#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xdx s GLU 2 N 0.00 2.67 0.00 2.12 2.12 -1.26 -4.20 118.70 120.15 1xdx s GLU 2 Ca 0.00 0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.72 1xdx s GLU 2 Cb 0.00 -2.01 0.00 0.00 0.26 0.00 0.00 34.13 32.38 1xdx s GLU 2 CO 0.00 -1.15 0.00 0.41 -0.54 0.00 0.00 175.26 173.98 1xdx n GLY 3 N -3.07 2.79 3.65 -1.50 0.00 -1.26 -5.00 105.19 100.79 1xdx n GLY 3 Ca 0.07 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.40 5.09 -0.41 1.61 1.01 -1.26 -4.79 120.40 121.26 1xdx s VAL 4 Ca 0.00 0.94 -0.05 0.00 0.00 0.00 0.00 61.98 62.87 1xdx s VAL 4 Cb 0.00 -3.84 0.10 0.00 0.00 0.00 0.00 36.38 32.64 1xdx s VAL 4 CO 0.00 0.14 0.21 -0.62 0.00 0.00 0.00 175.10 174.83 1xdx s ASP 5 N 1.28 5.35 -0.06 3.32 -1.08 0.45 -5.01 116.67 120.93 1xdx s ASP 5 Ca 0.23 -1.82 -0.30 0.00 -0.52 0.00 0.00 52.55 50.15 1xdx s ASP 5 Cb -0.15 -1.87 -0.06 0.00 -1.46 0.00 0.00 42.92 39.37 1xdx s ASP 5 CO 0.09 -0.53 1.79 -2.16 0.52 0.00 0.00 175.17 174.88 1xdx s PRO 6 N 1.24 4.05 0.00 4.34 0.04 -1.25 -3.72 135.00 139.70 1xdx s PRO 6 Ca 0.05 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1xdx s PRO 6 Cb -0.23 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1xdx s PRO 6 CO -0.02 -1.02 0.00 0.00 0.04 0.00 0.00 177.00 175.99 1xdx n ALA 7 N 7.74 0.00 0.00 8.56 0.00 -0.20 -4.78 120.51 131.83 1xdx n ALA 7 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1xdx n ALA 7 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 0.00 -3.10 0.00 0.31 -1.26 -3.86 118.33 110.42 1xdx n VAL 8 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.89 1xdx n VAL 8 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1xdx n VAL 8 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1xdx s GLU 9 N 0.00 4.09 -0.08 5.55 2.02 -1.26 -5.01 118.70 124.01 1xdx s GLU 9 Ca 0.00 -2.77 -0.30 0.00 0.02 0.00 0.00 54.97 51.92 1xdx s GLU 9 Cb 0.00 -4.85 -0.05 0.00 0.10 0.00 0.00 34.13 29.33 1xdx s GLU 9 CO 0.00 -1.56 1.65 -2.00 0.02 0.00 0.00 175.26 173.37 1xdx s GLU 10 N 0.54 4.11 0.31 1.61 -6.30 -1.26 -4.10 118.70 113.61 1xdx s GLU 10 Ca 0.37 2.10 0.09 0.00 -2.50 0.00 0.00 54.97 55.03 1xdx s GLU 10 Cb -0.06 -4.00 -0.04 0.00 0.00 0.00 0.00 34.13 30.03 1xdx s GLU 10 CO -0.04 -0.93 0.10 0.00 0.02 0.00 0.00 175.26 174.41 1xdx s ALA 11 N 4.27 3.39 0.04 6.30 0.00 -1.26 -4.98 121.76 129.51 1xdx s ALA 11 Ca 0.73 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1xdx s ALA 11 Cb -0.32 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1xdx s ALA 11 CO 0.29 0.11 0.00 0.00 0.00 0.00 0.00 175.76 176.17 1xdx n ALA 12 N -1.07 -2.84 -0.01 0.00 0.00 -1.09 -4.62 120.51 110.88 1xdx n ALA 12 Ca -0.04 0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.49 1xdx n ALA 12 Cb 0.60 -0.66 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 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 0.30 0.00 -3.93 0.00 -0.00 -1.26 -5.01 117.46 107.56 1xdx n PHE 13 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.23 1xdx n PHE 13 Cb 0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 39.48 39.32 1xdx n PHE 13 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1xdx s VAL 14 N -2.28 5.27 -1.24 -2.13 1.01 -1.26 -4.54 120.40 115.22 1xdx s VAL 14 Ca -0.02 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1xdx s VAL 14 Cb 0.03 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 1xdx s VAL 14 CO 0.20 -0.28 0.83 0.00 0.00 0.00 0.00 175.10 175.84 1xdx n ALA 15 N -1.21 -2.07 -0.10 5.51 0.00 -1.26 -4.77 120.51 116.61 1xdx n ALA 15 Ca -0.08 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.38 1xdx n ALA 15 Cb 0.56 -2.44 0.52 0.00 0.00 0.00 0.00 19.45 18.09 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 -1.83 0.34 -0.65 0.00 3.58 -1.95 -0.36 116.42 115.55 1xdx h ASP 16 Ca -0.61 0.01 0.07 0.00 0.42 0.00 0.00 57.03 56.93 1xdx h ASP 16 Cb 1.35 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 42.28 1xdx h ASP 16 CO 0.53 0.20 0.33 -0.78 -2.88 0.00 0.00 179.24 176.64 1xdx h ASP 17 N 0.37 0.46 0.89 2.28 3.58 -1.98 -0.84 116.42 121.18 1xdx h ASP 17 Ca 0.30 0.04 -0.23 0.00 0.42 0.00 0.00 57.03 57.56 1xdx h ASP 17 Cb 0.66 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 1xdx h ASP 17 CO -0.08 0.29 -1.11 0.58 -2.88 0.00 0.00 179.24 176.03 1xdx h VAL 18 N 0.60 1.60 -0.86 2.25 2.07 -1.66 -3.29 116.25 116.96 1xdx h VAL 18 Ca 0.30 -3.30 -0.00 0.00 0.82 0.00 0.00 66.70 64.53 1xdx h VAL 18 Cb 0.26 2.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.81 1xdx h VAL 18 CO -0.22 0.92 0.53 0.28 0.02 0.00 0.00 177.57 179.11 1xdx h SER 19 N 0.01 1.02 0.21 0.57 0.02 -0.32 -2.02 113.55 113.04 1xdx h SER 19 Ca -0.06 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.72 1xdx h SER 19 Cb 1.83 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 64.10 1xdx h SER 19 CO 0.14 0.77 -0.48 -0.55 -1.14 0.00 0.00 176.83 175.57 1xdx h ASN 20 N 1.18 0.34 0.40 3.07 -1.07 -1.27 -3.05 115.58 115.19 1xdx h ASN 20 Ca 0.31 -0.16 -0.02 0.00 0.07 0.00 0.00 56.30 56.50 1xdx h ASN 20 Cb -0.08 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 36.08 1xdx h ASN 20 CO -0.06 0.77 -0.19 0.40 0.07 0.00 0.00 177.43 178.41 1xdx h ILE 21 N 0.25 0.61 -0.14 6.14 2.04 -1.44 0.15 117.51 125.13 1xdx h ILE 21 Ca 0.01 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1xdx h ILE 21 Cb 0.94 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1xdx h ILE 21 CO 0.08 0.02 0.03 -0.29 0.00 0.00 0.00 178.15 177.99 1xdx h ILE 22 N -0.60 0.95 0.11 -0.67 6.09 -1.52 0.24 117.51 122.11 1xdx h ILE 22 Ca -0.06 -0.03 -0.01 0.00 -1.37 0.00 0.00 64.86 63.40 1xdx h ILE 22 Cb 0.45 0.85 0.00 0.00 0.47 0.00 0.00 36.82 38.59 1xdx h ILE 22 CO 0.09 0.02 -0.05 0.11 -3.07 0.00 0.00 178.15 175.25 1xdx h LYS 23 N 0.10 -0.14 -0.92 2.19 1.57 -1.53 -1.42 116.57 116.42 1xdx h LYS 23 Ca 0.06 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 59.05 1xdx h LYS 23 Cb 0.05 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 1xdx h LYS 23 CO -0.07 0.06 0.60 0.93 -0.57 0.00 0.00 179.45 180.40 1xdx h GLU 24 N -0.33 0.43 -0.24 3.15 3.07 -0.57 0.12 114.58 120.22 1xdx h GLU 24 Ca -0.01 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.77 1xdx h GLU 24 Cb 0.27 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1xdx h GLU 24 CO 0.02 0.29 -0.03 0.77 -1.40 0.00 0.00 179.01 178.66 1xdx h SER 25 N 0.45 0.44 -0.54 1.42 0.02 -0.45 -2.81 113.55 112.07 1xdx h SER 25 Ca 0.49 -0.34 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 1xdx h SER 25 Cb 1.15 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.53 1xdx h SER 25 CO -0.20 0.67 0.30 0.40 -1.14 0.00 0.00 176.83 176.86 1xdx h ILE 26 N 0.19 1.00 -0.96 3.27 5.03 0.26 1.27 117.51 127.57 1xdx h ILE 26 Ca 0.06 -0.20 0.21 0.00 -0.12 0.00 0.00 64.86 64.81 1xdx h ILE 26 Cb 0.47 0.37 -0.08 0.00 -3.03 0.00 0.00 36.82 34.54 1xdx h ILE 26 CO 0.02 0.11 0.62 -0.78 -0.68 0.00 0.00 178.15 177.43 1xdx h ASP 27 N 0.58 0.54 0.08 1.72 3.58 -1.07 0.68 116.42 122.54 1xdx h ASP 27 Ca 0.23 0.06 -0.29 0.00 0.42 0.00 0.00 57.03 57.46 1xdx h ASP 27 Cb 0.09 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 1xdx h ASP 27 CO -0.13 0.20 -1.54 0.00 -2.88 0.00 0.00 179.24 174.88 1xdx h ALA 28 N 1.62 0.29 0.00 -0.78 0.00 -0.94 -1.24 119.26 118.21 1xdx h ALA 28 Ca 0.52 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1xdx h ALA 28 Cb 1.12 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1xdx h ALA 28 CO -0.26 0.94 0.00 0.28 0.00 0.00 0.00 179.25 180.21 1xdx n VAL 29 N -3.97 0.86 0.00 0.00 0.31 0.43 -1.58 118.33 114.38 1xdx n VAL 29 Ca -0.30 0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1xdx n VAL 29 Cb 0.87 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 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 -1.35 2.11 0.18 7.52 7.99 0.23 -4.68 117.00 129.00 1xdx n LEU 30 Ca 0.05 0.00 0.06 0.00 -0.01 0.00 0.00 56.01 56.10 1xdx n LEU 30 Cb 0.10 0.00 0.23 0.00 -0.11 0.00 0.00 43.42 43.65 1xdx n LEU 30 CO 0.09 0.35 0.63 -0.61 -1.51 0.00 0.00 177.39 176.34 1xdx h GLN 31 N 0.00 0.00 -0.47 3.23 4.15 -1.23 -3.21 115.11 117.58 1xdx h GLN 31 Ca 0.00 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.56 1xdx h GLN 31 Cb 0.84 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.51 1xdx h GLN 31 CO 0.00 0.38 0.55 -2.95 -1.93 0.00 0.00 178.83 174.88 1xdx h ASN 32 N 0.00 0.00 -1.60 -0.69 7.08 -1.47 -3.43 115.58 115.47 1xdx h ASN 32 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1xdx h ASN 32 Cb 1.07 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.31 1xdx h ASN 32 CO 0.05 0.00 0.00 1.67 -2.08 0.00 0.00 177.43 177.07 1xdx n GLN 33 N -3.58 0.00 -2.17 4.14 -0.06 -1.21 -5.14 117.38 109.35 1xdx n GLN 33 Ca 0.09 0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 54.85 1xdx n GLN 33 Cb 0.74 0.00 0.14 0.00 -4.06 0.00 0.00 30.24 27.06 1xdx n GLN 33 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1xdx n GLN 34 N 0.00 -0.50 -2.76 3.69 -0.06 -1.26 -4.96 117.38 111.53 1xdx n GLN 34 Ca 0.00 -2.29 -0.43 0.00 -2.00 0.00 0.00 57.00 52.28 1xdx n GLN 34 Cb 0.00 -0.87 -0.03 0.00 -4.06 0.00 0.00 30.24 25.28 1xdx n GLN 34 CO 0.00 0.00 0.00 -0.47 -0.20 0.00 0.00 177.06 176.39 1xdx s TYR 35 N -3.18 2.91 -0.04 3.69 5.04 -1.26 -5.00 117.35 119.51 1xdx s TYR 35 Ca 0.65 0.52 0.01 0.00 -2.44 0.00 0.00 57.07 55.81 1xdx s TYR 35 Cb -0.03 -4.05 0.02 0.00 0.35 0.00 0.00 41.96 38.25 1xdx s TYR 35 CO 0.44 -1.11 -0.06 -1.12 -1.34 0.00 0.00 175.55 172.36 1xdx s SER 36 N 2.27 1.03 0.23 4.32 0.01 -1.26 -5.04 113.70 115.26 1xdx s SER 36 Ca 0.40 -0.15 -0.08 0.00 1.31 0.00 0.00 55.95 57.43 1xdx s SER 36 Cb -0.10 -0.49 0.20 0.00 0.21 0.00 0.00 66.02 65.85 1xdx s SER 36 CO 0.27 -0.04 1.86 -0.08 0.41 0.00 0.00 173.24 175.67 1xdx h GLU 37 N 7.09 1.20 -0.26 12.44 4.57 -1.98 0.45 114.58 138.09 1xdx h GLU 37 Ca -0.37 -0.12 0.08 0.00 -1.18 0.00 0.00 59.36 57.76 1xdx h GLU 37 Cb 1.16 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 1xdx h GLU 37 CO 0.48 0.86 0.23 0.00 -1.18 0.00 0.00 179.01 179.39 1xdx h ALA 38 N 1.28 2.07 0.00 2.92 0.00 -2.02 -0.16 119.26 123.35 1xdx h ALA 38 Ca 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1xdx h ALA 38 Cb -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xdx h ALA 38 CO -0.06 -0.37 -1.81 1.63 0.00 0.00 0.00 179.25 178.65 1xdx n LYS 39 N -4.11 0.65 0.02 0.00 4.01 -0.42 -3.99 118.16 114.33 1xdx n LYS 39 Ca 0.03 -0.13 0.22 0.00 -0.51 0.00 0.00 58.31 57.93 1xdx n LYS 39 Cb 0.38 -1.58 0.67 0.00 -0.51 0.00 0.00 35.03 33.99 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 0.27 0.00 -0.18 2.07 0.18 0.61 116.25 119.20 1xdx h VAL 40 Ca -0.02 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.35 1xdx h VAL 40 Cb 1.04 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1xdx h VAL 40 CO 0.00 0.00 -1.63 -0.24 0.02 0.00 0.00 177.57 175.72 1xdx n SER 41 N -3.57 2.66 0.08 0.57 2.88 -1.25 -4.51 113.62 110.49 1xdx n SER 41 Ca 0.11 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.56 1xdx n SER 41 Cb 0.84 0.83 -0.03 0.00 -0.75 0.00 0.00 64.21 65.11 1xdx n SER 41 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1xdx h GLN 42 N 0.00 0.19 0.59 -1.46 7.50 -1.37 -3.18 115.11 117.38 1xdx h GLN 42 Ca -0.22 -0.22 -0.03 0.00 0.50 0.00 0.00 58.65 58.68 1xdx h GLN 42 Cb 1.44 0.07 0.01 0.00 0.05 0.00 0.00 27.48 29.04 1xdx h GLN 42 CO 0.01 0.98 -0.28 -1.49 -1.50 0.00 0.00 178.83 176.55 1xdx h TRP 43 N 0.10 -0.74 -0.33 2.96 -0.00 -0.07 -1.65 115.95 116.22 1xdx h TRP 43 Ca -0.05 -0.02 0.10 0.00 -0.00 0.00 0.00 58.89 58.92 1xdx h TRP 43 Cb 1.57 0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 30.96 1xdx h TRP 43 CO 0.03 -0.45 0.41 0.00 -0.00 0.00 0.00 178.44 178.43 1xdx h THR 44 N -0.83 0.33 -0.48 1.49 1.03 -1.76 1.32 112.91 114.00 1xdx h THR 44 Ca -0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 66.19 1xdx h THR 44 Cb 0.62 0.66 -0.01 0.00 -1.07 0.00 0.00 68.15 68.35 1xdx h THR 44 CO 0.13 0.00 -0.20 0.77 -0.01 0.00 0.00 175.52 176.21 1xdx h SER 45 N 0.00 1.01 -0.41 0.00 4.64 -1.30 0.05 113.55 117.54 1xdx h SER 45 Ca 0.16 -0.38 -0.15 0.00 -0.47 0.00 0.00 61.79 60.96 1xdx h SER 45 Cb 0.98 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1xdx h SER 45 CO -0.00 1.17 -0.31 0.28 -0.87 0.00 0.00 176.83 177.10 1xdx h SER 46 N 0.85 0.99 -0.96 4.97 0.02 0.22 -2.11 113.55 117.53 1xdx h SER 46 Ca 0.11 -0.42 0.02 0.00 -0.84 0.00 0.00 61.79 60.67 1xdx h SER 46 Cb 0.78 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.99 1xdx h SER 46 CO 0.06 1.21 0.63 0.00 -1.14 0.00 0.00 176.83 177.60 1xdx h LEU 48 N 1.27 0.40 -0.02 0.00 4.07 -0.66 1.22 115.31 121.59 1xdx h LEU 48 Ca 0.36 -0.08 -0.25 0.00 0.08 0.00 0.00 57.88 57.99 1xdx h LEU 48 Cb -0.09 -0.11 0.01 0.00 1.08 0.00 0.00 40.66 41.55 1xdx h LEU 48 CO -0.09 0.51 -1.10 -0.08 -1.08 0.00 0.00 178.44 176.60 1xdx h GLU 49 N 0.40 0.37 -0.00 1.13 4.81 -0.41 -1.66 114.58 119.22 1xdx h GLU 49 Ca 0.08 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1xdx h GLU 49 Cb 0.37 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1xdx h GLU 49 CO 0.02 1.18 -0.04 0.72 -0.73 0.00 0.00 179.01 180.15 1xdx n HIS 50 N -3.66 0.00 -0.12 0.92 8.25 0.15 -1.86 115.22 118.90 1xdx n HIS 50 Ca -0.08 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.12 1xdx n HIS 50 Cb 0.93 -0.14 -0.11 0.00 1.12 0.00 0.00 29.99 31.80 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 0.95 -0.21 0.00 -0.00 -1.36 -1.52 117.51 114.38 1xdx h ILE 52 Ca -0.54 -0.06 -0.07 0.00 -0.00 0.00 0.00 64.86 64.19 1xdx h ILE 52 Cb 1.47 0.77 -0.01 0.00 -0.00 0.00 0.00 36.82 39.05 1xdx h ILE 52 CO -0.33 0.03 -0.16 0.11 -0.00 0.00 0.00 178.15 177.80 1xdx h LYS 53 N 0.17 0.35 -0.16 2.19 1.79 -1.57 -2.91 116.57 116.44 1xdx h LYS 53 Ca 0.09 -0.10 -0.08 0.00 -2.18 0.00 0.00 60.65 58.38 1xdx h LYS 53 Cb 0.05 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1xdx h LYS 53 CO -0.09 0.52 -0.22 -0.09 -1.08 0.00 0.00 179.45 178.49 1xdx h ARG 54 N 0.33 0.43 -0.38 3.15 9.65 -1.45 -2.84 114.38 123.27 1xdx h ARG 54 Ca 0.06 -0.25 0.11 0.00 -1.10 0.00 0.00 59.98 58.80 1xdx h ARG 54 Cb 0.48 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.07 1xdx h ARG 54 CO 0.03 0.83 0.28 -0.07 2.80 0.00 0.00 179.97 183.84 1xdx h LEU 55 N 0.06 0.00 -0.21 3.80 3.38 -1.16 0.70 115.31 121.87 1xdx h LEU 55 Ca 0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 1xdx h LEU 55 Cb 0.78 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.54 1xdx h LEU 55 CO 0.05 0.00 -0.79 0.71 0.09 0.00 0.00 178.44 178.50 1xdx h THR 56 N 0.00 1.30 -0.42 0.22 1.35 -1.37 0.25 112.91 114.24 1xdx h THR 56 Ca 0.18 -2.05 -0.07 0.00 -0.55 0.00 0.00 66.41 63.92 1xdx h THR 56 Cb 0.75 2.05 -0.02 0.00 -1.73 0.00 0.00 68.15 69.20 1xdx h THR 56 CO -0.00 0.64 -0.03 0.00 -0.25 0.00 0.00 175.52 175.87 1xdx h ALA 57 N 0.64 1.15 0.00 6.62 0.00 -0.69 -2.57 119.26 124.41 1xdx h ALA 57 Ca -0.05 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 1xdx h ALA 57 Cb 1.41 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1xdx h ALA 57 CO 0.16 0.54 -0.85 -0.07 0.00 0.00 0.00 179.25 179.03 1xdx h LEU 58 N 0.66 0.00 -3.33 0.00 3.38 -1.08 -3.49 115.31 111.45 1xdx h LEU 58 Ca 0.13 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.76 1xdx h LEU 58 Cb 0.46 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.21 1xdx h LEU 58 CO 0.02 0.72 -0.93 -0.46 0.09 0.00 0.00 178.44 177.88 1xdx n ASN 59 N -3.22 -5.85 -3.15 -0.43 0.23 0.88 -5.01 115.26 98.72 1xdx n ASN 59 Ca -0.01 -0.37 0.06 0.00 -0.53 0.00 0.00 54.58 53.73 1xdx n ASN 59 Cb 0.84 -2.58 -0.01 0.00 -2.08 0.00 0.00 39.78 35.95 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 -3.48 0.05 0.00 -3.83 1.02 -1.25 -4.91 119.74 107.35 1xdx s LYS 60 Ca 0.18 0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.25 1xdx s LYS 60 Cb -0.02 0.05 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 1xdx s LYS 60 CO 0.86 -0.07 0.00 -0.35 -0.92 0.00 0.00 175.35 174.87 1xdx n PRO 61 N 5.38 0.00 0.00 -1.68 -0.04 -1.26 -4.96 135.00 132.44 1xdx n PRO 61 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1xdx n PRO 61 Cb 0.56 -0.49 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 1xdx n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xdx n PHE 62 N -0.52 -0.03 -2.67 0.54 3.72 -1.25 -5.00 117.46 112.24 1xdx n PHE 62 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1xdx n PHE 62 Cb 0.00 0.04 -0.02 0.00 -0.94 0.00 0.00 39.48 38.56 1xdx n PHE 62 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1xdx s LYS 63 N -0.09 3.99 -0.04 -1.08 1.02 -1.05 -4.94 119.74 117.55 1xdx s LYS 63 Ca 0.00 0.92 0.05 0.00 0.02 0.00 0.00 55.97 56.97 1xdx s LYS 63 Cb 0.00 -3.77 -0.02 0.00 -0.52 0.00 0.00 37.83 33.52 1xdx s LYS 63 CO 0.00 -0.96 -0.19 0.71 -0.92 0.00 0.00 175.35 174.00 1xdx s TYR 64 N 3.69 2.56 -0.09 3.18 2.02 -1.26 -0.35 117.35 127.10 1xdx s TYR 64 Ca 0.44 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.85 1xdx s TYR 64 Cb -0.12 -1.58 -0.03 0.00 -0.40 0.00 0.00 41.96 39.83 1xdx s TYR 64 CO 0.18 0.09 -0.06 0.08 -1.57 0.00 0.00 175.55 174.27 1xdx s VAL 65 N -0.66 3.76 -0.16 0.71 1.01 0.37 -4.94 120.40 120.50 1xdx s VAL 65 Ca 0.10 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1xdx s VAL 65 Cb -0.11 -2.57 0.05 0.00 0.00 0.00 0.00 36.38 33.75 1xdx s VAL 65 CO 0.00 0.57 0.01 -0.69 0.00 0.00 0.00 175.10 174.99 1xdx s VAL 66 N -0.46 0.59 0.01 2.92 1.01 -1.26 -0.44 120.40 122.75 1xdx s VAL 66 Ca 0.07 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1xdx s VAL 66 Cb -0.12 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 1xdx s VAL 66 CO 0.02 -0.05 -0.07 0.28 0.00 0.00 0.00 175.10 175.28 1xdx s THR 67 N 1.85 0.51 0.11 3.92 -1.32 -0.60 -4.93 115.64 115.18 1xdx s THR 67 Ca 0.01 -0.45 0.05 0.00 -1.21 0.00 0.00 61.69 60.08 1xdx s THR 67 Cb -0.16 -0.47 -0.04 0.00 -1.51 0.00 0.00 72.50 70.33 1xdx s THR 67 CO -0.07 0.03 -0.12 0.00 -2.21 0.00 0.00 174.62 172.24 1xdx s ILE 69 N -2.28 0.14 0.26 0.00 1.09 -0.21 -5.00 121.20 115.20 1xdx s ILE 69 Ca 0.07 0.25 -0.30 0.00 -1.10 0.00 0.00 60.65 59.57 1xdx s ILE 69 Cb -0.04 -0.34 -0.09 0.00 -1.06 0.00 0.00 42.46 40.93 1xdx s ILE 69 CO 0.02 0.21 0.98 0.27 -0.10 0.00 0.00 174.94 176.32 1xdx s ILE 70 N 1.94 3.92 -0.47 2.92 -5.25 -1.26 -1.57 121.20 121.42 1xdx s ILE 70 Ca 0.03 1.92 0.03 0.00 -0.99 0.00 0.00 60.65 61.64 1xdx s ILE 70 Cb -0.12 -4.21 0.13 0.00 2.95 0.00 0.00 42.46 41.20 1xdx s ILE 70 CO -0.04 0.44 0.22 -0.32 -1.79 0.00 0.00 174.94 173.46 1xdx s MET 71 N -1.30 1.68 -0.14 0.37 1.75 0.15 -4.96 119.30 116.86 1xdx s MET 71 Ca 0.42 -2.31 -0.29 0.00 -1.25 0.00 0.00 55.69 52.26 1xdx s MET 71 Cb -0.27 -2.98 -0.03 0.00 2.84 0.00 0.00 34.83 34.38 1xdx s MET 71 CO 0.34 -1.10 1.53 -1.14 -0.65 0.00 0.00 175.02 174.00 1xdx s GLN 72 N 0.09 4.07 3.22 4.11 0.74 -1.26 -1.56 119.66 129.06 1xdx s GLN 72 Ca 0.16 1.86 0.00 0.00 0.05 0.00 0.00 55.36 57.43 1xdx s GLN 72 Cb -0.25 -3.94 0.00 0.00 1.10 0.00 0.00 33.01 29.92 1xdx s GLN 72 CO -0.02 -0.96 0.00 1.17 -0.55 0.00 0.00 175.29 174.94 1xdx n LYS 73 N 7.16 0.00 0.00 1.67 4.81 -1.26 -4.89 118.16 125.66 1xdx n LYS 73 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1xdx n LYS 73 Cb 0.44 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.49 1xdx n LYS 73 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1xdx n ASN 74 N -2.86 0.00 0.00 3.14 0.23 -1.26 -4.51 115.26 110.00 1xdx n ASN 74 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1xdx n ASN 74 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1xdx n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xdx n GLY 75 N 2.76 0.34 3.76 4.83 0.00 -1.26 -4.42 105.19 111.21 1xdx n GLY 75 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.78 3.39 0.58 4.61 0.00 -1.26 -5.03 121.76 123.27 1xdx s ALA 76 Ca 0.00 0.97 -0.10 0.00 0.00 0.00 0.00 51.96 52.83 1xdx s ALA 76 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1xdx s ALA 76 CO 0.00 -0.29 0.98 0.20 0.00 0.00 0.00 175.76 176.64 1xdx s GLY 77 N -0.85 1.66 -0.03 0.00 0.00 -1.26 -5.09 107.32 101.75 1xdx s GLY 77 Ca 0.47 -0.16 0.01 0.00 0.00 0.00 0.00 44.72 45.05 1xdx s GLY 77 CO 0.43 0.09 -0.05 -2.27 0.00 0.00 0.00 173.10 171.30 1xdx s LEU 78 N -5.01 1.61 0.02 0.66 0.20 -1.26 -5.15 118.68 109.74 1xdx s LEU 78 Ca 0.54 -0.12 0.01 0.00 0.69 0.00 0.00 54.13 55.24 1xdx s LEU 78 Cb -0.11 -0.40 -0.02 0.00 -0.43 0.00 0.00 46.19 45.24 1xdx s LEU 78 CO 0.51 0.00 -0.04 -1.00 -0.29 0.00 0.00 176.35 175.53 1xdx s HIS 79 N 0.47 0.36 0.17 5.38 3.76 -1.26 -5.16 115.29 119.01 1xdx s HIS 79 Ca -0.06 -0.36 0.11 0.00 -0.15 0.00 0.00 55.06 54.60 1xdx s HIS 79 Cb -0.10 -0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.32 1xdx s HIS 79 CO 0.00 -0.10 -0.23 0.99 -0.85 0.00 0.00 174.74 174.55 1xdx s THR 80 N -0.97 2.20 0.02 1.30 2.01 -1.26 -5.15 115.64 113.80 1xdx s THR 80 Ca -0.09 -1.93 0.02 0.00 0.31 0.00 0.00 61.69 60.00 1xdx s THR 80 Cb -0.07 -2.01 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1xdx s THR 80 CO -0.00 -0.11 -0.06 0.00 -0.69 0.00 0.00 174.62 173.76 1xdx s ALA 81 N -1.59 0.44 -0.19 7.40 0.00 -1.26 -5.16 121.76 121.40 1xdx s ALA 81 Ca 0.18 -0.56 -0.25 0.00 0.00 0.00 0.00 51.96 51.33 1xdx s ALA 81 Cb -0.08 0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.12 1xdx s ALA 81 CO 0.08 -0.01 0.66 0.00 0.00 0.00 0.00 175.76 176.50 1xdx s ALA 82 N -0.99 -1.66 -0.11 0.00 0.00 -1.26 -5.14 121.76 112.59 1xdx s ALA 82 Ca -0.07 1.69 -0.04 0.00 0.00 0.00 0.00 51.96 53.54 1xdx s ALA 82 Cb -0.07 -0.76 0.06 0.00 0.00 0.00 0.00 23.12 22.34 1xdx s ALA 82 CO 0.00 -0.33 0.18 0.45 0.00 0.00 0.00 175.76 176.06 1xdx s SER 83 N -0.12 0.88 0.20 0.00 0.15 -1.26 -5.16 113.70 108.39 1xdx s SER 83 Ca -0.03 0.23 0.08 0.00 0.70 0.00 0.00 55.95 56.93 1xdx s SER 83 Cb -0.03 0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 64.56 1xdx s SER 83 CO 0.03 -0.26 -0.04 0.00 1.20 0.00 0.00 173.24 174.17 1xdx h TRP 85 N 2.60 -0.01 -3.24 0.00 7.01 -2.06 -3.48 115.95 116.77 1xdx h TRP 85 Ca -0.46 -0.00 -0.37 0.00 2.11 0.00 0.00 58.89 60.17 1xdx h TRP 85 Cb 1.21 0.00 -0.14 0.00 -2.10 0.00 0.00 29.16 28.13 1xdx h TRP 85 CO 0.65 -0.01 -0.70 -1.58 -2.79 0.00 0.00 178.44 174.01 1xdx s TRP 86 N -1.47 1.45 -0.32 2.65 0.52 -1.26 -5.08 118.94 115.43 1xdx s TRP 86 Ca -0.00 -0.76 0.03 0.00 0.02 0.00 0.00 56.10 55.39 1xdx s TRP 86 Cb 0.00 -0.76 0.32 0.00 -1.15 0.00 0.00 33.47 31.88 1xdx s TRP 86 CO 0.01 0.11 1.40 -3.47 0.02 0.00 0.00 176.95 175.02 1xdx n ASP 87 N -0.30 -1.16 0.05 2.95 2.03 -1.26 -5.02 116.55 113.83 1xdx n ASP 87 Ca -0.08 -1.74 -0.11 0.00 0.52 0.00 0.00 54.79 53.37 1xdx n ASP 87 Cb 0.61 1.05 -0.13 0.00 -0.72 0.00 0.00 41.12 41.93 1xdx n ASP 87 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1xdx h SER 88 N 2.24 0.15 0.00 1.67 0.87 -1.98 -3.38 113.55 113.12 1xdx h SER 88 Ca -0.32 -0.19 -0.27 0.00 -1.23 0.00 0.00 61.79 59.78 1xdx h SER 88 Cb 1.22 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 63.09 1xdx h SER 88 CO -0.04 1.16 -1.90 1.07 -0.53 0.00 0.00 176.83 176.59 1xdx n THR 89 N -3.34 0.88 -2.08 2.23 5.66 -1.26 -4.73 114.28 111.65 1xdx n THR 89 Ca -0.09 -0.24 -0.41 0.00 -3.05 0.00 0.00 64.05 60.27 1xdx n THR 89 Cb 1.00 -1.63 -0.00 0.00 -1.55 0.00 0.00 70.33 68.14 1xdx n THR 89 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1xdx n THR 90 N -3.62 5.01 -4.21 1.09 -2.24 -1.26 -1.16 114.28 107.89 1xdx n THR 90 Ca -0.31 -4.33 -0.17 0.00 -2.27 0.00 0.00 64.05 56.96 1xdx n THR 90 Cb 0.73 -2.15 -0.15 0.00 -2.10 0.00 0.00 70.33 66.66 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 0.49 0.77 0.00 3.42 -1.08 -1.26 -4.81 116.67 114.20 1xdx s ASP 91 Ca 0.50 -0.12 0.00 0.00 -0.52 0.00 0.00 52.55 52.42 1xdx s ASP 91 Cb 0.16 -0.15 0.00 0.00 -1.46 0.00 0.00 42.92 41.47 1xdx s ASP 91 CO -0.07 0.05 0.00 0.61 0.52 0.00 0.00 175.17 176.29 1xdx n GLY 92 N 3.14 -2.12 2.07 2.66 0.00 -1.26 -4.65 105.19 105.03 1xdx n GLY 92 Ca -0.15 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1xdx n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xdx n SER 93 N -1.30 -7.23 -3.36 1.61 3.41 -1.25 -4.88 113.62 100.63 1xdx n SER 93 Ca 0.00 1.43 -0.13 0.00 -0.26 0.00 0.00 58.87 59.91 1xdx n SER 93 Cb 0.00 -4.40 -0.08 0.00 -0.26 0.00 0.00 64.21 59.47 1xdx n SER 93 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xdx s ARG 94 N -0.43 0.36 0.21 4.33 3.00 0.13 -4.94 118.95 121.61 1xdx s ARG 94 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 55.73 55.71 1xdx s ARG 94 Cb 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 34.95 34.36 1xdx s ARG 94 CO 0.00 -0.96 0.51 -0.08 0.00 0.00 0.00 175.30 174.77 1xdx s THR 95 N 2.46 4.98 0.03 0.02 -1.32 -1.26 -0.13 115.64 120.41 1xdx s THR 95 Ca 0.10 0.39 0.03 0.00 -1.21 0.00 0.00 61.69 61.00 1xdx s THR 95 Cb -0.14 -3.62 -0.02 0.00 -1.51 0.00 0.00 72.50 67.22 1xdx s THR 95 CO -0.29 -0.04 -0.10 -0.69 -2.21 0.00 0.00 174.62 171.30 1xdx s VAL 96 N -1.77 0.74 -0.26 5.08 1.01 0.17 -2.68 120.40 122.68 1xdx s VAL 96 Ca 0.46 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1xdx s VAL 96 Cb -0.11 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.60 1xdx s VAL 96 CO 0.22 -0.10 -0.07 -0.13 0.00 0.00 0.00 175.10 175.02 1xdx s ARG 97 N -1.04 2.56 -0.07 2.72 1.81 -1.26 -0.42 118.95 123.25 1xdx s ARG 97 Ca -0.02 -1.16 -0.10 0.00 -1.72 0.00 0.00 55.73 52.73 1xdx s ARG 97 Cb -0.07 -2.99 -0.05 0.00 -0.45 0.00 0.00 34.95 31.39 1xdx s ARG 97 CO 0.01 -0.50 0.24 -1.58 -0.68 0.00 0.00 175.30 172.79 1xdx s TRP 98 N 1.24 3.64 0.04 -0.53 0.23 0.78 -4.48 118.94 119.86 1xdx s TRP 98 Ca -0.04 0.69 -0.10 0.00 -2.03 0.00 0.00 56.10 54.63 1xdx s TRP 98 Cb -0.18 -2.06 0.01 0.00 0.03 0.00 0.00 33.47 31.26 1xdx s TRP 98 CO -0.04 0.70 0.21 -1.21 0.96 0.00 0.00 176.95 177.57 1xdx s GLU 99 N -1.12 0.73 0.12 4.98 2.02 -1.25 -1.33 118.70 122.85 1xdx s GLU 99 Ca 0.19 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.54 1xdx s GLU 99 Cb -0.14 0.30 0.00 0.00 0.10 0.00 0.00 34.13 34.40 1xdx s GLU 99 CO 0.08 -0.22 0.00 0.27 0.02 0.00 0.00 175.26 175.42 1xdx n ASN 100 N 0.60 0.56 0.00 -0.19 0.23 -1.23 -1.03 115.26 114.20 1xdx n ASN 100 Ca -0.18 0.18 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1xdx n ASN 100 Cb 0.59 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 1xdx n ASN 100 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1xdx n LYS 101 N -3.34 0.00 0.00 -3.83 -0.00 -1.26 -0.41 118.16 109.32 1xdx n LYS 101 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1xdx n LYS 101 Cb 0.09 -0.06 0.00 0.00 -0.00 0.00 0.00 35.03 35.05 1xdx n LYS 101 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1xdx n SER 102 N -2.02 0.33 -4.74 -5.58 2.88 -1.26 -5.01 113.62 98.22 1xdx n SER 102 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1xdx n SER 102 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1xdx n SER 102 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1xdx s MET 103 N -1.85 4.53 -0.05 -1.46 1.75 -1.26 -4.11 119.30 116.85 1xdx s MET 103 Ca 0.00 1.81 0.03 0.00 -1.25 0.00 0.00 55.69 56.29 1xdx s MET 103 Cb 0.00 -3.25 0.00 0.00 2.84 0.00 0.00 34.83 34.42 1xdx s MET 103 CO 0.00 -0.01 -0.15 0.71 -0.65 0.00 0.00 175.02 174.92 1xdx s TYR 104 N -0.18 1.59 -0.04 4.11 2.02 -0.60 -3.56 117.35 120.68 1xdx s TYR 104 Ca 0.51 -0.51 0.03 0.00 -0.37 0.00 0.00 57.07 56.74 1xdx s TYR 104 Cb -0.31 -1.10 0.00 0.00 -0.40 0.00 0.00 41.96 40.14 1xdx s TYR 104 CO 0.36 -0.21 -0.14 0.00 -1.57 0.00 0.00 175.55 174.00 1xdx s ILE 106 N 0.13 3.78 -0.05 0.00 2.07 -0.61 -0.16 121.20 126.37 1xdx s ILE 106 Ca -0.04 -0.49 -0.01 0.00 -1.41 0.00 0.00 60.65 58.70 1xdx s ILE 106 Cb -0.11 -2.57 0.03 0.00 0.13 0.00 0.00 42.46 39.95 1xdx s ILE 106 CO 0.02 0.57 0.03 0.00 -1.91 0.00 0.00 174.94 173.65 1xdx s THR 108 N 1.97 2.72 -0.08 0.00 -1.32 0.47 0.42 115.64 119.82 1xdx s THR 108 Ca 0.03 -1.33 0.02 0.00 -1.21 0.00 0.00 61.69 59.21 1xdx s THR 108 Cb -0.12 -2.18 0.01 0.00 -1.51 0.00 0.00 72.50 68.70 1xdx s THR 108 CO -0.04 0.26 -0.14 -0.69 -2.21 0.00 0.00 174.62 171.80 1xdx s VAL 109 N -0.99 1.30 -0.39 5.08 1.01 0.81 -1.56 120.40 125.66 1xdx s VAL 109 Ca 0.15 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 1xdx s VAL 109 Cb -0.10 -1.18 0.09 0.00 0.00 0.00 0.00 36.38 35.19 1xdx s VAL 109 CO 0.06 0.39 0.19 -0.36 0.00 0.00 0.00 175.10 175.39 1xdx s PHE 110 N 0.73 3.47 -0.94 5.22 0.40 0.41 0.20 117.98 127.47 1xdx s PHE 110 Ca -0.13 -2.09 -0.23 0.00 -0.60 0.00 0.00 56.93 53.88 1xdx s PHE 110 Cb -0.16 -2.98 0.06 0.00 0.51 0.00 0.00 43.02 40.45 1xdx s PHE 110 CO 0.03 -0.92 1.35 0.20 0.70 0.00 0.00 175.22 176.58 1xdx s GLY 111 N 1.83 1.30 -0.02 4.36 0.00 -1.26 -0.47 107.32 113.05 1xdx s GLY 111 Ca 0.05 -2.17 -0.18 0.00 0.00 0.00 0.00 44.72 42.42 1xdx s GLY 111 CO -0.02 2.55 0.49 1.08 0.00 0.00 0.00 173.10 177.20 1xdx s LEU 112 N 4.72 4.42 -1.28 0.66 1.02 0.53 -4.12 118.68 124.63 1xdx s LEU 112 Ca 0.41 1.01 -0.13 0.00 0.02 0.00 0.00 54.13 55.44 1xdx s LEU 112 Cb -0.03 -2.74 0.13 0.00 0.02 0.00 0.00 46.19 43.58 1xdx s LEU 112 CO -0.05 0.18 1.71 0.00 0.02 0.00 0.00 176.35 178.21 1xdx n ALA 113 N 2.51 4.41 -0.59 4.21 0.00 -0.31 -2.54 120.51 128.21 1xdx n ALA 113 Ca -0.10 -4.14 0.00 0.00 0.00 0.00 0.00 53.44 49.20 1xdx n ALA 113 Cb 0.52 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.76 1xdx n ALA 113 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61