#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lor s LEU 9 N 0.00 4.38 0.05 2.45 1.02 -1.26 -0.47 118.68 124.85 3lor s LEU 9 Ca 0.00 2.22 -0.31 0.00 0.02 0.00 0.00 54.13 56.06 3lor s LEU 9 Cb 0.00 -3.59 -0.07 0.00 0.02 0.00 0.00 46.19 42.56 3lor s LEU 9 CO 0.00 -0.55 1.41 -0.22 0.02 0.00 0.00 176.35 177.01 3lor s LEU 10 N 0.81 4.34 -0.04 1.79 2.96 -0.09 -4.87 118.68 123.58 3lor s LEU 10 Ca 0.60 2.22 -0.02 0.00 -0.22 0.00 0.00 54.13 56.72 3lor s LEU 10 Cb -0.34 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 42.81 3lor s LEU 10 CO 0.31 -0.70 0.08 -0.70 -1.32 0.00 0.00 176.35 174.03 3lor s GLU 11 N 1.87 0.00 -0.04 1.98 -6.30 -1.26 -5.02 118.70 109.93 3lor s GLU 11 Ca 0.65 0.32 0.03 0.00 -2.50 0.00 0.00 54.97 53.46 3lor s GLU 11 Cb -0.34 -0.27 -0.03 0.00 0.00 0.00 0.00 34.13 33.49 3lor s GLU 11 CO 0.28 -0.21 -0.12 -0.51 0.02 0.00 0.00 175.26 174.73 3lor s LEU 12 N 1.41 2.88 -0.52 2.70 1.43 -1.26 -5.02 118.68 120.30 3lor s LEU 12 Ca -0.06 -0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 52.70 3lor s LEU 12 Cb -0.12 -1.61 0.07 0.00 0.03 0.00 0.00 46.19 44.55 3lor s LEU 12 CO -0.04 0.34 0.60 -1.81 0.23 0.00 0.00 176.35 175.66 3lor s ASP 13 N -0.86 6.20 -0.22 2.29 1.01 -1.26 -5.04 116.67 118.78 3lor s ASP 13 Ca 0.12 -1.10 -0.02 0.00 0.71 0.00 0.00 52.55 52.27 3lor s ASP 13 Cb -0.11 -2.27 0.02 0.00 1.01 0.00 0.00 42.92 41.57 3lor s ASP 13 CO 0.02 -0.89 -0.09 -0.69 0.21 0.00 0.00 175.17 173.73 3lor s VAL 14 N 2.45 2.81 0.04 -1.27 1.01 -1.26 -4.45 120.40 119.71 3lor s VAL 14 Ca 0.12 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 3lor s VAL 14 Cb -0.21 -2.33 -0.17 0.00 0.00 0.00 0.00 36.38 33.66 3lor s VAL 14 CO 0.10 0.34 1.49 -0.61 0.00 0.00 0.00 175.10 176.42 3lor h GLN 15 N 8.02 -0.08 -2.71 2.72 4.15 -1.36 -3.48 115.11 122.38 3lor h GLN 15 Ca -0.38 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 58.98 3lor h GLN 15 Cb 1.13 0.02 -0.17 0.00 0.21 0.00 0.00 27.48 28.67 3lor h GLN 15 CO 0.60 0.17 0.04 -1.83 -1.93 0.00 0.00 178.83 175.87 3lor s GLU 16 N -5.24 1.02 -0.35 1.69 -1.05 -1.25 -4.99 118.70 108.52 3lor s GLU 16 Ca -0.14 -0.18 -0.14 0.00 -0.15 0.00 0.00 54.97 54.36 3lor s GLU 16 Cb 0.04 0.47 -0.01 0.00 -0.44 0.00 0.00 34.13 34.18 3lor s GLU 16 CO 0.65 -0.36 0.28 -1.58 0.95 0.00 0.00 175.26 175.20 3lor s TRP 17 N -2.26 3.22 0.05 4.83 0.52 -1.26 -0.42 118.94 123.62 3lor s TRP 17 Ca -0.06 -0.22 -0.20 0.00 0.02 0.00 0.00 56.10 55.63 3lor s TRP 17 Cb -0.01 -2.54 -0.13 0.00 -1.15 0.00 0.00 33.47 29.63 3lor s TRP 17 CO -0.00 -0.41 1.38 0.28 0.02 0.00 0.00 176.95 178.22 3lor h VAL 18 N 5.52 1.33 -0.06 4.03 2.07 -1.81 -3.39 116.25 123.93 3lor h VAL 18 Ca -0.30 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.02 3lor h VAL 18 Cb 1.15 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3lor h VAL 18 CO 0.66 0.35 0.00 -0.46 0.02 0.00 0.00 177.57 178.15 3lor n ASN 19 N -4.59 2.20 -3.60 0.57 6.94 -1.26 -5.03 115.26 110.48 3lor n ASN 19 Ca -0.06 -2.07 -0.11 0.00 -0.02 0.00 0.00 54.58 52.33 3lor n ASN 19 Cb 0.33 -0.07 -0.04 0.00 -2.36 0.00 0.00 39.78 37.64 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 -1.12 -0.28 0.88 -2.53 5.04 -1.26 -4.95 115.29 111.08 3lor s HIS 20 Ca 0.06 0.02 -0.11 0.00 -1.54 0.00 0.00 55.06 53.49 3lor s HIS 20 Cb 0.04 0.31 0.12 0.00 0.04 0.00 0.00 32.58 33.09 3lor s HIS 20 CO 0.03 -0.71 1.09 -1.83 -2.34 0.00 0.00 174.74 170.98 3lor s GLU 21 N -3.62 1.34 0.57 2.88 1.03 -1.26 -4.70 118.70 114.95 3lor s GLU 21 Ca 0.02 0.98 -0.19 0.00 0.03 0.00 0.00 54.97 55.80 3lor s GLU 21 Cb 0.01 -1.81 -0.05 0.00 -0.80 0.00 0.00 34.13 31.49 3lor s GLU 21 CO -0.11 -2.23 1.17 0.20 -1.33 0.00 0.00 175.26 172.97 3lor s GLY 22 N -3.29 2.69 -0.36 -3.83 0.00 -1.26 -5.01 107.32 96.26 3lor s GLY 22 Ca 0.63 0.92 -0.12 0.00 0.00 0.00 0.00 44.72 46.16 3lor s GLY 22 CO 0.57 1.30 0.22 1.08 0.00 0.00 0.00 173.10 176.27 3lor s LEU 23 N -3.96 4.59 0.77 0.66 1.43 -1.26 -5.07 118.68 115.84 3lor s LEU 23 Ca 0.75 -0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 3lor s LEU 23 Cb -0.27 -2.07 0.05 0.00 0.03 0.00 0.00 46.19 43.92 3lor s LEU 23 CO 0.30 -0.31 1.13 -0.94 0.23 0.00 0.00 176.35 176.76 3lor s SER 24 N 1.64 4.88 0.47 2.29 1.04 -1.26 -4.93 113.70 117.83 3lor s SER 24 Ca 0.04 1.03 0.14 0.00 0.48 0.00 0.00 55.95 57.64 3lor s SER 24 Cb -0.18 -1.70 1.09 0.00 0.10 0.00 0.00 66.02 65.33 3lor s SER 24 CO 0.08 -1.69 2.05 0.78 0.98 0.00 0.00 173.24 175.44 3lor h ASN 25 N -0.90 0.03 -0.63 7.02 2.35 -1.98 -2.06 115.58 119.42 3lor h ASN 25 Ca -0.46 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.24 3lor h ASN 25 Cb 1.29 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.62 3lor h ASN 25 CO 0.64 0.13 0.21 -0.33 -1.65 0.00 0.00 177.43 176.43 3lor h GLU 26 N 0.03 0.99 -0.39 0.81 4.39 -1.95 0.27 114.58 118.74 3lor h GLU 26 Ca 0.01 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 3lor h GLU 26 Cb 0.18 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3lor h GLU 26 CO 0.01 0.85 0.08 -0.44 -1.16 0.00 0.00 179.01 178.35 3lor h ASP 27 N 0.96 0.60 -0.24 1.42 5.19 -1.76 -3.31 116.42 119.29 3lor h ASP 27 Ca 0.22 -0.25 -0.08 0.00 -0.62 0.00 0.00 57.03 56.30 3lor h ASP 27 Cb 0.26 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 3lor h ASP 27 CO -0.01 0.70 -0.12 -0.07 -3.12 0.00 0.00 179.24 176.62 3lor h LEU 28 N 0.49 0.62 -9.86 1.55 3.38 -0.61 -3.47 115.31 107.41 3lor h LEU 28 Ca 0.12 -0.17 -0.53 0.00 0.09 0.00 0.00 57.88 57.38 3lor h LEU 28 Cb 0.34 -0.17 0.09 0.00 0.09 0.00 0.00 40.66 41.01 3lor h LEU 28 CO 0.00 0.77 0.82 -0.13 0.09 0.00 0.00 178.44 180.00 3lor s ARG 29 N -4.76 4.14 0.00 1.13 1.81 0.83 -2.31 118.95 119.79 3lor s ARG 29 Ca -0.08 2.53 0.00 0.00 -1.72 0.00 0.00 55.73 56.46 3lor s ARG 29 Cb 0.14 -3.01 0.00 0.00 -0.45 0.00 0.00 34.95 31.63 3lor s ARG 29 CO 0.80 -0.55 0.00 0.41 -0.68 0.00 0.00 175.30 175.28 3lor n GLY 30 N 1.43 0.64 3.28 -3.53 0.00 -0.40 -5.03 105.19 101.58 3lor n GLY 30 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.21 1.12 0.22 1.61 1.02 -0.98 -4.85 119.74 117.67 3lor s LYS 31 Ca 0.00 -1.22 -0.24 0.00 0.02 0.00 0.00 55.97 54.53 3lor s LYS 31 Cb 0.00 -1.24 -0.09 0.00 -0.52 0.00 0.00 37.83 35.98 3lor s LYS 31 CO 0.00 0.27 0.81 0.08 -0.92 0.00 0.00 175.35 175.59 3lor s VAL 32 N -1.56 4.37 -0.06 3.17 1.01 -1.13 -3.50 120.40 122.71 3lor s VAL 32 Ca 0.08 1.63 0.05 0.00 0.00 0.00 0.00 61.98 63.75 3lor s VAL 32 Cb -0.08 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 3lor s VAL 32 CO 0.05 0.34 -0.22 -0.69 0.00 0.00 0.00 175.10 174.58 3lor s VAL 33 N -1.37 1.81 -0.17 2.92 1.01 -0.70 -1.05 120.40 122.83 3lor s VAL 33 Ca 0.42 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3lor s VAL 33 Cb -0.20 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3lor s VAL 33 CO 0.25 0.51 -0.18 -0.69 0.00 0.00 0.00 175.10 174.98 3lor s VAL 34 N -0.01 2.27 -0.24 2.92 1.01 -0.36 -1.79 120.40 124.21 3lor s VAL 34 Ca -0.06 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 3lor s VAL 34 Cb -0.14 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.29 3lor s VAL 34 CO 0.04 0.53 -0.02 -0.69 0.00 0.00 0.00 175.10 174.96 3lor s VAL 35 N 1.16 3.48 -0.37 2.92 1.01 0.14 -0.05 120.40 128.69 3lor s VAL 35 Ca 0.01 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 3lor s VAL 35 Cb -0.14 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.60 3lor s VAL 35 CO -0.08 0.33 0.25 -0.70 0.00 0.00 0.00 175.10 174.91 3lor s GLU 36 N 1.48 3.20 -0.32 2.72 2.56 0.17 -1.13 118.70 127.38 3lor s GLU 36 Ca 0.05 -0.85 -0.10 0.00 0.00 0.00 0.00 54.97 54.07 3lor s GLU 36 Cb -0.15 -3.85 -0.01 0.00 2.00 0.00 0.00 34.13 32.12 3lor s GLU 36 CO -0.02 -0.59 0.17 0.08 -0.56 0.00 0.00 175.26 174.34 3lor s VAL 37 N 1.68 4.73 0.07 3.70 1.01 0.14 -0.48 120.40 131.25 3lor s VAL 37 Ca 0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 3lor s VAL 37 Cb -0.18 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3lor s VAL 37 CO 0.10 0.04 0.01 0.72 0.00 0.00 0.00 175.10 175.96 3lor s PHE 38 N 1.63 0.58 0.00 5.22 -0.12 -0.82 -1.64 117.98 122.82 3lor s PHE 38 Ca 0.05 -1.08 0.00 0.00 -0.05 0.00 0.00 56.93 55.85 3lor s PHE 38 Cb -0.17 -0.39 0.00 0.00 -0.63 0.00 0.00 43.02 41.83 3lor s PHE 38 CO 0.07 -0.43 0.00 0.00 -0.05 0.00 0.00 175.22 174.81 3lor n GLN 39 N 0.05 3.66 0.00 1.99 -0.00 -1.26 -1.84 117.38 119.97 3lor n GLN 39 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.88 3lor n GLN 39 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.86 3lor n GLN 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3lor n LEU 41 N 0.00 0.00 -4.66 2.61 4.32 -1.26 -4.69 117.00 113.32 3lor n LEU 41 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.63 3lor n LEU 41 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 3lor n LEU 41 CO 0.00 0.00 -0.18 0.00 -1.22 0.00 0.00 177.39 175.99 3lor h PRO 43 N 7.52 0.73 -0.73 0.00 0.11 -1.98 -1.32 132.00 136.34 3lor h PRO 43 Ca -0.38 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3lor h PRO 43 Cb 1.17 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 3lor h PRO 43 CO 0.65 0.57 0.44 0.78 -0.21 0.00 0.00 178.00 180.24 3lor h GLY 44 N 0.70 1.06 0.92 -0.55 0.00 -1.93 0.26 103.07 103.54 3lor h GLY 44 Ca 0.19 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3lor h GLY 44 CO -0.03 0.43 0.12 0.00 0.00 0.00 0.00 176.54 177.05 3lor h VAL 46 N 0.27 1.26 -0.19 0.00 2.07 0.08 0.24 116.25 119.97 3lor h VAL 46 Ca 0.09 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 3lor h VAL 46 Cb 0.12 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3lor h VAL 46 CO -0.01 0.28 -0.23 0.78 0.02 0.00 0.00 177.57 178.41 3lor h ASN 47 N 0.19 0.34 0.00 0.57 2.35 -0.64 -3.42 115.58 114.97 3lor h ASN 47 Ca 0.07 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3lor h ASN 47 Cb 0.41 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3lor h ASN 47 CO 0.01 0.58 0.00 1.41 -1.65 0.00 0.00 177.43 177.78 3lor n HIS 48 N -4.16 -1.31 -0.17 1.19 8.25 -1.08 -4.83 115.22 113.11 3lor n HIS 48 Ca -0.01 0.23 -0.09 0.00 -0.26 0.00 0.00 57.72 57.60 3lor n HIS 48 Cb 0.36 0.47 0.01 0.00 1.12 0.00 0.00 29.99 31.95 3lor n HIS 48 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3lor h GLY 49 N 0.00 0.80 0.97 -1.41 0.00 -1.22 -2.60 103.07 99.61 3lor h GLY 49 Ca 0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 3lor h GLY 49 CO 0.00 0.44 0.03 -2.08 0.00 0.00 0.00 176.54 174.92 3lor h VAL 50 N 0.64 1.26 -0.74 4.60 2.07 -0.79 -2.65 116.25 120.63 3lor h VAL 50 Ca 0.16 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 3lor h VAL 50 Cb 0.26 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3lor h VAL 50 CO -0.01 0.34 0.34 -0.65 0.02 0.00 0.00 177.57 177.62 3lor h PRO 51 N 0.63 1.07 -0.72 1.57 0.11 -1.78 -1.20 132.00 131.68 3lor h PRO 51 Ca 0.13 -0.16 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 3lor h PRO 51 Cb 0.45 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 3lor h PRO 51 CO 0.02 0.84 0.28 0.37 -0.21 0.00 0.00 178.00 179.30 3lor h GLN 52 N 1.06 1.08 -0.70 1.05 4.15 -1.47 -0.27 115.11 120.03 3lor h GLN 52 Ca 0.25 -0.20 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 3lor h GLN 52 Cb 0.13 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 3lor h GLN 52 CO -0.03 0.90 0.24 0.00 -1.93 0.00 0.00 178.83 178.01 3lor h ALA 53 N 1.13 1.11 -0.60 3.38 0.00 -1.08 -2.25 119.26 120.96 3lor h ALA 53 Ca 0.24 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3lor h ALA 53 Cb 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3lor h ALA 53 CO -0.02 0.62 0.13 1.96 0.00 0.00 0.00 179.25 181.95 3lor h GLN 54 N 1.02 0.93 -0.55 0.00 4.20 -0.70 -2.19 115.11 117.83 3lor h GLN 54 Ca 0.23 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3lor h GLN 54 Cb 0.25 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 3lor h GLN 54 CO -0.01 0.84 0.30 -0.22 -0.67 0.00 0.00 178.83 179.07 3lor h LYS 55 N 0.89 0.77 -0.61 1.46 3.64 -0.58 -0.90 116.57 121.24 3lor h LYS 55 Ca 0.19 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3lor h LYS 55 Cb 0.34 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 3lor h LYS 55 CO 0.00 0.59 0.29 0.82 -2.27 0.00 0.00 179.45 178.88 3lor h ILE 56 N 0.74 1.22 -0.58 2.00 2.04 -1.17 -2.76 117.51 119.00 3lor h ILE 56 Ca 0.19 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 3lor h ILE 56 Cb 0.04 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3lor h ILE 56 CO -0.03 0.25 0.24 -0.74 0.00 0.00 0.00 178.15 177.87 3lor h HIS 57 N 0.84 0.87 0.00 1.37 2.76 -1.16 -0.77 115.15 119.06 3lor h HIS 57 Ca 0.21 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3lor h HIS 57 Cb 0.13 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.83 3lor h HIS 57 CO 0.00 0.70 0.00 0.54 -1.30 0.00 0.00 177.93 177.87 3lor n ARG 58 N -4.49 0.35 -0.17 5.26 1.74 -0.36 -4.71 116.66 114.28 3lor n ARG 58 Ca 0.03 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.05 3lor n ARG 58 Cb 0.16 -1.14 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 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 0.16 0.07 -2.06 0.55 5.41 -0.30 -5.09 119.36 118.11 3lor n ILE 60 Ca 0.00 -0.02 -0.37 0.00 1.00 0.00 0.00 62.75 63.37 3lor n ILE 60 Cb 0.07 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.02 3lor n ILE 60 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3lor s ASP 61 N -0.03 5.51 0.50 4.38 2.15 -1.26 -4.71 116.67 123.21 3lor s ASP 61 Ca 0.09 2.42 0.20 0.00 0.43 0.00 0.00 52.55 55.69 3lor s ASP 61 Cb -0.13 -2.61 1.29 0.00 -0.30 0.00 0.00 42.92 41.17 3lor s ASP 61 CO 0.06 -1.38 2.09 -0.08 -0.17 0.00 0.00 175.17 175.70 3lor h GLU 62 N 1.33 0.00 0.00 4.34 4.81 -1.89 -1.00 114.58 122.18 3lor h GLU 62 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3lor h GLU 62 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3lor h GLU 62 CO 0.57 0.09 0.00 0.66 -0.73 0.00 0.00 179.01 179.60 3lor h SER 63 N 0.00 0.00 0.00 1.04 4.64 -2.00 -3.31 113.55 113.93 3lor h SER 63 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3lor h SER 63 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3lor h SER 63 CO 0.01 0.00 -0.81 0.00 -0.87 0.00 0.00 176.83 175.16 3lor n GLN 64 N -2.56 0.28 -5.10 4.77 1.13 -0.63 -4.84 117.38 110.43 3lor n GLN 64 Ca -0.01 0.11 -0.30 0.00 -1.94 0.00 0.00 57.00 54.87 3lor n GLN 64 Cb 0.13 -0.99 -0.17 0.00 0.11 0.00 0.00 30.24 29.33 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 -2.43 1.86 -0.24 5.09 1.01 -0.47 -2.82 120.40 122.40 3lor s VAL 65 Ca -0.16 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 3lor s VAL 65 Cb 0.03 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 3lor s VAL 65 CO 0.23 0.52 0.06 -1.58 0.00 0.00 0.00 175.10 174.33 3lor s GLN 66 N 0.23 3.64 -0.10 2.72 2.00 -0.22 -3.95 119.66 123.99 3lor s GLN 66 Ca -0.13 -0.49 -0.15 0.00 -2.00 0.00 0.00 55.36 52.59 3lor s GLN 66 Cb -0.16 -3.29 -0.05 0.00 0.80 0.00 0.00 33.01 30.32 3lor s GLN 66 CO 0.06 -0.16 0.37 0.08 -0.50 0.00 0.00 175.29 175.14 3lor s VAL 67 N 1.53 5.21 -0.07 1.34 1.01 -1.26 -1.22 120.40 126.93 3lor s VAL 67 Ca 0.06 0.73 0.02 0.00 0.00 0.00 0.00 61.98 62.79 3lor s VAL 67 Cb -0.15 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.55 3lor s VAL 67 CO 0.03 0.43 -0.11 -0.63 0.00 0.00 0.00 175.10 174.82 3lor s ILE 68 N 0.04 1.09 -0.17 2.22 1.01 0.92 -4.11 121.20 122.20 3lor s ILE 68 Ca 0.21 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 3lor s ILE 68 Cb -0.15 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 3lor s ILE 68 CO 0.08 0.35 0.19 -0.83 0.00 0.00 0.00 174.94 174.74 3lor s GLY 69 N 0.77 2.12 -0.18 6.18 0.00 -0.60 0.44 107.32 116.05 3lor s GLY 69 Ca -0.13 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.01 3lor s GLY 69 CO 0.02 0.18 -0.13 -2.27 0.00 0.00 0.00 173.10 170.91 3lor s LEU 70 N 0.21 2.07 -0.29 0.66 2.96 0.37 -1.10 118.68 123.57 3lor s LEU 70 Ca 0.12 -0.72 -0.22 0.00 -0.22 0.00 0.00 54.13 53.09 3lor s LEU 70 Cb -0.12 -1.26 -0.01 0.00 0.50 0.00 0.00 46.19 45.31 3lor s LEU 70 CO 0.01 -0.09 0.71 -2.28 -1.32 0.00 0.00 176.35 173.38 3lor s HIS 71 N 1.41 3.24 -0.49 5.38 5.65 -0.17 -1.95 115.29 128.36 3lor s HIS 71 Ca 0.02 0.79 0.03 0.00 0.25 0.00 0.00 55.06 56.14 3lor s HIS 71 Cb -0.15 -3.05 0.14 0.00 -1.18 0.00 0.00 32.58 28.35 3lor s HIS 71 CO -0.10 -0.46 0.29 -1.12 -0.65 0.00 0.00 174.74 172.70 3lor s SER 72 N 1.56 3.72 -0.34 9.88 0.01 -0.77 -1.79 113.70 125.97 3lor s SER 72 Ca 0.29 -2.90 -0.24 0.00 1.31 0.00 0.00 55.95 54.42 3lor s SER 72 Cb -0.15 -1.16 0.01 0.00 0.21 0.00 0.00 66.02 64.93 3lor s SER 72 CO 0.11 -0.23 0.80 -0.69 0.41 0.00 0.00 173.24 173.64 3lor s VAL 73 N -0.03 4.74 -0.86 3.43 1.01 -1.26 -4.70 120.40 122.73 3lor s VAL 73 Ca 0.20 1.05 0.12 0.00 0.00 0.00 0.00 61.98 63.34 3lor s VAL 73 Cb -0.19 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 3lor s VAL 73 CO -0.04 -0.37 0.61 2.22 0.00 0.00 0.00 175.10 177.52 3lor n PHE 74 N 6.38 0.00 -4.00 5.22 1.16 -1.26 -4.51 117.46 120.45 3lor n PHE 74 Ca 0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.53 3lor n PHE 74 Cb 0.48 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.27 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 -1.75 0.91 -1.45 3.97 -1.05 -1.26 -4.56 118.70 113.51 3lor s GLU 75 Ca 0.08 -1.19 -0.11 0.00 -0.15 0.00 0.00 54.97 53.60 3lor s GLU 75 Cb 0.09 0.30 0.05 0.00 -0.44 0.00 0.00 34.13 34.13 3lor s GLU 75 CO 0.37 -0.28 1.04 0.72 0.95 0.00 0.00 175.26 178.06 3lor n HIS 76 N -0.08 -2.49 -0.23 4.83 8.25 -1.26 -4.84 115.22 119.39 3lor n HIS 76 Ca -0.10 0.95 -0.06 0.00 -0.26 0.00 0.00 57.72 58.24 3lor n HIS 76 Cb 0.63 -4.42 0.04 0.00 1.12 0.00 0.00 29.99 27.36 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 -2.30 0.91 0.00 4.41 3.86 -1.94 -2.65 115.15 117.44 3lor h HIS 77 Ca -0.58 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 58.56 3lor h HIS 77 Cb 1.37 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 29.55 3lor h HIS 77 CO 0.53 0.66 -0.19 0.38 0.86 0.00 0.00 177.93 180.17 3lor h ASP 78 N 0.89 0.00 0.00 2.45 2.03 -2.02 -3.23 116.42 116.54 3lor h ASP 78 Ca 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 3lor h ASP 78 Cb 0.06 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 3lor h ASP 78 CO -0.03 0.19 0.00 0.52 -1.03 0.00 0.00 179.24 178.88 3lor n VAL 79 N -3.79 0.07 0.00 4.15 0.31 -1.00 -5.04 118.33 113.03 3lor n VAL 79 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3lor n VAL 79 Cb 0.29 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 3lor n VAL 79 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3lor n THR 81 N 0.51 0.00 0.25 2.52 -2.24 -1.22 -4.74 114.28 109.35 3lor n THR 81 Ca 0.00 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 3lor n THR 81 Cb 0.08 0.00 0.61 0.00 -2.10 0.00 0.00 70.33 68.92 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 -0.38 -0.78 0.11 -1.96 0.92 132.00 129.91 3lor h PRO 82 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 3lor h PRO 82 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3lor h PRO 82 CO 0.00 0.09 0.02 0.93 -0.21 0.00 0.00 178.00 178.83 3lor h GLU 83 N 0.00 0.66 -0.59 1.05 3.07 -1.99 -2.52 114.58 114.26 3lor h GLU 83 Ca -0.00 -0.20 -0.05 0.00 -0.50 0.00 0.00 59.36 58.61 3lor h GLU 83 Cb 0.17 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 3lor h GLU 83 CO 0.01 0.75 0.19 0.00 -1.40 0.00 0.00 179.01 178.56 3lor h ALA 84 N 0.89 0.77 -0.81 3.43 0.00 -1.35 -2.99 119.26 119.20 3lor h ALA 84 Ca 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3lor h ALA 84 Cb 0.43 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3lor h ALA 84 CO 0.02 0.44 0.40 1.25 0.00 0.00 0.00 179.25 181.35 3lor h LEU 85 N 0.84 1.04 -1.03 0.00 6.46 -0.95 0.76 115.31 122.42 3lor h LEU 85 Ca 0.19 -0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 3lor h LEU 85 Cb 0.28 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 3lor h LEU 85 CO -0.01 0.87 0.20 0.11 -0.62 0.00 0.00 178.44 178.99 3lor h LYS 86 N 1.14 0.90 -0.34 1.25 1.57 -1.31 -1.23 116.57 118.55 3lor h LYS 86 Ca 0.28 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 3lor h LYS 86 Cb 0.10 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3lor h LYS 86 CO -0.04 0.76 0.00 0.28 -0.57 0.00 0.00 179.45 179.89 3lor h VAL 87 N 0.87 1.26 -0.75 0.50 2.07 -1.01 -1.71 116.25 117.47 3lor h VAL 87 Ca 0.20 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.77 3lor h VAL 87 Cb 0.23 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 3lor h VAL 87 CO -0.01 0.32 0.49 0.15 0.02 0.00 0.00 177.57 178.54 3lor h PHE 88 N 0.40 0.95 -0.59 1.57 3.57 -0.64 0.16 116.94 122.37 3lor h PHE 88 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 3lor h PHE 88 Cb 0.44 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3lor h PHE 88 CO 0.04 0.61 0.23 0.82 -2.23 0.00 0.00 178.31 177.77 3lor h ILE 89 N 1.02 1.23 -0.37 1.41 2.04 -1.13 -0.62 117.51 121.09 3lor h ILE 89 Ca 0.27 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 3lor h ILE 89 Cb -0.11 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 3lor h ILE 89 CO -0.06 0.28 0.09 -0.78 0.00 0.00 0.00 178.15 177.69 3lor h ASP 90 N 0.82 0.56 -0.35 1.72 3.58 -0.47 -0.61 116.42 121.68 3lor h ASP 90 Ca 0.20 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 3lor h ASP 90 Cb 0.22 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 3lor h ASP 90 CO -0.01 0.64 0.14 -0.33 -2.88 0.00 0.00 179.24 176.80 3lor h GLU 91 N 0.45 0.52 -0.06 0.28 4.39 -0.50 -2.90 114.58 116.76 3lor h GLU 91 Ca 0.12 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3lor h GLU 91 Cb 0.30 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3lor h GLU 91 CO 0.00 0.51 0.00 1.19 -1.16 0.00 0.00 179.01 179.55 3lor n PHE 92 N -4.69 0.07 -3.72 4.33 3.01 -0.26 -4.92 117.46 111.29 3lor n PHE 92 Ca -0.01 -0.04 -0.26 0.00 1.01 0.00 0.00 57.45 58.16 3lor n PHE 92 Cb 0.14 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.67 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 1.07 -0.50 3.68 1.37 0.00 -0.33 -4.96 105.19 105.52 3lor n GLY 93 Ca 0.18 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.34 4.44 -0.72 -0.61 1.01 -0.61 -4.93 121.20 116.44 3lor s ILE 94 Ca 0.53 1.74 0.09 0.00 0.00 0.00 0.00 60.65 63.02 3lor s ILE 94 Cb -0.25 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.07 3lor s ILE 94 CO 0.78 -0.02 0.54 0.29 0.00 0.00 0.00 174.94 176.53 3lor n LYS 95 N 5.29 2.63 -2.44 2.79 5.02 -1.26 -4.84 118.16 125.35 3lor n LYS 95 Ca 0.11 -0.44 -0.32 0.00 -2.02 0.00 0.00 58.31 55.64 3lor n LYS 95 Cb 0.47 -1.01 -0.04 0.00 -0.02 0.00 0.00 35.03 34.43 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 -1.38 3.44 0.28 2.13 -0.71 -1.26 -4.99 117.98 115.49 3lor s PHE 96 Ca 0.06 1.48 -0.30 0.00 -1.04 0.00 0.00 56.93 57.13 3lor s PHE 96 Cb 0.07 -2.80 -0.11 0.00 -1.21 0.00 0.00 43.02 38.98 3lor s PHE 96 CO 0.25 -0.34 1.50 -1.25 -1.34 0.00 0.00 175.22 174.04 3lor s PRO 97 N -3.99 4.20 -0.04 1.99 0.04 -1.26 -4.79 135.00 131.15 3lor s PRO 97 Ca 0.59 2.43 0.04 0.00 0.04 0.00 0.00 61.00 64.11 3lor s PRO 97 Cb -0.10 -3.06 -0.00 0.00 0.04 0.00 0.00 34.50 31.38 3lor s PRO 97 CO 0.30 -0.50 -0.17 0.08 0.04 0.00 0.00 177.00 176.75 3lor s VAL 98 N -0.15 1.39 0.08 -0.36 1.01 -1.26 -1.56 120.40 119.54 3lor s VAL 98 Ca 0.60 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.96 3lor s VAL 98 Cb -0.45 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3lor s VAL 98 CO 0.47 0.40 -0.22 0.00 0.00 0.00 0.00 175.10 175.76 3lor s ALA 99 N 0.02 1.85 -0.13 5.51 0.00 -0.26 -2.17 121.76 126.58 3lor s ALA 99 Ca -0.03 -1.19 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 3lor s ALA 99 Cb -0.11 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 3lor s ALA 99 CO 0.02 0.40 0.39 0.08 0.00 0.00 0.00 175.76 176.65 3lor s VAL 100 N -1.00 5.24 0.00 0.00 1.01 0.44 -1.00 120.40 125.09 3lor s VAL 100 Ca 0.08 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3lor s VAL 100 Cb -0.10 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3lor s VAL 100 CO 0.03 0.36 0.00 -0.67 0.00 0.00 0.00 175.10 174.82 3lor n ASP 101 N 3.58 0.00 -4.27 3.32 4.64 -0.74 -1.17 116.55 121.91 3lor n ASP 101 Ca -0.09 0.00 -0.15 0.00 -1.38 0.00 0.00 54.79 53.17 3lor n ASP 101 Cb 0.52 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.50 3lor n ASP 101 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3lor s PRO 103 N 0.00 1.21 -0.11 -0.67 0.04 -1.26 -4.44 135.00 129.78 3lor s PRO 103 Ca 0.00 -1.61 0.02 0.00 0.04 0.00 0.00 61.00 59.46 3lor s PRO 103 Cb 0.00 -0.32 -0.01 0.00 0.04 0.00 0.00 34.50 34.21 3lor s PRO 103 CO 0.00 -0.16 -0.19 1.03 0.04 0.00 0.00 177.00 177.72 3lor s ARG 104 N -3.93 3.13 0.13 4.56 0.52 -1.26 -4.65 118.95 117.44 3lor s ARG 104 Ca 0.28 -0.79 -0.31 0.00 -0.52 0.00 0.00 55.73 54.39 3lor s ARG 104 Cb 0.06 -2.44 -0.10 0.00 0.52 0.00 0.00 34.95 33.00 3lor s ARG 104 CO 0.07 0.23 1.63 -1.83 0.02 0.00 0.00 175.30 175.42 3lor s GLU 105 N 0.25 4.20 -0.01 3.54 4.04 -1.26 -1.66 118.70 127.79 3lor s GLU 105 Ca -0.13 2.38 0.00 0.00 0.04 0.00 0.00 54.97 57.26 3lor s GLU 105 Cb -0.16 -3.34 0.00 0.00 0.02 0.00 0.00 34.13 30.64 3lor s GLU 105 CO 0.07 -0.68 0.00 0.41 -1.84 0.00 0.00 175.26 173.22 3lor n GLY 106 N 3.89 0.45 3.21 -3.83 0.00 -1.26 -5.02 105.19 102.63 3lor n GLY 106 Ca 0.15 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.32 2.13 0.03 1.61 -1.52 -0.67 -5.06 119.66 115.87 3lor s GLN 107 Ca 0.00 -0.76 -0.25 0.00 -1.95 0.00 0.00 55.36 52.40 3lor s GLN 107 Cb 0.00 -1.84 -0.17 0.00 -0.22 0.00 0.00 33.01 30.77 3lor s GLN 107 CO 0.00 0.33 1.47 0.07 -0.25 0.00 0.00 175.29 176.91 3lor h ARG 108 N 6.10 -0.15 -6.19 2.91 -0.00 -1.89 -3.42 114.38 111.74 3lor h ARG 108 Ca -0.33 0.01 -0.58 0.00 -0.00 0.00 0.00 59.98 59.08 3lor h ARG 108 Cb 1.17 0.03 -0.04 0.00 -0.00 0.00 0.00 29.97 31.13 3lor h ARG 108 CO 0.47 0.10 -0.10 0.96 -0.00 0.00 0.00 179.97 181.40 3lor s ILE 109 N -5.22 4.85 0.88 0.08 -5.25 -1.26 -4.35 121.20 110.93 3lor s ILE 109 Ca -0.15 1.00 -0.13 0.00 -0.99 0.00 0.00 60.65 60.39 3lor s ILE 109 Cb 0.04 -3.80 0.15 0.00 2.95 0.00 0.00 42.46 41.80 3lor s ILE 109 CO 0.64 0.48 1.23 -2.16 -1.79 0.00 0.00 174.94 173.33 3lor s PRO 110 N -1.33 1.17 0.04 0.37 0.04 -1.26 -4.45 135.00 129.58 3lor s PRO 110 Ca 0.30 -0.38 -0.25 0.00 0.04 0.00 0.00 61.00 60.71 3lor s PRO 110 Cb -0.17 -1.95 -0.17 0.00 0.04 0.00 0.00 34.50 32.24 3lor s PRO 110 CO 0.18 -2.03 1.51 1.03 0.04 0.00 0.00 177.00 177.72 3lor h SER 111 N -1.30 -0.17 0.00 6.66 0.87 -1.87 -0.99 113.55 116.75 3lor h SER 111 Ca -0.44 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 3lor h SER 111 Cb 1.26 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 3lor h SER 111 CO 0.46 0.05 0.00 0.41 -0.53 0.00 0.00 176.83 177.21 3lor n THR 112 N -5.09 0.28 0.00 2.23 -1.04 -1.26 -2.23 114.28 107.17 3lor n THR 112 Ca -0.09 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3lor n THR 112 Cb 0.17 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 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 0.89 0.00 0.25 -2.82 0.00 -0.38 -2.85 118.16 113.25 3lor n LYS 114 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 58.31 58.38 3lor n LYS 114 Cb 0.14 0.00 0.59 0.00 0.00 0.00 0.00 35.03 35.76 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 0.00 -0.54 1.64 3.64 -1.71 -1.00 116.57 118.59 3lor h LYS 115 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3lor h LYS 115 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3lor h LYS 115 CO 0.00 0.07 0.00 0.66 -2.27 0.00 0.00 179.45 177.91 3lor n TYR 116 N -4.45 0.72 -3.90 1.91 4.01 -1.13 -4.95 117.16 109.37 3lor n TYR 116 Ca -0.03 -0.36 -0.27 0.00 -0.16 0.00 0.00 57.90 57.08 3lor n TYR 116 Cb 0.15 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.19 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 1.32 -4.58 -2.40 -0.72 1.74 -0.38 -4.89 116.66 106.76 3lor n ARG 117 Ca 0.20 0.53 -0.39 0.00 -0.77 0.00 0.00 57.85 57.42 3lor n ARG 117 Cb 0.54 -5.15 -0.04 0.00 -1.02 0.00 0.00 32.46 26.80 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 -7.04 4.42 0.23 0.55 1.43 -1.26 -4.95 118.68 112.06 3lor s LEU 118 Ca 0.34 2.32 -0.04 0.00 -1.03 0.00 0.00 54.13 55.71 3lor s LEU 118 Cb -0.17 -3.77 0.24 0.00 0.03 0.00 0.00 46.19 42.51 3lor s LEU 118 CO 0.85 -0.34 1.72 -0.08 0.23 0.00 0.00 176.35 178.73 3lor h GLU 119 N 3.37 0.90 0.00 1.70 4.81 -1.97 -3.49 114.58 119.89 3lor h GLU 119 Ca -0.48 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.50 3lor h GLU 119 Cb 1.22 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3lor h GLU 119 CO 0.65 0.89 0.00 0.41 -0.73 0.00 0.00 179.01 180.23 3lor n GLY 120 N -0.57 -0.71 3.61 1.92 0.00 -1.26 -5.14 105.19 103.04 3lor n GLY 120 Ca 0.03 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.00 3.79 0.39 2.61 -4.23 -1.26 -3.46 115.64 110.47 3lor s THR 121 Ca 0.00 -0.65 -0.17 0.00 -1.18 0.00 0.00 61.69 59.70 3lor s THR 121 Cb 0.00 -2.63 -0.09 0.00 1.34 0.00 0.00 72.50 71.12 3lor s THR 121 CO 0.00 0.45 0.83 -2.16 -0.54 0.00 0.00 174.62 173.20 3lor s PRO 122 N -1.28 4.05 0.06 3.99 0.04 -1.26 -4.87 135.00 135.73 3lor s PRO 122 Ca 0.16 0.82 0.04 0.00 0.04 0.00 0.00 61.00 62.06 3lor s PRO 122 Cb -0.11 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 3lor s PRO 122 CO 0.06 0.03 -0.11 -1.12 0.04 0.00 0.00 177.00 175.90 3lor s SER 123 N -2.42 1.31 -0.06 6.66 0.01 -0.65 -1.56 113.70 116.98 3lor s SER 123 Ca 0.57 -0.62 0.05 0.00 1.31 0.00 0.00 55.95 57.25 3lor s SER 123 Cb -0.10 -0.01 -0.00 0.00 0.21 0.00 0.00 66.02 66.12 3lor s SER 123 CO 0.19 -0.16 -0.21 -0.63 0.41 0.00 0.00 173.24 172.84 3lor s ILE 124 N -1.52 1.79 -0.14 1.44 1.01 -0.48 0.23 121.20 123.54 3lor s ILE 124 Ca -0.04 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.73 3lor s ILE 124 Cb -0.09 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.86 3lor s ILE 124 CO 0.01 0.50 -0.20 -0.63 0.00 0.00 0.00 174.94 174.62 3lor s ILE 125 N 0.07 1.93 -0.16 2.92 1.01 -0.28 -1.68 121.20 125.00 3lor s ILE 125 Ca -0.08 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 3lor s ILE 125 Cb -0.14 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3lor s ILE 125 CO 0.04 0.52 -0.03 -0.76 0.00 0.00 0.00 174.94 174.71 3lor s LEU 126 N 0.89 3.24 0.08 2.97 1.43 0.13 -0.68 118.68 126.74 3lor s LEU 126 Ca -0.06 -0.15 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 3lor s LEU 126 Cb -0.15 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 3lor s LEU 126 CO -0.03 0.15 -0.18 0.00 0.23 0.00 0.00 176.35 176.53 3lor s ALA 127 N 0.47 1.49 0.89 4.21 0.00 -0.74 -0.46 121.76 127.63 3lor s ALA 127 Ca -0.03 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 50.76 3lor s ALA 127 Cb -0.14 -0.19 0.13 0.00 0.00 0.00 0.00 23.12 22.92 3lor s ALA 127 CO 0.03 0.27 0.79 -0.40 0.00 0.00 0.00 175.76 176.45 3lor n ASP 128 N 1.30 0.30 0.30 0.00 3.85 -0.66 -1.73 116.55 119.90 3lor n ASP 128 Ca -0.20 -1.43 0.18 0.00 -0.71 0.00 0.00 54.79 52.64 3lor n ASP 128 Cb 0.54 -0.58 0.88 0.00 -1.35 0.00 0.00 41.12 40.61 3lor n ASP 128 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 3lor h ARG 129 N 0.00 0.00 -0.70 0.11 3.08 -1.86 -1.30 114.38 113.72 3lor h ARG 129 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3lor h ARG 129 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 3lor h ARG 129 CO 0.20 0.03 0.00 1.63 -1.07 0.00 0.00 179.97 180.76 3lor n LYS 130 N -3.18 2.68 -0.78 0.04 5.02 -1.26 -1.28 118.16 119.40 3lor n LYS 130 Ca -0.01 -2.60 0.00 0.00 -2.02 0.00 0.00 58.31 53.68 3lor n LYS 130 Cb 0.22 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 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 1.65 0.79 3.76 0.72 0.00 -0.49 -4.98 105.19 106.64 3lor n GLY 131 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 3lor n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lor s ARG 132 N -0.22 4.50 -0.15 1.61 0.52 -1.26 -0.91 118.95 123.03 3lor s ARG 132 Ca 0.00 1.08 -0.29 0.00 -0.52 0.00 0.00 55.73 55.99 3lor s ARG 132 Cb 0.00 -3.32 -0.02 0.00 0.52 0.00 0.00 34.95 32.13 3lor s ARG 132 CO 0.00 0.41 1.38 0.42 0.02 0.00 0.00 175.30 177.53 3lor s ILE 133 N -0.52 4.08 -0.10 1.52 1.01 0.38 -1.65 121.20 125.91 3lor s ILE 133 Ca 0.37 1.29 0.18 0.00 0.00 0.00 0.00 60.65 62.49 3lor s ILE 133 Cb -0.21 -3.87 -0.26 0.00 0.01 0.00 0.00 42.46 38.13 3lor s ILE 133 CO 0.24 -0.15 0.24 0.54 0.00 0.00 0.00 174.94 175.81 3lor n ARG 134 N 6.84 0.82 -3.69 2.79 5.12 0.40 -4.62 116.66 124.32 3lor n ARG 134 Ca 0.15 -0.09 -0.14 0.00 -1.93 0.00 0.00 57.85 55.84 3lor n ARG 134 Cb 0.44 -1.46 -0.09 0.00 -1.16 0.00 0.00 32.46 30.19 3lor n ARG 134 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3lor s GLN 135 N -2.89 0.66 -0.07 5.56 2.00 -0.60 -4.96 119.66 119.36 3lor s GLN 135 Ca -0.08 0.54 0.02 0.00 -2.00 0.00 0.00 55.36 53.84 3lor s GLN 135 Cb 0.09 0.32 0.01 0.00 0.80 0.00 0.00 33.01 34.23 3lor s GLN 135 CO 0.78 -0.12 -0.12 0.08 -0.50 0.00 0.00 175.29 175.41 3lor s VAL 136 N -0.11 1.12 -0.02 1.34 1.01 -1.26 0.22 120.40 122.70 3lor s VAL 136 Ca -0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 3lor s VAL 136 Cb -0.03 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.33 3lor s VAL 136 CO 0.02 0.35 0.04 0.00 0.00 0.00 0.00 175.10 175.52 3lor s GLN 137 N 0.73 0.00 0.04 2.72 -2.07 -0.68 -4.99 119.66 115.42 3lor s GLN 137 Ca -0.13 0.14 0.04 0.00 -1.82 0.00 0.00 55.36 53.58 3lor s GLN 137 Cb -0.16 -0.12 -0.04 0.00 -1.09 0.00 0.00 33.01 31.60 3lor s GLN 137 CO 0.03 -0.09 -0.02 0.12 -1.32 0.00 0.00 175.29 174.01 3lor s PHE 138 N 0.61 2.99 0.00 9.60 5.36 -1.26 -1.38 117.98 133.89 3lor s PHE 138 Ca -0.05 -0.00 0.00 0.00 -0.96 0.00 0.00 56.93 55.92 3lor s PHE 138 Cb -0.07 -1.59 0.00 0.00 -0.34 0.00 0.00 43.02 41.02 3lor s PHE 138 CO -0.02 0.45 0.00 0.41 -1.46 0.00 0.00 175.22 174.60 3lor n GLY 139 N 1.04 -1.93 3.75 13.12 0.00 -0.60 -4.92 105.19 115.65 3lor n GLY 139 Ca -0.13 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 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 4.38 -0.04 1.61 0.74 -1.26 -4.84 119.66 120.24 3lor s GLN 140 Ca 0.00 2.13 0.05 0.00 0.05 0.00 0.00 55.36 57.59 3lor s GLN 140 Cb 0.00 -3.13 -0.00 0.00 1.10 0.00 0.00 33.01 30.98 3lor s GLN 140 CO 0.00 -0.20 -0.18 0.08 -0.55 0.00 0.00 175.29 174.44 3lor s VAL 141 N -0.54 1.51 0.49 1.34 1.01 -1.26 -5.13 120.40 117.81 3lor s VAL 141 Ca 0.53 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 61.52 3lor s VAL 141 Cb -0.38 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 3lor s VAL 141 CO 0.45 0.43 1.24 -0.62 0.00 0.00 0.00 175.10 176.60 3lor s ASP 142 N 0.01 5.85 0.18 3.32 2.15 -1.26 -4.89 116.67 122.03 3lor s ASP 142 Ca -0.04 2.47 -0.12 0.00 0.43 0.00 0.00 52.55 55.30 3lor s ASP 142 Cb -0.12 -2.61 0.10 0.00 -0.30 0.00 0.00 42.92 39.98 3lor s ASP 142 CO 0.02 -1.15 1.79 0.44 -0.17 0.00 0.00 175.17 176.11 3lor h ASP 143 N 1.85 0.78 -0.43 -0.34 5.19 -2.00 -1.38 116.42 120.09 3lor h ASP 143 Ca -0.50 -0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 55.80 3lor h ASP 143 Cb 1.27 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.56 3lor h ASP 143 CO 0.59 0.65 0.21 0.15 -3.12 0.00 0.00 179.24 177.73 3lor h PHE 144 N 0.85 0.61 -0.54 4.55 3.57 -1.99 -1.16 116.94 122.83 3lor h PHE 144 Ca 0.22 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3lor h PHE 144 Cb 0.05 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3lor h PHE 144 CO -0.01 0.49 0.25 0.28 -2.23 0.00 0.00 178.31 177.09 3lor h VAL 145 N 0.55 1.21 -0.43 1.41 2.07 -1.85 -1.58 116.25 117.63 3lor h VAL 145 Ca 0.15 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3lor h VAL 145 Cb 0.10 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3lor h VAL 145 CO -0.02 0.24 0.15 0.25 0.02 0.00 0.00 177.57 178.20 3lor h LEU 146 N 0.73 0.56 -0.33 2.57 5.85 -1.04 -1.55 115.31 122.11 3lor h LEU 146 Ca 0.18 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3lor h LEU 146 Cb 0.14 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3lor h LEU 146 CO -0.02 0.53 0.16 1.23 -0.34 0.00 0.00 178.44 180.00 3lor h GLY 147 N 0.79 0.50 0.98 3.75 0.00 -0.60 -2.01 103.07 106.48 3lor h GLY 147 Ca 0.15 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 3lor h GLY 147 CO -0.01 0.23 0.18 1.41 0.00 0.00 0.00 176.54 178.35 3lor h LEU 148 N 0.39 0.35 -0.23 3.11 3.38 -0.47 -0.24 115.31 121.61 3lor h LEU 148 Ca 0.11 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3lor h LEU 148 Cb 0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3lor h LEU 148 CO -0.01 0.29 0.12 -0.07 0.09 0.00 0.00 178.44 178.86 3lor h LEU 149 N 0.38 0.28 -0.72 1.67 3.38 -1.25 -0.47 115.31 118.58 3lor h LEU 149 Ca 0.11 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3lor h LEU 149 Cb 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3lor h LEU 149 CO -0.02 0.29 0.06 -0.07 0.09 0.00 0.00 178.44 178.78 3lor h LEU 150 N 0.26 1.00 -0.70 1.67 3.38 -1.23 -2.57 115.31 117.12 3lor h LEU 150 Ca 0.08 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3lor h LEU 150 Cb 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3lor h LEU 150 CO -0.01 1.02 0.25 1.23 0.09 0.00 0.00 178.44 181.02 3lor h GLY 151 N 1.02 1.15 1.04 0.83 0.00 -0.82 -0.25 103.07 106.04 3lor h GLY 151 Ca 0.18 -0.65 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 3lor h GLY 151 CO 0.02 0.61 0.20 0.23 0.00 0.00 0.00 176.54 177.60 3lor h SER 152 N 1.02 1.00 -0.49 0.19 0.87 -0.97 -2.92 113.55 112.26 3lor h SER 152 Ca 0.23 -0.22 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 3lor h SER 152 Cb 0.25 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3lor h SER 152 CO -0.01 0.96 -0.05 -0.07 -0.53 0.00 0.00 176.83 177.13 3lor h LEU 153 N 1.00 0.92 -1.44 2.23 3.38 -1.03 -2.47 115.31 117.90 3lor h LEU 153 Ca 0.22 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3lor h LEU 153 Cb 0.32 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3lor h LEU 153 CO -0.00 1.01 -0.23 -0.07 0.09 0.00 0.00 178.44 179.24 3lor h LEU 154 N 0.86 0.08 0.00 1.67 3.38 -0.96 -3.27 115.31 117.06 3lor h LEU 154 Ca 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3lor h LEU 154 Cb 0.57 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3lor h LEU 154 CO 0.03 0.31 -1.89 -1.20 0.09 0.00 0.00 178.44 175.79 3lor n SER 155 N -4.24 0.11 -4.55 -0.43 7.64 -1.11 -4.97 113.62 106.08 3lor n SER 155 Ca -0.02 -0.10 -0.46 0.00 1.01 0.00 0.00 58.87 59.30 3lor n SER 155 Cb 0.30 1.88 -0.02 0.00 -1.01 0.00 0.00 64.21 65.37 3lor n SER 155 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3lor n GLU 156 N -2.18 1.04 0.00 1.43 2.13 -0.94 -5.10 120.64 117.01 3lor n GLU 156 Ca -0.03 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.15 3lor n GLU 156 Cb 0.54 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.59 3lor n GLU 156 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97