#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 0.97 -0.87 0.00 2.04 -2.05 -1.89 117.51 115.71 1afb h ILE 74 Ca 0.00 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1afb h ILE 74 Cb 0.00 -0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 35.88 1afb h ILE 74 CO 0.00 0.19 0.58 -0.33 0.00 0.00 0.00 178.15 178.59 1afb h GLU 75 N 1.04 1.14 -0.31 2.37 3.07 -2.05 0.59 114.58 120.44 1afb h GLU 75 Ca 0.47 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 59.23 1afb h GLU 75 Cb 0.38 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1afb h GLU 75 CO -0.23 0.75 0.07 0.28 -1.40 0.00 0.00 179.01 178.48 1afb h VAL 76 N 1.17 1.22 -0.83 3.13 2.07 -1.79 -0.17 116.25 121.06 1afb h VAL 76 Ca 0.32 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1afb h VAL 76 Cb -0.12 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1afb h VAL 76 CO -0.07 0.24 0.47 0.50 0.02 0.00 0.00 177.57 178.73 1afb h LYS 77 N 0.33 1.14 -0.51 1.57 3.64 -1.08 -0.10 116.57 121.56 1afb h LYS 77 Ca 0.10 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1afb h LYS 77 Cb 0.30 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1afb h LYS 77 CO 0.00 0.83 0.20 1.25 -2.27 0.00 0.00 179.45 179.46 1afb h LEU 78 N 1.14 0.71 -0.50 5.20 5.85 -0.62 -0.15 115.31 126.95 1afb h LEU 78 Ca 0.29 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1afb h LEU 78 Cb 0.00 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1afb h LEU 78 CO -0.05 0.69 0.20 0.00 -0.34 0.00 0.00 178.44 178.94 1afb h ALA 79 N 1.05 0.65 -0.51 1.25 0.00 -0.50 -0.95 119.26 120.25 1afb h ALA 79 Ca 0.17 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1afb h ALA 79 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1afb h ALA 79 CO -0.01 0.26 0.04 -0.91 0.00 0.00 0.00 179.25 178.63 1afb h ASN 80 N 0.67 0.79 0.07 0.00 -0.26 -0.72 -2.08 115.58 114.05 1afb h ASN 80 Ca 0.17 -0.18 -0.11 0.00 -0.56 0.00 0.00 56.30 55.62 1afb h ASN 80 Cb 0.19 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 1afb h ASN 80 CO -0.01 0.83 -0.35 0.24 -1.06 0.00 0.00 177.43 177.07 1afb h MET 81 N 0.78 0.39 -0.45 0.81 2.86 -0.66 -2.04 114.93 116.62 1afb h MET 81 Ca 0.16 -0.17 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 1afb h MET 81 Cb 0.41 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1afb h MET 81 CO 0.01 0.70 -0.13 0.93 1.06 0.00 0.00 176.91 179.48 1afb h GLU 82 N 0.33 0.83 -0.60 1.72 5.08 -0.81 -1.19 114.58 119.95 1afb h GLU 82 Ca 0.04 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1afb h GLU 82 Cb 0.78 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1afb h GLU 82 CO 0.06 0.91 0.25 0.00 -1.00 0.00 0.00 179.01 179.23 1afb h ALA 83 N 1.11 0.77 -0.41 3.43 0.00 -1.08 -1.62 119.26 121.46 1afb h ALA 83 Ca 0.12 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1afb h ALA 83 Cb 0.63 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1afb h ALA 83 CO 0.04 0.38 0.26 0.93 0.00 0.00 0.00 179.25 180.87 1afb h GLU 84 N 0.82 0.52 -0.69 0.00 4.39 -0.91 -1.29 114.58 117.42 1afb h GLU 84 Ca 0.20 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 1afb h GLU 84 Cb 0.19 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1afb h GLU 84 CO -0.02 0.35 0.43 0.82 -1.16 0.00 0.00 179.01 179.43 1afb h ILE 85 N 0.54 1.19 -0.79 3.13 2.04 -1.01 -1.04 117.51 121.57 1afb h ILE 85 Ca 0.15 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1afb h ILE 85 Cb -0.05 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.21 1afb h ILE 85 CO -0.04 0.20 0.34 0.78 0.00 0.00 0.00 178.15 179.43 1afb h ASN 86 N 0.94 1.06 -0.75 1.72 2.35 -0.89 -0.27 115.58 119.74 1afb h ASN 86 Ca 0.25 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1afb h ASN 86 Cb -0.05 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.01 1afb h ASN 86 CO -0.05 0.92 0.35 0.74 -1.65 0.00 0.00 177.43 177.74 1afb h THR 87 N 1.14 1.24 -0.38 2.81 2.02 -0.86 -2.05 112.91 116.82 1afb h THR 87 Ca 0.27 -0.69 -0.13 0.00 0.77 0.00 0.00 66.41 66.63 1afb h THR 87 Cb 0.17 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1afb h THR 87 CO -0.03 0.29 -0.29 -0.07 0.37 0.00 0.00 175.52 175.79 1afb h LEU 88 N 1.05 0.86 -0.94 2.58 3.38 -0.61 -1.31 115.31 120.32 1afb h LEU 88 Ca 0.26 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1afb h LEU 88 Cb 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1afb h LEU 88 CO -0.03 1.09 0.04 0.11 0.09 0.00 0.00 178.44 179.74 1afb h LYS 89 N 0.70 0.81 -0.29 1.13 1.79 -0.85 -0.19 116.57 119.67 1afb h LYS 89 Ca 0.08 -0.20 -0.18 0.00 -2.18 0.00 0.00 60.65 58.17 1afb h LYS 89 Cb 0.84 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1afb h LYS 89 CO 0.07 0.79 -0.51 0.77 -1.08 0.00 0.00 179.45 179.49 1afb h SER 90 N 0.77 0.93 -0.65 0.86 0.02 -1.25 -1.92 113.55 112.31 1afb h SER 90 Ca 0.16 -0.48 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 1afb h SER 90 Cb 0.41 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1afb h SER 90 CO 0.01 1.27 0.28 0.50 -1.14 0.00 0.00 176.83 177.75 1afb h LYS 91 N 0.66 0.96 -0.36 3.45 3.64 -0.89 -1.30 116.57 122.72 1afb h LYS 91 Ca 0.02 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 1afb h LYS 91 Cb 1.11 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1afb h LYS 91 CO 0.11 0.79 -0.22 1.25 -2.27 0.00 0.00 179.45 179.12 1afb h LEU 92 N 0.91 0.71 -0.83 5.20 5.85 -0.97 -0.35 115.31 125.83 1afb h LEU 92 Ca 0.22 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1afb h LEU 92 Cb 0.18 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1afb h LEU 92 CO -0.02 0.92 0.45 -0.08 -0.34 0.00 0.00 178.44 179.37 1afb h GLU 93 N 0.62 1.17 -0.50 1.25 4.57 -0.98 -1.05 114.58 119.66 1afb h GLU 93 Ca 0.09 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 1afb h GLU 93 Cb 0.70 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 1afb h GLU 93 CO 0.05 0.86 0.13 1.25 -1.18 0.00 0.00 179.01 180.13 1afb h LEU 94 N 1.16 0.75 -0.74 1.64 5.85 -0.80 -0.58 115.31 122.60 1afb h LEU 94 Ca 0.29 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1afb h LEU 94 Cb 0.04 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 1afb h LEU 94 CO -0.05 0.78 0.43 0.74 -0.34 0.00 0.00 178.44 180.01 1afb h THR 95 N 0.69 0.99 -0.46 1.05 2.02 -0.55 0.64 112.91 117.27 1afb h THR 95 Ca 0.16 -0.27 -0.11 0.00 0.77 0.00 0.00 66.41 66.95 1afb h THR 95 Cb 0.32 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1afb h THR 95 CO -0.00 0.14 -0.17 0.78 0.37 0.00 0.00 175.52 176.65 1afb h ASN 96 N 0.79 0.90 -0.33 4.18 -0.26 -0.76 -0.78 115.58 119.33 1afb h ASN 96 Ca 0.33 -0.31 -0.08 0.00 -0.56 0.00 0.00 56.30 55.68 1afb h ASN 96 Cb 0.20 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.20 1afb h ASN 96 CO -0.18 1.06 -0.11 0.11 -1.06 0.00 0.00 177.43 177.25 1afb h LYS 97 N 0.79 0.65 -0.40 0.81 1.57 -0.50 -1.90 116.57 117.59 1afb h LYS 97 Ca 0.12 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1afb h LYS 97 Cb 0.71 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1afb h LYS 97 CO 0.05 0.84 0.18 1.25 -0.57 0.00 0.00 179.45 181.20 1afb h LEU 98 N 0.42 0.54 -0.11 2.94 5.85 -0.73 -1.34 115.31 122.88 1afb h LEU 98 Ca 0.08 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1afb h LEU 98 Cb 0.61 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1afb h LEU 98 CO 0.04 0.53 0.06 -0.74 -0.34 0.00 0.00 178.44 177.99 1afb h HIS 99 N 0.50 0.11 -0.38 1.25 2.76 -1.08 0.66 115.15 118.97 1afb h HIS 99 Ca 0.14 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.37 1afb h HIS 99 Cb 0.15 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.03 1afb h HIS 99 CO -0.01 0.06 0.08 0.00 -1.30 0.00 0.00 177.93 176.77 1afb h ALA 100 N 1.05 0.41 -0.21 5.26 0.00 -1.21 0.43 119.26 125.00 1afb h ALA 100 Ca 0.04 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1afb h ALA 100 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1afb h ALA 100 CO -0.03 -0.32 0.02 0.35 0.00 0.00 0.00 179.25 179.27 1afb h PHE 101 N 0.21 0.03 -0.02 0.00 3.57 -0.93 -0.93 116.94 118.87 1afb h PHE 101 Ca 0.18 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1afb h PHE 101 Cb 0.21 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1afb h PHE 101 CO -0.19 -0.01 -0.08 0.66 -2.23 0.00 0.00 178.31 176.46 1afb h SER 102 N 0.10 0.03 -0.23 0.41 4.64 -0.17 -1.09 113.55 117.23 1afb h SER 102 Ca 0.10 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1afb h SER 102 Cb 0.11 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1afb h SER 102 CO -0.15 0.11 0.00 0.23 -0.87 0.00 0.00 176.83 176.16 1afb n MET 103 N -4.42 1.65 -0.17 4.77 2.81 0.08 -4.93 117.12 116.90 1afb n MET 103 Ca -0.02 -1.00 0.00 0.00 -1.81 0.00 0.00 57.70 54.87 1afb n MET 103 Cb 0.17 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 1.02 0.82 3.68 3.03 0.00 -0.41 -4.94 105.19 108.38 1afb n GLY 104 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.83 4.17 0.24 1.61 2.20 -0.43 -4.98 119.74 121.73 1afb s LYS 105 Ca 0.00 2.41 -0.10 0.00 -0.36 0.00 0.00 55.97 57.92 1afb s LYS 105 Cb 0.00 -3.72 -0.07 0.00 -1.51 0.00 0.00 37.83 32.53 1afb s LYS 105 CO 0.00 -0.80 0.57 0.15 -0.36 0.00 0.00 175.35 174.91 1afb s LYS 106 N 3.06 3.83 -0.01 4.03 -0.14 -1.26 -4.62 119.74 124.63 1afb s LYS 106 Ca 0.77 0.33 -0.35 0.00 -1.36 0.00 0.00 55.97 55.36 1afb s LYS 106 Cb -0.41 -2.62 -0.13 0.00 -1.68 0.00 0.00 37.83 32.99 1afb s LYS 106 CO 0.34 0.29 1.74 0.43 -0.76 0.00 0.00 175.35 177.39 1afb n SER 107 N -0.17 3.15 -0.24 2.83 7.64 -1.26 -1.67 113.62 123.90 1afb n SER 107 Ca 0.01 1.03 -0.03 0.00 1.01 0.00 0.00 58.87 60.88 1afb n SER 107 Cb 0.52 -1.36 -0.01 0.00 -1.01 0.00 0.00 64.21 62.35 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 3.94 0.53 3.45 0.23 0.00 -1.26 -5.00 105.19 107.08 1afb n GLY 108 Ca 0.21 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.57 1.61 0.70 1.61 -0.14 -0.67 -4.87 119.74 116.41 1afb s LYS 109 Ca 0.00 -1.55 -0.16 0.00 -1.36 0.00 0.00 55.97 52.90 1afb s LYS 109 Cb 0.00 -1.86 0.02 0.00 -1.68 0.00 0.00 37.83 34.31 1afb s LYS 109 CO 0.00 0.39 1.24 0.15 -0.76 0.00 0.00 175.35 176.36 1afb s LYS 110 N -2.87 2.30 -0.24 1.68 1.02 -1.26 -4.31 119.74 116.07 1afb s LYS 110 Ca 0.23 1.87 -0.09 0.00 0.02 0.00 0.00 55.97 58.00 1afb s LYS 110 Cb -0.07 -1.84 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 1afb s LYS 110 CO 0.11 -1.74 0.12 0.12 -0.92 0.00 0.00 175.35 173.05 1afb s PHE 111 N -1.76 3.20 -0.10 3.18 5.36 -0.19 -4.68 117.98 122.99 1afb s PHE 111 Ca 0.77 -0.05 -0.00 0.00 -0.96 0.00 0.00 56.93 56.69 1afb s PHE 111 Cb -0.32 -2.25 -0.03 0.00 -0.34 0.00 0.00 43.02 40.08 1afb s PHE 111 CO 0.43 -0.12 -0.09 -0.06 -1.46 0.00 0.00 175.22 173.92 1afb s PHE 112 N 1.29 2.90 -0.04 10.12 0.08 -1.26 -0.23 117.98 130.85 1afb s PHE 112 Ca 0.06 -0.23 -0.14 0.00 0.12 0.00 0.00 56.93 56.74 1afb s PHE 112 Cb -0.15 -1.79 0.02 0.00 -0.57 0.00 0.00 43.02 40.54 1afb s PHE 112 CO 0.05 0.10 0.31 0.54 -0.10 0.00 0.00 175.22 176.12 1afb s VAL 113 N -0.24 0.05 0.05 -0.44 0.11 -0.33 -4.94 120.40 114.66 1afb s VAL 113 Ca 0.03 -0.38 -0.01 0.00 -2.93 0.00 0.00 61.98 58.69 1afb s VAL 113 Cb -0.13 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1afb s VAL 113 CO 0.03 -0.21 -0.03 0.28 -3.33 0.00 0.00 175.10 171.83 1afb s THR 114 N -1.02 0.25 -1.86 5.04 -1.32 -1.26 -0.81 115.64 114.66 1afb s THR 114 Ca -0.11 -1.65 0.17 0.00 -1.21 0.00 0.00 61.69 58.89 1afb s THR 114 Cb -0.05 -1.29 0.24 0.00 -1.51 0.00 0.00 72.50 69.89 1afb s THR 114 CO 0.03 -0.89 1.15 -0.46 -2.21 0.00 0.00 174.62 172.24 1afb n ASN 115 N 0.39 2.72 -1.36 8.08 6.94 -1.26 -4.96 115.26 125.82 1afb n ASN 115 Ca -0.16 -1.80 -0.15 0.00 -0.02 0.00 0.00 54.58 52.46 1afb n ASN 115 Cb 0.60 -0.11 -0.04 0.00 -2.36 0.00 0.00 39.78 37.87 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 0.97 -0.31 -3.62 -2.53 8.25 -1.26 -5.00 115.22 111.72 1afb n HIS 116 Ca 0.12 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.21 1afb n HIS 116 Cb 0.45 -2.80 -0.06 0.00 1.12 0.00 0.00 29.99 28.70 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 -3.89 3.84 -0.17 -0.41 2.12 -1.26 -4.94 118.70 113.99 1afb s GLU 117 Ca 0.00 0.20 -0.08 0.00 0.36 0.00 0.00 54.97 55.45 1afb s GLU 117 Cb 0.00 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 1afb s GLU 117 CO 0.00 0.63 0.11 1.03 -0.54 0.00 0.00 175.26 176.49 1afb s ARG 118 N -0.77 3.85 0.19 4.30 0.52 -1.26 -0.98 118.95 124.80 1afb s ARG 118 Ca 0.20 -0.23 -0.22 0.00 -0.52 0.00 0.00 55.73 54.95 1afb s ARG 118 Cb -0.15 -3.27 0.06 0.00 0.52 0.00 0.00 34.95 32.11 1afb s ARG 118 CO 0.09 0.46 0.63 0.00 0.02 0.00 0.00 175.30 176.50 1afb s MET 119 N -0.13 1.41 0.82 3.54 0.23 -0.21 -4.75 119.30 120.21 1afb s MET 119 Ca 0.09 -0.60 -0.12 0.00 -1.03 0.00 0.00 55.69 54.03 1afb s MET 119 Cb -0.12 0.59 0.09 0.00 -1.53 0.00 0.00 34.83 33.87 1afb s MET 119 CO 0.00 -0.63 1.17 -2.14 -2.03 0.00 0.00 175.02 171.40 1afb s PRO 120 N -3.79 1.61 0.35 3.16 0.02 -1.24 -1.88 135.00 133.23 1afb s PRO 120 Ca 0.04 1.63 0.10 0.00 0.02 0.00 0.00 61.00 62.79 1afb s PRO 120 Cb -0.02 -1.79 0.87 0.00 0.02 0.00 0.00 34.50 33.58 1afb s PRO 120 CO -0.08 -2.21 1.82 0.35 -0.33 0.00 0.00 177.00 176.55 1afb h PHE 121 N -1.11 0.85 -0.68 6.54 3.57 -1.52 -0.89 116.94 123.70 1afb h PHE 121 Ca -0.45 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1afb h PHE 121 Cb 1.28 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 1afb h PHE 121 CO 0.49 0.22 0.35 0.77 -2.23 0.00 0.00 178.31 177.91 1afb h SER 122 N 0.64 0.85 -0.25 0.41 0.02 -1.91 -1.38 113.55 111.93 1afb h SER 122 Ca 0.52 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 61.27 1afb h SER 122 Cb 0.96 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 1afb h SER 122 CO -0.28 0.70 -0.33 0.11 -1.14 0.00 0.00 176.83 175.90 1afb h LYS 123 N 0.95 0.66 -0.41 3.45 1.79 -1.52 -2.41 116.57 119.09 1afb h LYS 123 Ca 0.24 -0.38 0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1afb h LYS 123 Cb 0.06 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 1afb h LYS 123 CO -0.04 0.99 0.25 0.28 -1.08 0.00 0.00 179.45 179.86 1afb h VAL 124 N 0.38 1.06 -0.30 0.50 2.07 -1.06 0.27 116.25 119.18 1afb h VAL 124 Ca 0.03 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.41 1afb h VAL 124 Cb 0.91 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1afb h VAL 124 CO 0.08 0.09 0.11 0.11 0.02 0.00 0.00 177.57 177.98 1afb h LYS 125 N 0.51 0.24 -0.55 1.57 1.57 -1.22 -0.98 116.57 117.72 1afb h LYS 125 Ca 0.16 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1afb h LYS 125 Cb -0.02 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1afb h LYS 125 CO -0.06 0.16 0.22 0.00 -0.57 0.00 0.00 179.45 179.20 1afb h ALA 126 N 1.18 0.71 0.12 3.86 0.00 -1.07 -1.93 119.26 122.13 1afb h ALA 126 Ca 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1afb h ALA 126 Cb 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1afb h ALA 126 CO -0.13 0.32 -0.06 1.25 0.00 0.00 0.00 179.25 180.64 1afb h LEU 127 N 0.75 -0.13 -1.31 0.00 5.85 -0.65 -1.68 115.31 118.14 1afb h LEU 127 Ca 0.18 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1afb h LEU 127 Cb 0.20 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1afb h LEU 127 CO -0.02 0.02 0.37 0.00 -0.34 0.00 0.00 178.44 178.47 1afb h SER 129 N 0.85 1.07 -0.48 0.00 0.02 -1.17 0.14 113.55 113.98 1afb h SER 129 Ca 0.22 -0.26 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1afb h SER 129 Cb -0.02 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 1afb h SER 129 CO -0.04 1.06 0.32 -0.08 -1.14 0.00 0.00 176.83 176.95 1afb h GLU 130 N 1.04 0.59 -0.03 3.45 4.81 -0.75 0.39 114.58 124.09 1afb h GLU 130 Ca 0.21 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1afb h GLU 130 Cb 0.44 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1afb h GLU 130 CO 0.01 0.39 0.00 1.28 -0.73 0.00 0.00 179.01 179.97 1afb n LEU 131 N -4.47 0.77 -2.33 1.64 4.77 -0.88 -4.90 117.00 111.60 1afb n LEU 131 Ca 0.05 -0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 55.60 1afb n LEU 131 Cb 0.09 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1afb n LEU 131 CO 0.35 0.14 0.10 0.54 -1.33 0.00 0.00 177.39 177.19 1afb n ARG 132 N -0.37 -4.44 -1.48 3.23 5.12 0.13 -5.02 116.66 113.83 1afb n ARG 132 Ca 0.20 0.55 0.00 0.00 -1.93 0.00 0.00 57.85 56.67 1afb n ARG 132 Cb 0.22 -4.72 0.00 0.00 -1.16 0.00 0.00 32.46 26.81 1afb n ARG 132 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1afb n GLY 133 N -1.40 4.72 3.24 -0.13 0.00 0.44 -5.00 105.19 107.07 1afb n GLY 133 Ca -0.02 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.15 0.60 0.08 2.61 -4.23 -0.99 -3.66 115.64 108.91 1afb s THR 134 Ca 0.00 -1.97 -0.31 0.00 -1.18 0.00 0.00 61.69 58.23 1afb s THR 134 Cb 0.00 -2.16 -0.07 0.00 1.34 0.00 0.00 72.50 71.61 1afb s THR 134 CO 0.00 -0.43 1.38 -0.69 -0.54 0.00 0.00 174.62 174.35 1afb s VAL 135 N -3.71 3.46 0.02 2.29 1.01 -1.26 -0.61 120.40 121.60 1afb s VAL 135 Ca 0.25 1.01 -0.34 0.00 0.00 0.00 0.00 61.98 62.90 1afb s VAL 135 Cb 0.06 -3.65 -0.17 0.00 0.00 0.00 0.00 36.38 32.62 1afb s VAL 135 CO 0.05 0.06 0.89 0.00 0.00 0.00 0.00 175.10 176.10 1afb n ALA 136 N 4.31 -3.21 -3.73 5.51 0.00 -0.53 -3.68 120.51 119.17 1afb n ALA 136 Ca 0.12 0.51 -0.27 0.00 0.00 0.00 0.00 53.44 53.80 1afb n ALA 136 Cb 0.43 -1.53 -0.17 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.09 0.50 -0.18 0.00 1.01 -1.26 -0.60 121.20 120.58 1afb s ILE 137 Ca 0.78 -0.51 -0.27 0.00 0.00 0.00 0.00 60.65 60.64 1afb s ILE 137 Cb -1.09 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 1afb s ILE 137 CO 0.50 -0.19 0.93 -2.16 0.00 0.00 0.00 174.94 174.02 1afb s PRO 138 N 1.87 4.31 0.00 2.79 0.04 -1.26 -4.92 135.00 137.83 1afb s PRO 138 Ca -0.01 1.19 0.10 0.00 0.04 0.00 0.00 61.00 62.32 1afb s PRO 138 Cb -0.17 -3.59 0.26 0.00 0.04 0.00 0.00 34.50 31.04 1afb s PRO 138 CO -0.08 -0.42 1.18 0.54 0.04 0.00 0.00 177.00 178.26 1afb n ARG 139 N 5.53 2.54 -3.71 4.56 1.74 -1.26 -4.83 116.66 121.23 1afb n ARG 139 Ca 0.08 -1.89 0.00 0.00 -0.77 0.00 0.00 57.85 55.26 1afb n ARG 139 Cb 0.48 -1.25 -0.00 0.00 -1.02 0.00 0.00 32.46 30.67 1afb n ARG 139 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1afb s ASN 140 N -0.98 -0.07 0.24 0.55 2.20 -1.26 -4.70 114.94 110.91 1afb s ASN 140 Ca 0.21 -0.25 -0.05 0.00 -0.94 0.00 0.00 52.86 51.83 1afb s ASN 140 Cb 0.11 0.26 0.38 0.00 -2.00 0.00 0.00 41.25 40.01 1afb s ASN 140 CO 0.15 -0.50 1.79 0.00 -2.94 0.00 0.00 177.10 175.61 1afb h ALA 141 N 2.00 1.11 -0.04 3.54 0.00 -1.98 -1.60 119.26 122.29 1afb h ALA 141 Ca -0.28 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1afb h ALA 141 Cb 1.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1afb h ALA 141 CO 0.29 0.03 0.03 0.93 0.00 0.00 0.00 179.25 180.52 1afb h GLU 142 N 0.71 0.06 0.00 0.00 3.07 -2.00 -1.46 114.58 114.96 1afb h GLU 142 Ca 0.38 -0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.19 1afb h GLU 142 Cb 0.39 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1afb h GLU 142 CO -0.26 0.08 -0.25 0.93 -1.40 0.00 0.00 179.01 178.11 1afb h GLU 143 N 0.02 0.00 -0.17 2.33 5.08 -1.90 -1.62 114.58 118.32 1afb h GLU 143 Ca 0.02 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1afb h GLU 143 Cb 0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1afb h GLU 143 CO -0.00 0.25 -0.10 -0.97 -1.00 0.00 0.00 179.01 177.18 1afb h ASN 144 N 0.00 0.39 -0.72 1.42 -1.24 -0.85 -1.61 115.58 112.97 1afb h ASN 144 Ca -0.00 -0.43 -0.06 0.00 0.71 0.00 0.00 56.30 56.52 1afb h ASN 144 Cb 0.47 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.38 1afb h ASN 144 CO 0.03 0.73 0.21 0.50 -1.29 0.00 0.00 177.43 177.61 1afb h LYS 145 N 0.05 1.14 -0.17 6.67 3.64 -1.01 -1.01 116.57 125.88 1afb h LYS 145 Ca 0.04 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1afb h LYS 145 Cb 0.59 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1afb h LYS 145 CO 0.03 0.98 0.10 0.00 -2.27 0.00 0.00 179.45 178.29 1afb h ALA 146 N 1.10 0.21 -0.34 5.00 0.00 -1.20 -0.57 119.26 123.46 1afb h ALA 146 Ca 0.23 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1afb h ALA 146 Cb 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1afb h ALA 146 CO -0.00 -0.32 0.05 0.82 0.00 0.00 0.00 179.25 179.79 1afb h ILE 147 N 0.21 1.24 -0.26 0.00 2.04 -1.20 -2.12 117.51 117.42 1afb h ILE 147 Ca 0.06 -0.86 0.06 0.00 1.00 0.00 0.00 64.86 65.12 1afb h ILE 147 Cb -0.01 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 1afb h ILE 147 CO -0.02 0.29 -0.11 -0.61 0.00 0.00 0.00 178.15 177.69 1afb h GLN 148 N 0.40 -0.06 -0.31 2.37 4.15 -0.93 0.55 115.11 121.28 1afb h GLN 148 Ca 0.10 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 1afb h GLN 148 Cb 0.37 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 1afb h GLN 148 CO 0.01 -0.04 0.05 0.93 -1.93 0.00 0.00 178.83 177.84 1afb h GLU 149 N -0.06 0.46 0.09 1.69 5.08 -1.04 0.10 114.58 120.90 1afb h GLU 149 Ca 0.13 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1afb h GLU 149 Cb 0.27 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1afb h GLU 149 CO -0.30 0.45 -0.04 0.28 -1.00 0.00 0.00 179.01 178.39 1afb h VAL 150 N 0.45 1.15 -0.25 3.13 2.07 -0.64 -3.34 116.25 118.83 1afb h VAL 150 Ca 0.10 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 1afb h VAL 150 Cb 0.22 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1afb h VAL 150 CO 0.00 0.26 0.06 0.00 0.02 0.00 0.00 177.57 177.91 1afb h ALA 151 N 0.18 0.33 -0.21 1.67 0.00 -0.78 -3.46 119.26 116.98 1afb h ALA 151 Ca -0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1afb h ALA 151 Cb 0.51 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1afb h ALA 151 CO 0.02 -0.02 -0.08 1.63 0.00 0.00 0.00 179.25 180.80 1afb n LYS 152 N -4.72 -1.84 -3.63 0.00 5.02 0.34 -4.85 118.16 108.49 1afb n LYS 152 Ca -0.03 0.65 -0.06 0.00 -2.02 0.00 0.00 58.31 56.85 1afb n LYS 152 Cb 0.18 -5.09 -0.02 0.00 -0.02 0.00 0.00 35.03 30.08 1afb n LYS 152 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1afb s THR 153 N -1.40 0.00 -0.10 -0.18 -1.32 -1.26 -4.94 115.64 106.44 1afb s THR 153 Ca 0.00 -0.32 -0.37 0.00 -1.21 0.00 0.00 61.69 59.79 1afb s THR 153 Cb 0.00 -1.51 -0.14 0.00 -1.51 0.00 0.00 72.50 69.34 1afb s THR 153 CO 0.00 0.00 1.70 -1.54 -2.21 0.00 0.00 174.62 172.57 1afb n SER 154 N -0.36 2.72 -4.10 8.08 3.41 -1.26 -4.71 113.62 117.41 1afb n SER 154 Ca -0.07 1.05 -0.17 0.00 -0.26 0.00 0.00 58.87 59.42 1afb n SER 154 Cb 0.61 -1.26 -0.12 0.00 -0.26 0.00 0.00 64.21 63.18 1afb n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1afb s ALA 155 N 2.89 0.87 0.44 7.33 0.00 -0.72 -1.73 121.76 130.85 1afb s ALA 155 Ca 0.92 -0.78 -0.23 0.00 0.00 0.00 0.00 51.96 51.87 1afb s ALA 155 Cb -0.87 -0.07 -0.08 0.00 0.00 0.00 0.00 23.12 22.09 1afb s ALA 155 CO 0.54 0.11 1.12 -0.06 0.00 0.00 0.00 175.76 177.47 1afb s PHE 156 N -1.06 3.01 0.25 0.00 0.08 -1.05 -0.96 117.98 118.25 1afb s PHE 156 Ca -0.03 1.57 0.09 0.00 0.12 0.00 0.00 56.93 58.68 1afb s PHE 156 Cb -0.08 -3.28 -0.04 0.00 -0.57 0.00 0.00 43.02 39.04 1afb s PHE 156 CO 0.01 -1.19 -0.01 -0.51 -0.10 0.00 0.00 175.22 173.42 1afb s LEU 157 N -2.93 3.18 -1.45 -0.37 1.43 -0.25 -4.60 118.68 113.69 1afb s LEU 157 Ca 0.62 -0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 53.01 1afb s LEU 157 Cb -0.26 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 1afb s LEU 157 CO 0.32 0.02 2.80 0.61 0.23 0.00 0.00 176.35 180.32 1afb n GLY 158 N -0.75 4.53 2.85 -3.19 0.00 0.23 -4.60 105.19 104.25 1afb n GLY 158 Ca -0.07 -1.68 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 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 0.94 0.04 -0.03 -0.61 1.01 -1.26 -1.00 121.20 120.29 1afb s ILE 159 Ca 0.64 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 61.05 1afb s ILE 159 Cb 0.19 -0.09 0.06 0.00 0.01 0.00 0.00 42.46 42.64 1afb s ILE 159 CO -0.07 0.05 0.63 0.28 0.00 0.00 0.00 174.94 175.83 1afb s THR 160 N 0.37 0.01 -0.26 2.92 -1.32 0.19 -3.37 115.64 114.18 1afb s THR 160 Ca -0.03 -0.06 0.09 0.00 -1.21 0.00 0.00 61.69 60.48 1afb s THR 160 Cb -0.05 -0.96 0.44 0.00 -1.51 0.00 0.00 72.50 70.43 1afb s THR 160 CO -0.01 -0.03 1.26 -0.90 -2.21 0.00 0.00 174.62 172.72 1afb n ASP 161 N 0.88 3.06 -0.18 8.08 5.75 -0.48 0.30 116.55 133.96 1afb n ASP 161 Ca -0.19 -3.84 -0.04 0.00 -0.01 0.00 0.00 54.79 50.71 1afb n ASP 161 Cb 0.57 -0.49 0.06 0.00 -1.03 0.00 0.00 41.12 40.24 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 1.44 0.49 0.17 0.11 5.08 -1.85 -3.22 114.58 116.80 1afb h GLU 162 Ca 0.17 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1afb h GLU 162 Cb 1.26 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1afb h GLU 162 CO 0.35 0.33 -0.08 0.28 -1.00 0.00 0.00 179.01 178.88 1afb h VAL 163 N 0.51 0.00 -3.42 3.13 2.07 -1.89 -3.43 116.25 113.21 1afb h VAL 163 Ca 0.24 -0.04 -0.67 0.00 0.82 0.00 0.00 66.70 67.05 1afb h VAL 163 Cb 0.16 0.00 -0.36 0.00 -1.52 0.00 0.00 31.29 29.57 1afb h VAL 163 CO -0.17 0.00 -0.83 -0.89 0.02 0.00 0.00 177.57 175.70 1afb s THR 164 N -3.17 2.11 0.13 2.57 2.01 -1.22 -5.09 115.64 112.98 1afb s THR 164 Ca -0.03 -1.25 -0.35 0.00 0.31 0.00 0.00 61.69 60.37 1afb s THR 164 Cb 0.00 -2.05 -0.16 0.00 0.01 0.00 0.00 72.50 70.30 1afb s THR 164 CO 0.10 0.28 1.28 1.21 -0.69 0.00 0.00 174.62 176.80 1afb n GLU 165 N 4.53 1.24 0.00 4.92 4.07 -1.22 -0.88 120.64 133.31 1afb n GLU 165 Ca -0.18 0.45 0.00 0.00 -0.06 0.00 0.00 57.16 57.37 1afb n GLU 165 Cb 0.46 -2.03 0.00 0.00 -0.06 0.00 0.00 31.44 29.81 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 2.34 2.62 3.19 8.31 0.00 -1.26 -4.95 105.19 115.44 1afb n GLY 166 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1afb n GLY 166 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1afb s GLN 167 N -0.18 3.25 0.05 1.61 0.74 -0.06 -5.05 119.66 120.03 1afb s GLN 167 Ca 0.00 -2.80 -0.31 0.00 0.05 0.00 0.00 55.36 52.30 1afb s GLN 167 Cb 0.00 -4.09 -0.06 0.00 1.10 0.00 0.00 33.01 29.97 1afb s GLN 167 CO 0.00 -1.24 1.22 -0.06 -0.55 0.00 0.00 175.29 174.66 1afb s PHE 168 N -0.51 3.38 0.13 1.67 0.08 -1.26 -4.27 117.98 117.21 1afb s PHE 168 Ca 0.22 1.25 0.09 0.00 0.12 0.00 0.00 56.93 58.61 1afb s PHE 168 Cb -0.13 -3.45 -0.04 0.00 -0.57 0.00 0.00 43.02 38.84 1afb s PHE 168 CO -0.08 -1.39 -0.21 -1.64 -0.10 0.00 0.00 175.22 171.80 1afb s MET 169 N 1.20 1.25 0.37 0.44 -1.94 0.15 -1.41 119.30 119.36 1afb s MET 169 Ca 0.59 -1.30 -0.24 0.00 -1.71 0.00 0.00 55.69 53.03 1afb s MET 169 Cb -0.30 -1.49 -0.10 0.00 2.01 0.00 0.00 34.83 34.95 1afb s MET 169 CO 0.29 0.33 0.96 0.71 -0.01 0.00 0.00 175.02 177.30 1afb s TYR 170 N -1.47 3.52 -0.03 -0.03 2.02 -0.28 -0.64 117.35 120.45 1afb s TYR 170 Ca 0.12 1.71 0.30 0.00 -0.37 0.00 0.00 57.07 58.83 1afb s TYR 170 Cb -0.08 -2.92 1.44 0.00 -0.40 0.00 0.00 41.96 39.99 1afb s TYR 170 CO 0.06 0.01 1.90 -0.39 -1.57 0.00 0.00 175.55 175.56 1afb h VAL 171 N 2.33 0.00 -0.31 0.71 -1.51 -1.42 0.23 116.25 116.29 1afb h VAL 171 Ca -0.48 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 1afb h VAL 171 Cb 1.19 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1afb h VAL 171 CO 0.63 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.32 1afb n THR 172 N -2.60 0.39 0.00 7.19 -2.24 -1.26 -5.05 114.28 110.72 1afb n THR 172 Ca -0.00 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1afb n THR 172 Cb 0.15 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 1.36 1.69 0.00 3.38 0.00 0.82 -5.15 105.19 107.29 1afb n GLY 173 Ca 0.18 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 1.64 1.50 3.79 -0.02 0.00 -1.26 -4.32 105.19 106.51 1afb n GLY 174 Ca 0.00 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 1afb n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1afb s ARG 175 N -4.09 3.97 0.29 1.61 0.52 -1.26 -1.13 118.95 118.86 1afb s ARG 175 Ca 0.00 1.47 -0.30 0.00 -0.52 0.00 0.00 55.73 56.39 1afb s ARG 175 Cb 0.00 -2.34 -0.13 0.00 0.52 0.00 0.00 34.95 33.00 1afb s ARG 175 CO 0.00 -0.30 1.35 -0.11 0.02 0.00 0.00 175.30 176.26 1afb n LEU 176 N -0.49 3.33 0.00 2.53 7.94 -0.50 -4.83 117.00 124.98 1afb n LEU 176 Ca 0.07 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 1afb n LEU 176 Cb 0.51 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 43.00 1afb n LEU 176 CO 0.43 -0.49 0.00 0.35 -1.11 0.00 0.00 177.39 176.57 1afb n THR 177 N 1.14 0.00 -2.10 1.96 -2.24 -1.26 -5.04 114.28 106.74 1afb n THR 177 Ca 0.08 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.47 1afb n THR 177 Cb 0.34 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.29 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 0.00 2.85 0.09 4.78 5.04 -1.26 -5.03 117.35 123.82 1afb s TYR 178 Ca 0.00 1.44 -0.15 0.00 -2.44 0.00 0.00 57.07 55.92 1afb s TYR 178 Cb 0.00 -3.61 0.03 0.00 0.35 0.00 0.00 41.96 38.72 1afb s TYR 178 CO 0.00 -1.95 0.35 -1.54 -1.34 0.00 0.00 175.55 171.07 1afb s SER 179 N -0.84 -0.17 -0.34 4.32 1.04 -1.26 -4.95 113.70 111.50 1afb s SER 179 Ca 0.58 -0.28 0.16 0.00 0.48 0.00 0.00 55.95 56.88 1afb s SER 179 Cb -0.36 0.42 0.42 0.00 0.10 0.00 0.00 66.02 66.60 1afb s SER 179 CO 0.46 -0.75 0.92 -3.20 0.98 0.00 0.00 173.24 171.65 1afb n ASN 180 N 0.10 1.00 -4.77 7.02 5.15 -1.26 -5.08 115.26 117.43 1afb n ASN 180 Ca -0.17 -2.80 -0.40 0.00 -0.60 0.00 0.00 54.58 50.61 1afb n ASN 180 Cb 0.62 -0.41 0.00 0.00 -0.53 0.00 0.00 39.78 39.46 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 -2.67 2.63 0.62 1.20 0.52 -1.26 0.57 118.94 120.54 1afb s TRP 181 Ca 0.30 1.30 -0.14 0.00 0.02 0.00 0.00 56.10 57.58 1afb s TRP 181 Cb 0.42 -3.84 -0.03 0.00 -1.15 0.00 0.00 33.47 28.88 1afb s TRP 181 CO -0.00 -2.60 1.05 0.15 0.02 0.00 0.00 176.95 175.57 1afb s LYS 182 N -2.28 3.26 0.27 4.98 1.02 -0.27 -4.67 119.74 122.04 1afb s LYS 182 Ca 0.58 1.11 -0.30 0.00 0.02 0.00 0.00 55.97 57.37 1afb s LYS 182 Cb -0.42 -2.03 -0.11 0.00 -0.52 0.00 0.00 37.83 34.75 1afb s LYS 182 CO 0.55 -0.85 1.60 -1.59 -0.92 0.00 0.00 175.35 174.14 1afb s LYS 183 N -4.36 4.14 0.00 1.68 -2.85 -1.26 -1.50 119.74 115.59 1afb s LYS 183 Ca 0.62 2.55 0.00 0.00 -1.00 0.00 0.00 55.97 58.13 1afb s LYS 183 Cb -0.15 -3.05 0.00 0.00 -2.06 0.00 0.00 37.83 32.57 1afb s LYS 183 CO 0.42 -0.64 0.00 -0.25 0.10 0.00 0.00 175.35 174.98 1afb n ASP 184 N 2.63 -1.75 -4.42 0.03 8.00 -1.26 -5.05 116.55 114.74 1afb n ASP 184 Ca 0.10 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.29 1afb n ASP 184 Cb 0.37 -0.29 -0.13 0.00 -0.02 0.00 0.00 41.12 41.05 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 -0.22 1.98 0.50 -1.24 -1.52 -0.56 -3.96 119.66 114.63 1afb s GLN 185 Ca 0.00 -1.02 -0.19 0.00 -1.95 0.00 0.00 55.36 52.20 1afb s GLN 185 Cb 0.00 -2.11 -0.08 0.00 -0.22 0.00 0.00 33.01 30.59 1afb s GLN 185 CO 0.00 0.53 1.01 -1.25 -0.25 0.00 0.00 175.29 175.34 1afb s PRO 186 N -1.36 3.83 0.00 2.91 0.04 -1.26 -4.58 135.00 134.58 1afb s PRO 186 Ca 0.13 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1afb s PRO 186 Cb -0.10 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1afb s PRO 186 CO 0.04 -0.39 0.33 -0.40 0.04 0.00 0.00 177.00 176.62 1afb n ASP 187 N -1.18 0.66 -4.17 6.66 5.75 -1.25 -5.04 116.55 117.97 1afb n ASP 187 Ca 0.08 -0.98 -0.32 0.00 -0.01 0.00 0.00 54.79 53.57 1afb n ASP 187 Cb 0.53 0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.60 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 -0.02 -1.18 -4.68 -1.12 2.03 -1.26 -4.85 116.55 105.46 1afb n ASP 188 Ca 0.00 -1.09 -0.44 0.00 0.52 0.00 0.00 54.79 53.79 1afb n ASP 188 Cb 0.08 -2.53 -0.02 0.00 -0.72 0.00 0.00 41.12 37.93 1afb n ASP 188 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1afb n TRP 189 N -4.40 2.16 0.06 -0.67 -0.00 -1.26 -4.10 117.44 109.23 1afb n TRP 189 Ca -0.15 0.51 0.06 0.00 -0.00 0.00 0.00 57.50 57.92 1afb n TRP 189 Cb 0.60 -2.42 -0.09 0.00 -0.00 0.00 0.00 31.31 29.40 1afb n TRP 189 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 1afb n TYR 190 N 1.02 0.00 1.27 5.87 4.02 -1.26 -3.18 117.16 124.90 1afb n TYR 190 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 1afb n TYR 190 Cb 0.34 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 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 1.75 -0.51 0.23 2.72 0.00 -1.26 -3.54 105.19 104.58 1afb n GLY 191 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1afb n GLY 191 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1afb h HIS 192 N 0.03 0.00 -0.67 1.61 2.07 -1.91 -3.48 115.15 112.81 1afb h HIS 192 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 1afb h HIS 192 Cb 0.03 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.01 1afb h HIS 192 CO 0.00 0.14 -0.02 0.41 -3.07 0.00 0.00 177.93 175.38 1afb n GLY 193 N 0.52 0.63 0.00 6.13 0.00 -1.23 -4.94 105.19 106.30 1afb n GLY 193 Ca 0.02 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1afb n GLY 193 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1afb n LEU 194 N -0.41 0.00 0.00 0.99 4.77 -1.26 -5.11 117.00 115.98 1afb n LEU 194 Ca -0.00 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1afb n LEU 194 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1afb n LEU 194 CO 0.02 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1afb n GLY 195 N 1.31 1.35 0.00 -0.72 0.00 -1.26 -5.08 105.19 100.79 1afb n GLY 195 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 2.12 -1.19 0.00 -0.02 0.00 -1.26 -4.98 105.19 99.86 1afb n GLY 196 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.07 0.61 2.75 -0.02 0.00 -1.26 -4.51 105.19 101.68 1afb n GLY 197 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.60 0.76 0.00 1.61 2.02 -1.19 -4.35 118.70 120.15 1afb s GLU 198 Ca 0.00 -0.72 0.14 0.00 0.02 0.00 0.00 54.97 54.41 1afb s GLU 198 Cb 0.00 -2.08 0.09 0.00 0.10 0.00 0.00 34.13 32.24 1afb s GLU 198 CO 0.00 -0.78 0.91 -0.25 0.02 0.00 0.00 175.26 175.17 1afb n ASP 199 N 4.94 2.04 -4.78 -0.19 8.00 -1.07 -4.58 116.55 120.92 1afb n ASP 199 Ca -0.07 -1.52 -0.24 0.00 0.71 0.00 0.00 54.79 53.68 1afb n ASP 199 Cb 0.45 0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.57 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 -2.57 1.09 0.03 0.00 1.01 -1.22 0.00 120.40 118.74 1afb s VAL 201 Ca 0.42 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.88 1afb s VAL 201 Cb 0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1afb s VAL 201 CO 0.24 0.31 -0.17 0.42 0.00 0.00 0.00 175.10 175.89 1afb s THR 202 N -0.26 1.39 -0.25 3.92 -4.23 -0.39 -1.09 115.64 114.73 1afb s THR 202 Ca 0.04 -1.04 -0.15 0.00 -1.18 0.00 0.00 61.69 59.36 1afb s THR 202 Cb -0.06 -1.22 -0.04 0.00 1.34 0.00 0.00 72.50 72.52 1afb s THR 202 CO -0.00 0.16 0.36 -0.51 -0.54 0.00 0.00 174.62 174.08 1afb s ILE 203 N -0.75 5.20 0.69 2.99 2.07 -0.13 -1.48 121.20 129.78 1afb s ILE 203 Ca 0.05 0.56 -0.04 0.00 -1.41 0.00 0.00 60.65 59.81 1afb s ILE 203 Cb -0.08 -3.69 0.08 0.00 0.13 0.00 0.00 42.46 38.90 1afb s ILE 203 CO 0.01 0.20 0.97 0.68 -1.91 0.00 0.00 174.94 174.89 1afb s VAL 204 N 1.80 2.33 0.32 4.00 -7.23 0.57 -1.75 120.40 120.43 1afb s VAL 204 Ca 0.15 -0.41 0.09 0.00 -1.81 0.00 0.00 61.98 60.00 1afb s VAL 204 Cb -0.15 -2.91 0.34 0.00 0.56 0.00 0.00 36.38 34.22 1afb s VAL 204 CO 0.09 0.00 1.62 0.44 -0.31 0.00 0.00 175.10 176.94 1afb h ASP 205 N -0.49 0.10 0.00 4.85 5.19 -1.87 0.28 116.42 124.48 1afb h ASP 205 Ca -0.42 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 1afb h ASP 205 Cb 1.30 0.28 0.00 0.00 0.18 0.00 0.00 39.33 41.08 1afb h ASP 205 CO 0.53 -0.25 0.00 -0.46 -3.12 0.00 0.00 179.24 175.94 1afb n ASN 206 N -5.24 0.00 0.00 6.45 0.23 -1.26 -4.87 115.26 110.57 1afb n ASN 206 Ca 0.28 -1.24 0.00 0.00 -0.53 0.00 0.00 54.58 53.08 1afb n ASN 206 Cb 0.90 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.60 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 0.74 2.21 3.81 4.83 0.00 0.98 -5.04 105.19 112.71 1afb n GLY 207 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 2.32 0.25 0.99 1.43 -1.26 -4.67 118.68 117.75 1afb s LEU 208 Ca 0.00 1.10 0.08 0.00 -1.03 0.00 0.00 54.13 54.28 1afb s LEU 208 Cb 0.00 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 1afb s LEU 208 CO 0.00 -2.22 0.12 0.26 0.23 0.00 0.00 176.35 174.74 1afb s TRP 209 N -3.25 2.95 -0.23 0.29 0.52 0.19 -0.32 118.94 119.10 1afb s TRP 209 Ca 0.62 -0.15 -0.14 0.00 0.02 0.00 0.00 56.10 56.45 1afb s TRP 209 Cb -0.14 -1.33 0.07 0.00 -1.15 0.00 0.00 33.47 30.92 1afb s TRP 209 CO 0.53 0.56 0.56 1.21 0.02 0.00 0.00 176.95 179.83 1afb s ASN 210 N -3.74 -0.72 0.32 2.95 2.47 -0.55 -1.11 114.94 114.57 1afb s ASN 210 Ca 0.32 1.21 -0.27 0.00 0.42 0.00 0.00 52.86 54.54 1afb s ASN 210 Cb -0.07 1.11 -0.09 0.00 -1.45 0.00 0.00 41.25 40.74 1afb s ASN 210 CO 0.23 -0.21 1.04 1.51 -3.72 0.00 0.00 177.10 175.94 1afb s ASP 211 N 1.32 7.14 0.18 -4.21 -4.77 -1.26 -1.27 116.67 113.80 1afb s ASP 211 Ca -0.08 2.08 -0.04 0.00 -3.30 0.00 0.00 52.55 51.21 1afb s ASP 211 Cb -0.06 -2.60 -0.03 0.00 -1.09 0.00 0.00 42.92 39.14 1afb s ASP 211 CO -0.14 -0.22 0.19 -0.51 0.70 0.00 0.00 175.17 175.19 1afb s ILE 212 N -1.41 0.04 0.16 2.11 1.10 0.10 -4.91 121.20 118.39 1afb s ILE 212 Ca 0.50 -1.78 -0.31 0.00 -0.51 0.00 0.00 60.65 58.54 1afb s ILE 212 Cb -0.26 -2.22 -0.09 0.00 0.15 0.00 0.00 42.46 40.04 1afb s ILE 212 CO 0.33 -0.18 1.49 -0.55 -2.11 0.00 0.00 174.94 173.91 1afb s SER 213 N -3.07 6.68 0.48 4.50 0.15 -1.26 -1.13 113.70 120.04 1afb s SER 213 Ca 0.29 2.53 0.32 0.00 0.70 0.00 0.00 55.95 59.79 1afb s SER 213 Cb 0.05 -2.60 1.55 0.00 -1.71 0.00 0.00 66.02 63.32 1afb s SER 213 CO 0.07 -0.75 1.97 0.00 1.20 0.00 0.00 173.24 175.73 1afb h GLN 215 N 0.00 0.00 -7.26 0.00 4.20 -1.95 -2.18 115.11 107.92 1afb h GLN 215 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 1afb h GLN 215 Cb 0.23 0.00 0.17 0.00 0.30 0.00 0.00 27.48 28.18 1afb h GLN 215 CO 0.00 0.41 0.29 0.00 -0.67 0.00 0.00 178.83 178.86 1afb s ALA 216 N -3.15 1.85 -0.37 3.87 0.00 -0.71 -4.57 121.76 118.69 1afb s ALA 216 Ca 0.03 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 1afb s ALA 216 Cb 0.08 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1afb s ALA 216 CO 0.72 -2.26 0.22 -1.12 0.00 0.00 0.00 175.76 173.31 1afb s SER 217 N -2.72 5.80 0.30 0.00 0.01 -1.26 -3.67 113.70 112.16 1afb s SER 217 Ca 0.67 -0.85 0.05 0.00 1.31 0.00 0.00 55.95 57.13 1afb s SER 217 Cb -0.23 -2.06 -0.06 0.00 0.21 0.00 0.00 66.02 63.89 1afb s SER 217 CO 0.54 -0.36 -0.00 -1.00 0.41 0.00 0.00 173.24 172.83 1afb s HIS 218 N 1.60 1.94 0.29 2.43 3.76 -0.79 -4.53 115.29 120.00 1afb s HIS 218 Ca 0.03 -0.83 -0.30 0.00 -0.15 0.00 0.00 55.06 53.82 1afb s HIS 218 Cb -0.19 -1.19 -0.12 0.00 1.11 0.00 0.00 32.58 32.19 1afb s HIS 218 CO 0.08 0.14 1.62 0.99 -0.85 0.00 0.00 174.74 176.72 1afb s THR 219 N -3.16 2.00 -0.29 1.30 2.01 -0.71 -1.04 115.64 115.76 1afb s THR 219 Ca 0.32 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.10 1afb s THR 219 Cb 0.06 -3.00 -0.00 0.00 0.01 0.00 0.00 72.50 69.57 1afb s THR 219 CO 0.13 0.00 0.76 0.00 -0.69 0.00 0.00 174.62 174.82 1afb s ALA 220 N 0.07 3.55 -0.10 7.40 0.00 -0.15 -2.54 121.76 130.00 1afb s ALA 220 Ca 0.64 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.20 1afb s ALA 220 Cb -0.49 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.41 1afb s ALA 220 CO 0.47 -1.11 -0.11 0.08 0.00 0.00 0.00 175.76 175.10 1afb s VAL 221 N 2.86 1.18 0.19 0.00 1.01 -1.26 -3.98 120.40 120.39 1afb s VAL 221 Ca 0.31 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.92 1afb s VAL 221 Cb -0.14 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1afb s VAL 221 CO 0.11 0.38 0.08 0.00 0.00 0.00 0.00 175.10 175.68 1afb s GLU 223 N -3.20 1.15 0.10 0.00 -1.05 0.22 -1.18 118.70 114.74 1afb s GLU 223 Ca 0.30 -1.08 0.06 0.00 -0.15 0.00 0.00 54.97 54.10 1afb s GLU 223 Cb -0.09 -1.35 -0.03 0.00 -0.44 0.00 0.00 34.13 32.21 1afb s GLU 223 CO 0.22 0.32 -0.16 -0.06 0.95 0.00 0.00 175.26 176.53 1afb s PHE 224 N -1.08 1.43 0.82 4.83 0.40 0.68 -2.33 117.98 122.73 1afb s PHE 224 Ca 0.06 -0.48 -0.15 0.00 -0.60 0.00 0.00 56.93 55.76 1afb s PHE 224 Cb -0.10 -0.78 -0.01 0.00 0.51 0.00 0.00 43.02 42.64 1afb s PHE 224 CO 0.03 0.13 0.45 -2.30 0.70 0.00 0.00 175.22 174.23 1afb n PRO 225 N 0.99 0.07 0.00 0.24 -0.02 -1.26 -1.02 135.00 133.99 1afb n PRO 225 Ca -0.19 0.07 0.09 0.00 -2.02 0.00 0.00 63.50 61.45 1afb n PRO 225 Cb 0.55 -1.82 0.52 0.00 -0.02 0.00 0.00 33.50 32.73 1afb n PRO 225 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48