#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1faw s LEU 2 N 0.00 3.26 0.66 1.34 2.01 -1.26 -4.99 118.68 119.70 1faw s LEU 2 Ca 0.00 -0.43 -0.15 0.00 0.01 0.00 0.00 54.13 53.56 1faw s LEU 2 Cb 0.00 -2.55 -0.00 0.00 0.01 0.00 0.00 46.19 43.65 1faw s LEU 2 CO 0.00 -2.04 1.11 -0.94 1.01 0.00 0.00 176.35 175.50 1faw s SER 3 N 5.68 5.10 0.49 2.29 1.04 -1.26 -4.69 113.70 122.34 1faw s SER 3 Ca 0.50 2.01 0.27 0.00 0.48 0.00 0.00 55.95 59.22 1faw s SER 3 Cb -0.08 -2.55 1.35 0.00 0.10 0.00 0.00 66.02 64.84 1faw s SER 3 CO 0.10 -1.64 1.85 0.00 0.98 0.00 0.00 173.24 174.53 1faw h ALA 4 N 0.05 2.66 -0.07 5.32 0.00 -1.99 0.61 119.26 125.84 1faw h ALA 4 Ca -0.47 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1faw h ALA 4 Cb 1.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1faw h ALA 4 CO 0.54 -0.96 -0.13 0.00 0.00 0.00 0.00 179.25 178.70 1faw h ALA 5 N 1.55 0.11 -0.47 0.00 0.00 -2.00 -2.78 119.26 115.67 1faw h ALA 5 Ca 0.49 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1faw h ALA 5 Cb 1.66 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 1faw h ALA 5 CO -0.09 -0.01 0.21 -0.44 0.00 0.00 0.00 179.25 178.92 1faw h ASP 6 N -0.26 0.28 -0.50 0.00 3.32 -0.26 -1.23 116.42 117.76 1faw h ASP 6 Ca 0.00 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.14 1faw h ASP 6 Cb 0.69 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 1faw h ASP 6 CO 0.03 0.20 0.34 0.11 -1.72 0.00 0.00 179.24 178.19 1faw h LYS 7 N 0.42 0.48 -0.16 3.56 1.57 -0.68 -1.73 116.57 120.03 1faw h LYS 7 Ca 0.21 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1faw h LYS 7 Cb 0.16 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1faw h LYS 7 CO -0.18 0.32 -0.07 1.15 -0.57 0.00 0.00 179.45 180.10 1faw h THR 8 N 0.50 1.31 -0.32 -0.16 2.02 -0.96 -2.54 112.91 112.77 1faw h THR 8 Ca 0.21 -1.11 0.01 0.00 0.77 0.00 0.00 66.41 66.30 1faw h THR 8 Cb 0.21 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1faw h THR 8 CO -0.06 0.33 0.18 0.78 0.37 0.00 0.00 175.52 177.12 1faw h ASN 9 N -0.00 0.29 0.24 4.18 2.35 -0.70 -0.03 115.58 121.92 1faw h ASN 9 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1faw h ASN 9 Cb 0.54 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1faw h ASN 9 CO 0.02 0.21 -0.21 0.58 -1.65 0.00 0.00 177.43 176.38 1faw h VAL 10 N 0.37 0.54 -0.93 2.81 2.07 -1.36 -1.18 116.25 118.56 1faw h VAL 10 Ca 0.12 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.72 1faw h VAL 10 Cb 0.01 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 1faw h VAL 10 CO -0.06 0.00 0.60 0.11 0.02 0.00 0.00 177.57 178.24 1faw h LYS 11 N -0.48 0.99 0.42 1.57 1.57 -1.30 -1.08 116.57 118.26 1faw h LYS 11 Ca -0.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1faw h LYS 11 Cb 0.43 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1faw h LYS 11 CO -0.03 0.66 -0.25 0.78 -0.57 0.00 0.00 179.45 180.04 1faw h GLY 12 N 1.02 -0.66 2.00 3.86 0.00 -0.30 -2.05 103.07 106.94 1faw h GLY 12 Ca 0.41 0.28 -0.02 0.00 0.00 0.00 0.00 47.33 48.00 1faw h GLY 12 CO -0.17 -0.25 -0.09 -0.24 0.00 0.00 0.00 176.54 175.79 1faw h VAL 13 N -0.63 0.32 0.00 4.60 3.04 -0.91 -2.32 116.25 120.36 1faw h VAL 13 Ca -0.05 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 1faw h VAL 13 Cb 0.52 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 1faw h VAL 13 CO 0.05 0.08 -0.15 -0.26 -1.01 0.00 0.00 177.57 176.28 1faw h PHE 14 N 0.00 0.00 0.00 3.17 0.04 -0.83 -3.03 116.94 116.28 1faw h PHE 14 Ca -0.00 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.65 1faw h PHE 14 Cb 0.39 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 1faw h PHE 14 CO 0.00 0.00 -1.09 0.77 -0.60 0.00 0.00 178.31 177.39 1faw h SER 15 N 0.00 0.00 1.16 2.17 0.02 -0.81 -1.50 113.55 114.59 1faw h SER 15 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1faw h SER 15 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1faw h SER 15 CO 0.00 0.42 -0.33 1.17 -1.14 0.00 0.00 176.83 176.95 1faw n LYS 16 N -2.92 0.29 -0.09 3.45 4.81 -1.13 -3.77 118.16 118.79 1faw n LYS 16 Ca -0.05 0.15 -0.14 0.00 -0.87 0.00 0.00 58.31 57.40 1faw n LYS 16 Cb 0.75 -1.75 -0.07 0.00 0.02 0.00 0.00 35.03 33.98 1faw n LYS 16 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1faw h ILE 17 N 0.00 0.56 0.00 3.15 2.04 -1.54 -3.47 117.51 118.24 1faw h ILE 17 Ca 0.00 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.17 1faw h ILE 17 Cb 0.75 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1faw h ILE 17 CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 178.15 178.95 1faw n GLY 18 N 1.52 1.29 0.37 5.37 0.00 -0.57 -1.41 105.19 111.76 1faw n GLY 18 Ca -0.21 0.59 0.12 0.00 0.00 0.00 0.00 46.02 46.52 1faw n GLY 18 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1faw h GLY 19 N 0.00 1.50 2.00 -0.02 0.00 -1.91 -1.94 103.07 102.70 1faw h GLY 19 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1faw h GLY 19 CO 0.00 0.05 0.00 1.42 0.00 0.00 0.00 176.54 178.01 1faw n HIS 20 N -4.64 0.02 -0.29 5.60 -0.00 -0.50 -4.05 115.22 111.35 1faw n HIS 20 Ca 0.20 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.93 1faw n HIS 20 Cb 0.49 -0.51 0.04 0.00 -0.00 0.00 0.00 29.99 30.02 1faw n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1faw n ALA 21 N -1.51 -0.05 0.04 -1.41 0.00 -0.73 -0.14 120.51 116.72 1faw n ALA 21 Ca 0.04 0.77 -0.11 0.00 0.00 0.00 0.00 53.44 54.15 1faw n ALA 21 Cb 0.21 -0.37 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 1faw n ALA 21 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1faw h GLU 22 N 0.00 -0.11 -0.83 0.00 5.08 -1.84 0.31 114.58 117.19 1faw h GLU 22 Ca 0.28 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.72 1faw h GLU 22 Cb 0.47 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.68 1faw h GLU 22 CO -0.76 -0.07 0.51 0.93 -1.00 0.00 0.00 179.01 178.61 1faw h GLU 23 N -0.12 0.89 -0.26 2.33 5.08 -0.81 -1.60 114.58 120.08 1faw h GLU 23 Ca 0.04 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1faw h GLU 23 Cb 0.16 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1faw h GLU 23 CO -0.09 0.59 -0.21 1.88 -1.00 0.00 0.00 179.01 180.17 1faw h TYR 24 N 0.91 0.52 0.00 4.33 0.99 -0.67 -1.76 116.97 121.29 1faw h TYR 24 Ca 0.37 -0.10 -0.07 0.00 2.00 0.00 0.00 58.73 60.93 1faw h TYR 24 Cb 0.21 -0.13 -0.01 0.00 1.00 0.00 0.00 36.73 37.80 1faw h TYR 24 CO -0.04 0.66 -0.32 0.78 -0.00 0.00 0.00 178.16 179.23 1faw h GLY 25 N 0.99 0.00 1.46 3.88 0.00 0.03 -1.00 103.07 108.42 1faw h GLY 25 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.12 1faw h GLY 25 CO 0.04 0.00 -1.37 0.00 0.00 0.00 0.00 176.54 175.21 1faw h ALA 26 N 1.68 0.24 -0.33 3.60 0.00 -1.00 -2.99 119.26 120.46 1faw h ALA 26 Ca -0.00 -1.02 -0.16 0.00 0.00 0.00 0.00 54.91 53.72 1faw h ALA 26 Cb 0.59 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1faw h ALA 26 CO 0.04 1.11 -0.43 1.49 0.00 0.00 0.00 179.25 181.46 1faw h GLU 27 N 0.06 0.84 -0.78 0.00 4.81 -1.18 -1.76 114.58 116.56 1faw h GLU 27 Ca -0.18 -0.46 -0.05 0.00 -0.13 0.00 0.00 59.36 58.54 1faw h GLU 27 Cb 1.97 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 31.34 1faw h GLU 27 CO 0.17 1.10 0.29 1.79 -0.73 0.00 0.00 179.01 181.63 1faw h THR 28 N 0.67 1.26 -0.15 0.32 1.35 -1.26 -1.46 112.91 113.65 1faw h THR 28 Ca 0.05 -0.86 -0.11 0.00 -0.55 0.00 0.00 66.41 64.93 1faw h THR 28 Cb 1.01 0.35 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 1faw h THR 28 CO 0.10 0.35 -0.41 -0.07 -0.25 0.00 0.00 175.52 175.24 1faw h LEU 29 N 1.15 0.35 -0.54 3.87 3.38 -1.39 -2.01 115.31 120.12 1faw h LEU 29 Ca 0.26 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 1faw h LEU 29 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1faw h LEU 29 CO -0.02 0.72 -0.53 -0.33 0.09 0.00 0.00 178.44 178.37 1faw h GLU 30 N 0.28 0.54 -0.12 1.13 5.08 -0.87 -2.45 114.58 118.18 1faw h GLU 30 Ca 0.03 -0.34 -0.17 0.00 -1.00 0.00 0.00 59.36 57.88 1faw h GLU 30 Cb 0.84 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1faw h GLU 30 CO 0.07 0.94 -0.64 0.00 -1.00 0.00 0.00 179.01 178.38 1faw h ARG 31 N 0.42 0.45 -0.27 2.33 3.08 -1.18 -2.38 114.38 116.83 1faw h ARG 31 Ca 0.01 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 1faw h ARG 31 Cb 1.07 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1faw h ARG 31 CO 0.10 0.94 0.14 1.98 -1.07 0.00 0.00 179.97 182.05 1faw h MET 32 N 0.33 0.38 0.00 0.04 4.05 -1.23 0.67 114.93 119.16 1faw h MET 32 Ca -0.01 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.32 1faw h MET 32 Cb 1.19 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.91 1faw h MET 32 CO 0.11 0.35 -0.18 0.74 0.23 0.00 0.00 176.91 178.17 1faw h PHE 33 N 0.31 0.00 0.11 1.39 0.04 -1.41 0.27 116.94 117.64 1faw h PHE 33 Ca 0.09 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.53 1faw h PHE 33 Cb 0.09 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 1faw h PHE 33 CO -0.03 0.18 -1.80 1.15 -0.60 0.00 0.00 178.31 177.21 1faw h THR 34 N 0.00 0.73 0.00 -1.55 2.02 -0.86 -3.27 112.91 109.99 1faw h THR 34 Ca -0.00 -2.33 -0.24 0.00 0.77 0.00 0.00 66.41 64.61 1faw h THR 34 Cb 0.49 2.49 -0.04 0.00 -1.74 0.00 0.00 68.15 69.36 1faw h THR 34 CO 0.02 0.78 -1.27 0.00 0.37 0.00 0.00 175.52 175.42 1faw h ALA 35 N -0.04 0.53 -2.16 6.16 0.00 0.33 -3.39 119.26 120.70 1faw h ALA 35 Ca -0.40 -1.12 -0.59 0.00 0.00 0.00 0.00 54.91 52.81 1faw h ALA 35 Cb 1.89 0.11 -0.41 0.00 0.00 0.00 0.00 17.79 19.38 1faw h ALA 35 CO 0.04 1.36 -0.76 0.66 0.00 0.00 0.00 179.25 180.55 1faw n TYR 36 N -3.22 2.32 -0.35 0.00 4.02 0.94 -4.97 117.16 115.89 1faw n TYR 36 Ca -0.07 -3.96 0.27 0.00 -0.01 0.00 0.00 57.90 54.13 1faw n TYR 36 Cb 0.98 -0.48 0.53 0.00 -0.02 0.00 0.00 39.34 40.34 1faw n TYR 36 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1faw h PRO 37 N 4.18 0.24 0.00 -0.72 0.11 -1.70 -0.48 132.00 133.64 1faw h PRO 37 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1faw h PRO 37 Cb 0.74 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1faw h PRO 37 CO 0.71 0.16 0.10 0.00 -0.21 0.00 0.00 178.00 178.76 1faw n GLN 38 N -4.97 0.10 0.12 1.05 0.00 -1.26 -0.87 117.38 111.55 1faw n GLN 38 Ca 0.33 0.58 0.13 0.00 0.00 0.00 0.00 57.00 58.03 1faw n GLN 38 Cb 1.10 -1.93 0.35 0.00 0.00 0.00 0.00 30.24 29.76 1faw n GLN 38 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 1faw h THR 39 N 0.00 0.00 0.00 -0.39 1.35 -1.39 -3.17 112.91 109.31 1faw h THR 39 Ca 0.00 -0.57 -0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1faw h THR 39 Cb 0.21 1.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1faw h THR 39 CO 0.00 0.00 -0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1faw h LYS 40 N 0.00 0.00 -0.47 4.72 1.57 -1.21 -2.42 116.57 118.77 1faw h LYS 40 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1faw h LYS 40 Cb 0.78 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1faw h LYS 40 CO 0.00 0.00 0.32 1.15 -0.57 0.00 0.00 179.45 180.36 1faw h THR 41 N 0.00 0.85 0.00 -0.16 2.02 -1.74 -1.05 112.91 112.84 1faw h THR 41 Ca -0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1faw h THR 41 Cb 0.24 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1faw h THR 41 CO 0.00 0.03 -0.15 -1.22 0.37 0.00 0.00 175.52 174.55 1faw n TYR 42 N -4.45 0.07 -2.79 3.16 4.01 -0.91 -4.08 117.16 112.17 1faw n TYR 42 Ca 0.07 0.02 -0.26 0.00 -0.16 0.00 0.00 57.90 57.58 1faw n TYR 42 Cb 0.41 -0.46 -0.02 0.00 -0.31 0.00 0.00 39.34 38.95 1faw n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1faw n PHE 43 N -1.56 3.46 0.25 -0.72 3.01 -0.40 -4.84 117.46 116.66 1faw n PHE 43 Ca 0.06 -3.65 0.11 0.00 1.01 0.00 0.00 57.45 54.99 1faw n PHE 43 Cb 0.35 -0.34 0.63 0.00 -0.01 0.00 0.00 39.48 40.10 1faw n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1faw h PRO 44 N 2.85 0.00 -0.02 -1.08 0.13 -1.71 -2.64 132.00 129.54 1faw h PRO 44 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1faw h PRO 44 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1faw h PRO 44 CO 0.79 0.17 0.00 -2.39 -0.23 0.00 0.00 178.00 176.34 1faw n HIS 45 N -3.63 0.00 -3.54 1.56 1.44 -1.26 -4.91 115.22 104.89 1faw n HIS 45 Ca -0.01 -0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.48 1faw n HIS 45 Cb 0.30 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.40 1faw n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1faw s PHE 46 N -2.00 3.37 -0.62 -1.40 2.99 -1.00 -5.04 117.98 114.30 1faw s PHE 46 Ca 0.39 0.11 -0.18 0.00 0.00 0.00 0.00 56.93 57.25 1faw s PHE 46 Cb 0.21 -1.86 0.13 0.00 0.00 0.00 0.00 43.02 41.49 1faw s PHE 46 CO 0.34 0.13 0.68 0.34 -0.00 0.00 0.00 175.22 176.71 1faw s ASP 47 N -4.07 6.27 0.00 1.36 3.68 -1.26 -4.93 116.67 117.73 1faw s ASP 47 Ca 0.40 -1.71 0.08 0.00 2.13 0.00 0.00 52.55 53.46 1faw s ASP 47 Cb -0.09 -2.27 0.42 0.00 -1.45 0.00 0.00 42.92 39.52 1faw s ASP 47 CO 0.33 -0.98 1.28 0.18 0.13 0.00 0.00 175.17 176.11 1faw n LEU 48 N 5.78 0.40 -4.78 -1.34 4.77 -1.26 -4.57 117.00 116.00 1faw n LEU 48 Ca -0.07 -0.19 -0.37 0.00 -0.03 0.00 0.00 56.01 55.35 1faw n LEU 48 Cb 0.43 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 1faw n LEU 48 CO 0.54 0.09 0.63 0.00 -1.33 0.00 0.00 177.39 177.32 1faw s GLN 49 N -1.92 4.58 0.05 3.23 -2.07 -1.26 -4.94 119.66 117.33 1faw s GLN 49 Ca 0.14 1.30 -0.37 0.00 -1.82 0.00 0.00 55.36 54.60 1faw s GLN 49 Cb 0.07 -2.85 -0.19 0.00 -1.09 0.00 0.00 33.01 28.95 1faw s GLN 49 CO 0.10 0.31 1.03 1.58 -1.32 0.00 0.00 175.29 177.00 1faw n HIS 50 N 0.66 0.63 0.00 9.60 -0.00 -1.26 -1.96 115.22 122.89 1faw n HIS 50 Ca 0.01 0.97 0.00 0.00 -0.00 0.00 0.00 57.72 58.70 1faw n HIS 50 Cb 0.50 -2.11 0.00 0.00 -0.00 0.00 0.00 29.99 28.38 1faw n HIS 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1faw n GLY 51 N 1.72 2.94 1.66 1.57 0.00 -1.26 -5.04 105.19 106.78 1faw n GLY 51 Ca 0.19 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1faw n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1faw n SER 52 N 0.44 -0.12 0.28 1.61 3.41 -0.83 -4.72 113.62 113.69 1faw n SER 52 Ca 0.00 0.55 0.19 0.00 -0.26 0.00 0.00 58.87 59.35 1faw n SER 52 Cb 0.00 -0.44 0.96 0.00 -0.26 0.00 0.00 64.21 64.47 1faw n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1faw h ALA 53 N 1.24 1.00 0.00 7.33 0.00 -1.92 -2.30 119.26 124.60 1faw h ALA 53 Ca -0.22 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1faw h ALA 53 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1faw h ALA 53 CO 0.30 0.00 -0.19 1.96 0.00 0.00 0.00 179.25 181.32 1faw h GLN 54 N 0.00 0.00 -0.73 0.00 4.20 -1.88 -2.15 115.11 114.55 1faw h GLN 54 Ca 0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 1faw h GLN 54 Cb 0.11 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 1faw h GLN 54 CO 0.00 0.98 0.48 0.82 -0.67 0.00 0.00 178.83 180.44 1faw h ILE 55 N -1.00 0.92 -0.14 2.54 2.04 -1.73 0.47 117.51 120.61 1faw h ILE 55 Ca -0.05 -0.21 -0.16 0.00 1.00 0.00 0.00 64.86 65.44 1faw h ILE 55 Cb 1.03 0.26 0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1faw h ILE 55 CO -0.03 0.11 -0.54 0.11 0.00 0.00 0.00 178.15 177.80 1faw h LYS 56 N 0.60 0.61 -0.88 2.37 1.57 -1.52 0.27 116.57 119.58 1faw h LYS 56 Ca 0.34 -0.47 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1faw h LYS 56 Cb 0.51 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 1faw h LYS 56 CO -0.12 1.09 0.47 0.00 -0.57 0.00 0.00 179.45 180.33 1faw h ALA 57 N 0.52 1.13 -0.05 3.86 0.00 -0.50 -1.91 119.26 122.32 1faw h ALA 57 Ca -0.03 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1faw h ALA 57 Cb 1.17 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1faw h ALA 57 CO 0.11 0.65 -0.58 1.25 0.00 0.00 0.00 179.25 180.68 1faw h HIS 58 N 1.24 0.68 -0.82 0.00 -0.00 -0.11 -3.09 115.15 113.04 1faw h HIS 58 Ca 0.31 -0.33 0.20 0.00 -0.00 0.00 0.00 60.37 60.54 1faw h HIS 58 Cb 0.04 -0.09 -0.05 0.00 -0.00 0.00 0.00 27.41 27.31 1faw h HIS 58 CO 0.01 1.13 0.56 0.78 -0.00 0.00 0.00 177.93 180.41 1faw h GLY 59 N 0.03 0.57 0.77 5.26 0.00 -0.69 0.91 103.07 109.92 1faw h GLY 59 Ca -0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1faw h GLY 59 CO 0.12 0.01 -0.08 1.70 0.00 0.00 0.00 176.54 178.29 1faw h LYS 60 N 0.28 -0.22 -0.35 4.80 3.64 -1.28 -1.99 116.57 121.45 1faw h LYS 60 Ca 0.41 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.88 1faw h LYS 60 Cb 1.18 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.98 1faw h LYS 60 CO -0.11 0.04 -0.13 0.87 -2.27 0.00 0.00 179.45 177.84 1faw h LYS 61 N -0.46 -0.06 -0.18 1.90 1.79 -0.82 0.12 116.57 118.86 1faw h LYS 61 Ca -0.02 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.47 1faw h LYS 61 Cb 0.35 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 1faw h LYS 61 CO 0.04 -0.04 0.06 0.28 -1.08 0.00 0.00 179.45 178.70 1faw h VAL 62 N -0.06 0.95 -0.77 0.50 2.07 -1.10 -1.82 116.25 116.01 1faw h VAL 62 Ca 0.18 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1faw h VAL 62 Cb 0.33 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1faw h VAL 62 CO -0.40 0.03 0.49 0.00 0.02 0.00 0.00 177.57 177.71 1faw h ALA 63 N 1.12 0.98 -0.74 1.67 0.00 -0.76 -2.33 119.26 119.19 1faw h ALA 63 Ca 0.08 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1faw h ALA 63 Cb 0.05 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 1faw h ALA 63 CO -0.09 0.42 0.44 0.00 0.00 0.00 0.00 179.25 180.03 1faw h ALA 64 N 1.27 1.00 -0.58 0.00 0.00 -0.38 0.10 119.26 120.67 1faw h ALA 64 Ca 0.28 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1faw h ALA 64 Cb -0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1faw h ALA 64 CO -0.06 0.17 0.12 0.00 0.00 0.00 0.00 179.25 179.48 1faw h ALA 65 N 1.36 1.11 0.12 0.00 0.00 -0.90 -0.74 119.26 120.21 1faw h ALA 65 Ca 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1faw h ALA 65 Cb 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1faw h ALA 65 CO -0.16 0.59 -0.06 -0.07 0.00 0.00 0.00 179.25 179.55 1faw h LEU 66 N 0.87 -0.14 -2.30 0.00 3.38 -0.82 -0.60 115.31 115.71 1faw h LEU 66 Ca 0.18 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1faw h LEU 66 Cb 0.35 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1faw h LEU 66 CO 0.00 0.14 0.10 0.58 0.09 0.00 0.00 178.44 179.35 1faw h VAL 67 N -0.42 0.56 0.00 1.22 2.07 -0.79 -0.21 116.25 118.69 1faw h VAL 67 Ca -0.02 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 1faw h VAL 67 Cb 0.34 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1faw h VAL 67 CO 0.03 0.00 -1.00 -0.08 0.02 0.00 0.00 177.57 176.53 1faw h GLU 68 N 0.00 0.00 0.00 1.57 4.22 -0.81 -3.17 114.58 116.39 1faw h GLU 68 Ca 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 1faw h GLU 68 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1faw h GLU 68 CO -0.00 0.20 -0.58 0.00 -2.18 0.00 0.00 179.01 176.44 1faw h ALA 69 N 1.68 0.72 -0.02 2.92 0.00 0.25 -3.21 119.26 121.61 1faw h ALA 69 Ca -0.07 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1faw h ALA 69 Cb 1.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1faw h ALA 69 CO 0.03 0.08 -0.75 0.28 0.00 0.00 0.00 179.25 178.89 1faw h VAL 70 N 0.00 1.47 0.00 0.00 2.07 -1.13 -1.17 116.25 117.50 1faw h VAL 70 Ca -0.01 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.12 1faw h VAL 70 Cb 1.05 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1faw h VAL 70 CO 0.01 0.70 0.00 0.59 0.02 0.00 0.00 177.57 178.88 1faw n ASN 71 N -3.72 0.17 -0.91 0.57 3.02 -1.20 -3.10 115.26 110.09 1faw n ASN 71 Ca -0.02 0.52 0.05 0.00 -0.03 0.00 0.00 54.58 55.10 1faw n ASN 71 Cb 0.72 -0.56 0.13 0.00 -0.61 0.00 0.00 39.78 39.46 1faw n ASN 71 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1faw n HIS 72 N -1.66 0.00 0.22 3.10 8.25 -1.13 -4.83 115.22 119.18 1faw n HIS 72 Ca 0.07 -1.07 0.10 0.00 -0.26 0.00 0.00 57.72 56.55 1faw n HIS 72 Cb 0.35 -0.20 0.51 0.00 1.12 0.00 0.00 29.99 31.77 1faw n HIS 72 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1faw h ILE 73 N 3.33 0.00 0.00 1.59 2.10 -1.15 1.28 117.51 124.66 1faw h ILE 73 Ca -0.08 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.86 1faw h ILE 73 Cb 1.34 0.42 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 1faw h ILE 73 CO 0.04 0.00 -0.13 0.44 -1.08 0.00 0.00 178.15 177.41 1faw h ASP 74 N 0.00 0.00 -1.03 2.19 5.19 -1.88 -3.37 116.42 117.52 1faw h ASP 74 Ca 0.00 -0.01 -0.39 0.00 -0.62 0.00 0.00 57.03 56.01 1faw h ASP 74 Cb 0.61 0.00 -0.27 0.00 0.18 0.00 0.00 39.33 39.85 1faw h ASP 74 CO 0.00 0.01 -0.81 -0.67 -3.12 0.00 0.00 179.24 174.64 1faw n ASP 75 N -2.81 -1.24 0.01 6.45 4.64 0.43 -4.97 116.55 119.07 1faw n ASP 75 Ca 0.04 -3.04 -0.05 0.00 -1.38 0.00 0.00 54.79 50.37 1faw n ASP 75 Cb 0.50 0.57 0.17 0.00 -1.04 0.00 0.00 41.12 41.32 1faw n ASP 75 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1faw h ILE 76 N 2.41 1.28 -0.89 5.18 2.04 -1.48 -2.94 117.51 123.10 1faw h ILE 76 Ca -0.03 -1.37 0.09 0.00 1.00 0.00 0.00 64.86 64.55 1faw h ILE 76 Cb 0.96 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 38.40 1faw h ILE 76 CO 0.39 0.43 0.58 0.00 0.00 0.00 0.00 178.15 179.55 1faw h ALA 77 N 1.24 1.61 0.00 1.87 0.00 -1.93 -2.58 119.26 119.47 1faw h ALA 77 Ca 0.06 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 1faw h ALA 77 Cb 0.74 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1faw h ALA 77 CO 0.06 0.21 -1.25 0.78 0.00 0.00 0.00 179.25 179.06 1faw h GLY 78 N 0.91 0.00 -0.05 0.00 0.00 -1.92 -2.31 103.07 99.69 1faw h GLY 78 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1faw h GLY 78 CO -0.17 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.37 1faw n ALA 79 N -2.42 2.51 -1.36 3.60 0.00 -0.99 -3.63 120.51 118.23 1faw n ALA 79 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1faw n ALA 79 Cb 0.95 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1faw n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1faw n LEU 80 N -0.43 0.00 -0.37 0.00 4.77 -1.11 -4.81 117.00 115.05 1faw n LEU 80 Ca 0.03 0.00 0.34 0.00 -0.03 0.00 0.00 56.01 56.36 1faw n LEU 80 Cb 0.04 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 41.83 1faw n LEU 80 CO 0.02 0.09 1.31 0.77 -1.33 0.00 0.00 177.39 178.26 1faw h SER 81 N 0.00 0.12 -0.49 -1.43 4.64 -1.48 0.14 113.55 115.05 1faw h SER 81 Ca 0.00 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 1faw h SER 81 Cb 0.48 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 1faw h SER 81 CO 0.00 0.00 0.18 0.07 -0.87 0.00 0.00 176.83 176.21 1faw h LYS 82 N 0.09 0.75 0.00 4.77 2.10 -1.88 -2.80 116.57 119.60 1faw h LYS 82 Ca 0.63 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 1faw h LYS 82 Cb 2.28 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 33.49 1faw h LYS 82 CO -0.11 0.69 0.00 -0.07 -2.00 0.00 0.00 179.45 177.96 1faw h LEU 83 N 0.66 0.00 -0.02 7.07 3.38 -1.10 -3.25 115.31 122.04 1faw h LEU 83 Ca 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1faw h LEU 83 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1faw h LEU 83 CO -0.01 0.00 0.02 0.28 0.09 0.00 0.00 178.44 178.82 1faw h SER 84 N 0.00 0.03 -0.66 -0.43 0.02 -1.31 -1.94 113.55 109.26 1faw h SER 84 Ca 0.00 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1faw h SER 84 Cb 0.53 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 1faw h SER 84 CO 0.00 0.05 0.43 0.44 -1.14 0.00 0.00 176.83 176.61 1faw h ASP 85 N 0.01 0.73 -0.31 3.07 3.32 -1.67 0.16 116.42 121.74 1faw h ASP 85 Ca 0.01 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.06 1faw h ASP 85 Cb 0.03 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1faw h ASP 85 CO -0.00 0.53 0.16 0.25 -1.72 0.00 0.00 179.24 178.46 1faw h LEU 86 N 0.87 0.25 -0.02 1.55 5.85 -1.65 0.85 115.31 123.01 1faw h LEU 86 Ca 0.25 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.88 1faw h LEU 86 Cb -0.07 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 40.92 1faw h LEU 86 CO -0.06 0.19 -0.37 0.45 -0.34 0.00 0.00 178.44 178.31 1faw h HIS 87 N 0.34 0.41 0.16 1.25 3.86 -1.10 0.50 115.15 120.57 1faw h HIS 87 Ca 0.12 -0.21 -0.27 0.00 -1.16 0.00 0.00 60.37 58.85 1faw h HIS 87 Cb 0.02 -0.05 0.01 0.00 1.06 0.00 0.00 27.41 28.45 1faw h HIS 87 CO -0.09 0.99 -1.30 0.00 0.86 0.00 0.00 177.93 178.39 1faw h ALA 88 N 0.33 0.04 0.00 2.45 0.00 -0.73 -1.27 119.26 120.08 1faw h ALA 88 Ca -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1faw h ALA 88 Cb 1.08 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1faw h ALA 88 CO 0.07 0.70 -0.18 1.96 0.00 0.00 0.00 179.25 181.80 1faw h GLN 89 N -0.19 0.00 0.39 0.00 1.08 -0.98 -3.32 115.11 112.09 1faw h GLN 89 Ca -0.26 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 1faw h GLN 89 Cb 1.84 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.28 1faw h GLN 89 CO 0.14 0.00 -0.19 0.87 -0.95 0.00 0.00 178.83 178.70 1faw h LYS 90 N -0.63 -0.51 0.00 1.46 1.57 -1.44 -3.35 116.57 113.67 1faw h LYS 90 Ca 0.00 0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 1faw h LYS 90 Cb 0.18 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1faw h LYS 90 CO 0.00 -0.25 -0.60 -0.07 -0.57 0.00 0.00 179.45 177.96 1faw h LEU 91 N -1.07 0.00 -2.65 2.94 3.38 -1.06 -3.48 115.31 113.37 1faw h LEU 91 Ca -0.05 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.55 1faw h LEU 91 Cb 0.49 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.36 1faw h LEU 91 CO 0.09 0.60 -0.89 0.54 0.09 0.00 0.00 178.44 178.87 1faw n ARG 92 N -3.75 -2.38 -2.64 1.13 3.00 -0.79 -4.91 116.66 106.32 1faw n ARG 92 Ca -0.01 0.63 -0.42 0.00 -0.01 0.00 0.00 57.85 58.03 1faw n ARG 92 Cb 0.62 -4.91 -0.03 0.00 0.00 0.00 0.00 32.46 28.14 1faw n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1faw s VAL 93 N -3.48 4.68 0.14 1.55 1.01 -0.55 -4.98 120.40 118.77 1faw s VAL 93 Ca 0.37 1.96 -0.32 0.00 0.00 0.00 0.00 61.98 63.98 1faw s VAL 93 Cb -0.10 -4.26 -0.12 0.00 0.00 0.00 0.00 36.38 31.91 1faw s VAL 93 CO 0.81 0.01 1.76 -0.67 0.00 0.00 0.00 175.10 177.02 1faw n ASP 94 N 4.97 3.83 -0.33 3.32 -0.08 -1.26 -4.85 116.55 122.15 1faw n ASP 94 Ca 0.09 1.02 0.36 0.00 -1.51 0.00 0.00 54.79 54.75 1faw n ASP 94 Cb 0.48 -1.52 0.75 0.00 2.34 0.00 0.00 41.12 43.17 1faw n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1faw h PRO 95 N 7.63 0.00 -0.46 -0.67 0.11 -1.99 -1.89 132.00 134.73 1faw h PRO 95 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1faw h PRO 95 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1faw h PRO 95 CO 0.94 0.00 0.17 -0.39 -0.21 0.00 0.00 178.00 178.51 1faw h VAL 96 N 0.00 1.18 -0.43 3.15 -1.51 -2.03 -2.63 116.25 113.98 1faw h VAL 96 Ca 0.57 -0.59 0.10 0.00 -1.23 0.00 0.00 66.70 65.55 1faw h VAL 96 Cb 2.33 0.65 -0.02 0.00 -2.13 0.00 0.00 31.29 32.12 1faw h VAL 96 CO -0.01 0.23 0.30 0.78 -1.23 0.00 0.00 177.57 177.64 1faw h ASN 97 N 0.66 0.13 -0.21 4.19 -0.26 -1.71 -0.24 115.58 118.13 1faw h ASN 97 Ca 0.16 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.87 1faw h ASN 97 Cb 0.16 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.38 1faw h ASN 97 CO -0.01 0.08 0.04 -0.26 -1.06 0.00 0.00 177.43 176.21 1faw h PHE 98 N 0.14 0.46 -0.47 1.19 0.04 -1.64 -1.53 116.94 115.12 1faw h PHE 98 Ca 0.20 -0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.85 1faw h PHE 98 Cb 0.62 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 1faw h PHE 98 CO -0.00 0.43 -0.09 0.87 -0.60 0.00 0.00 178.31 178.92 1faw h LYS 99 N 0.44 0.85 0.31 1.51 1.57 -1.17 -2.14 116.57 117.93 1faw h LYS 99 Ca 0.10 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1faw h LYS 99 Cb 0.23 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1faw h LYS 99 CO 0.00 0.90 -0.15 0.74 -0.57 0.00 0.00 179.45 180.38 1faw h PHE 100 N 0.77 -0.39 -0.50 -1.35 0.05 -1.22 -0.81 116.94 113.50 1faw h PHE 100 Ca 0.13 -0.01 0.04 0.00 3.82 0.00 0.00 57.97 61.95 1faw h PHE 100 Cb 0.59 0.13 -0.04 0.00 2.00 0.00 0.00 35.95 38.62 1faw h PHE 100 CO 0.03 -0.19 0.25 1.25 -0.18 0.00 0.00 178.31 179.48 1faw h LEU 101 N -0.50 0.37 -0.81 1.54 5.85 -1.31 -1.53 115.31 118.91 1faw h LEU 101 Ca -0.04 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1faw h LEU 101 Cb 0.37 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1faw h LEU 101 CO 0.07 0.25 0.52 1.23 -0.34 0.00 0.00 178.44 180.17 1faw h GLY 102 N 0.50 1.19 1.65 3.75 0.00 -1.21 -1.14 103.07 107.80 1faw h GLY 102 Ca 0.22 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 1faw h GLY 102 CO -0.15 0.32 -0.16 0.84 0.00 0.00 0.00 176.54 177.39 1faw h HIS 103 N 1.00 0.46 -0.01 5.60 -0.00 -0.44 -2.36 115.15 119.40 1faw h HIS 103 Ca 0.33 -0.07 -0.16 0.00 -0.00 0.00 0.00 60.37 60.46 1faw h HIS 103 Cb 0.04 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.31 1faw h HIS 103 CO -0.03 0.57 -0.75 0.00 -0.00 0.00 0.00 177.93 177.73 1faw h PHE 105 N 0.07 0.94 -0.13 0.00 3.04 -0.85 -1.74 116.94 118.27 1faw h PHE 105 Ca -0.02 -0.23 -0.02 0.00 3.98 0.00 0.00 57.97 61.67 1faw h PHE 105 Cb 1.31 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 39.60 1faw h PHE 105 CO 0.01 0.99 -0.01 -0.07 -2.02 0.00 0.00 178.31 177.22 1faw h LEU 106 N 0.70 0.24 -1.80 0.59 3.38 -1.34 -1.58 115.31 115.51 1faw h LEU 106 Ca 0.09 -0.33 0.16 0.00 0.09 0.00 0.00 57.88 57.89 1faw h LEU 106 Cb 0.80 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1faw h LEU 106 CO 0.07 0.51 0.46 0.58 0.09 0.00 0.00 178.44 180.14 1faw h VAL 107 N -0.04 0.75 0.35 1.22 2.07 -1.26 -0.08 116.25 119.27 1faw h VAL 107 Ca 0.04 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1faw h VAL 107 Cb 0.39 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1faw h VAL 107 CO 0.01 0.04 -0.17 0.58 0.02 0.00 0.00 177.57 178.04 1faw h VAL 108 N 0.20 0.00 0.00 2.57 2.07 -0.85 -2.70 116.25 117.54 1faw h VAL 108 Ca 0.32 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1faw h VAL 108 Cb 0.98 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1faw h VAL 108 CO -0.06 0.00 0.18 -0.37 0.02 0.00 0.00 177.57 177.34 1faw h VAL 109 N -1.01 0.00 0.00 2.57 -1.51 -0.80 0.36 116.25 115.87 1faw h VAL 109 Ca -0.05 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.38 1faw h VAL 109 Cb 0.36 0.82 -0.01 0.00 -2.13 0.00 0.00 31.29 30.34 1faw h VAL 109 CO 0.08 0.00 -0.38 0.00 -1.23 0.00 0.00 177.57 176.04 1faw h ALA 110 N 1.64 0.81 0.14 5.19 0.00 -1.01 0.13 119.26 126.16 1faw h ALA 110 Ca 0.00 -0.19 -0.32 0.00 0.00 0.00 0.00 54.91 54.40 1faw h ALA 110 Cb 0.36 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1faw h ALA 110 CO 0.00 0.25 -1.56 0.82 0.00 0.00 0.00 179.25 178.76 1faw h ILE 111 N 0.00 1.14 0.00 0.00 2.04 0.04 -3.21 117.51 117.52 1faw h ILE 111 Ca -0.01 -2.75 -0.11 0.00 1.00 0.00 0.00 64.86 62.99 1faw h ILE 111 Cb 1.15 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 40.00 1faw h ILE 111 CO 0.02 0.83 -1.49 1.41 0.00 0.00 0.00 178.15 178.92 1faw n HIS 112 N -3.50 0.73 -2.85 1.37 8.25 -0.88 -4.64 115.22 113.70 1faw n HIS 112 Ca -0.18 0.23 -0.12 0.00 -0.26 0.00 0.00 57.72 57.40 1faw n HIS 112 Cb 1.05 -0.95 0.02 0.00 1.12 0.00 0.00 29.99 31.23 1faw n HIS 112 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1faw n HIS 113 N -2.71 0.32 -0.18 4.41 8.25 0.46 -4.99 115.22 120.78 1faw n HIS 113 Ca -0.08 -3.04 -0.11 0.00 -0.26 0.00 0.00 57.72 54.22 1faw n HIS 113 Cb 0.75 -0.13 -0.07 0.00 1.12 0.00 0.00 29.99 31.65 1faw n HIS 113 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1faw h PRO 114 N 2.92 -0.30 0.00 -0.41 0.13 -1.66 0.17 132.00 132.85 1faw h PRO 114 Ca -0.05 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1faw h PRO 114 Cb 1.11 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1faw h PRO 114 CO 0.44 -0.20 0.01 -1.13 -0.23 0.00 0.00 178.00 176.88 1faw n SER 115 N -5.38 0.00 -0.07 1.44 3.41 -1.26 -0.99 113.62 110.77 1faw n SER 115 Ca -0.01 0.22 -0.05 0.00 -0.26 0.00 0.00 58.87 58.77 1faw n SER 115 Cb 0.34 -0.22 -0.15 0.00 -0.26 0.00 0.00 64.21 63.92 1faw n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1faw n ALA 116 N -1.22 1.78 -2.30 7.33 0.00 0.55 -4.59 120.51 122.06 1faw n ALA 116 Ca 0.00 -1.06 -0.42 0.00 0.00 0.00 0.00 53.44 51.96 1faw n ALA 116 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1faw n ALA 116 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1faw n LEU 117 N -2.58 6.87 -4.80 0.00 7.94 -0.16 -4.83 117.00 119.45 1faw n LEU 117 Ca -0.24 -4.71 -0.35 0.00 -1.11 0.00 0.00 56.01 49.60 1faw n LEU 117 Cb 0.98 -1.45 -0.06 0.00 0.53 0.00 0.00 43.42 43.42 1faw n LEU 117 CO 0.39 1.50 0.67 0.42 -1.11 0.00 0.00 177.39 179.27 1faw s THR 118 N 0.01 4.15 0.48 1.96 -4.23 -1.26 -4.71 115.64 112.04 1faw s THR 118 Ca 0.41 1.48 0.37 0.00 -1.18 0.00 0.00 61.69 62.77 1faw s THR 118 Cb 0.11 -3.68 0.57 0.00 1.34 0.00 0.00 72.50 70.84 1faw s THR 118 CO -0.01 -0.15 1.61 1.55 -0.54 0.00 0.00 174.62 177.09 1faw h PRO 119 N 2.23 0.04 -0.20 3.99 0.13 -1.96 0.70 132.00 136.93 1faw h PRO 119 Ca -0.48 -0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.44 1faw h PRO 119 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1faw h PRO 119 CO 0.62 0.03 -0.67 0.93 -0.23 0.00 0.00 178.00 178.68 1faw h GLU 120 N 0.04 0.75 -0.19 0.86 3.07 -1.97 -2.57 114.58 114.58 1faw h GLU 120 Ca 0.85 -0.55 -0.18 0.00 -0.50 0.00 0.00 59.36 58.98 1faw h GLU 120 Cb 2.96 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 30.96 1faw h GLU 120 CO -0.27 1.17 -0.61 0.28 -1.40 0.00 0.00 179.01 178.18 1faw h VAL 121 N 0.55 1.31 -0.27 3.13 2.07 -0.03 -2.89 116.25 120.12 1faw h VAL 121 Ca -0.02 -1.86 0.04 0.00 0.82 0.00 0.00 66.70 65.68 1faw h VAL 121 Cb 1.27 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.83 1faw h VAL 121 CO 0.14 0.58 0.03 -0.74 0.02 0.00 0.00 177.57 177.61 1faw h HIS 122 N 0.47 0.05 -0.65 1.57 6.17 -0.94 0.12 115.15 121.96 1faw h HIS 122 Ca -0.01 0.02 0.09 0.00 0.71 0.00 0.00 60.37 61.19 1faw h HIS 122 Cb 1.19 0.02 -0.07 0.00 2.52 0.00 0.00 27.41 31.06 1faw h HIS 122 CO 0.06 -0.00 0.28 0.00 0.71 0.00 0.00 177.93 178.97 1faw h ALA 123 N 1.21 0.86 0.23 5.26 0.00 -1.37 -0.38 119.26 125.07 1faw h ALA 123 Ca 0.13 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1faw h ALA 123 Cb 0.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1faw h ALA 123 CO -0.19 -0.14 -0.11 0.77 0.00 0.00 0.00 179.25 179.58 1faw h SER 124 N 0.48 -0.26 -0.93 0.00 0.02 -1.12 -2.81 113.55 108.94 1faw h SER 124 Ca 0.32 -0.21 0.17 0.00 -0.84 0.00 0.00 61.79 61.23 1faw h SER 124 Cb 0.37 0.07 -0.08 0.00 0.14 0.00 0.00 62.40 62.90 1faw h SER 124 CO -0.29 0.09 0.59 -0.07 -1.14 0.00 0.00 176.83 176.01 1faw h LEU 125 N -0.64 0.64 -0.90 5.07 3.38 -0.47 0.15 115.31 122.54 1faw h LEU 125 Ca -0.03 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1faw h LEU 125 Cb 0.45 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1faw h LEU 125 CO 0.05 0.29 -0.44 -0.78 0.09 0.00 0.00 178.44 177.65 1faw h ASP 126 N 0.65 0.26 -0.29 -0.43 1.82 -1.04 -0.89 116.42 116.51 1faw h ASP 126 Ca 0.49 -0.11 -0.18 0.00 -0.39 0.00 0.00 57.03 56.83 1faw h ASP 126 Cb 0.87 -0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.80 1faw h ASP 126 CO -0.24 0.67 -0.52 0.11 -1.61 0.00 0.00 179.24 177.65 1faw h LYS 127 N 0.20 0.88 -0.57 0.28 1.57 -0.50 -2.41 116.57 116.02 1faw h LYS 127 Ca 0.02 -0.54 -0.05 0.00 -1.87 0.00 0.00 60.65 58.21 1faw h LYS 127 Cb 0.86 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1faw h LYS 127 CO 0.07 1.18 0.15 0.35 -0.57 0.00 0.00 179.45 180.63 1faw h PHE 128 N 0.68 0.94 -0.15 -1.35 3.57 -0.88 -1.93 116.94 117.81 1faw h PHE 128 Ca 0.02 -0.11 -0.09 0.00 3.53 0.00 0.00 57.97 61.33 1faw h PHE 128 Cb 1.12 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1faw h PHE 128 CO 0.07 0.80 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.57 1faw h LEU 129 N 0.81 0.29 -0.49 0.59 3.38 -1.15 -2.55 115.31 116.19 1faw h LEU 129 Ca 0.18 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1faw h LEU 129 Cb 0.32 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1faw h LEU 129 CO -0.00 0.59 -0.14 0.00 0.09 0.00 0.00 178.44 178.98 1faw h ALA 131 N 0.89 -0.84 -0.52 0.00 0.00 -1.05 0.18 119.26 117.91 1faw h ALA 131 Ca 0.12 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1faw h ALA 131 Cb 0.71 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 1faw h ALA 131 CO 0.05 -1.00 -0.05 0.28 0.00 0.00 0.00 179.25 178.54 1faw h VAL 132 N -0.82 0.54 -0.77 0.00 2.07 -1.40 0.21 116.25 116.08 1faw h VAL 132 Ca -0.05 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1faw h VAL 132 Cb 0.69 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 1faw h VAL 132 CO 0.01 0.01 0.42 1.23 0.02 0.00 0.00 177.57 179.27 1faw h GLY 133 N 0.07 1.18 0.84 2.17 0.00 -0.67 -0.75 103.07 105.90 1faw h GLY 133 Ca 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1faw h GLY 133 CO -0.48 0.11 -0.18 -0.84 0.00 0.00 0.00 176.54 175.15 1faw h THR 134 N 0.72 0.63 -0.70 4.70 2.02 0.20 -2.74 112.91 117.74 1faw h THR 134 Ca 0.37 -0.29 0.10 0.00 0.77 0.00 0.00 66.41 67.36 1faw h THR 134 Cb 0.35 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 1faw h THR 134 CO -0.25 0.06 0.46 0.58 0.37 0.00 0.00 175.52 176.74 1faw h VAL 135 N -0.68 0.91 0.00 3.16 2.07 -0.33 0.13 116.25 121.51 1faw h VAL 135 Ca -0.05 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1faw h VAL 135 Cb 0.48 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1faw h VAL 135 CO 0.09 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.95 1faw n LEU 136 N -4.49 0.53 -0.34 2.57 4.77 -0.32 -2.86 117.00 116.86 1faw n LEU 136 Ca 0.12 0.57 0.03 0.00 -0.03 0.00 0.00 56.01 56.69 1faw n LEU 136 Cb 0.37 -0.42 0.08 0.00 -2.33 0.00 0.00 43.42 41.12 1faw n LEU 136 CO 0.33 -0.20 0.56 0.35 -1.33 0.00 0.00 177.39 177.10 1faw n THR 137 N -2.01 0.97 -0.33 -5.08 -2.24 -0.37 -3.85 114.28 101.37 1faw n THR 137 Ca 0.05 -0.99 0.20 0.00 -2.27 0.00 0.00 64.05 61.05 1faw n THR 137 Cb 0.36 0.52 0.45 0.00 -2.10 0.00 0.00 70.33 69.56 1faw n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1faw h ALA 138 N 1.08 2.05 0.00 6.98 0.00 -0.89 -2.04 119.26 126.45 1faw h ALA 138 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1faw h ALA 138 Cb 0.61 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1faw h ALA 138 CO 0.00 -0.47 0.00 1.63 0.00 0.00 0.00 179.25 180.41 1faw n LYS 139 N -4.71 0.67 -0.01 0.00 4.01 -1.26 -2.62 118.16 114.24 1faw n LYS 139 Ca 0.25 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 58.04 1faw n LYS 139 Cb 0.80 -1.16 -0.01 0.00 -0.51 0.00 0.00 35.03 34.15 1faw n LYS 139 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1faw n TYR 140 N 0.67 0.00 -0.79 2.13 0.53 -0.76 -4.87 117.16 114.07 1faw n TYR 140 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 1faw n TYR 140 Cb 0.34 -0.06 0.00 0.00 -1.03 0.00 0.00 39.34 38.59 1faw n TYR 140 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38