#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 0.10 0.03 2.13 -1.26 -5.09 120.64 116.55 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 -0.02 0.00 0.00 0.27 0.00 0.00 31.44 31.69 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 1.62 -0.88 3.56 8.31 0.00 -1.26 -5.09 105.19 111.45 1xdx n GLY 3 Ca 0.00 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 5.20 -0.38 1.61 1.01 -1.26 -4.69 120.40 119.88 1xdx s VAL 4 Ca 0.00 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.15 1xdx s VAL 4 Cb 0.00 -3.76 0.11 0.00 0.00 0.00 0.00 36.38 32.73 1xdx s VAL 4 CO 0.00 0.00 0.10 -0.62 0.00 0.00 0.00 175.10 174.58 1xdx s ASP 5 N 1.72 4.69 -0.19 3.32 -1.08 0.14 -4.90 116.67 120.37 1xdx s ASP 5 Ca 0.11 -2.34 -0.29 0.00 -0.52 0.00 0.00 52.55 49.51 1xdx s ASP 5 Cb -0.16 -1.64 -0.05 0.00 -1.46 0.00 0.00 42.92 39.61 1xdx s ASP 5 CO 0.11 -0.35 2.03 -2.16 0.52 0.00 0.00 175.17 175.32 1xdx s PRO 6 N 0.65 3.43 -0.17 4.34 0.04 -1.25 -4.08 135.00 137.96 1xdx s PRO 6 Ca 0.12 1.99 -0.09 0.00 0.04 0.00 0.00 61.00 63.07 1xdx s PRO 6 Cb -0.21 -4.26 0.03 0.00 0.04 0.00 0.00 34.50 30.10 1xdx s PRO 6 CO -0.06 -1.76 0.18 0.00 0.04 0.00 0.00 177.00 175.40 1xdx n ALA 7 N 10.31 -3.57 -0.08 8.56 0.00 -0.39 -5.00 120.51 130.34 1xdx n ALA 7 Ca 0.25 1.78 -0.12 0.00 0.00 0.00 0.00 53.44 55.35 1xdx n ALA 7 Cb 0.45 -3.47 -0.07 0.00 0.00 0.00 0.00 19.45 16.35 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 1.26 0.87 -3.75 0.00 0.31 -1.26 -4.86 118.33 110.91 1xdx n VAL 8 Ca -0.30 -0.31 -0.28 0.00 -0.01 0.00 0.00 64.34 63.44 1xdx n VAL 8 Cb 0.46 -1.20 -0.12 0.00 -0.91 0.00 0.00 33.84 32.08 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 -2.30 1.87 0.10 5.55 0.41 -1.26 -5.09 118.70 117.98 1xdx s GLU 9 Ca -0.21 -2.80 -0.31 0.00 -0.41 0.00 0.00 54.97 51.24 1xdx s GLU 9 Cb 0.06 -2.75 -0.08 0.00 -1.78 0.00 0.00 34.13 29.58 1xdx s GLU 9 CO 0.33 -1.29 1.49 -2.00 -0.49 0.00 0.00 175.26 173.31 1xdx s GLU 10 N -0.75 4.26 0.30 1.61 -6.30 -1.26 -4.17 118.70 112.39 1xdx s GLU 10 Ca 0.25 2.19 0.08 0.00 -2.50 0.00 0.00 54.97 55.00 1xdx s GLU 10 Cb -0.06 -3.34 -0.04 0.00 0.00 0.00 0.00 34.13 30.69 1xdx s GLU 10 CO -0.14 -0.56 0.11 0.00 0.02 0.00 0.00 175.26 174.68 1xdx s ALA 11 N 1.60 3.41 0.31 6.30 0.00 -1.26 -4.91 121.76 127.21 1xdx s ALA 11 Ca 0.68 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1xdx s ALA 11 Cb -0.38 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1xdx s ALA 11 CO 0.30 0.14 0.00 0.00 0.00 0.00 0.00 175.76 176.21 1xdx n ALA 12 N -1.08 -2.16 -0.00 0.00 0.00 -0.98 -4.40 120.51 111.90 1xdx n ALA 12 Ca -0.05 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1xdx n ALA 12 Cb 0.60 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.63 0.00 -3.43 0.00 7.35 -1.26 -4.99 117.46 115.75 1xdx n PHE 13 Ca 0.00 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.45 1xdx n PHE 13 Cb 0.00 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.82 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 -0.98 5.12 -0.85 -2.13 1.01 -1.26 -4.61 120.40 116.70 1xdx s VAL 14 Ca 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1xdx s VAL 14 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1xdx s VAL 14 CO 0.00 -0.50 0.76 0.00 0.00 0.00 0.00 175.10 175.36 1xdx n ALA 15 N -1.62 -2.35 -0.02 5.51 0.00 -1.26 -4.73 120.51 116.04 1xdx n ALA 15 Ca -0.05 0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 1xdx n ALA 15 Cb 0.56 -3.83 0.28 0.00 0.00 0.00 0.00 19.45 16.46 1xdx n ALA 15 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xdx h ASP 16 N -0.45 0.54 -0.15 0.00 3.32 -1.97 0.35 116.42 118.06 1xdx h ASP 16 Ca -0.34 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 56.64 1xdx h ASP 16 Cb 1.17 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 1xdx h ASP 16 CO 0.35 0.60 -0.08 0.44 -1.72 0.00 0.00 179.24 178.83 1xdx h ASP 17 N 0.55 -0.26 0.87 6.45 5.19 -1.99 -1.11 116.42 126.12 1xdx h ASP 17 Ca 0.12 0.06 -0.23 0.00 -0.62 0.00 0.00 57.03 56.36 1xdx h ASP 17 Cb 0.33 0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 1xdx h ASP 17 CO 0.01 -0.11 -1.12 0.58 -3.12 0.00 0.00 179.24 175.48 1xdx h VAL 18 N -0.07 1.58 -0.88 -1.35 2.07 -1.90 -3.28 116.25 112.42 1xdx h VAL 18 Ca 0.08 -3.28 0.06 0.00 0.82 0.00 0.00 66.70 64.38 1xdx h VAL 18 Cb 0.20 2.83 -0.06 0.00 -1.52 0.00 0.00 31.29 32.73 1xdx h VAL 18 CO -0.19 0.92 0.56 -1.28 0.02 0.00 0.00 177.57 177.59 1xdx h SER 19 N 0.02 0.88 -0.31 0.57 0.87 0.03 -2.15 113.55 113.46 1xdx h SER 19 Ca -0.06 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.37 1xdx h SER 19 Cb 1.84 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 63.62 1xdx h SER 19 CO 0.14 0.57 -0.36 -0.55 -0.53 0.00 0.00 176.83 176.10 1xdx h ASN 20 N 1.02 0.86 0.13 6.23 7.08 -1.30 -2.71 115.58 126.88 1xdx h ASN 20 Ca 0.38 -0.48 0.01 0.00 -3.08 0.00 0.00 56.30 53.13 1xdx h ASN 20 Cb 0.15 -0.24 -0.03 0.00 -2.08 0.00 0.00 38.32 36.12 1xdx h ASN 20 CO -0.17 1.17 -0.22 0.40 -2.08 0.00 0.00 177.43 176.53 1xdx h ILE 21 N 0.56 0.51 -0.09 6.14 2.04 -1.50 0.23 117.51 125.40 1xdx h ILE 21 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1xdx h ILE 21 Cb 0.95 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1xdx h ILE 21 CO 0.09 0.00 0.06 -0.29 0.00 0.00 0.00 178.15 178.00 1xdx h ILE 22 N -0.42 1.04 -0.18 -0.67 6.09 -1.47 -0.15 117.51 121.75 1xdx h ILE 22 Ca 0.02 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.41 1xdx h ILE 22 Cb 0.44 0.95 -0.01 0.00 0.47 0.00 0.00 36.82 38.67 1xdx h ILE 22 CO -0.11 0.04 0.12 0.11 -3.07 0.00 0.00 178.15 175.23 1xdx h LYS 23 N 0.10 0.24 -0.61 2.19 1.57 -1.33 -1.38 116.57 117.35 1xdx h LYS 23 Ca 0.03 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1xdx h LYS 23 Cb 0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1xdx h LYS 23 CO -0.01 0.17 0.41 0.93 -0.57 0.00 0.00 179.45 180.38 1xdx h GLU 24 N 0.23 0.67 -0.15 3.15 4.39 -0.40 -2.00 114.58 120.47 1xdx h GLU 24 Ca 0.07 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1xdx h GLU 24 Cb -0.01 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1xdx h GLU 24 CO -0.01 0.44 0.01 0.77 -1.16 0.00 0.00 179.01 179.06 1xdx h SER 25 N 0.69 0.25 -0.83 1.42 0.02 -0.25 -2.85 113.55 112.00 1xdx h SER 25 Ca 0.25 -0.29 0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1xdx h SER 25 Cb 0.14 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 1xdx h SER 25 CO -0.07 0.48 0.53 0.40 -1.14 0.00 0.00 176.83 177.03 1xdx h ILE 26 N 0.01 1.13 -0.97 3.27 5.03 -0.77 1.34 117.51 126.55 1xdx h ILE 26 Ca 0.04 -0.36 0.20 0.00 -0.12 0.00 0.00 64.86 64.63 1xdx h ILE 26 Cb 0.34 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 34.05 1xdx h ILE 26 CO 0.01 0.19 0.62 -0.78 -0.68 0.00 0.00 178.15 177.50 1xdx h ASP 27 N 1.04 0.61 0.13 1.72 3.58 -1.23 0.85 116.42 123.12 1xdx h ASP 27 Ca 0.33 0.07 -0.36 0.00 0.42 0.00 0.00 57.03 57.50 1xdx h ASP 27 Cb 0.00 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1xdx h ASP 27 CO -0.11 0.22 -1.93 0.00 -2.88 0.00 0.00 179.24 174.53 1xdx h ALA 28 N 1.63 0.39 0.00 -0.78 0.00 -0.87 -1.30 119.26 118.33 1xdx h ALA 28 Ca 0.54 -1.35 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1xdx h ALA 28 Cb 1.07 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1xdx h ALA 28 CO -0.29 1.25 0.00 0.28 0.00 0.00 0.00 179.25 180.48 1xdx n VAL 29 N -3.55 0.70 0.00 0.00 0.31 0.44 -0.64 118.33 115.60 1xdx n VAL 29 Ca -0.31 0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1xdx n VAL 29 Cb 1.03 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 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 -1.47 0.55 0.04 7.52 7.99 0.29 -4.70 117.00 127.21 1xdx n LEU 30 Ca 0.05 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.17 1xdx n LEU 30 Cb 0.20 0.00 0.10 0.00 -0.11 0.00 0.00 43.42 43.62 1xdx n LEU 30 CO 0.17 0.09 0.18 1.67 -1.51 0.00 0.00 177.39 177.99 1xdx n GLN 31 N -2.07 0.25 -0.33 3.23 7.27 -0.49 -4.31 117.38 120.93 1xdx n GLN 31 Ca 0.00 0.03 0.26 0.00 0.07 0.00 0.00 57.00 57.36 1xdx n GLN 31 Cb 0.49 -1.62 0.50 0.00 2.41 0.00 0.00 30.24 32.03 1xdx n GLN 31 CO 0.00 0.00 0.00 -2.95 0.07 0.00 0.00 177.06 174.18 1xdx h ASN 32 N 0.00 0.47 -0.77 1.69 7.08 -1.03 -3.44 115.58 119.58 1xdx h ASN 32 Ca 0.00 0.21 0.00 0.00 -3.08 0.00 0.00 56.30 53.43 1xdx h ASN 32 Cb 0.71 0.17 0.00 0.00 -2.08 0.00 0.00 38.32 37.11 1xdx h ASN 32 CO 0.00 -0.20 0.00 1.67 -2.08 0.00 0.00 177.43 176.82 1xdx n GLN 33 N -5.10 0.00 -1.95 4.14 -0.06 -1.26 -5.12 117.38 108.03 1xdx n GLN 33 Ca 0.33 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 55.04 1xdx n GLN 33 Cb 1.05 0.00 0.17 0.00 -4.06 0.00 0.00 30.24 27.40 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 -0.27 0.83 -0.38 3.69 2.00 -1.26 -4.97 119.66 119.29 1xdx s GLN 34 Ca 0.00 -0.37 -0.29 0.00 -2.00 0.00 0.00 55.36 52.71 1xdx s GLN 34 Cb 0.00 -1.87 0.00 0.00 0.80 0.00 0.00 33.01 31.94 1xdx s GLN 34 CO 0.00 -2.29 1.47 -0.47 -0.50 0.00 0.00 175.29 173.50 1xdx s TYR 35 N -3.83 2.32 -0.17 1.67 6.14 -1.26 -4.99 117.35 117.22 1xdx s TYR 35 Ca 0.72 0.67 0.01 0.00 0.64 0.00 0.00 57.07 59.12 1xdx s TYR 35 Cb -0.05 -4.24 0.01 0.00 0.42 0.00 0.00 41.96 38.11 1xdx s TYR 35 CO 0.52 -2.16 -0.19 -1.12 0.64 0.00 0.00 175.55 173.24 1xdx s SER 36 N 4.19 3.24 0.25 4.32 0.01 -1.26 -5.01 113.70 119.45 1xdx s SER 36 Ca 0.64 -0.60 -0.04 0.00 1.31 0.00 0.00 55.95 57.26 1xdx s SER 36 Cb -0.16 -1.49 0.38 0.00 0.21 0.00 0.00 66.02 64.96 1xdx s SER 36 CO 0.32 0.04 1.87 -0.08 0.41 0.00 0.00 173.24 175.79 1xdx h GLU 37 N 7.67 1.05 0.00 12.44 4.57 -1.98 0.97 114.58 139.29 1xdx h GLU 37 Ca -0.40 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1xdx h GLU 37 Cb 1.16 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 29.52 1xdx h GLU 37 CO 0.60 0.69 -0.01 0.00 -1.18 0.00 0.00 179.01 179.11 1xdx h ALA 38 N 1.43 1.50 0.00 2.92 0.00 -2.02 -0.77 119.26 122.33 1xdx h ALA 38 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1xdx h ALA 38 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xdx h ALA 38 CO -0.18 0.02 -1.37 1.63 0.00 0.00 0.00 179.25 179.35 1xdx n LYS 39 N -3.83 0.32 -0.02 0.00 4.01 0.11 -3.97 118.16 114.77 1xdx n LYS 39 Ca -0.03 -0.07 0.24 0.00 -0.51 0.00 0.00 58.31 57.94 1xdx n LYS 39 Cb 0.10 -1.53 0.70 0.00 -0.51 0.00 0.00 35.03 33.78 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 0.23 1.15 116.25 119.85 1xdx h VAL 40 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1xdx h VAL 40 Cb 0.74 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1xdx h VAL 40 CO 0.00 0.00 -1.49 -0.24 0.02 0.00 0.00 177.57 175.86 1xdx n SER 41 N -3.73 3.30 0.14 0.57 2.88 -1.26 -4.53 113.62 110.99 1xdx n SER 41 Ca 0.13 -0.02 0.01 0.00 -1.33 0.00 0.00 58.87 57.66 1xdx n SER 41 Cb 0.86 0.34 0.33 0.00 -0.75 0.00 0.00 64.21 64.99 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 0.14 -0.18 -1.46 7.50 -1.54 -2.99 115.11 116.58 1xdx h GLN 42 Ca -0.19 -0.05 0.02 0.00 0.50 0.00 0.00 58.65 58.93 1xdx h GLN 42 Cb 1.38 -0.01 -0.04 0.00 0.05 0.00 0.00 27.48 28.86 1xdx h GLN 42 CO -0.01 0.45 -0.25 -1.49 -1.50 0.00 0.00 178.83 176.03 1xdx h TRP 43 N 0.13 -0.76 -0.19 2.96 6.55 0.11 0.37 115.95 125.12 1xdx h TRP 43 Ca 0.02 0.04 0.06 0.00 0.95 0.00 0.00 58.89 59.95 1xdx h TRP 43 Cb 0.62 0.35 -0.01 0.00 -0.86 0.00 0.00 29.16 29.27 1xdx h TRP 43 CO 0.01 -0.22 0.19 0.00 -1.05 0.00 0.00 178.44 177.37 1xdx h THR 44 N -0.17 0.56 -0.28 1.49 1.03 -1.76 0.33 112.91 114.10 1xdx h THR 44 Ca 0.03 0.00 -0.16 0.00 -0.01 0.00 0.00 66.41 66.28 1xdx h THR 44 Cb 0.26 0.86 -0.01 0.00 -1.07 0.00 0.00 68.15 68.19 1xdx h THR 44 CO -0.26 0.00 -0.45 0.77 -0.01 0.00 0.00 175.52 175.56 1xdx h SER 45 N 0.00 0.79 -0.02 0.00 4.64 -0.56 0.46 113.55 118.86 1xdx h SER 45 Ca 0.09 -0.38 -0.12 0.00 -0.47 0.00 0.00 61.79 60.91 1xdx h SER 45 Cb 0.46 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1xdx h SER 45 CO -0.00 1.13 -0.35 0.28 -0.87 0.00 0.00 176.83 177.02 1xdx h SER 46 N 0.59 0.53 -0.18 4.97 0.02 0.32 -1.47 113.55 118.32 1xdx h SER 46 Ca 0.04 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1xdx h SER 46 Cb 1.01 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1xdx h SER 46 CO 0.10 0.83 0.11 0.00 -1.14 0.00 0.00 176.83 176.73 1xdx h LEU 48 N 0.22 0.86 -0.16 0.00 4.07 -0.60 1.23 115.31 120.93 1xdx h LEU 48 Ca 0.06 -0.02 -0.22 0.00 0.08 0.00 0.00 57.88 57.78 1xdx h LEU 48 Cb 0.01 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 1xdx h LEU 48 CO -0.01 0.62 -0.97 -0.08 -1.08 0.00 0.00 178.44 176.92 1xdx h GLU 49 N 1.02 0.25 -0.02 1.13 4.81 -0.67 0.40 114.58 121.49 1xdx h GLU 49 Ca 0.28 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xdx h GLU 49 Cb -0.12 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1xdx h GLU 49 CO -0.06 1.04 0.00 0.72 -0.73 0.00 0.00 179.01 179.98 1xdx n HIS 50 N -3.63 0.02 -0.09 0.92 8.25 0.32 -1.28 115.22 119.73 1xdx n HIS 50 Ca -0.05 -0.01 -0.15 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 -0.29 1.27 -0.38 0.00 -0.00 -0.97 -1.53 117.51 115.62 1xdx h ILE 52 Ca -0.42 -0.95 -0.00 0.00 -0.00 0.00 0.00 64.86 63.49 1xdx h ILE 52 Cb 1.52 1.56 -0.02 0.00 -0.00 0.00 0.00 36.82 39.87 1xdx h ILE 52 CO -0.16 0.28 0.23 0.11 -0.00 0.00 0.00 178.15 178.61 1xdx h LYS 53 N 0.04 0.50 -0.12 2.19 6.56 -1.41 -1.56 116.57 122.78 1xdx h LYS 53 Ca 0.05 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.55 1xdx h LYS 53 Cb 0.44 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 31.99 1xdx h LYS 53 CO 0.01 0.35 -0.13 -0.09 -2.06 0.00 0.00 179.45 177.53 1xdx h ARG 54 N 0.51 0.31 0.00 3.15 1.12 -1.66 -2.02 114.38 115.79 1xdx h ARG 54 Ca 0.14 -0.16 -0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1xdx h ARG 54 Cb -0.03 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 29.94 1xdx h ARG 54 CO -0.03 0.71 -0.02 -0.07 -3.11 0.00 0.00 179.97 177.46 1xdx h LEU 55 N -0.09 0.00 -0.01 3.80 3.38 -0.78 -0.11 115.31 121.51 1xdx h LEU 55 Ca 0.02 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.72 1xdx h LEU 55 Cb 0.66 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.43 1xdx h LEU 55 CO 0.03 0.02 -1.04 0.71 0.09 0.00 0.00 178.44 178.25 1xdx h THR 56 N 0.00 1.28 -0.14 0.22 1.35 -1.16 0.40 112.91 114.87 1xdx h THR 56 Ca -0.00 -2.25 -0.09 0.00 -0.55 0.00 0.00 66.41 63.53 1xdx h THR 56 Cb 0.04 2.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.82 1xdx h THR 56 CO 0.00 0.70 -0.31 0.00 -0.25 0.00 0.00 175.52 175.66 1xdx h ALA 57 N 0.41 1.22 0.00 6.62 0.00 -0.58 -2.84 119.26 124.09 1xdx h ALA 57 Ca -0.13 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 1xdx h ALA 57 Cb 1.69 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 1xdx h ALA 57 CO 0.20 0.52 -1.25 -0.07 0.00 0.00 0.00 179.25 178.65 1xdx h LEU 58 N 0.24 0.00 -3.33 0.00 3.38 -1.03 -3.50 115.31 111.08 1xdx h LEU 58 Ca 0.03 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.68 1xdx h LEU 58 Cb 0.67 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.43 1xdx h LEU 58 CO 0.05 0.72 -1.04 -0.46 0.09 0.00 0.00 178.44 177.80 1xdx n ASN 59 N -3.05 -5.91 -3.30 -0.43 6.94 0.14 -5.02 115.26 104.63 1xdx n ASN 59 Ca -0.08 -0.14 0.03 0.00 -0.02 0.00 0.00 54.58 54.37 1xdx n ASN 59 Cb 0.88 -2.42 -0.04 0.00 -2.36 0.00 0.00 39.78 35.84 1xdx n ASN 59 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1xdx s LYS 60 N -2.83 0.10 0.00 -3.83 2.47 -1.25 -4.89 119.74 109.50 1xdx s LYS 60 Ca 0.30 0.23 0.00 0.00 -1.56 0.00 0.00 55.97 54.94 1xdx s LYS 60 Cb -0.04 0.12 0.00 0.00 -1.46 0.00 0.00 37.83 36.45 1xdx s LYS 60 CO 0.86 -0.03 0.08 -2.30 0.16 0.00 0.00 175.35 174.12 1xdx n PRO 61 N 4.40 0.00 0.00 4.03 -0.02 -1.26 -4.99 135.00 137.17 1xdx n PRO 61 Ca -0.09 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1xdx n PRO 61 Cb 0.55 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 1xdx n PRO 61 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1xdx n PHE 62 N -1.63 -0.07 -3.33 6.00 3.01 -1.26 -5.03 117.46 115.14 1xdx n PHE 62 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.07 1xdx n PHE 62 Cb 0.00 0.10 -0.07 0.00 -0.01 0.00 0.00 39.48 39.50 1xdx n PHE 62 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1xdx s LYS 63 N -0.20 4.16 -0.01 -1.08 2.20 -1.02 -4.98 119.74 118.81 1xdx s LYS 63 Ca 0.00 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1xdx s LYS 63 Cb 0.00 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1xdx s LYS 63 CO 0.00 -0.11 -0.01 1.52 -0.36 0.00 0.00 175.35 176.39 1xdx s TYR 64 N 1.54 0.12 0.11 4.03 -0.85 -1.26 -0.36 117.35 120.69 1xdx s TYR 64 Ca 0.20 -0.00 0.05 0.00 -0.52 0.00 0.00 57.07 56.80 1xdx s TYR 64 Cb -0.15 -0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.03 1xdx s TYR 64 CO 0.09 -0.02 0.01 0.08 -1.52 0.00 0.00 175.55 174.18 1xdx s VAL 65 N 0.17 4.00 -0.24 -3.49 1.01 0.84 -4.94 120.40 117.74 1xdx s VAL 65 Ca -0.01 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 1xdx s VAL 65 Cb -0.03 -2.93 0.08 0.00 0.00 0.00 0.00 36.38 33.50 1xdx s VAL 65 CO -0.00 0.07 0.06 -0.69 0.00 0.00 0.00 175.10 174.53 1xdx s VAL 66 N -1.40 0.66 0.02 2.92 1.01 -1.26 0.50 120.40 122.84 1xdx s VAL 66 Ca 0.26 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1xdx s VAL 66 Cb -0.11 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1xdx s VAL 66 CO 0.19 -0.39 -0.17 0.28 0.00 0.00 0.00 175.10 175.01 1xdx s THR 67 N 1.77 1.34 0.06 3.92 -1.32 -0.50 -4.92 115.64 115.99 1xdx s THR 67 Ca 0.03 -0.92 0.02 0.00 -1.21 0.00 0.00 61.69 59.61 1xdx s THR 67 Cb -0.17 -1.15 -0.03 0.00 -1.51 0.00 0.00 72.50 69.63 1xdx s THR 67 CO -0.15 0.22 -0.07 0.00 -2.21 0.00 0.00 174.62 172.40 1xdx s ILE 69 N -2.30 0.42 0.22 0.00 1.01 0.14 -4.98 121.20 115.70 1xdx s ILE 69 Ca -0.02 0.06 -0.17 0.00 0.00 0.00 0.00 60.65 60.52 1xdx s ILE 69 Cb -0.04 -0.54 -0.08 0.00 0.01 0.00 0.00 42.46 41.82 1xdx s ILE 69 CO -0.02 0.25 0.67 0.27 0.00 0.00 0.00 174.94 176.11 1xdx s ILE 70 N 1.68 4.69 -0.22 2.92 -4.36 -1.26 -1.06 121.20 123.59 1xdx s ILE 70 Ca 0.01 1.06 0.01 0.00 -0.26 0.00 0.00 60.65 61.47 1xdx s ILE 70 Cb -0.13 -3.77 0.05 0.00 1.25 0.00 0.00 42.46 39.86 1xdx s ILE 70 CO -0.04 0.13 -0.11 -0.04 0.24 0.00 0.00 174.94 175.13 1xdx s MET 71 N -2.19 2.14 -0.61 0.37 -1.94 -0.15 -4.97 119.30 111.95 1xdx s MET 71 Ca 0.44 -0.98 -0.26 0.00 -1.71 0.00 0.00 55.69 53.18 1xdx s MET 71 Cb -0.15 -2.57 -0.11 0.00 2.01 0.00 0.00 34.83 34.02 1xdx s MET 71 CO 0.20 -0.46 2.44 0.94 -0.01 0.00 0.00 175.02 178.13 1xdx n GLN 72 N 4.61 0.81 0.00 2.03 7.27 -1.26 -1.33 117.38 129.51 1xdx n GLN 72 Ca -0.15 -0.16 0.00 0.00 0.07 0.00 0.00 57.00 56.76 1xdx n GLN 72 Cb 0.46 -3.22 0.00 0.00 2.41 0.00 0.00 30.24 29.88 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 8.82 0.00 0.00 3.69 4.81 -1.26 -3.04 118.16 131.18 1xdx n LYS 73 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1xdx n LYS 73 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 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 2.14 0.00 -2.68 3.14 0.23 -1.26 -3.88 115.26 112.94 1xdx n ASN 74 Ca 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.00 1xdx n ASN 74 Cb 0.00 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 37.74 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 0.00 2.59 2.76 4.83 0.00 -1.17 -5.05 105.19 109.15 1xdx n GLY 75 Ca 0.00 -1.38 -0.21 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.71 0.52 -0.41 4.61 0.00 -1.26 -5.09 121.76 116.42 1xdx s ALA 76 Ca 0.31 0.00 -0.28 0.00 0.00 0.00 0.00 51.96 51.99 1xdx s ALA 76 Cb 0.35 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1xdx s ALA 76 CO -0.02 -0.39 1.66 0.20 0.00 0.00 0.00 175.76 177.20 1xdx s GLY 77 N 1.84 0.83 -0.08 0.00 0.00 -1.26 -4.97 107.32 103.68 1xdx s GLY 77 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1xdx s GLY 77 CO -0.04 3.09 -0.06 -2.27 0.00 0.00 0.00 173.10 173.82 1xdx s LEU 78 N 6.62 1.20 -0.15 0.66 1.98 -1.26 -5.11 118.68 122.62 1xdx s LEU 78 Ca 0.70 -0.22 -0.02 0.00 -2.89 0.00 0.00 54.13 51.70 1xdx s LEU 78 Cb -0.18 -0.68 0.05 0.00 0.66 0.00 0.00 46.19 46.04 1xdx s LEU 78 CO 0.31 -0.09 0.02 -1.00 -1.89 0.00 0.00 176.35 173.71 1xdx s HIS 79 N 1.36 0.90 0.18 5.38 3.76 -1.26 -5.14 115.29 120.47 1xdx s HIS 79 Ca -0.03 -0.63 -0.01 0.00 -0.15 0.00 0.00 55.06 54.25 1xdx s HIS 79 Cb -0.14 -0.95 -0.04 0.00 1.11 0.00 0.00 32.58 32.56 1xdx s HIS 79 CO -0.03 -0.52 0.37 0.99 -0.85 0.00 0.00 174.74 174.69 1xdx s THR 80 N 1.90 5.22 0.01 1.30 2.01 -1.26 -5.11 115.64 119.70 1xdx s THR 80 Ca 0.01 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1xdx s THR 80 Cb -0.15 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 1xdx s THR 80 CO -0.07 -0.11 -0.05 0.00 -0.69 0.00 0.00 174.62 173.70 1xdx s ALA 81 N -1.80 0.38 -0.27 7.40 0.00 -1.26 -5.15 121.76 121.07 1xdx s ALA 81 Ca 0.38 -0.30 -0.15 0.00 0.00 0.00 0.00 51.96 51.89 1xdx s ALA 81 Cb -0.11 -0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.03 1xdx s ALA 81 CO 0.28 0.06 0.66 0.00 0.00 0.00 0.00 175.76 176.76 1xdx s ALA 82 N -0.37 -1.77 -0.18 0.00 0.00 -1.26 -5.14 121.76 113.04 1xdx s ALA 82 Ca -0.01 2.31 0.01 0.00 0.00 0.00 0.00 51.96 54.27 1xdx s ALA 82 Cb -0.03 -1.36 0.03 0.00 0.00 0.00 0.00 23.12 21.75 1xdx s ALA 82 CO -0.00 -0.36 -0.14 0.45 0.00 0.00 0.00 175.76 175.70 1xdx s SER 83 N 1.59 3.18 0.05 0.00 0.15 -1.26 -5.12 113.70 112.29 1xdx s SER 83 Ca -0.10 -0.74 -0.03 0.00 0.70 0.00 0.00 55.95 55.78 1xdx s SER 83 Cb -0.05 -1.31 -0.04 0.00 -1.71 0.00 0.00 66.02 62.90 1xdx s SER 83 CO -0.19 -0.08 0.25 0.00 1.20 0.00 0.00 173.24 174.42 1xdx n TRP 85 N 0.59 -0.59 -2.27 0.00 -0.00 -1.26 -5.07 117.44 108.84 1xdx n TRP 85 Ca -0.07 0.00 -0.26 0.00 -0.00 0.00 0.00 57.50 57.17 1xdx n TRP 85 Cb 0.52 0.00 0.12 0.00 -0.00 0.00 0.00 31.31 31.95 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 -0.11 1.93 0.00 5.87 0.23 -1.26 -4.92 118.94 120.68 1xdx s TRP 86 Ca 0.00 0.10 0.00 0.00 -2.03 0.00 0.00 56.10 54.17 1xdx s TRP 86 Cb 0.00 -3.42 0.00 0.00 0.03 0.00 0.00 33.47 30.08 1xdx s TRP 86 CO 0.00 -1.94 0.00 -3.47 0.96 0.00 0.00 176.95 172.50 1xdx n ASP 87 N -3.16 -1.54 -0.11 2.95 2.03 -1.26 -4.94 116.55 110.52 1xdx n ASP 87 Ca 0.13 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.55 1xdx n ASP 87 Cb 0.60 -0.77 0.61 0.00 -0.72 0.00 0.00 41.12 40.84 1xdx n ASP 87 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1xdx n SER 88 N 0.00 0.32 0.10 1.67 2.88 -1.26 -3.88 113.62 113.45 1xdx n SER 88 Ca 0.00 -1.38 0.11 0.00 -1.33 0.00 0.00 58.87 56.27 1xdx n SER 88 Cb 0.00 -0.02 0.60 0.00 -0.75 0.00 0.00 64.21 64.05 1xdx n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xdx h THR 89 N 0.45 0.93 -2.29 2.46 1.03 -1.90 -2.59 112.91 111.01 1xdx h THR 89 Ca 0.00 -0.05 -0.60 0.00 -0.01 0.00 0.00 66.41 65.75 1xdx h THR 89 Cb 0.10 0.78 -0.41 0.00 -1.07 0.00 0.00 68.15 67.54 1xdx h THR 89 CO 0.00 0.03 -0.54 0.35 -0.01 0.00 0.00 175.52 175.34 1xdx n THR 90 N -4.48 3.25 -3.61 0.00 -2.24 -1.25 0.81 114.28 106.77 1xdx n THR 90 Ca 0.03 -5.61 -0.29 0.00 -2.27 0.00 0.00 64.05 55.91 1xdx n THR 90 Cb 0.26 -1.42 -0.13 0.00 -2.10 0.00 0.00 70.33 66.94 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 -3.34 3.44 0.00 3.42 -1.08 -0.98 -4.78 116.67 113.36 1xdx s ASP 91 Ca 0.48 -2.22 0.00 0.00 -0.52 0.00 0.00 52.55 50.30 1xdx s ASP 91 Cb 0.27 -0.72 0.00 0.00 -1.46 0.00 0.00 42.92 41.01 1xdx s ASP 91 CO -0.14 -0.32 0.53 0.61 0.52 0.00 0.00 175.17 176.38 1xdx n GLY 92 N 4.05 -0.72 3.41 2.66 0.00 -0.58 -4.86 105.19 109.15 1xdx n GLY 92 Ca 0.07 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.12 1.56 -3.82 1.61 3.41 -1.25 -2.97 113.62 112.03 1xdx n SER 93 Ca 0.00 0.36 -0.29 0.00 -0.26 0.00 0.00 58.87 58.68 1xdx n SER 93 Cb 0.35 -1.16 -0.16 0.00 -0.26 0.00 0.00 64.21 62.98 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 6.75 1.07 0.19 4.33 1.81 -0.17 -4.95 118.95 127.98 1xdx s ARG 94 Ca 1.15 -0.63 -0.10 0.00 -1.72 0.00 0.00 55.73 54.43 1xdx s ARG 94 Cb -1.01 -2.27 -0.07 0.00 -0.45 0.00 0.00 34.95 31.16 1xdx s ARG 94 CO 0.51 -0.61 0.51 -0.08 -0.68 0.00 0.00 175.30 174.95 1xdx s THR 95 N 1.67 4.97 -0.05 0.02 -1.32 -1.26 -0.69 115.64 118.99 1xdx s THR 95 Ca -0.03 0.46 0.00 0.00 -1.21 0.00 0.00 61.69 60.92 1xdx s THR 95 Cb -0.18 -3.64 0.02 0.00 -1.51 0.00 0.00 72.50 67.20 1xdx s THR 95 CO -0.07 0.04 -0.03 -0.69 -2.21 0.00 0.00 174.62 171.66 1xdx s VAL 96 N -1.69 0.46 -0.39 5.08 1.01 0.67 -2.32 120.40 123.23 1xdx s VAL 96 Ca 0.43 -0.05 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 1xdx s VAL 96 Cb -0.12 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.74 1xdx s VAL 96 CO 0.21 0.22 0.60 -0.60 0.00 0.00 0.00 175.10 175.53 1xdx s ARG 97 N 1.16 3.49 -0.22 2.72 6.06 -1.26 0.23 118.95 131.13 1xdx s ARG 97 Ca -0.07 -0.20 -0.12 0.00 -2.50 0.00 0.00 55.73 52.84 1xdx s ARG 97 Cb -0.14 -3.87 -0.05 0.00 0.06 0.00 0.00 34.95 30.96 1xdx s ARG 97 CO -0.01 -0.82 0.25 -1.58 -2.50 0.00 0.00 175.30 170.63 1xdx s TRP 98 N 2.65 3.35 -0.06 5.12 0.23 0.14 -4.49 118.94 125.87 1xdx s TRP 98 Ca 0.22 0.38 0.03 0.00 -2.03 0.00 0.00 56.10 54.70 1xdx s TRP 98 Cb -0.15 -2.36 0.00 0.00 0.03 0.00 0.00 33.47 31.00 1xdx s TRP 98 CO 0.16 0.06 -0.15 -1.21 0.96 0.00 0.00 176.95 176.77 1xdx s GLU 99 N 1.09 1.79 0.00 4.98 0.41 -1.26 -0.39 118.70 125.31 1xdx s GLU 99 Ca 0.12 -0.52 0.00 0.00 -0.41 0.00 0.00 54.97 54.15 1xdx s GLU 99 Cb -0.14 -1.50 0.00 0.00 -1.78 0.00 0.00 34.13 30.71 1xdx s GLU 99 CO 0.05 0.14 0.00 0.27 -0.49 0.00 0.00 175.26 175.23 1xdx n ASN 100 N 3.46 0.00 -0.13 -0.19 6.94 -1.26 -1.27 115.26 122.82 1xdx n ASN 100 Ca -0.20 0.00 -0.27 0.00 -0.02 0.00 0.00 54.58 54.09 1xdx n ASN 100 Cb 0.53 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.85 1xdx n ASN 100 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1xdx n LYS 101 N -0.51 0.58 0.00 -3.83 0.00 -1.26 0.25 118.16 113.39 1xdx n LYS 101 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 58.31 58.61 1xdx n LYS 101 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 35.03 33.51 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 -4.30 0.00 -4.75 3.14 2.88 -1.26 -4.53 113.62 104.81 1xdx n SER 102 Ca -0.48 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 56.65 1xdx n SER 102 Cb 0.82 0.18 -0.03 0.00 -0.75 0.00 0.00 64.21 64.43 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 -1.51 4.35 0.21 -1.46 1.75 -1.26 -4.16 119.30 117.22 1xdx s MET 103 Ca 0.00 2.17 0.01 0.00 -1.25 0.00 0.00 55.69 56.62 1xdx s MET 103 Cb 0.00 -3.13 -0.04 0.00 2.84 0.00 0.00 34.83 34.50 1xdx s MET 103 CO 0.00 -0.28 0.38 0.71 -0.65 0.00 0.00 175.02 175.18 1xdx s TYR 104 N -0.27 3.48 -0.28 4.11 1.51 -0.45 -3.98 117.35 121.47 1xdx s TYR 104 Ca 0.55 0.24 -0.00 0.00 -1.01 0.00 0.00 57.07 56.84 1xdx s TYR 104 Cb -0.39 -1.77 0.14 0.00 -0.11 0.00 0.00 41.96 39.83 1xdx s TYR 104 CO 0.44 0.39 0.31 0.00 -1.11 0.00 0.00 175.55 175.58 1xdx s ILE 106 N 2.40 4.85 -0.24 0.00 2.07 -0.23 0.25 121.20 130.31 1xdx s ILE 106 Ca 0.09 0.25 -0.04 0.00 -1.41 0.00 0.00 60.65 59.55 1xdx s ILE 106 Cb -0.14 -4.16 0.00 0.00 0.13 0.00 0.00 42.46 38.29 1xdx s ILE 106 CO -0.30 -0.51 -0.02 0.00 -1.91 0.00 0.00 174.94 172.20 1xdx s THR 108 N 1.45 3.66 -0.18 0.00 -1.32 0.15 -0.23 115.64 119.16 1xdx s THR 108 Ca 0.04 -0.49 -0.01 0.00 -1.21 0.00 0.00 61.69 60.02 1xdx s THR 108 Cb -0.15 -2.50 -0.00 0.00 -1.51 0.00 0.00 72.50 68.34 1xdx s THR 108 CO -0.03 0.59 -0.12 -0.69 -2.21 0.00 0.00 174.62 172.16 1xdx s VAL 109 N -0.67 2.87 -0.60 5.08 1.01 0.14 -1.41 120.40 126.82 1xdx s VAL 109 Ca 0.10 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 1xdx s VAL 109 Cb -0.11 -2.25 0.11 0.00 0.00 0.00 0.00 36.38 34.13 1xdx s VAL 109 CO 0.02 0.49 0.70 -0.36 0.00 0.00 0.00 175.10 175.94 1xdx s PHE 110 N 1.03 3.03 -0.83 5.22 0.40 0.18 -1.00 117.98 126.02 1xdx s PHE 110 Ca -0.01 -1.01 -0.21 0.00 -0.60 0.00 0.00 56.93 55.10 1xdx s PHE 110 Cb -0.15 -4.00 0.09 0.00 0.51 0.00 0.00 43.02 39.47 1xdx s PHE 110 CO -0.02 -1.28 1.11 0.20 0.70 0.00 0.00 175.22 175.93 1xdx s GLY 111 N 3.61 1.58 -0.28 4.36 0.00 -1.16 -0.11 107.32 115.33 1xdx s GLY 111 Ca 0.11 -2.28 -0.11 0.00 0.00 0.00 0.00 44.72 42.45 1xdx s GLY 111 CO 0.06 2.14 0.18 1.08 0.00 0.00 0.00 173.10 176.56 1xdx s LEU 112 N 3.65 3.99 -1.24 0.66 1.02 0.52 -1.52 118.68 125.76 1xdx s LEU 112 Ca 0.30 -0.01 -0.17 0.00 0.02 0.00 0.00 54.13 54.27 1xdx s LEU 112 Cb -0.09 -2.11 0.10 0.00 0.02 0.00 0.00 46.19 44.11 1xdx s LEU 112 CO -0.01 -0.04 1.62 0.00 0.02 0.00 0.00 176.35 177.94 1xdx s ALA 113 N 1.71 3.45 0.00 4.21 0.00 0.24 -2.42 121.76 128.95 1xdx s ALA 113 Ca 0.07 -2.98 0.00 0.00 0.00 0.00 0.00 51.96 49.05 1xdx s ALA 113 Cb -0.16 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.48 1xdx s ALA 113 CO 0.10 -3.18 0.00 -0.89 0.00 0.00 0.00 175.76 171.79