#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfm h ASN 7 N 0.00 0.52 -0.03 4.31 2.35 -2.06 -2.69 115.58 117.98 3gfm h ASN 7 Ca 0.00 -0.39 -0.06 0.00 -0.55 0.00 0.00 56.30 55.31 3gfm h ASN 7 Cb 0.00 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3gfm h ASN 7 CO 0.00 1.16 -0.14 0.03 -1.65 0.00 0.00 177.43 176.84 3gfm h ARG 8 N 0.25 0.34 -0.11 0.81 3.08 -2.06 -0.59 114.38 116.09 3gfm h ARG 8 Ca -0.06 -0.09 -0.18 0.00 0.07 0.00 0.00 59.98 59.72 3gfm h ARG 8 Cb 1.48 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 31.49 3gfm h ARG 8 CO 0.15 0.48 -0.65 0.82 -1.07 0.00 0.00 179.97 179.70 3gfm h ILE 9 N 0.32 1.33 -0.40 2.04 2.04 -2.01 -3.18 117.51 117.65 3gfm h ILE 9 Ca 0.06 -1.92 -0.02 0.00 1.00 0.00 0.00 64.86 63.98 3gfm h ILE 9 Cb 0.44 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 3gfm h ILE 9 CO 0.03 0.59 0.16 1.56 0.00 0.00 0.00 178.15 180.48 3gfm h GLN 10 N 0.29 0.56 -0.31 2.37 4.20 -1.10 -1.82 115.11 119.30 3gfm h GLN 10 Ca -0.05 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 3gfm h GLN 10 Cb 1.29 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 3gfm h GLN 10 CO 0.13 0.47 0.19 0.82 -0.67 0.00 0.00 178.83 179.77 3gfm h ILE 11 N 0.56 1.12 -0.32 2.54 1.08 -1.12 0.55 117.51 121.92 3gfm h ILE 11 Ca 0.14 -0.28 -0.18 0.00 -0.39 0.00 0.00 64.86 64.15 3gfm h ILE 11 Cb 0.12 0.73 -0.00 0.00 -3.07 0.00 0.00 36.82 34.60 3gfm h ILE 11 CO -0.01 0.12 -0.48 0.24 -0.69 0.00 0.00 178.15 177.32 3gfm h MET 12 N 0.40 0.89 -0.11 2.37 2.86 -1.46 -1.58 114.93 118.30 3gfm h MET 12 Ca 0.11 -0.53 -0.12 0.00 -2.06 0.00 0.00 59.70 57.10 3gfm h MET 12 Cb 0.02 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3gfm h MET 12 CO -0.02 1.17 -0.46 0.66 1.06 0.00 0.00 176.91 179.32 3gfm h SER 13 N 0.69 0.28 -0.33 1.22 4.64 -1.26 -0.95 113.55 117.84 3gfm h SER 13 Ca 0.03 -0.13 -0.16 0.00 -0.47 0.00 0.00 61.79 61.05 3gfm h SER 13 Cb 1.09 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3gfm h SER 13 CO 0.11 0.71 -0.43 0.74 -0.87 0.00 0.00 176.83 177.09 3gfm h THR 14 N 0.22 1.27 -0.86 2.95 2.02 -0.84 -0.83 112.91 116.84 3gfm h THR 14 Ca 0.01 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.59 3gfm h THR 14 Cb 0.90 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.73 3gfm h THR 14 CO 0.07 0.53 0.55 0.40 0.37 0.00 0.00 175.52 177.45 3gfm h ILE 15 N 0.72 1.23 -0.35 3.11 2.04 -0.97 0.09 117.51 123.37 3gfm h ILE 15 Ca 0.05 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 3gfm h ILE 15 Cb 1.02 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3gfm h ILE 15 CO 0.10 0.23 0.01 0.00 0.00 0.00 0.00 178.15 178.49 3gfm h ALA 16 N 1.30 0.47 -0.73 1.87 0.00 -0.90 -1.71 119.26 119.56 3gfm h ALA 16 Ca 0.31 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3gfm h ALA 16 Cb -0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3gfm h ALA 16 CO -0.06 0.22 0.24 0.87 0.00 0.00 0.00 179.25 180.52 3gfm h LYS 17 N 0.43 1.12 -0.06 0.00 1.57 -0.78 -2.00 116.57 116.84 3gfm h LYS 17 Ca 0.10 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3gfm h LYS 17 Cb 0.44 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3gfm h LYS 17 CO 0.02 0.94 0.04 0.82 -0.57 0.00 0.00 179.45 180.69 3gfm h ILE 18 N 1.08 1.06 -0.46 1.86 2.04 -0.83 -2.26 117.51 120.01 3gfm h ILE 18 Ca 0.24 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.98 3gfm h ILE 18 Cb 0.28 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 3gfm h ILE 18 CO -0.01 0.06 0.17 0.22 0.00 0.00 0.00 178.15 178.58 3gfm h TYR 19 N 0.03 0.30 -0.61 1.37 3.20 -1.04 0.24 116.97 120.45 3gfm h TYR 19 Ca 0.02 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.92 3gfm h TYR 19 Cb 0.06 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 3gfm h TYR 19 CO -0.05 0.11 0.40 0.00 -1.64 0.00 0.00 178.16 176.98 3gfm h ARG 20 N 0.34 0.81 -0.40 1.82 3.08 -1.19 0.22 114.38 119.06 3gfm h ARG 20 Ca 0.22 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.11 3gfm h ARG 20 Cb 0.21 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3gfm h ARG 20 CO -0.22 0.54 -0.16 0.00 -1.07 0.00 0.00 179.97 179.05 3gfm h ALA 21 N 1.22 0.56 -0.11 0.04 0.00 -1.08 -2.20 119.26 117.68 3gfm h ALA 21 Ca 0.22 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3gfm h ALA 21 Cb -0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3gfm h ALA 21 CO -0.05 0.48 0.03 0.52 0.00 0.00 0.00 179.25 180.24 3gfm h MET 22 N 0.62 0.18 -0.92 0.00 2.86 -0.67 -1.46 114.93 115.54 3gfm h MET 22 Ca 0.09 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.75 3gfm h MET 22 Cb 0.71 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.29 3gfm h MET 22 CO 0.05 0.33 0.60 0.66 1.06 0.00 0.00 176.91 179.61 3gfm h SER 23 N -0.01 0.95 -0.21 1.22 4.64 -0.55 0.27 113.55 119.86 3gfm h SER 23 Ca 0.04 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 3gfm h SER 23 Cb 0.23 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3gfm h SER 23 CO -0.00 0.62 -0.01 -0.09 -0.87 0.00 0.00 176.83 176.48 3gfm h ARG 24 N 1.08 0.37 -0.29 4.77 2.43 -1.21 -1.53 114.38 120.01 3gfm h ARG 24 Ca 0.38 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 59.30 3gfm h ARG 24 Cb 0.13 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3gfm h ARG 24 CO -0.13 0.58 -0.34 1.49 -1.51 0.00 0.00 179.97 180.06 3gfm h GLU 25 N 0.12 0.64 -0.53 0.20 4.57 -0.70 -2.78 114.58 116.10 3gfm h GLU 25 Ca 0.06 -0.30 -0.08 0.00 -1.18 0.00 0.00 59.36 57.86 3gfm h GLU 25 Cb 0.42 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 3gfm h GLU 25 CO 0.01 0.89 -0.00 -0.07 -1.18 0.00 0.00 179.01 178.66 3gfm h LEU 26 N 0.54 0.87 -1.00 1.64 3.38 -0.42 -0.34 115.31 119.97 3gfm h LEU 26 Ca 0.06 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3gfm h LEU 26 Cb 0.84 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3gfm h LEU 26 CO 0.07 0.93 0.20 0.78 0.09 0.00 0.00 178.44 180.51 3gfm h ASN 27 N 0.83 0.85 0.22 -0.43 4.21 -1.17 0.26 115.58 120.34 3gfm h ASN 27 Ca 0.16 -0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 3gfm h ASN 27 Cb 0.50 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 3gfm h ASN 27 CO 0.02 0.80 -0.10 -0.09 -1.29 0.00 0.00 177.43 176.77 3gfm h ARG 28 N 0.90 -0.28 -0.44 0.81 2.43 -1.13 -2.14 114.38 114.53 3gfm h ARG 28 Ca 0.20 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 3gfm h ARG 28 Cb 0.25 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3gfm h ARG 28 CO -0.01 0.04 -0.14 0.00 -1.51 0.00 0.00 179.97 178.35 3gfm h ARG 29 N -0.61 0.82 0.00 0.20 3.08 -0.95 -2.45 114.38 114.46 3gfm h ARG 29 Ca -0.03 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.73 3gfm h ARG 29 Cb 0.44 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3gfm h ARG 29 CO 0.05 0.91 0.00 -0.07 -1.07 0.00 0.00 179.97 179.79 3gfm h LEU 30 N 0.73 0.00 -2.06 3.04 3.38 -0.53 -3.04 115.31 116.83 3gfm h LEU 30 Ca 0.12 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.17 3gfm h LEU 30 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3gfm h LEU 30 CO 0.04 0.00 0.21 1.23 0.09 0.00 0.00 178.44 180.02 3gfm h GLY 31 N 2.44 0.00 2.00 0.83 0.00 -0.87 0.89 103.07 108.36 3gfm h GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gfm h GLY 31 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.37 3gfm h GLU 32 N 0.00 0.00 -0.67 4.80 5.08 -1.69 -1.09 114.58 121.01 3gfm h GLU 32 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3gfm h GLU 32 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3gfm h GLU 32 CO -0.00 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.29 3gfm n LEU 33 N -2.71 3.74 -1.57 1.33 4.77 0.25 -4.92 117.00 117.90 3gfm n LEU 33 Ca 0.02 -1.84 -0.14 0.00 -0.03 0.00 0.00 56.01 54.01 3gfm n LEU 33 Cb 0.30 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 3gfm n LEU 33 CO 0.25 0.92 -0.18 0.59 -1.33 0.00 0.00 177.39 177.64 3gfm n ASN 34 N 1.56 -4.46 -4.30 -1.43 4.13 -0.41 -5.00 115.26 105.34 3gfm n ASN 34 Ca 0.23 0.04 -0.21 0.00 1.68 0.00 0.00 54.58 56.33 3gfm n ASN 34 Cb 0.60 -3.56 -0.11 0.00 -1.54 0.00 0.00 39.78 35.16 3gfm n ASN 34 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3gfm s LEU 35 N -4.03 2.41 0.42 3.41 1.43 -0.88 -5.00 118.68 116.44 3gfm s LEU 35 Ca 0.00 -0.83 0.08 0.00 -1.03 0.00 0.00 54.13 52.35 3gfm s LEU 35 Cb 0.00 -0.74 -0.00 0.00 0.03 0.00 0.00 46.19 45.48 3gfm s LEU 35 CO 0.00 -0.06 0.50 -0.94 0.23 0.00 0.00 176.35 176.08 3gfm s SER 36 N -2.52 5.47 0.23 2.29 1.04 -1.26 -2.92 113.70 116.02 3gfm s SER 36 Ca 0.13 -0.52 -0.08 0.00 0.48 0.00 0.00 55.95 55.96 3gfm s SER 36 Cb -0.06 -0.65 0.23 0.00 0.10 0.00 0.00 66.02 65.64 3gfm s SER 36 CO 0.05 -0.71 1.88 0.22 0.98 0.00 0.00 173.24 175.66 3gfm h TYR 37 N 0.78 1.01 -0.53 5.02 3.20 -1.87 -1.79 116.97 122.79 3gfm h TYR 37 Ca -0.41 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.44 3gfm h TYR 37 Cb 1.27 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 3gfm h TYR 37 CO 0.44 0.60 0.15 1.25 -1.64 0.00 0.00 178.16 178.96 3gfm h LEU 38 N 1.06 0.78 -0.72 2.82 5.85 -1.98 -1.44 115.31 121.70 3gfm h LEU 38 Ca 0.32 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3gfm h LEU 38 Cb -0.04 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 3gfm h LEU 38 CO -0.10 0.80 0.42 0.44 -0.34 0.00 0.00 178.44 179.66 3gfm h ASP 39 N 0.73 0.65 -0.90 1.25 3.32 -1.81 -0.56 116.42 119.10 3gfm h ASP 39 Ca 0.17 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3gfm h ASP 39 Cb 0.30 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 3gfm h ASP 39 CO -0.00 0.43 0.53 0.15 -1.72 0.00 0.00 179.24 178.63 3gfm h PHE 40 N 0.79 1.20 -0.59 4.55 3.57 -1.02 -1.83 116.94 123.61 3gfm h PHE 40 Ca 0.31 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 3gfm h PHE 40 Cb 0.14 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 3gfm h PHE 40 CO -0.06 0.81 0.13 -0.07 -2.23 0.00 0.00 178.31 176.88 3gfm h LEU 41 N 1.25 0.88 -0.75 0.59 3.38 -0.06 0.12 115.31 120.72 3gfm h LEU 41 Ca 0.32 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3gfm h LEU 41 Cb -0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3gfm h LEU 41 CO -0.06 0.87 0.12 0.58 0.09 0.00 0.00 178.44 180.04 3gfm h VAL 42 N 0.89 1.26 -0.50 1.22 2.07 -0.65 -0.46 116.25 120.08 3gfm h VAL 42 Ca 0.19 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.60 3gfm h VAL 42 Cb 0.35 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3gfm h VAL 42 CO 0.00 0.38 -0.10 -0.07 0.02 0.00 0.00 177.57 177.80 3gfm h LEU 43 N 1.00 0.96 -0.64 2.57 3.38 -0.81 -1.72 115.31 120.05 3gfm h LEU 43 Ca 0.20 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3gfm h LEU 43 Cb 0.41 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3gfm h LEU 43 CO 0.01 1.09 0.30 -0.09 0.09 0.00 0.00 178.44 179.84 3gfm h ARG 44 N 0.82 0.93 -0.50 1.13 1.12 -0.41 0.10 114.38 117.57 3gfm h ARG 44 Ca 0.13 -0.14 -0.10 0.00 -1.11 0.00 0.00 59.98 58.76 3gfm h ARG 44 Cb 0.65 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 30.43 3gfm h ARG 44 CO 0.05 0.75 -0.08 0.00 -3.11 0.00 0.00 179.97 177.57 3gfm h ALA 45 N 1.13 0.90 -0.00 2.80 0.00 -0.98 -3.10 119.26 120.01 3gfm h ALA 45 Ca 0.22 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gfm h ALA 45 Cb 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gfm h ALA 45 CO -0.03 0.64 -0.34 0.25 0.00 0.00 0.00 179.25 179.77 3gfm n THR 46 N -4.16 0.00 0.30 0.00 -2.24 -0.66 -4.07 114.28 103.45 3gfm n THR 46 Ca 0.02 -0.02 0.19 0.00 -2.27 0.00 0.00 64.05 61.96 3gfm n THR 46 Cb 0.37 0.10 0.92 0.00 -2.10 0.00 0.00 70.33 69.63 3gfm n THR 46 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3gfm h SER 47 N 0.21 0.00 -0.23 3.42 4.64 -0.89 -2.72 113.55 117.99 3gfm h SER 47 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gfm h SER 47 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3gfm h SER 47 CO 0.00 0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.08 3gfm n ASP 48 N -3.20 2.55 0.00 4.97 5.68 -1.26 -5.06 116.55 120.24 3gfm n ASP 48 Ca -0.01 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 3gfm n ASP 48 Cb 0.19 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 3gfm n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gfm n GLY 49 N 0.40 3.82 3.76 6.12 0.00 -1.02 -5.13 105.19 113.14 3gfm n GLY 49 Ca 0.09 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 3gfm n GLY 49 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gfm n PRO 50 N -1.25 2.42 -4.43 1.61 -0.02 -1.26 -4.28 135.00 127.78 3gfm n PRO 50 Ca 0.00 0.85 -0.23 0.00 -2.02 0.00 0.00 63.50 62.10 3gfm n PRO 50 Cb 0.00 -2.61 -0.13 0.00 -0.02 0.00 0.00 33.50 30.73 3gfm n PRO 50 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3gfm s LYS 51 N -2.24 1.17 0.52 -0.52 -0.14 -0.58 -4.85 119.74 113.10 3gfm s LYS 51 Ca 0.57 -0.99 -0.17 0.00 -1.36 0.00 0.00 55.97 54.02 3gfm s LYS 51 Cb -0.47 -1.32 -0.07 0.00 -1.68 0.00 0.00 37.83 34.29 3gfm s LYS 51 CO 0.61 0.32 1.00 0.95 -0.76 0.00 0.00 175.35 177.47 3gfm s THR 52 N -0.97 4.32 0.36 2.17 -4.23 -1.26 -0.15 115.64 115.88 3gfm s THR 52 Ca 0.05 1.16 0.09 0.00 -1.18 0.00 0.00 61.69 61.81 3gfm s THR 52 Cb -0.09 -3.62 0.12 0.00 1.34 0.00 0.00 72.50 70.25 3gfm s THR 52 CO 0.03 -0.59 1.86 0.24 -0.54 0.00 0.00 174.62 175.61 3gfm h MET 53 N 0.94 0.21 -0.42 3.99 2.86 -1.97 -2.23 114.93 118.31 3gfm h MET 53 Ca -0.47 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.08 3gfm h MET 53 Cb 1.19 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.81 3gfm h MET 53 CO 0.60 0.43 0.18 0.00 1.06 0.00 0.00 176.91 179.19 3gfm h ALA 54 N 1.58 0.55 -0.53 6.32 0.00 -1.94 -2.07 119.26 123.16 3gfm h ALA 54 Ca 0.03 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3gfm h ALA 54 Cb 0.50 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3gfm h ALA 54 CO 0.03 0.14 0.34 -0.92 0.00 0.00 0.00 179.25 178.84 3gfm h TYR 55 N 0.54 0.64 -0.48 0.00 3.20 -1.82 -1.59 116.97 117.45 3gfm h TYR 55 Ca 0.14 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.06 3gfm h TYR 55 Cb 0.17 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3gfm h TYR 55 CO -0.00 0.38 0.28 -0.07 -1.64 0.00 0.00 178.16 177.11 3gfm h LEU 56 N 0.68 0.44 -0.49 2.82 3.38 -1.12 0.18 115.31 121.20 3gfm h LEU 56 Ca 0.21 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 3gfm h LEU 56 Cb -0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3gfm h LEU 56 CO -0.07 0.31 -0.03 0.00 0.09 0.00 0.00 178.44 178.74 3gfm h ALA 57 N 1.22 0.66 -0.00 1.53 0.00 -1.15 -2.90 119.26 118.61 3gfm h ALA 57 Ca 0.20 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3gfm h ALA 57 Cb 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3gfm h ALA 57 CO -0.10 0.49 -0.00 -0.97 0.00 0.00 0.00 179.25 178.67 3gfm h ASN 58 N 0.73 0.00 -1.00 0.00 -0.73 -1.03 -1.03 115.58 112.52 3gfm h ASN 58 Ca 0.13 -0.54 0.05 0.00 1.87 0.00 0.00 56.30 57.82 3gfm h ASN 58 Cb 0.55 -0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.08 3gfm h ASN 58 CO 0.03 0.54 0.65 -0.09 -0.37 0.00 0.00 177.43 178.19 3gfm h ARG 59 N -0.54 1.19 -0.52 6.67 9.65 -0.72 -2.71 114.38 127.41 3gfm h ARG 59 Ca 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3gfm h ARG 59 Cb 0.54 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 3gfm h ARG 59 CO 0.00 0.78 0.00 0.66 2.80 0.00 0.00 179.97 184.21 3gfm n TYR 60 N -4.47 1.18 -3.75 2.20 4.01 -1.10 -5.00 117.16 110.23 3gfm n TYR 60 Ca 0.14 -0.64 -0.31 0.00 -0.16 0.00 0.00 57.90 56.94 3gfm n TYR 60 Cb 0.14 -0.21 0.02 0.00 -0.31 0.00 0.00 39.34 38.98 3gfm n TYR 60 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3gfm n PHE 61 N 0.70 -1.91 -4.15 -0.72 7.35 -0.74 -5.00 117.46 112.99 3gfm n PHE 61 Ca 0.22 0.51 -0.10 0.00 -0.76 0.00 0.00 57.45 57.32 3gfm n PHE 61 Cb 0.80 -3.16 -0.10 0.00 0.35 0.00 0.00 39.48 37.37 3gfm n PHE 61 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3gfm s VAL 62 N -3.32 0.41 0.75 -2.13 -7.23 -0.47 -5.05 120.40 103.37 3gfm s VAL 62 Ca 0.32 -1.90 -0.11 0.00 -1.81 0.00 0.00 61.98 58.48 3gfm s VAL 62 Cb -0.14 -1.79 0.04 0.00 0.56 0.00 0.00 36.38 35.06 3gfm s VAL 62 CO 0.89 -0.76 1.09 0.42 -0.31 0.00 0.00 175.10 176.43 3gfm s THR 63 N -3.81 3.39 0.31 5.32 -4.23 -1.26 -4.55 115.64 110.80 3gfm s THR 63 Ca 0.15 0.48 0.14 0.00 -1.18 0.00 0.00 61.69 61.28 3gfm s THR 63 Cb 0.07 -2.99 0.08 0.00 1.34 0.00 0.00 72.50 71.00 3gfm s THR 63 CO -0.04 -0.56 1.77 1.56 -0.54 0.00 0.00 174.62 176.82 3gfm h GLN 64 N -0.91 0.00 -0.08 3.99 1.08 -1.95 -2.01 115.11 115.23 3gfm h GLN 64 Ca -0.44 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.62 3gfm h GLN 64 Cb 1.23 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.65 3gfm h GLN 64 CO 0.52 0.42 -0.59 0.66 -0.95 0.00 0.00 178.83 178.89 3gfm h SER 65 N 0.00 0.29 -0.28 1.46 4.64 -1.98 0.61 113.55 118.29 3gfm h SER 65 Ca -0.00 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.10 3gfm h SER 65 Cb 0.79 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3gfm h SER 65 CO 0.05 0.81 -0.05 0.00 -0.87 0.00 0.00 176.83 176.78 3gfm h ALA 66 N 1.19 0.39 -0.50 5.18 0.00 -1.79 -0.88 119.26 122.84 3gfm h ALA 66 Ca -0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3gfm h ALA 66 Cb 1.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3gfm h ALA 66 CO 0.09 0.19 -0.06 0.82 0.00 0.00 0.00 179.25 180.28 3gfm h ILE 67 N 0.30 1.27 -0.87 0.00 1.08 -1.26 -0.66 117.51 117.36 3gfm h ILE 67 Ca 0.07 -1.18 0.02 0.00 -0.39 0.00 0.00 64.86 63.38 3gfm h ILE 67 Cb 0.52 1.01 -0.05 0.00 -3.07 0.00 0.00 36.82 35.23 3gfm h ILE 67 CO 0.02 0.41 0.57 0.74 -0.69 0.00 0.00 178.15 179.21 3gfm h THR 68 N 0.79 1.19 -0.37 -0.27 2.02 -0.78 0.29 112.91 115.78 3gfm h THR 68 Ca 0.13 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 3gfm h THR 68 Cb 0.61 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3gfm h THR 68 CO 0.04 0.21 0.09 0.00 0.37 0.00 0.00 175.52 176.23 3gfm h ALA 69 N 1.34 0.49 -0.46 6.16 0.00 -0.85 -0.91 119.26 125.04 3gfm h ALA 69 Ca 0.33 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3gfm h ALA 69 Cb -0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3gfm h ALA 69 CO -0.09 0.17 -0.03 1.03 0.00 0.00 0.00 179.25 180.33 3gfm h SER 70 N 0.46 0.82 -0.56 0.00 0.87 -0.55 -2.44 113.55 112.15 3gfm h SER 70 Ca 0.12 -0.32 -0.10 0.00 -1.23 0.00 0.00 61.79 60.26 3gfm h SER 70 Cb 0.31 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 3gfm h SER 70 CO 0.00 0.95 -0.02 0.58 -0.53 0.00 0.00 176.83 177.81 3gfm h VAL 71 N 0.68 1.27 -0.64 2.23 2.07 -0.37 -0.37 116.25 121.12 3gfm h VAL 71 Ca 0.13 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.50 3gfm h VAL 71 Cb 0.55 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3gfm h VAL 71 CO 0.03 0.41 0.42 0.44 0.02 0.00 0.00 177.57 178.90 3gfm h ASP 72 N 0.89 0.73 0.11 0.57 5.19 -1.12 0.98 116.42 123.77 3gfm h ASP 72 Ca 0.16 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 3gfm h ASP 72 Cb 0.57 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.90 3gfm h ASP 72 CO 0.03 0.52 -0.05 0.50 -3.12 0.00 0.00 179.24 177.12 3gfm h LYS 73 N 0.86 -0.14 -0.62 3.56 3.64 -1.23 -1.20 116.57 121.43 3gfm h LYS 73 Ca 0.24 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 3gfm h LYS 73 Cb -0.09 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3gfm h LYS 73 CO -0.06 0.08 0.41 -0.07 -2.27 0.00 0.00 179.45 177.54 3gfm h LEU 74 N -0.35 0.64 -0.27 5.20 3.38 -0.82 -0.19 115.31 122.91 3gfm h LEU 74 Ca -0.02 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3gfm h LEU 74 Cb 0.29 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3gfm h LEU 74 CO 0.03 0.45 -0.04 -0.08 0.09 0.00 0.00 178.44 178.88 3gfm h GLU 75 N 0.75 0.49 -0.44 1.13 4.81 -0.63 0.44 114.58 121.12 3gfm h GLU 75 Ca 0.25 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3gfm h GLU 75 Cb 0.05 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3gfm h GLU 75 CO -0.07 0.69 0.17 1.49 -0.73 0.00 0.00 179.01 180.56 3gfm h GLU 76 N 0.26 0.63 0.00 1.92 4.57 -0.31 -0.74 114.58 120.90 3gfm h GLU 76 Ca 0.07 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3gfm h GLU 76 Cb 0.49 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3gfm h GLU 76 CO 0.02 0.53 0.00 -1.33 -1.18 0.00 0.00 179.01 177.05 3gfm n MET 77 N -4.36 0.73 -1.59 1.92 2.81 -0.17 -4.90 117.12 111.56 3gfm n MET 77 Ca 0.03 0.01 -0.09 0.00 -1.81 0.00 0.00 57.70 55.84 3gfm n MET 77 Cb 0.16 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.14 3gfm n MET 77 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gfm n GLY 78 N 0.94 0.69 0.05 3.03 0.00 -0.29 -4.93 105.19 104.68 3gfm n GLY 78 Ca 0.19 -0.59 0.11 0.00 0.00 0.00 0.00 46.02 45.73 3gfm n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gfm n LEU 79 N -1.12 0.30 -3.99 0.99 4.77 0.09 -4.28 117.00 113.76 3gfm n LEU 79 Ca -0.10 0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 55.91 3gfm n LEU 79 Cb 0.40 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 3gfm n LEU 79 CO 0.13 -0.05 -0.15 0.68 -1.33 0.00 0.00 177.39 176.68 3gfm s VAL 80 N -3.44 0.11 0.05 4.08 -7.23 -1.20 -1.30 120.40 111.48 3gfm s VAL 80 Ca -0.05 -1.50 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 3gfm s VAL 80 Cb 0.12 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.32 3gfm s VAL 80 CO 0.87 -0.52 -0.05 0.68 -0.31 0.00 0.00 175.10 175.76 3gfm s VAL 81 N -3.95 0.38 -0.29 1.32 -7.23 0.40 -4.22 120.40 106.81 3gfm s VAL 81 Ca 0.14 -1.27 -0.16 0.00 -1.81 0.00 0.00 61.98 58.88 3gfm s VAL 81 Cb 0.05 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 36.16 3gfm s VAL 81 CO -0.04 -0.59 0.43 -0.13 -0.31 0.00 0.00 175.10 174.46 3gfm s ARG 82 N -2.25 3.90 -0.15 4.82 0.52 -1.26 -0.69 118.95 123.84 3gfm s ARG 82 Ca -0.06 0.01 -0.06 0.00 -0.52 0.00 0.00 55.73 55.10 3gfm s ARG 82 Cb -0.05 -3.70 -0.04 0.00 0.52 0.00 0.00 34.95 31.68 3gfm s ARG 82 CO -0.02 -0.39 0.06 0.14 0.02 0.00 0.00 175.30 175.10 3gfm s VAL 83 N 2.18 4.75 0.08 3.52 -7.23 0.44 -4.95 120.40 119.19 3gfm s VAL 83 Ca 0.17 -0.06 0.05 0.00 -1.81 0.00 0.00 61.98 60.33 3gfm s VAL 83 Cb -0.16 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.65 3gfm s VAL 83 CO 0.11 0.52 -0.05 -0.13 -0.31 0.00 0.00 175.10 175.24 3gfm s ARG 84 N -0.11 2.41 0.48 4.82 0.52 -1.26 -1.69 118.95 124.12 3gfm s ARG 84 Ca 0.07 -0.88 -0.23 0.00 -0.52 0.00 0.00 55.73 54.17 3gfm s ARG 84 Cb -0.12 -2.46 -0.07 0.00 0.52 0.00 0.00 34.95 32.83 3gfm s ARG 84 CO 0.01 0.54 1.26 0.34 0.02 0.00 0.00 175.30 177.48 3gfm s ASP 85 N -2.09 5.87 0.45 0.23 2.15 -1.13 -4.89 116.67 117.25 3gfm s ASP 85 Ca 0.22 2.54 0.17 0.00 0.43 0.00 0.00 52.55 55.91 3gfm s ASP 85 Cb -0.11 -2.62 1.12 0.00 -0.30 0.00 0.00 42.92 41.01 3gfm s ASP 85 CO 0.15 -1.14 1.97 0.08 -0.17 0.00 0.00 175.17 176.05 3gfm h ARG 86 N 1.95 0.30 0.00 4.34 -0.00 -1.99 -3.23 114.38 115.76 3gfm h ARG 86 Ca -0.50 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.46 3gfm h ARG 86 Cb 1.27 -0.07 0.00 0.00 -0.00 0.00 0.00 29.97 31.17 3gfm h ARG 86 CO 0.60 0.20 0.00 0.39 -0.00 0.00 0.00 179.97 181.16 3gfm n GLU 87 N -4.45 0.00 -2.57 0.08 1.02 -1.26 -4.80 120.64 108.65 3gfm n GLU 87 Ca 0.11 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.84 3gfm n GLU 87 Cb 0.46 -0.42 -0.03 0.00 -0.02 0.00 0.00 31.44 31.43 3gfm n GLU 87 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3gfm s ASP 88 N -3.67 6.44 0.00 1.62 -1.08 -1.25 -4.80 116.67 113.92 3gfm s ASP 88 Ca 0.00 -1.29 0.19 0.00 -0.52 0.00 0.00 52.55 50.92 3gfm s ASP 88 Cb 0.00 -2.56 0.99 0.00 -1.46 0.00 0.00 42.92 39.88 3gfm s ASP 88 CO 0.00 -1.55 1.56 -2.11 0.52 0.00 0.00 175.17 173.59 3gfm n ARG 89 N 8.89 0.34 -0.00 4.34 1.85 -1.22 -2.84 116.66 128.03 3gfm n ARG 89 Ca 0.27 0.08 -0.17 0.00 -1.00 0.00 0.00 57.85 57.04 3gfm n ARG 89 Cb 0.51 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.30 3gfm n ARG 89 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3gfm h ARG 90 N 0.00 0.29 -6.08 2.89 3.08 -1.88 -3.42 114.38 109.26 3gfm h ARG 90 Ca 0.00 -0.34 -0.58 0.00 0.07 0.00 0.00 59.98 59.13 3gfm h ARG 90 Cb 0.13 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3gfm h ARG 90 CO 0.00 1.06 1.42 0.00 -1.07 0.00 0.00 179.97 181.39 3gfm s ALA 91 N -2.98 2.86 -0.09 0.04 0.00 -1.18 -4.94 121.76 115.48 3gfm s ALA 91 Ca -0.14 0.76 0.02 0.00 0.00 0.00 0.00 51.96 52.60 3gfm s ALA 91 Cb 0.02 -4.03 -0.02 0.00 0.00 0.00 0.00 23.12 19.08 3gfm s ALA 91 CO 0.79 -2.61 -0.13 0.42 0.00 0.00 0.00 175.76 174.23 3gfm s ILE 92 N 7.60 3.10 0.08 0.00 1.01 -1.26 -3.40 121.20 128.34 3gfm s ILE 92 Ca 0.96 -0.68 0.10 0.00 0.00 0.00 0.00 60.65 61.02 3gfm s ILE 92 Cb -0.32 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 3gfm s ILE 92 CO 0.35 0.56 -0.25 -0.76 0.00 0.00 0.00 174.94 174.85 3gfm s LEU 93 N -0.27 2.33 -0.30 2.97 1.43 -0.68 -4.39 118.68 119.76 3gfm s LEU 93 Ca 0.02 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.39 3gfm s LEU 93 Cb -0.13 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 3gfm s LEU 93 CO 0.03 0.22 0.18 -0.63 0.23 0.00 0.00 176.35 176.38 3gfm s ILE 94 N -0.95 4.97 -0.09 -0.59 -1.09 0.79 -0.42 121.20 123.82 3gfm s ILE 94 Ca 0.14 -0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.41 3gfm s ILE 94 Cb -0.10 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.29 3gfm s ILE 94 CO 0.05 0.14 -0.10 -0.70 -1.23 0.00 0.00 174.94 173.09 3gfm s GLU 95 N 1.69 3.01 0.53 2.79 2.12 0.13 -1.52 118.70 127.45 3gfm s GLU 95 Ca 0.06 -0.62 -0.18 0.00 0.36 0.00 0.00 54.97 54.58 3gfm s GLU 95 Cb -0.17 -2.59 -0.06 0.00 0.26 0.00 0.00 34.13 31.57 3gfm s GLU 95 CO 0.09 0.46 1.05 -1.50 -0.54 0.00 0.00 175.26 174.82 3gfm s ILE 96 N -0.28 3.77 0.41 -3.70 2.07 -1.26 -0.45 121.20 121.76 3gfm s ILE 96 Ca 0.03 0.99 0.08 0.00 -1.41 0.00 0.00 60.65 60.33 3gfm s ILE 96 Cb -0.13 -3.42 -0.01 0.00 0.13 0.00 0.00 42.46 39.03 3gfm s ILE 96 CO 0.03 -0.35 0.43 0.42 -1.91 0.00 0.00 174.94 173.55 3gfm s THR 97 N -2.18 2.90 0.19 4.00 -4.23 -0.42 -4.83 115.64 111.07 3gfm s THR 97 Ca 0.66 -1.23 -0.11 0.00 -1.18 0.00 0.00 61.69 59.82 3gfm s THR 97 Cb -0.16 -3.03 0.11 0.00 1.34 0.00 0.00 72.50 70.75 3gfm s THR 97 CO 0.28 -0.02 1.81 -0.08 -0.54 0.00 0.00 174.62 176.06 3gfm h GLU 98 N 0.93 0.61 -0.70 3.99 4.81 -1.89 0.31 114.58 122.64 3gfm h GLU 98 Ca -0.41 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.73 3gfm h GLU 98 Cb 1.27 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 3gfm h GLU 98 CO 0.54 0.41 0.26 -0.22 -0.73 0.00 0.00 179.01 179.26 3gfm h LYS 99 N 0.63 1.06 -0.79 1.92 1.63 -1.90 -1.49 116.57 117.62 3gfm h LYS 99 Ca 0.26 -0.20 0.03 0.00 -0.85 0.00 0.00 60.65 59.89 3gfm h LYS 99 Cb 0.12 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.54 3gfm h LYS 99 CO -0.15 0.88 0.51 0.78 -3.45 0.00 0.00 179.45 178.02 3gfm h GLY 100 N 1.00 1.15 1.19 5.01 0.00 -1.13 -0.52 103.07 109.77 3gfm h GLY 100 Ca 0.23 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 3gfm h GLY 100 CO -0.02 0.33 0.05 1.41 0.00 0.00 0.00 176.54 178.31 3gfm h LEU 101 N 0.99 0.95 -0.38 3.11 3.38 -0.05 0.17 115.31 123.48 3gfm h LEU 101 Ca 0.32 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3gfm h LEU 101 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3gfm h LEU 101 CO -0.11 0.98 0.18 -0.08 0.09 0.00 0.00 178.44 179.49 3gfm h GLU 102 N 0.92 0.55 -0.46 1.13 4.81 -0.65 0.18 114.58 121.06 3gfm h GLU 102 Ca 0.18 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 3gfm h GLU 102 Cb 0.47 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3gfm h GLU 102 CO 0.02 0.50 -0.14 1.15 -0.73 0.00 0.00 179.01 179.80 3gfm h THR 103 N 0.47 1.27 -0.27 0.32 2.02 -0.89 -2.32 112.91 113.51 3gfm h THR 103 Ca 0.13 -1.28 0.03 0.00 0.77 0.00 0.00 66.41 66.06 3gfm h THR 103 Cb 0.13 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 3gfm h THR 103 CO -0.02 0.44 0.07 0.15 0.37 0.00 0.00 175.52 176.53 3gfm h PHE 104 N 0.75 0.12 -0.96 3.16 3.57 -0.43 0.13 116.94 123.28 3gfm h PHE 104 Ca 0.11 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.72 3gfm h PHE 104 Cb 0.70 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.36 3gfm h PHE 104 CO 0.05 0.04 0.61 -0.91 -2.23 0.00 0.00 178.31 175.88 3gfm h ASN 105 N 0.18 0.91 -0.42 0.41 -0.26 -0.82 0.19 115.58 115.77 3gfm h ASN 105 Ca 0.12 0.02 -0.10 0.00 -0.56 0.00 0.00 56.30 55.79 3gfm h ASN 105 Cb 0.12 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.19 3gfm h ASN 105 CO -0.15 0.54 -0.12 0.11 -1.06 0.00 0.00 177.43 176.75 3gfm h LYS 106 N 1.01 0.88 -0.72 0.81 1.57 -0.71 -2.62 116.57 116.79 3gfm h LYS 106 Ca 0.44 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3gfm h LYS 106 Cb 0.35 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 3gfm h LYS 106 CO -0.20 0.95 0.28 0.78 -0.57 0.00 0.00 179.45 180.69 3gfm h GLY 107 N 0.97 1.16 0.87 3.86 0.00 0.16 -2.64 103.07 107.45 3gfm h GLY 107 Ca 0.13 -0.64 0.04 0.00 0.00 0.00 0.00 47.33 46.86 3gfm h GLY 107 CO 0.04 0.60 0.59 -2.22 0.00 0.00 0.00 176.54 175.56 3gfm h ILE 108 N 1.03 1.15 -0.11 2.60 1.08 -0.48 -0.35 117.51 122.43 3gfm h ILE 108 Ca 0.24 -0.40 -0.10 0.00 -0.39 0.00 0.00 64.86 64.22 3gfm h ILE 108 Cb 0.22 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 33.86 3gfm h ILE 108 CO -0.02 0.21 -0.36 -0.33 -0.69 0.00 0.00 178.15 176.96 3gfm h GLU 109 N 1.15 0.22 -0.25 2.37 4.39 -1.23 0.47 114.58 121.71 3gfm h GLU 109 Ca 0.37 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.86 3gfm h GLU 109 Cb 0.01 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3gfm h GLU 109 CO -0.12 0.56 -0.27 0.82 -1.16 0.00 0.00 179.01 178.84 3gfm h ILE 110 N 0.19 1.31 -0.33 3.13 2.04 -1.00 -0.61 117.51 122.24 3gfm h ILE 110 Ca 0.02 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.42 3gfm h ILE 110 Cb 0.74 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 3gfm h ILE 110 CO 0.06 0.45 0.13 0.22 0.00 0.00 0.00 178.15 179.01 3gfm h TYR 111 N 0.34 0.50 -0.30 1.37 3.20 -0.73 -1.92 116.97 119.44 3gfm h TYR 111 Ca 0.04 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3gfm h TYR 111 Cb 0.84 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3gfm h TYR 111 CO 0.08 0.48 0.20 -0.22 -1.64 0.00 0.00 178.16 177.05 3gfm h LYS 112 N 0.38 0.39 -0.14 1.82 3.64 -0.01 -0.15 116.57 122.50 3gfm h LYS 112 Ca 0.11 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3gfm h LYS 112 Cb 0.19 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3gfm h LYS 112 CO -0.01 0.26 0.03 -0.22 -2.27 0.00 0.00 179.45 177.24 3gfm h LYS 113 N 0.40 0.09 -0.84 1.90 3.64 -0.96 -1.64 116.57 119.16 3gfm h LYS 113 Ca 0.11 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3gfm h LYS 113 Cb -0.05 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3gfm h LYS 113 CO -0.02 0.06 0.40 1.25 -2.27 0.00 0.00 179.45 178.87 3gfm h LEU 114 N 0.10 1.11 -1.00 5.20 5.85 -1.14 -2.39 115.31 123.04 3gfm h LEU 114 Ca 0.06 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3gfm h LEU 114 Cb 0.05 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3gfm h LEU 114 CO -0.08 0.94 0.24 0.00 -0.34 0.00 0.00 178.44 179.21 3gfm h ALA 115 N 1.22 1.20 -0.28 1.25 0.00 -0.70 -1.71 119.26 120.24 3gfm h ALA 115 Ca 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3gfm h ALA 115 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3gfm h ALA 115 CO -0.04 0.58 0.08 -0.91 0.00 0.00 0.00 179.25 178.96 3gfm h ASN 116 N 0.95 0.41 0.49 0.00 2.35 -0.97 -1.76 115.58 117.06 3gfm h ASN 116 Ca 0.22 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3gfm h ASN 116 Cb 0.21 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3gfm h ASN 116 CO -0.02 0.52 -0.49 -0.33 -1.65 0.00 0.00 177.43 175.46 3gfm h GLU 117 N 0.29 -0.95 -0.08 0.81 5.08 -1.07 -1.61 114.58 117.04 3gfm h GLU 117 Ca 0.09 0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3gfm h GLU 117 Cb 0.26 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3gfm h GLU 117 CO -0.00 -0.63 -0.03 -0.39 -1.00 0.00 0.00 179.01 176.95 3gfm h VAL 118 N -0.99 1.08 -0.50 3.13 -1.51 -1.33 -1.16 116.25 114.97 3gfm h VAL 118 Ca -0.06 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 3gfm h VAL 118 Cb 0.86 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 3gfm h VAL 118 CO -0.06 0.10 0.00 0.35 -1.23 0.00 0.00 177.57 176.73 3gfm n THR 119 N -4.43 1.25 -0.07 7.19 -2.24 -0.66 -4.61 114.28 110.71 3gfm n THR 119 Ca -0.02 -0.85 -0.09 0.00 -2.27 0.00 0.00 64.05 60.82 3gfm n THR 119 Cb 0.16 0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 3gfm n THR 119 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3gfm h GLY 120 N 4.60 -0.35 1.36 3.38 0.00 -0.19 -1.34 103.07 110.53 3gfm h GLY 120 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.74 3gfm h GLY 120 CO 0.14 -0.21 0.03 1.22 0.00 0.00 0.00 176.54 177.72 3gfm n ASP 121 N -5.41 0.00 -4.75 0.19 8.00 -1.26 -4.61 116.55 108.71 3gfm n ASP 121 Ca -0.01 0.23 -0.34 0.00 0.71 0.00 0.00 54.79 55.39 3gfm n ASP 121 Cb 0.33 -0.23 -0.08 0.00 -0.02 0.00 0.00 41.12 41.13 3gfm n ASP 121 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gfm s LEU 122 N -2.41 3.80 0.62 0.64 1.43 -0.51 -5.11 118.68 117.14 3gfm s LEU 122 Ca 0.00 0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 53.20 3gfm s LEU 122 Cb 0.00 -2.12 0.04 0.00 0.03 0.00 0.00 46.19 44.14 3gfm s LEU 122 CO 0.00 0.30 0.90 -0.94 0.23 0.00 0.00 176.35 176.84 3gfm s SER 123 N -1.49 5.15 0.28 2.29 1.04 -1.26 -4.85 113.70 114.85 3gfm s SER 123 Ca 0.20 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.96 3gfm s SER 123 Cb -0.12 -1.15 0.53 0.00 0.10 0.00 0.00 66.02 65.38 3gfm s SER 123 CO 0.10 -1.31 1.83 -0.33 0.98 0.00 0.00 173.24 174.52 3gfm h GLU 124 N -0.25 0.95 0.29 4.02 4.39 -1.97 -0.61 114.58 121.39 3gfm h GLU 124 Ca -0.44 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 3gfm h GLU 124 Cb 1.30 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3gfm h GLU 124 CO 0.57 0.63 -0.14 -0.44 -1.16 0.00 0.00 179.01 178.48 3gfm h ASP 125 N 0.98 -0.32 -0.44 1.42 3.32 -1.99 -1.64 116.42 117.75 3gfm h ASP 125 Ca 0.48 -0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.51 3gfm h ASP 125 Cb 0.46 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.03 3gfm h ASP 125 CO -0.26 -0.11 0.09 -0.33 -1.72 0.00 0.00 179.24 176.91 3gfm h GLU 126 N -0.53 0.22 -0.51 3.56 5.08 -1.83 0.74 114.58 121.32 3gfm h GLU 126 Ca -0.04 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3gfm h GLU 126 Cb 0.39 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 3gfm h GLU 126 CO 0.06 0.14 0.10 0.28 -1.00 0.00 0.00 179.01 178.60 3gfm h VAL 127 N 0.22 0.72 -0.44 3.13 2.07 -1.01 -1.10 116.25 119.84 3gfm h VAL 127 Ca 0.21 -0.08 -0.10 0.00 0.82 0.00 0.00 66.70 67.55 3gfm h VAL 127 Cb 0.27 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3gfm h VAL 127 CO -0.28 0.04 -0.12 0.40 0.02 0.00 0.00 177.57 177.64 3gfm h ILE 128 N 0.24 1.26 0.41 4.57 2.04 -0.40 -1.64 117.51 123.98 3gfm h ILE 128 Ca 0.25 -1.19 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 3gfm h ILE 128 Cb 0.34 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3gfm h ILE 128 CO -0.33 0.41 -0.20 0.25 0.00 0.00 0.00 178.15 178.28 3gfm h LEU 129 N 0.72 -0.46 -0.79 1.44 5.85 -0.00 -1.72 115.31 120.34 3gfm h LEU 129 Ca 0.12 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3gfm h LEU 129 Cb 0.61 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 3gfm h LEU 129 CO 0.04 -0.30 0.49 0.58 -0.34 0.00 0.00 178.44 178.91 3gfm h VAL 130 N -0.59 1.05 -0.27 1.05 2.07 -1.18 -2.56 116.25 115.84 3gfm h VAL 130 Ca -0.06 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3gfm h VAL 130 Cb 0.44 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3gfm h VAL 130 CO 0.09 0.17 0.17 0.25 0.02 0.00 0.00 177.57 178.27 3gfm h LEU 131 N 0.91 0.31 -0.93 2.57 5.85 -1.11 -0.25 115.31 122.66 3gfm h LEU 131 Ca 0.34 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.07 3gfm h LEU 131 Cb 0.12 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3gfm h LEU 131 CO -0.15 0.23 0.61 -0.78 -0.34 0.00 0.00 178.44 178.01 3gfm h ASP 132 N 0.35 1.02 0.47 1.25 1.82 -1.07 -2.03 116.42 118.24 3gfm h ASP 132 Ca 0.10 -0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.70 3gfm h ASP 132 Cb -0.03 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 39.75 3gfm h ASP 132 CO -0.02 0.71 -0.23 0.11 -1.61 0.00 0.00 179.24 178.20 3gfm h LYS 133 N 1.19 -0.61 0.00 0.28 1.79 -1.12 -3.25 116.57 114.85 3gfm h LYS 133 Ca 0.36 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 3gfm h LYS 133 Cb -0.03 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 3gfm h LYS 133 CO -0.11 -0.41 0.00 -0.84 -1.08 0.00 0.00 179.45 177.01 3gfm h ILE 134 N -1.08 0.00 -0.04 1.86 3.07 -1.09 0.10 117.51 120.33 3gfm h ILE 134 Ca -0.06 -0.03 -0.08 0.00 1.55 0.00 0.00 64.86 66.24 3gfm h ILE 134 Cb 0.49 0.87 -0.01 0.00 -0.27 0.00 0.00 36.82 37.89 3gfm h ILE 134 CO 0.11 0.00 -0.33 -1.28 -1.05 0.00 0.00 178.15 175.60 3gfm h SER 135 N 0.00 0.08 0.34 2.16 0.87 -1.39 -1.32 113.55 114.29 3gfm h SER 135 Ca 0.00 -0.03 -0.19 0.00 -1.23 0.00 0.00 61.79 60.34 3gfm h SER 135 Cb 0.04 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3gfm h SER 135 CO 0.00 0.41 -0.77 0.11 -0.53 0.00 0.00 176.83 176.05 3gfm h LYS 136 N 0.07 0.35 -0.32 2.24 1.57 -0.85 -2.42 116.57 117.21 3gfm h LYS 136 Ca 0.01 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 3gfm h LYS 136 Cb 0.62 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3gfm h LYS 136 CO 0.05 0.97 0.09 0.82 -0.57 0.00 0.00 179.45 180.80 3gfm h ILE 137 N 0.23 1.21 -0.60 1.86 2.04 -1.33 -2.31 117.51 118.61 3gfm h ILE 137 Ca -0.04 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 3gfm h ILE 137 Cb 1.36 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.47 3gfm h ILE 137 CO 0.13 0.23 0.34 0.25 0.00 0.00 0.00 178.15 179.10 3gfm h LEU 138 N 0.36 0.74 -0.84 1.44 5.85 -1.23 -0.88 115.31 120.75 3gfm h LEU 138 Ca 0.10 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3gfm h LEU 138 Cb 0.26 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3gfm h LEU 138 CO -0.00 0.60 0.54 0.50 -0.34 0.00 0.00 178.44 179.74 3gfm h LYS 139 N 0.81 1.02 -0.05 1.25 3.64 -1.31 -1.18 116.57 120.76 3gfm h LYS 139 Ca 0.21 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 3gfm h LYS 139 Cb 0.02 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3gfm h LYS 139 CO -0.04 0.68 -0.07 0.00 -2.27 0.00 0.00 179.45 177.75 3gfm h ARG 140 N 1.05 0.13 -0.71 1.90 2.47 -0.94 -2.24 114.38 116.04 3gfm h ARG 140 Ca 0.34 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.94 3gfm h ARG 140 Cb 0.01 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 3gfm h ARG 140 CO -0.11 0.62 0.30 0.97 0.56 0.00 0.00 179.97 182.30 3gfm h ILE 141 N -0.34 1.24 -0.36 2.04 6.09 -1.07 0.53 117.51 125.64 3gfm h ILE 141 Ca 0.01 -0.74 -0.06 0.00 -1.37 0.00 0.00 64.86 62.70 3gfm h ILE 141 Cb 0.60 0.38 -0.02 0.00 0.47 0.00 0.00 36.82 38.24 3gfm h ILE 141 CO 0.02 0.30 -0.03 -0.33 -3.07 0.00 0.00 178.15 175.04 3gfm h GLU 142 N 1.03 0.58 -0.12 2.19 5.08 -1.24 0.45 114.58 122.56 3gfm h GLU 142 Ca 0.24 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 3gfm h GLU 142 Cb 0.18 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3gfm h GLU 142 CO -0.02 0.63 -0.46 0.93 -1.00 0.00 0.00 179.01 179.08 3gfm h GLU 143 N 0.55 0.28 0.10 2.33 5.08 -0.66 -3.10 114.58 119.17 3gfm h GLU 143 Ca 0.11 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 3gfm h GLU 143 Cb 0.40 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.66 3gfm h GLU 143 CO 0.02 0.69 -0.81 0.82 -1.00 0.00 0.00 179.01 178.73 3gfm h ILE 144 N 0.23 1.44 0.00 3.13 2.04 -0.18 -3.37 117.51 120.80 3gfm h ILE 144 Ca 0.01 -2.46 -0.04 0.00 1.00 0.00 0.00 64.86 63.38 3gfm h ILE 144 Cb 0.91 3.10 -0.01 0.00 -0.74 0.00 0.00 36.82 40.08 3gfm h ILE 144 CO 0.07 0.68 -0.17 0.77 0.00 0.00 0.00 178.15 179.50 3gfm h SER 145 N -0.50 0.00 0.00 1.72 4.64 -0.19 -3.51 113.55 115.71 3gfm h SER 145 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3gfm h SER 145 Cb 1.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 3gfm h SER 145 CO 0.09 0.17 0.00 0.00 -0.87 0.00 0.00 176.83 176.22