#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lor s ALA 7 N 0.00 3.58 0.56 -2.53 0.00 -1.26 -5.01 121.76 117.11 3lor s ALA 7 Ca 0.00 1.19 -0.18 0.00 0.00 0.00 0.00 51.96 52.97 3lor s ALA 7 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 3lor s ALA 7 CO 0.00 -0.62 1.09 -1.25 0.00 0.00 0.00 175.76 174.98 3lor s PRO 8 N 0.11 3.35 0.67 0.00 0.05 -1.26 -4.71 135.00 133.21 3lor s PRO 8 Ca 0.60 1.42 -0.13 0.00 0.05 0.00 0.00 61.00 62.94 3lor s PRO 8 Cb -0.38 -2.02 -0.00 0.00 0.05 0.00 0.00 34.50 32.14 3lor s PRO 8 CO 0.38 -0.82 1.07 -0.51 0.05 0.00 0.00 177.00 177.17 3lor s LEU 9 N -4.07 3.28 -0.30 -3.56 1.43 -1.26 -0.52 118.68 113.67 3lor s LEU 9 Ca 0.68 1.79 -0.20 0.00 -1.03 0.00 0.00 54.13 55.37 3lor s LEU 9 Cb -0.20 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.49 3lor s LEU 9 CO 0.30 -1.49 0.63 -0.22 0.23 0.00 0.00 176.35 175.80 3lor s LEU 10 N -5.14 4.14 -0.30 1.79 2.96 -0.34 -4.72 118.68 117.06 3lor s LEU 10 Ca 0.62 0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 54.96 3lor s LEU 10 Cb -0.16 -2.81 0.10 0.00 0.50 0.00 0.00 46.19 43.81 3lor s LEU 10 CO 0.47 -0.47 0.10 -1.61 -1.32 0.00 0.00 176.35 173.51 3lor s GLU 11 N 2.59 0.68 0.15 1.98 2.02 -1.26 -4.95 118.70 119.91 3lor s GLU 11 Ca 0.25 -1.02 -0.30 0.00 0.02 0.00 0.00 54.97 53.92 3lor s GLU 11 Cb -0.15 -1.94 -0.07 0.00 0.10 0.00 0.00 34.13 32.07 3lor s GLU 11 CO 0.12 -0.98 1.01 -0.51 0.02 0.00 0.00 175.26 174.92 3lor s LEU 12 N 1.65 4.51 -0.37 1.80 1.43 -1.26 -4.96 118.68 121.48 3lor s LEU 12 Ca 0.09 1.91 -0.09 0.00 -1.03 0.00 0.00 54.13 55.01 3lor s LEU 12 Cb -0.17 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.49 3lor s LEU 12 CO -0.25 -0.10 0.19 -1.81 0.23 0.00 0.00 176.35 174.61 3lor s ASP 13 N -0.15 5.61 -0.15 2.29 1.01 -1.26 -5.07 116.67 118.95 3lor s ASP 13 Ca 0.47 -1.13 0.01 0.00 0.71 0.00 0.00 52.55 52.61 3lor s ASP 13 Cb -0.26 -1.98 0.02 0.00 1.01 0.00 0.00 42.92 41.71 3lor s ASP 13 CO 0.32 -0.40 -0.18 -0.69 0.21 0.00 0.00 175.17 174.43 3lor s VAL 14 N 1.49 1.82 0.08 -1.27 1.01 -1.26 -4.49 120.40 117.78 3lor s VAL 14 Ca 0.01 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 3lor s VAL 14 Cb -0.20 -1.65 -0.09 0.00 0.00 0.00 0.00 36.38 34.44 3lor s VAL 14 CO 0.05 0.50 1.48 -0.61 0.00 0.00 0.00 175.10 176.52 3lor h GLN 15 N 7.74 0.47 -2.52 2.72 4.15 -1.12 -3.47 115.11 123.07 3lor h GLN 15 Ca -0.38 -0.17 -0.05 0.00 0.77 0.00 0.00 58.65 58.82 3lor h GLN 15 Cb 1.16 -0.03 -0.16 0.00 0.21 0.00 0.00 27.48 28.65 3lor h GLN 15 CO 0.56 0.68 0.14 -1.83 -1.93 0.00 0.00 178.83 176.45 3lor s GLU 16 N -4.81 1.10 -0.31 1.69 -1.05 -1.24 -5.00 118.70 109.07 3lor s GLU 16 Ca -0.14 -0.09 -0.13 0.00 -0.15 0.00 0.00 54.97 54.46 3lor s GLU 16 Cb 0.07 0.51 -0.03 0.00 -0.44 0.00 0.00 34.13 34.25 3lor s GLU 16 CO 0.76 -0.40 0.28 -1.58 0.95 0.00 0.00 175.26 175.27 3lor s TRP 17 N -2.24 3.22 -0.28 4.83 0.52 -1.26 -1.75 118.94 121.98 3lor s TRP 17 Ca -0.06 0.02 0.23 0.00 0.02 0.00 0.00 56.10 56.30 3lor s TRP 17 Cb -0.01 -2.51 0.08 0.00 -1.15 0.00 0.00 33.47 29.88 3lor s TRP 17 CO 0.00 -0.30 1.17 0.28 0.02 0.00 0.00 176.95 178.12 3lor h VAL 18 N 5.46 0.00 0.00 4.03 2.07 -1.72 -3.38 116.25 122.70 3lor h VAL 18 Ca -0.32 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.20 3lor h VAL 18 Cb 1.16 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3lor h VAL 18 CO 0.63 0.00 -0.35 -0.46 0.02 0.00 0.00 177.57 177.41 3lor n ASN 19 N -2.77 0.00 -3.74 0.57 6.94 -1.26 -5.03 115.26 109.97 3lor n ASN 19 Ca 0.01 -1.70 -0.09 0.00 -0.02 0.00 0.00 54.58 52.78 3lor n ASN 19 Cb 0.55 -0.14 -0.02 0.00 -2.36 0.00 0.00 39.78 37.80 3lor n ASN 19 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 3lor s HIS 20 N 0.00 -0.24 0.37 -2.53 5.04 -1.26 -4.91 115.29 111.76 3lor s HIS 20 Ca 0.00 -0.13 -0.26 0.00 -1.54 0.00 0.00 55.06 53.13 3lor s HIS 20 Cb 0.00 0.59 -0.09 0.00 0.04 0.00 0.00 32.58 33.12 3lor s HIS 20 CO 0.00 -1.08 1.13 -1.83 -2.34 0.00 0.00 174.74 170.62 3lor s GLU 21 N -3.87 4.24 0.74 2.88 1.03 -1.26 -4.77 118.70 117.68 3lor s GLU 21 Ca 0.09 1.77 -0.14 0.00 0.03 0.00 0.00 54.97 56.71 3lor s GLU 21 Cb -0.04 -2.79 0.04 0.00 -0.80 0.00 0.00 34.13 30.55 3lor s GLU 21 CO 0.00 -0.14 1.16 0.20 -1.33 0.00 0.00 175.26 175.15 3lor s GLY 22 N -1.15 2.14 -0.15 -3.83 0.00 -1.26 -5.00 107.32 98.07 3lor s GLY 22 Ca 0.54 0.68 -0.01 0.00 0.00 0.00 0.00 44.72 45.93 3lor s GLY 22 CO 0.37 1.07 -0.11 1.08 0.00 0.00 0.00 173.10 175.50 3lor s LEU 23 N -5.32 2.74 0.80 0.66 1.02 -1.26 -5.10 118.68 112.21 3lor s LEU 23 Ca 0.70 -0.35 -0.12 0.00 0.02 0.00 0.00 54.13 54.38 3lor s LEU 23 Cb -0.24 -1.64 0.07 0.00 0.02 0.00 0.00 46.19 44.40 3lor s LEU 23 CO 0.47 0.12 1.11 -0.94 0.02 0.00 0.00 176.35 177.13 3lor s SER 24 N 0.64 4.56 0.20 2.29 1.04 -1.26 -4.95 113.70 116.22 3lor s SER 24 Ca -0.06 1.14 -0.09 0.00 0.48 0.00 0.00 55.95 57.41 3lor s SER 24 Cb -0.15 -1.83 0.13 0.00 0.10 0.00 0.00 66.02 64.26 3lor s SER 24 CO 0.03 -1.91 1.77 0.78 0.98 0.00 0.00 173.24 174.89 3lor h ASN 25 N -1.05 0.99 0.24 7.02 2.35 -1.99 -2.60 115.58 120.54 3lor h ASN 25 Ca -0.47 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.09 3lor h ASN 25 Cb 1.28 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 39.39 3lor h ASN 25 CO 0.62 0.88 -0.13 -0.33 -1.65 0.00 0.00 177.43 176.81 3lor h GLU 26 N 1.04 0.00 -0.59 0.81 3.07 -1.94 0.14 114.58 117.10 3lor h GLU 26 Ca 0.25 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.06 3lor h GLU 26 Cb 0.18 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 3lor h GLU 26 CO -0.02 0.13 0.20 -0.44 -1.40 0.00 0.00 179.01 177.47 3lor h ASP 27 N 0.00 0.86 0.74 1.42 5.19 -1.83 -3.22 116.42 119.57 3lor h ASP 27 Ca -0.00 -0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 3lor h ASP 27 Cb 0.28 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.57 3lor h ASP 27 CO 0.02 0.83 -0.48 0.18 -3.12 0.00 0.00 179.24 176.67 3lor n LEU 28 N -4.42 0.53 -4.77 1.55 4.77 0.31 -4.84 117.00 110.14 3lor n LEU 28 Ca 0.03 0.17 -0.40 0.00 -0.03 0.00 0.00 56.01 55.78 3lor n LEU 28 Cb 0.20 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 3lor n LEU 28 CO 0.40 0.03 1.00 -0.13 -1.33 0.00 0.00 177.39 177.36 3lor s ARG 29 N -3.07 4.04 0.00 3.23 1.81 -0.16 -2.19 118.95 122.61 3lor s ARG 29 Ca 0.09 2.26 0.00 0.00 -1.72 0.00 0.00 55.73 56.37 3lor s ARG 29 Cb 0.16 -2.85 0.00 0.00 -0.45 0.00 0.00 34.95 31.81 3lor s ARG 29 CO 0.69 -0.47 0.00 0.41 -0.68 0.00 0.00 175.30 175.25 3lor n GLY 30 N 0.66 0.79 3.18 -3.53 0.00 0.35 -5.00 105.19 101.64 3lor n GLY 30 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 3lor n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lor s LYS 31 N -0.19 0.85 0.16 1.61 1.02 -0.93 -4.90 119.74 117.36 3lor s LYS 31 Ca 0.00 -1.01 -0.30 0.00 0.02 0.00 0.00 55.97 54.68 3lor s LYS 31 Cb 0.00 -0.83 -0.07 0.00 -0.52 0.00 0.00 37.83 36.41 3lor s LYS 31 CO 0.00 0.18 1.05 0.08 -0.92 0.00 0.00 175.35 175.74 3lor s VAL 32 N -1.46 4.06 -0.10 3.17 1.01 -0.82 -3.58 120.40 122.68 3lor s VAL 32 Ca 0.00 1.77 0.01 0.00 0.00 0.00 0.00 61.98 63.77 3lor s VAL 32 Cb -0.09 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 3lor s VAL 32 CO 0.02 0.30 -0.13 -0.69 0.00 0.00 0.00 175.10 174.60 3lor s VAL 33 N -0.22 3.07 -0.24 2.92 1.01 -0.40 -1.73 120.40 124.81 3lor s VAL 33 Ca 0.48 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 3lor s VAL 33 Cb -0.27 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 33.87 3lor s VAL 33 CO 0.33 0.55 -0.06 -0.69 0.00 0.00 0.00 175.10 175.23 3lor s VAL 34 N -0.08 2.93 -0.29 2.92 1.01 -0.35 -1.54 120.40 124.99 3lor s VAL 34 Ca -0.02 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 3lor s VAL 34 Cb -0.14 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 3lor s VAL 34 CO 0.04 0.25 0.17 -0.69 0.00 0.00 0.00 175.10 174.86 3lor s VAL 35 N 1.35 4.95 -0.36 2.92 1.01 0.01 -0.84 120.40 129.44 3lor s VAL 35 Ca 0.01 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 3lor s VAL 35 Cb -0.16 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 3lor s VAL 35 CO -0.05 0.19 0.40 -0.70 0.00 0.00 0.00 175.10 174.94 3lor s GLU 36 N 1.69 3.45 -0.32 2.72 2.56 0.56 -1.38 118.70 128.00 3lor s GLU 36 Ca 0.06 -0.47 -0.14 0.00 0.00 0.00 0.00 54.97 54.42 3lor s GLU 36 Cb -0.16 -3.85 -0.02 0.00 2.00 0.00 0.00 34.13 32.10 3lor s GLU 36 CO 0.08 -0.62 0.32 0.08 -0.56 0.00 0.00 175.26 174.56 3lor s VAL 37 N 2.10 5.21 0.04 3.70 1.01 -0.25 -0.75 120.40 131.46 3lor s VAL 37 Ca 0.13 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 3lor s VAL 37 Cb -0.17 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3lor s VAL 37 CO 0.12 0.02 -0.01 0.72 0.00 0.00 0.00 175.10 175.96 3lor s PHE 38 N 1.95 0.38 0.00 5.22 -0.12 -0.66 -2.24 117.98 122.51 3lor s PHE 38 Ca 0.11 -0.80 0.00 0.00 -0.05 0.00 0.00 56.93 56.19 3lor s PHE 38 Cb -0.16 -0.28 0.00 0.00 -0.63 0.00 0.00 43.02 41.94 3lor s PHE 38 CO 0.11 -0.32 0.00 1.04 -0.05 0.00 0.00 175.22 176.00 3lor n GLN 39 N 0.71 3.48 -0.12 1.99 6.02 -1.26 -2.31 117.38 125.88 3lor n GLN 39 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 3lor n GLN 39 Cb 0.59 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.85 3lor n GLN 39 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3lor n LEU 41 N 0.00 0.00 -4.40 1.08 4.77 -1.26 -4.70 117.00 112.49 3lor n LEU 41 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 3lor n LEU 41 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 3lor n LEU 41 CO 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 177.39 175.70 3lor h PRO 43 N 7.53 1.16 -0.74 0.00 0.13 -1.97 0.29 132.00 138.40 3lor h PRO 43 Ca -0.36 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 3lor h PRO 43 Cb 1.18 -0.24 -0.03 0.00 0.13 0.00 0.00 31.00 32.03 3lor h PRO 43 CO 0.60 0.82 0.32 0.78 -0.23 0.00 0.00 178.00 180.30 3lor h GLY 44 N 1.19 1.17 0.73 1.56 0.00 -1.94 -0.80 103.07 104.99 3lor h GLY 44 Ca 0.31 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 3lor h GLY 44 CO -0.06 0.58 -0.01 0.00 0.00 0.00 0.00 176.54 177.06 3lor h VAL 46 N -0.15 1.29 -0.19 0.00 -1.51 -0.81 -1.18 116.25 113.71 3lor h VAL 46 Ca 0.02 -1.00 -0.10 0.00 -1.23 0.00 0.00 66.70 64.40 3lor h VAL 46 Cb 0.37 1.67 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 3lor h VAL 46 CO 0.01 0.29 -0.31 0.78 -1.23 0.00 0.00 177.57 177.11 3lor h ASN 47 N -0.04 0.37 0.00 4.19 2.35 -1.30 -3.41 115.58 117.74 3lor h ASN 47 Ca 0.03 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3lor h ASN 47 Cb 0.47 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3lor h ASN 47 CO 0.01 0.67 0.00 1.57 -1.65 0.00 0.00 177.43 178.03 3lor n HIS 48 N -4.10 -0.55 -0.14 1.19 -0.00 -0.91 -4.82 115.22 105.89 3lor n HIS 48 Ca -0.01 0.10 -0.08 0.00 0.46 0.00 0.00 57.72 58.18 3lor n HIS 48 Cb 0.42 0.13 -0.00 0.00 -0.12 0.00 0.00 29.99 30.42 3lor n HIS 48 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3lor h GLY 49 N 0.00 0.63 0.87 1.57 0.00 -1.24 -2.19 103.07 102.71 3lor h GLY 49 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 3lor h GLY 49 CO 0.00 0.29 0.06 -2.08 0.00 0.00 0.00 176.54 174.81 3lor h VAL 50 N 0.53 1.20 -0.84 4.60 2.07 -1.48 -1.82 116.25 120.51 3lor h VAL 50 Ca 0.14 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.05 3lor h VAL 50 Cb 0.09 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3lor h VAL 50 CO -0.02 0.20 0.56 -0.65 0.02 0.00 0.00 177.57 177.68 3lor h PRO 51 N 0.17 1.09 -0.76 1.57 0.11 -1.79 0.13 132.00 132.52 3lor h PRO 51 Ca 0.07 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3lor h PRO 51 Cb 0.25 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.08 3lor h PRO 51 CO -0.00 0.72 0.38 0.37 -0.21 0.00 0.00 178.00 179.26 3lor h GLN 52 N 1.12 1.09 -0.66 1.05 4.15 -1.23 -1.49 115.11 119.14 3lor h GLN 52 Ca 0.31 -0.15 -0.08 0.00 0.77 0.00 0.00 58.65 59.50 3lor h GLN 52 Cb -0.10 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.36 3lor h GLN 52 CO -0.07 0.84 0.11 0.00 -1.93 0.00 0.00 178.83 177.78 3lor h ALA 53 N 1.19 0.95 -0.71 3.38 0.00 -0.20 -2.53 119.26 121.35 3lor h ALA 53 Ca 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3lor h ALA 53 Cb 0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3lor h ALA 53 CO -0.04 0.66 0.37 1.96 0.00 0.00 0.00 179.25 182.20 3lor h GLN 54 N 1.02 1.00 -0.55 0.00 4.20 -0.56 -1.38 115.11 118.84 3lor h GLN 54 Ca 0.20 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3lor h GLN 54 Cb 0.42 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3lor h GLN 54 CO 0.01 0.76 0.35 -0.22 -0.67 0.00 0.00 178.83 179.07 3lor h LYS 55 N 0.98 0.73 -0.56 1.46 3.64 -1.17 -0.88 116.57 120.78 3lor h LYS 55 Ca 0.25 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 3lor h LYS 55 Cb 0.07 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3lor h LYS 55 CO -0.04 0.51 0.23 0.82 -2.27 0.00 0.00 179.45 178.70 3lor h ILE 56 N 0.74 1.22 -0.31 2.00 2.04 -0.90 -3.03 117.51 119.28 3lor h ILE 56 Ca 0.20 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3lor h ILE 56 Cb -0.06 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3lor h ILE 56 CO -0.04 0.26 0.13 -0.74 0.00 0.00 0.00 178.15 177.76 3lor h HIS 57 N 0.76 0.46 0.00 1.37 2.76 -0.68 -1.41 115.15 118.41 3lor h HIS 57 Ca 0.19 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3lor h HIS 57 Cb 0.18 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.00 3lor h HIS 57 CO 0.01 0.44 0.00 0.54 -1.30 0.00 0.00 177.93 177.61 3lor n ARG 58 N -4.74 0.22 -0.59 5.26 1.74 -0.39 -4.65 116.66 113.51 3lor n ARG 58 Ca -0.02 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.87 3lor n ARG 58 Cb 0.13 -1.17 -0.00 0.00 -1.02 0.00 0.00 32.46 30.39 3lor n ARG 58 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3lor n ILE 60 N 0.51 0.42 -2.60 0.55 5.41 -0.53 -5.10 119.36 118.01 3lor n ILE 60 Ca 0.00 -0.22 -0.27 0.00 1.00 0.00 0.00 62.75 63.25 3lor n ILE 60 Cb 0.07 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.00 3lor n ILE 60 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3lor s ASP 61 N -0.45 6.20 0.01 4.38 1.11 -1.26 -4.85 116.67 121.81 3lor s ASP 61 Ca 0.27 0.91 0.16 0.00 0.18 0.00 0.00 52.55 54.08 3lor s ASP 61 Cb -0.31 -2.20 0.70 0.00 1.07 0.00 0.00 42.92 42.18 3lor s ASP 61 CO 0.27 -0.63 1.52 -0.62 1.18 0.00 0.00 175.17 176.90 3lor n GLU 62 N -2.30 0.01 -0.17 8.23 1.02 -1.24 -0.36 120.64 125.83 3lor n GLU 62 Ca 0.01 0.23 -0.02 0.00 -0.02 0.00 0.00 57.16 57.36 3lor n GLU 62 Cb 0.55 -1.52 0.19 0.00 -0.02 0.00 0.00 31.44 30.65 3lor n GLU 62 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3lor h SER 63 N 0.00 0.83 0.00 1.62 4.64 -2.00 -3.36 113.55 115.29 3lor h SER 63 Ca 0.00 -0.11 -0.45 0.00 -0.47 0.00 0.00 61.79 60.75 3lor h SER 63 Cb 0.28 -0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 62.09 3lor h SER 63 CO 0.00 0.75 -2.52 0.00 -0.87 0.00 0.00 176.83 174.19 3lor n GLN 64 N -4.31 0.60 -4.09 4.77 1.13 0.51 -4.79 117.38 111.20 3lor n GLN 64 Ca 0.05 0.25 -0.16 0.00 -1.94 0.00 0.00 57.00 55.19 3lor n GLN 64 Cb 0.18 -1.50 -0.15 0.00 0.11 0.00 0.00 30.24 28.87 3lor n GLN 64 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3lor s VAL 65 N -2.51 0.35 -0.16 5.09 1.01 -0.58 -1.94 120.40 121.66 3lor s VAL 65 Ca -0.38 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 3lor s VAL 65 Cb 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 3lor s VAL 65 CO 0.51 0.13 -0.06 -1.58 0.00 0.00 0.00 175.10 174.11 3lor s GLN 66 N 0.33 3.58 -0.22 2.72 2.00 -0.71 -3.73 119.66 123.63 3lor s GLN 66 Ca -0.03 -0.57 -0.10 0.00 -2.00 0.00 0.00 55.36 52.66 3lor s GLN 66 Cb -0.07 -2.87 -0.05 0.00 0.80 0.00 0.00 33.01 30.83 3lor s GLN 66 CO -0.00 0.19 0.15 0.08 -0.50 0.00 0.00 175.29 175.20 3lor s VAL 67 N 0.49 5.37 -0.10 1.34 1.01 -1.26 -1.22 120.40 126.03 3lor s VAL 67 Ca -0.05 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.15 3lor s VAL 67 Cb -0.15 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3lor s VAL 67 CO 0.03 0.39 -0.22 -0.63 0.00 0.00 0.00 175.10 174.66 3lor s ILE 68 N 0.76 1.95 -0.06 2.22 1.01 -0.02 -4.00 121.20 123.06 3lor s ILE 68 Ca 0.08 -0.95 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 3lor s ILE 68 Cb -0.12 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 3lor s ILE 68 CO 0.02 0.54 0.41 -0.83 0.00 0.00 0.00 174.94 175.07 3lor s GLY 69 N 0.40 2.41 -0.21 6.18 0.00 0.19 -0.32 107.32 115.97 3lor s GLY 69 Ca -0.18 -0.25 0.01 0.00 0.00 0.00 0.00 44.72 44.30 3lor s GLY 69 CO 0.08 0.39 -0.07 -2.27 0.00 0.00 0.00 173.10 171.22 3lor s LEU 70 N -0.29 2.30 -0.49 0.66 2.96 0.07 -0.72 118.68 123.17 3lor s LEU 70 Ca 0.23 -0.98 -0.23 0.00 -0.22 0.00 0.00 54.13 52.92 3lor s LEU 70 Cb -0.16 -1.15 0.03 0.00 0.50 0.00 0.00 46.19 45.42 3lor s LEU 70 CO 0.11 -0.19 0.85 -2.28 -1.32 0.00 0.00 176.35 173.51 3lor s HIS 71 N 1.44 2.91 -0.50 5.38 5.65 0.09 -1.66 115.29 128.59 3lor s HIS 71 Ca -0.03 0.08 -0.00 0.00 0.25 0.00 0.00 55.06 55.35 3lor s HIS 71 Cb -0.17 -3.85 0.13 0.00 -1.18 0.00 0.00 32.58 27.51 3lor s HIS 71 CO -0.07 -1.14 0.28 -1.12 -0.65 0.00 0.00 174.74 172.04 3lor s SER 72 N 2.45 4.98 -0.22 9.88 0.01 -0.98 -1.74 113.70 128.08 3lor s SER 72 Ca 0.30 -2.57 -0.24 0.00 1.31 0.00 0.00 55.95 54.75 3lor s SER 72 Cb -0.12 -1.77 -0.01 0.00 0.21 0.00 0.00 66.02 64.33 3lor s SER 72 CO 0.21 -0.39 0.81 -0.69 0.41 0.00 0.00 173.24 173.60 3lor s VAL 73 N 0.35 4.87 -0.05 3.43 1.01 -1.26 -4.63 120.40 124.12 3lor s VAL 73 Ca 0.14 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.68 3lor s VAL 73 Cb -0.22 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.05 3lor s VAL 73 CO -0.04 -0.03 0.48 2.22 0.00 0.00 0.00 175.10 177.74 3lor n PHE 74 N 5.69 0.00 -3.86 5.22 1.16 -1.26 -4.49 117.46 119.92 3lor n PHE 74 Ca 0.05 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.52 3lor n PHE 74 Cb 0.48 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.26 3lor n PHE 74 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 3lor s GLU 75 N -0.10 0.67 -1.33 3.97 -1.05 -1.26 -4.67 118.70 114.93 3lor s GLU 75 Ca 0.00 -0.65 -0.02 0.00 -0.15 0.00 0.00 54.97 54.16 3lor s GLU 75 Cb 0.00 0.27 0.01 0.00 -0.44 0.00 0.00 34.13 33.98 3lor s GLU 75 CO 0.01 -0.19 0.76 0.72 0.95 0.00 0.00 175.26 177.51 3lor n HIS 76 N 0.73 -1.99 -0.34 4.83 8.25 -1.26 -4.88 115.22 120.55 3lor n HIS 76 Ca -0.19 0.86 -0.03 0.00 -0.26 0.00 0.00 57.72 58.09 3lor n HIS 76 Cb 0.59 -4.41 0.09 0.00 1.12 0.00 0.00 29.99 27.38 3lor n HIS 76 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3lor h HIS 77 N -1.91 1.21 0.00 4.41 3.86 -1.93 -2.69 115.15 118.10 3lor h HIS 77 Ca -0.61 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 58.58 3lor h HIS 77 Cb 1.36 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 29.43 3lor h HIS 77 CO 0.48 0.81 -0.08 0.38 0.86 0.00 0.00 177.93 180.37 3lor h ASP 78 N 1.26 0.00 -1.77 2.45 3.04 -2.03 -3.33 116.42 116.04 3lor h ASP 78 Ca 0.33 0.00 -0.73 0.00 -3.24 0.00 0.00 57.03 53.39 3lor h ASP 78 Cb -0.04 0.00 -0.23 0.00 -1.04 0.00 0.00 39.33 38.02 3lor h ASP 78 CO -0.06 0.08 1.12 1.33 -2.04 0.00 0.00 179.24 179.67 3lor n VAL 79 N -4.07 4.51 0.00 4.15 0.24 -1.02 -5.09 118.33 117.06 3lor n VAL 79 Ca -0.03 -4.54 0.00 0.00 -2.04 0.00 0.00 64.34 57.73 3lor n VAL 79 Cb 0.17 -1.52 0.00 0.00 -1.47 0.00 0.00 33.84 31.02 3lor n VAL 79 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3lor n THR 81 N 0.19 0.00 0.24 3.34 -2.24 -1.25 -4.90 114.28 109.66 3lor n THR 81 Ca 0.52 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.39 3lor n THR 81 Cb 0.30 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.15 3lor n THR 81 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3lor h PRO 82 N 0.00 0.00 -0.40 -0.78 0.11 -1.98 -1.58 132.00 127.36 3lor h PRO 82 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3lor h PRO 82 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3lor h PRO 82 CO 0.00 0.14 0.12 0.93 -0.21 0.00 0.00 178.00 178.98 3lor h GLU 83 N 0.00 0.62 -0.78 1.05 3.07 -2.00 -2.27 114.58 114.27 3lor h GLU 83 Ca -0.00 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 58.71 3lor h GLU 83 Cb 0.29 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.07 3lor h GLU 83 CO 0.02 0.62 0.43 0.00 -1.40 0.00 0.00 179.01 178.68 3lor h ALA 84 N 0.97 1.30 -0.73 3.43 0.00 -1.68 -2.62 119.26 119.92 3lor h ALA 84 Ca 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3lor h ALA 84 Cb 0.26 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3lor h ALA 84 CO -0.00 0.58 0.28 1.25 0.00 0.00 0.00 179.25 181.36 3lor h LEU 85 N 1.08 1.02 -0.89 0.00 6.46 -1.10 -1.57 115.31 120.31 3lor h LEU 85 Ca 0.28 -0.18 -0.07 0.00 -0.12 0.00 0.00 57.88 57.79 3lor h LEU 85 Cb 0.02 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.66 3lor h LEU 85 CO -0.05 0.92 0.09 0.11 -0.62 0.00 0.00 178.44 178.89 3lor h LYS 86 N 1.06 0.91 -0.40 1.25 1.57 -1.03 -0.50 116.57 119.43 3lor h LYS 86 Ca 0.24 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3lor h LYS 86 Cb 0.22 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3lor h LYS 86 CO -0.02 0.85 -0.01 0.28 -0.57 0.00 0.00 179.45 179.98 3lor h VAL 87 N 0.86 1.26 -0.86 0.50 2.07 -1.40 -2.91 116.25 115.77 3lor h VAL 87 Ca 0.18 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 3lor h VAL 87 Cb 0.38 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3lor h VAL 87 CO 0.01 0.35 0.46 0.15 0.02 0.00 0.00 177.57 178.56 3lor h PHE 88 N 0.55 1.19 -0.27 1.57 3.57 -0.73 -1.15 116.94 121.66 3lor h PHE 88 Ca 0.11 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3lor h PHE 88 Cb 0.50 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3lor h PHE 88 CO 0.04 0.83 0.11 0.82 -2.23 0.00 0.00 178.31 177.88 3lor h ILE 89 N 1.21 1.17 -0.38 1.41 2.04 -1.02 -1.00 117.51 120.94 3lor h ILE 89 Ca 0.30 -0.52 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 3lor h ILE 89 Cb 0.05 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3lor h ILE 89 CO -0.05 0.18 -0.16 0.44 0.00 0.00 0.00 178.15 178.57 3lor h ASP 90 N 0.29 0.80 -0.50 1.72 3.45 -1.27 -0.52 116.42 120.39 3lor h ASP 90 Ca 0.09 -0.39 -0.01 0.00 0.43 0.00 0.00 57.03 57.15 3lor h ASP 90 Cb 0.17 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.70 3lor h ASP 90 CO -0.01 1.01 0.28 -0.08 -1.57 0.00 0.00 179.24 178.88 3lor h GLU 91 N 0.58 0.71 -0.02 3.56 4.57 -1.11 0.45 114.58 123.32 3lor h GLU 91 Ca 0.09 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3lor h GLU 91 Cb 0.70 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3lor h GLU 91 CO 0.05 0.53 -0.11 1.19 -1.18 0.00 0.00 179.01 179.49 3lor n PHE 92 N -4.40 0.00 -2.81 0.92 3.01 -0.39 -4.98 117.46 108.81 3lor n PHE 92 Ca 0.04 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.33 3lor n PHE 92 Cb 0.10 -0.02 0.02 0.00 -0.01 0.00 0.00 39.48 39.58 3lor n PHE 92 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3lor n GLY 93 N 1.30 -0.29 3.72 1.37 0.00 0.15 -4.98 105.19 106.45 3lor n GLY 93 Ca 0.15 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3lor n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lor s ILE 94 N -3.03 4.33 -0.20 -0.61 1.01 -0.35 -4.93 121.20 117.42 3lor s ILE 94 Ca 0.22 1.81 0.05 0.00 0.00 0.00 0.00 60.65 62.73 3lor s ILE 94 Cb -0.10 -4.16 -0.06 0.00 0.01 0.00 0.00 42.46 38.15 3lor s ILE 94 CO 0.27 0.22 0.20 0.29 0.00 0.00 0.00 174.94 175.92 3lor n LYS 95 N 3.26 4.27 -1.92 2.79 5.02 -1.26 -4.79 118.16 125.53 3lor n LYS 95 Ca 0.05 -0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 56.02 3lor n LYS 95 Cb 0.48 -0.82 0.01 0.00 -0.02 0.00 0.00 35.03 34.68 3lor n LYS 95 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3lor s PHE 96 N -1.67 3.55 0.20 2.13 -0.71 -1.26 -5.01 117.98 115.21 3lor s PHE 96 Ca 0.01 1.33 -0.31 0.00 -1.04 0.00 0.00 56.93 56.92 3lor s PHE 96 Cb 0.04 -2.75 -0.10 0.00 -1.21 0.00 0.00 43.02 39.00 3lor s PHE 96 CO 0.22 -0.70 1.56 -2.14 -1.34 0.00 0.00 175.22 172.81 3lor s PRO 97 N -5.00 4.21 -0.10 1.99 0.02 -1.26 -4.83 135.00 130.03 3lor s PRO 97 Ca 0.56 2.39 0.03 0.00 0.02 0.00 0.00 61.00 63.99 3lor s PRO 97 Cb -0.11 -3.13 0.01 0.00 0.02 0.00 0.00 34.50 31.29 3lor s PRO 97 CO 0.51 -0.58 -0.18 0.08 -0.33 0.00 0.00 177.00 176.49 3lor s VAL 98 N 0.81 1.70 0.01 3.83 1.01 -1.26 -0.64 120.40 125.86 3lor s VAL 98 Ca 0.68 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.94 3lor s VAL 98 Cb -0.44 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 3lor s VAL 98 CO 0.35 0.48 -0.19 0.00 0.00 0.00 0.00 175.10 175.74 3lor s ALA 99 N 0.72 2.50 -0.18 5.51 0.00 0.10 -1.70 121.76 128.72 3lor s ALA 99 Ca -0.11 -1.14 -0.19 0.00 0.00 0.00 0.00 51.96 50.52 3lor s ALA 99 Cb -0.16 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 3lor s ALA 99 CO 0.02 0.56 0.55 0.08 0.00 0.00 0.00 175.76 176.97 3lor s VAL 100 N -0.81 5.09 0.00 0.00 1.01 -0.72 -0.73 120.40 124.24 3lor s VAL 100 Ca 0.13 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.16 3lor s VAL 100 Cb -0.10 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3lor s VAL 100 CO 0.03 0.19 0.00 -0.67 0.00 0.00 0.00 175.10 174.65 3lor n ASP 101 N 4.61 0.00 -4.21 3.32 -0.08 -0.71 -0.69 116.55 118.78 3lor n ASP 101 Ca -0.04 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.12 3lor n ASP 101 Cb 0.50 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.86 3lor n ASP 101 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3lor s PRO 103 N 0.00 0.98 -0.03 -0.67 0.04 -1.26 -4.43 135.00 129.64 3lor s PRO 103 Ca 0.00 -1.44 0.07 0.00 0.04 0.00 0.00 61.00 59.67 3lor s PRO 103 Cb 0.00 -0.24 -0.02 0.00 0.04 0.00 0.00 34.50 34.28 3lor s PRO 103 CO 0.00 -0.08 -0.26 1.03 0.04 0.00 0.00 177.00 177.74 3lor s ARG 104 N -3.88 2.22 0.05 4.56 0.52 -1.26 -4.75 118.95 116.40 3lor s ARG 104 Ca 0.18 -0.92 -0.31 0.00 -0.52 0.00 0.00 55.73 54.17 3lor s ARG 104 Cb 0.06 -2.07 -0.07 0.00 0.52 0.00 0.00 34.95 33.38 3lor s ARG 104 CO 0.00 0.52 1.52 -1.83 0.02 0.00 0.00 175.30 175.53 3lor s GLU 105 N -0.51 4.24 -0.04 3.54 4.04 -1.26 -2.04 118.70 126.67 3lor s GLU 105 Ca 0.07 2.16 0.00 0.00 0.04 0.00 0.00 54.97 57.24 3lor s GLU 105 Cb -0.11 -3.54 0.00 0.00 0.02 0.00 0.00 34.13 30.51 3lor s GLU 105 CO 0.00 -0.64 0.00 0.41 -1.84 0.00 0.00 175.26 173.19 3lor n GLY 106 N 3.79 0.47 3.12 -3.83 0.00 -1.26 -5.01 105.19 102.47 3lor n GLY 106 Ca 0.14 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 3lor n GLY 106 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3lor s GLN 107 N -0.59 1.73 0.18 1.61 -1.52 -0.87 -5.02 119.66 115.18 3lor s GLN 107 Ca 0.00 -0.57 -0.10 0.00 -1.95 0.00 0.00 55.36 52.73 3lor s GLN 107 Cb 0.00 -1.50 0.08 0.00 -0.22 0.00 0.00 33.01 31.37 3lor s GLN 107 CO 0.00 0.22 1.69 0.00 -0.25 0.00 0.00 175.29 176.94 3lor h ARG 108 N 6.32 1.00 -5.93 2.91 3.08 -1.89 -3.41 114.38 116.46 3lor h ARG 108 Ca -0.32 -0.24 -0.57 0.00 0.07 0.00 0.00 59.98 58.91 3lor h ARG 108 Cb 1.18 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 31.03 3lor h ARG 108 CO 0.48 0.91 0.13 0.42 -1.07 0.00 0.00 179.97 180.84 3lor s ILE 109 N -5.29 5.02 0.80 2.04 -1.09 -1.26 -4.36 121.20 117.05 3lor s ILE 109 Ca -0.12 1.40 -0.12 0.00 -2.23 0.00 0.00 60.65 59.57 3lor s ILE 109 Cb 0.13 -4.02 0.07 0.00 -1.58 0.00 0.00 42.46 37.06 3lor s ILE 109 CO 0.83 0.19 1.12 -2.16 -1.23 0.00 0.00 174.94 173.69 3lor s PRO 110 N 1.23 2.09 0.06 2.79 0.04 -1.26 -4.46 135.00 135.49 3lor s PRO 110 Ca 0.35 0.44 -0.22 0.00 0.04 0.00 0.00 61.00 61.62 3lor s PRO 110 Cb -0.17 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.31 3lor s PRO 110 CO 0.15 -1.57 1.54 1.03 0.04 0.00 0.00 177.00 178.19 3lor h SER 111 N -1.04 0.20 0.00 6.66 0.87 -1.87 -2.01 113.55 116.35 3lor h SER 111 Ca -0.47 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 59.85 3lor h SER 111 Cb 1.29 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3lor h SER 111 CO 0.62 0.39 0.00 0.41 -0.53 0.00 0.00 176.83 177.72 3lor n THR 112 N -4.84 0.09 0.00 2.23 -1.04 -1.26 -1.70 114.28 107.75 3lor n THR 112 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3lor n THR 112 Cb 0.16 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 3lor n THR 112 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3lor n LYS 114 N 0.72 0.00 -0.22 -2.82 0.00 -0.76 -2.22 118.16 112.87 3lor n LYS 114 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 3lor n LYS 114 Cb 0.06 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.13 3lor n LYS 114 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 3lor h LYS 115 N 0.00 0.82 -0.39 1.64 3.64 -1.61 -2.46 116.57 118.22 3lor h LYS 115 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3lor h LYS 115 Cb 0.00 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3lor h LYS 115 CO 0.00 0.55 0.00 0.66 -2.27 0.00 0.00 179.45 178.39 3lor n TYR 116 N -4.65 0.50 -3.89 1.91 4.01 -0.94 -4.98 117.16 109.12 3lor n TYR 116 Ca 0.05 -0.25 -0.26 0.00 -0.16 0.00 0.00 57.90 57.27 3lor n TYR 116 Cb 0.02 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.06 3lor n TYR 116 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3lor n ARG 117 N 1.16 -4.33 -2.02 -0.72 1.74 -0.93 -4.94 116.66 106.63 3lor n ARG 117 Ca 0.19 0.52 -0.40 0.00 -0.77 0.00 0.00 57.85 57.38 3lor n ARG 117 Cb 0.52 -5.03 -0.01 0.00 -1.02 0.00 0.00 32.46 26.92 3lor n ARG 117 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3lor s LEU 118 N -6.98 4.26 0.47 0.55 1.43 -1.26 -4.91 118.68 112.24 3lor s LEU 118 Ca 0.24 2.72 0.26 0.00 -1.03 0.00 0.00 54.13 56.33 3lor s LEU 118 Cb -0.13 -3.82 1.11 0.00 0.03 0.00 0.00 46.19 43.38 3lor s LEU 118 CO 0.85 -0.81 1.91 -0.33 0.23 0.00 0.00 176.35 178.20 3lor h GLU 119 N 2.84 0.00 0.00 1.70 5.08 -1.97 -3.48 114.58 118.74 3lor h GLU 119 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3lor h GLU 119 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3lor h GLU 119 CO 0.63 0.18 0.00 0.41 -1.00 0.00 0.00 179.01 179.24 3lor n GLY 120 N -0.09 -0.42 3.37 -3.84 0.00 -1.26 -5.13 105.19 97.82 3lor n GLY 120 Ca -0.00 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 3lor n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3lor s THR 121 N -2.99 2.21 0.48 2.61 -4.23 -1.26 -3.78 115.64 108.68 3lor s THR 121 Ca 0.00 -1.52 -0.19 0.00 -1.18 0.00 0.00 61.69 58.80 3lor s THR 121 Cb 0.00 -1.91 -0.09 0.00 1.34 0.00 0.00 72.50 71.85 3lor s THR 121 CO 0.00 0.26 1.00 -2.16 -0.54 0.00 0.00 174.62 173.18 3lor s PRO 122 N -1.55 3.94 0.05 3.99 0.05 -1.26 -4.82 135.00 135.40 3lor s PRO 122 Ca 0.13 1.18 0.02 0.00 0.05 0.00 0.00 61.00 62.38 3lor s PRO 122 Cb -0.10 -2.13 -0.03 0.00 0.05 0.00 0.00 34.50 32.30 3lor s PRO 122 CO 0.04 -0.29 -0.08 -1.12 0.05 0.00 0.00 177.00 175.60 3lor s SER 123 N -2.33 0.92 0.05 6.66 0.01 -0.95 -1.40 113.70 116.67 3lor s SER 123 Ca 0.63 -0.60 0.09 0.00 1.31 0.00 0.00 55.95 57.38 3lor s SER 123 Cb -0.12 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.12 3lor s SER 123 CO 0.21 -0.23 -0.25 0.27 0.41 0.00 0.00 173.24 173.65 3lor s ILE 124 N -1.63 2.03 -0.11 1.44 -0.00 -0.36 -1.09 121.20 121.48 3lor s ILE 124 Ca -0.07 -1.37 0.04 0.00 -0.00 0.00 0.00 60.65 59.24 3lor s ILE 124 Cb -0.08 -1.75 0.00 0.00 -0.00 0.00 0.00 42.46 40.63 3lor s ILE 124 CO -0.00 0.31 -0.24 -0.63 -0.00 0.00 0.00 174.94 174.38 3lor s ILE 125 N -0.82 2.06 -0.18 8.37 1.01 -0.48 -1.70 121.20 129.46 3lor s ILE 125 Ca 0.11 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 3lor s ILE 125 Cb -0.10 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 3lor s ILE 125 CO 0.02 0.56 -0.08 -0.76 0.00 0.00 0.00 174.94 174.68 3lor s LEU 126 N 0.44 2.83 0.04 2.97 1.43 -0.28 -0.81 118.68 125.30 3lor s LEU 126 Ca -0.17 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 52.66 3lor s LEU 126 Cb -0.17 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 3lor s LEU 126 CO 0.07 0.07 -0.19 0.00 0.23 0.00 0.00 176.35 176.53 3lor s ALA 127 N 0.92 2.55 0.94 4.21 0.00 -0.59 -0.74 121.76 129.06 3lor s ALA 127 Ca -0.02 -1.21 -0.15 0.00 0.00 0.00 0.00 51.96 50.58 3lor s ALA 127 Cb -0.15 -0.70 0.18 0.00 0.00 0.00 0.00 23.12 22.45 3lor s ALA 127 CO 0.00 0.57 1.28 0.16 0.00 0.00 0.00 175.76 177.77 3lor s ASP 128 N -1.44 3.30 0.59 0.00 3.84 -0.68 -1.27 116.67 121.02 3lor s ASP 128 Ca 0.14 0.41 0.35 0.00 -0.00 0.00 0.00 52.55 53.45 3lor s ASP 128 Cb -0.10 -0.56 1.87 0.00 -1.38 0.00 0.00 42.92 42.74 3lor s ASP 128 CO 0.05 -2.63 2.20 0.03 -0.00 0.00 0.00 175.17 174.82 3lor h ARG 129 N -1.57 0.00 -0.59 2.11 3.08 -1.89 0.21 114.38 115.73 3lor h ARG 129 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3lor h ARG 129 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3lor h ARG 129 CO 0.44 0.04 0.00 1.63 -1.07 0.00 0.00 179.97 181.01 3lor n LYS 130 N -3.36 2.72 -1.02 0.04 5.02 -1.26 0.13 118.16 120.43 3lor n LYS 130 Ca -0.02 -1.81 -0.01 0.00 -2.02 0.00 0.00 58.31 54.46 3lor n LYS 130 Cb 0.16 -1.65 -0.00 0.00 -0.02 0.00 0.00 35.03 33.52 3lor n LYS 130 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3lor n GLY 131 N 0.84 0.43 3.55 0.72 0.00 0.06 -4.99 105.19 105.79 3lor n GLY 131 Ca 0.16 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3lor n GLY 131 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3lor s ARG 132 N -0.78 2.38 -0.17 1.61 1.70 -1.25 -1.20 118.95 121.23 3lor s ARG 132 Ca 0.00 -0.82 -0.29 0.00 -0.47 0.00 0.00 55.73 54.15 3lor s ARG 132 Cb 0.00 -2.39 -0.00 0.00 -0.57 0.00 0.00 34.95 31.99 3lor s ARG 132 CO 0.00 0.58 1.06 0.42 -1.08 0.00 0.00 175.30 176.27 3lor s ILE 133 N -0.98 4.66 -0.14 4.99 1.01 0.32 -1.69 121.20 129.36 3lor s ILE 133 Ca 0.16 1.97 0.13 0.00 0.00 0.00 0.00 60.65 62.91 3lor s ILE 133 Cb -0.11 -4.27 -0.18 0.00 0.01 0.00 0.00 42.46 37.91 3lor s ILE 133 CO 0.07 -0.10 0.05 0.54 0.00 0.00 0.00 174.94 175.50 3lor n ARG 134 N 5.81 1.60 -3.87 2.79 5.12 0.09 -4.61 116.66 123.60 3lor n ARG 134 Ca 0.11 -0.01 -0.12 0.00 -1.93 0.00 0.00 57.85 55.91 3lor n ARG 134 Cb 0.47 -1.38 -0.13 0.00 -1.16 0.00 0.00 32.46 30.26 3lor n ARG 134 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3lor s GLN 135 N -2.35 0.12 -0.15 5.56 -1.52 -1.03 -4.97 119.66 115.32 3lor s GLN 135 Ca -0.07 -0.02 -0.01 0.00 -1.95 0.00 0.00 55.36 53.31 3lor s GLN 135 Cb 0.04 0.05 0.04 0.00 -0.22 0.00 0.00 33.01 32.92 3lor s GLN 135 CO 0.60 -0.02 -0.03 0.08 -0.25 0.00 0.00 175.29 175.66 3lor s VAL 136 N -0.21 0.91 -0.08 1.09 1.01 -1.26 -1.13 120.40 120.74 3lor s VAL 136 Ca -0.03 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.53 3lor s VAL 136 Cb -0.02 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.26 3lor s VAL 136 CO 0.00 0.13 -0.20 -1.58 0.00 0.00 0.00 175.10 173.45 3lor s GLN 137 N 1.72 2.41 -0.02 2.72 0.74 -0.69 -4.98 119.66 121.57 3lor s GLN 137 Ca 0.02 -0.71 -0.09 0.00 0.05 0.00 0.00 55.36 54.62 3lor s GLN 137 Cb -0.15 -1.92 -0.05 0.00 1.10 0.00 0.00 33.01 32.00 3lor s GLN 137 CO -0.07 0.18 0.28 0.12 -0.55 0.00 0.00 175.29 175.24 3lor s PHE 138 N 0.31 3.62 0.00 1.67 5.36 -1.26 -1.23 117.98 126.45 3lor s PHE 138 Ca -0.13 0.68 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 3lor s PHE 138 Cb -0.16 -2.06 0.00 0.00 -0.34 0.00 0.00 43.02 40.46 3lor s PHE 138 CO 0.06 0.65 0.00 0.41 -1.46 0.00 0.00 175.22 174.88 3lor n GLY 139 N 1.51 -1.81 3.69 13.12 0.00 -0.49 -4.90 105.19 116.31 3lor n GLY 139 Ca -0.14 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 3lor n GLY 139 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3lor s GLN 140 N 0.00 4.24 -0.14 1.61 0.74 -1.26 -4.78 119.66 120.07 3lor s GLN 140 Ca 0.00 2.16 -0.03 0.00 0.05 0.00 0.00 55.36 57.53 3lor s GLN 140 Cb 0.00 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.52 3lor s GLN 140 CO 0.00 -0.65 -0.02 0.08 -0.55 0.00 0.00 175.29 174.15 3lor s VAL 141 N 2.41 4.08 0.30 1.34 1.01 -1.26 -5.09 120.40 123.19 3lor s VAL 141 Ca 0.69 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 3lor s VAL 141 Cb -0.36 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.15 3lor s VAL 141 CO 0.30 0.52 1.27 -0.62 0.00 0.00 0.00 175.10 176.57 3lor s ASP 142 N -0.01 6.87 0.24 3.32 2.15 -1.26 -4.88 116.67 123.09 3lor s ASP 142 Ca 0.02 2.58 -0.07 0.00 0.43 0.00 0.00 52.55 55.51 3lor s ASP 142 Cb -0.13 -2.64 0.26 0.00 -0.30 0.00 0.00 42.92 40.11 3lor s ASP 142 CO 0.02 -0.47 1.90 0.44 -0.17 0.00 0.00 175.17 176.89 3lor h ASP 143 N 3.77 1.02 -0.22 -0.34 3.32 -1.98 -0.25 116.42 121.74 3lor h ASP 143 Ca -0.48 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 3lor h ASP 143 Cb 1.22 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3lor h ASP 143 CO 0.68 0.72 0.09 0.15 -1.72 0.00 0.00 179.24 179.15 3lor h PHE 144 N 1.20 0.34 -0.69 4.55 3.57 -1.99 -1.52 116.94 122.39 3lor h PHE 144 Ca 0.36 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 3lor h PHE 144 Cb -0.06 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3lor h PHE 144 CO -0.01 0.37 0.35 0.28 -2.23 0.00 0.00 178.31 177.06 3lor h VAL 145 N 0.21 1.23 -0.76 1.41 2.07 -1.73 -2.21 116.25 116.47 3lor h VAL 145 Ca 0.07 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 3lor h VAL 145 Cb 0.17 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3lor h VAL 145 CO -0.01 0.26 0.31 0.25 0.02 0.00 0.00 177.57 178.40 3lor h LEU 146 N 0.96 1.04 -0.54 2.57 5.85 -0.94 -2.02 115.31 122.22 3lor h LEU 146 Ca 0.24 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3lor h LEU 146 Cb 0.10 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3lor h LEU 146 CO -0.03 0.92 0.30 1.23 -0.34 0.00 0.00 178.44 180.51 3lor h GLY 147 N 1.13 0.80 1.00 3.75 0.00 -0.99 -1.66 103.07 107.11 3lor h GLY 147 Ca 0.26 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 3lor h GLY 147 CO -0.02 0.35 0.41 1.41 0.00 0.00 0.00 176.54 178.68 3lor h LEU 148 N 0.72 0.82 -0.32 3.11 3.38 -1.18 -0.89 115.31 120.95 3lor h LEU 148 Ca 0.19 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3lor h LEU 148 Cb 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3lor h LEU 148 CO -0.03 0.64 0.08 -0.07 0.09 0.00 0.00 178.44 179.15 3lor h LEU 149 N 0.92 0.49 -0.41 1.67 3.38 -1.16 -1.45 115.31 118.76 3lor h LEU 149 Ca 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3lor h LEU 149 Cb -0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3lor h LEU 149 CO -0.05 0.60 0.20 -0.07 0.09 0.00 0.00 178.44 179.21 3lor h LEU 150 N 0.37 0.54 -1.05 1.67 3.38 -1.14 -2.80 115.31 116.26 3lor h LEU 150 Ca 0.10 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3lor h LEU 150 Cb 0.30 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3lor h LEU 150 CO 0.00 0.51 0.37 1.23 0.09 0.00 0.00 178.44 180.64 3lor h GLY 151 N 0.52 1.11 0.99 0.83 0.00 -1.02 -1.23 103.07 104.27 3lor h GLY 151 Ca 0.14 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 3lor h GLY 151 CO -0.02 0.50 0.30 0.23 0.00 0.00 0.00 176.54 177.55 3lor h SER 152 N 1.03 0.77 -0.66 0.19 0.87 -1.13 -2.80 113.55 111.82 3lor h SER 152 Ca 0.26 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 3lor h SER 152 Cb 0.08 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 3lor h SER 152 CO -0.04 0.67 0.14 -0.07 -0.53 0.00 0.00 176.83 177.01 3lor h LEU 153 N 0.81 1.03 -1.40 2.23 3.38 -1.13 -2.98 115.31 117.26 3lor h LEU 153 Ca 0.21 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3lor h LEU 153 Cb 0.10 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3lor h LEU 153 CO -0.03 1.01 0.01 -0.07 0.09 0.00 0.00 178.44 179.45 3lor h LEU 154 N 1.00 0.37 0.00 1.67 3.38 -1.00 -3.31 115.31 117.42 3lor h LEU 154 Ca 0.21 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3lor h LEU 154 Cb 0.40 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3lor h LEU 154 CO 0.01 0.43 -1.31 -1.54 0.09 0.00 0.00 178.44 176.12 3lor n SER 155 N -4.33 1.04 -4.77 -0.43 3.41 -1.08 -4.96 113.62 102.50 3lor n SER 155 Ca 0.01 -0.38 -0.34 0.00 -0.26 0.00 0.00 58.87 57.89 3lor n SER 155 Cb 0.21 1.42 0.02 0.00 -0.26 0.00 0.00 64.21 65.60 3lor n SER 155 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3lor s GLU 156 N -2.85 3.12 0.00 4.33 -1.05 -1.13 -5.11 118.70 116.01 3lor s GLU 156 Ca -0.01 1.57 0.04 0.00 -0.15 0.00 0.00 54.97 56.42 3lor s GLU 156 Cb 0.11 -1.98 0.04 0.00 -0.44 0.00 0.00 34.13 31.86 3lor s GLU 156 CO 0.67 -1.03 0.64 0.25 0.95 0.00 0.00 175.26 176.74