#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fdl h PRO -4 N 0.00 0.00 -0.05 1.61 0.13 -2.06 0.10 132.00 131.74 3fdl h PRO -4 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3fdl h PRO -4 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3fdl h PRO -4 CO 0.00 0.35 -0.09 1.25 -0.23 0.00 0.00 178.00 179.28 3fdl h LEU -3 N 0.00 0.16 -0.91 1.56 5.85 -2.06 -2.50 115.31 117.41 3fdl h LEU -3 Ca -0.00 -0.56 -0.00 0.00 0.84 0.00 0.00 57.88 58.16 3fdl h LEU -3 Cb 0.68 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 3fdl h LEU -3 CO 0.05 0.69 0.56 1.23 -0.34 0.00 0.00 178.44 180.62 3fdl h GLY -2 N -0.36 1.31 1.21 3.75 0.00 -1.96 -2.93 103.07 104.09 3fdl h GLY -2 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 3fdl h GLY -2 CO 0.02 0.52 0.25 0.23 0.00 0.00 0.00 176.54 177.55 3fdl h SER -1 N 1.25 0.93 -0.60 0.19 0.87 -0.70 -0.09 113.55 115.39 3fdl h SER -1 Ca 0.33 -0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3fdl h SER -1 Cb -0.07 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.62 3fdl h SER -1 CO -0.06 0.84 0.19 0.00 -0.53 0.00 0.00 176.83 177.27 3fdl h MET 1 N 0.98 0.97 -0.37 2.24 -0.00 -1.28 0.15 114.93 117.62 3fdl h MET 1 Ca 0.22 -0.19 -0.01 0.00 -0.00 0.00 0.00 59.70 59.72 3fdl h MET 1 Cb 0.22 -0.15 -0.02 0.00 -0.00 0.00 0.00 31.60 31.66 3fdl h MET 1 CO -0.02 0.83 0.17 1.03 -0.00 0.00 0.00 176.91 178.93 3fdl h SER 2 N 0.94 0.49 -0.69 -0.10 0.87 -1.19 -1.57 113.55 112.30 3fdl h SER 2 Ca 0.21 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 3fdl h SER 2 Cb 0.27 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 3fdl h SER 2 CO -0.01 0.49 0.24 1.56 -0.53 0.00 0.00 176.83 178.57 3fdl h GLN 3 N 0.46 1.05 -0.62 2.24 4.20 -0.72 -1.96 115.11 119.77 3fdl h GLN 3 Ca 0.13 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 3fdl h GLN 3 Cb 0.13 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3fdl h GLN 3 CO -0.02 0.90 0.08 0.77 -0.67 0.00 0.00 178.83 179.89 3fdl h SER 4 N 1.00 1.00 -0.59 1.46 0.02 -0.58 -0.00 113.55 115.86 3fdl h SER 4 Ca 0.22 -0.27 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 3fdl h SER 4 Cb 0.27 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3fdl h SER 4 CO -0.01 1.02 0.34 0.78 -1.14 0.00 0.00 176.83 177.82 3fdl h ASN 5 N 0.95 0.54 -0.43 3.07 2.35 -1.10 -1.15 115.58 119.81 3fdl h ASN 5 Ca 0.19 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 3fdl h ASN 5 Cb 0.46 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3fdl h ASN 5 CO 0.02 0.37 0.12 -0.09 -1.65 0.00 0.00 177.43 176.20 3fdl h ARG 6 N 0.67 0.68 -0.59 0.81 9.65 -1.07 -2.17 114.38 122.35 3fdl h ARG 6 Ca 0.25 -0.16 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 3fdl h ARG 6 Cb 0.07 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 3fdl h ARG 6 CO -0.12 0.68 0.28 0.93 2.80 0.00 0.00 179.97 184.53 3fdl h GLU 7 N 0.56 0.83 -0.36 0.20 5.08 -0.81 -0.77 114.58 119.31 3fdl h GLU 7 Ca 0.14 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3fdl h GLU 7 Cb 0.29 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3fdl h GLU 7 CO -0.00 0.65 -0.08 1.25 -1.00 0.00 0.00 179.01 179.83 3fdl h LEU 8 N 0.83 0.69 -0.01 1.33 5.85 -0.95 -0.62 115.31 122.43 3fdl h LEU 8 Ca 0.21 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 3fdl h LEU 8 Cb 0.09 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3fdl h LEU 8 CO -0.03 0.89 0.00 0.58 -0.34 0.00 0.00 178.44 179.54 3fdl h VAL 9 N 0.48 1.09 -0.78 1.05 2.07 -1.07 -0.63 116.25 118.46 3fdl h VAL 9 Ca 0.09 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3fdl h VAL 9 Cb 0.58 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3fdl h VAL 9 CO 0.03 0.07 0.40 0.58 0.02 0.00 0.00 177.57 178.68 3fdl h VAL 10 N -0.10 1.24 -0.25 2.57 2.07 -1.05 -0.03 116.25 120.69 3fdl h VAL 10 Ca 0.00 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 3fdl h VAL 10 Cb 0.11 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3fdl h VAL 10 CO -0.00 0.28 0.07 -0.78 0.02 0.00 0.00 177.57 177.15 3fdl h ASP 11 N 1.10 0.37 -0.27 0.57 3.58 -0.76 -0.29 116.42 120.72 3fdl h ASP 11 Ca 0.27 -0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.47 3fdl h ASP 11 Cb 0.07 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 3fdl h ASP 11 CO -0.04 0.50 0.03 0.15 -2.88 0.00 0.00 179.24 177.00 3fdl h PHE 12 N 0.23 0.48 -0.70 0.28 3.04 -0.60 -1.70 116.94 117.98 3fdl h PHE 12 Ca 0.08 -0.07 -0.06 0.00 3.98 0.00 0.00 57.97 61.90 3fdl h PHE 12 Cb 0.27 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 3fdl h PHE 12 CO 0.01 0.58 0.20 -0.07 -2.02 0.00 0.00 178.31 177.00 3fdl h LEU 13 N 0.25 1.02 -0.31 0.59 3.38 -0.98 -1.24 115.31 118.03 3fdl h LEU 13 Ca 0.08 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3fdl h LEU 13 Cb 0.36 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3fdl h LEU 13 CO 0.01 0.96 0.16 0.28 0.09 0.00 0.00 178.44 179.93 3fdl h SER 14 N 1.04 0.24 0.06 -0.43 0.02 -0.95 -0.43 113.55 113.10 3fdl h SER 14 Ca 0.22 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 3fdl h SER 14 Cb 0.32 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3fdl h SER 14 CO -0.00 0.18 -0.09 0.22 -1.14 0.00 0.00 176.83 175.99 3fdl h TYR 15 N 0.33 -0.24 -0.65 3.45 3.20 -0.81 -1.96 116.97 120.29 3fdl h TYR 15 Ca 0.13 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 3fdl h TYR 15 Cb 0.04 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3fdl h TYR 15 CO -0.09 -0.15 0.30 0.87 -1.64 0.00 0.00 178.16 177.45 3fdl h LYS 16 N -0.20 0.92 -0.44 1.82 1.79 -1.09 -1.38 116.57 117.99 3fdl h LYS 16 Ca 0.02 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 3fdl h LYS 16 Cb 0.21 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 3fdl h LYS 16 CO -0.05 0.72 0.23 -0.07 -1.08 0.00 0.00 179.45 179.20 3fdl h LEU 17 N 0.92 0.57 -1.42 2.94 3.38 -0.91 -2.93 115.31 117.85 3fdl h LEU 17 Ca 0.22 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3fdl h LEU 17 Cb 0.11 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3fdl h LEU 17 CO -0.03 0.51 0.03 0.77 0.09 0.00 0.00 178.44 179.81 3fdl h SER 18 N 0.58 0.37 0.54 -0.43 4.64 -0.49 -0.48 113.55 118.28 3fdl h SER 18 Ca 0.15 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3fdl h SER 18 Cb 0.08 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3fdl h SER 18 CO -0.02 0.42 0.00 1.56 -0.87 0.00 0.00 176.83 177.92 3fdl h GLN 19 N 0.40 0.00 -0.39 4.77 4.20 -1.14 -2.13 115.11 120.83 3fdl h GLN 19 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3fdl h GLN 19 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3fdl h GLN 19 CO 0.00 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.79 3fdl n LYS 20 N -2.94 3.14 -0.99 1.46 4.76 -0.32 -4.95 118.16 118.33 3fdl n LYS 20 Ca -0.01 -2.57 0.00 0.00 -2.87 0.00 0.00 58.31 52.86 3fdl n LYS 20 Cb 0.19 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 3fdl n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fdl n GLY 21 N 0.26 0.52 4.00 0.72 0.00 -0.80 -5.03 105.19 104.87 3fdl n GLY 21 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 3fdl n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fdl s TYR 22 N -2.16 1.79 0.00 1.61 2.02 -0.45 -4.97 117.35 115.20 3fdl s TYR 22 Ca 0.00 -0.66 -0.10 0.00 -0.37 0.00 0.00 57.07 55.94 3fdl s TYR 22 Cb 0.00 -2.20 0.01 0.00 -0.40 0.00 0.00 41.96 39.36 3fdl s TYR 22 CO 0.00 -0.86 0.20 -1.54 -1.57 0.00 0.00 175.55 171.78 3fdl s SER 23 N -4.52 -0.04 0.19 2.29 1.04 -1.26 -2.75 113.70 108.64 3fdl s SER 23 Ca 0.56 -0.13 -0.06 0.00 0.48 0.00 0.00 55.95 56.80 3fdl s SER 23 Cb -0.06 0.25 0.10 0.00 0.10 0.00 0.00 66.02 66.41 3fdl s SER 23 CO 0.35 -0.42 1.55 -0.25 0.98 0.00 0.00 173.24 175.44 3fdl h TRP 24 N 4.03 0.89 -2.23 5.02 2.91 -1.89 -3.48 115.95 121.20 3fdl h TRP 24 Ca -0.31 -0.26 0.19 0.00 1.13 0.00 0.00 58.89 59.65 3fdl h TRP 24 Cb 1.19 -0.19 -0.09 0.00 -0.51 0.00 0.00 29.16 29.55 3fdl h TRP 24 CO 0.56 1.01 0.53 -1.54 -1.03 0.00 0.00 178.44 177.97 3fdl s SER 25 N -6.84 -0.18 0.11 2.65 1.04 -1.26 -5.01 113.70 104.22 3fdl s SER 25 Ca -0.09 -0.33 -0.19 0.00 0.48 0.00 0.00 55.95 55.81 3fdl s SER 25 Cb 0.12 0.44 -0.07 0.00 0.10 0.00 0.00 66.02 66.61 3fdl s SER 25 CO 0.85 -0.80 1.72 1.56 0.98 0.00 0.00 173.24 177.55 3fdl h GLN 26 N 2.00 0.31 -0.96 4.02 4.20 -2.00 -1.41 115.11 121.27 3fdl h GLN 26 Ca -0.24 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.45 3fdl h GLN 26 Cb 1.23 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.90 3fdl h GLN 26 CO 0.26 0.28 0.63 1.98 -0.67 0.00 0.00 178.83 181.31 3fdl h MET 83 N 0.26 1.22 -0.96 1.46 4.05 -1.99 -1.11 114.93 117.86 3fdl h MET 83 Ca 0.08 -0.07 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 3fdl h MET 83 Cb 0.06 -0.28 -0.05 0.00 -0.80 0.00 0.00 31.60 30.53 3fdl h MET 83 CO -0.01 0.81 0.63 0.00 0.23 0.00 0.00 176.91 178.57 3fdl h ALA 84 N 1.37 1.33 -0.57 0.39 0.00 -1.86 -0.61 119.26 119.31 3fdl h ALA 84 Ca 0.37 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 3fdl h ALA 84 Cb -0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.31 3fdl h ALA 84 CO -0.10 0.62 -0.02 0.00 0.00 0.00 0.00 179.25 179.75 3fdl h ALA 85 N 1.41 0.77 -0.19 0.00 0.00 -0.46 -1.49 119.26 119.30 3fdl h ALA 85 Ca 0.36 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3fdl h ALA 85 Cb -0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3fdl h ALA 85 CO -0.08 0.62 0.08 0.28 0.00 0.00 0.00 179.25 180.14 3fdl h VAL 86 N 0.90 1.16 -0.43 0.00 2.07 -0.80 -0.43 116.25 118.72 3fdl h VAL 86 Ca 0.16 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.24 3fdl h VAL 86 Cb 0.58 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 3fdl h VAL 86 CO 0.03 0.15 0.22 0.11 0.02 0.00 0.00 177.57 178.11 3fdl h LYS 87 N 0.15 0.43 -0.42 1.57 1.57 -1.04 0.03 116.57 118.86 3fdl h LYS 87 Ca 0.06 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3fdl h LYS 87 Cb 0.17 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3fdl h LYS 87 CO -0.01 0.29 0.06 0.37 -0.57 0.00 0.00 179.45 179.59 3fdl h GLN 88 N 0.45 0.70 -0.91 3.15 5.75 -1.13 -1.21 115.11 121.91 3fdl h GLN 88 Ca 0.18 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3fdl h GLN 88 Cb 0.08 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 3fdl h GLN 88 CO -0.12 0.74 0.53 0.00 -2.65 0.00 0.00 178.83 177.32 3fdl h ALA 89 N 0.93 1.16 -0.19 3.38 0.00 -0.78 -0.45 119.26 123.30 3fdl h ALA 89 Ca 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3fdl h ALA 89 Cb 0.38 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3fdl h ALA 89 CO 0.01 0.64 -0.03 1.25 0.00 0.00 0.00 179.25 181.12 3fdl h LEU 90 N 1.26 0.36 -0.28 0.00 5.85 -0.70 0.04 115.31 121.84 3fdl h LEU 90 Ca 0.32 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3fdl h LEU 90 Cb -0.02 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 3fdl h LEU 90 CO -0.06 0.62 -0.10 0.03 -0.34 0.00 0.00 178.44 178.60 3fdl h ARG 91 N 0.09 -0.04 -0.18 1.25 3.08 -0.90 0.14 114.38 117.82 3fdl h ARG 91 Ca 0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3fdl h ARG 91 Cb 0.46 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3fdl h ARG 91 CO 0.02 -0.03 0.10 0.93 -1.07 0.00 0.00 179.97 179.92 3fdl h GLU 92 N -0.04 0.24 -0.32 0.04 5.08 -1.03 -1.28 114.58 117.26 3fdl h GLU 92 Ca 0.14 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3fdl h GLU 92 Cb 0.26 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3fdl h GLU 92 CO -0.32 0.21 0.14 0.00 -1.00 0.00 0.00 179.01 178.05 3fdl h ALA 93 N 1.01 0.39 -0.55 3.43 0.00 -0.71 0.28 119.26 123.12 3fdl h ALA 93 Ca 0.06 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3fdl h ALA 93 Cb 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3fdl h ALA 93 CO -0.01 -0.24 0.33 0.78 0.00 0.00 0.00 179.25 180.11 3fdl h GLY 94 N 0.31 0.78 0.75 0.00 0.00 -0.57 0.51 103.07 104.85 3fdl h GLY 94 Ca 0.14 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.27 3fdl h GLY 94 CO -0.11 0.20 0.36 -0.55 0.00 0.00 0.00 176.54 176.44 3fdl h ASP 95 N 0.65 0.54 -0.40 0.19 3.32 -0.86 -0.39 116.42 119.47 3fdl h ASP 95 Ca 0.22 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 3fdl h ASP 95 Cb 0.03 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3fdl h ASP 95 CO -0.10 0.37 -0.14 -0.08 -1.72 0.00 0.00 179.24 177.56 3fdl h GLU 96 N 0.68 0.81 -0.02 3.56 4.81 -0.38 0.64 114.58 124.67 3fdl h GLU 96 Ca 0.27 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3fdl h GLU 96 Cb 0.12 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3fdl h GLU 96 CO -0.15 0.96 -0.09 0.35 -0.73 0.00 0.00 179.01 179.34 3fdl h PHE 97 N 0.62 -0.23 0.00 0.92 3.04 -0.75 0.12 116.94 120.66 3fdl h PHE 97 Ca 0.10 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.01 3fdl h PHE 97 Cb 0.69 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 3fdl h PHE 97 CO 0.05 -0.14 -0.22 0.93 -2.02 0.00 0.00 178.31 176.91 3fdl h GLU 98 N -0.15 0.00 0.00 1.11 5.08 -0.89 -1.10 114.58 118.64 3fdl h GLU 98 Ca 0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3fdl h GLU 98 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3fdl h GLU 98 CO -0.11 0.22 -0.00 1.25 -1.00 0.00 0.00 179.01 179.38 3fdl h LEU 99 N 0.00 -0.01 -0.61 1.33 5.85 -0.33 -2.08 115.31 119.46 3fdl h LEU 99 Ca -0.00 -0.86 -0.05 0.00 0.84 0.00 0.00 57.88 57.81 3fdl h LEU 99 Cb 0.44 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3fdl h LEU 99 CO 0.03 0.90 0.19 -0.09 -0.34 0.00 0.00 178.44 179.13 3fdl h ARG 100 N -0.96 0.95 -0.85 1.25 9.65 -0.80 -2.99 114.38 120.62 3fdl h ARG 100 Ca -0.00 -0.21 -0.48 0.00 -1.10 0.00 0.00 59.98 58.19 3fdl h ARG 100 Cb 0.86 -0.14 -0.27 0.00 -1.39 0.00 0.00 29.97 29.04 3fdl h ARG 100 CO 0.00 0.84 0.48 0.66 2.80 0.00 0.00 179.97 184.75 3fdl n TYR 101 N -4.39 2.68 -0.21 2.20 4.01 -0.42 -4.69 117.16 116.34 3fdl n TYR 101 Ca 0.03 -2.07 0.01 0.00 -0.16 0.00 0.00 57.90 55.71 3fdl n TYR 101 Cb 0.21 -0.93 0.12 0.00 -0.31 0.00 0.00 39.34 38.42 3fdl n TYR 101 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fdl h ARG 102 N 1.27 0.38 0.30 -0.72 3.08 -1.21 0.41 114.38 117.89 3fdl h ARG 102 Ca 0.53 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.55 3fdl h ARG 102 Cb 2.12 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 32.08 3fdl h ARG 102 CO 1.05 0.25 -0.14 -0.09 -1.07 0.00 0.00 179.97 179.96 3fdl h ARG 103 N 0.39 -0.39 -0.24 0.04 1.12 -1.86 0.80 114.38 114.24 3fdl h ARG 103 Ca 0.32 0.03 -0.13 0.00 -1.11 0.00 0.00 59.98 59.09 3fdl h ARG 103 Cb 0.42 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.46 3fdl h ARG 103 CO -0.33 -0.25 -0.38 0.00 -3.11 0.00 0.00 179.97 175.89 3fdl h ALA 104 N 0.29 0.88 -0.01 2.80 0.00 -1.84 -1.75 119.26 119.62 3fdl h ALA 104 Ca -0.04 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 3fdl h ALA 104 Cb 0.32 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3fdl h ALA 104 CO 0.07 0.64 -0.51 0.35 0.00 0.00 0.00 179.25 179.80 3fdl h PHE 105 N 0.47 0.53 -0.37 0.00 3.04 -0.05 -1.88 116.94 118.68 3fdl h PHE 105 Ca 0.04 -0.28 0.06 0.00 3.98 0.00 0.00 57.97 61.78 3fdl h PHE 105 Cb 0.88 -0.06 -0.06 0.00 2.56 0.00 0.00 35.95 39.27 3fdl h PHE 105 CO 0.03 1.09 0.03 0.77 -2.02 0.00 0.00 178.31 178.21 3fdl h SER 106 N -0.18 -0.09 -0.18 0.41 0.02 -0.90 -1.63 113.55 111.01 3fdl h SER 106 Ca -0.06 0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3fdl h SER 106 Cb 1.22 0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.85 3fdl h SER 106 CO 0.10 -0.01 -0.07 0.44 -1.14 0.00 0.00 176.83 176.15 3fdl h ASP 107 N 0.14 -0.23 -0.13 3.07 3.32 -1.26 -0.07 116.42 121.26 3fdl h ASP 107 Ca 0.18 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.18 3fdl h ASP 107 Cb 0.24 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3fdl h ASP 107 CO -0.28 -0.09 -0.30 0.17 -1.72 0.00 0.00 179.24 177.03 3fdl h LEU 108 N -0.04 0.63 -0.90 1.55 8.10 -1.12 -2.56 115.31 120.97 3fdl h LEU 108 Ca 0.09 -0.24 -0.11 0.00 0.11 0.00 0.00 57.88 57.73 3fdl h LEU 108 Cb 0.17 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.21 3fdl h LEU 108 CO -0.20 0.89 -0.53 0.71 -4.11 0.00 0.00 178.44 175.19 3fdl h THR 109 N 0.52 1.34 0.00 0.15 1.35 -1.08 -2.69 112.91 112.50 3fdl h THR 109 Ca 0.07 -1.86 -0.01 0.00 -0.55 0.00 0.00 66.41 64.06 3fdl h THR 109 Cb 0.77 2.01 -0.00 0.00 -1.73 0.00 0.00 68.15 69.21 3fdl h THR 109 CO 0.06 0.52 -0.06 0.77 -0.25 0.00 0.00 175.52 176.56 3fdl h SER 110 N 0.00 0.00 0.43 5.36 4.64 -0.58 -2.58 113.55 120.83 3fdl h SER 110 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3fdl h SER 110 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3fdl h SER 110 CO 0.07 0.06 -0.18 0.00 -0.87 0.00 0.00 176.83 175.91 3fdl n GLN 111 N -3.34 0.53 -1.89 4.77 1.13 -1.01 -4.91 117.38 112.66 3fdl n GLN 111 Ca -0.01 -0.22 -0.42 0.00 -1.94 0.00 0.00 57.00 54.41 3fdl n GLN 111 Cb 0.23 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 3fdl n GLN 111 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3fdl s LEU 112 N -2.62 4.37 -0.32 1.08 1.43 -0.97 -4.99 118.68 116.66 3fdl s LEU 112 Ca 0.24 2.64 0.01 0.00 -1.03 0.00 0.00 54.13 55.99 3fdl s LEU 112 Cb 0.19 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.91 3fdl s LEU 112 CO 0.52 -0.86 0.03 -2.28 0.23 0.00 0.00 176.35 173.99 3fdl s HIS 113 N 1.40 3.51 -0.16 0.29 2.46 -1.26 -5.11 115.29 116.41 3fdl s HIS 113 Ca 0.72 -2.49 -0.03 0.00 0.47 0.00 0.00 55.06 53.72 3fdl s HIS 113 Cb -0.44 -2.56 -0.02 0.00 -0.13 0.00 0.00 32.58 29.42 3fdl s HIS 113 CO 0.32 -0.91 -0.05 0.42 -2.47 0.00 0.00 174.74 172.05 3fdl s ILE 114 N 1.07 3.78 0.20 0.89 1.01 -1.26 -4.95 121.20 121.94 3fdl s ILE 114 Ca 0.02 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.34 3fdl s ILE 114 Cb -0.20 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 3fdl s ILE 114 CO -0.05 0.49 -0.11 0.42 0.00 0.00 0.00 174.94 175.69 3fdl s THR 115 N 0.45 1.48 0.32 2.92 -4.23 -1.26 -5.02 115.64 110.30 3fdl s THR 115 Ca -0.04 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 3fdl s THR 115 Cb -0.14 -2.07 0.22 0.00 1.34 0.00 0.00 72.50 71.85 3fdl s THR 115 CO 0.03 -0.58 1.93 -0.65 -0.54 0.00 0.00 174.62 174.82 3fdl h PRO 116 N 2.58 0.85 0.00 3.99 0.11 -1.99 -1.08 132.00 136.47 3fdl h PRO 116 Ca -0.38 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fdl h PRO 116 Cb 1.21 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3fdl h PRO 116 CO 0.63 0.65 0.00 0.41 -0.21 0.00 0.00 178.00 179.48 3fdl n GLY 117 N -1.19 -1.56 0.18 -0.55 0.00 -1.26 -3.38 105.19 97.42 3fdl n GLY 117 Ca 0.06 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.09 3fdl n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fdl n THR 118 N -2.11 0.00 -0.13 2.61 -2.24 -0.90 -4.78 114.28 106.73 3fdl n THR 118 Ca 0.05 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 3fdl n THR 118 Cb 0.36 1.09 -0.01 0.00 -2.10 0.00 0.00 70.33 69.68 3fdl n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fdl h ALA 119 N 0.94 0.50 -0.34 6.98 0.00 -1.22 -1.28 119.26 124.83 3fdl h ALA 119 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3fdl h ALA 119 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3fdl h ALA 119 CO 0.00 0.03 0.04 -0.92 0.00 0.00 0.00 179.25 178.39 3fdl h TYR 120 N 0.50 0.63 -0.73 0.00 3.20 -1.86 -0.18 116.97 118.52 3fdl h TYR 120 Ca 0.14 -0.10 0.10 0.00 3.14 0.00 0.00 58.73 62.01 3fdl h TYR 120 Cb 0.06 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.09 3fdl h TYR 120 CO -0.02 0.66 0.36 1.96 -1.64 0.00 0.00 178.16 179.48 3fdl h GLN 121 N 0.41 0.58 0.01 1.82 4.20 -1.83 0.14 115.11 120.43 3fdl h GLN 121 Ca 0.10 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3fdl h GLN 121 Cb 0.39 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3fdl h GLN 121 CO 0.01 0.38 -0.01 0.77 -0.67 0.00 0.00 178.83 179.32 3fdl h SER 122 N 0.59 -0.02 -0.09 1.46 0.02 -0.93 -0.67 113.55 113.92 3fdl h SER 122 Ca 0.36 -0.25 0.04 0.00 -0.84 0.00 0.00 61.79 61.10 3fdl h SER 122 Cb 0.41 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 3fdl h SER 122 CO -0.28 0.24 -0.16 0.15 -1.14 0.00 0.00 176.83 175.63 3fdl h PHE 123 N -0.27 -0.42 -0.47 3.45 3.57 -0.52 -1.23 116.94 121.05 3fdl h PHE 123 Ca -0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3fdl h PHE 123 Cb 0.26 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 3fdl h PHE 123 CO 0.01 -0.24 0.27 1.49 -2.23 0.00 0.00 178.31 177.62 3fdl h GLU 124 N -0.23 0.64 -0.31 1.11 4.81 -0.67 -1.38 114.58 118.55 3fdl h GLU 124 Ca 0.08 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3fdl h GLU 124 Cb 0.34 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3fdl h GLU 124 CO -0.22 0.49 0.09 0.37 -0.73 0.00 0.00 179.01 179.01 3fdl h GLN 125 N 0.62 0.49 0.23 1.92 4.15 -0.97 -0.98 115.11 120.57 3fdl h GLN 125 Ca 0.17 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 3fdl h GLN 125 Cb 0.02 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.64 3fdl h GLN 125 CO -0.03 0.54 -0.11 0.28 -1.93 0.00 0.00 178.83 177.58 3fdl h VAL 126 N 0.35 0.80 -0.75 2.39 2.07 -1.00 -1.87 116.25 118.24 3fdl h VAL 126 Ca 0.10 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 3fdl h VAL 126 Cb 0.25 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3fdl h VAL 126 CO -0.00 0.03 0.25 -0.37 0.02 0.00 0.00 177.57 177.50 3fdl h VAL 127 N -0.38 1.26 0.00 2.57 -1.51 -1.25 0.11 116.25 117.05 3fdl h VAL 127 Ca -0.03 -0.89 -0.05 0.00 -1.23 0.00 0.00 66.70 64.50 3fdl h VAL 127 Cb 0.29 0.42 -0.01 0.00 -2.13 0.00 0.00 31.29 29.86 3fdl h VAL 127 CO 0.05 0.35 -0.25 0.78 -1.23 0.00 0.00 177.57 177.27 3fdl h ASN 128 N 1.11 0.00 -0.00 4.19 -0.26 -1.15 -1.82 115.58 117.65 3fdl h ASN 128 Ca 0.24 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.86 3fdl h ASN 128 Cb 0.29 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.56 3fdl h ASN 128 CO -0.01 0.25 -0.46 -0.08 -1.06 0.00 0.00 177.43 176.07 3fdl h GLU 129 N 0.00 0.32 -0.79 0.81 4.57 -0.94 -2.42 114.58 116.13 3fdl h GLU 129 Ca -0.00 -0.34 0.18 0.00 -1.18 0.00 0.00 59.36 58.01 3fdl h GLU 129 Cb 0.53 0.10 -0.11 0.00 -0.16 0.00 0.00 28.75 29.11 3fdl h GLU 129 CO 0.03 1.03 0.24 1.25 -1.18 0.00 0.00 179.01 180.39 3fdl h LEU 130 N -0.26 0.11 -2.61 1.64 5.85 -0.67 -2.13 115.31 117.25 3fdl h LEU 130 Ca -0.06 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3fdl h LEU 130 Cb 1.20 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.40 3fdl h LEU 130 CO 0.09 -0.02 0.00 0.49 -0.34 0.00 0.00 178.44 178.66 3fdl n PHE 131 N -5.12 1.06 -0.27 1.25 3.72 -0.71 -4.65 117.46 112.75 3fdl n PHE 131 Ca 0.16 -0.48 0.04 0.00 -0.05 0.00 0.00 57.45 57.12 3fdl n PHE 131 Cb 0.51 -0.07 0.17 0.00 -0.94 0.00 0.00 39.48 39.15 3fdl n PHE 131 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3fdl h ARG 132 N 3.88 0.58 -0.46 -1.08 2.43 -0.85 -1.64 114.38 117.24 3fdl h ARG 132 Ca 0.00 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 3fdl h ARG 132 Cb 1.05 -0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 30.36 3fdl h ARG 132 CO 0.07 0.38 0.08 -0.40 -1.51 0.00 0.00 179.97 178.60 3fdl n ASP 133 N -4.88 3.35 0.00 -3.80 5.68 -1.26 -5.04 116.55 110.60 3fdl n ASP 133 Ca 0.14 -3.47 0.00 0.00 -0.50 0.00 0.00 54.79 50.96 3fdl n ASP 133 Cb 0.35 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 3fdl n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fdl n GLY 134 N -0.82 0.74 3.33 6.12 0.00 -0.62 -5.09 105.19 108.85 3fdl n GLY 134 Ca 0.34 -2.23 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 3fdl n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fdl s VAL 135 N -0.82 2.00 0.25 1.61 1.01 -1.26 -4.45 120.40 118.73 3fdl s VAL 135 Ca 0.00 -1.53 -0.15 0.00 0.00 0.00 0.00 61.98 60.29 3fdl s VAL 135 Cb 0.00 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.62 3fdl s VAL 135 CO 0.00 0.13 0.54 0.54 0.00 0.00 0.00 175.10 176.32 3fdl s ASN 136 N -1.69 -0.15 0.27 3.32 2.20 -1.26 -5.03 114.94 112.59 3fdl s ASN 136 Ca 0.11 -0.79 -0.01 0.00 -0.94 0.00 0.00 52.86 51.23 3fdl s ASN 136 Cb -0.10 0.62 0.35 0.00 -2.00 0.00 0.00 41.25 40.13 3fdl s ASN 136 CO 0.04 -1.18 1.76 -0.50 -2.94 0.00 0.00 177.10 174.28 3fdl h TRP 137 N 2.19 0.80 -0.62 1.54 4.06 -2.00 -1.38 115.95 120.53 3fdl h TRP 137 Ca -0.25 -0.12 -0.03 0.00 2.06 0.00 0.00 58.89 60.56 3fdl h TRP 137 Cb 1.25 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 29.17 3fdl h TRP 137 CO 0.40 0.76 0.29 0.78 -3.56 0.00 0.00 178.44 177.11 3fdl h GLY 138 N 0.96 0.96 1.16 1.49 0.00 -1.99 -1.47 103.07 104.19 3fdl h GLY 138 Ca 0.13 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 3fdl h GLY 138 CO 0.02 0.46 0.33 3.21 0.00 0.00 0.00 176.54 180.57 3fdl h ARG 139 N 0.85 1.07 -0.61 4.80 3.08 -1.85 -0.84 114.38 120.90 3fdl h ARG 139 Ca 0.21 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3fdl h ARG 139 Cb 0.14 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3fdl h ARG 139 CO -0.02 0.85 0.32 0.82 -1.07 0.00 0.00 179.97 180.86 3fdl h ILE 140 N 1.06 1.20 -0.73 2.04 2.04 -0.70 0.07 117.51 122.49 3fdl h ILE 140 Ca 0.25 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.58 3fdl h ILE 140 Cb 0.15 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 3fdl h ILE 140 CO -0.03 0.23 0.48 0.58 0.00 0.00 0.00 178.15 179.41 3fdl h VAL 141 N 0.83 1.18 -0.89 1.67 2.07 -1.09 -1.40 116.25 118.61 3fdl h VAL 141 Ca 0.21 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3fdl h VAL 141 Cb 0.07 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 3fdl h VAL 141 CO -0.03 0.18 0.56 0.00 0.02 0.00 0.00 177.57 178.30 3fdl h ALA 142 N 1.27 1.30 0.07 1.67 0.00 -0.68 0.65 119.26 123.55 3fdl h ALA 142 Ca 0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3fdl h ALA 142 Cb -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.32 3fdl h ALA 142 CO -0.06 0.62 -0.04 0.35 0.00 0.00 0.00 179.25 180.12 3fdl h PHE 143 N 1.23 -0.09 -0.04 0.00 3.57 -0.47 0.16 116.94 121.29 3fdl h PHE 143 Ca 0.32 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.83 3fdl h PHE 143 Cb -0.08 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3fdl h PHE 143 CO 0.00 -0.05 0.00 0.74 -2.23 0.00 0.00 178.31 176.78 3fdl h PHE 144 N -0.11 0.01 -0.78 0.41 0.04 -0.68 -0.92 116.94 114.91 3fdl h PHE 144 Ca -0.01 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.86 3fdl h PHE 144 Cb 0.09 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.17 3fdl h PHE 144 CO -0.07 0.00 0.42 0.77 -0.60 0.00 0.00 178.31 178.83 3fdl h SER 145 N 0.02 0.58 -0.28 2.17 0.02 -0.72 -0.72 113.55 114.63 3fdl h SER 145 Ca 0.02 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3fdl h SER 145 Cb 0.02 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3fdl h SER 145 CO -0.03 0.33 0.13 0.15 -1.14 0.00 0.00 176.83 176.27 3fdl h PHE 146 N 0.71 0.41 -0.59 3.45 3.57 -0.49 0.52 116.94 124.52 3fdl h PHE 146 Ca 0.38 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.89 3fdl h PHE 146 Cb 0.38 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 3fdl h PHE 146 CO -0.08 0.39 0.35 0.78 -2.23 0.00 0.00 178.31 177.52 3fdl h GLY 147 N 0.32 0.84 1.11 2.40 0.00 -0.70 -0.10 103.07 106.93 3fdl h GLY 147 Ca 0.10 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 3fdl h GLY 147 CO -0.01 0.22 0.17 -1.33 0.00 0.00 0.00 176.54 175.58 3fdl h GLY 148 N 0.69 1.19 1.13 4.60 0.00 -0.90 -1.18 103.07 108.60 3fdl h GLY 148 Ca 0.24 -0.73 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 3fdl h GLY 148 CO -0.11 0.68 0.29 0.00 0.00 0.00 0.00 176.54 177.41 3fdl h ALA 149 N 1.13 1.11 -0.70 3.60 0.00 -0.44 -1.63 119.26 122.33 3fdl h ALA 149 Ca 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3fdl h ALA 149 Cb 0.36 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3fdl h ALA 149 CO 0.00 0.63 0.37 1.25 0.00 0.00 0.00 179.25 181.51 3fdl h LEU 150 N 1.08 0.88 -0.16 0.00 5.85 -0.55 -0.06 115.31 122.35 3fdl h LEU 150 Ca 0.25 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3fdl h LEU 150 Cb 0.21 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3fdl h LEU 150 CO -0.02 0.73 0.05 0.00 -0.34 0.00 0.00 178.44 178.86 3fdl h VAL 152 N 0.08 1.02 -0.77 0.00 2.07 -1.16 -0.85 116.25 116.63 3fdl h VAL 152 Ca 0.05 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.46 3fdl h VAL 152 Cb 0.24 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 3fdl h VAL 152 CO -0.00 0.08 0.49 -0.08 0.02 0.00 0.00 177.57 178.07 3fdl h GLU 153 N 0.43 0.91 -0.28 1.57 4.57 -0.91 -0.27 114.58 120.59 3fdl h GLU 153 Ca 0.15 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 3fdl h GLU 153 Cb 0.03 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 3fdl h GLU 153 CO -0.08 0.60 0.12 0.77 -1.18 0.00 0.00 179.01 179.24 3fdl h SER 154 N 0.94 0.38 -0.11 1.04 0.02 -0.57 -1.45 113.55 113.80 3fdl h SER 154 Ca 0.32 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3fdl h SER 154 Cb 0.05 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 3fdl h SER 154 CO -0.13 0.43 0.03 0.58 -1.14 0.00 0.00 176.83 176.60 3fdl h VAL 155 N 0.31 1.20 -0.91 2.27 2.07 -0.97 0.44 116.25 120.66 3fdl h VAL 155 Ca 0.10 -0.61 0.25 0.00 0.82 0.00 0.00 66.70 67.25 3fdl h VAL 155 Cb 0.16 1.40 -0.16 0.00 -1.52 0.00 0.00 31.29 31.18 3fdl h VAL 155 CO -0.01 0.18 0.16 0.44 0.02 0.00 0.00 177.57 178.36 3fdl h ASP 156 N -0.03 -0.18 -0.36 0.57 3.32 -0.87 -0.27 116.42 118.59 3fdl h ASP 156 Ca 0.03 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3fdl h ASP 156 Cb 0.26 0.35 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3fdl h ASP 156 CO 0.00 -0.25 0.00 0.29 -1.72 0.00 0.00 179.24 177.57 3fdl n LYS 157 N -5.33 2.90 -2.45 3.56 4.76 -0.56 -4.90 118.16 116.14 3fdl n LYS 157 Ca 0.22 -1.76 -0.18 0.00 -2.87 0.00 0.00 58.31 53.72 3fdl n LYS 157 Cb 0.73 -1.77 -0.00 0.00 -1.84 0.00 0.00 35.03 32.15 3fdl n LYS 157 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3fdl n GLU 158 N 0.48 -1.97 -2.20 1.97 1.02 -0.11 -4.91 120.64 114.93 3fdl n GLU 158 Ca 0.16 0.86 -0.30 0.00 -0.02 0.00 0.00 57.16 57.85 3fdl n GLU 158 Cb 0.67 -5.37 0.02 0.00 -0.02 0.00 0.00 31.44 26.74 3fdl n GLU 158 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3fdl n MET 159 N -2.89 3.26 0.21 3.49 2.81 0.15 -4.83 117.12 119.34 3fdl n MET 159 Ca -0.19 -4.16 0.16 0.00 -1.81 0.00 0.00 57.70 51.70 3fdl n MET 159 Cb 0.65 -2.26 0.82 0.00 -0.71 0.00 0.00 33.22 31.72 3fdl n MET 159 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 3fdl h GLN 160 N 2.56 0.00 -0.37 0.03 7.50 -1.85 0.03 115.11 123.01 3fdl h GLN 160 Ca 0.39 0.00 0.11 0.00 0.50 0.00 0.00 58.65 59.65 3fdl h GLN 160 Cb 0.82 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.34 3fdl h GLN 160 CO 1.01 0.00 0.34 -0.24 -1.50 0.00 0.00 178.83 178.44 3fdl h VAL 161 N 0.00 0.54 0.00 -0.54 3.04 -1.92 -1.42 116.25 115.94 3fdl h VAL 161 Ca 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 3fdl h VAL 161 Cb 0.39 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 30.41 3fdl h VAL 161 CO -0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.57 176.49 3fdl h LEU 162 N 0.00 0.00 -0.06 3.16 3.38 -1.37 -3.34 115.31 117.08 3fdl h LEU 162 Ca 0.18 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3fdl h LEU 162 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3fdl h LEU 162 CO -0.00 0.00 0.01 0.58 0.09 0.00 0.00 178.44 179.12 3fdl h VAL 163 N 0.00 0.98 -0.11 1.22 2.07 -1.43 0.26 116.25 119.24 3fdl h VAL 163 Ca 0.00 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 3fdl h VAL 163 Cb 0.72 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3fdl h VAL 163 CO 0.00 0.01 -0.20 0.77 0.02 0.00 0.00 177.57 178.16 3fdl h SER 164 N 0.04 0.18 -0.14 0.57 4.64 -1.77 -1.72 113.55 115.35 3fdl h SER 164 Ca 0.03 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 3fdl h SER 164 Cb 0.02 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3fdl h SER 164 CO -0.03 0.39 -0.03 0.03 -0.87 0.00 0.00 176.83 176.32 3fdl h ARG 165 N 0.17 0.26 -0.60 4.77 3.08 -1.52 -2.27 114.38 118.28 3fdl h ARG 165 Ca 0.03 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.01 3fdl h ARG 165 Cb 0.46 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 3fdl h ARG 165 CO 0.03 0.54 0.37 0.82 -1.07 0.00 0.00 179.97 180.67 3fdl h ILE 166 N -0.03 1.09 -0.68 2.04 2.04 -0.78 -0.04 117.51 121.14 3fdl h ILE 166 Ca 0.04 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.68 3fdl h ILE 166 Cb 0.44 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 3fdl h ILE 166 CO 0.01 0.14 0.41 0.00 0.00 0.00 0.00 178.15 178.71 3fdl h ALA 167 N 1.25 0.90 -0.40 1.87 0.00 -1.24 0.59 119.26 122.24 3fdl h ALA 167 Ca 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3fdl h ALA 167 Cb -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3fdl h ALA 167 CO -0.09 0.14 0.15 0.00 0.00 0.00 0.00 179.25 179.45 3fdl h ALA 168 N 1.32 0.52 -0.77 0.00 0.00 -0.78 -1.67 119.26 117.89 3fdl h ALA 168 Ca 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3fdl h ALA 168 Cb 0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3fdl h ALA 168 CO -0.14 0.13 0.49 -1.49 0.00 0.00 0.00 179.25 178.25 3fdl h TRP 169 N 0.50 0.98 -0.28 0.00 6.55 -0.32 -1.32 115.95 122.05 3fdl h TRP 169 Ca 0.13 0.02 -0.16 0.00 0.95 0.00 0.00 58.89 59.83 3fdl h TRP 169 Cb 0.21 -0.33 -0.00 0.00 -0.86 0.00 0.00 29.16 28.18 3fdl h TRP 169 CO 0.00 0.63 -0.46 0.52 -1.05 0.00 0.00 178.44 178.08 3fdl h MET 170 N 1.04 0.80 -0.29 0.49 2.86 -0.66 -1.59 114.93 117.59 3fdl h MET 170 Ca 0.28 -0.49 -0.04 0.00 -2.06 0.00 0.00 59.70 57.39 3fdl h MET 170 Cb -0.10 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3fdl h MET 170 CO -0.06 1.12 0.04 0.00 1.06 0.00 0.00 176.91 179.07 3fdl h ALA 171 N 0.67 0.38 -0.83 6.32 0.00 -0.98 0.07 119.26 124.89 3fdl h ALA 171 Ca 0.02 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3fdl h ALA 171 Cb 1.06 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3fdl h ALA 171 CO 0.10 0.08 0.53 1.15 0.00 0.00 0.00 179.25 181.12 3fdl h THR 172 N 0.29 1.12 -0.47 0.00 2.02 -1.29 -0.75 112.91 113.84 3fdl h THR 172 Ca 0.09 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 3fdl h THR 172 Cb 0.36 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 3fdl h THR 172 CO 0.01 0.19 0.20 0.22 0.37 0.00 0.00 175.52 176.50 3fdl h TYR 173 N 1.03 0.70 0.08 3.16 5.03 -0.68 -0.26 116.97 126.02 3fdl h TYR 173 Ca 0.33 -0.05 0.01 0.00 2.58 0.00 0.00 58.73 61.61 3fdl h TYR 173 Cb 0.02 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.07 3fdl h TYR 173 CO -0.03 0.58 -0.15 -0.07 -1.32 0.00 0.00 178.16 177.18 3fdl h LEU 174 N 0.61 -0.41 -0.53 2.82 3.38 -0.71 0.63 115.31 121.11 3fdl h LEU 174 Ca 0.16 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.26 3fdl h LEU 174 Cb 0.17 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 3fdl h LEU 174 CO -0.02 -0.21 0.15 0.78 0.09 0.00 0.00 178.44 179.23 3fdl h ASN 175 N -0.28 0.10 0.00 -0.43 4.21 -0.72 0.63 115.58 119.07 3fdl h ASN 175 Ca 0.03 0.08 -0.03 0.00 1.21 0.00 0.00 56.30 57.59 3fdl h ASN 175 Cb 0.31 0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 37.59 3fdl h ASN 175 CO -0.09 0.08 -1.68 0.47 -1.29 0.00 0.00 177.43 174.92 3fdl n ASP 176 N -5.06 1.75 -0.08 5.81 8.00 -0.14 -4.30 116.55 122.52 3fdl n ASP 176 Ca 0.06 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.43 3fdl n ASP 176 Cb 0.25 1.56 -0.07 0.00 -0.02 0.00 0.00 41.12 42.84 3fdl n ASP 176 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3fdl n HIS 177 N -2.05 0.00 -0.05 1.24 8.25 0.18 -4.85 115.22 117.94 3fdl n HIS 177 Ca -0.05 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.40 3fdl n HIS 177 Cb 0.43 -0.63 -0.12 0.00 1.12 0.00 0.00 29.99 30.79 3fdl n HIS 177 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3fdl n LEU 178 N -3.23 0.00 -0.23 2.41 4.77 -0.98 -4.59 117.00 115.15 3fdl n LEU 178 Ca -0.31 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.69 3fdl n LEU 178 Cb 0.79 0.23 0.14 0.00 -2.33 0.00 0.00 43.42 42.25 3fdl n LEU 178 CO 0.12 0.23 1.02 -0.08 -1.33 0.00 0.00 177.39 177.35 3fdl h GLU 179 N 0.00 0.47 -0.52 3.23 4.57 -1.06 -1.12 114.58 120.15 3fdl h GLU 179 Ca -0.25 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 57.94 3fdl h GLU 179 Cb 1.46 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.91 3fdl h GLU 179 CO 0.01 0.31 0.29 -1.35 -1.18 0.00 0.00 179.01 177.09 3fdl h PRO 180 N 0.48 0.55 -0.58 0.92 0.11 -1.86 0.13 132.00 131.75 3fdl h PRO 180 Ca 0.35 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.38 3fdl h PRO 180 Cb 0.45 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 3fdl h PRO 180 CO -0.32 0.36 0.17 2.35 -0.21 0.00 0.00 178.00 180.35 3fdl h TRP 181 N 0.57 0.96 -0.50 0.65 7.01 -1.75 -0.87 115.95 122.02 3fdl h TRP 181 Ca 0.22 -0.10 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 3fdl h TRP 181 Cb 0.08 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 26.85 3fdl h TRP 181 CO -0.08 0.81 0.19 0.82 -2.79 0.00 0.00 178.44 177.38 3fdl h ILE 182 N 0.83 1.21 -0.43 2.65 2.04 -0.73 -0.96 117.51 122.12 3fdl h ILE 182 Ca 0.19 -0.68 -0.10 0.00 1.00 0.00 0.00 64.86 65.27 3fdl h ILE 182 Cb 0.31 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3fdl h ILE 182 CO -0.00 0.25 -0.14 1.56 0.00 0.00 0.00 178.15 179.82 3fdl h GLN 183 N 0.66 0.79 0.00 2.37 1.08 -0.57 0.12 115.11 119.56 3fdl h GLN 183 Ca 0.16 -0.28 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 3fdl h GLN 183 Cb 0.21 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3fdl h GLN 183 CO -0.01 0.88 -0.07 0.93 -0.95 0.00 0.00 178.83 179.61 3fdl h GLU 184 N 0.71 0.00 -0.55 1.46 5.08 -0.83 -3.09 114.58 117.35 3fdl h GLU 184 Ca 0.11 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.22 3fdl h GLU 184 Cb 0.63 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.73 3fdl h GLU 184 CO 0.04 0.07 0.16 0.09 -1.00 0.00 0.00 179.01 178.37 3fdl n ASN 185 N -3.27 3.24 0.00 1.42 3.02 -0.39 -4.92 115.26 114.35 3fdl n ASN 185 Ca -0.01 -3.58 0.00 0.00 -0.03 0.00 0.00 54.58 50.96 3fdl n ASN 185 Cb 0.28 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 3fdl n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fdl n GLY 186 N -0.95 0.63 1.20 7.41 0.00 -1.14 -4.80 105.19 107.54 3fdl n GLY 186 Ca 0.40 -0.37 0.16 0.00 0.00 0.00 0.00 46.02 46.21 3fdl n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fdl n GLY 187 N -2.66 -1.82 0.25 -0.02 0.00 0.37 -2.85 105.19 98.46 3fdl n GLY 187 Ca 0.00 -1.22 0.07 0.00 0.00 0.00 0.00 46.02 44.87 3fdl n GLY 187 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3fdl h TRP 188 N -1.11 0.00 -0.40 1.61 4.06 -1.93 -1.39 115.95 116.80 3fdl h TRP 188 Ca 0.02 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.03 3fdl h TRP 188 Cb 1.09 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.23 3fdl h TRP 188 CO -2.73 0.07 0.27 -0.44 -3.56 0.00 0.00 178.44 172.05 3fdl h ASP 189 N 0.00 0.24 -0.09 -3.49 3.32 -1.97 -0.55 116.42 113.88 3fdl h ASP 189 Ca -0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 3fdl h ASP 189 Cb 0.12 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3fdl h ASP 189 CO 0.01 0.16 -0.45 0.74 -1.72 0.00 0.00 179.24 177.98 3fdl h THR 190 N 0.28 1.30 -0.81 0.35 2.02 -1.10 -1.76 112.91 113.19 3fdl h THR 190 Ca 0.18 -1.64 -0.00 0.00 0.77 0.00 0.00 66.41 65.71 3fdl h THR 190 Cb 0.35 1.59 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 3fdl h THR 190 CO -0.04 0.52 0.49 0.15 0.37 0.00 0.00 175.52 177.01 3fdl h PHE 191 N 0.51 1.06 -0.23 3.16 3.57 -1.13 0.13 116.94 124.01 3fdl h PHE 191 Ca 0.03 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 3fdl h PHE 191 Cb 0.99 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3fdl h PHE 191 CO 0.05 0.71 0.14 0.28 -2.23 0.00 0.00 178.31 177.25 3fdl h VAL 192 N 1.10 1.10 -0.38 1.41 2.07 -0.84 -2.74 116.25 117.97 3fdl h VAL 192 Ca 0.29 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 3fdl h VAL 192 Cb -0.04 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3fdl h VAL 192 CO -0.05 0.10 0.16 -0.33 0.02 0.00 0.00 177.57 177.46 3fdl h GLU 193 N 0.28 0.57 0.00 1.57 5.08 -1.18 -3.51 114.58 117.39 3fdl h GLU 193 Ca 0.08 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3fdl h GLU 193 Cb 0.04 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3fdl h GLU 193 CO -0.01 0.53 0.00 1.28 -1.00 0.00 0.00 179.01 179.81