#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 -5.12 0.00 0.03 0.00 -1.26 -4.71 120.64 109.57 1xdx n GLU 2 Ca 0.00 3.69 0.00 0.00 0.00 0.00 0.00 57.16 60.85 1xdx n GLU 2 Cb 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 31.44 27.28 1xdx n GLU 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xdx n GLY 3 N 1.76 2.13 3.71 8.31 0.00 -1.26 -5.03 105.19 114.81 1xdx n GLY 3 Ca 0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1xdx n GLY 3 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xdx n VAL 4 N 0.00 0.13 -3.91 1.61 0.31 -1.26 -4.94 118.33 110.27 1xdx n VAL 4 Ca 0.00 -0.02 -0.34 0.00 -0.01 0.00 0.00 64.34 63.97 1xdx n VAL 4 Cb 0.00 -2.06 -0.13 0.00 -0.91 0.00 0.00 33.84 30.74 1xdx n VAL 4 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xdx s ASP 5 N 1.74 4.93 -0.10 4.52 -1.08 -0.02 -5.01 116.67 121.65 1xdx s ASP 5 Ca 0.77 -1.76 -0.29 0.00 -0.52 0.00 0.00 52.55 50.75 1xdx s ASP 5 Cb -0.49 -1.71 -0.05 0.00 -1.46 0.00 0.00 42.92 39.21 1xdx s ASP 5 CO 0.34 -0.38 1.76 -2.16 0.52 0.00 0.00 175.17 175.25 1xdx s PRO 6 N 1.11 3.96 0.00 4.34 0.04 -1.23 -3.60 135.00 139.62 1xdx s PRO 6 Ca 0.03 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1xdx s PRO 6 Cb -0.21 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1xdx s PRO 6 CO -0.04 -1.12 0.00 0.00 0.04 0.00 0.00 177.00 175.88 1xdx n ALA 7 N 8.03 0.00 0.00 8.56 0.00 -0.04 -4.79 120.51 132.27 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 -3.28 0.00 0.31 -1.26 -3.78 118.33 110.32 1xdx n VAL 8 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 1xdx n VAL 8 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 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 0.00 3.69 -1.74 5.55 1.02 -1.26 -5.03 120.64 122.87 1xdx n GLU 9 Ca 0.00 -4.50 -0.42 0.00 -0.02 0.00 0.00 57.16 52.22 1xdx n GLU 9 Cb 0.00 -2.51 -0.03 0.00 -0.02 0.00 0.00 31.44 28.88 1xdx n GLU 9 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1xdx s GLU 10 N -1.79 4.12 0.07 3.49 -6.30 -1.26 -4.02 118.70 113.00 1xdx s GLU 10 Ca 0.31 2.51 -0.07 0.00 -2.50 0.00 0.00 54.97 55.22 1xdx s GLU 10 Cb -0.04 -4.13 -0.05 0.00 0.00 0.00 0.00 34.13 29.90 1xdx s GLU 10 CO -0.03 -0.97 0.34 0.00 0.02 0.00 0.00 175.26 174.62 1xdx s ALA 11 N 4.49 3.80 0.55 6.30 0.00 -1.26 -4.87 121.76 130.76 1xdx s ALA 11 Ca 0.86 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1xdx s ALA 11 Cb -0.40 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1xdx s ALA 11 CO 0.39 0.63 0.00 0.00 0.00 0.00 0.00 175.76 176.78 1xdx n ALA 12 N 0.73 -1.86 -2.33 0.00 0.00 -1.01 -4.12 120.51 111.92 1xdx n ALA 12 Ca -0.07 0.45 0.02 0.00 0.00 0.00 0.00 53.44 53.84 1xdx n ALA 12 Cb 0.52 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.34 0.00 -4.33 0.00 7.35 -1.26 -4.97 117.46 111.91 1xdx n PHE 13 Ca 0.00 -0.36 -0.23 0.00 -0.76 0.00 0.00 57.45 56.10 1xdx n PHE 13 Cb 0.40 -0.08 -0.12 0.00 0.35 0.00 0.00 39.48 40.03 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 0.00 1.84 -1.02 -2.13 1.01 -1.26 -4.84 120.40 114.01 1xdx s VAL 14 Ca 0.23 -1.78 -0.05 0.00 0.00 0.00 0.00 61.98 60.37 1xdx s VAL 14 Cb 0.26 -1.77 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 1xdx s VAL 14 CO -0.11 -0.18 0.90 0.00 0.00 0.00 0.00 175.10 175.70 1xdx n ALA 15 N 0.62 -2.49 0.17 5.51 0.00 -1.26 -4.72 120.51 118.34 1xdx n ALA 15 Ca -0.16 0.13 0.16 0.00 0.00 0.00 0.00 53.44 53.56 1xdx n ALA 15 Cb 0.55 -5.39 0.75 0.00 0.00 0.00 0.00 19.45 15.37 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 -0.93 0.00 -0.13 0.00 5.19 -1.98 -0.70 116.42 117.87 1xdx h ASP 16 Ca -0.55 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 55.90 1xdx h ASP 16 Cb 1.28 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.75 1xdx h ASP 16 CO 0.43 0.00 -0.09 0.44 -3.12 0.00 0.00 179.24 176.89 1xdx h ASP 17 N 0.00 -0.30 0.88 6.45 3.32 -2.01 -1.08 116.42 123.67 1xdx h ASP 17 Ca 0.10 0.07 -0.23 0.00 0.02 0.00 0.00 57.03 56.99 1xdx h ASP 17 Cb 0.47 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1xdx h ASP 17 CO -0.00 -0.13 -1.11 0.58 -1.72 0.00 0.00 179.24 176.86 1xdx h VAL 18 N -0.10 1.60 -0.89 -1.35 2.07 -1.78 -3.28 116.25 112.52 1xdx h VAL 18 Ca 0.08 -3.29 0.07 0.00 0.82 0.00 0.00 66.70 64.38 1xdx h VAL 18 Cb 0.22 2.83 -0.06 0.00 -1.52 0.00 0.00 31.29 32.76 1xdx h VAL 18 CO -0.19 0.92 0.55 -1.28 0.02 0.00 0.00 177.57 177.59 1xdx h SER 19 N 0.02 0.86 -0.34 0.57 0.87 -0.79 -2.26 113.55 112.48 1xdx h SER 19 Ca -0.06 0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.35 1xdx h SER 19 Cb 1.83 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 63.63 1xdx h SER 19 CO 0.14 0.54 -0.44 -0.55 -0.53 0.00 0.00 176.83 176.00 1xdx h ASN 20 N 0.99 0.97 0.10 6.23 7.08 -1.30 -2.89 115.58 126.77 1xdx h ASN 20 Ca 0.39 -0.49 0.02 0.00 -3.08 0.00 0.00 56.30 53.13 1xdx h ASN 20 Cb 0.20 -0.28 -0.03 0.00 -2.08 0.00 0.00 38.32 36.13 1xdx h ASN 20 CO -0.18 1.27 -0.21 0.40 -2.08 0.00 0.00 177.43 176.63 1xdx h ILE 21 N 0.70 0.53 -0.03 6.14 2.04 -1.48 0.60 117.51 126.01 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 1.04 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1xdx h ILE 21 CO 0.10 0.00 0.02 -0.29 0.00 0.00 0.00 178.15 177.98 1xdx h ILE 22 N -0.39 1.03 -0.16 -0.67 6.09 -1.49 0.80 117.51 122.72 1xdx h ILE 22 Ca 0.03 -0.07 -0.01 0.00 -1.37 0.00 0.00 64.86 63.44 1xdx h ILE 22 Cb 0.41 1.02 -0.01 0.00 0.47 0.00 0.00 36.82 38.72 1xdx h ILE 22 CO -0.12 0.02 0.06 0.11 -3.07 0.00 0.00 178.15 175.15 1xdx h LYS 23 N 0.02 0.23 -0.76 2.19 1.57 -1.38 -1.42 116.57 117.02 1xdx h LYS 23 Ca 0.01 -0.04 0.12 0.00 -1.87 0.00 0.00 60.65 58.86 1xdx h LYS 23 Cb 0.02 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 1xdx h LYS 23 CO -0.00 0.33 0.50 0.93 -0.57 0.00 0.00 179.45 180.64 1xdx h GLU 24 N 0.09 0.56 -0.20 3.15 5.08 0.32 -1.02 114.58 122.57 1xdx h GLU 24 Ca 0.05 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1xdx h GLU 24 Cb 0.18 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1xdx h GLU 24 CO -0.00 0.37 -0.03 0.77 -1.00 0.00 0.00 179.01 179.11 1xdx h SER 25 N 0.58 0.37 -0.64 1.42 0.02 -0.26 -2.87 113.55 112.17 1xdx h SER 25 Ca 0.36 -0.35 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1xdx h SER 25 Cb 0.62 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 1xdx h SER 25 CO -0.13 0.63 0.38 0.40 -1.14 0.00 0.00 176.83 176.97 1xdx h ILE 26 N 0.10 1.03 -0.96 3.27 5.03 -0.16 1.32 117.51 127.14 1xdx h ILE 26 Ca 0.05 -0.25 0.19 0.00 -0.12 0.00 0.00 64.86 64.74 1xdx h ILE 26 Cb 0.46 0.24 -0.08 0.00 -3.03 0.00 0.00 36.82 34.41 1xdx h ILE 26 CO 0.02 0.13 0.61 -0.78 -0.68 0.00 0.00 178.15 177.45 1xdx h ASP 27 N 0.72 0.60 0.07 1.72 1.82 -1.17 0.40 116.42 120.58 1xdx h ASP 27 Ca 0.27 0.06 -0.30 0.00 -0.39 0.00 0.00 57.03 56.68 1xdx h ASP 27 Cb 0.09 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.03 1xdx h ASP 27 CO -0.14 0.24 -1.60 0.00 -1.61 0.00 0.00 179.24 176.13 1xdx h ALA 28 N 1.62 0.33 0.00 -0.78 0.00 -0.93 -1.33 119.26 118.17 1xdx h ALA 28 Ca 0.52 -1.28 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1xdx h ALA 28 Cb 1.01 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1xdx h ALA 28 CO -0.27 0.98 0.00 0.28 0.00 0.00 0.00 179.25 180.25 1xdx n VAL 29 N -3.97 0.75 0.00 0.00 0.31 0.44 -1.11 118.33 114.76 1xdx n VAL 29 Ca -0.31 0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1xdx n VAL 29 Cb 0.86 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 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 -1.34 1.86 0.10 7.52 7.99 0.14 -4.70 117.00 128.57 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 0.12 0.00 0.40 0.00 -0.11 0.00 0.00 43.42 43.83 1xdx n LEU 30 CO 0.11 0.31 0.88 1.67 -1.51 0.00 0.00 177.39 178.84 1xdx n GLN 31 N -2.17 0.26 -0.65 3.23 7.27 -0.50 -3.98 117.38 120.84 1xdx n GLN 31 Ca 0.00 0.21 0.50 0.00 0.07 0.00 0.00 57.00 57.78 1xdx n GLN 31 Cb 0.41 -1.80 0.79 0.00 2.41 0.00 0.00 30.24 32.05 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 0.05 0.00 1.69 7.08 -1.28 -3.41 115.58 119.71 1xdx h ASN 32 Ca 0.00 0.04 0.00 0.00 -3.08 0.00 0.00 56.30 53.26 1xdx h ASN 32 Cb 0.74 0.04 0.00 0.00 -2.08 0.00 0.00 38.32 37.02 1xdx h ASN 32 CO 0.00 -0.07 0.00 1.67 -2.08 0.00 0.00 177.43 176.95 1xdx n GLN 33 N -4.15 0.00 -4.07 4.14 -0.06 -1.26 -5.13 117.38 106.85 1xdx n GLN 33 Ca 0.43 0.00 -0.18 0.00 -2.00 0.00 0.00 57.00 55.26 1xdx n GLN 33 Cb 1.90 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 28.02 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 0.46 -2.98 3.69 7.27 -1.26 -5.12 117.38 119.44 1xdx n GLN 34 Ca 0.00 -3.06 -0.43 0.00 0.07 0.00 0.00 57.00 53.58 1xdx n GLN 34 Cb 0.00 2.61 -0.05 0.00 2.41 0.00 0.00 30.24 35.20 1xdx n GLN 34 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1xdx s TYR 35 N -3.22 3.01 -0.05 3.69 5.04 -1.26 -4.91 117.35 119.65 1xdx s TYR 35 Ca 0.36 0.18 0.01 0.00 -2.44 0.00 0.00 57.07 55.18 1xdx s TYR 35 Cb 0.01 -3.61 0.02 0.00 0.35 0.00 0.00 41.96 38.74 1xdx s TYR 35 CO 0.25 -0.95 -0.06 -1.12 -1.34 0.00 0.00 175.55 172.34 1xdx s SER 36 N 2.09 1.13 0.25 4.32 0.01 -1.26 -5.04 113.70 115.20 1xdx s SER 36 Ca 0.29 -0.16 -0.06 0.00 1.31 0.00 0.00 55.95 57.33 1xdx s SER 36 Cb -0.12 -0.52 0.26 0.00 0.21 0.00 0.00 66.02 65.85 1xdx s SER 36 CO 0.22 -0.04 1.93 -0.08 0.41 0.00 0.00 173.24 175.67 1xdx h GLU 37 N 7.19 1.31 -0.24 12.44 4.57 -1.98 0.54 114.58 138.41 1xdx h GLU 37 Ca -0.36 -0.08 0.07 0.00 -1.18 0.00 0.00 59.36 57.81 1xdx h GLU 37 Cb 1.16 -0.30 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 1xdx h GLU 37 CO 0.46 0.87 0.19 0.00 -1.18 0.00 0.00 179.01 179.35 1xdx h ALA 38 N 1.37 2.14 0.00 2.92 0.00 -2.02 -0.88 119.26 122.79 1xdx h ALA 38 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1xdx h ALA 38 Cb -0.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xdx h ALA 38 CO -0.08 -0.31 -1.30 1.63 0.00 0.00 0.00 179.25 179.19 1xdx n LYS 39 N -4.30 0.74 -0.28 0.00 4.01 -0.55 -4.17 118.16 113.61 1xdx n LYS 39 Ca 0.03 -0.07 0.31 0.00 -0.51 0.00 0.00 58.31 58.07 1xdx n LYS 39 Cb 0.34 -1.41 0.71 0.00 -0.51 0.00 0.00 35.03 34.16 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 0.47 0.00 -0.18 2.07 0.15 0.99 116.25 119.75 1xdx h VAL 40 Ca 0.00 -0.02 -0.34 0.00 0.82 0.00 0.00 66.70 67.17 1xdx h VAL 40 Cb 0.62 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 1xdx h VAL 40 CO 0.00 0.01 -2.27 -1.20 0.02 0.00 0.00 177.57 174.13 1xdx n SER 41 N -4.26 1.31 0.08 0.57 7.64 -1.25 -4.28 113.62 113.43 1xdx n SER 41 Ca 0.23 -0.06 -0.04 0.00 1.01 0.00 0.00 58.87 60.02 1xdx n SER 41 Cb 1.10 0.35 0.17 0.00 -1.01 0.00 0.00 64.21 64.82 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 0.26 0.36 1.43 7.50 -1.43 -3.18 115.11 120.05 1xdx h GLN 42 Ca -0.50 -0.15 -0.02 0.00 0.50 0.00 0.00 58.65 58.48 1xdx h GLN 42 Cb 1.97 0.01 0.00 0.00 0.05 0.00 0.00 27.48 29.51 1xdx h GLN 42 CO -0.02 0.70 -0.17 -1.49 -1.50 0.00 0.00 178.83 176.35 1xdx h TRP 43 N 0.21 -0.45 -0.33 2.96 -0.00 0.76 -2.11 115.95 116.99 1xdx h TRP 43 Ca 0.01 -0.01 0.10 0.00 -0.00 0.00 0.00 58.89 58.99 1xdx h TRP 43 Cb 0.95 0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 30.25 1xdx h TRP 43 CO 0.02 -0.21 0.37 0.00 -0.00 0.00 0.00 178.44 178.62 1xdx h THR 44 N -0.60 0.39 -0.24 1.49 1.03 -1.74 1.12 112.91 114.37 1xdx h THR 44 Ca -0.05 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 66.16 1xdx h THR 44 Cb 0.44 0.70 0.00 0.00 -1.07 0.00 0.00 68.15 68.23 1xdx h THR 44 CO 0.08 0.00 -0.60 0.28 -0.01 0.00 0.00 175.52 175.27 1xdx h SER 45 N 0.00 0.95 -0.19 0.00 0.02 -1.42 0.05 113.55 112.95 1xdx h SER 45 Ca 0.16 -0.56 -0.07 0.00 -0.84 0.00 0.00 61.79 60.47 1xdx h SER 45 Cb 0.90 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 1xdx h SER 45 CO -0.00 1.34 -0.11 0.28 -1.14 0.00 0.00 176.83 177.20 1xdx h SER 46 N 0.60 0.54 -0.44 3.07 0.02 0.16 -1.53 113.55 115.97 1xdx h SER 46 Ca -0.01 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1xdx h SER 46 Cb 1.22 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 1xdx h SER 46 CO 0.13 0.69 0.29 0.00 -1.14 0.00 0.00 176.83 176.80 1xdx h LEU 48 N 0.60 0.78 -0.13 0.00 4.07 -0.13 1.49 115.31 121.98 1xdx h LEU 48 Ca 0.16 -0.01 -0.22 0.00 0.08 0.00 0.00 57.88 57.89 1xdx h LEU 48 Cb -0.06 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.49 1xdx h LEU 48 CO -0.03 0.53 -0.99 -0.08 -1.08 0.00 0.00 178.44 176.79 1xdx h GLU 49 N 0.91 0.22 -0.04 1.13 4.81 -0.34 0.37 114.58 121.63 1xdx h GLU 49 Ca 0.31 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1xdx h GLU 49 Cb 0.11 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1xdx h GLU 49 CO -0.10 1.04 0.00 0.72 -0.73 0.00 0.00 179.01 179.95 1xdx n HIS 50 N -3.60 0.04 -0.08 0.92 8.25 0.29 -1.46 115.22 119.59 1xdx n HIS 50 Ca -0.05 -0.02 -0.12 0.00 -0.26 0.00 0.00 57.72 57.28 1xdx n HIS 50 Cb 0.88 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.92 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 -0.11 1.32 -0.49 0.00 -0.00 -0.97 -1.14 117.51 116.12 1xdx h ILE 52 Ca -0.35 -1.15 0.05 0.00 -0.00 0.00 0.00 64.86 63.41 1xdx h ILE 52 Cb 1.48 1.75 -0.03 0.00 -0.00 0.00 0.00 36.82 40.02 1xdx h ILE 52 CO -0.09 0.34 0.33 0.11 -0.00 0.00 0.00 178.15 178.83 1xdx h LYS 53 N -0.01 0.45 -0.03 2.19 6.56 -1.47 -1.12 116.57 123.14 1xdx h LYS 53 Ca 0.03 -0.03 -0.16 0.00 -1.06 0.00 0.00 60.65 59.43 1xdx h LYS 53 Cb 0.57 -0.10 0.01 0.00 -0.57 0.00 0.00 32.23 32.14 1xdx h LYS 53 CO 0.02 0.30 -0.62 -0.09 -2.06 0.00 0.00 179.45 177.01 1xdx h ARG 54 N 0.47 0.48 -0.35 3.15 1.12 -1.69 -2.73 114.38 114.82 1xdx h ARG 54 Ca 0.21 -0.47 0.06 0.00 -1.11 0.00 0.00 59.98 58.66 1xdx h ARG 54 Cb 0.23 0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.29 1xdx h ARG 54 CO -0.05 1.11 0.24 -0.07 -3.11 0.00 0.00 179.97 178.09 1xdx h LEU 55 N 0.02 0.20 -0.52 3.80 3.38 -0.47 0.15 115.31 121.87 1xdx h LEU 55 Ca -0.07 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 1xdx h LEU 55 Cb 1.30 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1xdx h LEU 55 CO 0.12 0.13 -0.63 0.71 0.09 0.00 0.00 178.44 178.86 1xdx h THR 56 N 0.23 1.36 -0.68 0.22 1.35 -1.19 0.19 112.91 114.39 1xdx h THR 56 Ca 0.15 -1.98 -0.04 0.00 -0.55 0.00 0.00 66.41 63.99 1xdx h THR 56 Cb 0.32 1.97 -0.03 0.00 -1.73 0.00 0.00 68.15 68.68 1xdx h THR 56 CO -0.03 0.60 0.27 0.00 -0.25 0.00 0.00 175.52 176.11 1xdx h ALA 57 N 1.03 0.88 0.00 6.62 0.00 -0.45 -2.42 119.26 124.93 1xdx h ALA 57 Ca -0.01 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1xdx h ALA 57 Cb 1.18 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1xdx h ALA 57 CO 0.11 0.50 -0.71 -0.07 0.00 0.00 0.00 179.25 179.08 1xdx h LEU 58 N 0.97 0.00 -3.42 0.00 -0.00 -1.09 -3.49 115.31 108.29 1xdx h LEU 58 Ca 0.23 0.00 -0.37 0.00 -0.00 0.00 0.00 57.88 57.74 1xdx h LEU 58 Cb 0.21 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.87 1xdx h LEU 58 CO -0.02 0.71 -0.95 -0.46 -0.00 0.00 0.00 178.44 177.72 1xdx n ASN 59 N -3.42 -5.63 -3.35 -0.43 6.94 0.64 -5.01 115.26 105.01 1xdx n ASN 59 Ca 0.00 -0.51 0.03 0.00 -0.02 0.00 0.00 54.58 54.08 1xdx n ASN 59 Cb 0.77 -2.38 -0.05 0.00 -2.36 0.00 0.00 39.78 35.76 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 -3.81 0.07 0.00 -3.83 2.47 -1.26 -4.91 119.74 108.48 1xdx s LYS 60 Ca 0.13 0.17 0.00 0.00 -1.56 0.00 0.00 55.97 54.71 1xdx s LYS 60 Cb -0.02 0.08 0.00 0.00 -1.46 0.00 0.00 37.83 36.43 1xdx s LYS 60 CO 0.86 -0.02 0.04 -2.30 0.16 0.00 0.00 175.35 174.09 1xdx n PRO 61 N 4.16 0.00 0.07 4.03 -0.02 -1.26 -5.02 135.00 136.96 1xdx n PRO 61 Ca -0.10 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1xdx n PRO 61 Cb 0.56 -0.84 0.00 0.00 -0.02 0.00 0.00 33.50 33.20 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 -1.43 -1.54 -3.45 6.00 3.01 -1.23 -5.06 117.46 113.75 1xdx n PHE 62 Ca 0.00 0.29 -0.40 0.00 1.01 0.00 0.00 57.45 58.36 1xdx n PHE 62 Cb 0.00 0.81 -0.10 0.00 -0.01 0.00 0.00 39.48 40.19 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 -1.42 3.78 -0.04 -1.08 2.36 -1.19 -5.03 119.74 117.12 1xdx s LYS 63 Ca 0.00 -0.28 0.06 0.00 -2.55 0.00 0.00 55.97 53.21 1xdx s LYS 63 Cb 0.00 -3.73 -0.02 0.00 -1.05 0.00 0.00 37.83 33.03 1xdx s LYS 63 CO 0.00 -0.36 -0.21 0.71 1.55 0.00 0.00 175.35 177.03 1xdx s TYR 64 N 1.95 2.49 -0.09 4.03 2.02 -1.26 -0.72 117.35 125.76 1xdx s TYR 64 Ca 0.11 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.44 1xdx s TYR 64 Cb -0.16 -1.56 -0.03 0.00 -0.40 0.00 0.00 41.96 39.80 1xdx s TYR 64 CO 0.11 0.02 -0.05 0.08 -1.57 0.00 0.00 175.55 174.14 1xdx s VAL 65 N -0.59 3.81 -0.23 0.71 1.01 0.69 -4.94 120.40 120.86 1xdx s VAL 65 Ca 0.09 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1xdx s VAL 65 Cb -0.11 -2.60 0.07 0.00 0.00 0.00 0.00 36.38 33.75 1xdx s VAL 65 CO 0.00 0.57 0.04 -0.69 0.00 0.00 0.00 175.10 175.03 1xdx s VAL 66 N -0.48 0.67 0.07 2.92 1.01 -1.26 -0.93 120.40 122.40 1xdx s VAL 66 Ca 0.07 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1xdx s VAL 66 Cb -0.12 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1xdx s VAL 66 CO 0.02 -0.32 -0.09 0.28 0.00 0.00 0.00 175.10 174.99 1xdx s THR 67 N 1.77 0.73 0.03 3.92 -1.32 -0.50 -4.93 115.64 115.35 1xdx s THR 67 Ca 0.01 -1.47 -0.08 0.00 -1.21 0.00 0.00 61.69 58.94 1xdx s THR 67 Cb -0.17 -1.12 -0.00 0.00 -1.51 0.00 0.00 72.50 69.69 1xdx s THR 67 CO -0.13 -0.54 0.16 0.00 -2.21 0.00 0.00 174.62 171.90 1xdx s ILE 69 N -2.41 0.08 -0.06 0.00 1.01 0.18 -4.98 121.20 115.02 1xdx s ILE 69 Ca -0.06 0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.79 1xdx s ILE 69 Cb -0.02 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 1xdx s ILE 69 CO -0.03 0.17 0.08 0.27 0.00 0.00 0.00 174.94 175.42 1xdx s ILE 70 N 1.58 4.85 -0.51 2.92 -5.25 -1.26 -0.28 121.20 123.24 1xdx s ILE 70 Ca -0.02 -0.18 -0.07 0.00 -0.99 0.00 0.00 60.65 59.39 1xdx s ILE 70 Cb -0.13 -3.14 0.13 0.00 2.95 0.00 0.00 42.46 42.28 1xdx s ILE 70 CO -0.03 0.50 0.36 -0.04 -1.79 0.00 0.00 174.94 173.94 1xdx s MET 71 N -1.30 2.46 0.69 0.37 -1.94 0.22 -4.97 119.30 114.83 1xdx s MET 71 Ca 0.18 -1.99 -0.16 0.00 -1.71 0.00 0.00 55.69 52.00 1xdx s MET 71 Cb -0.12 -3.84 -0.02 0.00 2.01 0.00 0.00 34.83 32.87 1xdx s MET 71 CO 0.08 -1.17 0.84 0.94 -0.01 0.00 0.00 175.02 175.70 1xdx n GLN 72 N 4.46 0.53 -2.42 2.03 7.27 -1.26 -1.65 117.38 126.34 1xdx n GLN 72 Ca -0.02 0.23 -0.43 0.00 0.07 0.00 0.00 57.00 56.85 1xdx n GLN 72 Cb 0.41 -2.09 0.00 0.00 2.41 0.00 0.00 30.24 30.96 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 -1.36 3.24 -1.03 3.69 3.00 -1.26 -4.22 118.16 120.23 1xdx n LYS 73 Ca 0.12 -3.31 -0.05 0.00 -0.00 0.00 0.00 58.31 55.07 1xdx n LYS 73 Cb 0.49 -3.22 -0.04 0.00 0.00 0.00 0.00 35.03 32.26 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 6.27 -0.82 -2.25 3.14 6.94 -1.26 -4.98 115.26 122.29 1xdx n ASN 74 Ca 0.45 -1.61 -0.18 0.00 -0.02 0.00 0.00 54.58 53.22 1xdx n ASN 74 Cb 0.42 0.26 -0.02 0.00 -2.36 0.00 0.00 39.78 38.08 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 -0.11 -0.09 3.77 4.83 0.00 -1.26 -4.92 105.19 107.41 1xdx n GLY 75 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.85 3.51 -0.24 4.61 0.00 -1.26 -5.01 121.76 120.51 1xdx s ALA 76 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1xdx s ALA 76 Cb 0.00 -3.52 0.07 0.00 0.00 0.00 0.00 23.12 19.67 1xdx s ALA 76 CO 0.00 -0.78 -0.02 0.20 0.00 0.00 0.00 175.76 175.16 1xdx s GLY 77 N -0.39 1.23 -0.33 0.00 0.00 -1.26 -4.95 107.32 101.62 1xdx s GLY 77 Ca 0.50 -1.38 -0.01 0.00 0.00 0.00 0.00 44.72 43.83 1xdx s GLY 77 CO 0.56 1.07 0.17 -2.27 0.00 0.00 0.00 173.10 172.63 1xdx s LEU 78 N 1.45 1.02 -0.22 0.66 0.20 -1.26 -5.11 118.68 115.41 1xdx s LEU 78 Ca -0.02 -1.83 -0.26 0.00 0.69 0.00 0.00 54.13 52.70 1xdx s LEU 78 Cb -0.18 -0.46 -0.00 0.00 -0.43 0.00 0.00 46.19 45.12 1xdx s LEU 78 CO -0.08 -0.36 0.88 -1.00 -0.29 0.00 0.00 176.35 175.49 1xdx s HIS 79 N 1.46 3.35 0.20 5.38 3.76 -1.26 -5.05 115.29 123.13 1xdx s HIS 79 Ca 0.14 1.24 -0.02 0.00 -0.15 0.00 0.00 55.06 56.27 1xdx s HIS 79 Cb -0.20 -3.09 -0.05 0.00 1.11 0.00 0.00 32.58 30.35 1xdx s HIS 79 CO -0.15 -0.38 0.41 0.99 -0.85 0.00 0.00 174.74 174.76 1xdx s THR 80 N 2.74 5.17 0.03 1.30 2.01 -1.26 -5.11 115.64 120.53 1xdx s THR 80 Ca 0.38 -0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.19 1xdx s THR 80 Cb -0.16 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 1xdx s THR 80 CO 0.08 -0.15 -0.12 0.00 -0.69 0.00 0.00 174.62 173.74 1xdx s ALA 81 N -1.86 1.02 -0.26 7.40 0.00 -1.26 -5.15 121.76 121.65 1xdx s ALA 81 Ca 0.40 -0.74 -0.22 0.00 0.00 0.00 0.00 51.96 51.40 1xdx s ALA 81 Cb -0.11 -0.16 0.07 0.00 0.00 0.00 0.00 23.12 22.92 1xdx s ALA 81 CO 0.28 0.18 0.68 0.00 0.00 0.00 0.00 175.76 176.91 1xdx s ALA 82 N -0.79 -1.74 -0.12 0.00 0.00 -1.26 -5.14 121.76 112.71 1xdx s ALA 82 Ca 0.01 2.06 -0.04 0.00 0.00 0.00 0.00 51.96 53.99 1xdx s ALA 82 Cb -0.07 -1.20 0.06 0.00 0.00 0.00 0.00 23.12 21.90 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 0.72 1.01 0.24 0.00 0.15 -1.26 -5.16 113.70 109.39 1xdx s SER 83 Ca -0.03 0.15 0.06 0.00 0.70 0.00 0.00 55.95 56.83 1xdx s SER 83 Cb -0.05 0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 1xdx s SER 83 CO -0.05 -0.27 0.22 0.00 1.20 0.00 0.00 173.24 174.34 1xdx n TRP 85 N -1.10 -3.94 -3.13 0.00 -0.00 -1.26 -5.03 117.44 102.99 1xdx n TRP 85 Ca -0.08 -1.02 -0.39 0.00 -0.00 0.00 0.00 57.50 56.01 1xdx n TRP 85 Cb 0.57 -0.98 -0.06 0.00 -0.00 0.00 0.00 31.31 30.85 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 -3.36 3.79 0.00 5.87 0.52 -1.26 -5.02 118.94 119.48 1xdx s TRP 86 Ca 0.68 1.38 0.00 0.00 0.02 0.00 0.00 56.10 58.17 1xdx s TRP 86 Cb -0.03 -2.65 0.00 0.00 -1.15 0.00 0.00 33.47 29.63 1xdx s TRP 86 CO 0.49 0.45 0.00 -3.47 0.02 0.00 0.00 176.95 174.44 1xdx n ASP 87 N 2.16 0.00 0.22 2.95 -0.08 -1.26 -5.03 116.55 115.51 1xdx n ASP 87 Ca -0.07 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.28 1xdx n ASP 87 Cb 0.50 0.00 0.60 0.00 2.34 0.00 0.00 41.12 44.56 1xdx n ASP 87 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1xdx h SER 88 N 0.00 0.06 -0.06 1.67 4.64 -1.96 -2.56 113.55 115.35 1xdx h SER 88 Ca 0.00 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1xdx h SER 88 Cb 0.00 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1xdx h SER 88 CO 0.00 0.06 -0.02 0.00 -0.87 0.00 0.00 176.83 176.00 1xdx h THR 89 N 0.07 1.30 -2.06 2.95 1.03 -1.97 -3.26 112.91 110.97 1xdx h THR 89 Ca 0.02 -0.95 -0.79 0.00 -0.01 0.00 0.00 66.41 64.68 1xdx h THR 89 Cb 0.02 1.83 -0.25 0.00 -1.07 0.00 0.00 68.15 68.68 1xdx h THR 89 CO -0.00 0.26 1.17 0.35 -0.01 0.00 0.00 175.52 177.29 1xdx n THR 90 N -4.82 5.54 -3.98 0.00 -2.24 -0.98 0.88 114.28 108.68 1xdx n THR 90 Ca -0.07 -5.46 -0.21 0.00 -2.27 0.00 0.00 64.05 56.03 1xdx n THR 90 Cb 0.23 -1.55 -0.17 0.00 -2.10 0.00 0.00 70.33 66.74 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 -1.08 1.27 0.00 3.42 2.15 -1.14 -4.82 116.67 116.47 1xdx s ASP 91 Ca 0.43 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.29 1xdx s ASP 91 Cb 0.24 -0.47 0.00 0.00 -0.30 0.00 0.00 42.92 42.39 1xdx s ASP 91 CO -0.18 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 1xdx n GLY 92 N 4.54 -1.84 2.35 2.66 0.00 -1.26 -4.60 105.19 107.04 1xdx n GLY 92 Ca -0.17 0.48 -0.01 0.00 0.00 0.00 0.00 46.02 46.33 1xdx n GLY 92 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xdx n SER 93 N -2.02 -4.60 -3.55 1.61 2.88 -1.26 -4.86 113.62 101.84 1xdx n SER 93 Ca 0.00 1.37 -0.29 0.00 -1.33 0.00 0.00 58.87 58.62 1xdx n SER 93 Cb 0.00 -3.38 -0.15 0.00 -0.75 0.00 0.00 64.21 59.93 1xdx n SER 93 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1xdx s ARG 94 N -0.31 0.21 0.22 -1.46 1.81 0.71 -4.95 118.95 115.18 1xdx s ARG 94 Ca -0.04 -0.55 -0.08 0.00 -1.72 0.00 0.00 55.73 53.34 1xdx s ARG 94 Cb 0.00 -1.20 -0.07 0.00 -0.45 0.00 0.00 34.95 33.24 1xdx s ARG 94 CO 0.10 -1.02 0.52 -0.08 -0.68 0.00 0.00 175.30 174.14 1xdx s THR 95 N 2.08 4.98 0.03 0.02 -1.32 -1.26 -0.07 115.64 120.10 1xdx s THR 95 Ca 0.09 0.35 0.03 0.00 -1.21 0.00 0.00 61.69 60.96 1xdx s THR 95 Cb -0.16 -3.63 -0.02 0.00 -1.51 0.00 0.00 72.50 67.18 1xdx s THR 95 CO -0.36 -0.08 -0.10 -0.69 -2.21 0.00 0.00 174.62 171.17 1xdx s VAL 96 N -1.82 0.78 -0.27 5.08 1.01 0.11 -2.40 120.40 122.88 1xdx s VAL 96 Ca 0.46 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1xdx s VAL 96 Cb -0.11 -0.73 0.05 0.00 0.00 0.00 0.00 36.38 35.59 1xdx s VAL 96 CO 0.23 -0.07 -0.07 -0.60 0.00 0.00 0.00 175.10 174.58 1xdx s ARG 97 N -1.01 2.37 -0.10 2.72 6.06 -1.26 -0.03 118.95 127.70 1xdx s ARG 97 Ca -0.02 -1.28 -0.08 0.00 -2.50 0.00 0.00 55.73 51.85 1xdx s ARG 97 Cb -0.07 -2.99 -0.04 0.00 0.06 0.00 0.00 34.95 31.91 1xdx s ARG 97 CO 0.01 -0.57 0.19 -1.58 -2.50 0.00 0.00 175.30 170.85 1xdx s TRP 98 N 1.17 3.63 -0.03 5.12 0.23 0.14 -4.42 118.94 124.77 1xdx s TRP 98 Ca -0.07 0.62 -0.11 0.00 -2.03 0.00 0.00 56.10 54.52 1xdx s TRP 98 Cb -0.19 -2.01 0.02 0.00 0.03 0.00 0.00 33.47 31.31 1xdx s TRP 98 CO -0.04 0.72 0.24 -1.21 0.96 0.00 0.00 176.95 177.62 1xdx s GLU 99 N -1.04 0.50 0.14 4.98 2.02 -1.25 0.06 118.70 124.13 1xdx s GLU 99 Ca 0.17 -0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.05 1xdx s GLU 99 Cb -0.13 0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.32 1xdx s GLU 99 CO 0.06 -0.12 0.00 0.27 0.02 0.00 0.00 175.26 175.49 1xdx n ASN 100 N 1.80 0.61 0.00 -0.19 6.94 -1.24 -0.86 115.26 122.32 1xdx n ASN 100 Ca -0.19 0.23 0.00 0.00 -0.02 0.00 0.00 54.58 54.59 1xdx n ASN 100 Cb 0.56 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 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 -3.41 0.00 -0.02 -3.83 0.00 -1.26 -0.84 118.16 108.80 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 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.07 1xdx n LYS 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1xdx h SER 102 N 0.00 0.00 -4.92 3.14 0.87 -1.98 -3.50 113.55 107.16 1xdx h SER 102 Ca 0.00 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.94 1xdx h SER 102 Cb 0.00 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 61.84 1xdx h SER 102 CO 0.00 0.22 -0.46 1.15 -0.53 0.00 0.00 176.83 177.22 1xdx n MET 103 N -3.21 0.80 -4.45 2.24 0.00 -1.26 -4.30 117.12 106.94 1xdx n MET 103 Ca -0.00 -3.51 -0.24 0.00 0.00 0.00 0.00 57.70 53.94 1xdx n MET 103 Cb 0.01 1.04 -0.10 0.00 0.00 0.00 0.00 33.22 34.17 1xdx n MET 103 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1xdx s TYR 104 N -2.78 2.39 -0.27 3.17 2.02 -0.66 -3.83 117.35 117.39 1xdx s TYR 104 Ca 0.02 -0.37 -0.02 0.00 -0.37 0.00 0.00 57.07 56.34 1xdx s TYR 104 Cb 0.00 -1.15 0.12 0.00 -0.40 0.00 0.00 41.96 40.53 1xdx s TYR 104 CO 0.02 0.65 0.25 0.00 -1.57 0.00 0.00 175.55 174.90 1xdx s ILE 106 N 2.31 5.15 -0.17 0.00 2.07 0.62 0.24 121.20 131.42 1xdx s ILE 106 Ca 0.09 0.32 0.01 0.00 -1.41 0.00 0.00 60.65 59.65 1xdx s ILE 106 Cb -0.15 -3.79 0.01 0.00 0.13 0.00 0.00 42.46 38.67 1xdx s ILE 106 CO -0.28 0.00 -0.18 0.00 -1.91 0.00 0.00 174.94 172.57 1xdx s THR 108 N 1.15 3.15 -0.09 0.00 -1.32 0.14 0.07 115.64 118.74 1xdx s THR 108 Ca 0.01 -1.14 0.01 0.00 -1.21 0.00 0.00 61.69 59.36 1xdx s THR 108 Cb -0.14 -2.39 0.02 0.00 -1.51 0.00 0.00 72.50 68.48 1xdx s THR 108 CO -0.08 0.27 -0.10 -0.69 -2.21 0.00 0.00 174.62 171.81 1xdx s VAL 109 N -1.04 1.12 -0.46 5.08 1.01 0.90 -1.41 120.40 125.61 1xdx s VAL 109 Ca 0.17 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 1xdx s VAL 109 Cb -0.11 -1.08 0.11 0.00 0.00 0.00 0.00 36.38 35.30 1xdx s VAL 109 CO 0.09 0.37 0.33 -0.36 0.00 0.00 0.00 175.10 175.53 1xdx s PHE 110 N 1.22 3.38 -0.79 5.22 0.40 -0.10 -0.21 117.98 127.10 1xdx s PHE 110 Ca -0.04 -1.70 -0.22 0.00 -0.60 0.00 0.00 56.93 54.37 1xdx s PHE 110 Cb -0.14 -3.35 0.08 0.00 0.51 0.00 0.00 43.02 40.12 1xdx s PHE 110 CO -0.03 -0.95 1.12 0.20 0.70 0.00 0.00 175.22 176.26 1xdx s GLY 111 N 2.58 1.45 -0.14 4.36 0.00 -1.26 -0.22 107.32 114.08 1xdx s GLY 111 Ca 0.05 -2.10 -0.23 0.00 0.00 0.00 0.00 44.72 42.44 1xdx s GLY 111 CO 0.01 2.21 0.69 1.08 0.00 0.00 0.00 173.10 177.09 1xdx s LEU 112 N 4.02 4.22 0.10 0.66 1.02 0.10 -4.01 118.68 124.79 1xdx s LEU 112 Ca 0.30 1.04 -0.22 0.00 0.02 0.00 0.00 54.13 55.27 1xdx s LEU 112 Cb -0.10 -3.03 -0.13 0.00 0.02 0.00 0.00 46.19 42.95 1xdx s LEU 112 CO 0.03 -0.23 1.75 0.00 0.02 0.00 0.00 176.35 177.92 1xdx h ALA 113 N 7.13 0.06 0.00 4.21 0.00 0.23 -3.15 119.26 127.75 1xdx h ALA 113 Ca -0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xdx h ALA 113 Cb 1.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xdx h ALA 113 CO 0.78 -0.44 0.00 -0.89 0.00 0.00 0.00 179.25 178.70