#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 3.28 0.00 3.17 2.12 -1.26 -4.36 118.70 121.65 1xdx s GLU 2 Ca 0.00 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.56 1xdx s GLU 2 Cb 0.00 -3.66 0.00 0.00 0.26 0.00 0.00 34.13 30.73 1xdx s GLU 2 CO 0.00 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 174.65 1xdx n GLY 3 N 5.02 1.11 3.65 -1.50 0.00 -1.26 -5.10 105.19 107.11 1xdx n GLY 3 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.59 3.97 -0.43 1.61 1.01 -1.26 -4.85 120.40 119.85 1xdx s VAL 4 Ca 0.00 1.15 -0.06 0.00 0.00 0.00 0.00 61.98 63.07 1xdx s VAL 4 Cb 0.00 -3.83 0.11 0.00 0.00 0.00 0.00 36.38 32.65 1xdx s VAL 4 CO 0.00 -0.21 0.26 -0.62 0.00 0.00 0.00 175.10 174.54 1xdx s ASP 5 N 2.91 5.47 -0.01 3.32 -1.08 0.35 -5.01 116.67 122.63 1xdx s ASP 5 Ca 0.63 -1.91 -0.30 0.00 -0.52 0.00 0.00 52.55 50.45 1xdx s ASP 5 Cb -0.24 -1.92 -0.07 0.00 -1.46 0.00 0.00 42.92 39.23 1xdx s ASP 5 CO 0.22 -0.60 1.66 -2.84 0.52 0.00 0.00 175.17 174.13 1xdx s PRO 6 N 1.26 4.19 0.00 4.34 0.02 -1.22 -3.46 135.00 140.14 1xdx s PRO 6 Ca 0.06 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.33 1xdx s PRO 6 Cb -0.24 -3.85 0.00 0.00 0.02 0.00 0.00 34.50 30.43 1xdx s PRO 6 CO -0.02 -0.80 0.00 0.00 -0.33 0.00 0.00 177.00 175.85 1xdx n ALA 7 N 6.55 0.00 0.00 -1.55 0.00 0.72 -4.79 120.51 121.44 1xdx n ALA 7 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1xdx n ALA 7 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -3.76 0.00 0.31 -1.26 -3.65 118.33 109.97 1xdx n VAL 8 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 1xdx n VAL 8 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 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 2.40 -0.12 5.55 0.41 -1.26 -5.07 118.70 120.61 1xdx s GLU 9 Ca 0.00 -2.43 -0.29 0.00 -0.41 0.00 0.00 54.97 51.83 1xdx s GLU 9 Cb 0.00 -3.65 -0.02 0.00 -1.78 0.00 0.00 34.13 28.68 1xdx s GLU 9 CO 0.00 -1.15 1.24 -2.00 -0.49 0.00 0.00 175.26 172.86 1xdx s GLU 10 N 0.09 4.28 0.41 1.61 2.56 -1.26 -4.17 118.70 122.21 1xdx s GLU 10 Ca 0.16 1.67 0.00 0.00 0.00 0.00 0.00 54.97 56.80 1xdx s GLU 10 Cb -0.21 -3.68 -0.02 0.00 2.00 0.00 0.00 34.13 32.22 1xdx s GLU 10 CO -0.03 -0.61 0.62 0.00 -0.56 0.00 0.00 175.26 174.68 1xdx s ALA 11 N 2.99 3.73 0.27 6.30 0.00 -1.26 -4.90 121.76 128.89 1xdx s ALA 11 Ca 0.55 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1xdx s ALA 11 Cb -0.23 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.75 1xdx s ALA 11 CO 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 175.76 175.72 1xdx n ALA 12 N -1.96 -2.16 -0.03 0.00 0.00 -0.56 -4.40 120.51 111.40 1xdx n ALA 12 Ca -0.01 0.42 -0.02 0.00 0.00 0.00 0.00 53.44 53.83 1xdx n ALA 12 Cb 0.57 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 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 0.97 0.00 -2.55 0.00 7.35 -1.26 -4.98 117.46 117.00 1xdx n PHE 13 Ca 0.00 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.41 1xdx n PHE 13 Cb 0.00 -0.40 -0.00 0.00 0.35 0.00 0.00 39.48 39.43 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 -2.35 4.86 -1.04 -2.13 1.01 -1.26 -4.38 120.40 115.12 1xdx s VAL 14 Ca -0.04 0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 1xdx s VAL 14 Cb 0.04 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1xdx s VAL 14 CO 0.39 -0.85 0.88 0.00 0.00 0.00 0.00 175.10 175.51 1xdx n ALA 15 N -2.21 -1.98 0.08 5.51 0.00 -1.26 -4.81 120.51 115.83 1xdx n ALA 15 Ca 0.02 0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.53 1xdx n ALA 15 Cb 0.55 -3.26 0.52 0.00 0.00 0.00 0.00 19.45 17.25 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 -1.47 0.28 -0.78 0.00 1.82 -1.96 -0.43 116.42 113.88 1xdx h ASP 16 Ca -0.54 -0.01 0.07 0.00 -0.39 0.00 0.00 57.03 56.17 1xdx h ASP 16 Cb 1.30 -0.07 -0.06 0.00 0.68 0.00 0.00 39.33 41.18 1xdx h ASP 16 CO 0.43 0.20 0.45 0.44 -1.61 0.00 0.00 179.24 179.16 1xdx h ASP 17 N 0.33 0.68 0.77 2.28 3.32 -1.97 -1.30 116.42 120.53 1xdx h ASP 17 Ca 0.12 0.03 -0.25 0.00 0.02 0.00 0.00 57.03 56.95 1xdx h ASP 17 Cb 0.06 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1xdx h ASP 17 CO -0.03 0.42 -1.22 0.58 -1.72 0.00 0.00 179.24 177.28 1xdx h VAL 18 N 0.81 1.49 -0.64 -1.35 2.07 -1.72 -3.29 116.25 113.61 1xdx h VAL 18 Ca 0.36 -3.16 0.05 0.00 0.82 0.00 0.00 66.70 64.76 1xdx h VAL 18 Cb 0.24 2.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.78 1xdx h VAL 18 CO -0.20 0.88 0.37 -1.28 0.02 0.00 0.00 177.57 177.36 1xdx h SER 19 N 0.03 0.57 -0.22 0.57 0.87 -0.36 -2.20 113.55 112.80 1xdx h SER 19 Ca -0.11 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.37 1xdx h SER 19 Cb 1.89 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.74 1xdx h SER 19 CO 0.15 0.38 -0.21 -0.55 -0.53 0.00 0.00 176.83 176.06 1xdx h ASN 20 N 0.70 0.68 -0.04 6.23 7.08 -1.38 -2.85 115.58 126.01 1xdx h ASN 20 Ca 0.28 -0.23 0.03 0.00 -3.08 0.00 0.00 56.30 53.29 1xdx h ASN 20 Cb 0.12 -0.19 -0.03 0.00 -2.08 0.00 0.00 38.32 36.14 1xdx h ASN 20 CO -0.15 0.89 -0.13 0.40 -2.08 0.00 0.00 177.43 176.36 1xdx h ILE 21 N 0.60 0.67 -0.16 6.14 2.04 -1.48 0.61 117.51 125.93 1xdx h ILE 21 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1xdx h ILE 21 Cb 0.69 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1xdx h ILE 21 CO 0.05 0.00 0.06 0.16 0.00 0.00 0.00 178.15 178.42 1xdx h ILE 22 N -0.20 1.17 0.36 -0.67 -0.00 -1.45 -1.50 117.51 115.21 1xdx h ILE 22 Ca 0.06 -0.51 -0.01 0.00 -0.00 0.00 0.00 64.86 64.40 1xdx h ILE 22 Cb 0.28 1.20 -0.00 0.00 -0.00 0.00 0.00 36.82 38.30 1xdx h ILE 22 CO -0.16 0.16 -0.22 0.11 -0.00 0.00 0.00 178.15 178.04 1xdx h LYS 23 N 0.10 -0.53 -0.96 0.16 1.57 -1.36 0.15 116.57 115.69 1xdx h LYS 23 Ca 0.05 0.04 0.23 0.00 -1.87 0.00 0.00 60.65 59.10 1xdx h LYS 23 Cb 0.19 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 1xdx h LYS 23 CO -0.00 -0.36 0.64 0.93 -0.57 0.00 0.00 179.45 180.09 1xdx h GLU 24 N -0.55 0.34 -0.08 3.15 3.07 -0.87 0.35 114.58 119.98 1xdx h GLU 24 Ca -0.04 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.72 1xdx h GLU 24 Cb 0.46 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1xdx h GLU 24 CO 0.04 0.23 -0.26 1.03 -1.40 0.00 0.00 179.01 178.65 1xdx h SER 25 N 0.35 0.37 -0.96 1.42 0.87 -0.16 -3.11 113.55 112.32 1xdx h SER 25 Ca 0.51 -0.61 0.03 0.00 -1.23 0.00 0.00 61.79 60.49 1xdx h SER 25 Cb 1.37 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 63.17 1xdx h SER 25 CO -0.19 0.91 0.63 0.40 -0.53 0.00 0.00 176.83 178.05 1xdx h ILE 26 N -0.16 1.17 -1.00 2.23 5.03 0.12 1.49 117.51 126.39 1xdx h ILE 26 Ca -0.01 -0.42 0.20 0.00 -0.12 0.00 0.00 64.86 64.51 1xdx h ILE 26 Cb 0.88 -0.16 -0.10 0.00 -3.03 0.00 0.00 36.82 34.41 1xdx h ILE 26 CO 0.05 0.22 0.61 -0.78 -0.68 0.00 0.00 178.15 177.58 1xdx h ASP 27 N 1.23 0.71 0.07 1.72 1.82 -1.03 0.67 116.42 121.61 1xdx h ASP 27 Ca 0.38 0.09 -0.30 0.00 -0.39 0.00 0.00 57.03 56.81 1xdx h ASP 27 Cb -0.01 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 39.94 1xdx h ASP 27 CO -0.12 0.24 -1.64 0.00 -1.61 0.00 0.00 179.24 176.11 1xdx h ALA 28 N 1.64 0.34 0.00 -0.78 0.00 -0.99 -1.36 119.26 118.12 1xdx h ALA 28 Ca 0.57 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1xdx h ALA 28 Cb 0.99 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1xdx h ALA 28 CO -0.35 1.02 0.00 0.28 0.00 0.00 0.00 179.25 180.19 1xdx n VAL 29 N -3.93 1.33 0.00 0.00 0.31 0.49 -1.47 118.33 115.06 1xdx n VAL 29 Ca -0.32 0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1xdx n VAL 29 Cb 0.88 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 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 -1.59 0.45 0.14 7.52 7.99 0.23 -4.68 117.00 127.07 1xdx n LEU 30 Ca 0.02 0.00 0.10 0.00 -0.01 0.00 0.00 56.01 56.12 1xdx n LEU 30 Cb 0.11 0.00 0.05 0.00 -0.11 0.00 0.00 43.42 43.48 1xdx n LEU 30 CO 0.09 0.08 0.32 -0.61 -1.51 0.00 0.00 177.39 175.75 1xdx h GLN 31 N 0.00 0.00 -0.26 3.23 4.15 -1.23 -3.33 115.11 117.67 1xdx h GLN 31 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 1xdx h GLN 31 Cb 0.82 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 1xdx h GLN 31 CO 0.00 0.07 0.40 -2.95 -1.93 0.00 0.00 178.83 174.43 1xdx h ASN 32 N 0.00 0.00 -3.01 -0.69 7.08 -1.42 -3.43 115.58 114.11 1xdx h ASN 32 Ca -0.02 0.00 -0.17 0.00 -3.08 0.00 0.00 56.30 53.03 1xdx h ASN 32 Cb 1.09 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 37.29 1xdx h ASN 32 CO 0.01 0.00 -0.16 1.67 -2.08 0.00 0.00 177.43 176.88 1xdx n GLN 33 N -3.43 0.20 -1.80 4.14 -0.06 -1.25 -5.14 117.38 110.05 1xdx n GLN 33 Ca 0.04 -1.31 -0.27 0.00 -2.00 0.00 0.00 57.00 53.46 1xdx n GLN 33 Cb 0.53 1.12 0.19 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 -0.25 -1.15 -2.91 3.69 -0.06 -1.26 -4.96 117.38 110.47 1xdx n GLN 34 Ca 0.02 -1.94 -0.43 0.00 -2.00 0.00 0.00 57.00 52.66 1xdx n GLN 34 Cb 0.25 -1.24 -0.05 0.00 -4.06 0.00 0.00 30.24 25.14 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 -3.66 3.01 -0.05 3.69 5.04 -1.26 -5.00 117.35 119.12 1xdx s TYR 35 Ca 0.70 0.38 0.01 0.00 -2.44 0.00 0.00 57.07 55.72 1xdx s TYR 35 Cb -0.02 -3.67 0.02 0.00 0.35 0.00 0.00 41.96 38.64 1xdx s TYR 35 CO 0.49 -0.93 -0.07 -1.12 -1.34 0.00 0.00 175.55 172.58 1xdx s SER 36 N 2.07 1.18 0.25 4.32 0.01 -1.26 -5.04 113.70 115.23 1xdx s SER 36 Ca 0.33 -0.18 -0.04 0.00 1.31 0.00 0.00 55.95 57.37 1xdx s SER 36 Cb -0.12 -0.55 0.36 0.00 0.21 0.00 0.00 66.02 65.92 1xdx s SER 36 CO 0.22 -0.03 1.87 -0.08 0.41 0.00 0.00 173.24 175.63 1xdx h GLU 37 N 7.12 1.07 -0.29 12.44 4.57 -1.98 0.57 114.58 138.08 1xdx h GLU 37 Ca -0.36 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 57.84 1xdx h GLU 37 Cb 1.16 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 1xdx h GLU 37 CO 0.47 0.71 0.21 0.00 -1.18 0.00 0.00 179.01 179.22 1xdx h ALA 38 N 1.43 2.24 0.00 2.92 0.00 -2.02 -0.34 119.26 123.50 1xdx h ALA 38 Ca 0.40 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1xdx h ALA 38 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xdx h ALA 38 CO -0.17 -0.36 -1.54 1.63 0.00 0.00 0.00 179.25 178.82 1xdx n LYS 39 N -4.40 0.63 0.05 0.00 4.01 0.07 -3.84 118.16 114.70 1xdx n LYS 39 Ca 0.04 -0.02 0.21 0.00 -0.51 0.00 0.00 58.31 58.04 1xdx n LYS 39 Cb 0.37 -1.68 0.69 0.00 -0.51 0.00 0.00 35.03 33.91 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 0.28 0.00 -0.18 2.07 0.19 0.57 116.25 119.18 1xdx h VAL 40 Ca -0.04 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.33 1xdx h VAL 40 Cb 1.11 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1xdx h VAL 40 CO 0.01 0.00 -1.58 -0.24 0.02 0.00 0.00 177.57 175.78 1xdx n SER 41 N -3.57 2.89 0.09 0.57 2.88 -1.24 -4.52 113.62 110.71 1xdx n SER 41 Ca 0.10 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.57 1xdx n SER 41 Cb 0.77 0.75 0.03 0.00 -0.75 0.00 0.00 64.21 65.01 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 0.16 0.65 -1.46 1.08 -1.44 -3.16 115.11 110.94 1xdx h GLN 42 Ca -0.22 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 56.80 1xdx h GLN 42 Cb 1.47 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.94 1xdx h GLN 42 CO 0.01 0.87 -0.32 -1.49 -0.95 0.00 0.00 178.83 176.95 1xdx h TRP 43 N 0.10 -0.84 -0.17 2.96 -0.00 -0.14 -1.31 115.95 116.55 1xdx h TRP 43 Ca -0.03 -0.02 0.05 0.00 -0.00 0.00 0.00 58.89 58.89 1xdx h TRP 43 Cb 1.39 0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 30.82 1xdx h TRP 43 CO 0.02 -0.52 0.33 0.00 -0.00 0.00 0.00 178.44 178.28 1xdx h THR 44 N -0.89 0.20 -0.25 1.49 1.03 -1.77 1.06 112.91 113.78 1xdx h THR 44 Ca -0.09 0.00 -0.20 0.00 -0.01 0.00 0.00 66.41 66.12 1xdx h THR 44 Cb 0.69 0.70 0.00 0.00 -1.07 0.00 0.00 68.15 68.48 1xdx h THR 44 CO 0.14 0.00 -0.61 0.77 -0.01 0.00 0.00 175.52 175.80 1xdx h SER 45 N 0.00 0.97 0.22 0.00 4.64 -1.24 0.40 113.55 118.54 1xdx h SER 45 Ca 0.08 -0.55 -0.13 0.00 -0.47 0.00 0.00 61.79 60.72 1xdx h SER 45 Cb 0.74 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1xdx h SER 45 CO -0.00 1.35 -0.50 0.28 -0.87 0.00 0.00 176.83 177.09 1xdx h SER 46 N 0.64 0.35 -0.56 4.97 0.02 0.18 -2.00 113.55 117.14 1xdx h SER 46 Ca -0.00 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.70 1xdx h SER 46 Cb 1.23 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 1xdx h SER 46 CO 0.13 0.79 0.07 0.00 -1.14 0.00 0.00 176.83 176.69 1xdx h LEU 48 N 0.92 0.76 -0.12 0.00 4.07 -0.50 1.09 115.31 121.53 1xdx h LEU 48 Ca 0.18 -0.12 -0.22 0.00 0.08 0.00 0.00 57.88 57.80 1xdx h LEU 48 Cb 0.44 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1xdx h LEU 48 CO 0.02 0.73 -1.00 -0.08 -1.08 0.00 0.00 178.44 177.03 1xdx h GLU 49 N 0.80 0.19 -0.03 1.13 4.81 -0.64 0.46 114.58 121.31 1xdx h GLU 49 Ca 0.18 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xdx h GLU 49 Cb 0.25 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1xdx h GLU 49 CO -0.01 1.04 0.00 0.72 -0.73 0.00 0.00 179.01 180.03 1xdx n HIS 50 N -3.58 0.04 -0.09 0.92 8.25 0.30 -1.57 115.22 119.49 1xdx n HIS 50 Ca -0.04 -0.02 -0.17 0.00 -0.26 0.00 0.00 57.72 57.23 1xdx n HIS 50 Cb 0.89 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.93 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 -0.48 1.16 -0.49 0.00 -0.00 -0.96 -1.22 117.51 115.52 1xdx h ILE 52 Ca -0.42 -0.46 0.06 0.00 -0.00 0.00 0.00 64.86 64.04 1xdx h ILE 52 Cb 1.43 1.02 -0.03 0.00 -0.00 0.00 0.00 36.82 39.24 1xdx h ILE 52 CO -0.22 0.16 0.33 0.11 -0.00 0.00 0.00 178.15 178.53 1xdx h LYS 53 N 0.25 0.40 -0.06 2.19 6.56 -1.51 -1.37 116.57 123.03 1xdx h LYS 53 Ca 0.08 -0.02 -0.13 0.00 -1.06 0.00 0.00 60.65 59.52 1xdx h LYS 53 Cb 0.15 -0.09 0.01 0.00 -0.57 0.00 0.00 32.23 31.73 1xdx h LYS 53 CO -0.01 0.27 -0.46 -0.09 -2.06 0.00 0.00 179.45 177.10 1xdx h ARG 54 N 0.42 0.41 -0.08 3.15 1.12 -1.65 -3.00 114.38 114.75 1xdx h ARG 54 Ca 0.21 -0.37 0.02 0.00 -1.11 0.00 0.00 59.98 58.74 1xdx h ARG 54 Cb 0.32 0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 30.36 1xdx h ARG 54 CO -0.05 1.02 0.06 -0.07 -3.11 0.00 0.00 179.97 177.81 1xdx h LEU 55 N -0.07 0.00 -0.55 3.80 3.38 -0.51 0.50 115.31 121.86 1xdx h LEU 55 Ca -0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 1xdx h LEU 55 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1xdx h LEU 55 CO 0.09 0.00 -0.59 0.71 0.09 0.00 0.00 178.44 178.75 1xdx h THR 56 N 0.00 1.35 -0.53 0.22 1.35 -1.24 0.44 112.91 114.50 1xdx h THR 56 Ca 0.04 -1.88 -0.08 0.00 -0.55 0.00 0.00 66.41 63.93 1xdx h THR 56 Cb 0.15 1.88 -0.02 0.00 -1.73 0.00 0.00 68.15 68.43 1xdx h THR 56 CO -0.00 0.57 0.01 0.00 -0.25 0.00 0.00 175.52 175.85 1xdx h ALA 57 N 1.04 0.71 -0.04 6.62 0.00 -0.80 -3.06 119.26 123.73 1xdx h ALA 57 Ca -0.00 -0.29 -0.24 0.00 0.00 0.00 0.00 54.91 54.38 1xdx h ALA 57 Cb 1.12 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.73 1xdx h ALA 57 CO 0.10 0.52 -0.92 -0.07 0.00 0.00 0.00 179.25 178.89 1xdx h LEU 58 N 0.80 0.87 -3.57 0.00 -0.00 -1.16 -3.48 115.31 108.77 1xdx h LEU 58 Ca 0.15 -0.71 -0.45 0.00 -0.00 0.00 0.00 57.88 56.87 1xdx h LEU 58 Cb 0.52 -0.27 0.01 0.00 -0.00 0.00 0.00 40.66 40.92 1xdx h LEU 58 CO 0.03 1.47 -0.93 -0.46 -0.00 0.00 0.00 178.44 178.54 1xdx n ASN 59 N -3.93 -5.09 -2.91 -0.43 0.23 0.15 -4.97 115.26 98.31 1xdx n ASN 59 Ca -0.10 -0.95 0.03 0.00 -0.53 0.00 0.00 54.58 53.03 1xdx n ASN 59 Cb 0.82 -2.30 0.00 0.00 -2.08 0.00 0.00 39.78 36.22 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 -5.44 0.14 0.00 -3.83 2.20 -1.26 -4.69 119.74 106.86 1xdx s LYS 60 Ca 0.18 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 1xdx s LYS 60 Cb -0.09 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 1xdx s LYS 60 CO 0.89 -0.22 0.00 -0.35 -0.36 0.00 0.00 175.35 175.31 1xdx n PRO 61 N 4.23 -0.19 -0.06 4.03 -0.04 -1.26 -5.08 135.00 136.62 1xdx n PRO 61 Ca 0.07 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.48 1xdx n PRO 61 Cb 0.61 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.06 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 -1.82 0.64 -1.55 0.54 3.01 -1.26 -4.79 117.46 112.23 1xdx n PHE 62 Ca 0.00 0.28 -0.24 0.00 1.01 0.00 0.00 57.45 58.50 1xdx n PHE 62 Cb 0.00 -0.65 -0.08 0.00 -0.01 0.00 0.00 39.48 38.75 1xdx n PHE 62 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1xdx n LYS 63 N -4.28 0.64 -4.61 -1.08 5.02 -1.21 -4.90 118.16 107.75 1xdx n LYS 63 Ca -0.07 -0.42 -0.31 0.00 -2.02 0.00 0.00 58.31 55.49 1xdx n LYS 63 Cb 0.28 -3.21 -0.17 0.00 -0.02 0.00 0.00 35.03 31.91 1xdx n LYS 63 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1xdx s TYR 64 N 12.19 2.33 0.02 2.13 2.02 -1.26 0.28 117.35 135.07 1xdx s TYR 64 Ca 1.01 -1.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.61 1xdx s TYR 64 Cb -0.29 -1.62 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 1xdx s TYR 64 CO 0.22 -0.54 -0.02 0.08 -1.57 0.00 0.00 175.55 173.73 1xdx s VAL 65 N 0.86 3.99 -0.26 0.71 1.01 0.89 -4.94 120.40 122.66 1xdx s VAL 65 Ca -0.08 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 1xdx s VAL 65 Cb -0.15 -2.80 0.08 0.00 0.00 0.00 0.00 36.38 33.51 1xdx s VAL 65 CO -0.01 0.33 0.06 -0.69 0.00 0.00 0.00 175.10 174.79 1xdx s VAL 66 N -1.11 0.76 0.14 2.92 1.01 -1.26 0.23 120.40 123.09 1xdx s VAL 66 Ca 0.20 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.22 1xdx s VAL 66 Cb -0.11 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1xdx s VAL 66 CO 0.11 -0.45 -0.18 0.28 0.00 0.00 0.00 175.10 174.86 1xdx s THR 67 N 1.71 1.68 0.04 3.92 -1.32 -0.56 -4.94 115.64 116.17 1xdx s THR 67 Ca 0.04 -1.77 -0.17 0.00 -1.21 0.00 0.00 61.69 58.58 1xdx s THR 67 Cb -0.17 -1.69 0.03 0.00 -1.51 0.00 0.00 72.50 69.16 1xdx s THR 67 CO -0.18 -0.27 0.39 0.00 -2.21 0.00 0.00 174.62 172.35 1xdx s ILE 69 N -2.48 0.99 -0.14 0.00 1.09 0.19 -4.96 121.20 115.88 1xdx s ILE 69 Ca -0.05 -0.61 -0.05 0.00 -1.10 0.00 0.00 60.65 58.84 1xdx s ILE 69 Cb -0.01 -0.84 -0.04 0.00 -1.06 0.00 0.00 42.46 40.52 1xdx s ILE 69 CO -0.03 0.22 0.04 0.27 -0.10 0.00 0.00 174.94 175.34 1xdx s ILE 70 N -0.40 4.63 -0.30 2.92 -4.36 -1.26 -0.57 121.20 121.86 1xdx s ILE 70 Ca 0.04 -0.11 0.02 0.00 -0.26 0.00 0.00 60.65 60.34 1xdx s ILE 70 Cb -0.05 -3.02 0.07 0.00 1.25 0.00 0.00 42.46 40.71 1xdx s ILE 70 CO -0.00 0.54 -0.02 -0.32 0.24 0.00 0.00 174.94 175.37 1xdx s MET 71 N -0.29 2.08 0.36 0.37 1.75 0.33 -5.00 119.30 118.90 1xdx s MET 71 Ca 0.08 -1.50 -0.13 0.00 -1.25 0.00 0.00 55.69 52.89 1xdx s MET 71 Cb -0.12 -3.08 -0.08 0.00 2.84 0.00 0.00 34.83 34.39 1xdx s MET 71 CO 0.02 -0.71 0.75 -1.14 -0.65 0.00 0.00 175.02 173.29 1xdx s GLN 72 N 1.09 3.90 0.50 4.11 2.00 -1.26 -1.10 119.66 128.90 1xdx s GLN 72 Ca -0.02 0.58 0.00 0.00 -2.00 0.00 0.00 55.36 53.92 1xdx s GLN 72 Cb -0.20 -2.41 0.00 0.00 0.80 0.00 0.00 33.01 31.20 1xdx s GLN 72 CO -0.05 0.07 0.00 1.17 -0.50 0.00 0.00 175.29 175.98 1xdx n LYS 73 N -0.77 -4.25 -2.99 1.67 0.00 -1.26 -4.61 118.16 105.94 1xdx n LYS 73 Ca 0.03 3.18 -0.44 0.00 0.00 0.00 0.00 58.31 61.08 1xdx n LYS 73 Cb 0.53 -3.61 -0.04 0.00 0.00 0.00 0.00 35.03 31.91 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 -3.50 6.20 0.00 3.14 2.20 -1.24 -4.01 114.94 117.74 1xdx s ASN 74 Ca 0.00 -1.07 0.00 0.00 -0.94 0.00 0.00 52.86 50.85 1xdx s ASN 74 Cb 0.00 -2.36 0.00 0.00 -2.00 0.00 0.00 41.25 36.89 1xdx s ASN 74 CO 0.00 -1.22 0.00 0.61 -2.94 0.00 0.00 177.10 173.55 1xdx n GLY 75 N 5.27 0.86 3.67 0.45 0.00 -1.26 -5.12 105.19 109.06 1xdx n GLY 75 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 3.62 0.45 4.61 0.00 -1.26 -4.98 121.76 124.21 1xdx s ALA 76 Ca 0.00 0.87 -0.23 0.00 0.00 0.00 0.00 51.96 52.59 1xdx s ALA 76 Cb 0.00 -3.68 -0.08 0.00 0.00 0.00 0.00 23.12 19.37 1xdx s ALA 76 CO 0.00 -1.20 1.17 0.20 0.00 0.00 0.00 175.76 175.93 1xdx s GLY 77 N 2.62 2.79 -0.01 0.00 0.00 -1.26 -5.01 107.32 106.45 1xdx s GLY 77 Ca 0.68 0.94 0.00 0.00 0.00 0.00 0.00 44.72 46.34 1xdx s GLY 77 CO 0.26 1.41 -0.01 -2.27 0.00 0.00 0.00 173.10 172.50 1xdx s LEU 78 N -2.92 1.61 -0.13 0.66 2.96 -1.26 -5.15 118.68 114.45 1xdx s LEU 78 Ca 0.62 -0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 54.38 1xdx s LEU 78 Cb -0.29 -0.13 0.03 0.00 0.50 0.00 0.00 46.19 46.30 1xdx s LEU 78 CO 0.35 -0.04 0.36 -1.00 -1.32 0.00 0.00 176.35 174.71 1xdx s HIS 79 N 0.44 -0.39 0.13 5.38 3.76 -1.26 -5.17 115.29 118.18 1xdx s HIS 79 Ca -0.04 0.94 0.08 0.00 -0.15 0.00 0.00 55.06 55.89 1xdx s HIS 79 Cb -0.06 0.13 -0.04 0.00 1.11 0.00 0.00 32.58 33.72 1xdx s HIS 79 CO -0.01 -0.20 -0.18 0.99 -0.85 0.00 0.00 174.74 174.49 1xdx s THR 80 N 0.13 1.65 0.01 1.30 2.01 -1.26 -5.15 115.64 114.33 1xdx s THR 80 Ca -0.01 -1.73 -0.00 0.00 0.31 0.00 0.00 61.69 60.27 1xdx s THR 80 Cb -0.03 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.83 1xdx s THR 80 CO 0.01 -0.25 -0.01 0.00 -0.69 0.00 0.00 174.62 173.68 1xdx s ALA 81 N -1.74 0.04 -0.27 7.40 0.00 -1.26 -5.15 121.76 120.77 1xdx s ALA 81 Ca 0.10 -0.19 -0.14 0.00 0.00 0.00 0.00 51.96 51.73 1xdx s ALA 81 Cb -0.07 0.05 0.09 0.00 0.00 0.00 0.00 23.12 23.18 1xdx s ALA 81 CO 0.05 -0.05 0.65 0.00 0.00 0.00 0.00 175.76 176.41 1xdx s ALA 82 N -0.47 -1.81 -0.25 0.00 0.00 -1.26 -5.13 121.76 112.84 1xdx s ALA 82 Ca -0.05 2.31 -0.03 0.00 0.00 0.00 0.00 51.96 54.19 1xdx s ALA 82 Cb -0.03 -1.43 0.01 0.00 0.00 0.00 0.00 23.12 21.67 1xdx s ALA 82 CO -0.00 -0.46 -0.02 0.45 0.00 0.00 0.00 175.76 175.72 1xdx s SER 83 N 1.84 4.49 -0.05 0.00 0.15 -1.26 -5.10 113.70 113.76 1xdx s SER 83 Ca -0.09 -0.70 -0.07 0.00 0.70 0.00 0.00 55.95 55.78 1xdx s SER 83 Cb -0.07 -1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 1xdx s SER 83 CO -0.19 -0.11 0.22 0.00 1.20 0.00 0.00 173.24 174.36 1xdx n TRP 85 N 1.53 0.00 -4.49 0.00 -0.00 -1.26 -4.82 117.44 108.40 1xdx n TRP 85 Ca -0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 57.50 57.11 1xdx n TRP 85 Cb 0.54 -0.18 -0.09 0.00 -0.00 0.00 0.00 31.31 31.57 1xdx n TRP 85 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1xdx s TRP 86 N -2.36 1.85 0.00 5.87 0.51 -1.26 -5.05 118.94 118.50 1xdx s TRP 86 Ca 0.28 -1.13 0.00 0.00 -2.12 0.00 0.00 56.10 53.14 1xdx s TRP 86 Cb 0.17 -1.21 0.00 0.00 -0.81 0.00 0.00 33.47 31.61 1xdx s TRP 86 CO 0.34 -0.15 0.00 -3.47 -0.51 0.00 0.00 176.95 173.16 1xdx n ASP 87 N -0.99 0.00 0.19 2.95 -0.08 -1.26 -4.79 116.55 112.56 1xdx n ASP 87 Ca -0.05 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.30 1xdx n ASP 87 Cb 0.66 0.08 0.57 0.00 2.34 0.00 0.00 41.12 44.77 1xdx n ASP 87 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1xdx h SER 88 N 0.00 0.12 0.00 1.67 0.87 -2.01 -3.27 113.55 110.93 1xdx h SER 88 Ca 0.00 -0.01 -0.26 0.00 -1.23 0.00 0.00 61.79 60.30 1xdx h SER 88 Cb 0.00 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.89 1xdx h SER 88 CO 0.00 0.11 -1.91 1.07 -0.53 0.00 0.00 176.83 175.57 1xdx n THR 89 N -4.50 0.90 -2.43 2.23 5.66 -1.26 -4.80 114.28 110.07 1xdx n THR 89 Ca -0.01 -0.29 -0.40 0.00 -3.05 0.00 0.00 64.05 60.30 1xdx n THR 89 Cb 0.10 -1.38 -0.01 0.00 -1.55 0.00 0.00 70.33 67.49 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 -3.34 3.49 -3.65 1.09 -2.24 -1.23 0.53 114.28 108.94 1xdx n THR 90 Ca -0.30 -3.61 -0.28 0.00 -2.27 0.00 0.00 64.05 57.59 1xdx n THR 90 Cb 0.76 -2.32 -0.11 0.00 -2.10 0.00 0.00 70.33 66.56 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 4.68 3.16 0.00 3.42 -1.08 -1.26 -4.39 116.67 121.20 1xdx s ASP 91 Ca 0.57 -3.24 0.00 0.00 -0.52 0.00 0.00 52.55 49.36 1xdx s ASP 91 Cb 0.03 -1.00 0.00 0.00 -1.46 0.00 0.00 42.92 40.50 1xdx s ASP 91 CO 0.09 -0.16 0.00 0.61 0.52 0.00 0.00 175.17 176.22 1xdx n GLY 92 N 2.71 0.00 2.30 2.66 0.00 -0.98 -4.64 105.19 107.24 1xdx n GLY 92 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.44 0.59 -3.61 1.61 3.41 -1.23 -3.64 113.62 110.30 1xdx n SER 93 Ca 0.00 0.55 -0.18 0.00 -0.26 0.00 0.00 58.87 58.98 1xdx n SER 93 Cb 0.00 -0.61 -0.15 0.00 -0.26 0.00 0.00 64.21 63.19 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 3.62 0.09 0.21 4.33 3.00 0.11 -4.96 118.95 125.35 1xdx s ARG 94 Ca 0.80 0.41 -0.09 0.00 0.00 0.00 0.00 55.73 56.85 1xdx s ARG 94 Cb -1.03 -0.68 -0.07 0.00 0.00 0.00 0.00 34.95 33.18 1xdx s ARG 94 CO 0.48 -0.44 0.51 -0.08 0.00 0.00 0.00 175.30 175.77 1xdx s THR 95 N 2.30 4.98 0.05 0.02 -1.32 -1.26 -0.31 115.64 120.10 1xdx s THR 95 Ca 0.04 0.40 0.07 0.00 -1.21 0.00 0.00 61.69 60.99 1xdx s THR 95 Cb -0.13 -3.62 -0.03 0.00 -1.51 0.00 0.00 72.50 67.21 1xdx s THR 95 CO -0.08 -0.03 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.42 1xdx s VAL 96 N -1.76 1.52 -0.24 5.08 1.01 0.14 -1.49 120.40 124.65 1xdx s VAL 96 Ca 0.45 -1.20 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1xdx s VAL 96 Cb -0.12 -1.34 0.06 0.00 0.00 0.00 0.00 36.38 34.98 1xdx s VAL 96 CO 0.22 0.11 -0.08 -0.13 0.00 0.00 0.00 175.10 175.21 1xdx s ARG 97 N -1.29 1.92 -0.09 2.72 1.81 -1.26 -0.75 118.95 122.02 1xdx s ARG 97 Ca 0.06 -1.15 -0.10 0.00 -1.72 0.00 0.00 55.73 52.82 1xdx s ARG 97 Cb -0.09 -2.72 -0.05 0.00 -0.45 0.00 0.00 34.95 31.65 1xdx s ARG 97 CO 0.02 -0.58 0.24 -1.58 -0.68 0.00 0.00 175.30 172.72 1xdx s TRP 98 N 1.26 3.62 -0.02 -0.53 0.23 -0.12 -4.44 118.94 118.94 1xdx s TRP 98 Ca -0.07 0.67 -0.07 0.00 -2.03 0.00 0.00 56.10 54.60 1xdx s TRP 98 Cb -0.19 -2.10 0.01 0.00 0.03 0.00 0.00 33.47 31.22 1xdx s TRP 98 CO -0.06 0.64 0.16 -1.21 0.96 0.00 0.00 176.95 177.44 1xdx s GLU 99 N -0.82 0.41 0.04 4.98 2.02 -1.24 -1.40 118.70 122.69 1xdx s GLU 99 Ca 0.17 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 54.97 1xdx s GLU 99 Cb -0.13 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.27 1xdx s GLU 99 CO 0.07 -0.09 0.00 0.27 0.02 0.00 0.00 175.26 175.53 1xdx n ASN 100 N 1.92 0.19 0.00 -0.19 6.94 -1.22 -0.20 115.26 122.69 1xdx n ASN 100 Ca -0.20 0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.43 1xdx n ASN 100 Cb 0.57 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 1xdx n ASN 100 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1xdx n LYS 101 N -3.02 0.00 0.00 -3.83 -0.00 -1.26 -0.49 118.16 109.56 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 0.25 -0.06 0.00 0.00 -0.00 0.00 0.00 35.03 35.22 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 -2.01 0.00 -4.62 -5.58 2.88 -1.26 -4.93 113.62 98.10 1xdx n SER 102 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1xdx n SER 102 Cb 0.00 0.04 -0.02 0.00 -0.75 0.00 0.00 64.21 63.48 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 -1.55 3.81 -0.02 -1.46 1.75 -1.26 -3.65 119.30 116.92 1xdx s MET 103 Ca 0.00 1.02 -0.02 0.00 -1.25 0.00 0.00 55.69 55.43 1xdx s MET 103 Cb 0.00 -3.90 -0.04 0.00 2.84 0.00 0.00 34.83 33.73 1xdx s MET 103 CO 0.00 -1.26 0.13 0.71 -0.65 0.00 0.00 175.02 173.95 1xdx s TYR 104 N 4.57 3.43 -0.14 4.11 2.02 -0.25 -4.11 117.35 126.98 1xdx s TYR 104 Ca 0.55 0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 57.54 1xdx s TYR 104 Cb -0.13 -1.80 0.04 0.00 -0.40 0.00 0.00 41.96 39.67 1xdx s TYR 104 CO 0.26 0.61 -0.01 0.00 -1.57 0.00 0.00 175.55 174.85 1xdx s ILE 106 N 1.83 5.07 -0.04 0.00 2.07 0.26 -0.95 121.20 129.45 1xdx s ILE 106 Ca 0.02 0.06 -0.01 0.00 -1.41 0.00 0.00 60.65 59.30 1xdx s ILE 106 Cb -0.15 -3.24 0.03 0.00 0.13 0.00 0.00 42.46 39.23 1xdx s ILE 106 CO -0.07 0.54 0.04 0.00 -1.91 0.00 0.00 174.94 173.54 1xdx s THR 108 N 1.88 3.53 -0.18 0.00 -1.32 0.21 0.28 115.64 120.03 1xdx s THR 108 Ca 0.02 -0.54 -0.03 0.00 -1.21 0.00 0.00 61.69 59.93 1xdx s THR 108 Cb -0.12 -2.44 -0.01 0.00 -1.51 0.00 0.00 72.50 68.42 1xdx s THR 108 CO -0.03 0.59 -0.07 -0.69 -2.21 0.00 0.00 174.62 172.20 1xdx s VAL 109 N -0.66 3.32 -0.55 5.08 1.01 0.58 -1.49 120.40 127.68 1xdx s VAL 109 Ca 0.10 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 1xdx s VAL 109 Cb -0.11 -2.46 0.14 0.00 0.00 0.00 0.00 36.38 33.94 1xdx s VAL 109 CO 0.01 0.47 0.50 -0.36 0.00 0.00 0.00 175.10 175.72 1xdx s PHE 110 N 0.97 3.31 -1.21 5.22 0.40 0.13 -0.71 117.98 126.09 1xdx s PHE 110 Ca -0.01 -1.42 -0.13 0.00 -0.60 0.00 0.00 56.93 54.77 1xdx s PHE 110 Cb -0.15 -3.76 0.18 0.00 0.51 0.00 0.00 43.02 39.80 1xdx s PHE 110 CO 0.00 -1.01 1.44 0.41 0.70 0.00 0.00 175.22 176.75 1xdx n GLY 111 N 5.11 3.50 3.71 4.36 0.00 -1.24 -0.07 105.19 120.55 1xdx n GLY 111 Ca -0.11 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 1xdx n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xdx s LEU 112 N 1.29 4.39 -1.07 0.99 1.02 0.14 -2.32 118.68 123.12 1xdx s LEU 112 Ca 0.42 1.71 -0.23 0.00 0.02 0.00 0.00 54.13 56.05 1xdx s LEU 112 Cb -0.03 -3.57 -0.12 0.00 0.02 0.00 0.00 46.19 42.49 1xdx s LEU 112 CO -0.00 -0.25 1.94 0.00 0.02 0.00 0.00 176.35 178.05 1xdx n ALA 113 N 3.75 1.92 -0.41 4.21 0.00 0.19 -3.29 120.51 126.88 1xdx n ALA 113 Ca 0.06 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.50 1xdx n ALA 113 Cb 0.50 -3.50 0.00 0.00 0.00 0.00 0.00 19.45 16.45 1xdx n ALA 113 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61