#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xb2 s GLN 67 N 0.00 0.78 0.39 0.54 0.74 0.63 -4.42 119.66 118.32 2xb2 s GLN 67 Ca 0.00 -0.04 -0.27 0.00 0.05 0.00 0.00 55.36 55.09 2xb2 s GLN 67 Cb 0.00 -1.27 -0.11 0.00 1.10 0.00 0.00 33.01 32.73 2xb2 s GLN 67 CO 0.00 -0.35 1.39 -2.13 -0.55 0.00 0.00 175.29 173.64 2xb2 n ARG 68 N 5.09 2.33 -1.75 1.67 0.63 -1.26 -4.71 116.66 118.67 2xb2 n ARG 68 Ca -0.08 0.82 -0.19 0.00 -0.92 0.00 0.00 57.85 57.48 2xb2 n ARG 68 Cb 0.49 -2.52 0.11 0.00 0.45 0.00 0.00 32.46 31.00 2xb2 n ARG 68 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2xb2 n SER 69 N 0.38 0.58 -0.33 6.15 7.64 0.37 -4.98 113.62 123.43 2xb2 n SER 69 Ca 0.04 -1.62 0.08 0.00 1.01 0.00 0.00 58.87 58.38 2xb2 n SER 69 Cb 0.39 -0.59 0.24 0.00 -1.01 0.00 0.00 64.21 63.24 2xb2 n SER 69 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2xb2 h VAL 70 N -1.00 0.82 0.00 0.44 3.04 -2.03 -3.24 116.25 114.28 2xb2 h VAL 70 Ca -0.27 -0.28 -0.07 0.00 -1.01 0.00 0.00 66.70 65.07 2xb2 h VAL 70 Cb 0.88 -0.07 -0.14 0.00 -2.01 0.00 0.00 31.29 29.94 2xb2 h VAL 70 CO 0.24 0.15 -0.63 -0.62 -1.01 0.00 0.00 177.57 175.70 2xb2 n GLU 71 N -4.73 0.73 -2.59 4.17 1.02 -1.26 -5.11 120.64 112.87 2xb2 n GLU 71 Ca 0.19 -2.39 0.00 0.00 -0.02 0.00 0.00 57.16 54.93 2xb2 n GLU 71 Cb 0.41 -0.84 0.00 0.00 -0.02 0.00 0.00 31.44 30.99 2xb2 n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2xb2 n GLY 72 N -0.40 -0.57 3.61 0.62 0.00 -1.23 -4.75 105.19 102.48 2xb2 n GLY 72 Ca 0.11 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 2xb2 n GLY 72 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2xb2 s TRP 73 N -2.63 3.12 -0.10 1.61 0.52 0.10 -0.48 118.94 121.08 2xb2 s TRP 73 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 56.10 56.13 2xb2 s TRP 73 Cb 0.00 -1.88 -0.03 0.00 -1.15 0.00 0.00 33.47 30.42 2xb2 s TRP 73 CO 0.00 0.26 -0.06 0.42 0.02 0.00 0.00 176.95 177.59 2xb2 s ILE 74 N -0.31 3.73 0.03 2.03 1.01 -1.26 -0.93 121.20 125.50 2xb2 s ILE 74 Ca 0.06 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.29 2xb2 s ILE 74 Cb -0.12 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 2xb2 s ILE 74 CO 0.02 0.56 -0.02 -0.76 0.00 0.00 0.00 174.94 174.75 2xb2 s LEU 75 N -0.39 3.42 -0.28 2.97 1.43 0.37 -1.53 118.68 124.67 2xb2 s LEU 75 Ca 0.06 -0.09 -0.07 0.00 -1.03 0.00 0.00 54.13 53.00 2xb2 s LEU 75 Cb -0.12 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 2xb2 s LEU 75 CO 0.02 0.25 0.07 0.12 0.23 0.00 0.00 176.35 177.04 2xb2 s PHE 76 N -1.13 3.12 -0.05 0.29 5.36 0.83 -2.59 117.98 123.80 2xb2 s PHE 76 Ca 0.21 -0.84 -0.03 0.00 -0.96 0.00 0.00 56.93 55.30 2xb2 s PHE 76 Cb -0.11 -2.24 -0.04 0.00 -0.34 0.00 0.00 43.02 40.29 2xb2 s PHE 76 CO 0.12 -0.52 0.11 0.08 -1.46 0.00 0.00 175.22 173.55 2xb2 s VAL 77 N 1.53 5.07 0.10 3.12 1.01 -0.07 -2.38 120.40 128.78 2xb2 s VAL 77 Ca 0.04 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.93 2xb2 s VAL 77 Cb -0.16 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2xb2 s VAL 77 CO 0.02 0.47 -0.11 -0.89 0.00 0.00 0.00 175.10 174.59 2xb2 s THR 78 N -1.13 1.04 0.00 3.92 2.01 0.16 -2.47 115.64 119.17 2xb2 s THR 78 Ca 0.20 -1.67 0.00 0.00 0.31 0.00 0.00 61.69 60.53 2xb2 s THR 78 Cb -0.12 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 70.98 2xb2 s THR 78 CO 0.10 -0.53 0.00 0.61 -0.69 0.00 0.00 174.62 174.11 2xb2 n GLY 79 N 0.53 0.62 3.75 4.40 0.00 -0.97 -0.46 105.19 113.07 2xb2 n GLY 79 Ca -0.16 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 2xb2 n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xb2 s VAL 80 N -2.00 3.58 0.15 1.61 1.01 -0.81 -4.43 120.40 119.51 2xb2 s VAL 80 Ca 0.00 1.55 -0.31 0.00 0.00 0.00 0.00 61.98 63.22 2xb2 s VAL 80 Cb 0.00 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 2xb2 s VAL 80 CO 0.00 0.35 1.38 -2.28 0.00 0.00 0.00 175.10 174.55 2xb2 s HIS 81 N -1.00 3.22 0.62 5.22 5.65 -1.26 -4.52 115.29 123.22 2xb2 s HIS 81 Ca 0.45 1.02 0.29 0.00 0.25 0.00 0.00 55.06 57.06 2xb2 s HIS 81 Cb -0.31 -3.68 1.51 0.00 -1.18 0.00 0.00 32.58 28.91 2xb2 s HIS 81 CO 0.39 -2.32 1.89 0.93 -0.65 0.00 0.00 174.74 174.99 2xb2 h GLU 82 N 6.27 0.00 -0.00 2.88 3.07 -1.93 -0.94 114.58 123.92 2xb2 h GLU 82 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2xb2 h GLU 82 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 2xb2 h GLU 82 CO 0.83 0.00 -0.58 -1.91 -1.40 0.00 0.00 179.01 175.95 2xb2 n GLU 83 N -3.36 0.35 -0.68 2.33 4.07 -1.26 -2.97 120.64 119.13 2xb2 n GLU 83 Ca 0.04 -0.25 -0.31 0.00 -0.06 0.00 0.00 57.16 56.58 2xb2 n GLU 83 Cb 0.55 -1.49 0.17 0.00 -0.06 0.00 0.00 31.44 30.61 2xb2 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2xb2 n ALA 84 N -1.10 -1.08 -2.57 4.31 0.00 -0.36 -5.06 120.51 114.65 2xb2 n ALA 84 Ca 0.07 -0.59 -0.27 0.00 0.00 0.00 0.00 53.44 52.66 2xb2 n ALA 84 Cb 0.36 -2.15 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 2xb2 n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2xb2 s THR 85 N -2.61 2.20 0.40 0.00 2.01 -1.26 -4.88 115.64 111.50 2xb2 s THR 85 Ca 0.66 -2.07 0.12 0.00 0.31 0.00 0.00 61.69 60.71 2xb2 s THR 85 Cb -0.23 -2.82 0.14 0.00 0.01 0.00 0.00 72.50 69.60 2xb2 s THR 85 CO 0.59 -0.11 1.91 -0.08 -0.69 0.00 0.00 174.62 176.24 2xb2 h GLU 86 N 1.86 0.07 0.00 4.92 4.81 -1.97 -0.34 114.58 123.93 2xb2 h GLU 86 Ca -0.43 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.75 2xb2 h GLU 86 Cb 1.25 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 2xb2 h GLU 86 CO 0.74 0.31 -0.16 1.49 -0.73 0.00 0.00 179.01 180.66 2xb2 h GLU 87 N 0.06 0.00 0.00 1.92 4.81 -2.00 -2.13 114.58 117.25 2xb2 h GLU 87 Ca 0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2xb2 h GLU 87 Cb 0.47 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 2xb2 h GLU 87 CO 0.03 0.16 -0.08 -0.44 -0.73 0.00 0.00 179.01 177.96 2xb2 h ASP 88 N 0.00 0.00 -0.69 1.04 3.32 -1.46 -3.18 116.42 115.45 2xb2 h ASP 88 Ca -0.00 -0.37 0.07 0.00 0.02 0.00 0.00 57.03 56.75 2xb2 h ASP 88 Cb 0.47 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 2xb2 h ASP 88 CO 0.02 0.73 0.45 0.40 -1.72 0.00 0.00 179.24 179.12 2xb2 h ILE 89 N -1.00 1.00 0.44 0.35 5.03 -1.50 -2.62 117.51 119.21 2xb2 h ILE 89 Ca -0.01 -0.24 -0.02 0.00 -0.12 0.00 0.00 64.86 64.47 2xb2 h ILE 89 Cb 0.43 0.26 -0.00 0.00 -3.03 0.00 0.00 36.82 34.47 2xb2 h ILE 89 CO -0.01 0.13 -0.29 -0.74 -0.68 0.00 0.00 178.15 176.56 2xb2 h HIS 90 N 0.69 -0.78 -1.03 1.37 2.76 -1.50 -1.70 115.15 114.95 2xb2 h HIS 90 Ca 0.30 -0.01 0.28 0.00 -2.20 0.00 0.00 60.37 58.74 2xb2 h HIS 90 Cb 0.29 0.28 -0.13 0.00 1.55 0.00 0.00 27.41 29.41 2xb2 h HIS 90 CO -0.00 -0.43 0.62 -0.44 -1.30 0.00 0.00 177.93 176.38 2xb2 h ASP 91 N -0.69 0.57 -0.52 3.26 5.19 -1.48 1.23 116.42 123.98 2xb2 h ASP 91 Ca -0.06 0.14 -0.07 0.00 -0.62 0.00 0.00 57.03 56.42 2xb2 h ASP 91 Cb 0.56 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 2xb2 h ASP 91 CO 0.04 0.03 0.06 0.11 -3.12 0.00 0.00 179.24 176.36 2xb2 h LYS 92 N 0.46 0.93 0.00 3.56 1.79 -1.24 -3.30 116.57 118.77 2xb2 h LYS 92 Ca 0.67 -0.25 -0.27 0.00 -2.18 0.00 0.00 60.65 58.62 2xb2 h LYS 92 Cb 1.46 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 31.95 2xb2 h LYS 92 CO -0.47 0.89 -2.04 1.19 -1.08 0.00 0.00 179.45 177.94 2xb2 n PHE 93 N -4.22 0.36 0.23 -1.35 3.72 0.32 -4.35 117.46 112.17 2xb2 n PHE 93 Ca 0.03 0.12 0.18 0.00 -0.05 0.00 0.00 57.45 57.74 2xb2 n PHE 93 Cb 0.29 -0.98 0.80 0.00 -0.94 0.00 0.00 39.48 38.65 2xb2 n PHE 93 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2xb2 h ALA 94 N 1.21 1.68 -0.01 4.37 0.00 0.13 -1.02 119.26 125.62 2xb2 h ALA 94 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2xb2 h ALA 94 Cb 1.92 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2xb2 h ALA 94 CO 0.04 -0.45 0.00 -1.91 0.00 0.00 0.00 179.25 176.93 2xb2 n GLU 95 N -3.31 1.03 0.00 0.00 2.13 -1.25 -3.30 120.64 115.94 2xb2 n GLU 95 Ca 0.02 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2xb2 n GLU 95 Cb 0.46 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.78 2xb2 n GLU 95 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2xb2 n TYR 96 N -0.10 0.00 0.00 4.31 4.02 -0.39 -5.04 117.16 119.97 2xb2 n TYR 96 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2xb2 n TYR 96 Cb 0.20 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 2xb2 n TYR 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2xb2 n GLY 97 N -0.02 0.32 3.65 2.72 0.00 -1.21 -4.57 105.19 106.07 2xb2 n GLY 97 Ca 0.00 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 2xb2 n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2xb2 s GLU 98 N -1.81 4.09 -0.67 1.61 2.56 -1.26 -4.65 118.70 118.57 2xb2 s GLU 98 Ca 0.00 1.38 -0.27 0.00 0.00 0.00 0.00 54.97 56.08 2xb2 s GLU 98 Cb 0.00 -3.79 0.03 0.00 2.00 0.00 0.00 34.13 32.37 2xb2 s GLU 98 CO 0.00 -0.88 1.20 0.42 -0.56 0.00 0.00 175.26 175.44 2xb2 s ILE 99 N 3.82 3.91 0.18 -3.70 1.01 -1.26 -4.24 121.20 120.91 2xb2 s ILE 99 Ca 0.53 0.50 0.25 0.00 0.00 0.00 0.00 60.65 61.93 2xb2 s ILE 99 Cb -0.18 -4.81 0.25 0.00 0.01 0.00 0.00 42.46 37.73 2xb2 s ILE 99 CO 0.17 -1.61 1.87 0.11 0.00 0.00 0.00 174.94 175.47 2xb2 h LYS 100 N 9.79 0.00 -2.11 2.79 1.79 -1.47 -3.46 116.57 123.90 2xb2 h LYS 100 Ca -0.27 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.27 2xb2 h LYS 100 Cb 1.06 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.53 2xb2 h LYS 100 CO 1.23 0.20 0.45 1.21 -1.08 0.00 0.00 179.45 181.46 2xb2 s ASN 101 N -6.16 -0.42 -0.17 0.86 3.84 -1.21 -5.00 114.94 106.69 2xb2 s ASN 101 Ca 0.00 0.19 -0.11 0.00 0.21 0.00 0.00 52.86 53.15 2xb2 s ASN 101 Cb 0.11 0.40 0.06 0.00 -0.55 0.00 0.00 41.25 41.26 2xb2 s ASN 101 CO 0.62 -0.57 0.43 -0.63 -2.79 0.00 0.00 177.10 174.16 2xb2 s ILE 102 N -2.39 -0.02 -0.26 -5.21 1.01 -1.26 -1.41 121.20 111.67 2xb2 s ILE 102 Ca 0.01 0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.74 2xb2 s ILE 102 Cb -0.01 -0.62 0.07 0.00 0.01 0.00 0.00 42.46 41.91 2xb2 s ILE 102 CO -0.04 0.03 -0.06 -1.00 0.00 0.00 0.00 174.94 173.86 2xb2 s HIS 103 N 1.09 2.86 -0.84 3.97 3.76 -0.09 -4.97 115.29 121.08 2xb2 s HIS 103 Ca -0.07 -2.12 0.01 0.00 -0.15 0.00 0.00 55.06 52.73 2xb2 s HIS 103 Cb -0.07 -1.86 0.21 0.00 1.11 0.00 0.00 32.58 31.97 2xb2 s HIS 103 CO -0.09 -0.84 0.72 -0.11 -0.85 0.00 0.00 174.74 173.57 2xb2 n LEU 104 N 4.54 3.92 -4.75 0.89 7.94 -1.26 -1.45 117.00 126.82 2xb2 n LEU 104 Ca -0.11 -5.18 -0.38 0.00 -1.11 0.00 0.00 56.01 49.23 2xb2 n LEU 104 Cb 0.43 -0.98 0.04 0.00 0.53 0.00 0.00 43.42 43.44 2xb2 n LEU 104 CO 0.19 1.66 0.96 0.20 -1.11 0.00 0.00 177.39 179.29 2xb2 s ASN 105 N -0.76 5.34 0.29 1.96 0.01 -1.26 -4.95 114.94 115.57 2xb2 s ASN 105 Ca 0.28 2.69 0.07 0.00 -0.71 0.00 0.00 52.86 55.19 2xb2 s ASN 105 Cb -0.04 -2.63 -0.03 0.00 0.41 0.00 0.00 41.25 38.96 2xb2 s ASN 105 CO -0.13 -1.52 0.26 -0.76 -1.51 0.00 0.00 177.10 173.45 2xb2 s LEU 106 N -3.53 3.77 -0.13 0.60 1.02 -1.26 -1.83 118.68 117.32 2xb2 s LEU 106 Ca 0.71 -0.33 -0.29 0.00 0.02 0.00 0.00 54.13 54.24 2xb2 s LEU 106 Cb -0.39 -2.35 -0.02 0.00 0.02 0.00 0.00 46.19 43.46 2xb2 s LEU 106 CO 0.45 -0.19 1.16 -0.62 0.02 0.00 0.00 176.35 177.17 2xb2 s ASP 107 N -3.93 7.06 0.36 2.29 -1.08 0.27 -4.45 116.67 117.19 2xb2 s ASP 107 Ca 0.37 1.66 0.25 0.00 -0.52 0.00 0.00 52.55 54.31 2xb2 s ASP 107 Cb -0.07 -2.55 1.31 0.00 -1.46 0.00 0.00 42.92 40.15 2xb2 s ASP 107 CO 0.26 -0.63 1.77 0.03 0.52 0.00 0.00 175.17 177.12 2xb2 h ARG 108 N 7.64 0.00 0.00 4.34 2.47 -1.96 -1.25 114.38 125.61 2xb2 h ARG 108 Ca -0.29 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.27 2xb2 h ARG 108 Cb 1.12 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.42 2xb2 h ARG 108 CO 0.92 0.00 -1.47 -2.13 0.56 0.00 0.00 179.97 177.85 2xb2 n ARG 109 N -2.39 0.49 -0.04 0.04 0.63 -1.26 -4.77 116.66 109.36 2xb2 n ARG 109 Ca -0.01 0.20 -0.14 0.00 -0.92 0.00 0.00 57.85 56.98 2xb2 n ARG 109 Cb 0.08 -1.34 -0.09 0.00 0.45 0.00 0.00 32.46 31.56 2xb2 n ARG 109 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 2xb2 h THR 110 N -0.88 1.42 0.00 5.15 1.35 -1.97 -3.48 112.91 114.49 2xb2 h THR 110 Ca -0.25 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 2xb2 h THR 110 Cb 1.14 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 2xb2 h THR 110 CO -0.15 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 2xb2 n GLY 111 N 0.47 0.68 3.96 5.82 0.00 -0.47 -5.01 105.19 110.64 2xb2 n GLY 111 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 2xb2 n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2xb2 s TYR 112 N -2.00 3.29 0.16 1.61 1.51 -1.26 -4.63 117.35 116.02 2xb2 s TYR 112 Ca 0.00 0.11 -0.34 0.00 -1.01 0.00 0.00 57.07 55.83 2xb2 s TYR 112 Cb 0.00 -2.03 -0.15 0.00 -0.11 0.00 0.00 41.96 39.67 2xb2 s TYR 112 CO 0.00 -0.05 1.41 1.28 -1.11 0.00 0.00 175.55 177.08 2xb2 n LEU 113 N -1.81 2.47 0.09 -1.29 4.77 -1.16 0.96 117.00 121.05 2xb2 n LEU 113 Ca -0.02 1.11 0.08 0.00 -0.03 0.00 0.00 56.01 57.16 2xb2 n LEU 113 Cb 0.57 -1.33 0.39 0.00 -2.33 0.00 0.00 43.42 40.72 2xb2 n LEU 113 CO 0.46 -0.69 0.75 1.17 -1.33 0.00 0.00 177.39 177.75 2xb2 n LYS 114 N 2.62 0.10 0.00 3.23 3.00 -0.76 -4.59 118.16 121.76 2xb2 n LYS 114 Ca 0.16 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 58.97 2xb2 n LYS 114 Cb 0.26 -1.77 0.00 0.00 0.00 0.00 0.00 35.03 33.52 2xb2 n LYS 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2xb2 n GLY 115 N -0.84 0.80 3.26 3.14 0.00 -1.26 -4.97 105.19 105.32 2xb2 n GLY 115 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2xb2 n GLY 115 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2xb2 s TYR 116 N -2.00 1.30 -0.16 1.61 -0.85 -1.26 -1.92 117.35 114.07 2xb2 s TYR 116 Ca 0.00 -0.84 -0.21 0.00 -0.52 0.00 0.00 57.07 55.50 2xb2 s TYR 116 Cb 0.00 -0.70 0.06 0.00 0.38 0.00 0.00 41.96 41.70 2xb2 s TYR 116 CO 0.00 0.00 0.57 -0.08 -1.52 0.00 0.00 175.55 174.52 2xb2 s THR 117 N -3.41 0.01 -0.18 -3.49 -1.32 -1.03 -4.00 115.64 102.22 2xb2 s THR 117 Ca 0.20 -0.05 -0.03 0.00 -1.21 0.00 0.00 61.69 60.59 2xb2 s THR 117 Cb 0.04 -0.82 -0.02 0.00 -1.51 0.00 0.00 72.50 70.19 2xb2 s THR 117 CO 0.02 -0.03 -0.05 -0.76 -2.21 0.00 0.00 174.62 171.59 2xb2 s LEU 118 N -0.15 3.03 -0.02 9.08 1.02 -0.53 -0.89 118.68 130.23 2xb2 s LEU 118 Ca -0.04 -0.26 0.06 0.00 0.02 0.00 0.00 54.13 53.91 2xb2 s LEU 118 Cb -0.03 -1.74 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 2xb2 s LEU 118 CO 0.03 0.09 -0.19 -0.69 0.02 0.00 0.00 176.35 175.61 2xb2 s VAL 119 N 0.80 2.65 -0.05 -1.59 1.01 -1.07 -0.91 120.40 121.25 2xb2 s VAL 119 Ca -0.02 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.01 2xb2 s VAL 119 Cb -0.15 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.22 2xb2 s VAL 119 CO 0.02 0.52 -0.12 -0.70 0.00 0.00 0.00 175.10 174.82 2xb2 s GLU 120 N -0.88 1.43 0.30 2.72 2.12 -0.50 -0.48 118.70 123.41 2xb2 s GLU 120 Ca 0.12 -0.39 0.10 0.00 0.36 0.00 0.00 54.97 55.15 2xb2 s GLU 120 Cb -0.10 -1.24 -0.05 0.00 0.26 0.00 0.00 34.13 33.00 2xb2 s GLU 120 CO 0.01 0.08 -0.04 0.71 -0.54 0.00 0.00 175.26 175.49 2xb2 s TYR 121 N 0.44 2.56 0.10 5.30 2.02 -0.10 -1.12 117.35 126.55 2xb2 s TYR 121 Ca -0.09 -0.32 -0.04 0.00 -0.37 0.00 0.00 57.07 56.24 2xb2 s TYR 121 Cb -0.13 -1.27 -0.21 0.00 -0.40 0.00 0.00 41.96 39.96 2xb2 s TYR 121 CO 0.02 0.58 1.20 1.49 -1.57 0.00 0.00 175.55 177.28 2xb2 h GLU 122 N 1.93 0.33 -6.41 -0.62 4.81 -1.85 0.29 114.58 113.06 2xb2 h GLU 122 Ca -0.43 -0.46 -0.62 0.00 -0.13 0.00 0.00 59.36 57.72 2xb2 h GLU 122 Cb 1.25 0.16 -0.14 0.00 0.63 0.00 0.00 28.75 30.65 2xb2 h GLU 122 CO 0.63 1.18 -0.73 0.95 -0.73 0.00 0.00 179.01 180.30 2xb2 s THR 123 N -2.90 3.05 0.28 0.32 -4.23 -1.26 -4.36 115.64 106.54 2xb2 s THR 123 Ca -0.05 -1.82 -0.02 0.00 -1.18 0.00 0.00 61.69 58.62 2xb2 s THR 123 Cb 0.08 -2.53 0.27 0.00 1.34 0.00 0.00 72.50 71.65 2xb2 s THR 123 CO 0.88 -0.18 1.93 0.22 -0.54 0.00 0.00 174.62 176.93 2xb2 h TYR 124 N 2.74 1.14 0.01 3.99 3.20 -1.97 -2.37 116.97 123.70 2xb2 h TYR 124 Ca -0.46 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.45 2xb2 h TYR 124 Cb 1.22 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 2xb2 h TYR 124 CO 0.67 0.66 -0.07 -0.22 -1.64 0.00 0.00 178.16 177.56 2xb2 h LYS 125 N 1.18 -0.12 -0.13 1.82 3.64 -1.98 0.10 116.57 121.08 2xb2 h LYS 125 Ca 0.37 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2xb2 h LYS 125 Cb 0.01 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2xb2 h LYS 125 CO -0.11 -0.08 0.07 0.93 -2.27 0.00 0.00 179.45 177.99 2xb2 h GLU 126 N -0.13 0.18 -0.28 1.90 5.08 -1.74 0.29 114.58 119.87 2xb2 h GLU 126 Ca 0.03 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2xb2 h GLU 126 Cb 0.16 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2xb2 h GLU 126 CO -0.07 0.19 0.05 0.00 -1.00 0.00 0.00 179.01 178.19 2xb2 h ALA 127 N 0.97 0.29 -0.01 3.43 0.00 -1.22 -0.29 119.26 122.43 2xb2 h ALA 127 Ca 0.04 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2xb2 h ALA 127 Cb 0.07 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2xb2 h ALA 127 CO -0.01 -0.36 -0.43 0.37 0.00 0.00 0.00 179.25 178.83 2xb2 h GLN 128 N 0.16 0.01 0.59 0.00 4.15 -0.67 -2.29 115.11 117.06 2xb2 h GLN 128 Ca 0.13 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 2xb2 h GLN 128 Cb 0.14 -0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.83 2xb2 h GLN 128 CO -0.18 0.44 -0.28 0.00 -1.93 0.00 0.00 178.83 176.88 2xb2 h ALA 129 N 1.56 -0.79 -0.07 3.38 0.00 -0.05 -2.40 119.26 120.88 2xb2 h ALA 129 Ca -0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2xb2 h ALA 129 Cb 0.76 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2xb2 h ALA 129 CO 0.06 -0.85 0.07 0.00 0.00 0.00 0.00 179.25 178.52 2xb2 h ALA 130 N -0.70 1.83 0.26 0.00 0.00 -1.06 0.24 119.26 119.83 2xb2 h ALA 130 Ca -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2xb2 h ALA 130 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2xb2 h ALA 130 CO 0.13 -0.10 -0.13 1.98 0.00 0.00 0.00 179.25 181.13 2xb2 h MET 131 N 0.00 -0.34 -0.85 0.00 -1.53 -1.17 -0.77 114.93 110.27 2xb2 h MET 131 Ca 0.04 0.02 0.03 0.00 -3.44 0.00 0.00 59.70 56.34 2xb2 h MET 131 Cb 0.17 0.08 -0.05 0.00 -0.55 0.00 0.00 31.60 31.25 2xb2 h MET 131 CO -0.00 -0.23 0.55 0.93 0.14 0.00 0.00 176.91 178.30 2xb2 h GLU 132 N -0.45 1.05 -0.02 0.39 5.08 -1.26 0.14 114.58 119.52 2xb2 h GLU 132 Ca -0.04 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2xb2 h GLU 132 Cb 0.27 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2xb2 h GLU 132 CO 0.06 0.70 -0.18 0.78 -1.00 0.00 0.00 179.01 179.36 2xb2 h GLY 133 N 1.09 0.03 0.00 -3.84 0.00 -0.57 -3.32 103.07 96.45 2xb2 h GLY 133 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2xb2 h GLY 133 CO -0.10 0.02 -0.28 1.04 0.00 0.00 0.00 176.54 177.21 2xb2 n LEU 134 N -4.31 0.16 -4.74 3.11 4.77 -0.30 -4.88 117.00 110.82 2xb2 n LEU 134 Ca -0.02 -0.45 -0.42 0.00 -0.03 0.00 0.00 56.01 55.09 2xb2 n LEU 134 Cb 0.25 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 2xb2 n LEU 134 CO 0.37 0.04 1.28 0.21 -1.33 0.00 0.00 177.39 177.96 2xb2 s ASN 135 N -1.47 6.40 0.00 -1.43 3.04 0.48 -1.69 114.94 120.27 2xb2 s ASN 135 Ca 0.01 2.89 0.00 0.00 0.04 0.00 0.00 52.86 55.80 2xb2 s ASN 135 Cb 0.03 -2.62 0.00 0.00 -1.54 0.00 0.00 41.25 37.12 2xb2 s ASN 135 CO 0.16 -0.92 0.00 0.61 -3.04 0.00 0.00 177.10 173.91 2xb2 n GLY 136 N 2.92 2.53 3.66 1.21 0.00 0.82 -4.94 105.19 111.39 2xb2 n GLY 136 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2xb2 n GLY 136 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2xb2 s GLN 137 N 0.00 0.89 0.31 1.61 2.00 -0.68 -4.47 119.66 119.32 2xb2 s GLN 137 Ca 0.00 1.35 -0.13 0.00 -2.00 0.00 0.00 55.36 54.58 2xb2 s GLN 137 Cb 0.00 -1.73 -0.08 0.00 0.80 0.00 0.00 33.01 32.00 2xb2 s GLN 137 CO 0.00 -2.65 0.69 0.34 -0.50 0.00 0.00 175.29 173.17 2xb2 s ASP 138 N -2.79 6.68 -0.27 6.67 -1.08 -1.26 -1.31 116.67 123.31 2xb2 s ASP 138 Ca 0.66 1.14 -0.00 0.00 -0.52 0.00 0.00 52.55 53.83 2xb2 s ASP 138 Cb -0.22 -2.32 0.15 0.00 -1.46 0.00 0.00 42.92 39.07 2xb2 s ASP 138 CO 0.59 -0.20 0.37 -0.22 0.52 0.00 0.00 175.17 176.22 2xb2 s LEU 139 N -3.10 -0.60 -1.46 -1.34 2.96 -0.14 -4.88 118.68 110.13 2xb2 s LEU 139 Ca 0.52 -0.29 -0.10 0.00 -0.22 0.00 0.00 54.13 54.04 2xb2 s LEU 139 Cb -0.10 0.95 0.06 0.00 0.50 0.00 0.00 46.19 47.59 2xb2 s LEU 139 CO 0.21 -0.35 0.96 0.23 -1.32 0.00 0.00 176.35 176.09 2xb2 n MET 140 N 5.35 -5.81 0.00 1.98 2.81 -1.26 -2.72 117.12 117.46 2xb2 n MET 140 Ca -0.01 0.64 0.00 0.00 -1.81 0.00 0.00 57.70 56.52 2xb2 n MET 140 Cb 0.49 -5.50 0.00 0.00 -0.71 0.00 0.00 33.22 27.50 2xb2 n MET 140 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2xb2 n GLY 141 N -1.71 2.76 3.84 3.03 0.00 -1.26 -4.92 105.19 106.93 2xb2 n GLY 141 Ca -0.04 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 2xb2 n GLY 141 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2xb2 s GLN 142 N 0.00 3.91 -0.02 1.61 -0.21 -1.10 -5.01 119.66 118.84 2xb2 s GLN 142 Ca 0.00 0.39 -0.30 0.00 0.02 0.00 0.00 55.36 55.47 2xb2 s GLN 142 Cb 0.00 -3.13 -0.03 0.00 1.00 0.00 0.00 33.01 30.85 2xb2 s GLN 142 CO 0.00 0.63 1.08 -1.25 -2.12 0.00 0.00 175.29 173.62 2xb2 s PRO 143 N -1.41 4.46 0.13 2.91 0.04 -1.26 -0.96 135.00 138.91 2xb2 s PRO 143 Ca 0.28 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2xb2 s PRO 143 Cb -0.16 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 2xb2 s PRO 143 CO 0.16 -0.22 0.29 0.96 0.04 0.00 0.00 177.00 178.22 2xb2 s ILE 144 N 1.45 5.31 -0.11 0.56 -4.36 -0.43 -4.64 121.20 118.98 2xb2 s ILE 144 Ca 0.53 -0.44 -0.00 0.00 -0.26 0.00 0.00 60.65 60.49 2xb2 s ILE 144 Cb -0.23 -3.69 -0.02 0.00 1.25 0.00 0.00 42.46 39.77 2xb2 s ILE 144 CO 0.25 -0.01 -0.10 -0.44 0.24 0.00 0.00 174.94 174.89 2xb2 s SER 145 N -2.86 4.34 -0.18 4.36 0.01 0.39 -0.13 113.70 119.64 2xb2 s SER 145 Ca 0.36 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.42 2xb2 s SER 145 Cb -0.12 -1.47 0.04 0.00 0.21 0.00 0.00 66.02 64.68 2xb2 s SER 145 CO 0.28 0.23 -0.08 -0.69 0.41 0.00 0.00 173.24 173.39 2xb2 s VAL 146 N -0.02 1.33 0.30 3.43 1.01 -1.26 -0.66 120.40 124.52 2xb2 s VAL 146 Ca -0.02 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2xb2 s VAL 146 Cb -0.14 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2xb2 s VAL 146 CO 0.03 0.16 0.15 -1.81 0.00 0.00 0.00 175.10 173.63 2xb2 s ASP 147 N 1.54 1.45 0.48 3.32 1.01 -1.00 -4.74 116.67 118.72 2xb2 s ASP 147 Ca 0.00 -1.53 -0.23 0.00 0.71 0.00 0.00 52.55 51.51 2xb2 s ASP 147 Cb -0.15 0.35 -0.07 0.00 1.01 0.00 0.00 42.92 44.06 2xb2 s ASP 147 CO -0.08 -0.86 1.20 0.26 0.21 0.00 0.00 175.17 175.90 2xb2 s TRP 148 N -3.64 2.76 -0.13 4.23 0.52 -1.26 -0.12 118.94 121.29 2xb2 s TRP 148 Ca 0.36 1.50 0.03 0.00 0.02 0.00 0.00 56.10 58.01 2xb2 s TRP 148 Cb 0.05 -3.46 -0.24 0.00 -1.15 0.00 0.00 33.47 28.68 2xb2 s TRP 148 CO 0.17 -1.78 0.31 0.00 0.02 0.00 0.00 176.95 175.66 2xb2 s PHE 150 N -2.55 2.07 0.49 0.00 0.08 -1.26 -4.97 117.98 111.84 2xb2 s PHE 150 Ca -0.18 -0.80 0.04 0.00 0.12 0.00 0.00 56.93 56.10 2xb2 s PHE 150 Cb 0.07 -1.42 -0.01 0.00 -0.57 0.00 0.00 43.02 41.09 2xb2 s PHE 150 CO 0.76 -0.34 0.12 0.14 -0.10 0.00 0.00 175.22 175.80 2xb2 s VAL 151 N 0.44 1.51 0.27 -0.44 -7.23 -1.26 -0.27 120.40 113.42 2xb2 s VAL 151 Ca -0.16 -1.84 -0.13 0.00 -1.81 0.00 0.00 61.98 58.03 2xb2 s VAL 151 Cb -0.17 -2.36 -0.08 0.00 0.56 0.00 0.00 36.38 34.34 2xb2 s VAL 151 CO 0.06 0.00 0.65 -0.13 -0.31 0.00 0.00 175.10 175.38 2xb2 s ARG 152 N -3.96 3.95 1.03 4.82 0.52 -1.26 -4.56 118.95 119.50 2xb2 s ARG 152 Ca 0.20 0.53 -0.15 0.00 -0.52 0.00 0.00 55.73 55.79 2xb2 s ARG 152 Cb 0.02 -2.58 0.08 0.00 0.52 0.00 0.00 34.95 32.99 2xb2 s ARG 152 CO 0.11 0.26 0.30 0.41 0.02 0.00 0.00 175.30 176.40 2xb2 n GLY 153 N -0.10 -2.15 0.00 -3.53 0.00 -1.26 -5.07 105.19 93.07 2xb2 n GLY 153 Ca 0.01 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.31 2xb2 n GLY 153 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77