#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xdx n GLU 2 N 0.00 0.24 -1.41 0.03 2.13 -1.26 -4.85 120.64 115.52 1xdx n GLU 2 Ca 0.00 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.47 1xdx n GLU 2 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 1xdx n GLU 2 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xdx n GLY 3 N 5.00 1.39 3.02 8.31 0.00 -1.26 -4.84 105.19 116.81 1xdx n GLY 3 Ca 0.00 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 1xdx n GLY 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xdx s VAL 4 N 8.73 1.40 -0.98 1.61 1.01 -1.26 -4.75 120.40 126.16 1xdx s VAL 4 Ca 0.66 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 1xdx s VAL 4 Cb 0.07 -1.31 0.25 0.00 0.00 0.00 0.00 36.38 35.39 1xdx s VAL 4 CO 0.17 0.42 0.94 -0.62 0.00 0.00 0.00 175.10 176.01 1xdx s ASP 5 N 1.20 6.92 -0.04 3.32 -1.08 0.14 -4.92 116.67 122.21 1xdx s ASP 5 Ca -0.02 -3.28 -0.29 0.00 -0.52 0.00 0.00 52.55 48.43 1xdx s ASP 5 Cb -0.14 -2.16 -0.08 0.00 -1.46 0.00 0.00 42.92 39.08 1xdx s ASP 5 CO -0.04 -0.37 2.03 -2.16 0.52 0.00 0.00 175.17 175.14 1xdx s PRO 6 N -0.75 3.84 -0.16 4.34 0.04 -1.26 -3.99 135.00 137.07 1xdx s PRO 6 Ca 0.26 2.42 -0.03 0.00 0.04 0.00 0.00 61.00 63.69 1xdx s PRO 6 Cb -0.10 -4.22 0.01 0.00 0.04 0.00 0.00 34.50 30.23 1xdx s PRO 6 CO -0.09 -1.29 0.06 0.00 0.04 0.00 0.00 177.00 175.72 1xdx n ALA 7 N 8.76 -3.36 0.01 8.56 0.00 -0.40 -5.02 120.51 129.06 1xdx n ALA 7 Ca 0.23 0.76 -0.01 0.00 0.00 0.00 0.00 53.44 54.41 1xdx n ALA 7 Cb 0.42 -1.48 -0.00 0.00 0.00 0.00 0.00 19.45 18.38 1xdx n ALA 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xdx n VAL 8 N 0.66 0.96 -2.35 0.00 0.31 -1.26 -4.82 118.33 111.83 1xdx n VAL 8 Ca -0.10 0.29 -0.39 0.00 -0.01 0.00 0.00 64.34 64.13 1xdx n VAL 8 Cb 0.15 -1.58 0.02 0.00 -0.91 0.00 0.00 33.84 31.52 1xdx n VAL 8 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xdx n GLU 9 N -3.39 4.11 -1.67 5.55 1.02 -1.26 -5.02 120.64 119.98 1xdx n GLU 9 Ca -0.02 -4.20 -0.46 0.00 -0.02 0.00 0.00 57.16 52.46 1xdx n GLU 9 Cb 0.08 -2.36 -0.04 0.00 -0.02 0.00 0.00 31.44 29.10 1xdx n GLU 9 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1xdx n GLU 10 N -0.29 2.47 -4.68 3.49 2.13 -1.26 -4.29 120.64 118.21 1xdx n GLU 10 Ca 0.49 0.91 -0.34 0.00 0.66 0.00 0.00 57.16 58.88 1xdx n GLU 10 Cb 0.27 -2.80 -0.12 0.00 0.27 0.00 0.00 31.44 29.07 1xdx n GLU 10 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xdx s ALA 11 N 4.20 2.91 0.00 4.31 0.00 -1.26 -4.89 121.76 127.03 1xdx s ALA 11 Ca 0.91 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1xdx s ALA 11 Cb -0.59 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1xdx s ALA 11 CO 0.48 0.57 0.00 0.00 0.00 0.00 0.00 175.76 176.81 1xdx n ALA 12 N 2.22 0.00 0.03 0.00 0.00 -1.19 -4.16 120.51 117.41 1xdx n ALA 12 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1xdx n ALA 12 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1xdx n ALA 12 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xdx n PHE 13 N -0.75 -0.77 -4.41 0.00 7.35 -1.26 -5.06 117.46 112.55 1xdx n PHE 13 Ca 0.00 0.10 -0.21 0.00 -0.76 0.00 0.00 57.45 56.58 1xdx n PHE 13 Cb 0.00 0.60 -0.10 0.00 0.35 0.00 0.00 39.48 40.33 1xdx n PHE 13 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1xdx s VAL 14 N -1.15 1.88 -0.35 -2.13 1.01 -1.26 -4.91 120.40 113.49 1xdx s VAL 14 Ca 0.00 -2.22 -0.01 0.00 0.00 0.00 0.00 61.98 59.75 1xdx s VAL 14 Cb 0.00 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1xdx s VAL 14 CO 0.00 -0.42 0.32 0.00 0.00 0.00 0.00 175.10 175.00 1xdx n ALA 15 N -0.53 -1.67 0.27 5.51 0.00 -1.26 -4.81 120.51 118.03 1xdx n ALA 15 Ca -0.06 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1xdx n ALA 15 Cb 0.62 -1.43 0.82 0.00 0.00 0.00 0.00 19.45 19.46 1xdx n ALA 15 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1xdx h ASP 16 N -0.06 0.00 -0.22 0.00 1.82 -1.98 -1.29 116.42 114.68 1xdx h ASP 16 Ca -0.10 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.56 1xdx h ASP 16 Cb 1.05 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.04 1xdx h ASP 16 CO 0.14 0.00 0.10 -2.24 -1.61 0.00 0.00 179.24 175.63 1xdx h ASP 17 N 0.00 0.13 0.75 2.28 2.03 -2.00 -0.83 116.42 118.78 1xdx h ASP 17 Ca 0.01 0.01 -0.21 0.00 -0.73 0.00 0.00 57.03 56.12 1xdx h ASP 17 Cb 0.05 -0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 38.53 1xdx h ASP 17 CO -0.00 0.11 -0.94 0.58 -1.03 0.00 0.00 179.24 177.95 1xdx h VAL 18 N 0.21 1.57 -0.66 4.15 2.07 -1.76 -3.17 116.25 118.67 1xdx h VAL 18 Ca 0.09 -2.92 -0.02 0.00 0.82 0.00 0.00 66.70 64.67 1xdx h VAL 18 Cb 0.04 2.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 1xdx h VAL 18 CO -0.08 0.84 0.34 0.77 0.02 0.00 0.00 177.57 179.46 1xdx h SER 19 N 0.05 0.85 -0.05 0.57 4.64 -0.94 -2.93 113.55 115.74 1xdx h SER 19 Ca -0.04 -0.12 -0.16 0.00 -0.47 0.00 0.00 61.79 61.00 1xdx h SER 19 Cb 1.62 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.49 1xdx h SER 19 CO 0.14 0.72 -0.52 -0.55 -0.87 0.00 0.00 176.83 175.75 1xdx h ASN 20 N 0.91 0.69 0.04 4.97 7.08 -1.23 -3.07 115.58 124.98 1xdx h ASN 20 Ca 0.23 -0.36 0.02 0.00 -3.08 0.00 0.00 56.30 53.12 1xdx h ASN 20 Cb 0.08 -0.20 -0.03 0.00 -2.08 0.00 0.00 38.32 36.09 1xdx h ASN 20 CO -0.03 1.08 -0.20 0.40 -2.08 0.00 0.00 177.43 176.60 1xdx h ILE 21 N 0.49 0.54 0.16 6.14 2.04 -1.49 0.89 117.51 126.28 1xdx h ILE 21 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1xdx h ILE 21 Cb 1.06 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1xdx h ILE 21 CO 0.10 0.00 -0.16 0.40 0.00 0.00 0.00 178.15 178.49 1xdx h ILE 22 N -0.34 0.64 -0.42 -0.67 1.08 -1.58 0.43 117.51 116.64 1xdx h ILE 22 Ca 0.04 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.49 1xdx h ILE 22 Cb 0.39 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 1xdx h ILE 22 CO -0.15 0.00 0.16 0.11 -0.69 0.00 0.00 178.15 177.57 1xdx h LYS 23 N -0.35 0.64 -0.56 2.37 1.57 -1.42 -0.48 116.57 118.35 1xdx h LYS 23 Ca 0.00 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1xdx h LYS 23 Cb 0.34 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1xdx h LYS 23 CO -0.05 0.60 0.31 0.93 -0.57 0.00 0.00 179.45 180.68 1xdx h GLU 24 N 0.54 0.76 -0.41 3.15 4.39 0.10 -2.03 114.58 121.07 1xdx h GLU 24 Ca 0.14 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 1xdx h GLU 24 Cb 0.21 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1xdx h GLU 24 CO -0.01 0.55 -0.04 1.03 -1.16 0.00 0.00 179.01 179.38 1xdx h SER 25 N 0.77 0.76 -0.88 1.42 0.87 0.43 -2.89 113.55 114.02 1xdx h SER 25 Ca 0.20 -0.33 0.05 0.00 -1.23 0.00 0.00 61.79 60.47 1xdx h SER 25 Cb 0.00 -0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 61.70 1xdx h SER 25 CO -0.03 0.91 0.56 0.40 -0.53 0.00 0.00 176.83 178.14 1xdx h ILE 26 N 0.59 1.09 -0.83 2.23 5.03 -0.41 1.38 117.51 126.58 1xdx h ILE 26 Ca 0.11 -0.36 0.09 0.00 -0.12 0.00 0.00 64.86 64.58 1xdx h ILE 26 Cb 0.55 -0.05 -0.06 0.00 -3.03 0.00 0.00 36.82 34.23 1xdx h ILE 26 CO 0.03 0.19 0.54 -0.78 -0.68 0.00 0.00 178.15 177.45 1xdx h ASP 27 N 1.05 0.73 0.07 1.72 3.58 -1.23 -0.05 116.42 122.30 1xdx h ASP 27 Ca 0.37 0.02 -0.31 0.00 0.42 0.00 0.00 57.03 57.53 1xdx h ASP 27 Cb 0.10 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1xdx h ASP 27 CO -0.15 0.43 -1.68 0.00 -2.88 0.00 0.00 179.24 174.97 1xdx h ALA 28 N 1.58 0.35 0.00 -0.78 0.00 -0.93 -1.47 119.26 118.01 1xdx h ALA 28 Ca 0.38 -1.31 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1xdx h ALA 28 Cb 0.41 0.72 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xdx h ALA 28 CO -0.15 1.04 0.00 0.28 0.00 0.00 0.00 179.25 180.42 1xdx n VAL 29 N -3.90 0.66 0.00 0.00 0.31 0.46 -1.20 118.33 114.65 1xdx n VAL 29 Ca -0.32 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1xdx n VAL 29 Cb 0.89 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 1xdx n VAL 29 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1xdx n LEU 30 N -1.30 1.14 0.06 7.52 7.99 -0.04 -4.67 117.00 127.71 1xdx n LEU 30 Ca 0.06 0.00 0.13 0.00 -0.01 0.00 0.00 56.01 56.19 1xdx n LEU 30 Cb 0.11 0.00 0.32 0.00 -0.11 0.00 0.00 43.42 43.74 1xdx n LEU 30 CO 0.10 0.19 0.63 1.67 -1.51 0.00 0.00 177.39 178.48 1xdx n GLN 31 N -1.96 0.21 -0.45 3.23 7.27 -0.55 -4.22 117.38 120.91 1xdx n GLN 31 Ca 0.00 0.11 0.36 0.00 0.07 0.00 0.00 57.00 57.55 1xdx n GLN 31 Cb 0.38 -1.69 0.59 0.00 2.41 0.00 0.00 30.24 31.94 1xdx n GLN 31 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1xdx n ASN 32 N -2.03 0.11 0.00 1.69 6.94 -0.34 -4.49 115.26 117.14 1xdx n ASN 32 Ca 0.05 1.01 0.00 0.00 -0.02 0.00 0.00 54.58 55.62 1xdx n ASN 32 Cb 0.41 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1xdx n ASN 32 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1xdx n GLN 33 N -4.04 0.00 -4.22 -3.83 -0.06 -1.26 -5.14 117.38 98.84 1xdx n GLN 33 Ca 0.34 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 55.19 1xdx n GLN 33 Cb 1.40 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 27.50 1xdx n GLN 33 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 1xdx s GLN 34 N 0.00 1.51 -0.39 3.69 2.00 -1.26 -5.13 119.66 120.08 1xdx s GLN 34 Ca 0.00 -1.79 -0.22 0.00 -2.00 0.00 0.00 55.36 51.35 1xdx s GLN 34 Cb 0.00 0.32 0.01 0.00 0.80 0.00 0.00 33.01 34.14 1xdx s GLN 34 CO 0.00 -0.54 0.75 -0.47 -0.50 0.00 0.00 175.29 174.52 1xdx s TYR 35 N -3.76 3.08 -0.06 1.67 5.04 -1.26 -4.89 117.35 117.17 1xdx s TYR 35 Ca 0.38 0.36 0.01 0.00 -2.44 0.00 0.00 57.07 55.39 1xdx s TYR 35 Cb 0.04 -3.43 0.02 0.00 0.35 0.00 0.00 41.96 38.94 1xdx s TYR 35 CO 0.19 -0.80 -0.07 -1.12 -1.34 0.00 0.00 175.55 172.41 1xdx s SER 36 N 1.93 1.39 0.22 4.32 0.01 -1.26 -5.04 113.70 115.27 1xdx s SER 36 Ca 0.29 -0.21 -0.08 0.00 1.31 0.00 0.00 55.95 57.26 1xdx s SER 36 Cb -0.13 -0.62 0.19 0.00 0.21 0.00 0.00 66.02 65.66 1xdx s SER 36 CO 0.18 -0.03 1.86 -0.08 0.41 0.00 0.00 173.24 175.58 1xdx h GLU 37 N 7.22 1.16 -0.17 12.44 4.57 -1.98 0.57 114.58 138.39 1xdx h GLU 37 Ca -0.34 -0.12 0.05 0.00 -1.18 0.00 0.00 59.36 57.77 1xdx h GLU 37 Cb 1.16 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 1xdx h GLU 37 CO 0.46 0.83 0.15 0.00 -1.18 0.00 0.00 179.01 179.27 1xdx h ALA 38 N 1.26 1.93 0.00 2.92 0.00 -2.03 -0.54 119.26 122.80 1xdx h ALA 38 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1xdx h ALA 38 Cb -0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xdx h ALA 38 CO -0.05 -0.24 -1.44 1.63 0.00 0.00 0.00 179.25 179.15 1xdx n LYS 39 N -4.09 0.63 -0.09 0.00 4.01 -0.65 -4.16 118.16 113.80 1xdx n LYS 39 Ca 0.01 -0.10 0.26 0.00 -0.51 0.00 0.00 58.31 57.98 1xdx n LYS 39 Cb 0.28 -1.44 0.69 0.00 -0.51 0.00 0.00 35.03 34.05 1xdx n LYS 39 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1xdx h VAL 40 N 0.00 0.33 0.00 -0.18 2.07 0.18 1.13 116.25 119.79 1xdx h VAL 40 Ca 0.00 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.19 1xdx h VAL 40 Cb 0.69 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1xdx h VAL 40 CO 0.00 0.00 -2.26 -1.20 0.02 0.00 0.00 177.57 174.13 1xdx n SER 41 N -3.80 1.98 0.11 0.57 7.64 -1.25 -4.32 113.62 114.54 1xdx n SER 41 Ca 0.16 -0.10 -0.01 0.00 1.01 0.00 0.00 58.87 59.93 1xdx n SER 41 Cb 0.97 -0.12 0.25 0.00 -1.01 0.00 0.00 64.21 64.30 1xdx n SER 41 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1xdx h GLN 42 N 0.00 0.21 0.44 1.43 7.50 -1.39 -3.05 115.11 120.26 1xdx h GLN 42 Ca -0.50 -0.09 -0.02 0.00 0.50 0.00 0.00 58.65 58.54 1xdx h GLN 42 Cb 1.83 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 29.36 1xdx h GLN 42 CO -0.06 0.57 -0.21 -1.49 -1.50 0.00 0.00 178.83 176.14 1xdx h TRP 43 N 0.18 -0.54 -0.30 2.96 -0.00 0.11 -1.50 115.95 116.86 1xdx h TRP 43 Ca 0.02 -0.01 0.09 0.00 -0.00 0.00 0.00 58.89 58.98 1xdx h TRP 43 Cb 0.76 0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 30.09 1xdx h TRP 43 CO 0.01 -0.31 0.36 0.00 -0.00 0.00 0.00 178.44 178.50 1xdx h THR 44 N -0.63 0.35 -0.52 1.49 1.03 -1.74 1.13 112.91 114.03 1xdx h THR 44 Ca -0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 66.41 66.22 1xdx h THR 44 Cb 0.48 0.70 -0.02 0.00 -1.07 0.00 0.00 68.15 68.24 1xdx h THR 44 CO 0.10 0.00 -0.16 0.77 -0.01 0.00 0.00 175.52 176.22 1xdx h SER 45 N 0.00 1.04 -0.32 0.00 4.64 -1.19 0.15 113.55 117.87 1xdx h SER 45 Ca 0.14 -0.37 -0.11 0.00 -0.47 0.00 0.00 61.79 60.98 1xdx h SER 45 Cb 0.86 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1xdx h SER 45 CO -0.00 1.18 -0.18 0.28 -0.87 0.00 0.00 176.83 177.24 1xdx h SER 46 N 0.90 0.79 -0.84 4.97 0.02 0.19 -0.89 113.55 118.67 1xdx h SER 46 Ca 0.13 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1xdx h SER 46 Cb 0.74 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.03 1xdx h SER 46 CO 0.06 0.97 0.43 0.00 -1.14 0.00 0.00 176.83 177.15 1xdx h LEU 48 N 1.20 0.53 -0.13 0.00 4.07 -0.16 0.95 115.31 121.77 1xdx h LEU 48 Ca 0.30 -0.16 -0.23 0.00 0.08 0.00 0.00 57.88 57.87 1xdx h LEU 48 Cb 0.07 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 1xdx h LEU 48 CO -0.04 0.72 -1.00 -0.08 -1.08 0.00 0.00 178.44 176.97 1xdx h GLU 49 N 0.49 0.32 -0.00 1.13 4.81 -0.13 -1.42 114.58 119.78 1xdx h GLU 49 Ca 0.08 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1xdx h GLU 49 Cb 0.58 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1xdx h GLU 49 CO 0.04 1.09 -0.02 0.72 -0.73 0.00 0.00 179.01 180.11 1xdx n HIS 50 N -3.67 0.00 -0.11 0.92 8.25 0.26 -1.73 115.22 119.13 1xdx n HIS 50 Ca -0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.17 1xdx n HIS 50 Cb 0.87 -0.08 -0.09 0.00 1.12 0.00 0.00 29.99 31.81 1xdx n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xdx h ILE 52 N -1.00 1.24 0.00 0.00 -0.00 -1.31 -1.55 117.51 114.89 1xdx h ILE 52 Ca -0.43 -0.44 -0.18 0.00 -0.00 0.00 0.00 64.86 63.81 1xdx h ILE 52 Cb 1.33 -0.10 -0.03 0.00 -0.00 0.00 0.00 36.82 38.03 1xdx h ILE 52 CO -0.26 0.23 -0.83 0.11 -0.00 0.00 0.00 178.15 177.40 1xdx h LYS 53 N 1.24 0.00 0.02 2.19 1.79 -1.53 -2.89 116.57 117.39 1xdx h LYS 53 Ca 0.33 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1xdx h LYS 53 Cb -0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 1xdx h LYS 53 CO -0.07 0.83 -0.01 0.00 -1.08 0.00 0.00 179.45 179.12 1xdx h ARG 54 N 0.00 -0.02 -0.35 3.15 2.47 -1.19 0.38 114.38 118.82 1xdx h ARG 54 Ca -0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1xdx h ARG 54 Cb 1.48 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.79 1xdx h ARG 54 CO 0.11 0.28 0.21 -0.07 0.56 0.00 0.00 179.97 181.06 1xdx h LEU 55 N -0.33 0.42 -1.00 3.04 3.38 -1.38 0.35 115.31 119.79 1xdx h LEU 55 Ca -0.00 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1xdx h LEU 55 Cb 0.32 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1xdx h LEU 55 CO 0.00 0.35 -0.12 0.71 0.09 0.00 0.00 178.44 179.48 1xdx h THR 56 N 0.45 1.24 -0.34 0.22 1.35 -1.49 -1.45 112.91 112.89 1xdx h THR 56 Ca 0.13 -1.07 -0.05 0.00 -0.55 0.00 0.00 66.41 64.86 1xdx h THR 56 Cb 0.01 1.12 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 1xdx h THR 56 CO -0.02 0.36 0.01 0.00 -0.25 0.00 0.00 175.52 175.61 1xdx h ALA 57 N 1.33 1.38 0.13 6.62 0.00 0.46 -3.21 119.26 125.97 1xdx h ALA 57 Ca 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1xdx h ALA 57 Cb 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xdx h ALA 57 CO 0.03 0.43 -0.06 -0.07 0.00 0.00 0.00 179.25 179.58 1xdx h LEU 58 N 0.50 -0.15 0.00 0.00 4.07 -0.16 -3.50 115.31 116.08 1xdx h LEU 58 Ca 0.11 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1xdx h LEU 58 Cb 0.31 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.09 1xdx h LEU 58 CO 0.01 -0.05 0.00 -0.46 -1.08 0.00 0.00 178.44 176.86 1xdx n ASN 59 N -2.77 0.00 -4.21 -0.43 0.23 -0.62 -5.11 115.26 102.35 1xdx n ASN 59 Ca -0.02 0.00 -0.19 0.00 -0.53 0.00 0.00 54.58 53.84 1xdx n ASN 59 Cb 0.07 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.65 1xdx n ASN 59 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1xdx s LYS 60 N 0.00 0.92 0.00 -3.83 1.02 -1.25 -4.62 119.74 111.97 1xdx s LYS 60 Ca 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.91 1xdx s LYS 60 Cb 0.00 -0.89 0.00 0.00 -0.52 0.00 0.00 37.83 36.42 1xdx s LYS 60 CO 0.00 0.19 0.00 -2.30 -0.92 0.00 0.00 175.35 172.32 1xdx n PRO 61 N 0.97 1.25 0.00 -1.68 -0.02 -1.26 -4.88 135.00 129.38 1xdx n PRO 61 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1xdx n PRO 61 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 1xdx n PRO 61 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xdx n PHE 62 N -0.13 0.00 -3.15 6.00 -0.00 -1.26 -4.69 117.46 114.23 1xdx n PHE 62 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.04 1xdx n PHE 62 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 39.48 39.41 1xdx n PHE 62 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1xdx s LYS 63 N -0.99 3.79 0.06 -4.13 2.20 -1.18 -4.93 119.74 114.56 1xdx s LYS 63 Ca 0.00 0.13 0.04 0.00 -0.36 0.00 0.00 55.97 55.79 1xdx s LYS 63 Cb 0.00 -3.76 -0.03 0.00 -1.51 0.00 0.00 37.83 32.53 1xdx s LYS 63 CO 0.00 -0.62 -0.13 1.52 -0.36 0.00 0.00 175.35 175.76 1xdx s TYR 64 N 2.58 1.09 -0.09 4.03 -0.85 -1.26 0.28 117.35 123.12 1xdx s TYR 64 Ca 0.23 -0.43 -0.00 0.00 -0.52 0.00 0.00 57.07 56.35 1xdx s TYR 64 Cb -0.15 -0.63 -0.03 0.00 0.38 0.00 0.00 41.96 41.54 1xdx s TYR 64 CO 0.13 0.02 -0.06 0.54 -1.52 0.00 0.00 175.55 174.66 1xdx s VAL 65 N -1.15 3.72 -0.15 -3.49 0.11 0.17 -4.91 120.40 114.70 1xdx s VAL 65 Ca -0.03 -0.46 -0.02 0.00 -2.93 0.00 0.00 61.98 58.55 1xdx s VAL 65 Cb -0.09 -2.55 0.05 0.00 -1.53 0.00 0.00 36.38 32.25 1xdx s VAL 65 CO 0.02 0.57 -0.00 -0.69 -3.33 0.00 0.00 175.10 171.66 1xdx s VAL 66 N -0.47 0.68 0.02 2.04 1.01 -1.26 0.20 120.40 122.61 1xdx s VAL 66 Ca 0.07 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1xdx s VAL 66 Cb -0.12 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1xdx s VAL 66 CO 0.02 0.03 -0.06 0.28 0.00 0.00 0.00 175.10 175.37 1xdx s THR 67 N 1.82 0.42 -0.03 3.92 -1.32 -0.56 -4.94 115.64 114.95 1xdx s THR 67 Ca 0.01 -0.58 -0.01 0.00 -1.21 0.00 0.00 61.69 59.90 1xdx s THR 67 Cb -0.15 -0.42 0.03 0.00 -1.51 0.00 0.00 72.50 70.44 1xdx s THR 67 CO -0.07 -0.12 0.05 0.00 -2.21 0.00 0.00 174.62 172.27 1xdx s ILE 69 N 0.84 3.45 0.00 0.00 1.09 0.20 -4.96 121.20 121.81 1xdx s ILE 69 Ca -0.07 -0.48 -0.11 0.00 -1.10 0.00 0.00 60.65 58.90 1xdx s ILE 69 Cb -0.10 -2.55 -0.05 0.00 -1.06 0.00 0.00 42.46 38.70 1xdx s ILE 69 CO -0.03 0.44 0.34 0.27 -0.10 0.00 0.00 174.94 175.86 1xdx s ILE 70 N 1.26 5.17 -0.37 2.92 -4.36 -1.26 -1.40 121.20 123.15 1xdx s ILE 70 Ca 0.03 0.53 0.03 0.00 -0.26 0.00 0.00 60.65 60.98 1xdx s ILE 70 Cb -0.14 -3.62 0.11 0.00 1.25 0.00 0.00 42.46 40.05 1xdx s ILE 70 CO -0.01 0.48 0.11 -0.04 0.24 0.00 0.00 174.94 175.72 1xdx s MET 71 N -1.39 1.40 0.39 0.37 -1.94 -0.12 -5.01 119.30 113.00 1xdx s MET 71 Ca 0.25 -1.86 -0.25 0.00 -1.71 0.00 0.00 55.69 52.12 1xdx s MET 71 Cb -0.15 -2.91 -0.09 0.00 2.01 0.00 0.00 34.83 33.69 1xdx s MET 71 CO 0.13 -1.00 1.07 -1.14 -0.01 0.00 0.00 175.02 174.08 1xdx s GLN 72 N 0.79 4.20 2.22 2.03 0.74 -1.26 -1.48 119.66 126.89 1xdx s GLN 72 Ca 0.12 1.59 0.00 0.00 0.05 0.00 0.00 55.36 57.12 1xdx s GLN 72 Cb -0.20 -2.63 0.00 0.00 1.10 0.00 0.00 33.01 31.27 1xdx s GLN 72 CO -0.09 -0.13 0.00 1.17 -0.55 0.00 0.00 175.29 175.69 1xdx n LYS 73 N 0.09 0.00 -2.08 1.67 3.00 -1.26 -4.51 118.16 115.07 1xdx n LYS 73 Ca 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.30 1xdx n LYS 73 Cb 0.49 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.57 1xdx n LYS 73 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1xdx n ASN 74 N -3.04 2.40 -2.46 3.14 6.94 -1.26 -4.55 115.26 116.43 1xdx n ASN 74 Ca 0.00 -2.73 -0.00 0.00 -0.02 0.00 0.00 54.58 51.83 1xdx n ASN 74 Cb 0.00 -0.41 0.04 0.00 -2.36 0.00 0.00 39.78 37.05 1xdx n ASN 74 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xdx n GLY 75 N -0.49 1.85 3.22 4.83 0.00 -1.26 -5.08 105.19 108.25 1xdx n GLY 75 Ca 0.18 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 1xdx n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xdx s ALA 76 N -2.90 1.71 -0.25 4.61 0.00 -1.26 -5.12 121.76 118.54 1xdx s ALA 76 Ca 0.30 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1xdx s ALA 76 Cb 0.34 -0.43 0.06 0.00 0.00 0.00 0.00 23.12 23.09 1xdx s ALA 76 CO -0.07 0.42 -0.07 0.20 0.00 0.00 0.00 175.76 176.24 1xdx s GLY 77 N -0.49 1.52 -0.12 0.00 0.00 -1.26 -5.08 107.32 101.89 1xdx s GLY 77 Ca 0.08 -1.64 -0.03 0.00 0.00 0.00 0.00 44.72 43.12 1xdx s GLY 77 CO -0.01 0.77 0.06 -2.27 0.00 0.00 0.00 173.10 171.65 1xdx s LEU 78 N 1.22 0.45 -0.25 0.66 0.20 -1.26 -5.13 118.68 114.57 1xdx s LEU 78 Ca -0.06 -0.37 -0.10 0.00 0.69 0.00 0.00 54.13 54.29 1xdx s LEU 78 Cb -0.19 -0.30 -0.05 0.00 -0.43 0.00 0.00 46.19 45.22 1xdx s LEU 78 CO -0.06 -0.29 0.16 -1.00 -0.29 0.00 0.00 176.35 174.87 1xdx s HIS 79 N 2.08 3.28 0.11 5.38 3.76 -1.26 -5.09 115.29 123.55 1xdx s HIS 79 Ca 0.03 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.11 1xdx s HIS 79 Cb -0.14 -2.29 -0.04 0.00 1.11 0.00 0.00 32.58 31.21 1xdx s HIS 79 CO -0.07 -0.01 0.26 0.99 -0.85 0.00 0.00 174.74 175.07 1xdx s THR 80 N 1.26 5.33 0.04 1.30 2.01 -1.26 -5.12 115.64 119.20 1xdx s THR 80 Ca 0.07 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.68 1xdx s THR 80 Cb -0.14 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1xdx s THR 80 CO 0.06 0.04 -0.10 0.00 -0.69 0.00 0.00 174.62 173.93 1xdx s ALA 81 N -1.62 0.77 -0.26 7.40 0.00 -1.26 -5.15 121.76 121.63 1xdx s ALA 81 Ca 0.36 -0.75 -0.20 0.00 0.00 0.00 0.00 51.96 51.37 1xdx s ALA 81 Cb -0.12 -0.04 0.07 0.00 0.00 0.00 0.00 23.12 23.03 1xdx s ALA 81 CO 0.28 0.07 0.66 0.00 0.00 0.00 0.00 175.76 176.77 1xdx s ALA 82 N -1.11 -1.70 -0.11 0.00 0.00 -1.26 -5.14 121.76 112.43 1xdx s ALA 82 Ca -0.05 2.06 -0.04 0.00 0.00 0.00 0.00 51.96 53.93 1xdx s ALA 82 Cb -0.09 -1.21 0.06 0.00 0.00 0.00 0.00 23.12 21.88 1xdx s ALA 82 CO 0.01 -0.34 0.17 0.45 0.00 0.00 0.00 175.76 176.05 1xdx s SER 83 N 0.87 0.90 0.28 0.00 0.15 -1.26 -5.16 113.70 109.47 1xdx s SER 83 Ca -0.04 0.23 0.11 0.00 0.70 0.00 0.00 55.95 56.95 1xdx s SER 83 Cb -0.05 0.29 -0.05 0.00 -1.71 0.00 0.00 66.02 64.50 1xdx s SER 83 CO -0.07 -0.26 -0.16 0.00 1.20 0.00 0.00 173.24 173.95 1xdx n TRP 85 N -0.68 -3.84 -3.17 0.00 -0.00 -1.26 -5.03 117.44 103.46 1xdx n TRP 85 Ca -0.05 -0.86 -0.38 0.00 -0.00 0.00 0.00 57.50 56.21 1xdx n TRP 85 Cb 0.60 -0.87 -0.06 0.00 -0.00 0.00 0.00 31.31 30.98 1xdx n TRP 85 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1xdx s TRP 86 N -2.91 3.77 -0.30 5.87 0.51 -1.26 -5.04 118.94 119.59 1xdx s TRP 86 Ca 0.58 1.37 -0.16 0.00 -2.12 0.00 0.00 56.10 55.77 1xdx s TRP 86 Cb -0.04 -2.58 0.18 0.00 -0.81 0.00 0.00 33.47 30.22 1xdx s TRP 86 CO 0.43 0.50 1.18 0.34 -0.51 0.00 0.00 176.95 178.88 1xdx s ASP 87 N -1.31 -0.15 0.30 2.95 -1.08 -1.26 -5.03 116.67 111.08 1xdx s ASP 87 Ca 0.35 0.06 0.10 0.00 -0.52 0.00 0.00 52.55 52.54 1xdx s ASP 87 Cb -0.19 1.12 0.45 0.00 -1.46 0.00 0.00 42.92 42.84 1xdx s ASP 87 CO 0.21 -0.03 1.68 0.28 0.52 0.00 0.00 175.17 177.83 1xdx h SER 88 N 7.64 0.07 -0.14 -0.34 0.02 -1.97 -3.17 113.55 115.66 1xdx h SER 88 Ca -0.11 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 1xdx h SER 88 Cb 1.18 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 1xdx h SER 88 CO -0.19 0.58 -0.09 0.00 -1.14 0.00 0.00 176.83 175.99 1xdx h THR 89 N 0.05 1.33 -2.53 -2.27 1.03 -1.94 -3.30 112.91 105.28 1xdx h THR 89 Ca -0.00 -1.17 -0.81 0.00 -0.01 0.00 0.00 66.41 64.42 1xdx h THR 89 Cb 0.94 1.79 -0.27 0.00 -1.07 0.00 0.00 68.15 69.54 1xdx h THR 89 CO 0.07 0.34 0.97 0.35 -0.01 0.00 0.00 175.52 177.24 1xdx n THR 90 N -4.63 5.71 -3.64 0.00 -2.24 -1.20 0.65 114.28 108.93 1xdx n THR 90 Ca -0.06 -5.91 -0.29 0.00 -2.27 0.00 0.00 64.05 55.52 1xdx n THR 90 Cb 0.31 -1.83 -0.14 0.00 -2.10 0.00 0.00 70.33 66.57 1xdx n THR 90 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xdx s ASP 91 N -1.49 3.72 0.00 3.42 2.15 -1.23 -4.80 116.67 118.44 1xdx s ASP 91 Ca 0.35 -1.75 0.00 0.00 0.43 0.00 0.00 52.55 51.59 1xdx s ASP 91 Cb 0.12 -0.69 0.00 0.00 -0.30 0.00 0.00 42.92 42.05 1xdx s ASP 91 CO -0.01 -0.39 0.61 0.61 -0.17 0.00 0.00 175.17 175.82 1xdx n GLY 92 N 4.68 0.85 3.66 2.66 0.00 -1.08 -4.80 105.19 111.16 1xdx n GLY 92 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1xdx n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xdx s SER 93 N -0.24 6.54 -0.10 1.61 1.04 -1.26 -1.31 113.70 119.99 1xdx s SER 93 Ca 0.00 2.34 -0.05 0.00 0.48 0.00 0.00 55.95 58.71 1xdx s SER 93 Cb 0.00 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.63 1xdx s SER 93 CO 0.00 -1.02 0.23 -0.13 0.98 0.00 0.00 173.24 173.30 1xdx s ARG 94 N 4.28 0.20 0.10 4.02 0.52 -0.20 -4.95 118.95 122.93 1xdx s ARG 94 Ca 0.79 0.47 0.04 0.00 -0.52 0.00 0.00 55.73 56.51 1xdx s ARG 94 Cb -0.36 -0.08 -0.04 0.00 0.52 0.00 0.00 34.95 34.99 1xdx s ARG 94 CO 0.34 -0.14 0.05 -0.08 0.02 0.00 0.00 175.30 175.49 1xdx s THR 95 N 1.03 4.25 -0.13 0.02 -1.32 -1.26 0.73 115.64 118.96 1xdx s THR 95 Ca -0.08 -0.94 -0.01 0.00 -1.21 0.00 0.00 61.69 59.45 1xdx s THR 95 Cb -0.09 -3.06 0.04 0.00 -1.51 0.00 0.00 72.50 67.88 1xdx s THR 95 CO -0.07 0.08 -0.01 -0.69 -2.21 0.00 0.00 174.62 171.72 1xdx s VAL 96 N -1.42 0.68 -0.35 5.08 1.01 0.14 -3.17 120.40 122.36 1xdx s VAL 96 Ca 0.28 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 1xdx s VAL 96 Cb -0.12 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1xdx s VAL 96 CO 0.20 0.13 0.39 -0.60 0.00 0.00 0.00 175.10 175.22 1xdx s ARG 97 N 1.83 3.50 -0.02 2.72 6.06 -1.26 0.22 118.95 132.00 1xdx s ARG 97 Ca 0.03 -0.44 -0.08 0.00 -2.50 0.00 0.00 55.73 52.74 1xdx s ARG 97 Cb -0.14 -3.83 -0.05 0.00 0.06 0.00 0.00 34.95 30.99 1xdx s ARG 97 CO -0.07 -0.58 0.26 -1.58 -2.50 0.00 0.00 175.30 170.83 1xdx s TRP 98 N 2.07 3.61 -0.10 5.12 0.23 0.97 -4.01 118.94 126.82 1xdx s TRP 98 Ca 0.12 0.64 -0.06 0.00 -2.03 0.00 0.00 56.10 54.77 1xdx s TRP 98 Cb -0.17 -2.03 0.04 0.00 0.03 0.00 0.00 33.47 31.34 1xdx s TRP 98 CO 0.12 0.65 0.25 -1.21 0.96 0.00 0.00 176.95 177.72 1xdx s GLU 99 N -1.47 0.23 0.00 4.98 2.02 -1.26 -1.07 118.70 122.12 1xdx s GLU 99 Ca 0.24 0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.73 1xdx s GLU 99 Cb -0.13 -0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.04 1xdx s GLU 99 CO 0.13 -0.13 0.00 0.27 0.02 0.00 0.00 175.26 175.55 1xdx n ASN 100 N 3.92 0.00 -0.07 -0.19 0.23 -1.25 -1.27 115.26 116.62 1xdx n ASN 100 Ca -0.22 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.74 1xdx n ASN 100 Cb 0.54 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.19 1xdx n ASN 100 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1xdx h LYS 101 N 0.00 0.00 0.00 -3.83 3.11 -1.85 0.41 116.57 114.41 1xdx h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1xdx h LYS 101 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1xdx h LYS 101 CO 0.00 0.39 0.00 0.45 -2.81 0.00 0.00 179.45 177.48 1xdx n SER 102 N -4.61 0.00 -4.74 4.20 2.88 -1.26 -4.63 113.62 105.46 1xdx n SER 102 Ca -0.12 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.04 1xdx n SER 102 Cb 0.34 0.22 0.05 0.00 -0.75 0.00 0.00 64.21 64.07 1xdx n SER 102 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1xdx s MET 103 N -1.66 2.87 0.13 -1.46 -1.94 -1.26 -4.78 119.30 111.19 1xdx s MET 103 Ca 0.00 2.14 0.09 0.00 -1.71 0.00 0.00 55.69 56.21 1xdx s MET 103 Cb 0.00 -2.06 -0.04 0.00 2.01 0.00 0.00 34.83 34.74 1xdx s MET 103 CO 0.00 -1.38 -0.18 0.71 -0.01 0.00 0.00 175.02 174.16 1xdx s TYR 104 N -1.35 2.52 -0.27 -0.03 1.51 -0.55 -3.90 117.35 115.27 1xdx s TYR 104 Ca 0.77 -0.27 -0.04 0.00 -1.01 0.00 0.00 57.07 56.52 1xdx s TYR 104 Cb -0.39 -1.32 0.09 0.00 -0.11 0.00 0.00 41.96 40.24 1xdx s TYR 104 CO 0.43 0.41 0.13 0.00 -1.11 0.00 0.00 175.55 175.41 1xdx s ILE 106 N 2.11 5.23 -0.11 0.00 2.07 -0.49 -0.02 121.20 129.99 1xdx s ILE 106 Ca 0.08 0.48 0.00 0.00 -1.41 0.00 0.00 60.65 59.80 1xdx s ILE 106 Cb -0.16 -3.65 0.02 0.00 0.13 0.00 0.00 42.46 38.80 1xdx s ILE 106 CO -0.32 0.22 -0.09 0.00 -1.91 0.00 0.00 174.94 172.83 1xdx s THR 108 N 1.44 3.46 -0.17 0.00 -1.32 0.15 0.23 115.64 119.43 1xdx s THR 108 Ca 0.01 -0.55 -0.01 0.00 -1.21 0.00 0.00 61.69 59.92 1xdx s THR 108 Cb -0.13 -2.42 -0.00 0.00 -1.51 0.00 0.00 72.50 68.43 1xdx s THR 108 CO -0.06 0.57 -0.12 -0.69 -2.21 0.00 0.00 174.62 172.11 1xdx s VAL 109 N -0.41 2.92 -0.48 5.08 1.01 0.22 -1.49 120.40 127.25 1xdx s VAL 109 Ca 0.05 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 1xdx s VAL 109 Cb -0.12 -2.26 0.12 0.00 0.00 0.00 0.00 36.38 34.11 1xdx s VAL 109 CO 0.02 0.49 0.37 -0.36 0.00 0.00 0.00 175.10 175.62 1xdx s PHE 110 N 0.96 3.39 -1.00 5.22 0.40 0.13 -1.03 117.98 126.05 1xdx s PHE 110 Ca -0.02 -1.73 -0.22 0.00 -0.60 0.00 0.00 56.93 54.36 1xdx s PHE 110 Cb -0.15 -3.51 0.06 0.00 0.51 0.00 0.00 43.02 39.94 1xdx s PHE 110 CO -0.01 -0.99 1.39 0.20 0.70 0.00 0.00 175.22 176.51 1xdx s GLY 111 N 2.80 1.38 -0.35 4.36 0.00 -0.43 0.47 107.32 115.55 1xdx s GLY 111 Ca 0.05 -2.34 -0.16 0.00 0.00 0.00 0.00 44.72 42.27 1xdx s GLY 111 CO 0.00 2.56 0.41 1.08 0.00 0.00 0.00 173.10 177.16 1xdx s LEU 112 N 4.57 4.43 -1.08 0.66 1.02 0.14 -2.62 118.68 125.80 1xdx s LEU 112 Ca 0.43 -0.18 -0.26 0.00 0.02 0.00 0.00 54.13 54.15 1xdx s LEU 112 Cb -0.01 -2.42 -0.18 0.00 0.02 0.00 0.00 46.19 43.60 1xdx s LEU 112 CO -0.10 -0.39 2.09 0.00 0.02 0.00 0.00 176.35 177.97 1xdx s ALA 113 N 2.14 0.85 0.00 4.21 0.00 0.21 -3.10 121.76 126.07 1xdx s ALA 113 Ca 0.14 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.52 1xdx s ALA 113 Cb -0.16 -4.68 0.00 0.00 0.00 0.00 0.00 23.12 18.28 1xdx s ALA 113 CO 0.12 -6.35 0.00 -0.89 0.00 0.00 0.00 175.76 168.64