#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1frk s PHE 2 N 0.00 3.49 -0.03 0.00 0.40 -1.26 -1.70 117.98 118.87 1frk s PHE 2 Ca 0.00 0.18 0.03 0.00 -0.60 0.00 0.00 56.93 56.54 1frk s PHE 2 Cb 0.00 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.81 1frk s PHE 2 CO 0.00 0.50 -0.13 0.08 0.70 0.00 0.00 175.22 176.37 1frk s VAL 3 N -1.73 1.07 -0.11 -0.44 1.01 0.13 -4.68 120.40 115.64 1frk s VAL 3 Ca 0.35 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 1frk s VAL 3 Cb -0.11 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1frk s VAL 3 CO 0.28 0.32 0.46 -0.69 0.00 0.00 0.00 175.10 175.47 1frk s VAL 4 N 0.11 5.18 0.00 2.92 1.01 -1.26 -1.97 120.40 126.40 1frk s VAL 4 Ca -0.03 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.86 1frk s VAL 4 Cb -0.10 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1frk s VAL 4 CO 0.01 0.35 0.00 0.35 0.00 0.00 0.00 175.10 175.81 1frk n THR 5 N 3.52 0.00 -0.30 3.92 -2.24 0.29 -4.88 114.28 114.59 1frk n THR 5 Ca -0.08 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.80 1frk n THR 5 Cb 0.52 -0.30 0.33 0.00 -2.10 0.00 0.00 70.33 68.78 1frk n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1frk h ASP 6 N 0.00 0.74 0.78 3.42 3.58 -1.95 -2.72 116.42 120.28 1frk h ASP 6 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1frk h ASP 6 Cb 0.00 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.94 1frk h ASP 6 CO 0.00 0.38 0.00 -3.20 -2.88 0.00 0.00 179.24 173.54 1frk n ASN 7 N -4.58 0.18 0.09 2.28 5.15 -1.26 -1.77 115.26 115.35 1frk n ASN 7 Ca 0.18 0.53 -0.02 0.00 -0.60 0.00 0.00 54.58 54.67 1frk n ASN 7 Cb 0.43 -0.58 0.23 0.00 -0.53 0.00 0.00 39.78 39.33 1frk n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1frk n ILE 9 N -4.06 0.22 -1.33 0.00 5.41 -0.73 -0.74 119.36 118.13 1frk n ILE 9 Ca -0.01 -0.05 -0.12 0.00 1.00 0.00 0.00 62.75 63.56 1frk n ILE 9 Cb 0.45 -1.98 -0.05 0.00 -0.71 0.00 0.00 39.64 37.35 1frk n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1frk n LYS 10 N 3.58 -1.69 0.01 0.38 5.02 -0.63 -4.77 118.16 120.08 1frk n LYS 10 Ca 0.14 0.91 -0.01 0.00 -2.02 0.00 0.00 58.31 57.33 1frk n LYS 10 Cb 0.35 -5.32 -0.00 0.00 -0.02 0.00 0.00 35.03 30.04 1frk n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1frk n LYS 12 N -3.21 -0.64 0.19 0.00 4.81 0.08 -2.51 118.16 116.89 1frk n LYS 12 Ca -0.02 0.24 0.04 0.00 -0.87 0.00 0.00 58.31 57.70 1frk n LYS 12 Cb 0.06 -3.14 0.43 0.00 0.02 0.00 0.00 35.03 32.39 1frk n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1frk h TYR 13 N -2.29 0.05 -0.18 5.64 0.05 -1.90 -3.31 116.97 115.03 1frk h TYR 13 Ca -0.69 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.01 1frk h TYR 13 Cb 1.39 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 39.08 1frk h TYR 13 CO 0.35 0.29 -0.07 0.25 -1.05 0.00 0.00 178.16 177.93 1frk n THR 14 N -4.23 0.00 -0.12 -2.88 -2.24 -1.26 -4.19 114.28 99.35 1frk n THR 14 Ca -0.02 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.91 1frk n THR 14 Cb 0.31 -1.09 0.53 0.00 -2.10 0.00 0.00 70.33 67.97 1frk n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1frk h ASP 15 N 0.00 0.34 -0.39 3.42 3.32 -1.90 -2.67 116.42 118.53 1frk h ASP 15 Ca -0.08 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.00 1frk h ASP 15 Cb 0.97 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1frk h ASP 15 CO 0.11 0.18 0.26 0.00 -1.72 0.00 0.00 179.24 178.08 1frk h VAL 17 N 0.49 0.61 -0.76 0.00 -1.51 -1.86 -3.08 116.25 110.14 1frk h VAL 17 Ca 0.15 -0.83 0.01 0.00 -1.23 0.00 0.00 66.70 64.80 1frk h VAL 17 Cb 0.00 1.54 -0.04 0.00 -2.13 0.00 0.00 31.29 30.66 1frk h VAL 17 CO -0.03 0.18 0.50 -0.33 -1.23 0.00 0.00 177.57 176.66 1frk h GLU 18 N 0.00 1.01 -0.00 5.19 3.07 -1.63 -2.86 114.58 119.36 1frk h GLU 18 Ca -0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1frk h GLU 18 Cb 0.52 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1frk h GLU 18 CO 0.02 0.67 -0.47 1.55 -1.40 0.00 0.00 179.01 179.39 1frk n VAL 19 N -4.41 0.00 -2.22 3.13 3.14 -1.16 -4.91 118.33 111.89 1frk n VAL 19 Ca 0.08 -0.05 -0.43 0.00 -2.96 0.00 0.00 64.34 60.98 1frk n VAL 19 Cb 0.03 0.41 -0.02 0.00 -1.06 0.00 0.00 33.84 33.19 1frk n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1frk h PRO 21 N 10.11 0.00 -0.07 0.00 0.13 -1.91 -3.30 132.00 136.97 1frk h PRO 21 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1frk h PRO 21 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1frk h PRO 21 CO 1.01 0.21 0.00 1.33 -0.23 0.00 0.00 178.00 180.32 1frk n VAL 22 N -3.45 0.23 -3.52 1.56 0.24 -1.26 -5.01 118.33 107.12 1frk n VAL 22 Ca -0.00 -0.62 -0.23 0.00 -2.04 0.00 0.00 64.34 61.46 1frk n VAL 22 Cb 0.39 1.03 0.05 0.00 -1.47 0.00 0.00 33.84 33.84 1frk n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1frk n ASP 23 N 0.46 -4.67 -1.73 -1.34 8.00 -1.24 -4.95 116.55 111.08 1frk n ASP 23 Ca 0.06 -0.84 -0.17 0.00 0.71 0.00 0.00 54.79 54.55 1frk n ASP 23 Cb 0.26 -4.28 0.15 0.00 -0.02 0.00 0.00 41.12 37.23 1frk n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1frk s PHE 25 N -3.42 3.32 -0.01 0.00 0.08 -1.26 -0.75 117.98 115.94 1frk s PHE 25 Ca 0.52 0.26 0.05 0.00 0.12 0.00 0.00 56.93 57.88 1frk s PHE 25 Cb 0.44 -1.91 -0.01 0.00 -0.57 0.00 0.00 43.02 40.97 1frk s PHE 25 CO 0.02 0.47 -0.16 0.71 -0.10 0.00 0.00 175.22 176.17 1frk s TYR 26 N -0.59 1.40 -0.18 0.36 1.51 -0.48 -1.22 117.35 118.14 1frk s TYR 26 Ca 0.11 -0.27 -0.06 0.00 -1.01 0.00 0.00 57.07 55.84 1frk s TYR 26 Cb -0.12 -0.90 -0.03 0.00 -0.11 0.00 0.00 41.96 40.79 1frk s TYR 26 CO 0.02 -0.03 0.03 -2.00 -1.11 0.00 0.00 175.55 172.47 1frk s GLU 27 N -0.35 3.83 0.42 -0.62 2.12 0.13 -1.87 118.70 122.37 1frk s GLU 27 Ca 0.06 -0.42 0.07 0.00 0.36 0.00 0.00 54.97 55.03 1frk s GLU 27 Cb -0.06 -3.14 -0.06 0.00 0.26 0.00 0.00 34.13 31.13 1frk s GLU 27 CO -0.01 0.19 0.07 0.20 -0.54 0.00 0.00 175.26 175.17 1frk s GLY 28 N 0.56 2.51 0.26 -1.50 0.00 -0.62 -3.83 107.32 104.69 1frk s GLY 28 Ca 0.01 -2.06 -0.02 0.00 0.00 0.00 0.00 44.72 42.65 1frk s GLY 28 CO 0.02 -2.05 1.72 -2.55 0.00 0.00 0.00 173.10 170.23 1frk h PRO 29 N 1.61 0.42 0.00 2.90 0.11 -1.87 -3.27 132.00 131.90 1frk h PRO 29 Ca -0.43 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 1frk h PRO 29 Cb 1.25 -0.09 -0.32 0.00 0.11 0.00 0.00 31.00 31.95 1frk h PRO 29 CO 0.77 0.28 -0.93 0.27 -0.21 0.00 0.00 178.00 178.17 1frk n ASN 30 N -5.02 1.08 -3.52 -2.05 0.23 -1.26 -5.05 115.26 99.67 1frk n ASN 30 Ca 0.16 -2.29 -0.14 0.00 -0.53 0.00 0.00 54.58 51.79 1frk n ASN 30 Cb 0.47 -0.33 -0.05 0.00 -2.08 0.00 0.00 39.78 37.79 1frk n ASN 30 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1frk s PHE 31 N -0.49 -0.52 0.16 -2.53 5.36 -1.23 -1.60 117.98 117.13 1frk s PHE 31 Ca 0.33 0.73 0.09 0.00 -0.96 0.00 0.00 56.93 57.13 1frk s PHE 31 Cb 0.37 0.46 -0.04 0.00 -0.34 0.00 0.00 43.02 43.47 1frk s PHE 31 CO -0.15 -0.57 -0.14 -0.51 -1.46 0.00 0.00 175.22 172.40 1frk s LEU 32 N -1.61 2.83 0.16 6.12 1.43 -1.26 -1.58 118.68 124.77 1frk s LEU 32 Ca -0.04 -0.60 0.07 0.00 -1.03 0.00 0.00 54.13 52.53 1frk s LEU 32 Cb -0.00 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1frk s LEU 32 CO 0.01 0.13 -0.14 0.68 0.23 0.00 0.00 176.35 177.26 1frk s VAL 33 N -1.51 1.53 -0.19 -1.59 -7.23 -0.78 -4.72 120.40 105.90 1frk s VAL 33 Ca 0.22 -1.97 -0.09 0.00 -1.81 0.00 0.00 61.98 58.34 1frk s VAL 33 Cb -0.09 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 1frk s VAL 33 CO 0.13 -0.51 0.11 -0.63 -0.31 0.00 0.00 175.10 173.89 1frk s ILE 34 N -2.57 5.23 -0.17 -0.62 1.01 -1.26 -1.38 121.20 121.45 1frk s ILE 34 Ca 0.16 0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 1frk s ILE 34 Cb -0.03 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 1frk s ILE 34 CO 0.05 0.45 1.36 -0.62 0.00 0.00 0.00 174.94 176.18 1frk s ASP 35 N 0.29 6.82 0.31 3.58 -1.08 0.07 -4.47 116.67 122.20 1frk s ASP 35 Ca 0.07 1.73 0.10 0.00 -0.52 0.00 0.00 52.55 53.93 1frk s ASP 35 Cb -0.11 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.30 1frk s ASP 35 CO -0.01 -0.86 1.70 1.55 0.52 0.00 0.00 175.17 178.06 1frk h PRO 36 N 8.75 0.05 -0.07 4.34 0.13 -1.89 -1.79 132.00 141.52 1frk h PRO 36 Ca -0.29 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 64.65 1frk h PRO 36 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1frk h PRO 36 CO 0.98 0.54 -0.67 -0.44 -0.23 0.00 0.00 178.00 178.18 1frk h ASP 37 N 0.04 0.35 0.58 1.44 3.32 -1.99 -3.23 116.42 116.93 1frk h ASP 37 Ca -0.00 -0.22 -0.28 0.00 0.02 0.00 0.00 57.03 56.55 1frk h ASP 37 Cb 0.90 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 1frk h ASP 37 CO 0.07 0.92 -1.35 -0.33 -1.72 0.00 0.00 179.24 176.83 1frk h GLU 38 N 0.22 0.25 -6.64 3.56 5.08 -1.86 -3.47 114.58 111.71 1frk h GLU 38 Ca -0.02 -0.42 -0.57 0.00 -1.00 0.00 0.00 59.36 57.35 1frk h GLU 38 Cb 1.21 0.16 0.08 0.00 0.50 0.00 0.00 28.75 30.70 1frk h GLU 38 CO 0.11 1.16 0.69 0.00 -1.00 0.00 0.00 179.01 179.97 1frk n ILE 40 N 1.99 1.14 -2.99 0.00 -5.35 -1.26 -4.77 119.36 108.12 1frk n ILE 40 Ca 0.11 -1.04 -0.22 0.00 -0.27 0.00 0.00 62.75 61.33 1frk n ILE 40 Cb 0.33 0.44 0.02 0.00 -1.74 0.00 0.00 39.64 38.68 1frk n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1frk n ASP 41 N 1.39 -5.33 0.19 7.28 8.00 -1.26 -4.87 116.55 121.95 1frk n ASP 41 Ca 0.23 -0.24 0.14 0.00 0.71 0.00 0.00 54.79 55.63 1frk n ASP 41 Cb 0.64 -4.35 0.60 0.00 -0.02 0.00 0.00 41.12 37.98 1frk n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1frk n ALA 43 N -1.89 -0.07 0.23 0.00 0.00 -1.26 -4.88 120.51 112.64 1frk n ALA 43 Ca 0.01 0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.62 1frk n ALA 43 Cb 0.23 -1.50 0.52 0.00 0.00 0.00 0.00 19.45 18.70 1frk n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1frk h LEU 44 N 0.00 0.00 -0.21 0.00 4.07 -1.91 -3.17 115.31 114.09 1frk h LEU 44 Ca -0.10 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.76 1frk h LEU 44 Cb 0.99 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 1frk h LEU 44 CO 0.14 0.23 -0.48 0.00 -1.08 0.00 0.00 178.44 177.26 1frk h GLU 46 N 0.00 0.00 0.00 0.00 4.11 -1.89 -1.44 114.58 115.37 1frk h GLU 46 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1frk h GLU 46 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1frk h GLU 46 CO 0.06 0.34 -0.13 -1.35 0.07 0.00 0.00 179.01 178.00 1frk h PRO 47 N 0.00 0.00 0.00 1.06 0.11 -1.78 -3.27 132.00 128.12 1frk h PRO 47 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1frk h PRO 47 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1frk h PRO 47 CO 0.04 0.13 -0.31 0.93 -0.21 0.00 0.00 178.00 178.58 1frk h GLU 48 N 0.00 0.00 -6.29 1.05 4.39 -1.42 -3.45 114.58 108.86 1frk h GLU 48 Ca -0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 1frk h GLU 48 Cb 0.50 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1frk h GLU 48 CO 0.02 0.00 1.08 0.00 -1.16 0.00 0.00 179.01 178.95 1frk h PRO 50 N 10.24 0.14 0.00 0.00 0.11 -1.93 -1.32 132.00 139.24 1frk h PRO 50 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1frk h PRO 50 Cb 1.14 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1frk h PRO 50 CO 1.01 0.29 0.00 0.00 -0.21 0.00 0.00 178.00 179.08 1frk n ALA 51 N -2.50 2.63 -4.35 -0.75 0.00 -1.26 -4.89 120.51 109.39 1frk n ALA 51 Ca -0.01 -0.19 -0.36 0.00 0.00 0.00 0.00 53.44 52.88 1frk n ALA 51 Cb 0.25 -1.49 -0.07 0.00 0.00 0.00 0.00 19.45 18.13 1frk n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1frk n GLN 52 N -1.01 -1.40 0.00 0.00 1.13 -0.50 -4.85 117.38 110.76 1frk n GLN 52 Ca 0.23 0.18 0.12 0.00 -1.94 0.00 0.00 57.00 55.58 1frk n GLN 52 Cb 0.11 -4.30 0.23 0.00 0.11 0.00 0.00 30.24 26.39 1frk n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1frk n ALA 53 N -4.35 3.55 -2.76 -1.58 0.00 -1.26 -4.91 120.51 109.20 1frk n ALA 53 Ca -0.11 -0.41 -0.37 0.00 0.00 0.00 0.00 53.44 52.55 1frk n ALA 53 Cb 0.58 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 1frk n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1frk s ILE 54 N -2.81 5.38 0.03 0.00 1.01 -1.26 -0.55 121.20 122.99 1frk s ILE 54 Ca 0.15 0.36 0.02 0.00 0.00 0.00 0.00 60.65 61.19 1frk s ILE 54 Cb 0.18 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 1frk s ILE 54 CO 0.66 0.55 -0.07 -0.36 0.00 0.00 0.00 174.94 175.72 1frk s PHE 55 N -0.56 0.57 0.35 3.97 0.40 -0.83 -4.88 117.98 117.00 1frk s PHE 55 Ca 0.15 -0.36 -0.29 0.00 -0.60 0.00 0.00 56.93 55.84 1frk s PHE 55 Cb -0.13 -0.35 -0.11 0.00 0.51 0.00 0.00 43.02 42.94 1frk s PHE 55 CO 0.04 -0.06 1.52 0.45 0.70 0.00 0.00 175.22 177.87 1frk n SER 56 N 1.99 3.80 -0.32 1.36 2.88 -1.26 0.19 113.62 122.25 1frk n SER 56 Ca -0.19 1.20 0.18 0.00 -1.33 0.00 0.00 58.87 58.73 1frk n SER 56 Cb 0.56 -1.61 0.38 0.00 -0.75 0.00 0.00 64.21 62.79 1frk n SER 56 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1frk h GLU 57 N 3.52 0.29 0.00 -1.46 4.81 -1.66 0.14 114.58 120.22 1frk h GLU 57 Ca -0.49 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1frk h GLU 57 Cb 1.24 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1frk h GLU 57 CO 0.69 0.19 0.00 -0.40 -0.73 0.00 0.00 179.01 178.76 1frk n ASP 58 N -5.12 0.00 0.00 1.04 5.68 -1.26 -2.73 116.55 114.16 1frk n ASP 58 Ca 0.27 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 1frk n ASP 58 Cb 0.83 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.81 1frk n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1frk n GLU 59 N -0.96 1.32 -1.75 0.11 1.02 0.47 -5.04 120.64 115.81 1frk n GLU 59 Ca 0.21 -1.00 -0.42 0.00 -0.02 0.00 0.00 57.16 55.92 1frk n GLU 59 Cb 0.09 -0.91 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 1frk n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1frk s VAL 60 N -0.53 2.17 0.63 2.62 1.01 -1.07 -4.88 120.40 120.35 1frk s VAL 60 Ca 0.00 0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 1frk s VAL 60 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1frk s VAL 60 CO 0.00 0.00 0.88 -2.65 0.00 0.00 0.00 175.10 173.34 1frk n PRO 61 N 4.24 0.72 -0.29 2.72 -0.02 -1.26 -4.81 135.00 136.31 1frk n PRO 61 Ca 0.16 0.29 0.08 0.00 -2.02 0.00 0.00 63.50 62.01 1frk n PRO 61 Cb 0.36 -2.10 0.23 0.00 -0.02 0.00 0.00 33.50 31.97 1frk n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1frk h GLU 62 N 0.23 0.51 0.00 -0.52 4.22 -2.02 -0.84 114.58 116.16 1frk h GLU 62 Ca -0.48 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.93 1frk h GLU 62 Cb 1.36 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1frk h GLU 62 CO 0.49 0.33 0.00 -0.40 -2.18 0.00 0.00 179.01 177.25 1frk n ASP 63 N -4.95 0.00 -0.07 1.04 5.75 -1.26 -3.07 116.55 113.99 1frk n ASP 63 Ca 0.17 -1.55 0.04 0.00 -0.01 0.00 0.00 54.79 53.44 1frk n ASP 63 Cb 0.47 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.62 1frk n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1frk n MET 64 N -0.71 1.84 0.15 0.11 2.81 -0.33 -4.80 117.12 116.19 1frk n MET 64 Ca 0.10 -1.81 0.19 0.00 -1.81 0.00 0.00 57.70 54.37 1frk n MET 64 Cb 0.05 -1.12 0.78 0.00 -0.71 0.00 0.00 33.22 32.22 1frk n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1frk h GLN 65 N 0.00 0.00 0.00 0.03 1.08 -1.46 -0.32 115.11 114.45 1frk h GLN 65 Ca 0.00 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 1frk h GLN 65 Cb 0.81 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 1frk h GLN 65 CO 0.00 0.00 -0.26 0.93 -0.95 0.00 0.00 178.83 178.55 1frk h GLU 66 N 0.00 0.00 0.00 1.46 3.07 -1.87 -2.74 114.58 114.49 1frk h GLU 66 Ca 0.14 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.97 1frk h GLU 66 Cb 0.81 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1frk h GLU 66 CO -0.00 0.26 -0.13 0.74 -1.40 0.00 0.00 179.01 178.47 1frk h PHE 67 N 0.00 0.00 0.56 4.33 0.04 -1.40 -2.06 116.94 118.41 1frk h PHE 67 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1frk h PHE 67 Cb 0.53 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.68 1frk h PHE 67 CO 0.00 0.13 -0.27 0.82 -0.60 0.00 0.00 178.31 178.39 1frk h ILE 68 N 0.00 0.43 -0.28 -0.55 2.04 -1.66 0.46 117.51 117.96 1frk h ILE 68 Ca -0.00 -0.08 -0.11 0.00 1.00 0.00 0.00 64.86 65.67 1frk h ILE 68 Cb 0.48 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1frk h ILE 68 CO 0.02 0.01 -0.28 -0.61 0.00 0.00 0.00 178.15 177.29 1frk h GLN 69 N -0.81 0.55 -0.74 2.37 4.15 -1.71 -2.97 115.11 115.94 1frk h GLN 69 Ca -0.08 -0.23 0.04 0.00 0.77 0.00 0.00 58.65 59.16 1frk h GLN 69 Cb 0.60 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.22 1frk h GLN 69 CO 0.13 0.78 0.46 -0.07 -1.93 0.00 0.00 178.83 178.19 1frk h LEU 70 N 0.48 0.73 -0.73 -2.39 3.38 -1.12 -1.31 115.31 114.35 1frk h LEU 70 Ca 0.06 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1frk h LEU 70 Cb 0.73 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1frk h LEU 70 CO 0.06 0.49 0.48 0.78 0.09 0.00 0.00 178.44 180.34 1frk h ASN 71 N 0.87 0.84 0.02 -0.43 -0.26 -0.79 -0.95 115.58 114.89 1frk h ASN 71 Ca 0.31 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 56.03 1frk h ASN 71 Cb 0.09 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.13 1frk h ASN 71 CO -0.14 0.61 -0.01 0.00 -1.06 0.00 0.00 177.43 176.84 1frk h ALA 72 N 1.27 -0.03 -0.27 -0.83 0.00 -1.29 -1.65 119.26 116.46 1frk h ALA 72 Ca 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1frk h ALA 72 Cb -0.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1frk h ALA 72 CO -0.06 -0.43 0.04 0.93 0.00 0.00 0.00 179.25 179.73 1frk h GLU 73 N -0.20 0.44 0.00 0.00 4.39 -1.18 -3.15 114.58 114.88 1frk h GLU 73 Ca -0.00 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1frk h GLU 73 Cb 0.18 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1frk h GLU 73 CO 0.00 0.56 0.00 -0.07 -1.16 0.00 0.00 179.01 178.35 1frk h LEU 74 N 0.26 0.00 -1.60 1.33 3.38 -1.14 -2.45 115.31 115.08 1frk h LEU 74 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1frk h LEU 74 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1frk h LEU 74 CO 0.01 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 178.40 1frk h ALA 75 N 2.02 1.12 0.00 1.53 0.00 -1.25 0.13 119.26 122.80 1frk h ALA 75 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1frk h ALA 75 Cb 0.69 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1frk h ALA 75 CO 0.00 0.17 -0.23 0.93 0.00 0.00 0.00 179.25 180.12 1frk h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.49 -3.35 114.58 114.13 1frk h GLU 76 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1frk h GLU 76 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1frk h GLU 76 CO 0.02 0.14 -0.86 1.33 -1.16 0.00 0.00 179.01 178.48 1frk n VAL 77 N -3.10 0.00 -3.35 3.13 0.24 -0.54 -5.03 118.33 109.68 1frk n VAL 77 Ca 0.03 -0.13 -0.31 0.00 -2.04 0.00 0.00 64.34 61.88 1frk n VAL 77 Cb 0.59 0.58 -0.05 0.00 -1.47 0.00 0.00 33.84 33.49 1frk n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1frk s TRP 78 N -1.90 3.43 0.35 6.34 0.51 0.34 -5.07 118.94 122.93 1frk s TRP 78 Ca -0.00 0.88 -0.27 0.00 -2.12 0.00 0.00 56.10 54.59 1frk s TRP 78 Cb 0.01 -2.27 -0.09 0.00 -0.81 0.00 0.00 33.47 30.31 1frk s TRP 78 CO 0.07 0.22 1.16 -1.25 -0.51 0.00 0.00 176.95 176.65 1frk s PRO 79 N -2.98 4.31 0.28 4.98 0.04 -1.25 -4.60 135.00 135.78 1frk s PRO 79 Ca 0.48 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 63.09 1frk s PRO 79 Cb -0.11 -2.91 -0.12 0.00 0.04 0.00 0.00 34.50 31.41 1frk s PRO 79 CO 0.22 -0.11 1.63 -1.71 0.04 0.00 0.00 177.00 177.07 1frk n ASN 80 N 0.56 3.95 -4.36 6.66 4.05 -1.26 0.21 115.26 125.06 1frk n ASN 80 Ca 0.02 1.13 -0.33 0.00 0.45 0.00 0.00 54.58 55.85 1frk n ASN 80 Cb 0.45 -1.60 -0.15 0.00 1.23 0.00 0.00 39.78 39.72 1frk n ASN 80 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1frk s ILE 81 N 0.20 2.97 0.00 -1.44 2.07 -0.36 -4.75 121.20 119.89 1frk s ILE 81 Ca 0.66 -0.69 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 1frk s ILE 81 Cb -0.49 -2.24 0.00 0.00 0.13 0.00 0.00 42.46 39.86 1frk s ILE 81 CO 0.46 0.53 0.06 0.35 -1.91 0.00 0.00 174.94 174.42 1frk n THR 82 N 3.50 0.00 -5.14 4.00 -2.24 -1.26 -4.50 114.28 108.64 1frk n THR 82 Ca -0.18 -0.46 -0.32 0.00 -2.27 0.00 0.00 64.05 60.82 1frk n THR 82 Cb 0.53 1.01 -0.17 0.00 -2.10 0.00 0.00 70.33 69.60 1frk n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1frk s GLU 83 N -0.80 3.10 0.55 -0.78 2.02 -1.26 -4.79 118.70 116.73 1frk s GLU 83 Ca 0.00 -0.85 -0.19 0.00 0.02 0.00 0.00 54.97 53.95 1frk s GLU 83 Cb 0.00 -2.35 -0.08 0.00 0.10 0.00 0.00 34.13 31.79 1frk s GLU 83 CO 0.00 0.18 0.64 1.17 0.02 0.00 0.00 175.26 177.26 1frk n LYS 84 N 3.54 0.64 -2.48 1.61 4.81 -1.26 -5.03 118.16 119.99 1frk n LYS 84 Ca -0.19 0.25 -0.04 0.00 -0.87 0.00 0.00 58.31 57.45 1frk n LYS 84 Cb 0.53 -1.78 -0.02 0.00 0.02 0.00 0.00 35.03 33.78 1frk n LYS 84 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1frk n LYS 85 N -0.14 0.10 -2.49 1.64 2.85 -1.26 -5.11 118.16 113.75 1frk n LYS 85 Ca 0.12 -0.71 -0.35 0.00 -1.05 0.00 0.00 58.31 56.32 1frk n LYS 85 Cb 0.46 0.58 -0.03 0.00 -0.65 0.00 0.00 35.03 35.40 1frk n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1frk s ASP 86 N -1.50 6.30 0.68 -5.58 1.01 -1.26 -4.74 116.67 111.57 1frk s ASP 86 Ca 0.08 2.00 -0.16 0.00 0.71 0.00 0.00 52.55 55.19 1frk s ASP 86 Cb 0.00 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.37 1frk s ASP 86 CO 0.06 -0.81 1.21 -2.84 0.21 0.00 0.00 175.17 172.99 1frk s PRO 87 N -3.10 2.48 0.55 8.23 0.02 -1.26 -4.90 135.00 137.01 1frk s PRO 87 Ca 0.67 1.78 -0.20 0.00 0.02 0.00 0.00 61.00 63.26 1frk s PRO 87 Cb -0.19 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.39 1frk s PRO 87 CO 0.23 -1.58 0.97 1.28 -0.33 0.00 0.00 177.00 177.57 1frk n LEU 88 N -2.28 3.30 -0.32 -5.54 4.77 -1.04 -4.86 117.00 111.03 1frk n LEU 88 Ca 0.13 0.87 0.02 0.00 -0.03 0.00 0.00 56.01 57.01 1frk n LEU 88 Cb 0.50 -1.38 0.16 0.00 -2.33 0.00 0.00 43.42 40.37 1frk n LEU 88 CO 0.47 -1.76 1.19 -0.65 -1.33 0.00 0.00 177.39 175.31 1frk h PRO 89 N 0.82 0.93 -0.75 3.23 0.11 -1.91 0.30 132.00 134.74 1frk h PRO 89 Ca -0.47 -0.06 -0.31 0.00 0.11 0.00 0.00 66.00 65.27 1frk h PRO 89 Cb 1.35 -0.21 -0.18 0.00 0.11 0.00 0.00 31.00 32.07 1frk h PRO 89 CO 0.53 0.62 0.34 -0.25 -0.21 0.00 0.00 178.00 179.03 1frk n ASP 90 N -4.63 4.02 -0.08 -2.05 9.92 -1.26 -4.75 116.55 117.72 1frk n ASP 90 Ca 0.14 -3.44 0.11 0.00 -0.53 0.00 0.00 54.79 51.06 1frk n ASP 90 Cb 0.21 -0.75 0.48 0.00 -0.64 0.00 0.00 41.12 40.42 1frk n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1frk h ALA 91 N 1.75 1.96 -0.01 2.24 0.00 -1.09 -1.42 119.26 122.70 1frk h ALA 91 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1frk h ALA 91 Cb 2.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 20.07 1frk h ALA 91 CO 0.79 -0.09 -0.25 -0.85 0.00 0.00 0.00 179.25 178.86 1frk n GLU 92 N -4.47 0.73 0.05 0.00 -0.00 -1.26 -1.39 120.64 114.30 1frk n GLU 92 Ca 0.09 -0.40 -0.07 0.00 -0.00 0.00 0.00 57.16 56.78 1frk n GLU 92 Cb 0.33 -1.49 0.10 0.00 -0.00 0.00 0.00 31.44 30.38 1frk n GLU 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1frk h ASP 93 N 0.98 0.43 0.60 -1.84 3.32 -1.64 -3.23 116.42 115.05 1frk h ASP 93 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1frk h ASP 93 Cb 0.48 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1frk h ASP 93 CO 0.00 0.90 -0.86 0.79 -1.72 0.00 0.00 179.24 178.34 1frk n TRP 94 N -3.93 0.37 -1.83 4.55 7.02 -1.09 -4.77 117.44 117.76 1frk n TRP 94 Ca -0.03 0.11 -0.43 0.00 -1.02 0.00 0.00 57.50 56.13 1frk n TRP 94 Cb 0.59 -0.52 -0.03 0.00 -2.42 0.00 0.00 31.31 28.93 1frk n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1frk s ASP 95 N -4.03 5.81 0.00 -0.99 -1.08 -0.48 -1.91 116.67 113.99 1frk s ASP 95 Ca 0.05 1.69 0.00 0.00 -0.52 0.00 0.00 52.55 53.77 1frk s ASP 95 Cb 0.14 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 1frk s ASP 95 CO 0.77 -1.71 0.00 0.61 0.52 0.00 0.00 175.17 175.36 1frk n GLY 96 N 5.40 0.44 3.73 2.66 0.00 -1.26 -5.01 105.19 111.15 1frk n GLY 96 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1frk n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1frk s VAL 97 N -2.00 3.14 0.46 1.61 1.01 -0.80 -5.01 120.40 118.81 1frk s VAL 97 Ca 0.00 0.91 -0.02 0.00 0.00 0.00 0.00 61.98 62.86 1frk s VAL 97 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1frk s VAL 97 CO 0.00 0.12 0.71 -1.59 0.00 0.00 0.00 175.10 174.34 1frk s LYS 98 N 0.21 3.26 -0.29 2.72 -2.85 -1.26 -4.47 119.74 117.06 1frk s LYS 98 Ca 0.59 -0.20 0.00 0.00 -1.00 0.00 0.00 55.97 55.36 1frk s LYS 98 Cb -0.37 -2.49 0.00 0.00 -2.06 0.00 0.00 37.83 32.91 1frk s LYS 98 CO 0.37 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 176.00 1frk n GLY 99 N -2.14 0.32 0.00 0.59 0.00 -1.26 -4.95 105.19 97.75 1frk n GLY 99 Ca 0.00 -0.79 0.15 0.00 0.00 0.00 0.00 46.02 45.38 1frk n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1frk n LYS 100 N -1.63 0.54 0.25 1.61 5.02 -1.26 -3.78 118.16 118.92 1frk n LYS 100 Ca -0.04 0.01 0.08 0.00 -2.02 0.00 0.00 58.31 56.34 1frk n LYS 100 Cb 0.44 -1.50 0.63 0.00 -0.02 0.00 0.00 35.03 34.58 1frk n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1frk h LEU 101 N 0.00 0.00 -0.29 -0.35 5.85 -1.92 0.13 115.31 118.73 1frk h LEU 101 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1frk h LEU 101 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1frk h LEU 101 CO 0.00 0.10 0.00 0.00 -0.34 0.00 0.00 178.44 178.20 1frk n GLN 102 N -4.22 0.08 0.00 1.25 10.64 -1.25 -1.48 117.38 122.40 1frk n GLN 102 Ca -0.03 0.32 0.11 0.00 -1.83 0.00 0.00 57.00 55.58 1frk n GLN 102 Cb 0.18 -1.65 0.08 0.00 -0.86 0.00 0.00 30.24 27.99 1frk n GLN 102 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1frk n HIS 103 N -1.81 0.00 -1.81 2.61 8.25 0.44 -5.01 115.22 117.90 1frk n HIS 103 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 1frk n HIS 103 Cb 0.20 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.30 1frk n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1frk s LEU 104 N -1.95 4.33 -0.06 2.41 2.96 -0.55 -4.94 118.68 120.88 1frk s LEU 104 Ca 0.25 3.00 0.05 0.00 -0.22 0.00 0.00 54.13 57.21 1frk s LEU 104 Cb 0.19 -3.66 -0.02 0.00 0.50 0.00 0.00 46.19 43.20 1frk s LEU 104 CO 0.32 -0.87 -0.20 -1.61 -1.32 0.00 0.00 176.35 172.67 1frk s GLU 105 N -1.60 2.57 0.00 1.98 2.02 -1.26 -5.10 118.70 117.31 1frk s GLU 105 Ca 0.56 -0.81 0.31 0.00 0.02 0.00 0.00 54.97 55.05 1frk s GLU 105 Cb -0.47 -2.28 1.69 0.00 0.10 0.00 0.00 34.13 33.18 1frk s GLU 105 CO 0.58 0.47 2.11 -2.13 0.02 0.00 0.00 175.26 176.31