#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fdm s PRO -3 N 0.00 2.65 0.31 1.61 0.02 -1.26 -5.01 135.00 133.33 3fdm s PRO -3 Ca 0.00 1.87 -0.28 0.00 0.02 0.00 0.00 61.00 62.61 3fdm s PRO -3 Cb 0.00 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.54 3fdm s PRO -3 CO 0.00 -1.47 1.10 -0.51 -0.33 0.00 0.00 177.00 175.79 3fdm s LEU -2 N -4.43 4.44 0.00 -5.54 1.43 -1.26 -5.07 118.68 108.25 3fdm s LEU -2 Ca 0.78 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 56.12 3fdm s LEU -2 Cb -0.32 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.13 3fdm s LEU -2 CO 0.38 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.31 3fdm n GLY -1 N 0.97 0.88 3.91 -3.19 0.00 -1.26 -5.08 105.19 101.41 3fdm n GLY -1 Ca 0.01 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 3fdm n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fdm s SER 0 N -1.00 6.42 0.53 1.61 1.04 -1.26 -4.96 113.70 116.08 3fdm s SER 0 Ca 0.00 0.42 0.18 0.00 0.48 0.00 0.00 55.95 57.03 3fdm s SER 0 Cb 0.00 -2.02 1.31 0.00 0.10 0.00 0.00 66.02 65.41 3fdm s SER 0 CO 0.00 0.13 2.14 0.24 0.98 0.00 0.00 173.24 176.74 3fdm h MET 1 N 3.08 0.00 -0.45 4.02 2.86 -2.00 -2.55 114.93 119.89 3fdm h MET 1 Ca -0.46 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.05 3fdm h MET 1 Cb 1.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 3fdm h MET 1 CO 0.74 0.00 -0.24 1.03 1.06 0.00 0.00 176.91 179.50 3fdm h SER 2 N 0.00 0.96 -0.39 1.22 0.87 -2.00 -1.84 113.55 112.38 3fdm h SER 2 Ca 0.02 -0.37 -0.07 0.00 -1.23 0.00 0.00 61.79 60.14 3fdm h SER 2 Cb 0.09 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3fdm h SER 2 CO -0.00 1.15 -0.04 1.56 -0.53 0.00 0.00 176.83 178.97 3fdm h GLN 3 N 0.80 0.70 0.00 2.24 4.20 -1.86 -2.61 115.11 118.59 3fdm h GLN 3 Ca 0.10 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.47 3fdm h GLN 3 Cb 0.80 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 3fdm h GLN 3 CO 0.07 0.82 -0.47 0.66 -0.67 0.00 0.00 178.83 179.24 3fdm h SER 4 N 0.52 0.00 -0.50 1.46 4.64 -1.51 -2.17 113.55 116.00 3fdm h SER 4 Ca 0.10 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 3fdm h SER 4 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3fdm h SER 4 CO 0.03 0.47 0.10 0.78 -0.87 0.00 0.00 176.83 177.34 3fdm h ASN 5 N 0.00 0.77 -0.68 4.97 2.35 -1.32 -2.58 115.58 119.09 3fdm h ASN 5 Ca -0.00 -0.25 0.05 0.00 -0.55 0.00 0.00 56.30 55.55 3fdm h ASN 5 Cb 0.97 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 39.09 3fdm h ASN 5 CO 0.06 0.82 0.40 0.03 -1.65 0.00 0.00 177.43 177.09 3fdm h ARG 6 N 0.69 0.74 -0.66 0.81 3.08 -1.20 -2.20 114.38 115.63 3fdm h ARG 6 Ca 0.15 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 3fdm h ARG 6 Cb 0.36 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3fdm h ARG 6 CO 0.01 0.49 0.12 1.49 -1.07 0.00 0.00 179.97 181.00 3fdm h GLU 7 N 0.76 1.08 -0.53 0.04 4.81 -1.29 0.11 114.58 119.56 3fdm h GLU 7 Ca 0.29 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3fdm h GLU 7 Cb 0.12 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3fdm h GLU 7 CO -0.15 0.98 0.25 1.25 -0.73 0.00 0.00 179.01 180.61 3fdm h LEU 8 N 1.01 0.70 -0.20 1.64 6.46 -1.31 -1.36 115.31 122.25 3fdm h LEU 8 Ca 0.20 -0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 57.80 3fdm h LEU 8 Cb 0.42 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 3fdm h LEU 8 CO 0.01 0.64 0.02 0.58 -0.62 0.00 0.00 178.44 179.08 3fdm h VAL 9 N 0.72 1.23 -0.41 1.05 2.07 -0.73 -1.69 116.25 118.49 3fdm h VAL 9 Ca 0.18 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 3fdm h VAL 9 Cb 0.13 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3fdm h VAL 9 CO -0.02 0.24 0.09 0.58 0.02 0.00 0.00 177.57 178.48 3fdm h VAL 10 N 0.13 1.19 -0.18 2.57 2.07 -0.71 -2.16 116.25 119.15 3fdm h VAL 10 Ca 0.06 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3fdm h VAL 10 Cb 0.34 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3fdm h VAL 10 CO 0.01 0.25 0.10 -0.78 0.02 0.00 0.00 177.57 177.16 3fdm h ASP 11 N 0.59 0.23 -0.17 0.57 3.58 -0.80 -0.96 116.42 119.47 3fdm h ASP 11 Ca 0.14 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 3fdm h ASP 11 Cb 0.24 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 3fdm h ASP 11 CO -0.00 0.26 0.04 0.15 -2.88 0.00 0.00 179.24 176.81 3fdm h PHE 12 N 0.19 0.27 -0.81 0.28 3.04 -0.96 -2.84 116.94 116.12 3fdm h PHE 12 Ca 0.06 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 3fdm h PHE 12 Cb 0.08 -0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.47 3fdm h PHE 12 CO -0.04 0.39 0.47 -0.07 -2.02 0.00 0.00 178.31 177.05 3fdm h LEU 13 N 0.08 0.99 -0.47 0.59 3.38 -1.40 -2.25 115.31 116.22 3fdm h LEU 13 Ca 0.05 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.04 3fdm h LEU 13 Cb 0.25 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 3fdm h LEU 13 CO -0.00 0.77 -0.22 0.28 0.09 0.00 0.00 178.44 179.36 3fdm h SER 14 N 1.12 -0.77 0.24 -0.43 0.02 -1.06 0.37 113.55 113.05 3fdm h SER 14 Ca 0.29 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.40 3fdm h SER 14 Cb -0.02 0.41 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3fdm h SER 14 CO -0.05 -0.25 -0.12 0.22 -1.14 0.00 0.00 176.83 175.49 3fdm h TYR 15 N -0.12 -0.30 -0.74 3.45 3.20 -1.22 -1.33 116.97 119.91 3fdm h TYR 15 Ca 0.22 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 3fdm h TYR 15 Cb 0.47 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 3fdm h TYR 15 CO -0.49 -0.18 0.41 0.87 -1.64 0.00 0.00 178.16 177.13 3fdm h LYS 16 N -0.34 1.02 -0.21 1.82 1.79 -1.22 -1.22 116.57 118.21 3fdm h LYS 16 Ca -0.03 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 3fdm h LYS 16 Cb 0.26 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 3fdm h LYS 16 CO 0.06 0.76 0.14 -0.07 -1.08 0.00 0.00 179.45 179.26 3fdm h LEU 17 N 1.01 0.24 -1.70 2.94 3.38 -0.90 -3.06 115.31 117.24 3fdm h LEU 17 Ca 0.26 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 3fdm h LEU 17 Cb 0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3fdm h LEU 17 CO -0.04 0.18 -0.18 0.77 0.09 0.00 0.00 178.44 179.26 3fdm h SER 18 N 0.29 0.00 0.45 -0.43 4.64 -0.69 -0.63 113.55 117.19 3fdm h SER 18 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3fdm h SER 18 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3fdm h SER 18 CO -0.02 0.18 0.00 1.56 -0.87 0.00 0.00 176.83 177.68 3fdm h GLN 19 N 0.00 0.00 -0.51 4.77 4.20 -1.13 -1.93 115.11 120.51 3fdm h GLN 19 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fdm h GLN 19 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3fdm h GLN 19 CO 0.02 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.81 3fdm n LYS 20 N -2.95 2.83 -0.95 1.46 4.76 -0.64 -4.94 118.16 117.73 3fdm n LYS 20 Ca -0.01 -2.33 0.00 0.00 -2.87 0.00 0.00 58.31 53.10 3fdm n LYS 20 Cb 0.17 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 3fdm n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fdm n GLY 21 N 0.99 0.45 3.83 0.72 0.00 -0.73 -5.05 105.19 105.40 3fdm n GLY 21 Ca 0.17 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 3fdm n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fdm s TYR 22 N -2.00 2.74 -0.00 1.61 2.02 -0.34 -4.98 117.35 116.40 3fdm s TYR 22 Ca 0.00 -0.45 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 3fdm s TYR 22 Cb 0.00 -1.98 -0.00 0.00 -0.40 0.00 0.00 41.96 39.58 3fdm s TYR 22 CO 0.00 0.06 -0.01 -1.54 -1.57 0.00 0.00 175.55 172.49 3fdm s SER 23 N -4.03 0.08 0.32 2.29 1.04 -1.26 -2.31 113.70 109.84 3fdm s SER 23 Ca 0.44 -0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.87 3fdm s SER 23 Cb -0.03 -0.01 0.54 0.00 0.10 0.00 0.00 66.02 66.63 3fdm s SER 23 CO 0.26 0.01 1.91 -0.25 0.98 0.00 0.00 173.24 176.14 3fdm h TRP 24 N 6.12 0.74 -2.46 5.02 2.91 -1.90 -3.47 115.95 122.92 3fdm h TRP 24 Ca -0.25 -0.04 0.16 0.00 1.13 0.00 0.00 58.89 59.89 3fdm h TRP 24 Cb 1.21 -0.23 -0.06 0.00 -0.51 0.00 0.00 29.16 29.57 3fdm h TRP 24 CO 0.41 0.59 0.49 -1.54 -1.03 0.00 0.00 178.44 177.35 3fdm s SER 25 N -6.59 -0.12 0.18 2.65 1.04 -1.26 -4.98 113.70 104.63 3fdm s SER 25 Ca -0.09 -0.53 -0.11 0.00 0.48 0.00 0.00 55.95 55.69 3fdm s SER 25 Cb 0.16 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.90 3fdm s SER 25 CO 0.78 -1.00 1.75 -0.61 0.98 0.00 0.00 173.24 175.14 3fdm h GLN 26 N 2.00 0.92 -0.46 4.02 4.15 -1.99 -2.26 115.11 121.49 3fdm h GLN 26 Ca -0.25 -0.15 0.06 0.00 0.77 0.00 0.00 58.65 59.08 3fdm h GLN 26 Cb 1.23 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 28.71 3fdm h GLN 26 CO 0.29 0.76 0.15 1.98 -1.93 0.00 0.00 178.83 180.08 3fdm h MET 83 N 0.87 0.30 -0.67 1.69 4.05 -1.99 -0.28 114.93 118.91 3fdm h MET 83 Ca 0.21 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.59 3fdm h MET 83 Cb 0.16 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 3fdm h MET 83 CO -0.02 0.20 0.31 0.00 0.23 0.00 0.00 176.91 177.63 3fdm h ALA 84 N 1.32 0.87 -0.75 0.39 0.00 -1.89 0.57 119.26 119.75 3fdm h ALA 84 Ca 0.22 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3fdm h ALA 84 Cb 0.24 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3fdm h ALA 84 CO -0.24 0.44 0.46 0.00 0.00 0.00 0.00 179.25 179.91 3fdm h ALA 85 N 1.14 0.96 -0.10 0.00 0.00 -1.22 -0.59 119.26 119.45 3fdm h ALA 85 Ca 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3fdm h ALA 85 Cb 0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3fdm h ALA 85 CO -0.03 0.42 -0.01 0.28 0.00 0.00 0.00 179.25 179.91 3fdm h VAL 86 N 1.03 1.27 -0.56 0.00 2.07 -0.84 -1.99 116.25 117.23 3fdm h VAL 86 Ca 0.27 -0.87 0.11 0.00 0.82 0.00 0.00 66.70 67.02 3fdm h VAL 86 Cb -0.05 1.66 -0.09 0.00 -1.52 0.00 0.00 31.29 31.29 3fdm h VAL 86 CO -0.05 0.25 0.06 0.11 0.02 0.00 0.00 177.57 177.96 3fdm h LYS 87 N -0.12 0.18 -0.27 1.57 1.57 -0.65 -0.27 116.57 118.59 3fdm h LYS 87 Ca 0.03 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3fdm h LYS 87 Cb 0.39 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3fdm h LYS 87 CO 0.01 0.12 -0.02 0.37 -0.57 0.00 0.00 179.45 179.35 3fdm h GLN 88 N 0.18 0.48 -0.72 3.15 5.75 -1.10 -0.23 115.11 122.63 3fdm h GLN 88 Ca 0.29 -0.17 -0.07 0.00 -0.15 0.00 0.00 58.65 58.56 3fdm h GLN 88 Cb 0.43 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 3fdm h GLN 88 CO -0.42 0.67 0.19 0.00 -2.65 0.00 0.00 178.83 176.62 3fdm h ALA 89 N 0.80 0.94 -0.33 3.38 0.00 -1.12 -2.15 119.26 120.78 3fdm h ALA 89 Ca 0.07 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 3fdm h ALA 89 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3fdm h ALA 89 CO 0.02 0.65 -0.33 1.25 0.00 0.00 0.00 179.25 180.84 3fdm h LEU 90 N 1.08 0.87 -0.55 0.00 5.85 -0.89 0.32 115.31 121.99 3fdm h LEU 90 Ca 0.23 -0.47 0.09 0.00 0.84 0.00 0.00 57.88 58.57 3fdm h LEU 90 Cb 0.35 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 3fdm h LEU 90 CO -0.00 1.16 0.13 0.03 -0.34 0.00 0.00 178.44 179.42 3fdm h ARG 91 N 0.60 0.27 -0.27 1.25 3.08 -0.87 0.47 114.38 118.89 3fdm h ARG 91 Ca 0.05 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 3fdm h ARG 91 Cb 0.92 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 3fdm h ARG 91 CO 0.08 0.18 -0.32 0.93 -1.07 0.00 0.00 179.97 179.76 3fdm h GLU 92 N 0.27 0.70 -0.37 0.04 5.08 -1.23 -1.06 114.58 118.02 3fdm h GLU 92 Ca 0.28 -0.39 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3fdm h GLU 92 Cb 0.38 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3fdm h GLU 92 CO -0.34 1.01 0.19 0.00 -1.00 0.00 0.00 179.01 178.87 3fdm h ALA 93 N 0.68 0.46 -0.20 3.43 0.00 -0.14 -2.01 119.26 121.48 3fdm h ALA 93 Ca 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fdm h ALA 93 Cb 0.90 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3fdm h ALA 93 CO 0.08 -0.17 0.11 0.78 0.00 0.00 0.00 179.25 180.05 3fdm h GLY 94 N 0.40 0.30 0.35 0.00 0.00 -0.75 0.24 103.07 103.62 3fdm h GLY 94 Ca 0.15 -0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.43 3fdm h GLY 94 CO -0.10 0.13 0.06 -0.55 0.00 0.00 0.00 176.54 176.08 3fdm h ASP 95 N 0.22 -0.07 0.11 0.19 3.32 -1.06 -1.08 116.42 118.06 3fdm h ASP 95 Ca 0.07 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3fdm h ASP 95 Cb 0.07 0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3fdm h ASP 95 CO -0.01 -0.00 -0.05 -0.08 -1.72 0.00 0.00 179.24 177.37 3fdm h GLU 96 N 0.18 -0.15 -0.58 3.56 4.81 -1.00 -1.22 114.58 120.19 3fdm h GLU 96 Ca 0.23 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.56 3fdm h GLU 96 Cb 0.31 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.65 3fdm h GLU 96 CO -0.33 0.03 0.18 0.35 -0.73 0.00 0.00 179.01 178.51 3fdm h PHE 97 N -0.30 0.31 -0.37 0.92 3.04 -0.38 -0.49 116.94 119.66 3fdm h PHE 97 Ca -0.02 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.87 3fdm h PHE 97 Cb 0.25 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.69 3fdm h PHE 97 CO -0.02 0.05 -0.15 0.93 -2.02 0.00 0.00 178.31 177.10 3fdm h GLU 98 N 0.34 0.67 -0.00 1.11 5.08 -1.13 -0.41 114.58 120.24 3fdm h GLU 98 Ca 0.30 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3fdm h GLU 98 Cb 0.39 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3fdm h GLU 98 CO -0.33 0.79 -0.00 1.25 -1.00 0.00 0.00 179.01 179.72 3fdm h LEU 99 N 0.60 0.00 -0.56 1.33 5.85 -0.75 -2.21 115.31 119.57 3fdm h LEU 99 Ca 0.10 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 3fdm h LEU 99 Cb 0.59 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3fdm h LEU 99 CO 0.04 0.41 0.33 0.03 -0.34 0.00 0.00 178.44 178.91 3fdm h ARG 100 N -0.41 0.77 -0.58 1.25 3.08 -1.06 -3.31 114.38 114.11 3fdm h ARG 100 Ca 0.00 -0.07 -0.40 0.00 0.07 0.00 0.00 59.98 59.57 3fdm h ARG 100 Cb 0.41 -0.16 -0.27 0.00 0.08 0.00 0.00 29.97 30.03 3fdm h ARG 100 CO 0.00 0.56 -0.37 0.66 -1.07 0.00 0.00 179.97 179.75 3fdm n TYR 101 N -4.64 2.03 0.05 3.04 4.02 -0.17 -4.78 117.16 116.71 3fdm n TYR 101 Ca 0.03 -2.09 0.04 0.00 -0.01 0.00 0.00 57.90 55.88 3fdm n TYR 101 Cb 0.06 -0.52 0.44 0.00 -0.02 0.00 0.00 39.34 39.30 3fdm n TYR 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3fdm h ARG 102 N 1.70 0.43 -0.82 -0.72 2.47 -1.49 -1.41 114.38 114.55 3fdm h ARG 102 Ca 0.32 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.97 3fdm h ARG 102 Cb 1.39 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 29.59 3fdm h ARG 102 CO 0.68 0.33 0.39 -0.09 0.56 0.00 0.00 179.97 181.84 3fdm h ARG 103 N 0.44 1.18 -0.63 0.04 2.43 -1.88 0.08 114.38 116.03 3fdm h ARG 103 Ca 0.11 -0.17 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 3fdm h ARG 103 Cb 0.04 -0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 29.32 3fdm h ARG 103 CO -0.02 0.90 0.32 0.00 -1.51 0.00 0.00 179.97 179.67 3fdm h ALA 104 N 1.26 0.83 -0.26 2.80 0.00 -1.65 -0.90 119.26 121.35 3fdm h ALA 104 Ca 0.28 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 3fdm h ALA 104 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3fdm h ALA 104 CO -0.04 -0.03 -0.01 0.74 0.00 0.00 0.00 179.25 179.91 3fdm h PHE 105 N 0.60 0.51 -0.71 0.00 -1.00 -1.09 -2.74 116.94 112.51 3fdm h PHE 105 Ca 0.29 -0.09 0.15 0.00 2.81 0.00 0.00 57.97 61.13 3fdm h PHE 105 Cb 0.22 -0.13 -0.12 0.00 3.61 0.00 0.00 35.95 39.52 3fdm h PHE 105 CO -0.10 0.64 -0.04 1.03 -1.61 0.00 0.00 178.31 178.24 3fdm h SER 106 N 0.24 -0.40 -0.29 2.17 0.87 -0.53 -1.30 113.55 114.30 3fdm h SER 106 Ca 0.07 0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3fdm h SER 106 Cb 0.45 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 3fdm h SER 106 CO 0.02 -0.18 0.18 0.44 -0.53 0.00 0.00 176.83 176.76 3fdm h ASP 107 N 0.08 0.36 0.52 6.23 3.32 -1.11 -3.28 116.42 122.53 3fdm h ASP 107 Ca 0.37 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 3fdm h ASP 107 Cb 0.63 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.09 3fdm h ASP 107 CO -0.64 0.31 -0.25 0.25 -1.72 0.00 0.00 179.24 177.18 3fdm h LEU 108 N 0.37 -0.59 0.00 1.55 5.85 -0.96 -2.85 115.31 118.68 3fdm h LEU 108 Ca 0.11 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3fdm h LEU 108 Cb 0.02 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3fdm h LEU 108 CO -0.02 -0.19 0.00 0.41 -0.34 0.00 0.00 178.44 178.30 3fdm n THR 109 N -5.25 0.00 -0.02 1.05 -1.04 -0.65 -1.99 114.28 106.39 3fdm n THR 109 Ca -0.10 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3fdm n THR 109 Cb 0.31 -0.53 -0.00 0.00 -1.82 0.00 0.00 70.33 68.29 3fdm n THR 109 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3fdm h SER 110 N 0.00 0.00 0.00 8.00 4.64 -1.62 -3.38 113.55 121.19 3fdm h SER 110 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fdm h SER 110 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3fdm h SER 110 CO 0.00 0.17 0.39 0.00 -0.87 0.00 0.00 176.83 176.52 3fdm n GLN 111 N -2.87 0.00 -0.09 4.77 6.02 -0.84 -1.91 117.38 122.45 3fdm n GLN 111 Ca -0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.75 3fdm n GLN 111 Cb 0.02 -1.58 -0.12 0.00 1.02 0.00 0.00 30.24 29.58 3fdm n GLN 111 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3fdm n LEU 112 N -0.79 2.12 -3.20 1.08 4.32 -1.14 -5.04 117.00 114.35 3fdm n LEU 112 Ca 0.00 0.32 -0.12 0.00 -0.02 0.00 0.00 56.01 56.19 3fdm n LEU 112 Cb 0.39 -0.96 0.05 0.00 -1.62 0.00 0.00 43.42 41.29 3fdm n LEU 112 CO 0.00 0.51 0.10 1.41 -1.22 0.00 0.00 177.39 178.19 3fdm n HIS 113 N -4.12 -2.57 -2.06 -1.77 8.25 -0.80 -4.93 115.22 107.23 3fdm n HIS 113 Ca -0.38 0.92 -0.41 0.00 -0.26 0.00 0.00 57.72 57.58 3fdm n HIS 113 Cb 0.82 -4.12 -0.03 0.00 1.12 0.00 0.00 29.99 27.79 3fdm n HIS 113 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3fdm s ILE 114 N -3.30 2.81 0.10 1.59 -4.36 -1.26 -4.94 121.20 111.83 3fdm s ILE 114 Ca 0.36 0.66 -0.00 0.00 -0.26 0.00 0.00 60.65 61.40 3fdm s ILE 114 Cb -0.05 -3.42 -0.04 0.00 1.25 0.00 0.00 42.46 40.20 3fdm s ILE 114 CO 0.74 0.09 -0.00 0.42 0.24 0.00 0.00 174.94 176.43 3fdm s THR 115 N 0.22 0.27 0.39 8.37 -4.23 -1.26 -4.94 115.64 114.46 3fdm s THR 115 Ca 0.60 -1.88 0.12 0.00 -1.18 0.00 0.00 61.69 59.36 3fdm s THR 115 Cb -0.41 -1.78 0.34 0.00 1.34 0.00 0.00 72.50 71.99 3fdm s THR 115 CO 0.40 -0.75 1.89 -0.65 -0.54 0.00 0.00 174.62 174.97 3fdm h PRO 116 N 2.99 0.56 0.00 3.99 0.11 -1.97 1.08 132.00 138.75 3fdm h PRO 116 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3fdm h PRO 116 Cb 1.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3fdm h PRO 116 CO 0.63 0.37 -0.00 0.78 -0.21 0.00 0.00 178.00 179.56 3fdm h GLY 117 N 0.57 0.00 0.00 -0.55 0.00 -2.00 -3.33 103.07 97.76 3fdm h GLY 117 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3fdm h GLY 117 CO -0.17 0.00 -0.57 -1.30 0.00 0.00 0.00 176.54 174.50 3fdm n THR 118 N -2.48 0.00 -0.25 4.70 -2.24 -0.29 -4.74 114.28 108.98 3fdm n THR 118 Ca 0.05 -0.29 0.06 0.00 -2.27 0.00 0.00 64.05 61.60 3fdm n THR 118 Cb 0.46 0.83 0.18 0.00 -2.10 0.00 0.00 70.33 69.70 3fdm n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fdm h ALA 119 N 0.86 0.94 -0.51 6.98 0.00 0.10 -1.19 119.26 126.44 3fdm h ALA 119 Ca 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3fdm h ALA 119 Cb 0.20 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3fdm h ALA 119 CO 0.00 -0.37 -0.02 -0.92 0.00 0.00 0.00 179.25 177.94 3fdm h TYR 120 N 0.22 0.93 -0.40 0.00 3.20 -1.83 -1.22 116.97 117.88 3fdm h TYR 120 Ca 0.42 -0.14 -0.10 0.00 3.14 0.00 0.00 58.73 62.05 3fdm h TYR 120 Cb 0.75 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3fdm h TYR 120 CO -0.30 0.86 -0.15 0.37 -1.64 0.00 0.00 178.16 177.30 3fdm h GLN 121 N 0.80 0.80 0.22 1.82 4.15 -1.61 -1.13 115.11 120.16 3fdm h GLN 121 Ca 0.15 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 3fdm h GLN 121 Cb 0.50 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.16 3fdm h GLN 121 CO 0.03 0.96 -0.11 0.77 -1.93 0.00 0.00 178.83 178.55 3fdm h SER 122 N 0.61 -0.25 -0.18 -0.69 0.02 -1.12 -1.88 113.55 110.05 3fdm h SER 122 Ca 0.09 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.08 3fdm h SER 122 Cb 0.69 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.23 3fdm h SER 122 CO 0.05 -0.15 -0.28 0.15 -1.14 0.00 0.00 176.83 175.46 3fdm h PHE 123 N -0.33 -0.76 -0.86 3.45 3.57 -1.04 -1.72 116.94 119.24 3fdm h PHE 123 Ca -0.03 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.63 3fdm h PHE 123 Cb 0.25 0.36 -0.08 0.00 2.79 0.00 0.00 35.95 39.27 3fdm h PHE 123 CO -0.05 -0.36 0.48 1.49 -2.23 0.00 0.00 178.31 177.64 3fdm h GLU 124 N -0.32 0.73 -0.23 1.11 4.81 -1.19 -0.58 114.58 118.90 3fdm h GLU 124 Ca 0.12 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 3fdm h GLU 124 Cb 0.50 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 3fdm h GLU 124 CO -0.37 0.48 -0.22 1.96 -0.73 0.00 0.00 179.01 180.13 3fdm h GLN 125 N 0.75 0.56 0.06 1.92 4.20 -0.99 -1.11 115.11 120.51 3fdm h GLN 125 Ca 0.44 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 3fdm h GLN 125 Cb 0.52 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3fdm h GLN 125 CO -0.30 0.88 -0.03 0.28 -0.67 0.00 0.00 178.83 178.99 3fdm h VAL 126 N 0.26 1.15 -0.59 -0.54 2.07 -1.08 -2.82 116.25 114.70 3fdm h VAL 126 Ca 0.04 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3fdm h VAL 126 Cb 0.77 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 3fdm h VAL 126 CO 0.06 0.18 0.34 0.58 0.02 0.00 0.00 177.57 178.75 3fdm h VAL 127 N -0.42 1.18 -0.46 2.57 2.07 -1.13 -0.86 116.25 119.21 3fdm h VAL 127 Ca -0.01 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.11 3fdm h VAL 127 Cb 0.37 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3fdm h VAL 127 CO 0.01 0.19 0.27 0.78 0.02 0.00 0.00 177.57 178.84 3fdm h ASN 128 N 0.80 0.43 0.67 0.57 -0.26 -1.26 -2.37 115.58 114.16 3fdm h ASN 128 Ca 0.21 0.01 -0.09 0.00 -0.56 0.00 0.00 56.30 55.86 3fdm h ASN 128 Cb 0.01 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 3fdm h ASN 128 CO -0.04 0.31 -0.44 -0.08 -1.06 0.00 0.00 177.43 176.12 3fdm h GLU 129 N 0.54 0.00 -0.31 0.81 4.57 -1.22 -0.28 114.58 118.69 3fdm h GLU 129 Ca 0.19 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.32 3fdm h GLU 129 Cb 0.02 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3fdm h GLU 129 CO -0.09 0.44 -0.00 1.25 -1.18 0.00 0.00 179.01 179.43 3fdm h LEU 130 N 0.00 0.44 -1.22 1.64 5.85 -0.64 -3.24 115.31 118.13 3fdm h LEU 130 Ca -0.00 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3fdm h LEU 130 Cb 0.89 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.81 3fdm h LEU 130 CO 0.06 0.51 -0.01 0.49 -0.34 0.00 0.00 178.44 179.15 3fdm n PHE 131 N -4.30 0.00 -0.20 1.25 3.72 -1.04 -4.75 117.46 112.14 3fdm n PHE 131 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3fdm n PHE 131 Cb 0.23 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 38.88 3fdm n PHE 131 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3fdm h ARG 132 N 1.34 0.34 -0.62 -1.08 2.43 -1.07 -0.80 114.38 114.92 3fdm h ARG 132 Ca 0.00 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.99 3fdm h ARG 132 Cb 0.29 -0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 29.67 3fdm h ARG 132 CO 0.00 0.22 0.17 -0.40 -1.51 0.00 0.00 179.97 178.46 3fdm n ASP 133 N -5.05 4.58 0.00 -3.80 5.75 -1.26 -5.00 116.55 111.77 3fdm n ASP 133 Ca 0.09 -3.22 0.00 0.00 -0.01 0.00 0.00 54.79 51.65 3fdm n ASP 133 Cb 0.30 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 3fdm n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fdm n GLY 134 N -0.23 4.54 3.80 6.12 0.00 -0.31 -5.10 105.19 114.02 3fdm n GLY 134 Ca 0.36 -1.35 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 3fdm n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fdm s VAL 135 N -2.02 4.88 0.32 1.61 1.01 -1.26 -4.42 120.40 120.53 3fdm s VAL 135 Ca 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 3fdm s VAL 135 Cb 0.00 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.21 3fdm s VAL 135 CO 0.00 0.46 0.55 0.54 0.00 0.00 0.00 175.10 176.65 3fdm s ASN 136 N -1.43 0.40 0.29 3.32 2.20 -1.26 -5.04 114.94 113.42 3fdm s ASN 136 Ca 0.20 -1.23 0.03 0.00 -0.94 0.00 0.00 52.86 50.91 3fdm s ASN 136 Cb -0.12 0.69 0.45 0.00 -2.00 0.00 0.00 41.25 40.27 3fdm s ASN 136 CO 0.10 -1.34 1.76 -0.50 -2.94 0.00 0.00 177.10 174.17 3fdm h TRP 137 N 2.12 0.55 -0.35 1.54 4.06 -1.99 -2.07 115.95 119.80 3fdm h TRP 137 Ca -0.28 -0.10 -0.17 0.00 2.06 0.00 0.00 58.89 60.40 3fdm h TRP 137 Cb 1.25 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 29.26 3fdm h TRP 137 CO 1.13 0.66 -0.43 0.78 -3.56 0.00 0.00 178.44 177.02 3fdm h GLY 138 N 0.98 0.98 1.62 1.49 0.00 -1.99 -2.10 103.07 104.04 3fdm h GLY 138 Ca 0.07 -1.04 -0.09 0.00 0.00 0.00 0.00 47.33 46.28 3fdm h GLY 138 CO 0.04 0.94 -0.22 3.21 0.00 0.00 0.00 176.54 180.50 3fdm h ARG 139 N 0.72 0.44 -0.31 4.80 3.08 -1.91 -1.24 114.38 119.97 3fdm h ARG 139 Ca 0.05 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3fdm h ARG 139 Cb 1.02 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 3fdm h ARG 139 CO 0.10 0.64 0.20 0.82 -1.07 0.00 0.00 179.97 180.66 3fdm h ILE 140 N 0.40 1.07 -0.41 2.04 2.04 -1.27 0.00 117.51 121.39 3fdm h ILE 140 Ca 0.06 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 3fdm h ILE 140 Cb 0.61 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3fdm h ILE 140 CO 0.04 0.07 0.25 0.58 0.00 0.00 0.00 178.15 179.09 3fdm h VAL 141 N 0.41 1.13 -0.68 1.67 2.07 -0.97 -2.39 116.25 117.49 3fdm h VAL 141 Ca 0.11 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 67.39 3fdm h VAL 141 Cb -0.04 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 3fdm h VAL 141 CO -0.03 0.14 0.37 0.00 0.02 0.00 0.00 177.57 178.07 3fdm h ALA 142 N 1.11 0.92 -0.44 1.67 0.00 -1.05 -0.51 119.26 120.96 3fdm h ALA 142 Ca 0.15 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.17 3fdm h ALA 142 Cb 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.60 3fdm h ALA 142 CO -0.03 0.04 -0.08 0.35 0.00 0.00 0.00 179.25 179.53 3fdm h PHE 143 N 0.68 -0.17 0.26 0.00 3.57 -0.68 0.34 116.94 120.93 3fdm h PHE 143 Ca 0.31 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 3fdm h PHE 143 Cb 0.22 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.11 3fdm h PHE 143 CO -0.08 -0.16 -0.12 0.74 -2.23 0.00 0.00 178.31 176.45 3fdm h PHE 144 N 0.03 -0.32 -0.92 0.41 0.04 -0.93 -0.46 116.94 114.79 3fdm h PHE 144 Ca 0.21 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.04 3fdm h PHE 144 Cb 0.33 0.11 -0.06 0.00 2.20 0.00 0.00 35.95 38.52 3fdm h PHE 144 CO -0.35 -0.15 0.60 0.77 -0.60 0.00 0.00 178.31 178.58 3fdm h SER 145 N -0.42 0.93 -0.26 2.17 0.02 -0.84 -0.23 113.55 114.91 3fdm h SER 145 Ca -0.04 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3fdm h SER 145 Cb 0.32 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3fdm h SER 145 CO 0.06 0.60 0.11 0.15 -1.14 0.00 0.00 176.83 176.60 3fdm h PHE 146 N 1.05 0.40 -0.74 3.45 3.57 -0.12 -1.76 116.94 122.80 3fdm h PHE 146 Ca 0.39 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.81 3fdm h PHE 146 Cb 0.18 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3fdm h PHE 146 CO -0.00 0.41 0.28 0.78 -2.23 0.00 0.00 178.31 177.55 3fdm h GLY 147 N 0.28 1.20 0.59 2.40 0.00 -0.20 -1.69 103.07 105.65 3fdm h GLY 147 Ca 0.09 -0.67 0.09 0.00 0.00 0.00 0.00 47.33 46.83 3fdm h GLY 147 CO -0.01 0.63 0.54 -1.33 0.00 0.00 0.00 176.54 176.37 3fdm h GLY 148 N 1.07 1.38 1.30 4.60 0.00 -0.94 -0.67 103.07 109.81 3fdm h GLY 148 Ca 0.24 -0.37 -0.18 0.00 0.00 0.00 0.00 47.33 47.02 3fdm h GLY 148 CO -0.02 0.19 -0.59 0.00 0.00 0.00 0.00 176.54 176.13 3fdm h ALA 149 N 1.46 0.54 -0.95 3.60 0.00 -0.92 -1.13 119.26 121.85 3fdm h ALA 149 Ca 0.41 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3fdm h ALA 149 Cb 0.32 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3fdm h ALA 149 CO -0.22 0.69 0.60 1.25 0.00 0.00 0.00 179.25 181.56 3fdm h LEU 150 N 0.55 1.11 -0.03 0.00 5.85 -1.10 0.16 115.31 121.85 3fdm h LEU 150 Ca 0.00 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3fdm h LEU 150 Cb 1.17 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 3fdm h LEU 150 CO 0.12 0.83 -0.04 0.00 -0.34 0.00 0.00 178.44 179.01 3fdm h VAL 152 N -0.39 0.60 -0.73 0.00 2.07 -1.08 -1.99 116.25 114.72 3fdm h VAL 152 Ca 0.00 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3fdm h VAL 152 Cb 0.56 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3fdm h VAL 152 CO 0.01 0.01 0.48 -0.08 0.02 0.00 0.00 177.57 178.02 3fdm h GLU 153 N 0.07 0.96 -0.65 1.57 4.57 -0.70 -1.10 114.58 119.30 3fdm h GLU 153 Ca 0.23 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.28 3fdm h GLU 153 Cb 0.35 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 3fdm h GLU 153 CO -0.42 0.63 0.11 0.77 -1.18 0.00 0.00 179.01 178.93 3fdm h SER 154 N 0.99 1.01 -0.07 1.04 0.02 -0.67 -2.12 113.55 113.75 3fdm h SER 154 Ca 0.27 -0.23 -0.20 0.00 -0.84 0.00 0.00 61.79 60.78 3fdm h SER 154 Cb -0.11 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.16 3fdm h SER 154 CO -0.06 1.00 -0.70 0.58 -1.14 0.00 0.00 176.83 176.51 3fdm h VAL 155 N 1.00 1.30 -0.57 2.27 2.07 -0.88 0.43 116.25 121.86 3fdm h VAL 155 Ca 0.20 -1.94 0.10 0.00 0.82 0.00 0.00 66.70 65.88 3fdm h VAL 155 Cb 0.42 1.92 -0.08 0.00 -1.52 0.00 0.00 31.29 32.03 3fdm h VAL 155 CO 0.01 0.61 0.14 0.44 0.02 0.00 0.00 177.57 178.79 3fdm h ASP 156 N 0.50 0.05 -0.24 0.57 3.32 -1.09 -1.94 116.42 117.58 3fdm h ASP 156 Ca -0.03 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3fdm h ASP 156 Cb 1.31 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.98 3fdm h ASP 156 CO 0.14 0.04 0.00 0.29 -1.72 0.00 0.00 179.24 177.99 3fdm n LYS 157 N -5.10 2.16 -3.68 3.56 5.02 -0.81 -4.89 118.16 114.42 3fdm n LYS 157 Ca 0.08 -1.13 -0.25 0.00 -2.02 0.00 0.00 58.31 55.00 3fdm n LYS 157 Cb 0.29 -1.56 0.06 0.00 -0.02 0.00 0.00 35.03 33.80 3fdm n LYS 157 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3fdm n GLU 158 N 0.27 -6.96 -2.61 1.97 1.02 -0.73 -4.90 120.64 108.70 3fdm n GLU 158 Ca 0.10 0.75 -0.26 0.00 -0.02 0.00 0.00 57.16 57.74 3fdm n GLU 158 Cb 0.46 -5.73 -0.01 0.00 -0.02 0.00 0.00 31.44 26.15 3fdm n GLU 158 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3fdm n MET 159 N -4.78 3.18 0.07 3.49 2.81 0.15 -4.86 117.12 117.17 3fdm n MET 159 Ca -0.03 -4.47 0.21 0.00 -1.81 0.00 0.00 57.70 51.59 3fdm n MET 159 Cb 0.57 -2.17 0.74 0.00 -0.71 0.00 0.00 33.22 31.65 3fdm n MET 159 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 3fdm h GLN 160 N 2.70 0.00 -0.17 0.03 7.50 -1.87 -1.82 115.11 121.48 3fdm h GLN 160 Ca 0.23 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.43 3fdm h GLN 160 Cb 0.85 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.37 3fdm h GLN 160 CO 0.81 0.00 0.17 -0.39 -1.50 0.00 0.00 178.83 177.92 3fdm h VAL 161 N 0.00 0.58 0.00 -0.54 -1.51 -1.92 -2.27 116.25 110.59 3fdm h VAL 161 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.68 3fdm h VAL 161 Cb 1.12 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 3fdm h VAL 161 CO -0.00 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.52 3fdm n LEU 162 N -3.98 0.73 -0.02 4.19 4.77 -0.68 -3.99 117.00 118.02 3fdm n LEU 162 Ca 0.01 0.61 -0.13 0.00 -0.03 0.00 0.00 56.01 56.47 3fdm n LEU 162 Cb 0.29 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 40.86 3fdm n LEU 162 CO 0.29 -0.33 0.64 0.58 -1.33 0.00 0.00 177.39 177.25 3fdm h VAL 163 N 0.00 1.38 -0.07 4.08 2.07 -1.60 -0.47 116.25 121.65 3fdm h VAL 163 Ca 0.00 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 3fdm h VAL 163 Cb 0.58 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 3fdm h VAL 163 CO 0.00 0.30 -0.29 0.77 0.02 0.00 0.00 177.57 178.37 3fdm h SER 164 N -0.46 0.12 0.04 0.57 4.64 -1.77 -1.57 113.55 115.13 3fdm h SER 164 Ca 0.00 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3fdm h SER 164 Cb 0.49 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3fdm h SER 164 CO 0.00 0.42 -0.02 0.03 -0.87 0.00 0.00 176.83 176.39 3fdm h ARG 165 N 0.11 -0.05 -0.66 4.77 3.08 -1.66 -2.08 114.38 117.89 3fdm h ARG 165 Ca 0.02 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.10 3fdm h ARG 165 Cb 0.58 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 3fdm h ARG 165 CO 0.04 0.10 0.41 0.82 -1.07 0.00 0.00 179.97 180.27 3fdm h ILE 166 N -0.20 1.08 -0.28 2.04 2.04 -0.91 0.33 117.51 121.61 3fdm h ILE 166 Ca -0.01 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.64 3fdm h ILE 166 Cb 0.18 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.41 3fdm h ILE 166 CO 0.01 0.15 -0.12 0.00 0.00 0.00 0.00 178.15 178.18 3fdm h ALA 167 N 1.29 0.11 -0.43 1.87 0.00 -1.25 0.71 119.26 121.56 3fdm h ALA 167 Ca 0.27 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.34 3fdm h ALA 167 Cb 0.02 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3fdm h ALA 167 CO -0.11 -0.52 0.15 0.00 0.00 0.00 0.00 179.25 178.77 3fdm h ALA 168 N 1.16 0.52 -0.42 0.00 0.00 -0.69 0.88 119.26 120.70 3fdm h ALA 168 Ca 0.15 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3fdm h ALA 168 Cb 0.30 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3fdm h ALA 168 CO -0.33 -0.24 -0.11 -1.49 0.00 0.00 0.00 179.25 177.07 3fdm h TRP 169 N 0.31 0.82 -0.30 0.00 6.55 -0.55 -0.21 115.95 122.57 3fdm h TRP 169 Ca 0.20 -0.15 -0.05 0.00 0.95 0.00 0.00 58.89 59.85 3fdm h TRP 169 Cb 0.20 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.28 3fdm h TRP 169 CO -0.16 0.82 -0.01 0.52 -1.05 0.00 0.00 178.44 178.56 3fdm h MET 170 N 0.68 0.54 -0.27 0.49 2.86 -0.59 -2.35 114.93 116.28 3fdm h MET 170 Ca 0.12 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3fdm h MET 170 Cb 0.58 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 3fdm h MET 170 CO 0.04 0.69 0.11 0.00 1.06 0.00 0.00 176.91 178.80 3fdm h ALA 171 N 0.83 0.35 -0.49 6.32 0.00 -0.59 0.85 119.26 126.54 3fdm h ALA 171 Ca 0.08 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3fdm h ALA 171 Cb 0.45 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3fdm h ALA 171 CO 0.02 -0.05 0.17 1.15 0.00 0.00 0.00 179.25 180.54 3fdm h THR 172 N 0.29 0.82 -0.33 0.00 2.02 -1.10 0.77 112.91 115.37 3fdm h THR 172 Ca 0.09 -0.12 -0.10 0.00 0.77 0.00 0.00 66.41 67.05 3fdm h THR 172 Cb 0.19 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3fdm h THR 172 CO -0.01 0.06 -0.21 0.22 0.37 0.00 0.00 175.52 175.96 3fdm h TYR 173 N 0.34 0.71 -0.26 3.16 5.03 -1.18 0.74 116.97 125.50 3fdm h TYR 173 Ca 0.23 -0.15 -0.03 0.00 2.58 0.00 0.00 58.73 61.37 3fdm h TYR 173 Cb 0.25 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 3fdm h TYR 173 CO -0.17 0.79 0.06 1.25 -1.32 0.00 0.00 178.16 178.78 3fdm h LEU 174 N 0.56 0.40 -0.29 2.82 6.46 -0.55 -0.09 115.31 124.62 3fdm h LEU 174 Ca 0.08 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 3fdm h LEU 174 Cb 0.66 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 3fdm h LEU 174 CO 0.05 0.53 0.19 -1.13 -0.62 0.00 0.00 178.44 177.46 3fdm h ASN 175 N 0.25 0.33 0.59 1.25 -0.73 -0.32 0.24 115.58 117.19 3fdm h ASN 175 Ca 0.08 -0.01 -0.26 0.00 1.87 0.00 0.00 56.30 57.98 3fdm h ASN 175 Cb 0.29 -0.08 -0.04 0.00 0.27 0.00 0.00 38.32 38.75 3fdm h ASN 175 CO 0.00 0.24 -1.57 0.44 -0.37 0.00 0.00 177.43 176.17 3fdm h ASP 176 N 0.39 0.00 0.00 1.15 3.32 -0.84 -3.40 116.42 117.04 3fdm h ASP 176 Ca 0.11 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3fdm h ASP 176 Cb -0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3fdm h ASP 176 CO -0.02 0.93 -1.09 1.41 -1.72 0.00 0.00 179.24 178.74 3fdm n HIS 177 N -3.06 0.00 -0.08 4.55 8.25 -0.09 -4.71 115.22 120.08 3fdm n HIS 177 Ca -0.14 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.16 3fdm n HIS 177 Cb 1.00 -0.06 -0.12 0.00 1.12 0.00 0.00 29.99 31.93 3fdm n HIS 177 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3fdm h LEU 178 N -0.01 0.00 -1.18 2.41 4.07 -1.15 -3.29 115.31 116.16 3fdm h LEU 178 Ca -0.04 -0.79 -0.05 0.00 0.08 0.00 0.00 57.88 57.08 3fdm h LEU 178 Cb 1.05 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 3fdm h LEU 178 CO -0.01 1.17 0.03 -0.08 -1.08 0.00 0.00 178.44 178.47 3fdm h GLU 179 N -1.00 0.60 -0.87 1.13 4.81 -0.75 -2.09 114.58 116.40 3fdm h GLU 179 Ca -0.13 -0.13 0.08 0.00 -0.13 0.00 0.00 59.36 59.05 3fdm h GLU 179 Cb 1.08 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.31 3fdm h GLU 179 CO -0.08 0.60 0.53 -1.35 -0.73 0.00 0.00 179.01 177.98 3fdm h PRO 180 N 0.57 0.91 0.05 0.92 0.11 -1.77 0.21 132.00 133.01 3fdm h PRO 180 Ca 0.12 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.19 3fdm h PRO 180 Cb 0.32 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 3fdm h PRO 180 CO 0.01 0.60 -0.12 2.35 -0.21 0.00 0.00 178.00 180.63 3fdm h TRP 181 N 0.94 -0.32 -0.53 0.65 7.01 -1.52 -2.85 115.95 119.33 3fdm h TRP 181 Ca 0.40 0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.49 3fdm h TRP 181 Cb 0.25 0.14 -0.07 0.00 -2.10 0.00 0.00 29.16 27.38 3fdm h TRP 181 CO -0.03 -0.19 0.15 0.82 -2.79 0.00 0.00 178.44 176.40 3fdm h ILE 182 N -0.24 0.76 -0.67 2.65 2.04 -0.86 0.18 117.51 121.37 3fdm h ILE 182 Ca 0.03 -0.11 0.17 0.00 1.00 0.00 0.00 64.86 65.95 3fdm h ILE 182 Cb 0.27 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3fdm h ILE 182 CO -0.09 0.06 0.47 1.56 0.00 0.00 0.00 178.15 180.15 3fdm h GLN 183 N 0.31 0.15 0.00 2.37 4.20 -0.87 0.12 115.11 121.40 3fdm h GLN 183 Ca 0.27 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3fdm h GLN 183 Cb 0.33 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3fdm h GLN 183 CO -0.30 0.10 -0.82 0.39 -0.67 0.00 0.00 178.83 177.53 3fdm n GLU 184 N -4.40 0.17 -1.52 1.46 4.71 0.45 -4.39 120.64 117.13 3fdm n GLU 184 Ca 0.13 0.01 -0.14 0.00 -0.01 0.00 0.00 57.16 57.15 3fdm n GLU 184 Cb 0.63 -1.57 0.09 0.00 -1.01 0.00 0.00 31.44 29.58 3fdm n GLU 184 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3fdm n ASN 185 N -1.80 3.87 0.00 1.62 3.02 -0.21 -4.92 115.26 116.85 3fdm n ASN 185 Ca 0.03 -3.80 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 3fdm n ASN 185 Cb 0.40 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 3fdm n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fdm n GLY 186 N -0.86 2.30 0.00 7.41 0.00 -1.19 -4.94 105.19 107.91 3fdm n GLY 186 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 3fdm n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fdm n GLY 187 N -0.92 -1.05 0.37 -0.02 0.00 0.34 -3.53 105.19 100.37 3fdm n GLY 187 Ca 0.00 -1.64 0.19 0.00 0.00 0.00 0.00 46.02 44.57 3fdm n GLY 187 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3fdm h TRP 188 N 0.00 0.00 -0.06 1.61 4.06 -1.96 -2.18 115.95 117.41 3fdm h TRP 188 Ca 0.00 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 3fdm h TRP 188 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3fdm h TRP 188 CO 0.00 0.00 -0.37 -0.44 -3.56 0.00 0.00 178.44 174.07 3fdm h ASP 189 N 0.00 0.13 -0.30 -3.49 3.32 -1.97 -2.07 116.42 112.03 3fdm h ASP 189 Ca 0.16 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 56.98 3fdm h ASP 189 Cb 0.87 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 3fdm h ASP 189 CO -0.00 0.49 -0.52 0.74 -1.72 0.00 0.00 179.24 178.23 3fdm h THR 190 N 0.11 1.27 -0.18 0.35 2.02 -1.44 -0.74 112.91 114.30 3fdm h THR 190 Ca 0.01 -1.70 0.02 0.00 0.77 0.00 0.00 66.41 65.51 3fdm h THR 190 Cb 0.71 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 3fdm h THR 190 CO 0.05 0.56 0.03 0.15 0.37 0.00 0.00 175.52 176.68 3fdm h PHE 191 N 0.68 0.05 -0.53 3.16 3.57 -1.45 -1.39 116.94 121.03 3fdm h PHE 191 Ca 0.02 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.59 3fdm h PHE 191 Cb 1.13 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.82 3fdm h PHE 191 CO 0.07 0.01 0.24 0.28 -2.23 0.00 0.00 178.31 176.69 3fdm h VAL 192 N 0.10 0.90 0.00 1.41 2.07 -1.16 -0.35 116.25 119.23 3fdm h VAL 192 Ca 0.08 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3fdm h VAL 192 Cb 0.08 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3fdm h VAL 192 CO -0.12 0.08 -0.10 -0.33 0.02 0.00 0.00 177.57 177.13 3fdm h GLU 193 N 0.46 0.00 0.10 1.57 5.08 -0.74 0.21 114.58 121.27 3fdm h GLU 193 Ca 0.24 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.26 3fdm h GLU 193 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3fdm h GLU 193 CO -0.20 0.10 -1.86 -0.07 -1.00 0.00 0.00 179.01 175.98 3fdm h LEU 194 N 0.00 0.34 0.00 1.33 3.38 -0.61 -3.42 115.31 116.32 3fdm h LEU 194 Ca -0.00 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.27 3fdm h LEU 194 Cb 0.46 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3fdm h LEU 194 CO 0.01 1.62 -0.06 -1.22 0.09 0.00 0.00 178.44 178.88 3fdm n TYR 195 N -3.39 0.00 -0.88 1.13 4.02 -0.20 -5.03 117.16 112.81 3fdm n TYR 195 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 3fdm n TYR 195 Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.37 3fdm n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fdm n GLY 196 N 1.06 0.76 0.00 2.72 0.00 0.74 -4.71 105.19 105.77 3fdm n GLY 196 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3fdm n GLY 196 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48