#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 0.00 0.00 0.03 2.13 -1.26 -2.91 120.64 118.63 1xdx n GLU 2 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xdx n GLU 2 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 0.00 0.00 3.54 8.31 0.00 -1.26 -5.12 105.19 110.66 1xdx n GLY 3 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.57 -0.27 1.61 1.01 -1.15 -4.19 120.40 121.99 1xdx s VAL 4 Ca 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 61.98 62.42 1xdx s VAL 4 Cb 0.00 -4.38 0.09 0.00 0.00 0.00 0.00 36.38 32.10 1xdx s VAL 4 CO 0.00 -0.80 0.13 -0.62 0.00 0.00 0.00 175.10 173.81 1xdx s ASP 5 N 2.26 3.36 -0.14 3.32 2.15 0.11 -4.94 116.67 122.79 1xdx s ASP 5 Ca 0.32 -1.19 -0.29 0.00 0.43 0.00 0.00 52.55 51.82 1xdx s ASP 5 Cb -0.12 -0.33 -0.05 0.00 -0.30 0.00 0.00 42.92 42.12 1xdx s ASP 5 CO 0.23 -0.43 1.82 -2.84 -0.17 0.00 0.00 175.17 173.78 1xdx s PRO 6 N 2.11 3.81 -0.31 4.34 0.02 -1.23 -3.97 135.00 139.76 1xdx s PRO 6 Ca 0.08 2.03 -0.01 0.00 0.02 0.00 0.00 61.00 63.12 1xdx s PRO 6 Cb -0.16 -4.12 0.00 0.00 0.02 0.00 0.00 34.50 30.24 1xdx s PRO 6 CO -0.33 -1.30 0.04 0.00 -0.33 0.00 0.00 177.00 175.08 1xdx n ALA 7 N 8.65 -3.45 -0.03 -1.55 0.00 -0.21 -4.94 120.51 118.98 1xdx n ALA 7 Ca 0.21 0.53 -0.04 0.00 0.00 0.00 0.00 53.44 54.14 1xdx n ALA 7 Cb 0.44 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 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 0.61 0.81 -2.12 0.00 0.31 -1.25 -4.76 118.33 111.92 1xdx n VAL 8 Ca 0.01 0.28 -0.41 0.00 -0.01 0.00 0.00 64.34 64.20 1xdx n VAL 8 Cb 0.03 -1.78 -0.00 0.00 -0.91 0.00 0.00 33.84 31.18 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 -3.45 4.24 -1.66 5.55 1.02 -1.26 -4.98 120.64 120.09 1xdx n GLU 9 Ca -0.06 -3.48 -0.43 0.00 -0.02 0.00 0.00 57.16 53.17 1xdx n GLU 9 Cb 0.20 -2.74 -0.03 0.00 -0.02 0.00 0.00 31.44 28.86 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 2.51 2.79 -4.20 3.49 0.00 -1.26 -4.04 120.64 119.93 1xdx n GLU 10 Ca 0.54 1.02 -0.33 0.00 0.00 0.00 0.00 57.16 58.40 1xdx n GLU 10 Cb 0.29 -2.97 -0.08 0.00 0.00 0.00 0.00 31.44 28.68 1xdx n GLU 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xdx s ALA 11 N 4.42 3.40 0.09 4.31 0.00 -1.26 -4.88 121.76 127.83 1xdx s ALA 11 Ca 0.89 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1xdx s ALA 11 Cb -0.47 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.23 1xdx s ALA 11 CO 0.43 0.67 0.00 0.00 0.00 0.00 0.00 175.76 176.86 1xdx n ALA 12 N 1.25 -1.96 -1.61 0.00 0.00 -1.11 -3.81 120.51 113.29 1xdx n ALA 12 Ca -0.14 0.48 -0.07 0.00 0.00 0.00 0.00 53.44 53.71 1xdx n ALA 12 Cb 0.53 -1.46 0.16 0.00 0.00 0.00 0.00 19.45 18.68 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 1.91 1.20 -4.12 0.00 -0.00 -1.26 -4.85 117.46 110.34 1xdx n PHE 13 Ca 0.00 -1.78 -0.35 0.00 -0.00 0.00 0.00 57.45 55.32 1xdx n PHE 13 Cb 0.00 -0.44 -0.07 0.00 -0.00 0.00 0.00 39.48 38.96 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 -3.60 4.85 -0.44 -2.13 1.01 -1.26 -4.72 120.40 114.10 1xdx s VAL 14 Ca 0.45 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 1xdx s VAL 14 Cb 0.40 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.66 1xdx s VAL 14 CO -0.02 0.51 0.52 0.00 0.00 0.00 0.00 175.10 176.12 1xdx n ALA 15 N 1.71 -2.77 0.24 5.51 0.00 -1.26 -4.64 120.51 119.30 1xdx n ALA 15 Ca -0.17 0.63 0.10 0.00 0.00 0.00 0.00 53.44 54.00 1xdx n ALA 15 Cb 0.54 -2.45 0.67 0.00 0.00 0.00 0.00 19.45 18.20 1xdx n ALA 15 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1xdx h ASP 16 N 1.19 0.00 -0.21 0.00 3.04 -1.98 -0.62 116.42 117.84 1xdx h ASP 16 Ca 0.00 0.00 0.04 0.00 -3.24 0.00 0.00 57.03 53.83 1xdx h ASP 16 Cb 0.89 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.14 1xdx h ASP 16 CO 0.19 0.00 -0.04 -0.78 -2.04 0.00 0.00 179.24 176.57 1xdx h ASP 17 N 0.00 -0.17 0.86 4.15 3.58 -2.00 -1.09 116.42 121.75 1xdx h ASP 17 Ca 0.02 0.06 -0.23 0.00 0.42 0.00 0.00 57.03 57.30 1xdx h ASP 17 Cb 0.09 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 1xdx h ASP 17 CO -0.00 -0.06 -1.13 0.58 -2.88 0.00 0.00 179.24 175.75 1xdx h VAL 18 N 0.01 1.58 -0.94 2.25 2.07 -1.80 -3.26 116.25 116.16 1xdx h VAL 18 Ca 0.10 -3.27 0.02 0.00 0.82 0.00 0.00 66.70 64.37 1xdx h VAL 18 Cb 0.15 2.83 -0.05 0.00 -1.52 0.00 0.00 31.29 32.69 1xdx h VAL 18 CO -0.20 0.91 0.61 0.77 0.02 0.00 0.00 177.57 179.68 1xdx h SER 19 N 0.02 1.04 -0.27 0.57 4.64 -0.80 -2.39 113.55 116.36 1xdx h SER 19 Ca -0.07 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.11 1xdx h SER 19 Cb 1.84 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 63.68 1xdx h SER 19 CO 0.14 0.73 -0.33 -0.55 -0.87 0.00 0.00 176.83 175.95 1xdx h ASN 20 N 1.21 0.75 0.07 4.97 7.08 -1.30 -2.87 115.58 125.50 1xdx h ASN 20 Ca 0.36 -0.49 0.02 0.00 -3.08 0.00 0.00 56.30 53.11 1xdx h ASN 20 Cb -0.06 -0.21 -0.03 0.00 -2.08 0.00 0.00 38.32 35.94 1xdx h ASN 20 CO -0.10 1.10 -0.23 0.40 -2.08 0.00 0.00 177.43 176.52 1xdx h ILE 21 N 0.43 0.48 -0.09 6.14 2.04 -1.53 0.29 117.51 125.27 1xdx h ILE 21 Ca 0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1xdx h ILE 21 Cb 0.91 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1xdx h ILE 21 CO 0.08 0.00 0.03 -0.29 0.00 0.00 0.00 178.15 177.97 1xdx h ILE 22 N -0.40 0.98 0.29 -0.67 6.09 -1.51 -0.64 117.51 121.65 1xdx h ILE 22 Ca 0.04 -0.02 -0.01 0.00 -1.37 0.00 0.00 64.86 63.49 1xdx h ILE 22 Cb 0.44 0.90 0.00 0.00 0.47 0.00 0.00 36.82 38.64 1xdx h ILE 22 CO -0.16 0.01 -0.14 0.11 -3.07 0.00 0.00 178.15 174.91 1xdx h LYS 23 N 0.07 -0.37 -0.94 2.19 1.57 -1.32 0.55 116.57 118.32 1xdx h LYS 23 Ca 0.04 0.03 0.22 0.00 -1.87 0.00 0.00 60.65 59.06 1xdx h LYS 23 Cb 0.02 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.34 1xdx h LYS 23 CO -0.04 -0.15 0.62 0.93 -0.57 0.00 0.00 179.45 180.24 1xdx h GLU 24 N -0.54 0.41 -0.07 3.15 3.07 -0.38 0.33 114.58 120.55 1xdx h GLU 24 Ca -0.04 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.75 1xdx h GLU 24 Cb 0.40 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1xdx h GLU 24 CO 0.06 0.27 -0.12 0.77 -1.40 0.00 0.00 179.01 178.59 1xdx h SER 25 N 0.42 0.23 -0.53 1.42 0.02 -0.63 -2.86 113.55 111.62 1xdx h SER 25 Ca 0.50 -0.54 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1xdx h SER 25 Cb 1.23 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 1xdx h SER 25 CO -0.20 0.73 0.33 0.40 -1.14 0.00 0.00 176.83 176.94 1xdx h ILE 26 N -0.25 1.08 -1.00 3.27 5.03 0.12 1.48 117.51 127.24 1xdx h ILE 26 Ca 0.01 -0.23 0.22 0.00 -0.12 0.00 0.00 64.86 64.74 1xdx h ILE 26 Cb 0.68 0.37 -0.10 0.00 -3.03 0.00 0.00 36.82 34.73 1xdx h ILE 26 CO 0.03 0.12 0.62 -0.78 -0.68 0.00 0.00 178.15 177.46 1xdx h ASP 27 N 0.66 0.62 0.10 1.72 3.58 -0.45 0.74 116.42 123.39 1xdx h ASP 27 Ca 0.21 0.09 -0.32 0.00 0.42 0.00 0.00 57.03 57.43 1xdx h ASP 27 Cb -0.01 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 1xdx h ASP 27 CO -0.08 0.18 -1.73 0.00 -2.88 0.00 0.00 179.24 174.73 1xdx h ALA 28 N 1.65 0.34 0.00 -0.78 0.00 -0.95 -1.57 119.26 117.94 1xdx h ALA 28 Ca 0.58 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1xdx h ALA 28 Cb 1.17 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1xdx h ALA 28 CO -0.35 1.08 0.00 0.28 0.00 0.00 0.00 179.25 180.27 1xdx n VAL 29 N -3.77 0.65 0.00 0.00 0.31 0.49 -1.08 118.33 114.94 1xdx n VAL 29 Ca -0.30 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1xdx n VAL 29 Cb 0.95 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 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 -1.40 0.08 0.11 7.52 7.99 0.25 -4.71 117.00 126.84 1xdx n LEU 30 Ca 0.06 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.18 1xdx n LEU 30 Cb 0.17 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.56 1xdx n LEU 30 CO 0.15 0.01 0.22 -0.61 -1.51 0.00 0.00 177.39 175.65 1xdx h GLN 31 N 0.00 0.00 -0.56 3.23 4.15 -1.27 -3.37 115.11 117.29 1xdx h GLN 31 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.53 1xdx h GLN 31 Cb 1.00 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.60 1xdx h GLN 31 CO 0.00 0.00 0.07 -2.95 -1.93 0.00 0.00 178.83 174.02 1xdx h ASN 32 N 0.00 -0.09 -3.49 -0.69 7.08 -1.29 -3.44 115.58 113.66 1xdx h ASN 32 Ca 0.00 0.12 -0.18 0.00 -3.08 0.00 0.00 56.30 53.16 1xdx h ASN 32 Cb 0.92 0.18 -0.03 0.00 -2.08 0.00 0.00 38.32 37.31 1xdx h ASN 32 CO 0.00 -0.03 -0.13 1.67 -2.08 0.00 0.00 177.43 176.86 1xdx n GLN 33 N -5.17 1.54 -2.51 4.14 -0.06 -1.26 -5.14 117.38 108.92 1xdx n GLN 33 Ca 0.07 -1.00 -0.23 0.00 -2.00 0.00 0.00 57.00 53.85 1xdx n GLN 33 Cb 0.30 0.30 0.07 0.00 -4.06 0.00 0.00 30.24 26.86 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 -2.49 2.10 -0.26 3.69 0.74 -1.26 -4.96 119.66 117.23 1xdx s GLN 34 Ca 0.01 -0.79 -0.28 0.00 0.05 0.00 0.00 55.36 54.35 1xdx s GLN 34 Cb 0.00 -2.35 -0.04 0.00 1.10 0.00 0.00 33.01 31.72 1xdx s GLN 34 CO 0.01 -1.14 2.10 -0.47 -0.55 0.00 0.00 175.29 175.24 1xdx s TYR 35 N -3.03 1.36 -0.11 1.67 5.04 -1.26 -4.96 117.35 116.06 1xdx s TYR 35 Ca 0.62 0.58 0.00 0.00 -2.44 0.00 0.00 57.07 55.83 1xdx s TYR 35 Cb -0.08 -3.98 0.02 0.00 0.35 0.00 0.00 41.96 38.27 1xdx s TYR 35 CO 0.42 -3.72 -0.10 -1.12 -1.34 0.00 0.00 175.55 169.69 1xdx s SER 36 N 7.70 2.18 0.50 4.32 0.01 -1.26 -5.00 113.70 122.14 1xdx s SER 36 Ca 0.94 -0.33 0.18 0.00 1.31 0.00 0.00 55.95 58.06 1xdx s SER 36 Cb -0.30 -0.89 1.23 0.00 0.21 0.00 0.00 66.02 66.27 1xdx s SER 36 CO 0.34 -0.08 2.05 -0.08 0.41 0.00 0.00 173.24 175.88 1xdx h GLU 37 N 7.90 0.13 0.00 12.44 4.57 -1.99 0.99 114.58 138.62 1xdx h GLU 37 Ca -0.31 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1xdx h GLU 37 Cb 1.14 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1xdx h GLU 37 CO 0.44 0.09 0.00 0.00 -1.18 0.00 0.00 179.01 178.36 1xdx n ALA 38 N -2.57 2.22 0.05 2.92 0.00 -1.26 -2.98 120.51 118.89 1xdx n ALA 38 Ca 0.05 -0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.39 1xdx n ALA 38 Cb 0.35 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 1xdx n ALA 38 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xdx n LYS 39 N -1.32 3.89 -0.24 0.00 4.01 0.28 -4.38 118.16 120.40 1xdx n LYS 39 Ca 0.11 -0.01 0.27 0.00 -0.51 0.00 0.00 58.31 58.17 1xdx n LYS 39 Cb 0.21 -0.77 0.65 0.00 -0.51 0.00 0.00 35.03 34.61 1xdx n LYS 39 CO 0.00 0.00 0.00 -0.39 -1.11 0.00 0.00 177.40 175.90 1xdx h VAL 40 N 0.00 0.54 0.00 -0.18 -1.51 0.38 1.40 116.25 116.88 1xdx h VAL 40 Ca 0.00 -0.05 -0.25 0.00 -1.23 0.00 0.00 66.70 65.17 1xdx h VAL 40 Cb 0.06 0.39 -0.05 0.00 -2.13 0.00 0.00 31.29 29.56 1xdx h VAL 40 CO 0.00 0.03 -1.95 -0.24 -1.23 0.00 0.00 177.57 174.17 1xdx n SER 41 N -4.36 1.75 0.10 4.19 2.88 -1.26 -4.41 113.62 112.51 1xdx n SER 41 Ca 0.21 -0.01 -0.01 0.00 -1.33 0.00 0.00 58.87 57.72 1xdx n SER 41 Cb 0.95 0.67 0.24 0.00 -0.75 0.00 0.00 64.21 65.33 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 0.21 -0.10 -1.46 1.08 -1.59 -2.98 115.11 110.27 1xdx h GLN 42 Ca -0.38 -0.10 0.01 0.00 -1.45 0.00 0.00 58.65 56.74 1xdx h GLN 42 Cb 1.81 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.21 1xdx h GLN 42 CO 0.01 0.59 -0.20 -1.49 -0.95 0.00 0.00 178.83 176.78 1xdx h TRP 43 N 0.18 -0.61 -0.08 2.96 6.55 0.17 0.66 115.95 125.77 1xdx h TRP 43 Ca 0.02 0.03 0.02 0.00 0.95 0.00 0.00 58.89 59.91 1xdx h TRP 43 Cb 0.80 0.28 -0.00 0.00 -0.86 0.00 0.00 29.16 29.37 1xdx h TRP 43 CO 0.01 -0.19 0.17 0.00 -1.05 0.00 0.00 178.44 177.38 1xdx h THR 44 N -0.18 0.24 -0.20 1.49 1.03 -1.77 -0.26 112.91 113.26 1xdx h THR 44 Ca 0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 66.28 1xdx h THR 44 Cb 0.23 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 68.17 1xdx h THR 44 CO -0.19 0.00 -0.43 0.77 -0.01 0.00 0.00 175.52 175.66 1xdx h SER 45 N 0.00 0.72 -0.18 0.00 4.64 -0.78 0.49 113.55 118.44 1xdx h SER 45 Ca 0.04 -0.55 -0.08 0.00 -0.47 0.00 0.00 61.79 60.73 1xdx h SER 45 Cb 0.37 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1xdx h SER 45 CO -0.00 1.14 -0.13 -1.28 -0.87 0.00 0.00 176.83 175.69 1xdx h SER 46 N 0.33 0.56 -0.22 4.97 0.87 0.45 -1.66 113.55 118.84 1xdx h SER 46 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1xdx h SER 46 Cb 1.03 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 1xdx h SER 46 CO 0.09 0.72 0.14 0.00 -0.53 0.00 0.00 176.83 177.26 1xdx h LEU 48 N 0.29 0.72 -0.17 0.00 4.07 -0.38 1.29 115.31 121.13 1xdx h LEU 48 Ca 0.08 -0.01 -0.22 0.00 0.08 0.00 0.00 57.88 57.81 1xdx h LEU 48 Cb -0.02 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 1xdx h LEU 48 CO -0.03 0.51 -0.96 -0.08 -1.08 0.00 0.00 178.44 176.80 1xdx h GLU 49 N 0.84 0.22 -0.04 1.13 4.81 -0.49 0.81 114.58 121.86 1xdx h GLU 49 Ca 0.25 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1xdx h GLU 49 Cb -0.02 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1xdx h GLU 49 CO -0.06 1.02 0.00 0.72 -0.73 0.00 0.00 179.01 179.96 1xdx n HIS 50 N -3.62 0.04 -0.08 0.92 8.25 0.28 -1.46 115.22 119.55 1xdx n HIS 50 Ca -0.04 -0.02 -0.14 0.00 -0.26 0.00 0.00 57.72 57.25 1xdx n HIS 50 Cb 0.86 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.90 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 -0.26 1.27 -0.59 0.00 -0.00 -0.89 -1.51 117.51 115.53 1xdx h ILE 52 Ca -0.39 -0.95 0.02 0.00 -0.00 0.00 0.00 64.86 63.55 1xdx h ILE 52 Cb 1.48 1.52 -0.03 0.00 -0.00 0.00 0.00 36.82 39.79 1xdx h ILE 52 CO -0.14 0.28 0.39 0.11 -0.00 0.00 0.00 178.15 178.79 1xdx h LYS 53 N 0.08 0.71 -0.13 2.19 6.56 -1.47 -1.35 116.57 123.15 1xdx h LYS 53 Ca 0.05 -0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 1xdx h LYS 53 Cb 0.44 -0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 31.94 1xdx h LYS 53 CO 0.01 0.47 -0.10 0.00 -2.06 0.00 0.00 179.45 177.78 1xdx h ARG 54 N 0.73 0.29 -0.08 3.15 2.47 -1.68 -1.91 114.38 117.34 1xdx h ARG 54 Ca 0.23 -0.14 0.02 0.00 -1.26 0.00 0.00 59.98 58.83 1xdx h ARG 54 Cb 0.02 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1xdx h ARG 54 CO -0.06 0.66 0.06 -0.07 0.56 0.00 0.00 179.97 181.13 1xdx h LEU 55 N -0.08 0.00 -0.14 3.04 3.38 -0.71 0.01 115.31 120.80 1xdx h LEU 55 Ca 0.02 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.77 1xdx h LEU 55 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1xdx h LEU 55 CO 0.03 0.00 -0.98 0.71 0.09 0.00 0.00 178.44 178.28 1xdx h THR 56 N 0.00 1.46 -0.27 0.22 1.35 -1.09 0.28 112.91 114.86 1xdx h THR 56 Ca 0.04 -2.64 -0.10 0.00 -0.55 0.00 0.00 66.41 63.16 1xdx h THR 56 Cb 0.17 2.55 -0.01 0.00 -1.73 0.00 0.00 68.15 69.12 1xdx h THR 56 CO -0.00 0.78 -0.25 0.00 -0.25 0.00 0.00 175.52 175.79 1xdx h ALA 57 N 0.79 1.05 0.00 6.62 0.00 -0.25 -2.88 119.26 124.59 1xdx h ALA 57 Ca -0.08 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.28 1xdx h ALA 57 Cb 1.64 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1xdx h ALA 57 CO 0.16 0.57 -1.20 -0.07 0.00 0.00 0.00 179.25 178.72 1xdx h LEU 58 N 0.46 0.00 -3.03 0.00 3.38 -1.07 -3.49 115.31 111.58 1xdx h LEU 58 Ca 0.07 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.52 1xdx h LEU 58 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1xdx h LEU 58 CO 0.05 0.78 -0.95 -0.46 0.09 0.00 0.00 178.44 177.95 1xdx n ASN 59 N -3.12 -3.30 -3.15 -0.43 0.23 0.98 -4.96 115.26 101.52 1xdx n ASN 59 Ca -0.07 -1.12 0.06 0.00 -0.53 0.00 0.00 54.58 52.92 1xdx n ASN 59 Cb 0.90 -2.66 -0.02 0.00 -2.08 0.00 0.00 39.78 35.91 1xdx n ASN 59 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1xdx s LYS 60 N -6.65 0.01 0.00 -3.83 2.20 -1.25 -4.75 119.74 105.47 1xdx s LYS 60 Ca 0.33 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1xdx s LYS 60 Cb -0.15 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.18 1xdx s LYS 60 CO 0.91 -0.01 0.00 -2.30 -0.36 0.00 0.00 175.35 173.59 1xdx n PRO 61 N 5.41 0.90 -0.05 4.03 -0.02 -1.26 -4.97 135.00 139.04 1xdx n PRO 61 Ca -0.10 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.33 1xdx n PRO 61 Cb 0.55 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.01 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 -0.79 0.00 -2.79 6.00 7.35 -1.26 -4.87 117.46 121.10 1xdx n PHE 62 Ca 0.00 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.26 1xdx n PHE 62 Cb 0.00 -0.30 -0.04 0.00 0.35 0.00 0.00 39.48 39.49 1xdx n PHE 62 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1xdx s LYS 63 N -2.15 3.32 0.00 -4.13 2.20 -1.18 -4.89 119.74 112.91 1xdx s LYS 63 Ca -0.17 -0.27 0.04 0.00 -0.36 0.00 0.00 55.97 55.20 1xdx s LYS 63 Cb 0.02 -4.08 -0.01 0.00 -1.51 0.00 0.00 37.83 32.25 1xdx s LYS 63 CO 0.26 -1.59 -0.12 1.52 -0.36 0.00 0.00 175.35 175.05 1xdx s TYR 64 N 4.20 1.10 0.08 4.03 -0.85 -1.26 -0.09 117.35 124.55 1xdx s TYR 64 Ca 0.31 -0.24 0.05 0.00 -0.52 0.00 0.00 57.07 56.67 1xdx s TYR 64 Cb -0.12 -0.69 -0.04 0.00 0.38 0.00 0.00 41.96 41.48 1xdx s TYR 64 CO 0.19 -0.01 -0.03 0.08 -1.52 0.00 0.00 175.55 174.26 1xdx s VAL 65 N -0.42 3.84 -0.26 -3.49 1.01 0.15 -4.94 120.40 116.30 1xdx s VAL 65 Ca 0.04 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 1xdx s VAL 65 Cb -0.05 -2.81 0.08 0.00 0.00 0.00 0.00 36.38 33.60 1xdx s VAL 65 CO -0.00 0.16 0.06 -0.69 0.00 0.00 0.00 175.10 174.63 1xdx s VAL 66 N -1.25 0.71 0.16 2.92 1.01 -1.26 0.11 120.40 122.80 1xdx s VAL 66 Ca 0.24 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1xdx s VAL 66 Cb -0.11 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1xdx s VAL 66 CO 0.16 -0.46 -0.13 0.28 0.00 0.00 0.00 175.10 174.95 1xdx s THR 67 N 1.73 1.44 0.05 3.92 -1.32 -0.57 -4.93 115.64 115.96 1xdx s THR 67 Ca 0.04 -2.00 -0.15 0.00 -1.21 0.00 0.00 61.69 58.37 1xdx s THR 67 Cb -0.17 -1.81 0.03 0.00 -1.51 0.00 0.00 72.50 69.03 1xdx s THR 67 CO -0.18 -0.58 0.35 0.00 -2.21 0.00 0.00 174.62 172.01 1xdx s ILE 69 N -2.66 0.87 0.35 0.00 1.09 0.16 -4.97 121.20 116.03 1xdx s ILE 69 Ca -0.04 -0.20 -0.25 0.00 -1.10 0.00 0.00 60.65 59.06 1xdx s ILE 69 Cb -0.00 -0.91 -0.10 0.00 -1.06 0.00 0.00 42.46 40.39 1xdx s ILE 69 CO -0.04 0.34 0.96 0.27 -0.10 0.00 0.00 174.94 176.37 1xdx s ILE 70 N 1.68 4.18 -0.46 2.92 -4.36 -1.26 -1.32 121.20 122.57 1xdx s ILE 70 Ca 0.03 1.72 0.03 0.00 -0.26 0.00 0.00 60.65 62.17 1xdx s ILE 70 Cb -0.13 -3.91 0.13 0.00 1.25 0.00 0.00 42.46 39.80 1xdx s ILE 70 CO -0.07 0.05 0.22 -0.04 0.24 0.00 0.00 174.94 175.34 1xdx s MET 71 N -2.28 1.66 0.69 0.37 -1.94 0.15 -4.95 119.30 112.99 1xdx s MET 71 Ca 0.53 -2.28 -0.16 0.00 -1.71 0.00 0.00 55.69 52.06 1xdx s MET 71 Cb -0.17 -2.97 -0.02 0.00 2.01 0.00 0.00 34.83 33.68 1xdx s MET 71 CO 0.22 -1.10 0.87 0.94 -0.01 0.00 0.00 175.02 175.95 1xdx n GLN 72 N 3.46 0.55 -1.56 2.03 7.27 -1.26 -1.46 117.38 126.41 1xdx n GLN 72 Ca 0.05 0.24 -0.13 0.00 0.07 0.00 0.00 57.00 57.23 1xdx n GLN 72 Cb 0.34 -2.12 -0.09 0.00 2.41 0.00 0.00 30.24 30.78 1xdx n GLN 72 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1xdx n LYS 73 N -1.42 0.39 -3.25 3.69 0.00 -1.26 -4.73 118.16 111.58 1xdx n LYS 73 Ca 0.13 -1.14 0.04 0.00 0.00 0.00 0.00 58.31 57.34 1xdx n LYS 73 Cb 0.49 -3.75 -0.03 0.00 0.00 0.00 0.00 35.03 31.74 1xdx n LYS 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1xdx s ASN 74 N 9.96 -0.61 -0.71 3.14 4.22 -1.26 -5.05 114.94 124.63 1xdx s ASN 74 Ca 0.89 0.55 -0.26 0.00 -2.14 0.00 0.00 52.86 51.90 1xdx s ASN 74 Cb -0.11 1.58 -0.08 0.00 1.28 0.00 0.00 41.25 43.92 1xdx s ASN 74 CO 0.12 -0.11 2.18 -0.83 -2.04 0.00 0.00 177.10 176.42 1xdx s GLY 75 N 2.73 -0.28 -0.00 0.45 0.00 -1.26 -4.91 107.32 104.05 1xdx s GLY 75 Ca 0.01 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 43.99 1xdx s GLY 75 CO -0.15 3.86 -0.04 0.00 0.00 0.00 0.00 173.10 176.78 1xdx s ALA 76 N 11.88 0.30 -0.33 3.20 0.00 -1.26 -5.10 121.76 130.45 1xdx s ALA 76 Ca 0.83 -0.18 -0.28 0.00 0.00 0.00 0.00 51.96 52.33 1xdx s ALA 76 Cb -0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1xdx s ALA 76 CO 0.12 0.07 1.99 0.20 0.00 0.00 0.00 175.76 178.14 1xdx s GLY 77 N -0.14 0.55 -0.37 0.00 0.00 -1.26 -4.94 107.32 101.16 1xdx s GLY 77 Ca 0.01 0.34 -0.03 0.00 0.00 0.00 0.00 44.72 45.04 1xdx s GLY 77 CO -0.00 3.52 0.13 -2.27 0.00 0.00 0.00 173.10 174.48 1xdx s LEU 78 N 7.95 4.72 -0.03 0.66 2.96 -1.26 -5.08 118.68 128.60 1xdx s LEU 78 Ca 0.87 -1.70 0.07 0.00 -0.22 0.00 0.00 54.13 53.15 1xdx s LEU 78 Cb -0.25 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 1xdx s LEU 78 CO 0.32 -0.43 -0.25 -1.00 -1.32 0.00 0.00 176.35 173.68 1xdx s HIS 79 N 1.20 2.29 0.16 5.38 3.76 -1.26 -5.14 115.29 121.67 1xdx s HIS 79 Ca 0.03 -0.51 0.07 0.00 -0.15 0.00 0.00 55.06 54.50 1xdx s HIS 79 Cb -0.21 -1.48 -0.04 0.00 1.11 0.00 0.00 32.58 31.95 1xdx s HIS 79 CO -0.03 -0.09 -0.01 0.99 -0.85 0.00 0.00 174.74 174.75 1xdx s THR 80 N -0.46 3.72 -0.01 1.30 2.01 -1.26 -5.13 115.64 115.81 1xdx s THR 80 Ca 0.06 -1.35 0.04 0.00 0.31 0.00 0.00 61.69 60.74 1xdx s THR 80 Cb -0.11 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.54 1xdx s THR 80 CO 0.00 -0.06 -0.13 0.00 -0.69 0.00 0.00 174.62 173.74 1xdx s ALA 81 N -1.63 1.09 -0.29 7.40 0.00 -1.26 -5.13 121.76 121.95 1xdx s ALA 81 Ca 0.27 -0.57 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 1xdx s ALA 81 Cb -0.10 -0.28 0.13 0.00 0.00 0.00 0.00 23.12 22.88 1xdx s ALA 81 CO 0.18 0.27 0.62 0.00 0.00 0.00 0.00 175.76 176.83 1xdx s ALA 82 N -0.32 -1.96 -0.20 0.00 0.00 -1.26 -5.13 121.76 112.90 1xdx s ALA 82 Ca 0.05 2.21 0.01 0.00 0.00 0.00 0.00 51.96 54.23 1xdx s ALA 82 Cb -0.05 -1.76 0.03 0.00 0.00 0.00 0.00 23.12 21.35 1xdx s ALA 82 CO -0.00 -0.94 -0.15 0.45 0.00 0.00 0.00 175.76 175.11 1xdx s SER 83 N 2.86 3.42 0.18 0.00 0.15 -1.26 -5.12 113.70 113.93 1xdx s SER 83 Ca -0.03 -0.84 0.06 0.00 0.70 0.00 0.00 55.95 55.83 1xdx s SER 83 Cb -0.12 -1.41 -0.04 0.00 -1.71 0.00 0.00 66.02 62.74 1xdx s SER 83 CO -0.18 -0.08 0.10 0.00 1.20 0.00 0.00 173.24 174.27 1xdx n TRP 85 N -0.35 -0.14 -3.09 0.00 -0.00 -1.26 -5.00 117.44 107.59 1xdx n TRP 85 Ca -0.09 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.02 1xdx n TRP 85 Cb 0.55 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.81 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 0.00 3.76 0.00 5.87 0.52 -1.26 -5.01 118.94 122.82 1xdx s TRP 86 Ca 0.00 1.39 0.00 0.00 0.02 0.00 0.00 56.10 57.51 1xdx s TRP 86 Cb 0.00 -2.70 0.00 0.00 -1.15 0.00 0.00 33.47 29.62 1xdx s TRP 86 CO 0.00 0.39 0.00 -3.47 0.02 0.00 0.00 176.95 173.89 1xdx n ASP 87 N 2.41 0.00 0.11 2.95 2.03 -1.26 -5.04 116.55 117.75 1xdx n ASP 87 Ca -0.05 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.27 1xdx n ASP 87 Cb 0.50 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.00 0.00 -0.19 1.67 0.87 -2.02 -3.33 113.55 110.54 1xdx h SER 88 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1xdx h SER 88 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1xdx h SER 88 CO 0.00 0.56 -0.08 0.00 -0.53 0.00 0.00 176.83 176.78 1xdx h THR 89 N 0.00 1.30 0.00 2.23 1.03 -1.96 -3.31 112.91 112.20 1xdx h THR 89 Ca -0.03 -1.10 -0.63 0.00 -0.01 0.00 0.00 66.41 64.63 1xdx h THR 89 Cb 1.45 1.62 0.01 0.00 -1.07 0.00 0.00 68.15 70.17 1xdx h THR 89 CO 0.07 0.33 3.28 0.35 -0.01 0.00 0.00 175.52 179.54 1xdx n THR 90 N -4.60 3.50 -3.85 0.00 -2.24 -1.25 0.44 114.28 106.28 1xdx n THR 90 Ca -0.05 -2.43 -0.35 0.00 -2.27 0.00 0.00 64.05 58.95 1xdx n THR 90 Cb 0.30 -2.51 -0.13 0.00 -2.10 0.00 0.00 70.33 65.90 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 2.98 5.10 0.00 3.42 -1.08 -1.25 -4.77 116.67 121.07 1xdx s ASP 91 Ca 0.57 -2.00 0.00 0.00 -0.52 0.00 0.00 52.55 50.60 1xdx s ASP 91 Cb 0.15 -1.77 0.00 0.00 -1.46 0.00 0.00 42.92 39.84 1xdx s ASP 91 CO -0.05 -0.48 0.00 0.61 0.52 0.00 0.00 175.17 175.78 1xdx n GLY 92 N 4.51 0.00 1.37 2.66 0.00 -0.98 -4.37 105.19 108.38 1xdx n GLY 92 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.43 -0.25 -3.84 1.61 3.41 -1.26 -3.69 113.62 109.19 1xdx n SER 93 Ca 0.00 -0.08 -0.29 0.00 -0.26 0.00 0.00 58.87 58.24 1xdx n SER 93 Cb 0.00 -0.28 -0.16 0.00 -0.26 0.00 0.00 64.21 63.51 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 3.10 1.12 0.17 4.33 0.52 -0.41 -4.99 118.95 122.80 1xdx s ARG 94 Ca 0.52 -0.80 -0.07 0.00 -0.52 0.00 0.00 55.73 54.87 1xdx s ARG 94 Cb -0.41 -2.35 -0.06 0.00 0.52 0.00 0.00 34.95 32.65 1xdx s ARG 94 CO 0.21 -0.67 0.44 -0.08 0.02 0.00 0.00 175.30 175.22 1xdx s THR 95 N 1.59 5.07 -0.03 0.02 -1.32 -1.26 -0.54 115.64 119.18 1xdx s THR 95 Ca -0.02 0.23 0.01 0.00 -1.21 0.00 0.00 61.69 60.70 1xdx s THR 95 Cb -0.18 -3.62 0.02 0.00 -1.51 0.00 0.00 72.50 67.21 1xdx s THR 95 CO -0.09 0.02 -0.02 -0.69 -2.21 0.00 0.00 174.62 171.63 1xdx s VAL 96 N -1.70 0.29 -0.30 5.08 1.01 0.17 -2.73 120.40 122.22 1xdx s VAL 96 Ca 0.43 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.29 1xdx s VAL 96 Cb -0.12 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 1xdx s VAL 96 CO 0.23 0.16 0.18 -0.60 0.00 0.00 0.00 175.10 175.06 1xdx s ARG 97 N 0.80 3.69 0.07 2.72 6.06 -1.26 0.26 118.95 131.30 1xdx s ARG 97 Ca -0.09 -0.49 -0.05 0.00 -2.50 0.00 0.00 55.73 52.60 1xdx s ARG 97 Cb -0.12 -3.63 -0.05 0.00 0.06 0.00 0.00 34.95 31.21 1xdx s ARG 97 CO -0.01 -0.29 0.31 -1.58 -2.50 0.00 0.00 175.30 171.23 1xdx s TRP 98 N 1.71 3.53 -0.09 5.12 0.51 0.10 -4.19 118.94 125.62 1xdx s TRP 98 Ca 0.06 0.53 -0.08 0.00 -2.12 0.00 0.00 56.10 54.49 1xdx s TRP 98 Cb -0.16 -1.97 0.03 0.00 -0.81 0.00 0.00 33.47 30.56 1xdx s TRP 98 CO 0.09 0.54 0.25 -1.21 -0.51 0.00 0.00 176.95 176.10 1xdx s GLU 99 N -2.23 0.28 -0.02 4.98 8.01 -1.26 -1.42 118.70 127.03 1xdx s GLU 99 Ca 0.34 0.37 -0.07 0.00 0.01 0.00 0.00 54.97 55.62 1xdx s GLU 99 Cb -0.13 0.10 -0.03 0.00 -4.31 0.00 0.00 34.13 29.77 1xdx s GLU 99 CO 0.21 -0.05 -0.15 0.27 0.01 0.00 0.00 175.26 175.56 1xdx n ASN 100 N 3.13 1.42 0.00 -0.19 0.23 -1.23 -1.04 115.26 117.58 1xdx n ASN 100 Ca -0.15 0.21 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 1xdx n ASN 100 Cb 0.58 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 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 -3.88 0.00 0.00 -3.83 -0.00 -1.26 0.08 118.16 109.27 1xdx n LYS 101 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 1xdx n LYS 101 Cb 0.24 -0.04 0.00 0.00 -0.00 0.00 0.00 35.03 35.23 1xdx n LYS 101 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1xdx n SER 102 N -1.70 0.29 -4.82 -5.58 3.41 -1.26 -4.56 113.62 99.40 1xdx n SER 102 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 1xdx n SER 102 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1xdx n SER 102 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1xdx s MET 103 N -1.90 4.24 0.16 4.33 0.00 -1.26 -4.58 119.30 120.30 1xdx s MET 103 Ca 0.00 0.97 0.09 0.00 0.00 0.00 0.00 55.69 56.76 1xdx s MET 103 Cb 0.00 -2.54 -0.04 0.00 0.00 0.00 0.00 34.83 32.25 1xdx s MET 103 CO 0.00 0.18 -0.21 0.71 0.00 0.00 0.00 175.02 175.71 1xdx s TYR 104 N -1.86 1.98 -0.18 4.11 2.02 -0.54 -3.58 117.35 119.31 1xdx s TYR 104 Ca 0.53 -0.42 -0.04 0.00 -0.37 0.00 0.00 57.07 56.77 1xdx s TYR 104 Cb -0.13 -1.00 0.08 0.00 -0.40 0.00 0.00 41.96 40.51 1xdx s TYR 104 CO 0.18 0.37 0.21 0.00 -1.57 0.00 0.00 175.55 174.75 1xdx s ILE 106 N 2.33 5.07 -0.20 0.00 2.07 -0.44 0.00 121.20 130.03 1xdx s ILE 106 Ca 0.06 -0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.24 1xdx s ILE 106 Cb -0.15 -3.98 -0.01 0.00 0.13 0.00 0.00 42.46 38.46 1xdx s ILE 106 CO -0.11 -0.30 -0.07 0.00 -1.91 0.00 0.00 174.94 172.55 1xdx s THR 108 N 1.32 3.44 -0.21 0.00 -1.32 0.21 -0.66 115.64 118.43 1xdx s THR 108 Ca 0.04 -0.53 -0.06 0.00 -1.21 0.00 0.00 61.69 59.92 1xdx s THR 108 Cb -0.14 -2.46 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 1xdx s THR 108 CO -0.04 0.53 0.04 -0.69 -2.21 0.00 0.00 174.62 172.25 1xdx s VAL 109 N 0.07 4.27 -0.53 5.08 1.01 0.30 -1.52 120.40 129.08 1xdx s VAL 109 Ca -0.03 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 1xdx s VAL 109 Cb -0.14 -2.95 0.13 0.00 0.00 0.00 0.00 36.38 33.42 1xdx s VAL 109 CO 0.04 0.40 0.47 -0.36 0.00 0.00 0.00 175.10 175.65 1xdx s PHE 110 N 1.05 3.31 -0.97 5.22 0.40 0.12 -1.29 117.98 125.82 1xdx s PHE 110 Ca 0.03 -1.46 -0.19 0.00 -0.60 0.00 0.00 56.93 54.71 1xdx s PHE 110 Cb -0.14 -3.73 0.12 0.00 0.51 0.00 0.00 43.02 39.78 1xdx s PHE 110 CO 0.02 -1.01 1.22 0.20 0.70 0.00 0.00 175.22 176.35 1xdx s GLY 111 N 3.32 1.84 -0.07 4.36 0.00 -1.24 0.33 107.32 115.85 1xdx s GLY 111 Ca 0.04 -2.72 -0.18 0.00 0.00 0.00 0.00 44.72 41.86 1xdx s GLY 111 CO 0.02 2.15 0.50 1.08 0.00 0.00 0.00 173.10 176.85 1xdx s LEU 112 N 3.05 4.34 -1.11 0.66 1.02 0.86 -2.33 118.68 125.18 1xdx s LEU 112 Ca 0.36 0.92 -0.25 0.00 0.02 0.00 0.00 54.13 55.19 1xdx s LEU 112 Cb -0.04 -2.74 -0.17 0.00 0.02 0.00 0.00 46.19 43.26 1xdx s LEU 112 CO -0.09 0.07 2.02 0.00 0.02 0.00 0.00 176.35 178.38 1xdx n ALA 113 N 3.17 1.00 -0.48 4.21 0.00 0.17 -3.09 120.51 125.49 1xdx n ALA 113 Ca -0.08 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.74 1xdx n ALA 113 Cb 0.52 -3.42 0.00 0.00 0.00 0.00 0.00 19.45 16.54 1xdx n ALA 113 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61