 1afb s LEU 157 N -2.31 3.24 -0.67 -0.37 1.43 -0.12 -4.50 118.68 115.38 1afb s LEU 157 Ca 0.55 -0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 52.88 1afb s LEU 157 Cb -0.36 -1.73 -0.12 0.00 0.03 0.00 0.00 46.19 44.01 1afb s LEU 157 CO 0.47 -0.14 3.17 0.61 0.23 0.00 0.00 176.35 180.69 1afb n GLY 158 N -1.01 3.81 2.83 -3.19 0.00 0.73 -4.63 105.19 103.73 1afb n GLY 158 Ca -0.05 -1.49 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 1afb n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1afb s ILE 159 N 0.55 0.28 0.13 -0.61 1.01 -1.26 -0.49 121.20 120.80 1afb s ILE 159 Ca 0.65 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 61.23 1afb s ILE 159 Cb 0.28 -0.36 0.01 0.00 0.01 0.00 0.00 42.46 42.39 1afb s ILE 159 CO -0.06 0.17 0.30 0.42 0.00 0.00 0.00 174.94 175.77 1afb s THR 160 N 1.08 0.09 -0.24 2.92 -4.23 -0.33 -3.05 115.64 111.89 1afb s THR 160 Ca -0.09 -1.07 0.10 0.00 -1.18 0.00 0.00 61.69 59.46 1afb s THR 160 Cb -0.14 -1.49 0.44 0.00 1.34 0.00 0.00 72.50 72.66 1afb s THR 160 CO -0.01 -0.41 1.20 -0.90 -0.54 0.00 0.00 174.62 173.96 1afb n ASP 161 N -0.18 3.13 -0.09 3.99 5.75 -0.60 -0.46 116.55 128.09 1afb n ASP 161 Ca -0.12 -3.73 -0.07 0.00 -0.01 0.00 0.00 54.79 50.86 1afb n ASP 161 Cb 0.63 -0.44 0.11 0.00 -1.03 0.00 0.00 41.12 40.39 1afb n ASP 161 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1afb h GLU 162 N 1.57 0.78 -0.13 0.11 5.08 -1.85 -3.10 114.58 117.05 1afb h GLU 162 Ca 0.16 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1afb h GLU 162 Cb 1.28 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1afb h GLU 162 CO 0.35 0.89 -0.02 0.28 -1.00 0.00 0.00 179.01 179.51 1afb h VAL 163 N 0.69 1.28 -2.97 3.13 2.07 -1.88 -3.42 116.25 115.15 1afb h VAL 163 Ca 0.11 -0.92 -0.47 0.00 0.82 0.00 0.00 66.70 66.24 1afb h VAL 163 Cb 0.65 1.63 -0.41 0.00 -1.52 0.00 0.00 31.29 31.65 1afb h VAL 163 CO 0.05 0.26 -0.75 -0.89 0.02 0.00 0.00 177.57 176.26 1afb s THR 164 N -4.83 -0.09 0.06 2.57 2.01 -1.22 -5.12 115.64 109.02 1afb s THR 164 Ca -0.14 -0.29 -0.38 0.00 0.31 0.00 0.00 61.69 61.19 1afb s THR 164 Cb 0.05 -0.66 -0.18 0.00 0.01 0.00 0.00 72.50 71.72 1afb s THR 164 CO 0.71 -0.38 1.17 1.21 -0.69 0.00 0.00 174.62 176.65 1afb n GLU 165 N 5.27 0.58 0.00 4.92 4.07 -1.17 -0.63 120.64 133.68 1afb n GLU 165 Ca -0.07 0.21 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 1afb n GLU 165 Cb 0.47 -1.75 0.00 0.00 -0.06 0.00 0.00 31.44 30.11 1afb n GLU 165 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1afb n GLY 166 N 1.99 2.97 3.34 8.31 0.00 -1.26 -4.98 105.19 115.56 1afb n GLY 166 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 1afb n GLY 166 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1afb s GLN 167 N -0.21 3.01 0.04 1.61 -1.52 0.19 -5.04 119.66 117.74 1afb s GLN 167 Ca 0.00 -1.55 -0.30 0.00 -1.95 0.00 0.00 55.36 51.56 1afb s GLN 167 Cb 0.00 -4.29 -0.04 0.00 -0.22 0.00 0.00 33.01 28.46 1afb s GLN 167 CO 0.00 -1.42 1.00 -0.06 -0.25 0.00 0.00 175.29 174.57 1afb s PHE 168 N 2.04 3.67 0.12 0.91 0.40 -1.26 -4.30 117.98 119.55 1afb s PHE 168 Ca 0.06 1.68 0.05 0.00 -0.60 0.00 0.00 56.93 58.12 1afb s PHE 168 Cb -0.28 -3.14 -0.04 0.00 0.51 0.00 0.00 43.02 40.07 1afb s PHE 168 CO 0.04 -0.11 -0.13 -1.64 0.70 0.00 0.00 175.22 174.08 1afb s MET 169 N 0.73 0.98 0.39 0.44 -1.94 0.39 -2.99 119.30 117.30 1afb s MET 169 Ca 0.51 -1.23 -0.24 0.00 -1.71 0.00 0.00 55.69 53.03 1afb s MET 169 Cb -0.23 -0.79 -0.10 0.00 2.01 0.00 0.00 34.83 35.73 1afb s MET 169 CO 0.29 0.14 0.99 0.71 -0.01 0.00 0.00 175.02 177.14 1afb s TYR 170 N -2.29 3.40 0.48 -0.03 2.02 -0.29 -1.18 117.35 119.45 1afb s TYR 170 Ca 0.08 1.68 0.23 0.00 -0.37 0.00 0.00 57.07 58.69 1afb s TYR 170 Cb -0.04 -2.99 1.39 0.00 -0.40 0.00 0.00 41.96 39.92 1afb s TYR 170 CO 0.02 -0.24 2.10 -0.39 -1.57 0.00 0.00 175.55 175.47 1afb h VAL 171 N 2.21 0.77 -0.05 0.71 -1.51 -1.14 0.10 116.25 117.34 1afb h VAL 171 Ca -0.48 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 1afb h VAL 171 Cb 1.20 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 1afb h VAL 171 CO 0.63 0.10 0.00 0.35 -1.23 0.00 0.00 177.57 177.42 1afb n THR 172 N -3.97 0.06 0.00 7.19 -2.24 -1.26 -4.98 114.28 109.08 1afb n THR 172 Ca -0.02 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1afb n THR 172 Cb 0.19 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1afb n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1afb n GLY 173 N 0.84 0.47 0.00 3.38 0.00 0.36 -5.15 105.19 105.10 1afb n GLY 173 Ca 0.13 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1afb n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1afb n GLY 174 N 1.44 2.43 3.82 -0.02 0.00 -1.26 -4.58 105.19 107.02 1afb n GLY 174 Ca 0.00 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 1afb n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1afb s ARG 175 N -3.56 3.78 0.31 1.61 1.70 -1.26 -1.14 118.95 120.39 1afb s ARG 175 Ca 0.00 1.16 -0.29 0.00 -0.47 0.00 0.00 55.73 56.12 1afb s ARG 175 Cb 0.00 -2.10 -0.12 0.00 -0.57 0.00 0.00 34.95 32.15 1afb s ARG 175 CO 0.00 -0.43 1.40 1.28 -1.08 0.00 0.00 175.30 176.48 1afb n LEU 176 N -1.40 3.78 -0.00 -1.89 4.77 -1.16 -4.84 117.00 116.26 1afb n LEU 176 Ca 0.08 1.18 0.03 0.00 -0.03 0.00 0.00 56.01 57.27 1afb n LEU 176 Cb 0.53 -1.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.07 1afb n LEU 176 CO 0.43 -0.27 -0.35 0.35 -1.33 0.00 0.00 177.39 176.22 1afb n THR 177 N 1.06 0.00 -3.86 -5.08 -2.24 -1.26 -4.99 114.28 97.91 1afb n THR 177 Ca 0.06 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 1afb n THR 177 Cb 0.35 0.61 -0.14 0.00 -2.10 0.00 0.00 70.33 69.06 1afb n THR 177 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1afb s TYR 178 N -2.06 -0.03 0.04 4.78 5.04 -1.26 -5.08 117.35 118.79 1afb s TYR 178 Ca -0.00 0.07 -0.04 0.00 -2.44 0.00 0.00 57.07 54.66 1afb s TYR 178 Cb 0.04 0.00 -0.02 0.00 0.35 0.00 0.00 41.96 42.33 1afb s TYR 178 CO 0.23 -0.02 0.06 -1.54 -1.34 0.00 0.00 175.55 172.94 1afb s SER 179 N 0.05 0.27 -0.34 4.32 1.04 -1.26 -4.98 113.70 112.81 1afb s SER 179 Ca -0.00 -0.68 0.16 0.00 0.48 0.00 0.00 55.95 55.91 1afb s SER 179 Cb -0.01 0.22 0.44 0.00 0.10 0.00 0.00 66.02 66.77 1afb s SER 179 CO -0.00 -0.54 1.18 -3.20 0.98 0.00 0.00 173.24 171.67 1afb n ASN 180 N 0.58 0.07 -4.76 7.02 5.15 -1.26 -5.08 115.26 116.97 1afb n ASN 180 Ca -0.18 -2.44 -0.39 0.00 -0.60 0.00 0.00 54.58 50.97 1afb n ASN 180 Cb 0.59 0.11 0.01 0.00 -0.53 0.00 0.00 39.78 39.96 1afb n ASN 180 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1afb s TRP 181 N -1.82 2.56 0.81 1.20 0.52 -1.26 -0.11 118.94 120.83 1afb s TRP 181 Ca 0.23 1.36 -0.11 0.00 0.02 0.00 0.00 56.10 57.60 1afb s TRP 181 Cb 0.42 -3.76 0.07 0.00 -1.15 0.00 0.00 33.47 29.05 1afb s TRP 181 CO -0.04 -2.54 1.09 0.21 0.02 0.00 0.00 176.95 175.69 1afb s LYS 182 N -2.53 2.01 0.42 4.98 2.20 0.06 -4.63 119.74 122.25 1afb s LYS 182 Ca 0.63 0.82 -0.26 0.00 -0.36 0.00 0.00 55.97 56.80 1afb s LYS 182 Cb -0.40 -1.89 -0.08 0.00 -1.51 0.00 0.00 37.83 33.94 1afb s LYS 182 CO 0.50 -1.72 1.34 0.21 -0.36 0.00 0.00 175.35 175.32 1afb s LYS 183 N -5.04 3.85 -0.18 4.03 2.20 -1.26 -2.54 119.74 120.80 1afb s LYS 183 Ca 0.61 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 58.45 1afb s LYS 183 Cb -0.16 -2.70 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 1afb s LYS 183 CO 0.55 -0.61 0.00 -0.25 -0.36 0.00 0.00 175.35 174.68 1afb n ASP 184 N -0.02 -4.61 -4.33 1.43 8.00 -1.26 -5.00 116.55 110.76 1afb n ASP 184 Ca 0.04 0.04 -0.26 0.00 0.71 0.00 0.00 54.79 55.32 1afb n ASP 184 Cb 0.43 -2.26 -0.13 0.00 -0.02 0.00 0.00 41.12 39.14 1afb n ASP 184 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1afb s GLN 185 N -1.38 1.25 0.46 -1.24 -1.52 -1.05 -4.29 119.66 111.89 1afb s GLN 185 Ca 0.00 -1.25 -0.20 0.00 -1.95 0.00 0.00 55.36 51.96 1afb s GLN 185 Cb 0.00 -1.62 -0.10 0.00 -0.22 0.00 0.00 33.01 31.07 1afb s GLN 185 CO 0.00 0.38 0.98 -1.25 -0.25 0.00 0.00 175.29 175.15 1afb s PRO 186 N -2.00 4.06 0.00 2.91 0.04 -1.26 -4.57 135.00 134.18 1afb s PRO 186 Ca 0.10 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1afb s PRO 186 Cb -0.10 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1afb s PRO 186 CO 0.05 -0.18 0.47 -0.40 0.04 0.00 0.00 177.00 176.98 1afb n ASP 187 N -0.89 0.75 -4.29 6.66 5.75 -1.26 -5.03 116.55 118.24 1afb n ASP 187 Ca 0.08 -1.22 -0.31 0.00 -0.01 0.00 0.00 54.79 53.33 1afb n ASP 187 Cb 0.54 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.54 1afb n ASP 187 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1afb n ASP 188 N -0.11 0.68 -4.75 -1.12 2.03 -1.26 -4.83 116.55 107.19 1afb n ASP 188 Ca 0.00 -1.25 -0.41 0.00 0.52 0.00 0.00 54.79 53.65 1afb n ASP 188 Cb 0.22 -1.76 -0.02 0.00 -0.72 0.00 0.00 41.12 38.84 1afb n ASP 188 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1afb s TRP 189 N -4.29 2.93 -0.05 -0.67 -0.00 -1.26 -4.16 118.94 111.44 1afb s TRP 189 Ca 0.04 1.06 0.21 0.00 -0.00 0.00 0.00 56.10 57.41 1afb s TRP 189 Cb -0.02 -3.86 -0.33 0.00 -0.00 0.00 0.00 33.47 29.26 1afb s TRP 189 CO 0.99 -2.74 0.43 0.66 -0.00 0.00 0.00 176.95 176.30 1afb n TYR 190 N 1.87 0.00 0.00 5.86 4.02 -1.26 -3.56 117.16 124.09 1afb n TYR 190 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1afb n TYR 190 Cb 0.40 -0.54 0.00 0.00 -0.02 0.00 0.00 39.34 39.18 1afb n TYR 190 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1afb n GLY 191 N 1.32 -0.10 0.05 2.72 0.00 -1.26 -2.51 105.19 105.41 1afb n GLY 191 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1afb n GLY 191 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1afb n HIS 192 N -1.01 0.36 -0.88 1.61 1.44 -1.26 -4.93 115.22 110.56 1afb n HIS 192 Ca 0.00 0.11 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1afb n HIS 192 Cb 0.04 -0.69 0.00 0.00 0.12 0.00 0.00 29.99 29.46 1afb n HIS 192 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1afb n GLY 193 N 1.03 0.29 0.11 -1.39 0.00 -1.04 -4.82 105.19 99.38 1afb n GLY 193 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1afb n GLY 193 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1afb h LEU 194 N 0.00 0.00 0.00 0.99 3.38 -1.92 -3.49 115.31 114.27 1afb h LEU 194 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1afb h LEU 194 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1afb h LEU 194 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1afb n GLY 195 N 1.28 2.04 0.01 0.83 0.00 -1.26 -5.07 105.19 103.02 1afb n GLY 195 Ca 0.05 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1afb n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1afb n GLY 196 N 2.42 -1.64 0.00 -0.02 0.00 -1.26 -4.97 105.19 99.72 1afb n GLY 196 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1afb n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1afb n GLY 197 N -1.83 0.94 2.94 -0.02 0.00 -1.26 -4.55 105.19 101.41 1afb n GLY 197 Ca -0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1afb n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1afb s GLU 198 N 1.73 1.67 0.00 1.61 2.02 -1.23 -4.41 118.70 120.09 1afb s GLU 198 Ca 0.00 -0.83 0.09 0.00 0.02 0.00 0.00 54.97 54.25 1afb s GLU 198 Cb 0.00 -2.40 0.06 0.00 0.10 0.00 0.00 34.13 31.89 1afb s GLU 198 CO 0.00 -0.52 0.76 -0.25 0.02 0.00 0.00 175.26 175.28 1afb n ASP 199 N 4.73 1.67 -4.70 -0.19 8.00 -1.14 -4.47 116.55 120.45 1afb n ASP 199 Ca -0.13 -1.34 -0.24 0.00 0.71 0.00 0.00 54.79 53.79 1afb n ASP 199 Cb 0.46 0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 41.55 1afb n ASP 199 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1afb s VAL 201 N -2.54 0.96 0.13 0.00 1.01 -1.17 -0.22 120.40 118.57 1afb s VAL 201 Ca 0.38 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.96 1afb s VAL 201 Cb 0.01 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1afb s VAL 201 CO 0.22 0.28 -0.22 0.42 0.00 0.00 0.00 175.10 175.80 1afb s THR 202 N -0.14 1.90 -0.19 3.92 -4.23 -0.39 -0.94 115.64 115.56 1afb s THR 202 Ca 0.02 -1.71 -0.14 0.00 -1.18 0.00 0.00 61.69 58.67 1afb s THR 202 Cb -0.06 -1.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 1afb s THR 202 CO -0.00 -0.09 0.33 -0.51 -0.54 0.00 0.00 174.62 173.81 1afb s ILE 203 N -1.38 5.26 0.76 2.99 2.07 0.48 -2.07 121.20 129.31 1afb s ILE 203 Ca 0.11 0.59 -0.02 0.00 -1.41 0.00 0.00 60.65 59.92 1afb s ILE 203 Cb -0.09 -3.67 0.15 0.00 0.13 0.00 0.00 42.46 38.99 1afb s ILE 203 CO 0.06 0.32 1.04 1.33 -1.91 0.00 0.00 174.94 175.78 1afb n VAL 204 N 4.02 0.00 -0.29 4.00 0.24 0.02 -1.40 118.33 124.91 1afb n VAL 204 Ca -0.10 -1.54 0.11 0.00 -2.04 0.00 0.00 64.34 60.77 1afb n VAL 204 Cb 0.51 -0.94 0.26 0.00 -1.47 0.00 0.00 33.84 32.20 1afb n VAL 204 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1afb h ASP 205 N -0.71 -0.14 -0.17 -1.34 5.19 -1.87 -0.25 116.42 117.13 1afb h ASP 205 Ca -0.34 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1afb h ASP 205 Cb 1.24 0.31 0.00 0.00 0.18 0.00 0.00 39.33 41.06 1afb h ASP 205 CO 0.36 -0.19 0.00 -0.46 -3.12 0.00 0.00 179.24 175.83 1afb n ASN 206 N -5.29 1.21 0.00 6.45 0.23 -1.26 -4.89 115.26 111.71 1afb n ASN 206 Ca 0.20 -1.78 0.00 0.00 -0.53 0.00 0.00 54.58 52.46 1afb n ASN 206 Cb 0.65 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 1afb n ASN 206 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1afb n GLY 207 N 0.96 2.13 3.84 4.83 0.00 -0.10 -5.04 105.19 111.81 1afb n GLY 207 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1afb n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1afb s LEU 208 N 0.00 2.77 0.12 0.99 1.43 -1.26 -4.67 118.68 118.05 1afb s LEU 208 Ca 0.00 1.27 0.05 0.00 -1.03 0.00 0.00 54.13 54.41 1afb s LEU 208 Cb 0.00 -3.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 1afb s LEU 208 CO 0.00 -1.67 0.04 0.26 0.23 0.00 0.00 176.35 175.22 1afb s TRP 209 N -3.23 3.05 -0.05 0.29 0.51 0.84 -0.80 118.94 119.55 1afb s TRP 209 Ca 0.59 -0.02 -0.03 0.00 -2.12 0.00 0.00 56.10 54.53 1afb s TRP 209 Cb -0.13 -1.53 0.02 0.00 -0.81 0.00 0.00 33.47 31.03 1afb s TRP 209 CO 0.53 0.50 0.11 1.21 -0.51 0.00 0.00 176.95 178.80 1afb s ASN 210 N -2.58 -0.08 0.21 2.95 2.47 -0.88 -0.76 114.94 116.26 1afb s ASN 210 Ca 0.28 0.22 -0.29 0.00 0.42 0.00 0.00 52.86 53.49 1afb s ASN 210 Cb -0.11 0.16 -0.08 0.00 -1.45 0.00 0.00 41.25 39.77 1afb s ASN 210 CO 0.20 -0.09 0.91 1.51 -3.72 0.00 0.00 177.10 175.91 1afb s ASP 211 N 0.63 7.58 0.18 -4.21 -4.77 -1.26 -1.27 116.67 113.55 1afb s ASP 211 Ca -0.05 1.87 -0.03 0.00 -3.30 0.00 0.00 52.55 51.04 1afb s ASP 211 Cb -0.07 -2.59 -0.03 0.00 -1.09 0.00 0.00 42.92 39.15 1afb s ASP 211 CO -0.03 0.14 0.16 -0.51 0.70 0.00 0.00 175.17 175.63 1afb s ILE 212 N -1.00 0.04 0.26 2.11 1.10 0.69 -4.87 121.20 119.52 1afb s ILE 212 Ca 0.41 -1.84 -0.30 0.00 -0.51 0.00 0.00 60.65 58.41 1afb s ILE 212 Cb -0.25 -2.25 -0.10 0.00 0.15 0.00 0.00 42.46 40.01 1afb s ILE 212 CO 0.31 -0.18 1.43 -0.55 -2.11 0.00 0.00 174.94 173.83 1afb s SER 213 N -3.09 6.66 0.44 4.50 0.15 -1.26 -1.57 113.70 119.53 1afb s SER 213 Ca 0.30 2.67 0.30 0.00 0.70 0.00 0.00 55.95 59.93 1afb s SER 213 Cb 0.06 -2.63 1.46 0.00 -1.71 0.00 0.00 66.02 63.20 1afb s SER 213 CO 0.07 -0.69 1.92 0.00 1.20 0.00 0.00 173.24 175.74 1afb n GLN 215 N -2.65 0.08 -1.56 0.00 3.00 -1.26 -1.63 117.38 113.37 1afb n GLN 215 Ca -0.00 0.04 -0.31 0.00 -0.01 0.00 0.00 57.00 56.72 1afb n GLN 215 Cb 0.16 -1.57 0.06 0.00 0.00 0.00 0.00 30.24 28.90 1afb n GLN 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1afb s ALA 216 N -3.04 2.53 -0.30 -1.58 0.00 -0.50 -4.67 121.76 114.19 1afb s ALA 216 Ca 0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.97 1afb s ALA 216 Cb 0.17 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.12 1afb s ALA 216 CO 0.64 -1.40 0.14 -1.12 0.00 0.00 0.00 175.76 174.01 1afb s SER 217 N -3.82 5.48 0.23 0.00 0.01 -1.26 -3.67 113.70 110.67 1afb s SER 217 Ca 0.59 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 57.42 1afb s SER 217 Cb -0.14 -1.99 -0.05 0.00 0.21 0.00 0.00 66.02 64.05 1afb s SER 217 CO 0.55 -0.16 0.05 -1.00 0.41 0.00 0.00 173.24 173.09 1afb s HIS 218 N 1.62 1.48 0.23 2.43 3.76 -0.85 -4.58 115.29 119.38 1afb s HIS 218 Ca 0.05 -1.08 -0.31 0.00 -0.15 0.00 0.00 55.06 53.56 1afb s HIS 218 Cb -0.17 -0.86 -0.12 0.00 1.11 0.00 0.00 32.58 32.54 1afb s HIS 218 CO 0.06 -0.23 1.69 0.99 -0.85 0.00 0.00 174.74 176.40 1afb s THR 219 N -3.65 2.02 -0.29 1.30 2.01 -0.78 -1.34 115.64 114.92 1afb s THR 219 Ca 0.32 0.02 -0.25 0.00 0.31 0.00 0.00 61.69 62.09 1afb s THR 219 Cb 0.07 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.57 1afb s THR 219 CO 0.10 0.00 0.85 0.00 -0.69 0.00 0.00 174.62 174.88 1afb s ALA 220 N 0.84 3.55 -0.12 7.40 0.00 -0.63 -2.83 121.76 129.97 1afb s ALA 220 Ca 0.72 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 52.38 1afb s ALA 220 Cb -0.49 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.29 1afb s ALA 220 CO 0.37 -1.19 -0.08 0.08 0.00 0.00 0.00 175.76 174.94 1afb s VAL 221 N 3.05 1.06 0.13 0.00 1.01 -1.26 -4.04 120.40 120.35 1afb s VAL 221 Ca 0.35 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1afb s VAL 221 Cb -0.14 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1afb s VAL 221 CO 0.12 0.35 0.23 0.00 0.00 0.00 0.00 175.10 175.80 1afb s GLU 223 N -3.03 1.97 0.03 0.00 2.12 0.64 -1.14 118.70 119.28 1afb s GLU 223 Ca 0.34 -0.91 0.06 0.00 0.36 0.00 0.00 54.97 54.82 1afb s GLU 223 Cb -0.11 -1.93 -0.02 0.00 0.26 0.00 0.00 34.13 32.32 1afb s GLU 223 CO 0.27 0.53 -0.17 -0.06 -0.54 0.00 0.00 175.26 175.29 1afb s PHE 224 N -0.61 1.47 0.81 5.30 0.08 -0.17 -1.99 117.98 122.87 1afb s PHE 224 Ca 0.10 -0.33 -0.14 0.00 0.12 0.00 0.00 56.93 56.67 1afb s PHE 224 Cb -0.10 -0.89 0.01 0.00 -0.57 0.00 0.00 43.02 41.48 1afb s PHE 224 CO -0.01 0.04 0.67 -0.35 -0.10 0.00 0.00 175.22 175.47 1afb n PRO 225 N 2.11 0.11 0.00 0.24 -0.04 -1.26 -1.29 135.00 134.86 1afb n PRO 225 Ca -0.17 0.09 0.06 0.00 -0.04 0.00 0.00 63.50 63.44 1afb n PRO 225 Cb 0.54 -2.00 0.34 0.00 -0.04 0.00 0.00 33.50 32.34 1afb n PRO 225 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46