#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1faw s HIS 2 N 0.00 3.17 -0.50 1.45 5.04 -1.26 -5.04 115.29 118.15 1faw s HIS 2 Ca 0.00 -0.47 -0.17 0.00 -1.54 0.00 0.00 55.06 52.88 1faw s HIS 2 Cb 0.00 -2.34 0.08 0.00 0.04 0.00 0.00 32.58 30.36 1faw s HIS 2 CO 0.00 -0.41 0.50 -1.58 -2.34 0.00 0.00 174.74 170.91 1faw s TRP 3 N 1.63 3.17 0.98 3.88 0.52 -1.26 -5.06 118.94 122.79 1faw s TRP 3 Ca 0.05 -0.87 -0.13 0.00 0.02 0.00 0.00 56.10 55.18 1faw s TRP 3 Cb -0.17 -3.43 0.09 0.00 -1.15 0.00 0.00 33.47 28.82 1faw s TRP 3 CO 0.06 -0.93 0.60 0.45 0.02 0.00 0.00 176.95 177.14 1faw n SER 4 N 5.58 -1.46 -0.07 2.95 2.88 -1.26 -4.83 113.62 117.41 1faw n SER 4 Ca -0.11 0.27 -0.12 0.00 -1.33 0.00 0.00 58.87 57.59 1faw n SER 4 Cb 0.44 -1.25 0.01 0.00 -0.75 0.00 0.00 64.21 62.65 1faw n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1faw h ALA 5 N -1.78 0.62 -0.46 -1.46 0.00 -2.00 -2.90 119.26 111.28 1faw h ALA 5 Ca -0.46 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 53.91 1faw h ALA 5 Cb 1.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1faw h ALA 5 CO 0.37 0.67 0.00 0.93 0.00 0.00 0.00 179.25 181.23 1faw h GLU 6 N 0.64 0.80 -0.13 0.00 3.07 -1.99 -2.46 114.58 114.51 1faw h GLU 6 Ca 0.04 -0.26 0.04 0.00 -0.50 0.00 0.00 59.36 58.68 1faw h GLU 6 Cb 1.02 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.82 1faw h GLU 6 CO 0.10 0.86 -0.12 0.93 -1.40 0.00 0.00 179.01 179.38 1faw h GLU 7 N 0.65 -0.14 -0.31 2.33 5.08 -1.91 0.48 114.58 120.77 1faw h GLU 7 Ca 0.13 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1faw h GLU 7 Cb 0.50 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1faw h GLU 7 CO 0.02 -0.09 0.02 0.87 -1.00 0.00 0.00 179.01 178.83 1faw h LYS 8 N -0.14 0.11 -0.41 2.33 1.57 -1.42 0.42 116.57 119.03 1faw h LYS 8 Ca 0.09 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1faw h LYS 8 Cb 0.28 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1faw h LYS 8 CO -0.22 0.08 0.19 0.37 -0.57 0.00 0.00 179.45 179.29 1faw h GLN 9 N 0.12 0.37 -0.74 3.15 4.15 -0.83 0.12 115.11 121.44 1faw h GLN 9 Ca 0.15 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.49 1faw h GLN 9 Cb 0.18 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 1faw h GLN 9 CO -0.23 0.25 0.26 -0.07 -1.93 0.00 0.00 178.83 177.11 1faw h LEU 10 N 0.38 1.06 0.06 -2.39 3.38 0.81 -0.48 115.31 118.13 1faw h LEU 10 Ca 0.18 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1faw h LEU 10 Cb 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1faw h LEU 10 CO -0.14 0.97 -0.03 0.40 0.09 0.00 0.00 178.44 179.73 1faw h ILE 11 N 1.09 1.22 -0.33 1.22 2.04 0.26 -3.18 117.51 119.84 1faw h ILE 11 Ca 0.24 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 1faw h ILE 11 Cb 0.27 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1faw h ILE 11 CO -0.01 0.25 0.14 0.74 0.00 0.00 0.00 178.15 179.27 1faw h THR 12 N -0.54 1.17 0.00 -0.27 2.02 -0.77 -2.36 112.91 112.17 1faw h THR 12 Ca -0.01 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1faw h THR 12 Cb 0.47 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1faw h THR 12 CO 0.01 0.18 0.00 0.61 0.37 0.00 0.00 175.52 176.70 1faw n GLY 13 N -0.79 -2.95 0.32 2.16 0.00 -0.19 -2.62 105.19 101.12 1faw n GLY 13 Ca -0.01 0.28 0.08 0.00 0.00 0.00 0.00 46.02 46.36 1faw n GLY 13 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1faw h LEU 14 N 0.00 -0.61 -1.18 0.99 7.12 -1.64 -0.66 115.31 119.33 1faw h LEU 14 Ca 0.00 0.26 0.23 0.00 0.13 0.00 0.00 57.88 58.50 1faw h LEU 14 Cb 0.00 0.49 -0.10 0.00 -0.53 0.00 0.00 40.66 40.52 1faw h LEU 14 CO 0.00 -0.29 0.63 -0.25 -0.13 0.00 0.00 178.44 178.40 1faw h TRP 15 N 0.03 0.86 0.00 1.25 2.91 -1.24 0.23 115.95 119.99 1faw h TRP 15 Ca 0.49 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.54 1faw h TRP 15 Cb 0.87 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 29.27 1faw h TRP 15 CO -0.57 0.12 0.00 0.78 -1.03 0.00 0.00 178.44 177.74 1faw h GLY 16 N 0.55 0.00 -2.10 2.65 0.00 -0.86 -2.20 103.07 101.11 1faw h GLY 16 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 1faw h GLY 16 CO -0.36 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.46 1faw n LYS 17 N -2.33 2.84 -3.00 4.80 5.02 0.07 -4.98 118.16 120.58 1faw n LYS 17 Ca 0.01 -2.42 -0.40 0.00 -2.02 0.00 0.00 58.31 53.47 1faw n LYS 17 Cb 0.17 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.67 1faw n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1faw s VAL 18 N -1.06 5.02 -1.04 -0.18 1.01 -0.83 -5.00 120.40 118.32 1faw s VAL 18 Ca 0.38 1.52 -0.19 0.00 0.00 0.00 0.00 61.98 63.70 1faw s VAL 18 Cb 0.20 -4.08 0.11 0.00 0.00 0.00 0.00 36.38 32.62 1faw s VAL 18 CO 0.25 0.23 1.32 0.21 0.00 0.00 0.00 175.10 177.12 1faw s ASN 19 N 0.83 6.70 0.31 3.32 3.84 -1.26 -4.89 114.94 123.78 1faw s ASN 19 Ca 0.39 -2.10 0.04 0.00 0.21 0.00 0.00 52.86 51.40 1faw s ASN 19 Cb -0.18 -2.46 0.81 0.00 -0.55 0.00 0.00 41.25 38.87 1faw s ASN 19 CO 0.19 -1.13 1.60 -0.37 -2.79 0.00 0.00 177.10 174.60 1faw h VAL 20 N 5.84 0.13 0.43 -5.21 -1.51 -1.95 -0.92 116.25 113.07 1faw h VAL 20 Ca 0.23 -0.03 -0.02 0.00 -1.23 0.00 0.00 66.70 65.65 1faw h VAL 20 Cb 0.98 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 1faw h VAL 20 CO 1.25 0.01 -0.21 0.00 -1.23 0.00 0.00 177.57 177.39 1faw h ALA 21 N 1.91 -0.58 -0.85 5.19 0.00 -1.90 -0.56 119.26 122.46 1faw h ALA 21 Ca 0.61 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1faw h ALA 21 Cb 1.32 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1faw h ALA 21 CO -0.80 -0.64 0.44 -0.44 0.00 0.00 0.00 179.25 177.81 1faw h ASP 22 N -0.96 1.09 -0.08 0.00 3.45 -1.88 -1.32 116.42 116.72 1faw h ASP 22 Ca -0.06 -0.12 -0.08 0.00 0.43 0.00 0.00 57.03 57.20 1faw h ASP 22 Cb 0.57 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 1faw h ASP 22 CO 0.10 0.90 -0.28 0.00 -1.57 0.00 0.00 179.24 178.39 1faw h GLY 24 N -0.14 0.85 0.92 0.00 0.00 -1.02 0.21 103.07 103.89 1faw h GLY 24 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1faw h GLY 24 CO 0.06 0.26 0.09 0.00 0.00 0.00 0.00 176.54 176.96 1faw h ALA 25 N 1.24 0.26 -0.70 3.60 0.00 -1.28 -1.77 119.26 120.61 1faw h ALA 25 Ca 0.23 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1faw h ALA 25 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1faw h ALA 25 CO -0.08 -0.18 0.22 1.49 0.00 0.00 0.00 179.25 180.71 1faw h GLU 26 N 0.19 1.08 -0.26 0.00 4.81 -0.89 -0.21 114.58 119.31 1faw h GLU 26 Ca 0.07 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1faw h GLU 26 Cb 0.12 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1faw h GLU 26 CO -0.01 0.93 0.07 0.00 -0.73 0.00 0.00 179.01 179.27 1faw h ALA 27 N 1.10 0.34 -0.14 2.92 0.00 -0.47 -1.36 119.26 121.64 1faw h ALA 27 Ca 0.23 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1faw h ALA 27 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1faw h ALA 27 CO -0.01 -0.02 -0.52 1.25 0.00 0.00 0.00 179.25 179.95 1faw h LEU 28 N 0.24 0.45 -0.89 0.00 5.85 -1.22 -2.06 115.31 117.69 1faw h LEU 28 Ca 0.08 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 1faw h LEU 28 Cb 0.26 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1faw h LEU 28 CO -0.00 0.89 0.11 0.00 -0.34 0.00 0.00 178.44 179.09 1faw h ALA 29 N 1.13 1.09 -0.33 1.25 0.00 -0.90 -2.53 119.26 118.97 1faw h ALA 29 Ca 0.01 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1faw h ALA 29 Cb 1.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1faw h ALA 29 CO 0.09 0.60 -0.21 0.00 0.00 0.00 0.00 179.25 179.73 1faw h ARG 30 N 0.88 0.72 -0.07 0.00 3.08 -1.10 -2.19 114.38 115.71 1faw h ARG 30 Ca 0.18 -0.33 0.04 0.00 0.07 0.00 0.00 59.98 59.94 1faw h ARG 30 Cb 0.37 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 1faw h ARG 30 CO 0.01 0.94 -0.39 1.25 -1.07 0.00 0.00 179.97 180.71 1faw h LEU 31 N 0.48 -1.18 -1.23 3.04 5.85 -1.14 0.36 115.31 121.49 1faw h LEU 31 Ca 0.07 0.15 0.06 0.00 0.84 0.00 0.00 57.88 59.00 1faw h LEU 31 Cb 0.75 0.48 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 1faw h LEU 31 CO 0.06 -0.42 0.55 -0.07 -0.34 0.00 0.00 178.44 178.21 1faw h LEU 32 N -0.50 0.83 0.16 2.25 4.07 -1.44 -0.70 115.31 119.98 1faw h LEU 32 Ca 0.07 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.73 1faw h LEU 32 Cb 0.61 -0.18 0.01 0.00 1.08 0.00 0.00 40.66 42.18 1faw h LEU 32 CO -0.34 0.55 -1.35 0.40 -1.08 0.00 0.00 178.44 176.61 1faw h ILE 33 N 0.95 1.39 0.08 1.22 2.04 -0.69 -3.11 117.51 119.40 1faw h ILE 33 Ca 0.35 -2.93 -0.28 0.00 1.00 0.00 0.00 64.86 62.99 1faw h ILE 33 Cb 0.17 2.94 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 1faw h ILE 33 CO -0.12 0.86 -1.43 0.58 0.00 0.00 0.00 178.15 178.05 1faw h VAL 34 N 0.09 1.26 -2.48 1.67 2.07 -0.23 -3.39 116.25 115.25 1faw h VAL 34 Ca -0.18 -2.93 -0.60 0.00 0.82 0.00 0.00 66.70 63.81 1faw h VAL 34 Cb 2.03 2.76 -0.41 0.00 -1.52 0.00 0.00 31.29 34.14 1faw h VAL 34 CO 0.21 0.82 -0.69 -1.22 0.02 0.00 0.00 177.57 176.72 1faw n TYR 35 N -3.40 2.59 -0.34 1.57 4.01 -0.28 -4.99 117.16 116.33 1faw n TYR 35 Ca -0.13 -4.06 0.29 0.00 -0.16 0.00 0.00 57.90 53.85 1faw n TYR 35 Cb 1.02 -0.48 0.61 0.00 -0.31 0.00 0.00 39.34 40.18 1faw n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1faw h PRO 36 N 4.69 0.22 0.00 -0.72 0.13 -1.73 -1.25 132.00 133.33 1faw h PRO 36 Ca 0.17 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1faw h PRO 36 Cb 0.74 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1faw h PRO 36 CO 0.71 0.14 0.00 -2.67 -0.23 0.00 0.00 178.00 175.95 1faw n TRP 37 N -4.48 0.65 0.31 1.56 2.14 -1.26 -0.10 117.44 116.27 1faw n TRP 37 Ca 0.27 0.33 0.14 0.00 2.07 0.00 0.00 57.50 60.31 1faw n TRP 37 Cb 1.08 -1.03 0.45 0.00 -0.81 0.00 0.00 31.31 31.00 1faw n TRP 37 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 1faw h THR 38 N 0.00 0.00 -0.01 -1.67 1.35 -1.54 -2.79 112.91 108.25 1faw h THR 38 Ca 0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1faw h THR 38 Cb 0.05 1.61 -0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1faw h THR 38 CO 0.00 0.00 0.01 1.56 -0.25 0.00 0.00 175.52 176.84 1faw h GLN 39 N 0.00 0.00 -0.91 4.72 4.20 -0.70 -2.46 115.11 119.95 1faw h GLN 39 Ca 0.00 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.86 1faw h GLN 39 Cb 0.69 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.38 1faw h GLN 39 CO 0.00 0.00 0.52 -0.09 -0.67 0.00 0.00 178.83 178.59 1faw h ARG 40 N 0.00 0.72 0.00 1.46 2.43 -1.65 -0.98 114.38 116.36 1faw h ARG 40 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1faw h ARG 40 Cb 0.02 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1faw h ARG 40 CO -0.00 0.47 0.00 1.19 -1.51 0.00 0.00 179.97 180.12 1faw n PHE 41 N -4.79 0.00 -1.60 2.20 3.01 -0.93 -3.79 117.46 111.57 1faw n PHE 41 Ca 0.19 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.61 1faw n PHE 41 Cb 0.44 -0.33 0.17 0.00 -0.01 0.00 0.00 39.48 39.75 1faw n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1faw n PHE 42 N -1.33 0.92 -0.00 1.38 3.01 -0.37 -4.75 117.46 116.31 1faw n PHE 42 Ca 0.11 -1.70 0.08 0.00 1.01 0.00 0.00 57.45 56.96 1faw n PHE 42 Cb 0.23 -0.40 0.49 0.00 -0.01 0.00 0.00 39.48 39.80 1faw n PHE 42 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1faw h SER 43 N 1.20 0.35 0.08 4.37 4.64 -1.65 -0.85 113.55 121.68 1faw h SER 43 Ca 0.16 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1faw h SER 43 Cb 1.33 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1faw h SER 43 CO 0.31 0.24 0.00 -1.54 -0.87 0.00 0.00 176.83 174.97 1faw n SER 44 N -4.48 0.00 -0.22 4.97 3.41 -1.26 -2.39 113.62 113.65 1faw n SER 44 Ca 0.05 -0.21 0.13 0.00 -0.26 0.00 0.00 58.87 58.58 1faw n SER 44 Cb 0.21 -0.10 0.35 0.00 -0.26 0.00 0.00 64.21 64.41 1faw n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1faw n PHE 45 N -1.10 0.00 0.00 7.33 0.99 -0.33 -5.05 117.46 119.31 1faw n PHE 45 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 1faw n PHE 45 Cb 0.06 -0.13 0.00 0.00 -1.00 0.00 0.00 39.48 38.40 1faw n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1faw n GLY 46 N 1.36 0.80 3.63 1.37 0.00 -1.01 -4.81 105.19 106.54 1faw n GLY 46 Ca 0.11 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 1faw n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1faw s ASN 47 N -4.00 6.83 -0.07 1.61 2.47 -1.26 -4.84 114.94 115.67 1faw s ASN 47 Ca 0.00 0.87 0.14 0.00 0.42 0.00 0.00 52.86 54.29 1faw s ASN 47 Cb 0.00 -2.52 0.27 0.00 -1.45 0.00 0.00 41.25 37.55 1faw s ASN 47 CO 0.00 -0.91 1.13 0.18 -3.72 0.00 0.00 177.10 173.78 1faw n LEU 48 N 6.93 1.38 0.04 3.21 4.77 -1.26 -4.36 117.00 127.71 1faw n LEU 48 Ca 0.11 -2.36 -0.11 0.00 -0.03 0.00 0.00 56.01 53.62 1faw n LEU 48 Cb 0.48 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1faw n LEU 48 CO 0.60 0.67 0.77 0.77 -1.33 0.00 0.00 177.39 178.86 1faw h SER 49 N 0.47 -0.43 -2.28 -1.43 4.64 -1.93 -3.45 113.55 109.13 1faw h SER 49 Ca -0.06 0.07 -0.58 0.00 -0.47 0.00 0.00 61.79 60.75 1faw h SER 49 Cb 1.35 0.19 -0.14 0.00 -0.31 0.00 0.00 62.40 63.50 1faw h SER 49 CO 0.03 -0.20 -0.70 -0.94 -0.87 0.00 0.00 176.83 174.15 1faw s SER 50 N -5.02 3.42 0.33 4.97 1.04 -1.26 -5.03 113.70 112.16 1faw s SER 50 Ca -0.14 -1.16 0.01 0.00 0.48 0.00 0.00 55.95 55.14 1faw s SER 50 Cb 0.09 -0.29 0.57 0.00 0.10 0.00 0.00 66.02 66.50 1faw s SER 50 CO 0.67 -0.19 1.96 1.55 0.98 0.00 0.00 173.24 178.20 1faw h PRO 51 N 2.15 0.82 -0.08 4.02 0.13 -1.99 -1.03 132.00 136.02 1faw h PRO 51 Ca -0.41 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1faw h PRO 51 Cb 1.25 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1faw h PRO 51 CO 0.67 0.60 -0.16 1.15 -0.23 0.00 0.00 178.00 180.03 1faw h THR 52 N 0.83 1.16 -0.06 1.56 2.02 -1.98 0.36 112.91 116.81 1faw h THR 52 Ca 0.21 -0.75 -0.24 0.00 0.77 0.00 0.00 66.41 66.40 1faw h THR 52 Cb 0.02 1.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1faw h THR 52 CO -0.04 0.22 -0.93 0.00 0.37 0.00 0.00 175.52 175.15 1faw h ALA 53 N 1.72 0.24 -0.43 6.16 0.00 -1.65 -2.54 119.26 122.76 1faw h ALA 53 Ca 0.02 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.18 1faw h ALA 53 Cb 0.37 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1faw h ALA 53 CO 0.02 0.71 -0.12 0.82 0.00 0.00 0.00 179.25 180.68 1faw h ILE 54 N 0.42 1.26 -0.27 0.00 2.04 -0.71 0.90 117.51 121.15 1faw h ILE 54 Ca -0.09 -1.17 -0.07 0.00 1.00 0.00 0.00 64.86 64.52 1faw h ILE 54 Cb 1.57 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 1faw h ILE 54 CO 0.18 0.40 -0.15 -0.07 0.00 0.00 0.00 178.15 178.51 1faw h LEU 55 N 0.70 0.45 0.00 1.44 -0.00 -0.91 -3.21 115.31 113.77 1faw h LEU 55 Ca 0.12 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 1faw h LEU 55 Cb 0.59 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 41.13 1faw h LEU 55 CO 0.04 0.63 -1.38 0.61 -0.00 0.00 0.00 178.44 178.34 1faw n GLY 56 N -0.60 -1.29 3.58 0.83 0.00 -0.96 -4.91 105.19 101.82 1faw n GLY 56 Ca 0.00 -0.33 -0.54 0.00 0.00 0.00 0.00 46.02 45.15 1faw n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1faw n ASN 57 N -2.55 2.30 -0.07 1.61 2.85 0.28 -4.84 115.26 114.83 1faw n ASN 57 Ca -0.02 0.79 0.15 0.00 -0.11 0.00 0.00 54.58 55.39 1faw n ASN 57 Cb 0.58 -1.19 0.55 0.00 1.24 0.00 0.00 39.78 40.95 1faw n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1faw h PRO 58 N 9.48 0.29 0.00 1.20 0.11 -1.91 -2.33 132.00 138.84 1faw h PRO 58 Ca -0.37 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 1faw h PRO 58 Cb 1.32 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1faw h PRO 58 CO 0.99 0.19 -0.41 0.52 -0.21 0.00 0.00 178.00 179.09 1faw h MET 59 N 0.30 0.00 -0.06 1.05 2.86 -1.88 -1.12 114.93 116.08 1faw h MET 59 Ca 0.29 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.89 1faw h MET 59 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1faw h MET 59 CO -0.07 0.31 -0.11 0.28 1.06 0.00 0.00 176.91 178.38 1faw h VAL 60 N 0.00 1.42 -0.30 -2.22 2.07 -1.75 0.47 116.25 115.94 1faw h VAL 60 Ca -0.01 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 1faw h VAL 60 Cb 1.26 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 1faw h VAL 60 CO 0.04 0.39 0.16 0.03 0.02 0.00 0.00 177.57 178.21 1faw h ARG 61 N -0.33 0.42 -0.64 1.57 3.08 -1.54 0.39 114.38 117.33 1faw h ARG 61 Ca 0.00 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.03 1faw h ARG 61 Cb 0.69 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.63 1faw h ARG 61 CO 0.02 0.37 0.43 0.00 -1.07 0.00 0.00 179.97 179.72 1faw h ALA 62 N 1.03 1.63 0.22 0.04 0.00 -1.17 -2.11 119.26 118.89 1faw h ALA 62 Ca 0.10 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.64 1faw h ALA 62 Cb 0.07 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.67 1faw h ALA 62 CO -0.02 0.31 -1.63 1.25 0.00 0.00 0.00 179.25 179.16 1faw h HIS 63 N 0.78 0.84 -0.76 0.00 -0.00 -0.46 -3.23 115.15 112.32 1faw h HIS 63 Ca 0.25 -0.61 0.12 0.00 -0.00 0.00 0.00 60.37 60.13 1faw h HIS 63 Cb 0.05 -0.03 -0.08 0.00 -0.00 0.00 0.00 27.41 27.34 1faw h HIS 63 CO -0.00 1.62 0.37 0.78 -0.00 0.00 0.00 177.93 180.70 1faw h GLY 64 N 0.46 1.17 0.83 5.26 0.00 0.06 -0.06 103.07 110.79 1faw h GLY 64 Ca -0.30 -0.22 0.04 0.00 0.00 0.00 0.00 47.33 46.85 1faw h GLY 64 CO 0.22 0.01 0.40 1.70 0.00 0.00 0.00 176.54 178.87 1faw h LYS 65 N 0.58 0.76 -0.35 4.80 3.64 -1.47 -2.14 116.57 122.38 1faw h LYS 65 Ca 0.39 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.66 1faw h LYS 65 Cb 0.49 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1faw h LYS 65 CO -0.32 0.50 -0.05 0.87 -2.27 0.00 0.00 179.45 178.18 1faw h LYS 66 N 0.78 0.58 -0.20 1.90 1.57 -1.08 -1.64 116.57 118.48 1faw h LYS 66 Ca 0.27 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1faw h LYS 66 Cb 0.06 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1faw h LYS 66 CO -0.12 0.64 0.04 0.28 -0.57 0.00 0.00 179.45 179.72 1faw h VAL 67 N 0.54 1.21 0.00 0.50 2.07 -0.61 -2.09 116.25 117.87 1faw h VAL 67 Ca 0.11 -0.70 -0.10 0.00 0.82 0.00 0.00 66.70 66.83 1faw h VAL 67 Cb 0.43 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1faw h VAL 67 CO 0.02 0.22 -0.47 -0.07 0.02 0.00 0.00 177.57 177.29 1faw h LEU 68 N 0.14 0.00 -1.27 2.57 3.38 -1.28 -2.10 115.31 116.74 1faw h LEU 68 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1faw h LEU 68 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1faw h LEU 68 CO 0.00 0.47 -0.16 0.74 0.09 0.00 0.00 178.44 179.59 1faw h THR 69 N 0.00 1.21 -0.59 0.22 2.02 -1.15 -1.82 112.91 112.79 1faw h THR 69 Ca -0.00 -0.92 -0.07 0.00 0.77 0.00 0.00 66.41 66.18 1faw h THR 69 Cb 0.87 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1faw h THR 69 CO 0.06 0.29 0.09 -1.28 0.37 0.00 0.00 175.52 175.05 1faw h SER 70 N 0.28 0.95 -0.08 4.18 0.87 -0.70 -1.90 113.55 117.15 1faw h SER 70 Ca 0.05 -0.26 -0.04 0.00 -1.23 0.00 0.00 61.79 60.30 1faw h SER 70 Cb 0.45 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1faw h SER 70 CO 0.03 0.98 -0.06 -0.26 -0.53 0.00 0.00 176.83 176.98 1faw h PHE 71 N 0.89 0.34 -0.67 2.24 -1.00 -1.02 -1.96 116.94 115.76 1faw h PHE 71 Ca 0.18 -0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.96 1faw h PHE 71 Cb 0.43 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 39.85 1faw h PHE 71 CO 0.03 0.40 0.41 0.78 -1.61 0.00 0.00 178.31 178.33 1faw h GLY 72 N 0.73 0.97 1.35 -1.45 0.00 -0.56 -0.16 103.07 103.95 1faw h GLY 72 Ca 0.07 -0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.13 1faw h GLY 72 CO 0.01 0.25 0.33 -0.55 0.00 0.00 0.00 176.54 176.59 1faw h ASP 73 N 0.80 0.44 0.64 0.19 3.32 -1.00 0.18 116.42 120.99 1faw h ASP 73 Ca 0.27 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.15 1faw h ASP 73 Cb 0.04 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1faw h ASP 73 CO -0.12 0.29 -0.79 0.00 -1.72 0.00 0.00 179.24 176.91 1faw h ALA 74 N 1.72 0.67 0.00 3.45 0.00 -0.96 -2.94 119.26 121.20 1faw h ALA 74 Ca 0.21 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1faw h ALA 74 Cb 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1faw h ALA 74 CO -0.05 0.91 0.00 0.28 0.00 0.00 0.00 179.25 180.38 1faw h VAL 75 N 0.06 0.00 0.00 0.00 2.07 0.68 -2.88 116.25 116.18 1faw h VAL 75 Ca -0.02 -0.61 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 1faw h VAL 75 Cb 1.38 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 1faw h VAL 75 CO 0.11 0.00 -1.20 0.11 0.02 0.00 0.00 177.57 176.62 1faw h LYS 76 N 0.00 0.00 -2.13 1.57 1.57 -1.11 -3.39 116.57 113.07 1faw h LYS 76 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1faw h LYS 76 Cb 0.63 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.53 1faw h LYS 76 CO 0.00 0.19 -0.92 0.09 -0.57 0.00 0.00 179.45 178.25 1faw n ASN 77 N -2.84 2.48 -0.25 0.86 4.13 -1.12 -4.94 115.26 113.57 1faw n ASN 77 Ca -0.05 -3.29 0.17 0.00 1.68 0.00 0.00 54.58 53.08 1faw n ASN 77 Cb 0.73 -0.60 0.46 0.00 -1.54 0.00 0.00 39.78 38.83 1faw n ASN 77 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1faw h LEU 78 N 3.18 0.49 -0.23 3.41 3.38 -1.72 0.13 115.31 123.96 1faw h LEU 78 Ca 0.12 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1faw h LEU 78 Cb 0.75 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1faw h LEU 78 CO 0.65 0.21 -0.15 0.47 0.09 0.00 0.00 178.44 179.72 1faw n ASP 79 N -4.54 0.50 -1.68 -0.43 8.00 -1.26 -3.95 116.55 113.18 1faw n ASP 79 Ca 0.19 -0.51 -0.08 0.00 0.71 0.00 0.00 54.79 55.09 1faw n ASP 79 Cb 0.63 -0.06 0.08 0.00 -0.02 0.00 0.00 41.12 41.75 1faw n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1faw n ASN 80 N -0.99 3.01 -0.17 -2.24 5.15 0.45 -4.84 115.26 115.62 1faw n ASN 80 Ca 0.13 -3.32 -0.11 0.00 -0.60 0.00 0.00 54.58 50.68 1faw n ASN 80 Cb 0.29 -0.41 0.00 0.00 -0.53 0.00 0.00 39.78 39.13 1faw n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1faw h ILE 81 N 2.93 1.27 -0.82 -1.44 2.04 -1.63 -2.60 117.51 117.26 1faw h ILE 81 Ca 0.11 -1.33 0.14 0.00 1.00 0.00 0.00 64.86 64.78 1faw h ILE 81 Cb 1.38 1.07 -0.09 0.00 -0.74 0.00 0.00 36.82 38.43 1faw h ILE 81 CO 0.37 0.46 0.40 0.50 0.00 0.00 0.00 178.15 179.89 1faw h LYS 82 N 0.87 0.56 0.08 2.37 3.64 -1.91 -2.73 116.57 119.45 1faw h LYS 82 Ca 0.12 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.34 1faw h LYS 82 Cb 0.75 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1faw h LYS 82 CO 0.06 0.37 -0.59 -0.91 -2.27 0.00 0.00 179.45 176.11 1faw h ASN 83 N 0.58 0.25 -1.06 4.20 4.21 -1.95 -3.23 115.58 118.59 1faw h ASN 83 Ca 0.45 -0.94 0.31 0.00 1.21 0.00 0.00 56.30 57.34 1faw h ASN 83 Cb 0.64 -0.08 -0.13 0.00 -1.12 0.00 0.00 38.32 37.63 1faw h ASN 83 CO -0.37 1.27 0.64 0.74 -1.29 0.00 0.00 177.43 178.42 1faw h THR 84 N -0.64 0.36 -0.51 2.81 2.02 -1.34 -0.10 112.91 115.51 1faw h THR 84 Ca -0.12 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1faw h THR 84 Cb 1.39 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1faw h THR 84 CO 0.06 0.06 0.00 0.49 0.37 0.00 0.00 175.52 176.51 1faw n PHE 85 N -4.88 1.85 0.07 3.16 3.01 -1.04 -4.63 117.46 115.01 1faw n PHE 85 Ca 0.30 -0.77 -0.13 0.00 1.01 0.00 0.00 57.45 57.86 1faw n PHE 85 Cb 0.99 -0.48 -0.08 0.00 -0.01 0.00 0.00 39.48 39.90 1faw n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1faw h ALA 86 N 3.50 -0.12 -0.19 4.37 0.00 -1.02 -1.87 119.26 123.93 1faw h ALA 86 Ca 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1faw h ALA 86 Cb 1.88 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 1faw h ALA 86 CO 0.44 -0.52 -0.14 1.96 0.00 0.00 0.00 179.25 180.99 1faw h GLN 87 N -0.23 0.31 0.00 0.00 4.20 -1.82 -2.10 115.11 115.47 1faw h GLN 87 Ca -0.01 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 1faw h GLN 87 Cb 0.19 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1faw h GLN 87 CO 0.02 0.46 -0.34 -0.07 -0.67 0.00 0.00 178.83 178.23 1faw h LEU 88 N 0.29 0.00 -0.97 1.46 3.38 -1.84 -2.64 115.31 114.99 1faw h LEU 88 Ca 0.06 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1faw h LEU 88 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1faw h LEU 88 CO 0.03 0.34 -0.42 -1.28 0.09 0.00 0.00 178.44 177.20 1faw h SER 89 N 0.00 0.20 -0.20 -0.43 0.87 -0.62 -1.76 113.55 111.62 1faw h SER 89 Ca -0.00 -0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.35 1faw h SER 89 Cb 0.86 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1faw h SER 89 CO 0.04 0.60 -0.36 -0.33 -0.53 0.00 0.00 176.83 176.26 1faw h GLU 90 N 0.16 0.59 -0.14 2.24 5.08 -1.37 -2.37 114.58 118.78 1faw h GLU 90 Ca 0.01 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1faw h GLU 90 Cb 0.81 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1faw h GLU 90 CO 0.06 0.99 0.04 1.25 -1.00 0.00 0.00 179.01 180.35 1faw h LEU 91 N 0.27 0.21 -0.42 1.33 5.85 -1.35 0.35 115.31 121.55 1faw h LEU 91 Ca 0.01 -0.23 -0.16 0.00 0.84 0.00 0.00 57.88 58.34 1faw h LEU 91 Cb 0.96 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 1faw h LEU 91 CO 0.08 0.38 -0.45 0.45 -0.34 0.00 0.00 178.44 178.56 1faw h HIS 92 N 0.03 1.01 0.00 1.25 3.86 -1.41 0.29 115.15 120.18 1faw h HIS 92 Ca 0.04 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1faw h HIS 92 Cb 0.25 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1faw h HIS 92 CO 0.01 1.13 -0.04 0.00 0.86 0.00 0.00 177.93 179.88 1faw h ASP 94 N -0.18 0.85 0.00 0.00 3.45 -1.13 -2.34 116.42 117.07 1faw h ASP 94 Ca 0.00 -0.40 0.00 0.00 0.43 0.00 0.00 57.03 57.06 1faw h ASP 94 Cb 0.04 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 38.57 1faw h ASP 94 CO 0.00 1.15 -0.06 0.11 -1.57 0.00 0.00 179.24 178.87 1faw h LYS 95 N 0.64 0.00 0.00 3.56 6.56 -1.11 -3.41 116.57 122.81 1faw h LYS 95 Ca 0.05 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.50 1faw h LYS 95 Cb 0.98 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.62 1faw h LYS 95 CO 0.09 0.00 -0.67 -0.07 -2.06 0.00 0.00 179.45 176.74 1faw h LEU 96 N -0.42 0.00 -1.33 2.94 -0.00 -0.55 -3.49 115.31 112.47 1faw h LEU 96 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.66 1faw h LEU 96 Cb 0.06 0.00 0.09 0.00 -0.00 0.00 0.00 40.66 40.82 1faw h LEU 96 CO 0.00 0.67 -0.43 1.41 -0.00 0.00 0.00 178.44 180.09 1faw n HIS 97 N -3.40 -1.53 -2.87 1.13 8.25 -0.30 -4.99 115.22 111.52 1faw n HIS 97 Ca 0.00 0.58 -0.40 0.00 -0.26 0.00 0.00 57.72 57.65 1faw n HIS 97 Cb 0.75 -3.62 -0.06 0.00 1.12 0.00 0.00 29.99 28.19 1faw n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1faw s VAL 98 N -3.20 4.27 -0.04 1.59 1.01 0.18 -5.00 120.40 119.20 1faw s VAL 98 Ca 0.18 1.88 -0.27 0.00 0.00 0.00 0.00 61.98 63.78 1faw s VAL 98 Cb -0.08 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1faw s VAL 98 CO 0.43 0.50 0.85 -0.62 0.00 0.00 0.00 175.10 176.26 1faw s ASP 99 N -1.05 7.18 0.63 3.32 2.15 -1.26 -4.72 116.67 122.93 1faw s ASP 99 Ca 0.39 1.42 0.23 0.00 0.43 0.00 0.00 52.55 55.02 1faw s ASP 99 Cb -0.24 -2.50 1.16 0.00 -0.30 0.00 0.00 42.92 41.04 1faw s ASP 99 CO 0.29 -0.22 1.64 -0.65 -0.17 0.00 0.00 175.17 176.06 1faw h PRO 100 N 6.83 0.00 0.00 4.34 0.11 -1.97 0.40 132.00 141.71 1faw h PRO 100 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1faw h PRO 100 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1faw h PRO 100 CO 0.76 0.00 0.00 1.49 -0.21 0.00 0.00 178.00 180.04 1faw h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -1.99 -1.91 114.58 116.29 1faw h GLU 101 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1faw h GLU 101 Cb 1.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.02 1faw h GLU 101 CO -0.00 0.00 -0.70 -0.91 -1.18 0.00 0.00 179.01 176.22 1faw h ASN 102 N 0.00 0.00 0.26 1.04 -0.26 -0.57 -2.81 115.58 113.23 1faw h ASN 102 Ca 0.00 -0.16 -0.20 0.00 -0.56 0.00 0.00 56.30 55.38 1faw h ASN 102 Cb 0.39 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1faw h ASN 102 CO 0.00 0.08 -0.81 -0.26 -1.06 0.00 0.00 177.43 175.38 1faw h PHE 103 N 0.00 0.61 -0.35 1.19 0.04 -1.45 -2.81 116.94 114.16 1faw h PHE 103 Ca 0.00 -0.29 -0.12 0.00 2.80 0.00 0.00 57.97 60.36 1faw h PHE 103 Cb 0.82 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 1faw h PHE 103 CO 0.00 1.08 -0.25 -0.09 -0.60 0.00 0.00 178.31 178.44 1faw h ARG 104 N 0.28 0.72 -0.38 1.51 1.12 -1.46 -2.71 114.38 113.46 1faw h ARG 104 Ca -0.05 -0.30 -0.08 0.00 -1.11 0.00 0.00 59.98 58.45 1faw h ARG 104 Cb 1.41 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.33 1faw h ARG 104 CO 0.14 0.90 -0.06 -0.07 -3.11 0.00 0.00 179.97 177.77 1faw h LEU 105 N 0.62 0.71 -0.80 3.80 3.38 -1.44 -2.34 115.31 119.25 1faw h LEU 105 Ca 0.08 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1faw h LEU 105 Cb 0.76 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1faw h LEU 105 CO 0.06 0.89 0.37 0.25 0.09 0.00 0.00 178.44 180.10 1faw h LEU 106 N 0.52 1.06 -0.93 1.67 5.85 -1.42 -1.64 115.31 120.42 1faw h LEU 106 Ca 0.10 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1faw h LEU 106 Cb 0.56 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1faw h LEU 106 CO 0.03 0.91 0.27 1.23 -0.34 0.00 0.00 178.44 180.53 1faw h GLY 107 N 1.14 1.12 1.75 3.75 0.00 -1.39 -0.38 103.07 109.05 1faw h GLY 107 Ca 0.27 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 1faw h GLY 107 CO -0.03 0.57 -0.26 -0.55 0.00 0.00 0.00 176.54 176.27 1faw h ASP 108 N 1.02 0.29 -0.04 0.19 3.45 -0.94 -1.72 116.42 118.68 1faw h ASP 108 Ca 0.23 -0.09 -0.25 0.00 0.43 0.00 0.00 57.03 57.36 1faw h ASP 108 Cb 0.21 -0.08 0.02 0.00 -0.56 0.00 0.00 39.33 38.92 1faw h ASP 108 CO -0.02 0.55 -0.94 0.40 -1.57 0.00 0.00 179.24 177.66 1faw h ILE 109 N 0.27 1.29 -0.56 0.35 2.04 -0.74 -2.71 117.51 117.44 1faw h ILE 109 Ca 0.04 -2.16 0.09 0.00 1.00 0.00 0.00 64.86 63.83 1faw h ILE 109 Cb 0.60 2.30 -0.07 0.00 -0.74 0.00 0.00 36.82 38.91 1faw h ILE 109 CO 0.04 0.67 0.19 0.25 0.00 0.00 0.00 178.15 179.31 1faw h LEU 110 N 0.39 0.18 -0.65 1.44 5.85 -0.84 0.16 115.31 121.84 1faw h LEU 110 Ca -0.11 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1faw h LEU 110 Cb 1.60 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.64 1faw h LEU 110 CO 0.19 0.12 0.37 0.40 -0.34 0.00 0.00 178.44 179.18 1faw h ILE 111 N 0.37 1.00 -0.36 4.05 1.08 -1.27 0.13 117.51 122.50 1faw h ILE 111 Ca 0.28 -0.24 -0.09 0.00 -0.39 0.00 0.00 64.86 64.41 1faw h ILE 111 Cb 0.34 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 1faw h ILE 111 CO -0.29 0.13 -0.17 0.40 -0.69 0.00 0.00 178.15 177.53 1faw h ILE 112 N 0.70 1.26 -0.30 -0.67 2.04 -0.78 -1.13 117.51 118.64 1faw h ILE 112 Ca 0.28 -1.21 -0.06 0.00 1.00 0.00 0.00 64.86 64.87 1faw h ILE 112 Cb 0.13 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1faw h ILE 112 CO -0.16 0.40 -0.06 0.58 0.00 0.00 0.00 178.15 178.91 1faw h VAL 113 N 0.60 1.28 -0.71 1.67 2.07 0.13 -2.32 116.25 118.97 1faw h VAL 113 Ca 0.10 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1faw h VAL 113 Cb 0.62 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1faw h VAL 113 CO 0.04 0.35 0.43 -0.07 0.02 0.00 0.00 177.57 178.34 1faw h LEU 114 N 0.34 0.85 -1.15 2.57 3.38 -0.63 -2.14 115.31 118.53 1faw h LEU 114 Ca 0.08 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1faw h LEU 114 Cb 0.54 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 1faw h LEU 114 CO 0.03 0.66 0.59 0.00 0.09 0.00 0.00 178.44 179.80 1faw h ALA 115 N 1.23 1.51 0.00 1.53 0.00 -1.03 -1.49 119.26 121.00 1faw h ALA 115 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1faw h ALA 115 Cb -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1faw h ALA 115 CO -0.05 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1faw h ALA 116 N 1.51 1.00 0.00 0.00 0.00 -0.84 -1.97 119.26 118.96 1faw h ALA 116 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1faw h ALA 116 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1faw h ALA 116 CO -0.14 0.00 -1.26 0.72 0.00 0.00 0.00 179.25 178.57 1faw n HIS 117 N -2.36 0.16 0.05 0.00 -0.00 -0.63 -4.48 115.22 107.95 1faw n HIS 117 Ca 0.05 0.05 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 1faw n HIS 117 Cb 0.41 -0.36 -0.00 0.00 -0.00 0.00 0.00 29.99 30.04 1faw n HIS 117 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1faw n PHE 118 N -1.95 0.00 -1.32 4.41 3.72 -0.78 -5.10 117.46 116.44 1faw n PHE 118 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1faw n PHE 118 Cb 0.45 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 1faw n PHE 118 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1faw n ALA 119 N -0.96 0.00 0.22 4.37 0.00 -0.74 -1.81 120.51 121.59 1faw n ALA 119 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1faw n ALA 119 Cb 0.02 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.11 1faw n ALA 119 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1faw h LYS 120 N 0.00 0.00 0.00 0.00 1.57 -1.99 -0.53 116.57 115.62 1faw h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1faw h LYS 120 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1faw h LYS 120 CO 0.00 0.00 0.00 1.49 -0.57 0.00 0.00 179.45 180.37 1faw h GLU 121 N 0.00 0.00 -3.80 3.15 4.81 -1.75 -3.28 114.58 113.71 1faw h GLU 121 Ca 0.00 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.47 1faw h GLU 121 Cb 0.08 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 29.27 1faw h GLU 121 CO 0.00 0.00 1.57 0.34 -0.73 0.00 0.00 179.01 180.19 1faw n PHE 122 N -2.52 3.61 -1.54 0.92 7.35 -0.21 -4.99 117.46 120.09 1faw n PHE 122 Ca 0.01 -3.01 -0.33 0.00 -0.76 0.00 0.00 57.45 53.37 1faw n PHE 122 Cb 0.23 -1.91 0.07 0.00 0.35 0.00 0.00 39.48 38.22 1faw n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1faw s THR 123 N 0.20 3.03 0.32 -2.13 -4.23 -1.24 -4.71 115.64 106.89 1faw s THR 123 Ca 0.39 0.44 0.08 0.00 -1.18 0.00 0.00 61.69 61.43 1faw s THR 123 Cb 0.04 -2.93 0.32 0.00 1.34 0.00 0.00 72.50 71.26 1faw s THR 123 CO 0.01 -0.33 1.78 -0.65 -0.54 0.00 0.00 174.62 174.89 1faw h PRO 124 N -0.38 0.66 -0.16 3.99 0.11 -1.95 0.51 132.00 134.80 1faw h PRO 124 Ca -0.46 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1faw h PRO 124 Cb 1.25 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1faw h PRO 124 CO 0.52 0.44 -0.23 1.05 -0.21 0.00 0.00 178.00 179.57 1faw h GLU 125 N 0.68 0.27 -0.18 1.05 9.09 -1.99 -1.23 114.58 122.28 1faw h GLU 125 Ca 0.58 -0.09 -0.08 0.00 0.05 0.00 0.00 59.36 59.82 1faw h GLU 125 Cb 1.01 -0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 28.08 1faw h GLU 125 CO -0.36 0.50 -0.20 0.00 0.05 0.00 0.00 179.01 178.99 1faw h GLN 127 N 0.10 0.25 -0.32 0.00 4.15 -0.54 -0.59 115.11 118.15 1faw h GLN 127 Ca 0.03 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 1faw h GLN 127 Cb 0.74 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.36 1faw h GLN 127 CO 0.05 0.16 0.06 0.00 -1.93 0.00 0.00 178.83 177.17 1faw h ALA 128 N 1.29 1.50 -0.34 3.38 0.00 -1.11 0.26 119.26 124.26 1faw h ALA 128 Ca 0.20 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1faw h ALA 128 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1faw h ALA 128 CO -0.23 0.37 -0.32 0.00 0.00 0.00 0.00 179.25 179.07 1faw h ALA 129 N 1.60 0.81 0.10 0.00 0.00 0.02 -2.93 119.26 118.87 1faw h ALA 129 Ca 0.11 -0.41 -0.28 0.00 0.00 0.00 0.00 54.91 54.33 1faw h ALA 129 Cb 0.21 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1faw h ALA 129 CO -0.00 0.64 -1.19 -1.49 0.00 0.00 0.00 179.25 177.21 1faw h TRP 130 N 0.62 0.77 -0.32 0.00 4.06 -0.23 -2.83 115.95 118.02 1faw h TRP 130 Ca 0.07 -0.49 0.07 0.00 2.06 0.00 0.00 58.89 60.60 1faw h TRP 130 Cb 0.84 -0.06 -0.07 0.00 -1.00 0.00 0.00 29.16 28.87 1faw h TRP 130 CO 0.04 1.35 -0.14 1.96 -3.56 0.00 0.00 178.44 178.09 1faw h GLN 131 N 0.20 -0.08 -0.42 0.49 1.08 -0.51 0.15 115.11 116.01 1faw h GLN 131 Ca -0.15 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.13 1faw h GLN 131 Cb 1.87 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 29.25 1faw h GLN 131 CO 0.21 -0.05 0.01 -0.22 -0.95 0.00 0.00 178.83 177.83 1faw h LYS 132 N -0.08 0.11 0.40 1.46 3.64 -1.56 0.88 116.57 121.42 1faw h LYS 132 Ca 0.16 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1faw h LYS 132 Cb 0.33 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1faw h LYS 132 CO -0.37 0.08 -0.27 1.25 -2.27 0.00 0.00 179.45 177.87 1faw h LEU 133 N 0.12 -0.67 -1.70 5.20 5.85 -0.99 -0.96 115.31 122.15 1faw h LEU 133 Ca 0.21 0.05 0.23 0.00 0.84 0.00 0.00 57.88 59.20 1faw h LEU 133 Cb 0.30 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1faw h LEU 133 CO -0.34 -0.41 0.61 0.58 -0.34 0.00 0.00 178.44 178.53 1faw h VAL 134 N -0.64 0.62 0.37 1.05 2.07 -0.26 -1.09 116.25 118.37 1faw h VAL 134 Ca -0.04 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1faw h VAL 134 Cb 0.54 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1faw h VAL 134 CO 0.03 0.04 -0.18 0.03 0.02 0.00 0.00 177.57 177.51 1faw h ARG 135 N 0.24 -0.48 -0.72 1.57 -0.00 -0.05 -2.65 114.38 112.30 1faw h ARG 135 Ca 0.45 0.03 0.11 0.00 -0.50 0.00 0.00 59.98 60.07 1faw h ARG 135 Cb 1.39 0.11 -0.05 0.00 0.00 0.00 0.00 29.97 31.42 1faw h ARG 135 CO -0.12 -0.28 0.47 -0.39 0.00 0.00 0.00 179.97 179.66 1faw h VAL 136 N -1.11 0.90 -0.59 2.04 -1.51 -0.73 0.15 116.25 115.41 1faw h VAL 136 Ca -0.05 -0.19 -0.09 0.00 -1.23 0.00 0.00 66.70 65.13 1faw h VAL 136 Cb 0.42 0.29 -0.02 0.00 -2.13 0.00 0.00 31.29 29.85 1faw h VAL 136 CO 0.08 0.10 0.00 0.58 -1.23 0.00 0.00 177.57 177.11 1faw h VAL 137 N 0.56 1.26 -0.64 7.19 2.07 -1.29 0.19 116.25 125.59 1faw h VAL 137 Ca 0.33 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 1faw h VAL 137 Cb 0.55 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1faw h VAL 137 CO -0.11 0.41 0.15 0.00 0.02 0.00 0.00 177.57 178.04 1faw h ALA 138 N 1.05 1.06 -0.10 1.67 0.00 -0.39 -1.30 119.26 121.26 1faw h ALA 138 Ca 0.17 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 1faw h ALA 138 Cb 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1faw h ALA 138 CO 0.03 0.62 -0.78 0.45 0.00 0.00 0.00 179.25 179.57 1faw h HIS 139 N 0.96 0.78 -0.34 0.00 3.86 -0.82 -1.91 115.15 117.67 1faw h HIS 139 Ca 0.20 -0.35 0.03 0.00 -1.16 0.00 0.00 60.37 59.09 1faw h HIS 139 Cb 0.35 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 1faw h HIS 139 CO 0.02 1.15 0.23 0.00 0.86 0.00 0.00 177.93 180.19 1faw h ALA 140 N 0.75 1.90 0.25 2.45 0.00 -0.17 -1.44 119.26 123.00 1faw h ALA 140 Ca -0.05 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.51 1faw h ALA 140 Cb 1.38 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 19.12 1faw h ALA 140 CO 0.15 0.05 -1.48 -0.07 0.00 0.00 0.00 179.25 177.90 1faw h LEU 141 N 0.34 0.83 -2.44 0.00 3.38 -1.12 -3.26 115.31 113.03 1faw h LEU 141 Ca 0.14 -0.89 -0.12 0.00 0.09 0.00 0.00 57.88 57.11 1faw h LEU 141 Cb 0.15 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 1faw h LEU 141 CO -0.03 1.70 0.15 0.00 0.09 0.00 0.00 178.44 180.34 1faw n ALA 142 N -2.71 3.42 -0.04 1.53 0.00 -0.73 -4.09 120.51 117.89 1faw n ALA 142 Ca -0.17 -0.95 -0.14 0.00 0.00 0.00 0.00 53.44 52.18 1faw n ALA 142 Cb 1.10 -1.12 -0.09 0.00 0.00 0.00 0.00 19.45 19.34 1faw n ALA 142 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1faw h ARG 143 N 0.86 0.28 -2.63 0.00 0.11 -1.34 -3.33 114.38 108.33 1faw h ARG 143 Ca 0.14 -0.19 -0.06 0.00 0.10 0.00 0.00 59.98 59.97 1faw h ARG 143 Cb 1.45 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 32.54 1faw h ARG 143 CO 0.33 0.81 0.20 1.17 0.10 0.00 0.00 179.97 182.57 1faw n LYS 144 N -4.53 0.64 0.00 0.08 4.81 -1.26 -3.56 118.16 114.34 1faw n LYS 144 Ca -0.08 -0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.05 1faw n LYS 144 Cb 0.42 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.83 1faw n LYS 144 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1faw n TYR 145 N 2.78 0.00 0.10 5.64 4.01 -1.25 -4.82 117.16 123.61 1faw n TYR 145 Ca 0.13 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.88 1faw n TYR 145 Cb 0.29 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.33 1faw n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12