#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2frk s LEU 2 N 0.00 4.16 0.82 0.99 1.02 -1.26 -5.12 118.68 119.30 2frk s LEU 2 Ca 0.00 0.23 -0.11 0.00 0.02 0.00 0.00 54.13 54.26 2frk s LEU 2 Cb 0.00 -2.57 0.08 0.00 0.02 0.00 0.00 46.19 43.72 2frk s LEU 2 CO 0.00 0.23 1.10 -0.94 0.02 0.00 0.00 176.35 176.76 2frk s SER 3 N -2.06 4.24 0.23 2.29 1.04 -1.26 -4.83 113.70 113.35 2frk s SER 3 Ca 0.28 1.35 -0.06 0.00 0.48 0.00 0.00 55.95 57.99 2frk s SER 3 Cb -0.12 -2.07 0.35 0.00 0.10 0.00 0.00 66.02 64.28 2frk s SER 3 CO 0.20 -2.13 1.79 0.44 0.98 0.00 0.00 173.24 174.52 2frk h ASP 4 N -1.20 0.55 -0.70 7.02 5.19 -1.99 -0.67 116.42 124.62 2frk h ASP 4 Ca -0.48 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.00 2frk h ASP 4 Cb 1.27 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 40.70 2frk h ASP 4 CO 0.58 0.32 0.46 1.23 -3.12 0.00 0.00 179.24 178.71 2frk h GLY 5 N 0.68 0.99 0.91 2.75 0.00 -1.99 -0.48 103.07 105.93 2frk h GLY 5 Ca 0.36 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 2frk h GLY 5 CO -0.25 0.35 0.05 0.83 0.00 0.00 0.00 176.54 177.52 2frk h GLU 6 N 0.93 0.59 -0.78 4.80 5.08 -1.81 -1.95 114.58 121.45 2frk h GLU 6 Ca 0.26 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2frk h GLU 6 Cb -0.09 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 2frk h GLU 6 CO -0.06 0.67 0.50 -1.49 -1.00 0.00 0.00 179.01 177.63 2frk h TRP 7 N 0.43 1.00 -0.83 4.33 4.06 -0.84 -0.73 115.95 123.36 2frk h TRP 7 Ca 0.11 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.05 2frk h TRP 7 Cb 0.37 -0.34 -0.04 0.00 -1.00 0.00 0.00 29.16 28.16 2frk h TRP 7 CO 0.03 0.65 0.46 0.37 -3.56 0.00 0.00 178.44 176.38 2frk h GLN 8 N 1.07 1.16 -0.39 0.49 4.15 -0.76 -1.15 115.11 119.69 2frk h GLN 8 Ca 0.28 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 2frk h GLN 8 Cb -0.09 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.36 2frk h GLN 8 CO -0.06 0.86 0.10 1.96 -1.93 0.00 0.00 178.83 179.76 2frk h GLN 9 N 1.16 0.61 -0.39 1.69 1.08 -0.68 -1.07 115.11 117.51 2frk h GLN 9 Ca 0.29 -0.14 0.06 0.00 -1.45 0.00 0.00 58.65 57.41 2frk h GLN 9 Cb 0.03 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.33 2frk h GLN 9 CO -0.05 0.64 0.10 0.28 -0.95 0.00 0.00 178.83 178.85 2frk h VAL 10 N 0.48 0.82 0.00 -0.54 2.07 -0.73 -0.97 116.25 117.39 2frk h VAL 10 Ca 0.12 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 2frk h VAL 10 Cb 0.29 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2frk h VAL 10 CO -0.00 0.04 -0.30 -0.07 0.02 0.00 0.00 177.57 177.26 2frk h LEU 11 N 0.23 0.00 -0.14 2.57 3.38 -1.10 -0.31 115.31 119.95 2frk h LEU 11 Ca 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2frk h LEU 11 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2frk h LEU 11 CO -0.23 0.30 -0.02 -1.13 0.09 0.00 0.00 178.44 177.45 2frk h ASN 12 N 0.00 0.25 -0.88 -0.43 -0.73 -0.81 -2.39 115.58 110.60 2frk h ASN 12 Ca -0.00 -0.35 0.03 0.00 1.87 0.00 0.00 56.30 57.85 2frk h ASN 12 Cb 1.02 -0.07 -0.05 0.00 0.27 0.00 0.00 38.32 39.48 2frk h ASN 12 CO 0.04 0.55 0.57 0.58 -0.37 0.00 0.00 177.43 178.79 2frk h VAL 13 N -0.04 1.14 -0.28 2.57 2.07 -0.97 -2.49 116.25 118.26 2frk h VAL 13 Ca 0.04 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2frk h VAL 13 Cb 0.43 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2frk h VAL 13 CO 0.01 0.20 0.15 -0.25 0.02 0.00 0.00 177.57 177.70 2frk h TRP 14 N 1.10 0.37 -0.64 1.57 2.91 -0.93 -0.55 115.95 119.79 2frk h TRP 14 Ca 0.35 0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.48 2frk h TRP 14 Cb 0.00 -0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 28.49 2frk h TRP 14 CO -0.02 0.27 0.43 0.78 -1.03 0.00 0.00 178.44 178.87 2frk h GLY 15 N 0.47 0.61 1.07 2.65 0.00 -0.95 -0.35 103.07 106.57 2frk h GLY 15 Ca 0.10 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 2frk h GLY 15 CO -0.02 0.10 -0.24 0.50 0.00 0.00 0.00 176.54 176.88 2frk h LYS 16 N 0.42 0.91 -0.58 4.80 1.57 -1.13 -2.95 116.57 119.61 2frk h LYS 16 Ca 0.30 -0.41 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 2frk h LYS 16 Cb 0.60 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2frk h LYS 16 CO -0.09 1.07 0.20 0.28 -0.57 0.00 0.00 179.45 180.34 2frk h VAL 17 N 0.74 1.23 0.00 0.50 2.07 -1.16 -3.04 116.25 116.60 2frk h VAL 17 Ca 0.09 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2frk h VAL 17 Cb 0.81 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2frk h VAL 17 CO 0.07 0.29 0.00 -0.33 0.02 0.00 0.00 177.57 177.62 2frk h GLU 18 N 0.80 0.00 0.00 1.57 5.08 -0.94 -1.45 114.58 119.64 2frk h GLU 18 Ca 0.19 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 2frk h GLU 18 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2frk h GLU 18 CO -0.01 0.00 -0.20 0.00 -1.00 0.00 0.00 179.01 177.80 2frk h ALA 19 N 2.03 1.04 -0.96 3.43 0.00 -1.40 -3.36 119.26 120.03 2frk h ALA 19 Ca 0.00 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.41 2frk h ALA 19 Cb 0.22 -0.03 -0.22 0.00 0.00 0.00 0.00 17.79 17.75 2frk h ALA 19 CO 0.00 0.25 -0.67 -3.47 0.00 0.00 0.00 179.25 175.36 2frk n ASP 20 N -3.39 -2.17 -0.15 0.00 2.03 -0.59 -5.03 116.55 107.26 2frk n ASP 20 Ca 0.00 -2.96 -0.11 0.00 0.52 0.00 0.00 54.79 52.23 2frk n ASP 20 Cb 0.41 1.03 -0.01 0.00 -0.72 0.00 0.00 41.12 41.83 2frk n ASP 20 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2frk h ILE 21 N 3.58 1.27 -0.66 5.18 2.10 -1.60 -1.54 117.51 125.83 2frk h ILE 21 Ca 0.00 -1.34 -0.05 0.00 1.08 0.00 0.00 64.86 64.55 2frk h ILE 21 Cb 1.01 1.17 -0.03 0.00 -1.09 0.00 0.00 36.82 37.88 2frk h ILE 21 CO 0.27 0.46 0.21 0.00 -1.08 0.00 0.00 178.15 178.01 2frk h ALA 22 N 0.85 0.87 -0.21 0.18 0.00 -1.88 0.71 119.26 119.79 2frk h ALA 22 Ca 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2frk h ALA 22 Cb 0.76 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2frk h ALA 22 CO 0.06 0.55 0.07 0.78 0.00 0.00 0.00 179.25 180.70 2frk h GLY 23 N 0.97 0.35 1.01 0.00 0.00 -1.88 0.64 103.07 104.16 2frk h GLY 23 Ca 0.21 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 2frk h GLY 23 CO -0.01 0.19 0.21 0.45 0.00 0.00 0.00 176.54 177.39 2frk h HIS 24 N 0.17 1.00 -0.38 5.60 -0.00 -1.20 -2.32 115.15 118.01 2frk h HIS 24 Ca 0.07 -0.09 -0.05 0.00 -0.00 0.00 0.00 60.37 60.29 2frk h HIS 24 Cb 0.23 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.33 2frk h HIS 24 CO 0.00 0.81 0.03 0.78 -0.00 0.00 0.00 177.93 179.55 2frk h GLY 25 N 0.90 0.71 0.65 2.45 0.00 -0.61 -0.20 103.07 106.97 2frk h GLY 25 Ca 0.21 -0.50 0.04 0.00 0.00 0.00 0.00 47.33 47.08 2frk h GLY 25 CO -0.01 0.46 0.01 -1.61 0.00 0.00 0.00 176.54 175.39 2frk h GLN 26 N 0.49 0.08 -0.38 4.80 4.15 -0.87 -2.01 115.11 121.37 2frk h GLN 26 Ca 0.11 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.45 2frk h GLN 26 Cb 0.42 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 2frk h GLN 26 CO 0.01 0.05 -0.09 0.93 -1.93 0.00 0.00 178.83 177.80 2frk h GLU 27 N 0.08 0.66 -0.20 1.69 5.08 -1.03 -0.49 114.58 120.37 2frk h GLU 27 Ca 0.11 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2frk h GLU 27 Cb 0.14 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2frk h GLU 27 CO -0.18 0.75 0.10 0.28 -1.00 0.00 0.00 179.01 178.96 2frk h VAL 28 N 0.61 1.13 -0.50 3.13 2.07 -0.84 -0.92 116.25 120.92 2frk h VAL 28 Ca 0.11 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 2frk h VAL 28 Cb 0.52 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2frk h VAL 28 CO 0.03 0.12 -0.11 -0.07 0.02 0.00 0.00 177.57 177.56 2frk h LEU 29 N 0.21 0.94 -0.51 2.57 3.38 -1.05 -0.92 115.31 119.92 2frk h LEU 29 Ca 0.07 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2frk h LEU 29 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2frk h LEU 29 CO -0.01 1.05 0.15 0.40 0.09 0.00 0.00 178.44 180.13 2frk h ILE 30 N 0.84 1.23 -0.55 1.22 2.04 -0.97 0.83 117.51 122.14 2frk h ILE 30 Ca 0.13 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.24 2frk h ILE 30 Cb 0.65 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2frk h ILE 30 CO 0.04 0.29 0.31 -0.09 0.00 0.00 0.00 178.15 178.71 2frk h ARG 31 N 0.70 0.59 0.09 2.37 9.65 -0.98 -0.45 114.38 126.35 2frk h ARG 31 Ca 0.16 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.01 2frk h ARG 31 Cb 0.29 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 2frk h ARG 31 CO -0.00 0.39 -0.04 1.25 2.80 0.00 0.00 179.97 184.36 2frk h LEU 32 N 0.61 -0.10 -0.86 3.80 5.85 -0.74 -1.59 115.31 122.28 2frk h LEU 32 Ca 0.23 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 2frk h LEU 32 Cb 0.09 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2frk h LEU 32 CO -0.13 0.01 -0.32 -0.26 -0.34 0.00 0.00 178.44 177.40 2frk h PHE 33 N -0.20 0.53 0.16 1.25 0.04 -0.63 0.01 116.94 118.09 2frk h PHE 33 Ca -0.01 -0.13 -0.29 0.00 2.80 0.00 0.00 57.97 60.34 2frk h PHE 33 Cb 0.17 -0.12 0.01 0.00 2.20 0.00 0.00 35.95 38.21 2frk h PHE 33 CO -0.04 0.73 -1.29 1.79 -0.60 0.00 0.00 178.31 178.90 2frk h THR 34 N 0.40 1.43 0.00 -1.55 1.35 -1.08 -2.87 112.91 110.59 2frk h THR 34 Ca 0.05 -2.93 -0.17 0.00 -0.55 0.00 0.00 66.41 62.80 2frk h THR 34 Cb 0.76 2.95 -0.02 0.00 -1.73 0.00 0.00 68.15 70.10 2frk h THR 34 CO 0.06 0.86 -0.82 1.23 -0.25 0.00 0.00 175.52 176.60 2frk h GLY 35 N 1.17 0.03 -6.32 5.82 0.00 -1.22 -3.40 103.07 99.14 2frk h GLY 35 Ca -0.17 -0.05 -0.59 0.00 0.00 0.00 0.00 47.33 46.53 2frk h GLY 35 CO 0.22 0.05 -0.97 1.42 0.00 0.00 0.00 176.54 177.26 2frk n HIS 36 N -3.59 -0.42 0.17 5.60 8.25 -0.02 -4.99 115.22 120.22 2frk n HIS 36 Ca -0.01 -3.45 0.18 0.00 -0.26 0.00 0.00 57.72 54.18 2frk n HIS 36 Cb 0.78 0.05 0.80 0.00 1.12 0.00 0.00 29.99 32.74 2frk n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2frk h PRO 37 N 5.20 0.00 -0.13 -0.41 0.11 -1.72 0.20 132.00 135.25 2frk h PRO 37 Ca 0.21 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.36 2frk h PRO 37 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 2frk h PRO 37 CO 0.43 0.00 0.11 1.05 -0.21 0.00 0.00 178.00 179.38 2frk h GLU 38 N 0.00 0.00 -0.23 1.05 9.09 -1.93 -2.23 114.58 120.33 2frk h GLU 38 Ca 0.12 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.43 2frk h GLU 38 Cb 0.68 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.77 2frk h GLU 38 CO -0.00 0.00 -0.26 1.79 0.05 0.00 0.00 179.01 180.59 2frk h THR 39 N 0.00 1.27 -0.31 -1.06 1.35 -1.28 -2.59 112.91 110.29 2frk h THR 39 Ca 0.06 -1.27 0.01 0.00 -0.55 0.00 0.00 66.41 64.66 2frk h THR 39 Cb 0.29 1.37 -0.02 0.00 -1.73 0.00 0.00 68.15 68.07 2frk h THR 39 CO -0.00 0.40 0.21 0.25 -0.25 0.00 0.00 175.52 176.13 2frk h LEU 40 N 0.40 0.33 -1.07 3.87 5.85 -1.55 -2.01 115.31 121.12 2frk h LEU 40 Ca 0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2frk h LEU 40 Cb 0.67 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2frk h LEU 40 CO 0.05 0.23 0.00 -0.33 -0.34 0.00 0.00 178.44 178.05 2frk h GLU 41 N 0.38 0.00 0.00 1.25 4.39 -1.53 -0.48 114.58 118.59 2frk h GLU 41 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2frk h GLU 41 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2frk h GLU 41 CO -0.03 0.00 0.00 0.87 -1.16 0.00 0.00 179.01 178.69 2frk h LYS 42 N 0.00 0.00 -4.25 2.33 1.79 -1.47 -3.40 116.57 111.57 2frk h LYS 42 Ca 0.00 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 57.76 2frk h LYS 42 Cb 0.31 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 30.64 2frk h LYS 42 CO 0.00 0.00 -0.43 -0.06 -1.08 0.00 0.00 179.45 177.88 2frk s PHE 43 N -3.18 3.50 0.29 -1.35 0.40 -0.19 -4.94 117.98 112.51 2frk s PHE 43 Ca 0.08 -2.22 0.04 0.00 -0.60 0.00 0.00 56.93 54.24 2frk s PHE 43 Cb 0.11 -3.36 0.69 0.00 0.51 0.00 0.00 43.02 40.97 2frk s PHE 43 CO 0.55 -0.96 1.75 -0.44 0.70 0.00 0.00 175.22 176.82 2frk h ASP 44 N 8.06 0.63 0.39 1.36 3.32 -1.80 -1.25 116.42 127.14 2frk h ASP 44 Ca -0.14 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2frk h ASP 44 Cb 1.04 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2frk h ASP 44 CO 0.77 0.20 0.00 2.29 -1.72 0.00 0.00 179.24 180.78 2frk n LYS 45 N -4.85 0.47 0.00 3.56 2.85 -1.26 -3.04 118.16 115.88 2frk n LYS 45 Ca 0.22 0.03 0.02 0.00 -1.05 0.00 0.00 58.31 57.53 2frk n LYS 45 Cb 0.56 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.44 2frk n LYS 45 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2frk n PHE 46 N -1.23 0.00 -0.31 5.58 3.72 -0.53 -4.71 117.46 119.98 2frk n PHE 46 Ca 0.14 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.74 2frk n PHE 46 Cb 0.18 0.00 0.47 0.00 -0.94 0.00 0.00 39.48 39.19 2frk n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2frk h LYS 47 N 0.37 0.46 0.00 -1.08 1.57 -1.31 -0.61 116.57 115.98 2frk h LYS 47 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2frk h LYS 47 Cb 0.12 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2frk h LYS 47 CO 0.00 0.31 0.00 1.12 -0.57 0.00 0.00 179.45 180.31 2frk h HIS 48 N 0.48 0.00 -0.74 -1.35 2.07 -1.84 -3.39 115.15 110.37 2frk h HIS 48 Ca 0.56 0.00 -0.48 0.00 -2.85 0.00 0.00 60.37 57.60 2frk h HIS 48 Cb 1.30 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 31.21 2frk h HIS 48 CO -0.00 0.00 1.44 -0.51 -3.07 0.00 0.00 177.93 175.78 2frk s LEU 49 N -5.06 3.39 0.13 6.12 1.43 -0.24 -4.74 118.68 119.72 2frk s LEU 49 Ca 0.02 -1.70 0.26 0.00 -1.03 0.00 0.00 54.13 51.67 2frk s LEU 49 Cb 0.09 -2.58 0.68 0.00 0.03 0.00 0.00 46.19 44.41 2frk s LEU 49 CO 0.40 -2.17 1.61 0.29 0.23 0.00 0.00 176.35 176.71 2frk n LYS 50 N 8.52 0.22 -4.21 1.70 4.76 -1.26 -4.85 118.16 123.04 2frk n LYS 50 Ca 0.43 0.13 -0.14 0.00 -2.87 0.00 0.00 58.31 55.86 2frk n LYS 50 Cb 0.47 -1.70 -0.10 0.00 -1.84 0.00 0.00 35.03 31.86 2frk n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2frk s THR 51 N -3.10 1.04 0.36 -0.18 -4.23 -1.26 -5.05 115.64 103.22 2frk s THR 51 Ca 0.10 -1.89 0.06 0.00 -1.18 0.00 0.00 61.69 58.78 2frk s THR 51 Cb 0.14 -1.65 0.17 0.00 1.34 0.00 0.00 72.50 72.51 2frk s THR 51 CO 0.64 -0.69 1.91 -0.08 -0.54 0.00 0.00 174.62 175.87 2frk h GLU 52 N 3.10 0.44 -0.53 3.99 4.81 -1.99 -1.37 114.58 123.04 2frk h GLU 52 Ca -0.37 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2frk h GLU 52 Cb 1.19 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 2frk h GLU 52 CO 0.59 0.47 0.33 0.00 -0.73 0.00 0.00 179.01 179.68 2frk h ALA 53 N 1.58 0.68 -0.79 2.92 0.00 -1.98 0.30 119.26 121.96 2frk h ALA 53 Ca 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2frk h ALA 53 Cb 0.28 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2frk h ALA 53 CO 0.01 0.14 0.38 0.93 0.00 0.00 0.00 179.25 180.71 2frk h GLU 54 N 0.72 1.14 -0.22 0.00 5.08 -1.86 -0.05 114.58 119.38 2frk h GLU 54 Ca 0.19 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2frk h GLU 54 Cb -0.04 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2frk h GLU 54 CO -0.04 0.88 0.14 0.52 -1.00 0.00 0.00 179.01 179.52 2frk h MET 55 N 1.12 0.28 -0.58 2.33 2.86 -0.75 -2.23 114.93 117.96 2frk h MET 55 Ca 0.27 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 2frk h MET 55 Cb 0.12 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 2frk h MET 55 CO -0.03 0.19 0.34 -0.22 1.06 0.00 0.00 176.91 178.24 2frk h LYS 56 N 0.29 0.79 -0.00 1.72 1.63 -0.07 -2.42 116.57 118.51 2frk h LYS 56 Ca 0.08 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2frk h LYS 56 Cb -0.03 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.44 2frk h LYS 56 CO -0.02 0.57 -0.11 0.00 -3.45 0.00 0.00 179.45 176.44 2frk n ALA 57 N -2.45 2.66 -2.60 5.00 0.00 -0.06 -4.81 120.51 118.25 2frk n ALA 57 Ca 0.05 -0.19 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 2frk n ALA 57 Cb 0.08 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 2frk n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2frk s SER 58 N -2.80 6.62 0.32 0.00 0.15 -0.86 -4.88 113.70 112.25 2frk s SER 58 Ca 0.19 0.43 0.12 0.00 0.70 0.00 0.00 55.95 57.39 2frk s SER 58 Cb 0.19 -2.53 0.54 0.00 -1.71 0.00 0.00 66.02 62.51 2frk s SER 58 CO 0.53 -1.19 1.72 -0.33 1.20 0.00 0.00 173.24 175.17 2frk h GLU 59 N 9.13 0.00 -0.21 5.44 4.39 -1.87 -2.79 114.58 128.67 2frk h GLU 59 Ca -0.23 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.34 2frk h GLU 59 Cb 1.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 2frk h GLU 59 CO 1.10 0.49 -0.42 0.22 -1.16 0.00 0.00 179.01 179.24 2frk h ASP 60 N 0.00 0.54 -0.74 1.42 3.58 -1.96 -0.35 116.42 118.91 2frk h ASP 60 Ca -0.00 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.21 2frk h ASP 60 Cb 0.87 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.74 2frk h ASP 60 CO 0.06 0.90 0.48 0.25 -2.88 0.00 0.00 179.24 178.05 2frk h LEU 61 N 0.41 0.86 -0.61 2.28 6.46 -1.85 -0.68 115.31 122.19 2frk h LEU 61 Ca 0.03 -0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 2frk h LEU 61 Cb 0.91 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.60 2frk h LEU 61 CO 0.08 0.64 0.21 0.50 -0.62 0.00 0.00 178.44 179.24 2frk h LYS 62 N 1.00 0.93 -0.52 1.25 3.64 -1.22 -0.75 116.57 120.89 2frk h LYS 62 Ca 0.27 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2frk h LYS 62 Cb -0.09 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.55 2frk h LYS 62 CO -0.06 0.81 0.33 -0.22 -2.27 0.00 0.00 179.45 178.05 2frk h LYS 63 N 0.86 0.65 -0.32 1.90 3.64 -0.72 -0.88 116.57 121.69 2frk h LYS 63 Ca 0.20 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 2frk h LYS 63 Cb 0.26 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2frk h LYS 63 CO -0.01 0.43 -0.13 1.25 -2.27 0.00 0.00 179.45 178.72 2frk h HIS 64 N 0.67 0.61 -0.96 1.91 2.76 -0.85 -1.46 115.15 117.83 2frk h HIS 64 Ca 0.20 -0.10 0.02 0.00 -2.20 0.00 0.00 60.37 58.29 2frk h HIS 64 Cb -0.04 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 28.71 2frk h HIS 64 CO -0.05 0.67 0.63 0.78 -1.30 0.00 0.00 177.93 178.66 2frk h GLY 65 N 0.95 1.36 0.93 5.26 0.00 -0.60 -0.04 103.07 110.94 2frk h GLY 65 Ca 0.09 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 2frk h GLY 65 CO 0.03 0.47 0.15 -0.84 0.00 0.00 0.00 176.54 176.35 2frk h THR 66 N 1.28 1.18 -0.31 4.70 2.02 -0.62 -1.01 112.91 120.15 2frk h THR 66 Ca 0.36 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.99 2frk h THR 66 Cb -0.11 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 2frk h THR 66 CO -0.09 0.20 0.20 0.58 0.37 0.00 0.00 175.52 176.78 2frk h VAL 67 N 0.43 1.07 0.09 3.16 2.07 -0.73 -0.24 116.25 122.10 2frk h VAL 67 Ca 0.12 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2frk h VAL 67 Cb 0.17 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2frk h VAL 67 CO -0.01 0.07 -0.04 0.58 0.02 0.00 0.00 177.57 178.19 2frk h VAL 68 N 0.41 0.98 -0.00 2.57 2.07 -0.90 -1.93 116.25 119.45 2frk h VAL 68 Ca 0.11 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.23 2frk h VAL 68 Cb -0.04 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2frk h VAL 68 CO -0.03 0.07 -0.66 -0.07 0.02 0.00 0.00 177.57 176.89 2frk h LEU 69 N -0.25 0.00 -0.63 2.57 3.38 -1.14 -1.28 115.31 117.97 2frk h LEU 69 Ca -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2frk h LEU 69 Cb 0.20 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2frk h LEU 69 CO 0.02 0.66 0.37 0.74 0.09 0.00 0.00 178.44 180.32 2frk h THR 70 N 0.00 1.19 -0.24 0.22 2.02 -0.97 0.14 112.91 115.26 2frk h THR 70 Ca -0.01 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.70 2frk h THR 70 Cb 1.17 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 2frk h THR 70 CO 0.09 0.20 -0.01 0.00 0.37 0.00 0.00 175.52 176.16 2frk h ALA 71 N 1.19 0.33 -0.75 6.16 0.00 -1.00 -1.97 119.26 123.22 2frk h ALA 71 Ca 0.22 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2frk h ALA 71 Cb -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2frk h ALA 71 CO -0.04 0.07 0.46 1.25 0.00 0.00 0.00 179.25 180.99 2frk h LEU 72 N 0.21 0.89 -0.87 0.00 5.85 -1.04 -2.08 115.31 118.26 2frk h LEU 72 Ca 0.07 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.75 2frk h LEU 72 Cb 0.43 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2frk h LEU 72 CO 0.01 0.69 0.57 1.23 -0.34 0.00 0.00 178.44 180.60 2frk h GLY 73 N 1.02 1.25 1.01 3.75 0.00 -0.55 0.67 103.07 110.22 2frk h GLY 73 Ca 0.27 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.17 2frk h GLY 73 CO -0.05 0.40 0.51 -1.33 0.00 0.00 0.00 176.54 176.07 2frk h GLY 74 N 1.13 1.08 0.84 4.60 0.00 -0.92 -1.41 103.07 108.40 2frk h GLY 74 Ca 0.33 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 2frk h GLY 74 CO -0.09 0.40 -0.06 -2.22 0.00 0.00 0.00 176.54 174.56 2frk h ILE 75 N 1.04 1.28 -0.85 2.60 2.04 -0.72 -3.14 117.51 119.78 2frk h ILE 75 Ca 0.28 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 2frk h ILE 75 Cb -0.12 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 2frk h ILE 75 CO -0.06 0.33 0.49 -0.07 0.00 0.00 0.00 178.15 178.84 2frk h LEU 76 N 0.21 1.03 -1.20 1.44 3.38 -0.64 -1.88 115.31 117.64 2frk h LEU 76 Ca 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2frk h LEU 76 Cb 0.52 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2frk h LEU 76 CO 0.02 0.81 0.00 0.11 0.09 0.00 0.00 178.44 179.47 2frk h LYS 77 N 1.17 0.00 -0.00 1.13 1.57 -1.21 -0.88 116.57 118.34 2frk h LYS 77 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2frk h LYS 77 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2frk h LYS 77 CO -0.05 0.00 -0.12 1.63 -0.57 0.00 0.00 179.45 180.34 2frk n LYS 78 N -2.36 0.70 -3.92 3.15 4.76 -0.71 -4.96 118.16 114.83 2frk n LYS 78 Ca 0.00 -0.25 -0.26 0.00 -2.87 0.00 0.00 58.31 54.93 2frk n LYS 78 Cb 0.14 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.82 2frk n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2frk n LYS 79 N -0.93 -3.15 0.00 1.97 5.02 -0.34 -1.45 118.16 119.28 2frk n LYS 79 Ca 0.14 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 2frk n LYS 79 Cb 0.28 -4.49 0.00 0.00 -0.02 0.00 0.00 35.03 30.80 2frk n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2frk n GLY 80 N -1.95 2.96 2.40 0.72 0.00 -1.26 -4.87 105.19 103.19 2frk n GLY 80 Ca -0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 2frk n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2frk n HIS 81 N -1.35 2.56 -0.76 1.61 8.25 -0.53 -4.60 115.22 120.41 2frk n HIS 81 Ca 0.00 -3.01 0.07 0.00 -0.26 0.00 0.00 57.72 54.52 2frk n HIS 81 Cb 0.00 -2.32 0.12 0.00 1.12 0.00 0.00 29.99 28.91 2frk n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2frk n HIS 82 N 3.31 0.12 -0.13 4.41 1.44 -1.26 -4.81 115.22 118.31 2frk n HIS 82 Ca 0.72 -0.84 -0.05 0.00 -2.01 0.00 0.00 57.72 55.54 2frk n HIS 82 Cb 0.25 -0.14 0.03 0.00 0.12 0.00 0.00 29.99 30.26 2frk n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 2frk h GLU 83 N 0.28 0.31 -0.57 -1.40 4.22 -1.98 0.13 114.58 115.57 2frk h GLU 83 Ca 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.41 2frk h GLU 83 Cb 0.91 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2frk h GLU 83 CO 0.02 0.21 0.32 0.00 -2.18 0.00 0.00 179.01 177.38 2frk h ALA 84 N 1.27 1.49 0.15 2.92 0.00 -2.00 0.00 119.26 123.09 2frk h ALA 84 Ca 0.19 -0.08 -0.29 0.00 0.00 0.00 0.00 54.91 54.73 2frk h ALA 84 Cb 0.17 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2frk h ALA 84 CO -0.19 0.43 -1.31 0.93 0.00 0.00 0.00 179.25 179.10 2frk h GLU 85 N 0.79 0.31 0.14 0.00 3.07 -1.77 -3.39 114.58 113.74 2frk h GLU 85 Ca 0.21 -0.54 -0.30 0.00 -0.50 0.00 0.00 59.36 58.23 2frk h GLU 85 Cb 0.01 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2frk h GLU 85 CO -0.04 1.25 -1.50 1.25 -1.40 0.00 0.00 179.01 178.57 2frk h LEU 86 N 0.09 0.47 -0.33 1.33 6.46 -0.45 -3.36 115.31 119.52 2frk h LEU 86 Ca -0.17 -0.89 0.07 0.00 -0.12 0.00 0.00 57.88 56.78 2frk h LEU 86 Cb 2.01 -0.15 -0.08 0.00 -0.73 0.00 0.00 40.66 41.71 2frk h LEU 86 CO 0.21 1.67 -0.22 0.50 -0.62 0.00 0.00 178.44 179.98 2frk h LYS 87 N -0.16 -0.17 -0.65 1.25 3.64 -1.20 0.22 116.57 119.51 2frk h LYS 87 Ca -0.31 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2frk h LYS 87 Cb 1.88 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.70 2frk h LYS 87 CO 0.11 -0.11 0.42 -1.00 -2.27 0.00 0.00 179.45 176.59 2frk h PRO 88 N -0.18 0.86 -0.45 1.90 0.13 -1.77 -0.11 132.00 132.38 2frk h PRO 88 Ca 0.17 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 2frk h PRO 88 Cb 0.44 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.36 2frk h PRO 88 CO -0.44 0.58 -0.02 -0.07 -0.23 0.00 0.00 178.00 177.82 2frk h LEU 89 N 0.88 0.80 -0.53 1.56 3.38 -1.51 -0.24 115.31 119.66 2frk h LEU 89 Ca 0.24 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2frk h LEU 89 Cb -0.08 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 2frk h LEU 89 CO -0.05 0.92 0.34 0.00 0.09 0.00 0.00 178.44 179.75 2frk h ALA 90 N 0.90 0.67 -0.47 1.53 0.00 -0.51 -1.19 119.26 120.20 2frk h ALA 90 Ca 0.13 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2frk h ALA 90 Cb 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2frk h ALA 90 CO 0.03 0.09 -0.15 1.96 0.00 0.00 0.00 179.25 181.18 2frk h GLN 91 N 0.70 0.92 -0.69 0.00 4.20 -0.81 -1.19 115.11 118.24 2frk h GLN 91 Ca 0.20 -0.37 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 2frk h GLN 91 Cb -0.06 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 2frk h GLN 91 CO -0.05 1.03 0.18 0.66 -0.67 0.00 0.00 178.83 179.97 2frk h SER 92 N 0.77 1.04 0.45 1.46 4.64 -0.90 -0.65 113.55 120.35 2frk h SER 92 Ca 0.11 -0.23 -0.14 0.00 -0.47 0.00 0.00 61.79 61.07 2frk h SER 92 Cb 0.71 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2frk h SER 92 CO 0.05 1.00 -0.59 0.45 -0.87 0.00 0.00 176.83 176.87 2frk h HIS 93 N 1.04 0.18 0.06 4.77 3.86 -1.03 -0.86 115.15 123.16 2frk h HIS 93 Ca 0.22 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2frk h HIS 93 Cb 0.36 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.79 2frk h HIS 93 CO 0.03 0.70 -0.03 0.00 0.86 0.00 0.00 177.93 179.49 2frk h ALA 94 N 1.29 -0.08 0.18 2.45 0.00 -1.12 0.15 119.26 122.13 2frk h ALA 94 Ca -0.00 -0.31 -0.34 0.00 0.00 0.00 0.00 54.91 54.26 2frk h ALA 94 Cb 1.07 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2frk h ALA 94 CO 0.09 -0.15 -1.71 1.15 0.00 0.00 0.00 179.25 178.62 2frk h THR 95 N -0.86 0.94 0.00 0.00 2.02 -1.15 -3.19 112.91 110.67 2frk h THR 95 Ca -0.01 -2.49 -0.27 0.00 0.77 0.00 0.00 66.41 64.41 2frk h THR 95 Cb 0.64 2.76 -0.04 0.00 -1.74 0.00 0.00 68.15 69.76 2frk h THR 95 CO 0.01 0.84 -1.61 1.17 0.37 0.00 0.00 175.52 176.31 2frk n LYS 96 N -3.64 0.56 0.14 6.66 4.81 -0.45 -4.61 118.16 121.63 2frk n LYS 96 Ca -0.25 0.44 0.11 0.00 -0.87 0.00 0.00 58.31 57.74 2frk n LYS 96 Cb 1.05 -1.63 0.05 0.00 0.02 0.00 0.00 35.03 34.53 2frk n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2frk h HIS 97 N -1.00 0.00 -5.65 5.64 3.86 -1.33 -3.48 115.15 113.18 2frk h HIS 97 Ca -0.41 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.47 2frk h HIS 97 Cb 1.30 0.00 0.17 0.00 1.06 0.00 0.00 27.41 29.94 2frk h HIS 97 CO -0.04 0.05 -0.79 1.63 0.86 0.00 0.00 177.93 179.64 2frk n LYS 98 N -2.85 -5.96 -3.37 2.45 4.76 -0.15 -4.97 118.16 108.07 2frk n LYS 98 Ca 0.01 0.84 -0.43 0.00 -2.87 0.00 0.00 58.31 55.86 2frk n LYS 98 Cb 0.56 -5.82 -0.09 0.00 -1.84 0.00 0.00 35.03 27.85 2frk n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2frk s ILE 99 N -3.38 5.15 0.65 -0.18 -1.09 0.35 -5.01 121.20 117.68 2frk s ILE 99 Ca 0.06 -0.43 -0.18 0.00 -2.23 0.00 0.00 60.65 57.87 2frk s ILE 99 Cb -0.01 -3.99 -0.01 0.00 -1.58 0.00 0.00 42.46 36.87 2frk s ILE 99 CO 0.74 -0.37 1.26 -2.84 -1.23 0.00 0.00 174.94 172.50 2frk s PRO 100 N 1.98 2.58 0.49 2.79 0.02 -1.26 -4.71 135.00 136.89 2frk s PRO 100 Ca 0.10 1.96 0.15 0.00 0.02 0.00 0.00 61.00 63.24 2frk s PRO 100 Cb -0.18 -1.86 1.17 0.00 0.02 0.00 0.00 34.50 33.66 2frk s PRO 100 CO 0.12 -1.55 2.08 0.97 -0.33 0.00 0.00 177.00 178.29 2frk h ILE 101 N 0.49 0.96 -0.97 2.83 6.09 -1.97 -0.00 117.51 124.93 2frk h ILE 101 Ca -0.50 -0.06 0.16 0.00 -1.37 0.00 0.00 64.86 63.09 2frk h ILE 101 Cb 1.32 0.77 -0.09 0.00 0.47 0.00 0.00 36.82 39.30 2frk h ILE 101 CO 0.53 0.03 0.61 0.50 -3.07 0.00 0.00 178.15 176.75 2frk h LYS 102 N 0.17 0.76 0.00 2.19 1.63 -2.00 -0.38 116.57 118.94 2frk h LYS 102 Ca 0.11 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.78 2frk h LYS 102 Cb 0.24 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 2frk h LYS 102 CO -0.02 0.50 -0.41 1.88 -3.45 0.00 0.00 179.45 177.96 2frk h TYR 103 N 0.78 0.00 -0.07 1.91 -1.99 -1.33 -0.54 116.97 115.73 2frk h TYR 103 Ca 0.52 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 61.12 2frk h TYR 103 Cb 0.77 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.49 2frk h TYR 103 CO -0.00 0.41 -0.54 -0.07 -0.00 0.00 0.00 178.16 177.95 2frk h LEU 104 N 0.00 0.23 -0.23 3.88 3.38 -1.11 -1.12 115.31 120.35 2frk h LEU 104 Ca -0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2frk h LEU 104 Cb 0.78 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2frk h LEU 104 CO 0.05 0.73 0.13 -0.08 0.09 0.00 0.00 178.44 179.36 2frk h GLU 105 N 0.16 0.32 -0.64 1.13 4.81 -0.71 -1.54 114.58 118.11 2frk h GLU 105 Ca 0.00 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2frk h GLU 105 Cb 1.00 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.27 2frk h GLU 105 CO 0.08 0.29 0.35 0.74 -0.73 0.00 0.00 179.01 179.74 2frk h PHE 106 N 0.26 0.64 -0.01 0.92 0.04 -0.80 -1.25 116.94 116.75 2frk h PHE 106 Ca 0.08 0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.72 2frk h PHE 106 Cb 0.06 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 2frk h PHE 106 CO -0.04 0.31 -0.72 0.97 -0.60 0.00 0.00 178.31 178.23 2frk h ILE 107 N 0.65 1.50 -0.34 -0.55 2.10 -1.11 -1.04 117.51 118.71 2frk h ILE 107 Ca 0.29 -2.41 -0.00 0.00 1.08 0.00 0.00 64.86 63.81 2frk h ILE 107 Cb 0.18 2.30 -0.02 0.00 -1.09 0.00 0.00 36.82 38.20 2frk h ILE 107 CO -0.18 0.69 0.20 0.28 -1.08 0.00 0.00 178.15 178.07 2frk h SER 108 N 0.02 0.41 -0.78 2.19 0.02 -0.79 -0.75 113.55 113.88 2frk h SER 108 Ca -0.01 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2frk h SER 108 Cb 1.27 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.67 2frk h SER 108 CO 0.10 0.35 0.38 0.44 -1.14 0.00 0.00 176.83 176.96 2frk h ASP 109 N 0.44 1.02 -0.81 3.07 3.32 -1.01 -2.37 116.42 120.09 2frk h ASP 109 Ca 0.12 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 2frk h ASP 109 Cb 0.01 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.27 2frk h ASP 109 CO -0.02 0.86 0.35 0.00 -1.72 0.00 0.00 179.24 178.70 2frk h ALA 110 N 1.30 1.04 -0.35 3.45 0.00 -0.78 -0.74 119.26 123.19 2frk h ALA 110 Ca 0.27 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2frk h ALA 110 Cb 0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2frk h ALA 110 CO -0.04 0.65 0.21 0.82 0.00 0.00 0.00 179.25 180.89 2frk h ILE 111 N 1.16 1.05 -0.60 0.00 2.04 -0.78 0.13 117.51 120.51 2frk h ILE 111 Ca 0.27 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 2frk h ILE 111 Cb 0.17 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 2frk h ILE 111 CO -0.03 0.08 0.35 0.40 0.00 0.00 0.00 178.15 178.95 2frk h ILE 112 N 0.43 1.18 -0.35 -0.67 1.08 -1.10 -0.97 117.51 117.11 2frk h ILE 112 Ca 0.14 -0.42 -0.01 0.00 -0.39 0.00 0.00 64.86 64.18 2frk h ILE 112 Cb -0.01 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 2frk h ILE 112 CO -0.06 0.19 0.19 -0.74 -0.69 0.00 0.00 178.15 177.04 2frk h HIS 113 N 0.81 0.48 -0.60 1.37 2.76 -0.80 -2.07 115.15 117.09 2frk h HIS 113 Ca 0.21 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.31 2frk h HIS 113 Cb -0.00 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.78 2frk h HIS 113 CO -0.02 0.38 0.12 0.28 -1.30 0.00 0.00 177.93 177.39 2frk h VAL 114 N 0.44 1.25 -0.64 5.26 2.07 -0.75 0.37 116.25 124.25 2frk h VAL 114 Ca 0.12 -0.94 0.01 0.00 0.82 0.00 0.00 66.70 66.71 2frk h VAL 114 Cb 0.06 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2frk h VAL 114 CO -0.02 0.35 0.42 -0.07 0.02 0.00 0.00 177.57 178.27 2frk h LEU 115 N 0.91 0.73 -0.68 2.57 3.38 -0.97 0.71 115.31 121.96 2frk h LEU 115 Ca 0.19 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 2frk h LEU 115 Cb 0.37 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2frk h LEU 115 CO 0.01 0.53 -0.17 0.45 0.09 0.00 0.00 178.44 179.35 2frk h HIS 116 N 0.87 0.95 -0.31 1.13 3.86 -0.93 -0.95 115.15 119.76 2frk h HIS 116 Ca 0.24 -0.20 -0.11 0.00 -1.16 0.00 0.00 60.37 59.13 2frk h HIS 116 Cb -0.10 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 2frk h HIS 116 CO -0.03 0.95 -0.27 1.03 0.86 0.00 0.00 177.93 180.47 2frk h SER 117 N 0.75 0.65 0.78 2.45 0.87 -0.31 -2.20 113.55 116.53 2frk h SER 117 Ca 0.11 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2frk h SER 117 Cb 0.69 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2frk h SER 117 CO 0.05 0.89 -1.06 0.29 -0.53 0.00 0.00 176.83 176.47 2frk n LYS 118 N -4.10 0.52 -2.77 2.24 5.02 0.18 -4.36 118.16 114.89 2frk n LYS 118 Ca -0.00 0.06 -0.17 0.00 -2.02 0.00 0.00 58.31 56.18 2frk n LYS 118 Cb 0.44 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 2frk n LYS 118 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2frk n HIS 119 N -2.44 1.72 -2.09 2.13 8.25 -0.37 -5.08 115.22 117.34 2frk n HIS 119 Ca 0.00 -3.22 -0.42 0.00 -0.26 0.00 0.00 57.72 53.83 2frk n HIS 119 Cb 0.52 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 2frk n HIS 119 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2frk s PRO 120 N -3.09 4.30 0.00 -0.41 0.04 -0.83 -0.90 135.00 134.11 2frk s PRO 120 Ca 0.37 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.59 2frk s PRO 120 Cb 0.40 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.76 2frk s PRO 120 CO -0.05 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 176.98 2frk n GLY 121 N 2.92 1.37 0.11 0.56 0.00 -1.26 -4.80 105.19 104.09 2frk n GLY 121 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.17 2frk n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2frk n ASP 122 N 0.00 2.31 -3.52 1.61 2.03 -0.08 -4.82 116.55 114.08 2frk n ASP 122 Ca 0.00 -2.55 -0.28 0.00 0.52 0.00 0.00 54.79 52.48 2frk n ASP 122 Cb 0.00 -0.24 -0.11 0.00 -0.72 0.00 0.00 41.12 40.05 2frk n ASP 122 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2frk s PHE 123 N -1.95 1.50 0.92 -0.67 5.36 -1.13 -5.01 117.98 117.00 2frk s PHE 123 Ca 0.18 -2.35 -0.16 0.00 -0.96 0.00 0.00 56.93 53.64 2frk s PHE 123 Cb 0.15 -1.31 0.22 0.00 -0.34 0.00 0.00 43.02 41.74 2frk s PHE 123 CO 0.03 -0.78 1.14 0.41 -1.46 0.00 0.00 175.22 174.55 2frk n GLY 124 N 3.04 -1.75 0.24 13.12 0.00 -1.26 -4.66 105.19 113.92 2frk n GLY 124 Ca 0.22 -1.66 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 2frk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2frk h ALA 125 N -2.00 0.75 -0.12 4.61 0.00 -2.00 0.97 119.26 121.47 2frk h ALA 125 Ca -0.38 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2frk h ALA 125 Cb 1.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2frk h ALA 125 CO 0.26 0.22 0.05 0.38 0.00 0.00 0.00 179.25 180.17 2frk h ASP 126 N 0.79 0.16 -0.53 0.00 3.04 -1.99 -1.32 116.42 116.57 2frk h ASP 126 Ca 0.21 -0.13 0.01 0.00 -3.24 0.00 0.00 57.03 53.88 2frk h ASP 126 Cb -0.03 -0.04 -0.03 0.00 -1.04 0.00 0.00 39.33 38.19 2frk h ASP 126 CO -0.04 0.24 0.35 0.00 -2.04 0.00 0.00 179.24 177.75 2frk h ALA 127 N 0.92 0.68 -0.65 4.15 0.00 -1.83 -0.83 119.26 121.70 2frk h ALA 127 Ca 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2frk h ALA 127 Cb 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2frk h ALA 127 CO -0.00 0.11 0.19 0.37 0.00 0.00 0.00 179.25 179.92 2frk h GLN 128 N 0.71 1.02 -0.53 0.00 4.15 -0.76 -0.29 115.11 119.42 2frk h GLN 128 Ca 0.20 -0.22 0.02 0.00 0.77 0.00 0.00 58.65 59.41 2frk h GLN 128 Cb -0.07 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.44 2frk h GLN 128 CO -0.05 0.90 0.33 0.78 -1.93 0.00 0.00 178.83 178.86 2frk h GLY 129 N 0.95 0.75 0.72 2.39 0.00 -0.76 0.28 103.07 107.40 2frk h GLY 129 Ca 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 2frk h GLY 129 CO -0.00 0.22 -0.05 0.00 0.00 0.00 0.00 176.54 176.71 2frk h ALA 130 N 1.22 0.17 -0.66 3.60 0.00 -0.93 -1.72 119.26 120.94 2frk h ALA 130 Ca 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2frk h ALA 130 Cb -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2frk h ALA 130 CO -0.08 -0.05 0.31 1.98 0.00 0.00 0.00 179.25 181.41 2frk h MET 131 N -0.09 0.94 -0.49 0.00 1.85 -0.94 -1.17 114.93 115.04 2frk h MET 131 Ca 0.03 -0.13 -0.02 0.00 -0.61 0.00 0.00 59.70 58.97 2frk h MET 131 Cb 0.50 -0.18 -0.02 0.00 0.43 0.00 0.00 31.60 32.34 2frk h MET 131 CO 0.02 0.73 0.21 1.15 -0.40 0.00 0.00 176.91 178.62 2frk h THR 132 N 0.94 1.20 -0.77 -0.77 2.02 -0.80 -1.23 112.91 113.50 2frk h THR 132 Ca 0.23 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2frk h THR 132 Cb 0.11 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 2frk h THR 132 CO -0.03 0.23 0.49 0.11 0.37 0.00 0.00 175.52 176.69 2frk h LYS 133 N 0.64 1.03 -0.63 6.66 1.57 -0.80 -0.28 116.57 124.76 2frk h LYS 133 Ca 0.16 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 2frk h LYS 133 Cb 0.16 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2frk h LYS 133 CO -0.02 0.70 0.03 0.00 -0.57 0.00 0.00 179.45 179.60 2frk h ALA 134 N 1.26 0.84 -0.09 3.86 0.00 -0.91 -0.44 119.26 123.78 2frk h ALA 134 Ca 0.28 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2frk h ALA 134 Cb -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2frk h ALA 134 CO -0.06 0.66 -0.55 -0.07 0.00 0.00 0.00 179.25 179.23 2frk h LEU 135 N 0.99 0.28 -0.52 0.00 3.38 -0.96 -1.57 115.31 116.92 2frk h LEU 135 Ca 0.18 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2frk h LEU 135 Cb 0.53 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2frk h LEU 135 CO 0.03 0.78 0.10 -0.33 0.09 0.00 0.00 178.44 179.11 2frk h GLU 136 N 0.20 0.85 -0.40 1.13 5.08 -0.76 -0.60 114.58 120.08 2frk h GLU 136 Ca 0.00 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2frk h GLU 136 Cb 1.03 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2frk h GLU 136 CO 0.09 0.83 0.23 1.25 -1.00 0.00 0.00 179.01 180.41 2frk h LEU 137 N 0.74 0.48 0.08 1.33 5.85 -0.87 0.13 115.31 123.05 2frk h LEU 137 Ca 0.16 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2frk h LEU 137 Cb 0.37 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2frk h LEU 137 CO 0.01 0.41 -0.27 0.15 -0.34 0.00 0.00 178.44 178.39 2frk h PHE 138 N 0.52 -0.73 -0.69 1.25 3.57 -1.18 -1.07 116.94 118.61 2frk h PHE 138 Ca 0.14 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.70 2frk h PHE 138 Cb 0.02 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 2frk h PHE 138 CO -0.03 -0.37 0.42 -0.09 -2.23 0.00 0.00 178.31 176.01 2frk h ARG 139 N -0.46 0.79 -0.52 1.11 2.43 -0.93 -1.81 114.38 114.99 2frk h ARG 139 Ca 0.04 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 2frk h ARG 139 Cb 0.51 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2frk h ARG 139 CO -0.19 0.52 -0.05 -0.97 -1.51 0.00 0.00 179.97 177.77 2frk h ASN 140 N 0.81 0.90 0.08 -3.80 -1.24 -0.45 0.77 115.58 112.66 2frk h ASN 140 Ca 0.29 -0.26 -0.17 0.00 0.71 0.00 0.00 56.30 56.86 2frk h ASN 140 Cb 0.06 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 38.86 2frk h ASN 140 CO -0.13 0.99 -0.61 0.44 -1.29 0.00 0.00 177.43 176.84 2frk h ASP 141 N 0.84 0.60 -0.37 1.15 3.32 -1.03 -1.47 116.42 119.45 2frk h ASP 141 Ca 0.15 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 2frk h ASP 141 Cb 0.57 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2frk h ASP 141 CO 0.03 1.07 0.23 0.40 -1.72 0.00 0.00 179.24 179.25 2frk h ILE 142 N 0.39 1.12 -0.55 0.35 2.04 -1.12 -2.93 117.51 116.81 2frk h ILE 142 Ca -0.01 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 2frk h ILE 142 Cb 1.16 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 2frk h ILE 142 CO 0.11 0.12 0.32 0.00 0.00 0.00 0.00 178.15 178.70 2frk h ALA 143 N 1.10 1.52 -0.91 1.87 0.00 -0.63 0.63 119.26 122.84 2frk h ALA 143 Ca 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2frk h ALA 143 Cb -0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2frk h ALA 143 CO -0.03 0.41 0.51 0.00 0.00 0.00 0.00 179.25 180.14 2frk h ALA 144 N 1.59 1.16 -0.28 0.00 0.00 -1.13 -0.18 119.26 120.42 2frk h ALA 144 Ca 0.20 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 2frk h ALA 144 Cb -0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 2frk h ALA 144 CO -0.04 0.66 -0.50 0.87 0.00 0.00 0.00 179.25 180.24 2frk h LYS 145 N 1.27 0.78 -0.67 0.00 1.79 -1.04 -2.43 116.57 116.26 2frk h LYS 145 Ca 0.32 -0.47 0.05 0.00 -2.18 0.00 0.00 60.65 58.37 2frk h LYS 145 Cb 0.01 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.65 2frk h LYS 145 CO -0.05 1.09 0.39 1.88 -1.08 0.00 0.00 179.45 181.68 2frk h TYR 146 N 0.61 0.73 -0.56 -1.35 -1.99 -0.62 -2.17 116.97 111.62 2frk h TYR 146 Ca 0.02 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 2frk h TYR 146 Cb 1.08 -0.23 -0.03 0.00 2.00 0.00 0.00 36.73 39.56 2frk h TYR 146 CO 0.06 0.38 0.32 -0.22 -0.00 0.00 0.00 178.16 178.69 2frk h LYS 147 N 0.74 0.77 -0.62 4.88 3.64 -0.86 -0.46 116.57 124.66 2frk h LYS 147 Ca 0.29 -0.08 0.12 0.00 -1.27 0.00 0.00 60.65 59.70 2frk h LYS 147 Cb 0.12 -0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 31.69 2frk h LYS 147 CO -0.15 0.58 0.14 1.49 -2.27 0.00 0.00 179.45 179.24 2frk h GLU 148 N 0.75 0.26 0.00 1.90 4.81 -1.05 -1.06 114.58 120.19 2frk h GLU 148 Ca 0.20 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2frk h GLU 148 Cb 0.03 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2frk h GLU 148 CO -0.03 0.17 0.00 1.28 -0.73 0.00 0.00 179.01 179.70 2frk n LEU 149 N -5.13 0.00 -1.48 1.64 4.77 -0.84 -4.90 117.00 111.05 2frk n LEU 149 Ca 0.10 0.41 -0.15 0.00 -0.03 0.00 0.00 56.01 56.33 2frk n LEU 149 Cb 0.34 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 2frk n LEU 149 CO 0.16 -0.01 -0.17 0.61 -1.33 0.00 0.00 177.39 176.65 2frk n GLY 150 N 1.32 0.51 3.71 -0.72 0.00 -0.31 -4.96 105.19 104.74 2frk n GLY 150 Ca 0.10 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2frk n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2frk s PHE 151 N -2.67 3.66 0.00 1.61 5.36 -0.44 -5.02 117.98 120.48 2frk s PHE 151 Ca 0.00 1.62 0.00 0.00 -0.96 0.00 0.00 56.93 57.59 2frk s PHE 151 Cb 0.00 -3.04 0.00 0.00 -0.34 0.00 0.00 43.02 39.64 2frk s PHE 151 CO 0.00 0.04 0.00 1.04 -1.46 0.00 0.00 175.22 174.84