#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 -3.05 0.00 3.17 2.13 -1.26 -3.93 120.64 117.69 1xdx n GLU 2 Ca 0.00 2.51 0.00 0.00 0.66 0.00 0.00 57.16 60.33 1xdx n GLU 2 Cb 0.00 -5.17 0.00 0.00 0.27 0.00 0.00 31.44 26.54 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 0.45 1.85 3.68 8.31 0.00 -1.26 -4.95 105.19 113.27 1xdx n GLY 3 Ca 0.02 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 3.97 -0.35 1.61 1.01 -1.25 -4.80 120.40 120.58 1xdx s VAL 4 Ca 0.00 1.30 0.04 0.00 0.00 0.00 0.00 61.98 63.32 1xdx s VAL 4 Cb 0.00 -3.84 0.10 0.00 0.00 0.00 0.00 36.38 32.65 1xdx s VAL 4 CO 0.00 -0.03 0.06 -0.62 0.00 0.00 0.00 175.10 174.51 1xdx s ASP 5 N 1.86 4.76 -0.21 3.32 -1.08 0.36 -4.12 116.67 121.56 1xdx s ASP 5 Ca 0.60 -2.19 -0.30 0.00 -0.52 0.00 0.00 52.55 50.14 1xdx s ASP 5 Cb -0.28 -1.63 -0.07 0.00 -1.46 0.00 0.00 42.92 39.48 1xdx s ASP 5 CO 0.23 -0.38 2.18 -2.65 0.52 0.00 0.00 175.17 175.07 1xdx n PRO 6 N 4.21 1.89 0.00 4.34 -0.02 -1.23 -3.84 135.00 140.36 1xdx n PRO 6 Ca 0.04 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1xdx n PRO 6 Cb 0.42 -3.04 0.00 0.00 -0.02 0.00 0.00 33.50 30.86 1xdx n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xdx n ALA 7 N 10.69 0.00 0.00 3.55 0.00 -0.19 -4.78 120.51 129.78 1xdx n ALA 7 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1xdx n ALA 7 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -3.83 0.00 0.31 -1.25 -3.91 118.33 109.65 1xdx n VAL 8 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1xdx n VAL 8 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 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 1.42 0.44 5.55 0.41 -1.26 -5.11 118.70 120.15 1xdx s GLU 9 Ca 0.00 -2.02 -0.22 0.00 -0.41 0.00 0.00 54.97 52.32 1xdx s GLU 9 Cb 0.00 -2.69 -0.09 0.00 -1.78 0.00 0.00 34.13 29.56 1xdx s GLU 9 CO 0.00 -1.09 1.01 -2.00 -0.49 0.00 0.00 175.26 172.69 1xdx s GLU 10 N 0.45 4.05 0.29 1.61 2.56 -1.26 -4.37 118.70 122.03 1xdx s GLU 10 Ca 0.15 1.32 0.09 0.00 0.00 0.00 0.00 54.97 56.53 1xdx s GLU 10 Cb -0.23 -2.26 -0.04 0.00 2.00 0.00 0.00 34.13 33.60 1xdx s GLU 10 CO -0.05 -0.21 0.09 0.00 -0.56 0.00 0.00 175.26 174.53 1xdx s ALA 11 N -1.94 3.37 0.50 6.30 0.00 -1.26 -4.83 121.76 123.91 1xdx s ALA 11 Ca 0.63 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1xdx s ALA 11 Cb -0.16 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.12 1xdx s ALA 11 CO 0.20 0.17 0.00 0.00 0.00 0.00 0.00 175.76 176.12 1xdx n ALA 12 N -1.05 -1.90 -2.39 0.00 0.00 -0.83 -4.26 120.51 110.09 1xdx n ALA 12 Ca -0.05 0.43 0.02 0.00 0.00 0.00 0.00 53.44 53.84 1xdx n ALA 12 Cb 0.60 -1.36 0.01 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.25 0.00 -4.61 0.00 -0.00 -1.26 -4.96 117.46 105.38 1xdx n PHE 13 Ca 0.00 -0.44 -0.30 0.00 -0.00 0.00 0.00 57.45 56.71 1xdx n PHE 13 Cb 0.09 -0.06 -0.13 0.00 -0.00 0.00 0.00 39.48 39.38 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 0.00 2.65 -0.51 -2.13 1.01 -1.26 -4.84 120.40 115.32 1xdx s VAL 14 Ca 0.26 -1.33 -0.13 0.00 0.00 0.00 0.00 61.98 60.79 1xdx s VAL 14 Cb 0.30 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.57 1xdx s VAL 14 CO -0.13 0.27 0.62 0.00 0.00 0.00 0.00 175.10 175.87 1xdx n ALA 15 N 1.39 -2.88 -0.17 5.51 0.00 -1.26 -4.54 120.51 118.56 1xdx n ALA 15 Ca -0.16 0.88 -0.03 0.00 0.00 0.00 0.00 53.44 54.13 1xdx n ALA 15 Cb 0.52 -3.22 0.07 0.00 0.00 0.00 0.00 19.45 16.82 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 1.62 0.21 -0.99 0.00 3.04 -1.98 0.14 116.42 118.47 1xdx h ASP 16 Ca -0.01 0.06 0.11 0.00 -3.24 0.00 0.00 57.03 53.95 1xdx h ASP 16 Cb 1.01 0.03 -0.08 0.00 -1.04 0.00 0.00 39.33 39.26 1xdx h ASP 16 CO 0.23 0.15 0.63 -2.24 -2.04 0.00 0.00 179.24 175.96 1xdx h ASP 17 N 0.38 0.91 0.90 4.15 2.03 -2.00 -0.35 116.42 122.44 1xdx h ASP 17 Ca 0.25 0.04 -0.23 0.00 -0.73 0.00 0.00 57.03 56.36 1xdx h ASP 17 Cb 0.26 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.59 1xdx h ASP 17 CO -0.24 0.50 -1.09 0.58 -1.03 0.00 0.00 179.24 177.96 1xdx h VAL 18 N 0.99 1.63 -0.36 4.15 2.07 -1.71 -3.15 116.25 119.87 1xdx h VAL 18 Ca 0.48 -3.32 -0.05 0.00 0.82 0.00 0.00 66.70 64.63 1xdx h VAL 18 Cb 0.45 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1xdx h VAL 18 CO -0.24 0.94 0.03 0.28 0.02 0.00 0.00 177.57 178.60 1xdx h SER 19 N 0.01 0.59 0.11 0.57 0.02 0.38 -3.05 113.55 112.19 1xdx h SER 19 Ca -0.05 -0.29 -0.14 0.00 -0.84 0.00 0.00 61.79 60.47 1xdx h SER 19 Cb 1.82 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 64.20 1xdx h SER 19 CO 0.14 0.73 -0.50 -0.55 -1.14 0.00 0.00 176.83 175.51 1xdx h ASN 20 N 0.43 0.49 0.17 3.07 -1.07 -1.22 -2.99 115.58 114.46 1xdx h ASN 20 Ca 0.10 -0.24 0.01 0.00 0.07 0.00 0.00 56.30 56.24 1xdx h ASN 20 Cb 0.41 -0.14 -0.02 0.00 -2.07 0.00 0.00 38.32 36.50 1xdx h ASN 20 CO 0.01 0.90 -0.21 0.40 0.07 0.00 0.00 177.43 178.61 1xdx h ILE 21 N 0.35 0.54 0.19 6.14 2.04 -1.50 0.86 117.51 126.13 1xdx h ILE 21 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1xdx h ILE 21 Cb 1.00 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1xdx h ILE 21 CO 0.09 0.00 -0.09 -0.29 0.00 0.00 0.00 178.15 177.86 1xdx h ILE 22 N -0.43 0.82 0.30 -0.67 6.09 -1.58 0.22 117.51 122.26 1xdx h ILE 22 Ca 0.01 -0.03 -0.01 0.00 -1.37 0.00 0.00 64.86 63.46 1xdx h ILE 22 Cb 0.42 0.84 0.00 0.00 0.47 0.00 0.00 36.82 38.55 1xdx h ILE 22 CO -0.08 0.01 -0.14 0.11 -3.07 0.00 0.00 178.15 174.98 1xdx h LYS 23 N -0.26 -0.38 -1.00 2.19 1.57 -1.41 -0.99 116.57 116.29 1xdx h LYS 23 Ca -0.03 0.03 0.25 0.00 -1.87 0.00 0.00 60.65 59.03 1xdx h LYS 23 Cb 0.20 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.52 1xdx h LYS 23 CO 0.04 -0.22 0.66 0.93 -0.57 0.00 0.00 179.45 180.28 1xdx h GLU 24 N -0.44 0.35 -0.12 3.15 4.39 0.82 0.15 114.58 122.88 1xdx h GLU 24 Ca -0.04 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 1xdx h GLU 24 Cb 0.34 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1xdx h GLU 24 CO 0.07 0.23 -0.12 1.03 -1.16 0.00 0.00 179.01 179.06 1xdx h SER 25 N 0.36 0.32 -0.64 1.42 0.87 -0.20 -2.93 113.55 112.75 1xdx h SER 25 Ca 0.54 -0.48 0.05 0.00 -1.23 0.00 0.00 61.79 60.67 1xdx h SER 25 Cb 1.44 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 63.26 1xdx h SER 25 CO -0.22 0.73 0.37 0.40 -0.53 0.00 0.00 176.83 177.58 1xdx h ILE 26 N -0.09 1.01 -0.97 2.23 5.03 0.51 1.43 117.51 126.66 1xdx h ILE 26 Ca 0.02 -0.24 0.20 0.00 -0.12 0.00 0.00 64.86 64.71 1xdx h ILE 26 Cb 0.64 0.24 -0.09 0.00 -3.03 0.00 0.00 36.82 34.59 1xdx h ILE 26 CO 0.03 0.13 0.61 -0.78 -0.68 0.00 0.00 178.15 177.46 1xdx h ASP 27 N 0.70 0.64 0.08 1.72 3.58 -1.04 0.43 116.42 122.53 1xdx h ASP 27 Ca 0.28 0.07 -0.31 0.00 0.42 0.00 0.00 57.03 57.49 1xdx h ASP 27 Cb 0.12 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 1xdx h ASP 27 CO -0.15 0.24 -1.68 0.00 -2.88 0.00 0.00 179.24 174.76 1xdx h ALA 28 N 1.62 0.35 0.00 -0.78 0.00 -0.91 -1.30 119.26 118.24 1xdx h ALA 28 Ca 0.54 -1.31 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1xdx h ALA 28 Cb 1.01 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1xdx h ALA 28 CO -0.30 1.05 0.00 0.28 0.00 0.00 0.00 179.25 180.28 1xdx n VAL 29 N -3.88 0.67 0.00 0.00 0.31 0.47 -1.13 118.33 114.77 1xdx n VAL 29 Ca -0.32 0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1xdx n VAL 29 Cb 0.90 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 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 -1.30 1.14 0.07 7.52 7.99 0.15 -4.67 117.00 127.90 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 0.11 0.00 0.37 0.00 -0.11 0.00 0.00 43.42 43.79 1xdx n LEU 30 CO 0.10 0.19 0.72 1.67 -1.51 0.00 0.00 177.39 178.56 1xdx n GLN 31 N -1.90 0.20 -0.40 3.23 7.27 -0.49 -4.19 117.38 121.10 1xdx n GLN 31 Ca 0.00 0.13 0.32 0.00 0.07 0.00 0.00 57.00 57.52 1xdx n GLN 31 Cb 0.35 -1.70 0.53 0.00 2.41 0.00 0.00 30.24 31.83 1xdx n GLN 31 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1xdx n ASN 32 N -2.03 0.11 0.00 1.69 6.94 -0.29 -4.46 115.26 117.23 1xdx n ASN 32 Ca 0.05 0.93 0.00 0.00 -0.02 0.00 0.00 54.58 55.54 1xdx n ASN 32 Cb 0.41 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1xdx n ASN 32 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1xdx n GLN 33 N -3.93 0.00 -4.08 -3.83 0.00 -1.26 -5.13 117.38 99.14 1xdx n GLN 33 Ca 0.31 0.00 -0.18 0.00 -0.00 0.00 0.00 57.00 57.13 1xdx n GLN 33 Cb 1.25 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 31.43 1xdx n GLN 33 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1xdx n GLN 34 N -0.34 0.47 -3.01 3.69 7.27 -1.26 -5.12 117.38 119.07 1xdx n GLN 34 Ca 0.00 -3.08 -0.43 0.00 0.07 0.00 0.00 57.00 53.57 1xdx n GLN 34 Cb 0.00 2.63 -0.06 0.00 2.41 0.00 0.00 30.24 35.22 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 3.06 -0.09 3.69 5.04 -1.26 -4.87 117.35 119.71 1xdx s TYR 35 Ca 0.36 0.27 -0.00 0.00 -2.44 0.00 0.00 57.07 55.25 1xdx s TYR 35 Cb 0.01 -3.45 0.02 0.00 0.35 0.00 0.00 41.96 38.89 1xdx s TYR 35 CO 0.25 -0.84 -0.05 -1.12 -1.34 0.00 0.00 175.55 172.45 1xdx s SER 36 N 1.98 1.83 0.25 4.32 0.01 -1.26 -5.03 113.70 115.79 1xdx s SER 36 Ca 0.28 -0.21 -0.04 0.00 1.31 0.00 0.00 55.95 57.29 1xdx s SER 36 Cb -0.13 -0.67 0.37 0.00 0.21 0.00 0.00 66.02 65.79 1xdx s SER 36 CO 0.19 -0.12 1.87 -0.08 0.41 0.00 0.00 173.24 175.51 1xdx h GLU 37 N 8.01 1.05 -0.35 12.44 4.57 -1.97 0.73 114.58 139.06 1xdx h GLU 37 Ca -0.28 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 57.92 1xdx h GLU 37 Cb 1.14 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.47 1xdx h GLU 37 CO 0.37 0.69 0.24 0.00 -1.18 0.00 0.00 179.01 179.14 1xdx h ALA 38 N 1.43 2.18 0.00 2.92 0.00 -2.03 -0.80 119.26 122.96 1xdx h ALA 38 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1xdx h ALA 38 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xdx h ALA 38 CO -0.17 -0.27 -1.60 1.63 0.00 0.00 0.00 179.25 178.84 1xdx n LYS 39 N -4.46 0.48 -0.11 0.00 4.01 -0.38 -4.12 118.16 113.58 1xdx n LYS 39 Ca 0.05 -0.11 0.27 0.00 -0.51 0.00 0.00 58.31 58.01 1xdx n LYS 39 Cb 0.34 -1.55 0.70 0.00 -0.51 0.00 0.00 35.03 34.01 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 0.35 0.00 -0.18 2.07 0.20 1.08 116.25 119.77 1xdx h VAL 40 Ca 0.00 0.00 -0.40 0.00 0.82 0.00 0.00 66.70 67.12 1xdx h VAL 40 Cb 0.87 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 1xdx h VAL 40 CO 0.00 0.00 -2.48 -1.20 0.02 0.00 0.00 177.57 173.91 1xdx n SER 41 N -3.85 1.98 0.08 0.57 7.64 -1.24 -4.11 113.62 114.70 1xdx n SER 41 Ca 0.17 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1xdx n SER 41 Cb 0.99 -0.45 0.31 0.00 -1.01 0.00 0.00 64.21 64.05 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 -0.09 0.30 0.24 1.43 1.08 -1.38 -3.05 115.11 113.64 1xdx h GLN 42 Ca -0.59 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 56.51 1xdx h GLN 42 Cb 1.87 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.28 1xdx h GLN 42 CO -0.12 0.50 -0.12 -1.49 -0.95 0.00 0.00 178.83 176.65 1xdx h TRP 43 N 0.28 -0.30 -0.36 2.96 -0.00 0.96 -2.38 115.95 117.09 1xdx h TRP 43 Ca 0.05 -0.01 0.11 0.00 -0.00 0.00 0.00 58.89 59.04 1xdx h TRP 43 Cb 0.52 0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 29.77 1xdx h TRP 43 CO 0.01 -0.03 0.41 0.00 -0.00 0.00 0.00 178.44 178.83 1xdx h THR 44 N -0.56 0.38 -0.14 1.49 1.03 -1.69 0.98 112.91 114.41 1xdx h THR 44 Ca -0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 66.41 66.16 1xdx h THR 44 Cb 0.41 0.67 0.01 0.00 -1.07 0.00 0.00 68.15 68.17 1xdx h THR 44 CO 0.05 0.00 -0.72 -1.28 -0.01 0.00 0.00 175.52 173.57 1xdx h SER 45 N 0.00 0.87 -0.27 0.00 0.87 -1.38 -1.64 113.55 112.00 1xdx h SER 45 Ca 0.17 -0.64 -0.04 0.00 -1.23 0.00 0.00 61.79 60.05 1xdx h SER 45 Cb 0.98 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1xdx h SER 45 CO -0.00 1.36 0.04 0.28 -0.53 0.00 0.00 176.83 177.98 1xdx h SER 46 N 0.43 0.51 -0.72 6.23 0.02 0.13 -0.67 113.55 119.48 1xdx h SER 46 Ca -0.05 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1xdx h SER 46 Cb 1.35 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.72 1xdx h SER 46 CO 0.15 0.55 0.46 0.00 -1.14 0.00 0.00 176.83 176.85 1xdx h LEU 48 N 0.90 0.77 -0.19 0.00 4.07 -0.19 0.96 115.31 121.65 1xdx h LEU 48 Ca 0.28 -0.12 -0.21 0.00 0.08 0.00 0.00 57.88 57.91 1xdx h LEU 48 Cb -0.02 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 1xdx h LEU 48 CO -0.10 0.73 -0.94 -0.08 -1.08 0.00 0.00 178.44 176.97 1xdx h GLU 49 N 0.82 0.16 -0.03 1.13 4.81 -0.21 0.47 114.58 121.74 1xdx h GLU 49 Ca 0.19 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1xdx h GLU 49 Cb 0.23 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1xdx h GLU 49 CO -0.01 0.99 0.00 0.72 -0.73 0.00 0.00 179.01 179.98 1xdx n HIS 50 N -3.59 0.03 -0.08 0.92 8.25 0.30 -1.69 115.22 119.36 1xdx n HIS 50 Ca -0.04 -0.02 -0.15 0.00 -0.26 0.00 0.00 57.72 57.25 1xdx n HIS 50 Cb 0.86 0.00 -0.06 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 -0.41 1.13 -0.51 0.00 -0.00 -0.97 -1.45 117.51 115.29 1xdx h ILE 52 Ca -0.39 -0.34 0.03 0.00 -0.00 0.00 0.00 64.86 64.16 1xdx h ILE 52 Cb 1.41 0.80 -0.03 0.00 -0.00 0.00 0.00 36.82 39.00 1xdx h ILE 52 CO -0.19 0.13 0.34 0.11 -0.00 0.00 0.00 178.15 178.54 1xdx h LYS 53 N 0.38 0.57 -0.13 2.19 6.56 -1.54 -1.71 116.57 122.88 1xdx h LYS 53 Ca 0.11 -0.03 -0.05 0.00 -1.06 0.00 0.00 60.65 59.62 1xdx h LYS 53 Cb 0.06 -0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 31.59 1xdx h LYS 53 CO -0.02 0.38 -0.11 0.00 -2.06 0.00 0.00 179.45 177.64 1xdx h ARG 54 N 0.59 0.31 0.00 3.15 2.47 -1.59 -2.25 114.38 117.06 1xdx h ARG 54 Ca 0.21 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 1xdx h ARG 54 Cb 0.09 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1xdx h ARG 54 CO -0.05 0.68 -0.03 -0.07 0.56 0.00 0.00 179.97 181.06 1xdx h LEU 55 N -0.06 0.00 -0.42 3.04 3.38 -0.74 -0.38 115.31 120.13 1xdx h LEU 55 Ca 0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 1xdx h LEU 55 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1xdx h LEU 55 CO 0.03 0.03 -0.78 0.71 0.09 0.00 0.00 178.44 178.52 1xdx h THR 56 N 0.00 1.48 -0.24 0.22 1.35 -1.19 0.28 112.91 114.82 1xdx h THR 56 Ca -0.00 -2.45 -0.12 0.00 -0.55 0.00 0.00 66.41 63.29 1xdx h THR 56 Cb 0.05 2.33 -0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1xdx h THR 56 CO 0.00 0.71 -0.31 0.00 -0.25 0.00 0.00 175.52 175.67 1xdx h ALA 57 N 1.09 0.36 0.00 6.62 0.00 -0.51 -3.18 119.26 123.65 1xdx h ALA 57 Ca -0.03 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 1xdx h ALA 57 Cb 1.37 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1xdx h ALA 57 CO 0.12 0.39 -0.80 -0.07 0.00 0.00 0.00 179.25 178.89 1xdx h LEU 58 N 0.34 0.00 -3.33 0.00 4.07 -1.23 -3.49 115.31 111.67 1xdx h LEU 58 Ca 0.03 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.66 1xdx h LEU 58 Cb 0.89 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.65 1xdx h LEU 58 CO 0.07 0.76 -1.03 -0.46 -1.08 0.00 0.00 178.44 176.70 1xdx n ASN 59 N -3.27 -5.89 -3.21 -0.43 0.23 0.99 -5.02 115.26 98.67 1xdx n ASN 59 Ca 0.00 -0.18 0.04 0.00 -0.53 0.00 0.00 54.58 53.91 1xdx n ASN 59 Cb 0.84 -2.42 -0.04 0.00 -2.08 0.00 0.00 39.78 36.09 1xdx n ASN 59 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1xdx s LYS 60 N -2.92 0.09 0.00 -3.83 -2.85 -1.26 -4.86 119.74 104.11 1xdx s LYS 60 Ca 0.28 0.20 0.00 0.00 -1.00 0.00 0.00 55.97 55.46 1xdx s LYS 60 Cb -0.04 0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.85 1xdx s LYS 60 CO 0.86 -0.04 0.18 -0.35 0.10 0.00 0.00 175.35 176.10 1xdx n PRO 61 N 4.82 0.00 0.00 1.78 -0.04 -1.26 -4.98 135.00 135.32 1xdx n PRO 61 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1xdx n PRO 61 Cb 0.55 -0.66 0.00 0.00 -0.04 0.00 0.00 33.50 33.35 1xdx n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xdx n PHE 62 N -0.47 -0.20 -3.15 0.54 3.72 -1.26 -4.99 117.46 111.65 1xdx n PHE 62 Ca 0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 1xdx n PHE 62 Cb 0.00 0.29 -0.06 0.00 -0.94 0.00 0.00 39.48 38.77 1xdx n PHE 62 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1xdx s LYS 63 N -0.57 4.31 0.03 -1.08 1.02 -0.97 -4.88 119.74 117.59 1xdx s LYS 63 Ca 0.00 0.65 0.02 0.00 0.02 0.00 0.00 55.97 56.66 1xdx s LYS 63 Cb 0.00 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 1xdx s LYS 63 CO 0.00 -0.05 -0.07 0.71 -0.92 0.00 0.00 175.35 175.01 1xdx s TYR 64 N 1.26 0.65 -0.03 3.18 2.02 -1.26 0.29 117.35 123.46 1xdx s TYR 64 Ca 0.30 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.68 1xdx s TYR 64 Cb -0.16 -0.40 -0.03 0.00 -0.40 0.00 0.00 41.96 40.97 1xdx s TYR 64 CO 0.13 -0.05 -0.05 0.08 -1.57 0.00 0.00 175.55 174.09 1xdx s VAL 65 N -0.88 3.80 -0.22 0.71 1.01 0.16 -4.92 120.40 120.05 1xdx s VAL 65 Ca -0.05 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1xdx s VAL 65 Cb -0.07 -2.62 0.07 0.00 0.00 0.00 0.00 36.38 33.76 1xdx s VAL 65 CO 0.00 0.49 0.04 -0.69 0.00 0.00 0.00 175.10 174.94 1xdx s VAL 66 N -0.93 0.63 0.08 2.92 1.01 -1.26 -0.86 120.40 121.99 1xdx s VAL 66 Ca 0.15 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1xdx s VAL 66 Cb -0.11 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1xdx s VAL 66 CO 0.05 -0.30 -0.06 0.28 0.00 0.00 0.00 175.10 175.07 1xdx s THR 67 N 1.79 0.57 0.04 3.92 -1.32 -0.41 -4.94 115.64 115.29 1xdx s THR 67 Ca 0.01 -1.69 -0.17 0.00 -1.21 0.00 0.00 61.69 58.62 1xdx s THR 67 Cb -0.17 -1.37 0.03 0.00 -1.51 0.00 0.00 72.50 69.48 1xdx s THR 67 CO -0.12 -0.77 0.39 0.00 -2.21 0.00 0.00 174.62 171.91 1xdx s ILE 69 N -2.36 0.78 -0.25 0.00 1.01 0.17 -4.97 121.20 115.58 1xdx s ILE 69 Ca -0.06 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 1xdx s ILE 69 Cb -0.01 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 1xdx s ILE 69 CO -0.02 0.24 0.09 0.27 0.00 0.00 0.00 174.94 175.53 1xdx s ILE 70 N 0.14 4.53 -0.24 2.92 -0.00 -1.26 -1.19 121.20 126.10 1xdx s ILE 70 Ca -0.02 -0.10 -0.05 0.00 -0.00 0.00 0.00 60.65 60.47 1xdx s ILE 70 Cb -0.08 -3.12 -0.01 0.00 -0.00 0.00 0.00 42.46 39.24 1xdx s ILE 70 CO 0.00 0.33 0.01 -0.04 -0.00 0.00 0.00 174.94 175.24 1xdx s MET 71 N 1.60 3.44 0.71 0.37 -1.94 -0.28 -5.04 119.30 118.16 1xdx s MET 71 Ca 0.06 -0.60 -0.16 0.00 -1.71 0.00 0.00 55.69 53.28 1xdx s MET 71 Cb -0.15 -3.17 -0.00 0.00 2.01 0.00 0.00 34.83 33.51 1xdx s MET 71 CO 0.05 -0.23 0.90 0.94 -0.01 0.00 0.00 175.02 176.67 1xdx n GLN 72 N 4.85 0.50 -1.52 2.03 7.27 -1.26 -1.58 117.38 127.68 1xdx n GLN 72 Ca -0.17 0.22 -0.32 0.00 0.07 0.00 0.00 57.00 56.81 1xdx n GLN 72 Cb 0.51 -2.16 -0.14 0.00 2.41 0.00 0.00 30.24 30.86 1xdx n GLN 72 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1xdx n LYS 73 N -1.63 0.27 0.00 3.69 0.00 -1.26 -4.38 118.16 114.84 1xdx n LYS 73 Ca 0.13 -0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1xdx n LYS 73 Cb 0.49 -2.01 0.00 0.00 -0.00 0.00 0.00 35.03 33.51 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 11.26 0.00 0.00 -5.58 0.23 -1.26 -4.55 115.26 115.37 1xdx n ASN 74 Ca 0.59 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.64 1xdx n ASN 74 Cb 0.21 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 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 0.00 3.79 4.83 0.00 -1.26 -4.28 105.19 108.26 1xdx n GLY 75 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.06 3.46 -0.22 4.61 0.00 -1.26 -5.06 121.76 123.22 1xdx s ALA 76 Ca 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 1xdx s ALA 76 Cb 0.00 -2.91 0.07 0.00 0.00 0.00 0.00 23.12 20.28 1xdx s ALA 76 CO 0.00 0.31 0.03 0.20 0.00 0.00 0.00 175.76 176.30 1xdx s GLY 77 N -1.21 0.83 -0.03 0.00 0.00 -1.26 -4.78 107.32 100.87 1xdx s GLY 77 Ca 0.36 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 44.19 1xdx s GLY 77 CO 0.25 1.40 -0.15 -2.27 0.00 0.00 0.00 173.10 172.32 1xdx s LEU 78 N 1.77 2.69 0.05 0.66 0.20 -1.26 -5.13 118.68 117.66 1xdx s LEU 78 Ca 0.00 -0.25 0.07 0.00 0.69 0.00 0.00 54.13 54.64 1xdx s LEU 78 Cb -0.17 -1.55 -0.03 0.00 -0.43 0.00 0.00 46.19 44.00 1xdx s LEU 78 CO -0.11 0.32 -0.17 -1.00 -0.29 0.00 0.00 176.35 175.10 1xdx s HIS 79 N -0.78 2.57 0.13 5.38 3.76 -1.26 -5.14 115.29 119.96 1xdx s HIS 79 Ca 0.12 -0.24 0.08 0.00 -0.15 0.00 0.00 55.06 54.87 1xdx s HIS 79 Cb -0.11 -1.45 -0.04 0.00 1.11 0.00 0.00 32.58 32.09 1xdx s HIS 79 CO 0.02 0.28 -0.18 0.99 -0.85 0.00 0.00 174.74 175.00 1xdx s THR 80 N -0.97 1.65 0.05 1.30 2.01 -1.26 -5.16 115.64 113.27 1xdx s THR 80 Ca 0.15 -1.75 0.02 0.00 0.31 0.00 0.00 61.69 60.42 1xdx s THR 80 Cb -0.11 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 1xdx s THR 80 CO 0.06 -0.27 -0.07 0.00 -0.69 0.00 0.00 174.62 173.66 1xdx s ALA 81 N -1.80 0.55 -0.06 7.40 0.00 -1.26 -5.16 121.76 121.43 1xdx s ALA 81 Ca 0.11 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.95 1xdx s ALA 81 Cb -0.07 0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.20 1xdx s ALA 81 CO 0.05 -0.08 0.64 0.00 0.00 0.00 0.00 175.76 176.37 1xdx s ALA 82 N -1.77 -1.67 -0.12 0.00 0.00 -1.26 -5.14 121.76 111.80 1xdx s ALA 82 Ca -0.08 1.25 -0.04 0.00 0.00 0.00 0.00 51.96 53.10 1xdx s ALA 82 Cb -0.07 -0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.06 1xdx s ALA 82 CO -0.01 -0.36 0.18 0.45 0.00 0.00 0.00 175.76 176.03 1xdx s SER 83 N -1.13 0.95 0.11 0.00 0.15 -1.26 -5.16 113.70 107.36 1xdx s SER 83 Ca -0.11 0.18 0.05 0.00 0.70 0.00 0.00 55.95 56.77 1xdx s SER 83 Cb -0.01 0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 1xdx s SER 83 CO 0.09 -0.27 0.01 0.00 1.20 0.00 0.00 173.24 174.27 1xdx n TRP 85 N 0.40 -0.64 -3.14 0.00 -0.00 -1.26 -5.01 117.44 107.80 1xdx n TRP 85 Ca -0.10 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.01 1xdx n TRP 85 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.78 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 -0.13 3.78 0.00 5.87 0.52 -1.26 -5.02 118.94 122.70 1xdx s TRP 86 Ca 0.00 1.37 0.00 0.00 0.02 0.00 0.00 56.10 57.49 1xdx s TRP 86 Cb 0.00 -2.65 0.00 0.00 -1.15 0.00 0.00 33.47 29.67 1xdx s TRP 86 CO 0.00 0.44 0.00 -3.47 0.02 0.00 0.00 176.95 173.94 1xdx n ASP 87 N 2.19 0.00 0.05 2.95 -0.08 -1.26 -5.05 116.55 115.35 1xdx n ASP 87 Ca -0.07 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.13 1xdx n ASP 87 Cb 0.50 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.84 1xdx n ASP 87 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1xdx h SER 88 N 0.00 0.05 -0.18 1.67 0.02 -2.00 -3.35 113.55 109.77 1xdx h SER 88 Ca 0.00 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1xdx h SER 88 Cb 0.00 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1xdx h SER 88 CO 0.00 1.05 0.05 0.00 -1.14 0.00 0.00 176.83 176.79 1xdx h THR 89 N 0.01 1.20 -1.25 -2.27 1.03 -1.97 -3.27 112.91 106.39 1xdx h THR 89 Ca -0.08 -0.63 -0.75 0.00 -0.01 0.00 0.00 66.41 64.94 1xdx h THR 89 Cb 1.84 1.27 -0.14 0.00 -1.07 0.00 0.00 68.15 70.06 1xdx h THR 89 CO 0.13 0.19 2.20 0.35 -0.01 0.00 0.00 175.52 178.39 1xdx n THR 90 N -4.80 4.58 -3.90 0.00 -2.24 -1.25 0.28 114.28 106.94 1xdx n THR 90 Ca -0.04 -4.31 -0.22 0.00 -2.27 0.00 0.00 64.05 57.21 1xdx n THR 90 Cb 0.16 -2.29 -0.17 0.00 -2.10 0.00 0.00 70.33 65.93 1xdx n THR 90 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xdx s ASP 91 N 0.78 1.39 0.00 3.42 -1.08 -1.24 -4.90 116.67 115.04 1xdx s ASP 91 Ca 0.44 -0.11 0.00 0.00 -0.52 0.00 0.00 52.55 52.36 1xdx s ASP 91 Cb 0.12 -0.46 0.00 0.00 -1.46 0.00 0.00 42.92 41.12 1xdx s ASP 91 CO -0.03 -0.14 0.00 0.61 0.52 0.00 0.00 175.17 176.13 1xdx n GLY 92 N 4.76 -1.89 2.31 2.66 0.00 -1.22 -4.56 105.19 107.25 1xdx n GLY 92 Ca -0.14 0.52 -0.00 0.00 0.00 0.00 0.00 46.02 46.40 1xdx n GLY 92 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xdx n SER 93 N -1.78 -3.35 -3.46 1.61 7.64 -1.24 -4.78 113.62 108.26 1xdx n SER 93 Ca 0.00 1.19 -0.22 0.00 1.01 0.00 0.00 58.87 60.85 1xdx n SER 93 Cb 0.00 -2.51 -0.12 0.00 -1.01 0.00 0.00 64.21 60.57 1xdx n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xdx s ARG 94 N -0.16 0.26 0.22 1.43 1.70 0.92 -4.95 118.95 118.36 1xdx s ARG 94 Ca -0.02 -0.31 -0.08 0.00 -0.47 0.00 0.00 55.73 54.85 1xdx s ARG 94 Cb 0.00 -0.88 -0.07 0.00 -0.57 0.00 0.00 34.95 33.43 1xdx s ARG 94 CO 0.05 -1.02 0.52 -0.08 -1.08 0.00 0.00 175.30 173.69 1xdx s THR 95 N 2.25 4.99 0.04 4.99 -1.32 -1.26 0.04 115.64 125.36 1xdx s THR 95 Ca 0.09 0.35 0.05 0.00 -1.21 0.00 0.00 61.69 60.98 1xdx s THR 95 Cb -0.15 -3.63 -0.02 0.00 -1.51 0.00 0.00 72.50 67.19 1xdx s THR 95 CO -0.34 -0.07 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.16 1xdx s VAL 96 N -1.81 1.16 -0.25 5.08 1.01 0.15 -1.97 120.40 123.77 1xdx s VAL 96 Ca 0.46 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1xdx s VAL 96 Cb -0.11 -1.05 0.06 0.00 0.00 0.00 0.00 36.38 35.27 1xdx s VAL 96 CO 0.22 0.01 -0.11 -0.60 0.00 0.00 0.00 175.10 174.62 1xdx s ARG 97 N -1.18 2.21 0.09 2.72 6.06 -1.26 -0.72 118.95 126.88 1xdx s ARG 97 Ca 0.02 -1.30 -0.02 0.00 -2.50 0.00 0.00 55.73 51.93 1xdx s ARG 97 Cb -0.08 -2.85 -0.05 0.00 0.06 0.00 0.00 34.95 32.03 1xdx s ARG 97 CO 0.01 -0.56 0.28 -1.58 -2.50 0.00 0.00 175.30 170.95 1xdx s TRP 98 N 1.13 3.50 -0.10 5.12 0.23 0.97 -4.23 118.94 125.56 1xdx s TRP 98 Ca -0.08 0.36 -0.08 0.00 -2.03 0.00 0.00 56.10 54.27 1xdx s TRP 98 Cb -0.20 -1.85 0.03 0.00 0.03 0.00 0.00 33.47 31.49 1xdx s TRP 98 CO -0.05 0.53 0.26 -1.21 0.96 0.00 0.00 176.95 177.44 1xdx s GLU 99 N -2.59 0.28 0.00 4.98 2.02 -1.25 -1.10 118.70 121.04 1xdx s GLU 99 Ca 0.37 0.44 0.00 0.00 0.02 0.00 0.00 54.97 55.81 1xdx s GLU 99 Cb -0.13 0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.15 1xdx s GLU 99 CO 0.27 -0.09 0.00 0.27 0.02 0.00 0.00 175.26 175.73 1xdx n ASN 100 N 3.45 0.00 -0.00 -0.19 6.94 -1.25 -1.02 115.26 123.19 1xdx n ASN 100 Ca -0.18 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.38 1xdx n ASN 100 Cb 0.56 -0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.98 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 -1.28 0.92 0.00 -3.83 -0.00 -1.26 -0.48 118.16 112.23 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 0.00 -1.00 0.00 0.00 -0.00 0.00 0.00 35.03 34.03 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 -2.39 0.00 -4.72 -5.58 2.88 -1.26 -4.86 113.62 97.69 1xdx n SER 102 Ca -0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1xdx n SER 102 Cb 0.50 0.16 0.13 0.00 -0.75 0.00 0.00 64.21 64.25 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 -1.56 1.35 -0.03 -1.46 1.75 -1.26 -4.29 119.30 113.80 1xdx s MET 103 Ca 0.00 0.88 0.04 0.00 -1.25 0.00 0.00 55.69 55.36 1xdx s MET 103 Cb 0.00 -1.81 -0.00 0.00 2.84 0.00 0.00 34.83 35.85 1xdx s MET 103 CO 0.00 -2.20 -0.14 0.71 -0.65 0.00 0.00 175.02 172.75 1xdx s TYR 104 N -2.92 1.37 -0.26 4.11 2.02 -0.61 -3.77 117.35 117.29 1xdx s TYR 104 Ca 0.63 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.99 1xdx s TYR 104 Cb -0.18 -0.94 0.06 0.00 -0.40 0.00 0.00 41.96 40.51 1xdx s TYR 104 CO 0.57 -0.13 -0.08 0.00 -1.57 0.00 0.00 175.55 174.34 1xdx s ILE 106 N 1.13 5.29 -0.04 0.00 2.07 -0.33 -0.02 121.20 129.29 1xdx s ILE 106 Ca -0.06 0.14 -0.01 0.00 -1.41 0.00 0.00 60.65 59.30 1xdx s ILE 106 Cb -0.20 -3.36 0.03 0.00 0.13 0.00 0.00 42.46 39.07 1xdx s ILE 106 CO -0.06 0.52 0.05 0.00 -1.91 0.00 0.00 174.94 173.55 1xdx s THR 108 N 1.90 3.19 -0.09 0.00 -1.32 0.20 0.29 115.64 119.81 1xdx s THR 108 Ca 0.02 -1.49 0.01 0.00 -1.21 0.00 0.00 61.69 59.02 1xdx s THR 108 Cb -0.12 -2.53 0.02 0.00 -1.51 0.00 0.00 72.50 68.36 1xdx s THR 108 CO -0.03 0.01 -0.09 -0.69 -2.21 0.00 0.00 174.62 171.61 1xdx s VAL 109 N -1.42 1.01 -0.44 5.08 1.01 0.11 -1.29 120.40 124.46 1xdx s VAL 109 Ca 0.22 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 1xdx s VAL 109 Cb -0.10 -0.99 0.10 0.00 0.00 0.00 0.00 36.38 35.39 1xdx s VAL 109 CO 0.14 0.35 0.30 -0.36 0.00 0.00 0.00 175.10 175.53 1xdx s PHE 110 N 1.24 3.39 -0.86 5.22 0.40 -0.04 -0.06 117.98 127.28 1xdx s PHE 110 Ca -0.04 -1.74 -0.24 0.00 -0.60 0.00 0.00 56.93 54.31 1xdx s PHE 110 Cb -0.14 -3.24 0.06 0.00 0.51 0.00 0.00 43.02 40.21 1xdx s PHE 110 CO -0.03 -0.93 1.28 0.20 0.70 0.00 0.00 175.22 176.44 1xdx s GLY 111 N 2.39 1.23 -0.22 4.36 0.00 -1.26 0.36 107.32 114.18 1xdx s GLY 111 Ca 0.05 -1.95 -0.15 0.00 0.00 0.00 0.00 44.72 42.66 1xdx s GLY 111 CO 0.00 2.49 0.39 1.08 0.00 0.00 0.00 173.10 177.07 1xdx s LEU 112 N 4.82 4.12 -1.12 0.66 1.02 0.15 -3.45 118.68 124.87 1xdx s LEU 112 Ca 0.37 0.44 -0.25 0.00 0.02 0.00 0.00 54.13 54.71 1xdx s LEU 112 Cb -0.06 -2.48 -0.18 0.00 0.02 0.00 0.00 46.19 43.49 1xdx s LEU 112 CO 0.02 -0.11 2.05 0.00 0.02 0.00 0.00 176.35 178.34 1xdx s ALA 113 N 1.53 0.93 0.00 4.21 0.00 0.14 -2.29 121.76 126.28 1xdx s ALA 113 Ca 0.18 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1xdx s ALA 113 Cb -0.15 -4.69 0.00 0.00 0.00 0.00 0.00 23.12 18.28 1xdx s ALA 113 CO 0.08 -6.35 0.00 -0.89 0.00 0.00 0.00 175.76 168.60