#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfl h ASN 7 N 0.00 0.01 -0.07 4.31 2.35 -2.05 -1.07 115.58 119.06 3gfl h ASN 7 Ca 0.00 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 3gfl h ASN 7 Cb 0.00 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3gfl h ASN 7 CO 0.00 0.04 -0.06 0.03 -1.65 0.00 0.00 177.43 175.78 3gfl h ARG 8 N 0.13 0.31 -0.07 0.81 3.08 -2.06 -0.54 114.38 116.04 3gfl h ARG 8 Ca 0.10 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3gfl h ARG 8 Cb 0.09 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3gfl h ARG 8 CO -0.13 0.39 -0.06 0.82 -1.07 0.00 0.00 179.97 179.92 3gfl h ILE 9 N 0.30 1.36 0.00 2.04 2.04 -1.93 -3.11 117.51 118.21 3gfl h ILE 9 Ca 0.06 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.69 3gfl h ILE 9 Cb 0.31 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 3gfl h ILE 9 CO 0.01 0.33 -0.21 -0.61 0.00 0.00 0.00 178.15 177.68 3gfl h GLN 10 N -0.27 0.00 -0.22 2.37 4.15 -0.84 -0.98 115.11 119.32 3gfl h GLN 10 Ca 0.01 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 3gfl h GLN 10 Cb 0.56 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 3gfl h GLN 10 CO 0.02 0.21 0.07 0.82 -1.93 0.00 0.00 178.83 178.01 3gfl h ILE 11 N 0.00 1.19 -0.32 2.39 2.04 -1.07 0.53 117.51 122.27 3gfl h ILE 11 Ca -0.00 -0.60 -0.14 0.00 1.00 0.00 0.00 64.86 65.11 3gfl h ILE 11 Cb 0.42 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3gfl h ILE 11 CO 0.03 0.19 -0.37 0.24 0.00 0.00 0.00 178.15 178.24 3gfl h MET 12 N 0.18 0.74 -0.07 2.37 2.86 -1.40 -1.78 114.93 117.84 3gfl h MET 12 Ca 0.07 -0.37 -0.14 0.00 -2.06 0.00 0.00 59.70 57.20 3gfl h MET 12 Cb 0.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3gfl h MET 12 CO -0.00 0.98 -0.58 0.66 1.06 0.00 0.00 176.91 179.03 3gfl h SER 13 N 0.61 0.24 -0.28 1.22 4.64 -1.09 -2.16 113.55 116.72 3gfl h SER 13 Ca 0.06 -0.13 -0.16 0.00 -0.47 0.00 0.00 61.79 61.09 3gfl h SER 13 Cb 0.90 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 3gfl h SER 13 CO 0.08 0.77 -0.41 0.74 -0.87 0.00 0.00 176.83 177.14 3gfl h THR 14 N 0.16 1.28 -0.93 2.95 2.02 -0.77 -1.69 112.91 115.94 3gfl h THR 14 Ca -0.00 -1.59 0.01 0.00 0.77 0.00 0.00 66.41 65.59 3gfl h THR 14 Cb 1.07 1.46 -0.05 0.00 -1.74 0.00 0.00 68.15 68.89 3gfl h THR 14 CO 0.09 0.52 0.61 0.40 0.37 0.00 0.00 175.52 177.51 3gfl h ILE 15 N 0.68 1.24 -0.29 3.11 2.04 -1.12 -0.17 117.51 123.00 3gfl h ILE 15 Ca 0.05 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3gfl h ILE 15 Cb 0.99 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3gfl h ILE 15 CO 0.10 0.24 0.06 0.00 0.00 0.00 0.00 178.15 178.54 3gfl h ALA 16 N 1.41 0.38 -0.77 1.87 0.00 -1.08 -0.94 119.26 120.13 3gfl h ALA 16 Ca 0.34 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3gfl h ALA 16 Cb -0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3gfl h ALA 16 CO -0.07 0.06 0.28 0.87 0.00 0.00 0.00 179.25 180.38 3gfl h LYS 17 N 0.30 1.17 -0.33 0.00 1.57 -0.87 -1.73 116.57 116.67 3gfl h LYS 17 Ca 0.09 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3gfl h LYS 17 Cb 0.32 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3gfl h LYS 17 CO 0.00 0.96 0.16 0.82 -0.57 0.00 0.00 179.45 180.82 3gfl h ILE 18 N 1.13 1.16 -0.56 1.86 2.04 -0.87 -1.99 117.51 120.28 3gfl h ILE 18 Ca 0.25 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.66 3gfl h ILE 18 Cb 0.25 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3gfl h ILE 18 CO -0.02 0.17 0.35 0.22 0.00 0.00 0.00 178.15 178.87 3gfl h TYR 19 N 0.40 0.66 -0.39 1.37 3.20 -0.83 0.57 116.97 121.95 3gfl h TYR 19 Ca 0.11 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3gfl h TYR 19 Cb 0.13 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 3gfl h TYR 19 CO -0.02 0.39 0.19 0.00 -1.64 0.00 0.00 178.16 177.08 3gfl h ARG 20 N 0.70 0.56 -0.52 1.82 3.08 -1.14 0.88 114.38 119.75 3gfl h ARG 20 Ca 0.22 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 3gfl h ARG 20 Cb -0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3gfl h ARG 20 CO -0.08 0.49 0.06 0.00 -1.07 0.00 0.00 179.97 179.37 3gfl h ALA 21 N 1.04 0.69 -0.50 0.04 0.00 -1.14 -1.76 119.26 117.63 3gfl h ALA 21 Ca 0.13 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3gfl h ALA 21 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3gfl h ALA 21 CO -0.02 0.45 0.17 0.52 0.00 0.00 0.00 179.25 180.38 3gfl h MET 22 N 0.76 0.77 -0.68 0.00 2.86 -0.71 -2.24 114.93 115.69 3gfl h MET 22 Ca 0.16 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3gfl h MET 22 Cb 0.44 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 3gfl h MET 22 CO 0.01 0.71 0.43 1.03 1.06 0.00 0.00 176.91 180.15 3gfl h SER 23 N 0.68 0.71 -0.03 1.22 0.87 -0.64 0.19 113.55 116.56 3gfl h SER 23 Ca 0.16 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3gfl h SER 23 Cb 0.25 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 3gfl h SER 23 CO -0.01 0.50 0.02 -0.09 -0.53 0.00 0.00 176.83 176.72 3gfl h ARG 24 N 0.85 0.04 -0.41 2.24 2.43 -1.13 -1.33 114.38 117.07 3gfl h ARG 24 Ca 0.27 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.33 3gfl h ARG 24 Cb -0.01 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3gfl h ARG 24 CO -0.09 0.10 -0.17 1.49 -1.51 0.00 0.00 179.97 179.79 3gfl h GLU 25 N -0.03 0.78 -0.49 0.20 4.57 -1.08 -2.26 114.58 116.26 3gfl h GLU 25 Ca 0.01 -0.29 -0.06 0.00 -1.18 0.00 0.00 59.36 57.84 3gfl h GLU 25 Cb 0.07 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3gfl h GLU 25 CO -0.00 0.90 0.06 -0.07 -1.18 0.00 0.00 179.01 178.71 3gfl h LEU 26 N 0.69 0.80 -1.06 1.64 3.38 -0.53 0.21 115.31 120.45 3gfl h LEU 26 Ca 0.11 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.83 3gfl h LEU 26 Cb 0.67 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 3gfl h LEU 26 CO 0.05 0.88 0.63 0.78 0.09 0.00 0.00 178.44 180.87 3gfl h ASN 27 N 0.70 1.07 0.09 -0.43 -0.26 -1.10 0.32 115.58 115.97 3gfl h ASN 27 Ca 0.15 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.87 3gfl h ASN 27 Cb 0.43 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 3gfl h ASN 27 CO 0.01 0.75 -0.04 -0.09 -1.06 0.00 0.00 177.43 177.00 3gfl h ARG 28 N 1.25 -0.12 -0.25 0.81 2.43 -0.87 -2.04 114.38 115.59 3gfl h ARG 28 Ca 0.37 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.39 3gfl h ARG 28 Cb -0.05 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3gfl h ARG 28 CO -0.10 0.18 -0.50 0.00 -1.51 0.00 0.00 179.97 178.04 3gfl h ARG 29 N -0.43 0.68 0.00 0.20 3.08 -0.71 -2.87 114.38 114.34 3gfl h ARG 29 Ca -0.01 -0.40 -0.03 0.00 0.07 0.00 0.00 59.98 59.61 3gfl h ARG 29 Cb 0.36 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 3gfl h ARG 29 CO 0.02 1.02 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.74 3gfl h LEU 30 N 0.53 0.00 -1.58 3.04 3.38 -0.43 -2.93 115.31 117.32 3gfl h LEU 30 Ca 0.02 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.14 3gfl h LEU 30 Cb 1.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 3gfl h LEU 30 CO 0.10 0.13 0.50 1.23 0.09 0.00 0.00 178.44 180.49 3gfl h GLY 31 N 1.59 0.70 2.00 0.83 0.00 -1.12 0.32 103.07 107.39 3gfl h GLY 31 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3gfl h GLY 31 CO 0.02 0.06 0.00 0.83 0.00 0.00 0.00 176.54 177.45 3gfl h GLU 32 N 0.41 0.00 -0.61 4.80 5.08 -1.66 0.43 114.58 123.04 3gfl h GLU 32 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3gfl h GLU 32 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3gfl h GLU 32 CO -0.12 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.17 3gfl n LEU 33 N -2.40 3.78 -1.40 1.33 4.77 0.11 -4.93 117.00 118.26 3gfl n LEU 33 Ca 0.01 -2.08 -0.15 0.00 -0.03 0.00 0.00 56.01 53.76 3gfl n LEU 33 Cb 0.18 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 3gfl n LEU 33 CO 0.18 0.89 -0.16 0.59 -1.33 0.00 0.00 177.39 177.56 3gfl n ASN 34 N 1.22 -4.65 -4.41 -1.43 4.13 0.14 -5.00 115.26 105.26 3gfl n ASN 34 Ca 0.21 0.19 -0.25 0.00 1.68 0.00 0.00 54.58 56.40 3gfl n ASN 34 Cb 0.61 -3.62 -0.11 0.00 -1.54 0.00 0.00 39.78 35.12 3gfl n ASN 34 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3gfl s LEU 35 N -3.79 2.45 0.42 3.41 1.43 -0.95 -4.99 118.68 116.66 3gfl s LEU 35 Ca 0.00 -0.88 0.08 0.00 -1.03 0.00 0.00 54.13 52.29 3gfl s LEU 35 Cb 0.00 -1.09 -0.00 0.00 0.03 0.00 0.00 46.19 45.13 3gfl s LEU 35 CO 0.00 0.08 0.49 -0.94 0.23 0.00 0.00 176.35 176.20 3gfl s SER 36 N -2.77 5.38 0.24 2.29 1.04 -1.26 -2.96 113.70 115.66 3gfl s SER 36 Ca 0.21 -0.57 -0.07 0.00 0.48 0.00 0.00 55.95 55.99 3gfl s SER 36 Cb -0.07 -0.60 0.24 0.00 0.10 0.00 0.00 66.02 65.69 3gfl s SER 36 CO 0.10 -0.72 1.91 0.22 0.98 0.00 0.00 173.24 175.73 3gfl h TYR 37 N 0.81 1.16 -0.52 5.02 3.20 -1.88 -1.49 116.97 123.27 3gfl h TYR 37 Ca -0.40 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.46 3gfl h TYR 37 Cb 1.27 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 3gfl h TYR 37 CO 0.45 0.72 0.21 1.25 -1.64 0.00 0.00 178.16 179.15 3gfl h LEU 38 N 1.24 0.72 -0.56 2.82 5.85 -1.99 -1.12 115.31 122.27 3gfl h LEU 38 Ca 0.35 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.93 3gfl h LEU 38 Cb -0.12 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 3gfl h LEU 38 CO -0.08 0.69 0.32 0.44 -0.34 0.00 0.00 178.44 179.47 3gfl h ASP 39 N 0.70 0.51 -0.94 1.25 3.32 -1.83 -1.25 116.42 118.18 3gfl h ASP 39 Ca 0.17 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 3gfl h ASP 39 Cb 0.19 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3gfl h ASP 39 CO -0.01 0.35 0.59 0.15 -1.72 0.00 0.00 179.24 178.59 3gfl h PHE 40 N 0.63 1.22 -0.33 4.55 3.57 -0.88 -1.93 116.94 123.77 3gfl h PHE 40 Ca 0.23 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 3gfl h PHE 40 Cb 0.06 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 3gfl h PHE 40 CO -0.07 0.79 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.65 3gfl h LEU 41 N 1.29 0.52 -0.72 0.59 3.38 -0.30 0.52 115.31 120.59 3gfl h LEU 41 Ca 0.34 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 3gfl h LEU 41 Cb -0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3gfl h LEU 41 CO -0.07 0.65 0.04 0.58 0.09 0.00 0.00 178.44 179.73 3gfl h VAL 42 N 0.51 1.26 -0.44 1.22 2.07 -0.61 0.30 116.25 120.56 3gfl h VAL 42 Ca 0.10 -1.08 -0.13 0.00 0.82 0.00 0.00 66.70 66.41 3gfl h VAL 42 Cb 0.46 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3gfl h VAL 42 CO 0.02 0.40 -0.23 -0.07 0.02 0.00 0.00 177.57 177.71 3gfl h LEU 43 N 0.94 0.93 -0.31 2.57 3.38 -0.80 -1.77 115.31 120.25 3gfl h LEU 43 Ca 0.18 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3gfl h LEU 43 Cb 0.50 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3gfl h LEU 43 CO 0.02 1.11 0.16 -0.09 0.09 0.00 0.00 178.44 179.74 3gfl h ARG 44 N 0.78 0.44 -0.65 1.13 9.65 -0.48 0.15 114.38 125.40 3gfl h ARG 44 Ca 0.10 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 3gfl h ARG 44 Cb 0.78 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.25 3gfl h ARG 44 CO 0.06 0.39 0.37 0.00 2.80 0.00 0.00 179.97 183.60 3gfl h ALA 45 N 1.02 0.83 0.00 2.80 0.00 -0.82 -2.83 119.26 120.28 3gfl h ALA 45 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gfl h ALA 45 Cb 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3gfl h ALA 45 CO -0.02 0.34 -0.18 0.25 0.00 0.00 0.00 179.25 179.64 3gfl n THR 46 N -4.55 0.02 0.26 0.00 -2.24 -0.68 -3.98 114.28 103.11 3gfl n THR 46 Ca 0.05 -0.01 0.09 0.00 -2.27 0.00 0.00 64.05 61.91 3gfl n THR 46 Cb 0.08 -0.24 0.68 0.00 -2.10 0.00 0.00 70.33 68.74 3gfl n THR 46 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3gfl h SER 47 N 0.00 0.00 -0.48 3.42 4.64 -0.69 -2.36 113.55 118.07 3gfl h SER 47 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gfl h SER 47 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3gfl h SER 47 CO 0.00 0.04 0.00 -0.90 -0.87 0.00 0.00 176.83 175.10 3gfl n ASP 48 N -4.30 3.32 0.00 4.97 5.68 -1.26 -5.04 116.55 119.92 3gfl n ASP 48 Ca -0.03 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 3gfl n ASP 48 Cb 0.13 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 3gfl n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gfl n GLY 49 N 1.01 3.89 3.76 6.12 0.00 -0.89 -5.13 105.19 113.95 3gfl n GLY 49 Ca 0.17 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 3gfl n GLY 49 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gfl s PRO 50 N -2.64 3.66 0.05 1.61 0.02 -1.26 -4.21 135.00 132.22 3gfl s PRO 50 Ca 0.00 2.32 0.06 0.00 0.02 0.00 0.00 61.00 63.40 3gfl s PRO 50 Cb 0.00 -2.61 -0.02 0.00 0.02 0.00 0.00 34.50 31.89 3gfl s PRO 50 CO 0.00 -0.81 -0.17 0.15 -0.33 0.00 0.00 177.00 175.85 3gfl s LYS 51 N -2.49 1.07 0.54 5.54 -0.14 -0.70 -4.85 119.74 118.71 3gfl s LYS 51 Ca 0.62 -0.87 -0.17 0.00 -1.36 0.00 0.00 55.97 54.19 3gfl s LYS 51 Cb -0.42 -1.14 -0.07 0.00 -1.68 0.00 0.00 37.83 34.53 3gfl s LYS 51 CO 0.53 0.28 1.01 0.95 -0.76 0.00 0.00 175.35 177.36 3gfl s THR 52 N -0.91 4.24 0.37 2.17 -4.23 -1.26 -0.02 115.64 115.99 3gfl s THR 52 Ca 0.03 1.10 0.13 0.00 -1.18 0.00 0.00 61.69 61.77 3gfl s THR 52 Cb -0.09 -3.59 0.09 0.00 1.34 0.00 0.00 72.50 70.26 3gfl s THR 52 CO 0.02 -0.59 1.82 0.24 -0.54 0.00 0.00 174.62 175.57 3gfl h MET 53 N 0.81 0.00 -0.60 3.99 2.86 -1.97 -2.56 114.93 117.46 3gfl h MET 53 Ca -0.47 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.13 3gfl h MET 53 Cb 1.20 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.83 3gfl h MET 53 CO 0.60 0.38 0.22 0.00 1.06 0.00 0.00 176.91 179.17 3gfl h ALA 54 N 1.62 0.78 -0.35 6.32 0.00 -1.95 -2.15 119.26 123.54 3gfl h ALA 54 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3gfl h ALA 54 Cb 0.67 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3gfl h ALA 54 CO 0.05 0.42 0.23 -0.92 0.00 0.00 0.00 179.25 179.03 3gfl h TYR 55 N 0.84 0.43 -0.40 0.00 3.20 -1.85 -1.99 116.97 117.20 3gfl h TYR 55 Ca 0.20 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.11 3gfl h TYR 55 Cb 0.23 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3gfl h TYR 55 CO 0.01 0.27 0.21 -0.07 -1.64 0.00 0.00 178.16 176.94 3gfl h LEU 56 N 0.46 0.32 -0.41 2.82 3.38 -1.22 0.18 115.31 120.85 3gfl h LEU 56 Ca 0.13 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3gfl h LEU 56 Cb -0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3gfl h LEU 56 CO -0.03 0.23 0.16 0.00 0.09 0.00 0.00 178.44 178.89 3gfl h ALA 57 N 1.20 0.53 0.24 1.53 0.00 -1.25 -2.64 119.26 118.86 3gfl h ALA 57 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3gfl h ALA 57 Cb 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3gfl h ALA 57 CO -0.11 0.13 -0.11 -0.97 0.00 0.00 0.00 179.25 178.19 3gfl h ASN 58 N 0.51 -0.27 -0.78 0.00 -1.24 -1.09 -1.14 115.58 111.57 3gfl h ASN 58 Ca 0.14 -0.23 0.09 0.00 0.71 0.00 0.00 56.30 57.01 3gfl h ASN 58 Cb 0.19 0.07 -0.07 0.00 0.73 0.00 0.00 38.32 39.23 3gfl h ASN 58 CO -0.01 0.11 0.43 -0.09 -1.29 0.00 0.00 177.43 176.58 3gfl h ARG 59 N -0.69 0.71 -0.53 6.67 9.65 -0.69 -2.52 114.38 126.98 3gfl h ARG 59 Ca -0.03 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3gfl h ARG 59 Cb 0.48 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 3gfl h ARG 59 CO 0.05 0.47 0.00 0.66 2.80 0.00 0.00 179.97 183.95 3gfl n TYR 60 N -4.78 1.62 -3.96 2.20 4.01 -1.00 -4.99 117.16 110.27 3gfl n TYR 60 Ca 0.12 -0.71 -0.39 0.00 -0.16 0.00 0.00 57.90 56.76 3gfl n TYR 60 Cb 0.26 -0.37 0.02 0.00 -0.31 0.00 0.00 39.34 38.94 3gfl n TYR 60 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3gfl n PHE 61 N 0.55 -1.57 -4.34 -0.72 7.35 -0.67 -5.00 117.46 113.07 3gfl n PHE 61 Ca 0.25 0.28 -0.18 0.00 -0.76 0.00 0.00 57.45 57.05 3gfl n PHE 61 Cb 1.02 -3.07 -0.10 0.00 0.35 0.00 0.00 39.48 37.68 3gfl n PHE 61 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3gfl s VAL 62 N -3.61 0.87 0.62 -2.13 -7.23 -0.52 -5.05 120.40 103.35 3gfl s VAL 62 Ca 0.41 -2.01 -0.14 0.00 -1.81 0.00 0.00 61.98 58.43 3gfl s VAL 62 Cb -0.20 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 3gfl s VAL 62 CO 0.93 -0.15 1.05 0.42 -0.31 0.00 0.00 175.10 177.04 3gfl s THR 63 N -3.53 3.96 0.38 5.32 -4.23 -1.26 -4.56 115.64 111.71 3gfl s THR 63 Ca 0.33 0.83 0.07 0.00 -1.18 0.00 0.00 61.69 61.75 3gfl s THR 63 Cb 0.07 -3.43 0.19 0.00 1.34 0.00 0.00 72.50 70.67 3gfl s THR 63 CO 0.12 -0.64 1.94 1.56 -0.54 0.00 0.00 174.62 177.06 3gfl h GLN 64 N 0.12 0.41 -0.36 3.99 1.08 -1.95 -1.66 115.11 116.74 3gfl h GLN 64 Ca -0.46 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 56.59 3gfl h GLN 64 Cb 1.21 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 3gfl h GLN 64 CO 0.58 0.42 -0.11 0.66 -0.95 0.00 0.00 178.83 179.43 3gfl h SER 65 N 0.40 0.61 -0.52 1.46 4.64 -1.99 0.00 113.55 118.15 3gfl h SER 65 Ca 0.09 -0.17 -0.08 0.00 -0.47 0.00 0.00 61.79 61.16 3gfl h SER 65 Cb 0.24 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3gfl h SER 65 CO 0.00 0.76 0.02 0.00 -0.87 0.00 0.00 176.83 176.74 3gfl h ALA 66 N 1.31 0.97 -0.36 5.18 0.00 -1.69 -0.97 119.26 123.69 3gfl h ALA 66 Ca 0.10 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3gfl h ALA 66 Cb 0.53 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3gfl h ALA 66 CO 0.03 0.63 -0.28 0.82 0.00 0.00 0.00 179.25 180.45 3gfl h ILE 67 N 0.88 1.28 -0.63 0.00 1.08 -0.97 -1.16 117.51 118.01 3gfl h ILE 67 Ca 0.17 -1.44 0.01 0.00 -0.39 0.00 0.00 64.86 63.21 3gfl h ILE 67 Cb 0.50 1.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.63 3gfl h ILE 67 CO 0.02 0.48 0.41 0.74 -0.69 0.00 0.00 178.15 179.11 3gfl h THR 68 N 0.61 1.14 -0.35 -0.27 2.02 -0.75 0.22 112.91 115.52 3gfl h THR 68 Ca 0.07 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 3gfl h THR 68 Cb 0.86 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3gfl h THR 68 CO 0.07 0.15 0.13 0.00 0.37 0.00 0.00 175.52 176.25 3gfl h ALA 69 N 1.24 0.45 -0.44 6.16 0.00 -1.05 0.82 119.26 126.44 3gfl h ALA 69 Ca 0.24 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3gfl h ALA 69 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3gfl h ALA 69 CO -0.07 0.06 0.08 1.03 0.00 0.00 0.00 179.25 180.35 3gfl h SER 70 N 0.41 0.70 -0.53 0.00 0.87 -0.81 -1.94 113.55 112.25 3gfl h SER 70 Ca 0.11 -0.26 -0.11 0.00 -1.23 0.00 0.00 61.79 60.31 3gfl h SER 70 Cb 0.20 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3gfl h SER 70 CO -0.01 0.78 -0.09 0.58 -0.53 0.00 0.00 176.83 177.56 3gfl h VAL 71 N 0.59 1.27 -0.95 2.23 2.07 -0.46 -0.85 116.25 120.15 3gfl h VAL 71 Ca 0.13 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.43 3gfl h VAL 71 Cb 0.37 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 3gfl h VAL 71 CO 0.01 0.44 0.62 0.44 0.02 0.00 0.00 177.57 179.09 3gfl h ASP 72 N 0.87 1.09 0.15 0.57 3.32 -0.70 -0.56 116.42 121.17 3gfl h ASP 72 Ca 0.14 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3gfl h ASP 72 Cb 0.65 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3gfl h ASP 72 CO 0.04 0.80 -0.07 0.50 -1.72 0.00 0.00 179.24 178.79 3gfl h LYS 73 N 1.29 -0.20 -0.11 3.56 3.64 -1.08 -1.97 116.57 121.70 3gfl h LYS 73 Ca 0.35 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.72 3gfl h LYS 73 Cb -0.14 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3gfl h LYS 73 CO -0.07 0.10 0.00 -0.07 -2.27 0.00 0.00 179.45 177.14 3gfl h LEU 74 N -0.50 0.14 -0.34 5.20 3.38 -0.97 -0.31 115.31 121.92 3gfl h LEU 74 Ca -0.02 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 3gfl h LEU 74 Cb 0.39 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3gfl h LEU 74 CO 0.03 0.18 -0.32 -0.08 0.09 0.00 0.00 178.44 178.34 3gfl h GLU 75 N 0.16 0.82 -0.01 1.13 4.81 -0.99 0.28 114.58 120.79 3gfl h GLU 75 Ca 0.04 -0.43 -0.11 0.00 -0.13 0.00 0.00 59.36 58.74 3gfl h GLU 75 Cb 0.11 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3gfl h GLU 75 CO 0.00 1.06 -0.51 1.49 -0.73 0.00 0.00 179.01 180.32 3gfl h GLU 76 N 0.60 0.01 0.00 1.92 4.57 -0.73 -2.13 114.58 118.83 3gfl h GLU 76 Ca 0.06 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3gfl h GLU 76 Cb 0.90 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 3gfl h GLU 76 CO 0.08 0.52 0.00 -1.33 -1.18 0.00 0.00 179.01 177.10 3gfl n MET 77 N -3.93 0.40 -1.55 1.92 2.81 -0.18 -4.91 117.12 111.68 3gfl n MET 77 Ca -0.01 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.82 3gfl n MET 77 Cb 0.53 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.52 3gfl n MET 77 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gfl n GLY 78 N 1.28 0.53 0.04 3.03 0.00 -0.73 -4.94 105.19 104.39 3gfl n GLY 78 Ca 0.14 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.48 3gfl n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gfl n LEU 79 N -0.68 0.18 -4.02 0.99 4.77 0.92 -4.24 117.00 114.92 3gfl n LEU 79 Ca -0.06 0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.91 3gfl n LEU 79 Cb 0.33 0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.40 3gfl n LEU 79 CO 0.08 0.05 -0.18 0.68 -1.33 0.00 0.00 177.39 176.69 3gfl s VAL 80 N -3.32 0.12 0.03 4.08 -7.23 -1.17 -1.33 120.40 111.58 3gfl s VAL 80 Ca -0.07 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 3gfl s VAL 80 Cb 0.12 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 3gfl s VAL 80 CO 0.87 -0.53 -0.04 0.68 -0.31 0.00 0.00 175.10 175.77 3gfl s VAL 81 N -3.97 0.24 -0.26 1.32 -7.23 0.70 -4.22 120.40 106.99 3gfl s VAL 81 Ca 0.15 -1.14 -0.18 0.00 -1.81 0.00 0.00 61.98 59.01 3gfl s VAL 81 Cb 0.06 -0.60 -0.03 0.00 0.56 0.00 0.00 36.38 36.37 3gfl s VAL 81 CO -0.03 -0.57 0.53 -0.13 -0.31 0.00 0.00 175.10 174.59 3gfl s ARG 82 N -1.99 4.07 -0.15 4.82 0.52 -1.26 -0.98 118.95 123.98 3gfl s ARG 82 Ca -0.10 0.35 -0.05 0.00 -0.52 0.00 0.00 55.73 55.41 3gfl s ARG 82 Cb -0.06 -3.65 -0.04 0.00 0.52 0.00 0.00 34.95 31.72 3gfl s ARG 82 CO -0.02 -0.36 0.04 0.08 0.02 0.00 0.00 175.30 175.05 3gfl s VAL 83 N 2.34 4.60 0.11 3.52 1.01 0.07 -4.96 120.40 127.09 3gfl s VAL 83 Ca 0.22 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.16 3gfl s VAL 83 Cb -0.16 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3gfl s VAL 83 CO 0.09 0.52 -0.14 -0.13 0.00 0.00 0.00 175.10 175.44 3gfl s ARG 84 N -0.12 1.94 0.29 2.72 0.52 -1.26 -1.66 118.95 121.38 3gfl s ARG 84 Ca 0.06 -1.11 -0.29 0.00 -0.52 0.00 0.00 55.73 53.87 3gfl s ARG 84 Cb -0.12 -2.20 -0.10 0.00 0.52 0.00 0.00 34.95 33.04 3gfl s ARG 84 CO 0.01 0.49 1.28 0.34 0.02 0.00 0.00 175.30 177.45 3gfl s ASP 85 N -2.18 6.88 0.51 0.23 2.15 -1.13 -4.91 116.67 118.22 3gfl s ASP 85 Ca 0.20 2.56 0.23 0.00 0.43 0.00 0.00 52.55 55.96 3gfl s ASP 85 Cb -0.11 -2.64 1.32 0.00 -0.30 0.00 0.00 42.92 41.19 3gfl s ASP 85 CO 0.12 -0.47 1.99 0.08 -0.17 0.00 0.00 175.17 176.72 3gfl h ARG 86 N 3.94 0.09 0.00 4.34 0.11 -1.99 -2.64 114.38 118.23 3gfl h ARG 86 Ca -0.48 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.60 3gfl h ARG 86 Cb 1.22 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.28 3gfl h ARG 86 CO 0.69 0.06 -1.33 0.39 0.10 0.00 0.00 179.97 179.87 3gfl n GLU 87 N -4.40 1.07 -3.38 0.08 1.02 -1.26 -4.84 120.64 108.92 3gfl n GLU 87 Ca 0.10 -0.09 -0.18 0.00 -0.02 0.00 0.00 57.16 56.97 3gfl n GLU 87 Cb 0.56 -1.29 -0.08 0.00 -0.02 0.00 0.00 31.44 30.61 3gfl n GLU 87 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3gfl s ASP 88 N -3.24 1.42 0.00 1.62 2.15 -1.01 -4.99 116.67 112.63 3gfl s ASP 88 Ca -0.02 -1.35 0.08 0.00 0.43 0.00 0.00 52.55 51.69 3gfl s ASP 88 Cb 0.10 0.49 0.34 0.00 -0.30 0.00 0.00 42.92 43.55 3gfl s ASP 88 CO 0.60 -0.30 1.21 -2.11 -0.17 0.00 0.00 175.17 174.40 3gfl n ARG 89 N 4.57 0.03 0.02 4.34 1.85 -1.15 -1.95 116.66 124.37 3gfl n ARG 89 Ca 0.07 0.33 -0.04 0.00 -1.00 0.00 0.00 57.85 57.21 3gfl n ARG 89 Cb 0.45 -1.50 0.17 0.00 -1.05 0.00 0.00 32.46 30.53 3gfl n ARG 89 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3gfl h ALA 90 N 2.29 1.02 -1.90 2.89 0.00 -1.94 -3.41 119.26 118.20 3gfl h ALA 90 Ca 0.00 -0.39 -0.57 0.00 0.00 0.00 0.00 54.91 53.96 3gfl h ALA 90 Cb 0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3gfl h ALA 90 CO 0.00 0.59 1.01 0.15 0.00 0.00 0.00 179.25 181.01 3gfl s LYS 91 N -4.35 3.79 -0.00 0.00 1.02 -0.82 -5.00 119.74 114.37 3gfl s LYS 91 Ca -0.07 1.16 0.06 0.00 0.02 0.00 0.00 55.97 57.15 3gfl s LYS 91 Cb 0.13 -3.94 -0.03 0.00 -0.52 0.00 0.00 37.83 33.48 3gfl s LYS 91 CO 0.80 -1.28 -0.18 0.42 -0.92 0.00 0.00 175.35 174.19 3gfl s ILE 92 N 4.77 2.77 0.00 2.17 1.01 -1.26 -2.85 121.20 127.82 3gfl s ILE 92 Ca 0.59 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 60.27 3gfl s ILE 92 Cb -0.16 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 3gfl s ILE 92 CO 0.27 0.46 -0.13 -0.76 0.00 0.00 0.00 174.94 174.78 3gfl s LEU 93 N -1.06 2.07 -0.30 2.97 1.43 -0.66 -4.55 118.68 118.57 3gfl s LEU 93 Ca 0.13 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 3gfl s LEU 93 Cb -0.10 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 3gfl s LEU 93 CO 0.03 0.11 0.36 -0.63 0.23 0.00 0.00 176.35 176.45 3gfl s ILE 94 N -0.46 5.17 -0.08 -0.59 -1.09 0.97 -0.75 121.20 124.37 3gfl s ILE 94 Ca 0.04 0.36 0.01 0.00 -2.23 0.00 0.00 60.65 58.83 3gfl s ILE 94 Cb -0.06 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.06 3gfl s ILE 94 CO 0.00 0.07 -0.11 -0.70 -1.23 0.00 0.00 174.94 172.96 3gfl s GLU 95 N 2.05 2.90 0.45 2.79 2.12 -0.16 -1.72 118.70 127.14 3gfl s GLU 95 Ca 0.13 -0.64 -0.20 0.00 0.36 0.00 0.00 54.97 54.62 3gfl s GLU 95 Cb -0.16 -2.54 -0.10 0.00 0.26 0.00 0.00 34.13 31.59 3gfl s GLU 95 CO 0.11 0.49 0.98 -1.50 -0.54 0.00 0.00 175.26 174.80 3gfl s ILE 96 N -0.36 4.19 0.46 -3.70 2.07 -1.26 -0.21 121.20 122.39 3gfl s ILE 96 Ca 0.04 1.35 0.08 0.00 -1.41 0.00 0.00 60.65 60.71 3gfl s ILE 96 Cb -0.12 -3.55 0.02 0.00 0.13 0.00 0.00 42.46 38.93 3gfl s ILE 96 CO 0.02 -0.31 0.57 0.42 -1.91 0.00 0.00 174.94 173.73 3gfl s THR 97 N -2.14 2.68 0.21 4.00 -4.23 -0.45 -4.85 115.64 110.87 3gfl s THR 97 Ca 0.64 -1.10 -0.10 0.00 -1.18 0.00 0.00 61.69 59.94 3gfl s THR 97 Cb -0.11 -2.78 0.16 0.00 1.34 0.00 0.00 72.50 71.10 3gfl s THR 97 CO 0.16 0.00 1.88 -0.08 -0.54 0.00 0.00 174.62 176.04 3gfl h GLU 98 N 0.63 1.00 -0.51 3.99 4.81 -1.89 0.24 114.58 122.85 3gfl h GLU 98 Ca -0.38 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.71 3gfl h GLU 98 Cb 1.28 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 3gfl h GLU 98 CO 0.47 0.66 0.00 -0.22 -0.73 0.00 0.00 179.01 179.20 3gfl h LYS 99 N 1.03 0.85 -0.72 1.92 1.63 -1.90 -1.81 116.57 117.57 3gfl h LYS 99 Ca 0.28 -0.24 -0.05 0.00 -0.85 0.00 0.00 60.65 59.79 3gfl h LYS 99 Cb -0.11 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.39 3gfl h LYS 99 CO -0.06 0.85 0.26 0.78 -3.45 0.00 0.00 179.45 177.84 3gfl h GLY 100 N 0.99 1.17 1.46 5.01 0.00 -1.25 -1.56 103.07 108.89 3gfl h GLY 100 Ca 0.15 -0.65 -0.12 0.00 0.00 0.00 0.00 47.33 46.72 3gfl h GLY 100 CO 0.02 0.61 -0.31 1.41 0.00 0.00 0.00 176.54 178.27 3gfl h LEU 101 N 1.06 0.63 -0.60 3.11 3.38 -0.17 0.21 115.31 122.92 3gfl h LEU 101 Ca 0.24 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3gfl h LEU 101 Cb 0.24 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3gfl h LEU 101 CO -0.02 0.90 -0.16 -0.33 0.09 0.00 0.00 178.44 178.92 3gfl h GLU 102 N 0.52 0.94 -0.25 1.13 5.08 -1.05 -1.02 114.58 119.93 3gfl h GLU 102 Ca 0.06 -0.37 -0.14 0.00 -1.00 0.00 0.00 59.36 57.91 3gfl h GLU 102 Cb 0.79 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 3gfl h GLU 102 CO 0.06 1.03 -0.41 1.15 -1.00 0.00 0.00 179.01 179.85 3gfl h THR 103 N 0.82 1.31 -0.70 1.13 2.02 -1.11 -2.46 112.91 113.92 3gfl h THR 103 Ca 0.12 -1.61 0.04 0.00 0.77 0.00 0.00 66.41 65.74 3gfl h THR 103 Cb 0.71 1.72 -0.05 0.00 -1.74 0.00 0.00 68.15 68.80 3gfl h THR 103 CO 0.05 0.51 0.42 0.15 0.37 0.00 0.00 175.52 177.03 3gfl h PHE 104 N 0.44 0.79 -0.89 3.16 3.57 -0.83 0.39 116.94 123.56 3gfl h PHE 104 Ca 0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3gfl h PHE 104 Cb 1.00 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 3gfl h PHE 104 CO 0.08 0.42 0.53 -0.91 -2.23 0.00 0.00 178.31 176.20 3gfl h ASN 105 N 0.81 1.08 -0.15 0.41 -0.26 -1.07 0.26 115.58 116.65 3gfl h ASN 105 Ca 0.29 -0.07 -0.11 0.00 -0.56 0.00 0.00 56.30 55.85 3gfl h ASN 105 Cb 0.09 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.06 3gfl h ASN 105 CO -0.14 0.84 -0.28 0.11 -1.06 0.00 0.00 177.43 176.90 3gfl h LYS 106 N 1.23 0.63 -0.48 0.81 1.57 -0.87 -2.42 116.57 117.04 3gfl h LYS 106 Ca 0.32 -0.27 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 3gfl h LYS 106 Cb -0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3gfl h LYS 106 CO -0.06 0.84 -0.20 0.78 -0.57 0.00 0.00 179.45 180.24 3gfl h GLY 107 N 1.00 1.06 1.98 3.86 0.00 0.22 -2.33 103.07 108.86 3gfl h GLY 107 Ca 0.07 -0.92 -0.07 0.00 0.00 0.00 0.00 47.33 46.41 3gfl h GLY 107 CO 0.06 0.84 -0.33 1.19 0.00 0.00 0.00 176.54 178.30 3gfl h ILE 108 N 0.85 1.24 -0.27 2.60 6.09 -0.39 -0.96 117.51 126.68 3gfl h ILE 108 Ca 0.11 -1.16 -0.16 0.00 -1.37 0.00 0.00 64.86 62.28 3gfl h ILE 108 Cb 0.77 1.61 -0.00 0.00 0.47 0.00 0.00 36.82 39.66 3gfl h ILE 108 CO 0.06 0.33 -0.49 -0.33 -3.07 0.00 0.00 178.15 174.65 3gfl h GLU 109 N 0.03 0.73 -0.57 2.19 4.39 -1.20 0.16 114.58 120.30 3gfl h GLU 109 Ca 0.00 -0.43 -0.05 0.00 0.34 0.00 0.00 59.36 59.22 3gfl h GLU 109 Cb 0.60 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 3gfl h GLU 109 CO 0.04 1.05 0.15 0.82 -1.16 0.00 0.00 179.01 179.92 3gfl h ILE 110 N 0.58 1.25 -0.30 3.13 2.04 -0.93 -1.29 117.51 121.98 3gfl h ILE 110 Ca 0.03 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 3gfl h ILE 110 Cb 1.06 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3gfl h ILE 110 CO 0.10 0.32 0.11 0.22 0.00 0.00 0.00 178.15 178.91 3gfl h TYR 111 N 0.82 0.46 -0.11 1.37 3.20 -0.94 -2.07 116.97 119.70 3gfl h TYR 111 Ca 0.18 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.05 3gfl h TYR 111 Cb 0.33 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 3gfl h TYR 111 CO 0.02 0.46 -0.10 -0.22 -1.64 0.00 0.00 178.16 176.68 3gfl h LYS 112 N 0.33 -0.12 -0.61 1.82 3.64 -0.40 0.13 116.57 121.36 3gfl h LYS 112 Ca 0.10 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3gfl h LYS 112 Cb 0.20 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3gfl h LYS 112 CO -0.01 -0.08 0.40 0.87 -2.27 0.00 0.00 179.45 178.36 3gfl h LYS 113 N -0.12 0.78 -0.61 1.90 1.57 -1.14 -1.19 116.57 117.75 3gfl h LYS 113 Ca 0.08 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3gfl h LYS 113 Cb 0.23 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3gfl h LYS 113 CO -0.18 0.51 0.18 1.25 -0.57 0.00 0.00 179.45 180.64 3gfl h LEU 114 N 0.80 0.90 -0.65 2.94 5.85 -1.06 -1.87 115.31 122.22 3gfl h LEU 114 Ca 0.23 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3gfl h LEU 114 Cb -0.06 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 3gfl h LEU 114 CO -0.07 0.88 0.38 0.00 -0.34 0.00 0.00 178.44 179.30 3gfl h ALA 115 N 1.06 0.83 -0.77 1.25 0.00 -0.57 -1.00 119.26 120.06 3gfl h ALA 115 Ca 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gfl h ALA 115 Cb 0.31 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3gfl h ALA 115 CO -0.00 0.32 0.46 -0.91 0.00 0.00 0.00 179.25 179.12 3gfl h ASN 116 N 0.89 0.92 0.63 0.00 2.35 -0.96 -1.86 115.58 117.54 3gfl h ASN 116 Ca 0.23 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 3gfl h ASN 116 Cb -0.01 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.14 3gfl h ASN 116 CO -0.04 0.72 -0.30 -0.33 -1.65 0.00 0.00 177.43 175.82 3gfl h GLU 117 N 1.05 -0.81 0.00 0.81 5.08 -0.77 -2.02 114.58 117.92 3gfl h GLU 117 Ca 0.28 0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 3gfl h GLU 117 Cb -0.04 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3gfl h GLU 117 CO -0.05 -0.52 -0.13 -0.39 -1.00 0.00 0.00 179.01 176.92 3gfl h VAL 118 N -0.90 0.88 -0.69 3.13 -1.51 -1.13 -1.81 116.25 114.22 3gfl h VAL 118 Ca -0.09 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 3gfl h VAL 118 Cb 0.67 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3gfl h VAL 118 CO 0.14 0.13 0.00 0.35 -1.23 0.00 0.00 177.57 176.96 3gfl n THR 119 N -4.08 1.36 -0.13 7.19 -2.24 -0.71 -4.60 114.28 111.07 3gfl n THR 119 Ca -0.02 -1.06 0.27 0.00 -2.27 0.00 0.00 64.05 60.97 3gfl n THR 119 Cb 0.21 0.31 0.72 0.00 -2.10 0.00 0.00 70.33 69.47 3gfl n THR 119 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3gfl h GLY 120 N 4.34 0.00 2.00 3.38 0.00 -0.55 0.59 103.07 112.83 3gfl h GLY 120 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gfl h GLY 120 CO 0.11 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 176.10 3gfl h ASP 121 N 0.00 0.00 -3.35 0.19 3.32 -1.83 -3.44 116.42 111.31 3gfl h ASP 121 Ca 0.38 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.84 3gfl h ASP 121 Cb 1.55 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.99 3gfl h ASP 121 CO -0.00 0.00 -0.37 -0.76 -1.72 0.00 0.00 179.24 176.38 3gfl s LEU 122 N -4.67 4.21 0.72 1.55 1.43 0.20 -5.08 118.68 117.03 3gfl s LEU 122 Ca 0.09 0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 3gfl s LEU 122 Cb 0.11 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 44.06 3gfl s LEU 122 CO 0.56 0.09 1.07 -0.94 0.23 0.00 0.00 176.35 177.36 3gfl s SER 123 N 0.60 5.19 0.25 2.29 1.04 -1.26 -4.74 113.70 117.07 3gfl s SER 123 Ca 0.14 1.53 -0.07 0.00 0.48 0.00 0.00 55.95 58.03 3gfl s SER 123 Cb -0.13 -2.37 0.46 0.00 0.10 0.00 0.00 66.02 64.07 3gfl s SER 123 CO 0.03 -1.55 1.62 -0.33 0.98 0.00 0.00 173.24 173.99 3gfl h GLU 124 N -0.80 0.08 -0.27 4.02 3.07 -1.98 0.45 114.58 119.15 3gfl h GLU 124 Ca -0.45 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3gfl h GLU 124 Cb 1.22 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 3gfl h GLU 124 CO 0.58 0.05 0.17 -0.44 -1.40 0.00 0.00 179.01 177.97 3gfl h ASP 125 N 0.08 0.32 -0.86 1.42 3.45 -1.99 -0.96 116.42 117.88 3gfl h ASP 125 Ca 0.43 -0.03 0.03 0.00 0.43 0.00 0.00 57.03 57.88 3gfl h ASP 125 Cb 0.76 -0.08 -0.05 0.00 -0.56 0.00 0.00 39.33 39.40 3gfl h ASP 125 CO -0.71 0.26 0.57 -0.33 -1.57 0.00 0.00 179.24 177.46 3gfl h GLU 126 N 0.36 1.05 -0.51 3.56 5.08 -1.41 0.13 114.58 122.84 3gfl h GLU 126 Ca 0.10 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3gfl h GLU 126 Cb -0.01 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 3gfl h GLU 126 CO -0.02 0.70 0.13 0.28 -1.00 0.00 0.00 179.01 179.10 3gfl h VAL 127 N 1.09 1.21 0.04 3.13 2.07 -0.36 -2.28 116.25 121.15 3gfl h VAL 127 Ca 0.34 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 3gfl h VAL 127 Cb 0.00 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3gfl h VAL 127 CO -0.10 0.28 -0.02 0.40 0.02 0.00 0.00 177.57 178.15 3gfl h ILE 128 N 0.74 1.16 -0.32 4.57 1.08 0.30 -2.06 117.51 122.98 3gfl h ILE 128 Ca 0.17 -0.65 0.06 0.00 -0.39 0.00 0.00 64.86 64.05 3gfl h ILE 128 Cb 0.26 1.59 -0.06 0.00 -3.07 0.00 0.00 36.82 35.54 3gfl h ILE 128 CO -0.00 0.16 -0.04 -0.07 -0.69 0.00 0.00 178.15 177.50 3gfl h LEU 129 N -0.34 -0.23 0.13 1.44 4.07 -0.95 -1.93 115.31 117.51 3gfl h LEU 129 Ca -0.01 0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 3gfl h LEU 129 Cb 0.31 0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.22 3gfl h LEU 129 CO 0.01 -0.07 -0.07 0.58 -1.08 0.00 0.00 178.44 177.81 3gfl h VAL 130 N 0.04 0.86 0.14 1.22 2.07 -1.41 -2.63 116.25 116.54 3gfl h VAL 130 Ca 0.16 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.69 3gfl h VAL 130 Cb 0.23 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3gfl h VAL 130 CO -0.30 0.00 -0.29 0.25 0.02 0.00 0.00 177.57 177.25 3gfl h LEU 131 N -0.18 -0.83 -0.66 2.57 5.85 -1.14 0.07 115.31 120.98 3gfl h LEU 131 Ca -0.02 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.92 3gfl h LEU 131 Cb 0.15 0.31 -0.09 0.00 0.37 0.00 0.00 40.66 41.40 3gfl h LEU 131 CO 0.02 -0.39 0.21 0.44 -0.34 0.00 0.00 178.44 178.39 3gfl h ASP 132 N -0.52 0.15 0.00 1.25 5.19 -1.36 -1.41 116.42 119.71 3gfl h ASP 132 Ca 0.03 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 3gfl h ASP 132 Cb 0.54 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.16 3gfl h ASP 132 CO -0.16 0.07 -0.00 0.11 -3.12 0.00 0.00 179.24 176.14 3gfl h LYS 133 N 0.36 -0.00 0.00 3.56 1.57 -1.16 -3.20 116.57 117.69 3gfl h LYS 133 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3gfl h LYS 133 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3gfl h LYS 133 CO -0.38 0.55 0.00 -0.84 -0.57 0.00 0.00 179.45 178.21 3gfl h ILE 134 N -0.55 0.00 0.00 1.86 3.07 -0.88 -1.33 117.51 119.68 3gfl h ILE 134 Ca -0.00 -0.31 -0.05 0.00 1.55 0.00 0.00 64.86 66.05 3gfl h ILE 134 Cb 0.55 1.29 -0.01 0.00 -0.27 0.00 0.00 36.82 38.38 3gfl h ILE 134 CO 0.00 0.00 -0.22 0.28 -1.05 0.00 0.00 178.15 177.16 3gfl h SER 135 N 0.00 0.00 0.29 2.16 0.02 -1.25 -0.94 113.55 113.83 3gfl h SER 135 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 3gfl h SER 135 Cb 0.31 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 3gfl h SER 135 CO 0.00 0.22 -0.79 0.11 -1.14 0.00 0.00 176.83 175.23 3gfl h LYS 136 N 0.00 0.40 -0.45 3.45 1.57 -1.31 -2.35 116.57 117.87 3gfl h LYS 136 Ca -0.00 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.38 3gfl h LYS 136 Cb 0.39 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3gfl h LYS 136 CO 0.03 1.00 0.11 0.82 -0.57 0.00 0.00 179.45 180.85 3gfl h ILE 137 N 0.26 1.23 -0.57 1.86 2.04 -1.28 -2.22 117.51 118.82 3gfl h ILE 137 Ca -0.04 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 3gfl h ILE 137 Cb 1.38 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 3gfl h ILE 137 CO 0.14 0.29 0.30 0.25 0.00 0.00 0.00 178.15 179.12 3gfl h LEU 138 N 0.60 0.73 -0.68 1.44 5.85 -1.15 -1.30 115.31 120.80 3gfl h LEU 138 Ca 0.14 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3gfl h LEU 138 Cb 0.32 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3gfl h LEU 138 CO 0.00 0.62 0.43 0.50 -0.34 0.00 0.00 178.44 179.66 3gfl h LYS 139 N 0.77 0.83 -0.05 1.25 3.64 -1.24 -1.65 116.57 120.13 3gfl h LYS 139 Ca 0.20 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3gfl h LYS 139 Cb 0.07 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3gfl h LYS 139 CO -0.03 0.55 -0.01 0.00 -2.27 0.00 0.00 179.45 177.69 3gfl h ARG 140 N 0.86 0.09 -0.16 1.90 2.47 -1.07 -2.21 114.38 116.26 3gfl h ARG 140 Ca 0.27 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.90 3gfl h ARG 140 Cb -0.02 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 3gfl h ARG 140 CO -0.09 0.43 -0.10 0.97 0.56 0.00 0.00 179.97 181.73 3gfl h ILE 141 N -0.25 1.17 -0.04 2.04 6.09 -1.16 0.12 117.51 125.48 3gfl h ILE 141 Ca 0.01 -0.73 -0.13 0.00 -1.37 0.00 0.00 64.86 62.64 3gfl h ILE 141 Cb 0.39 1.17 -0.01 0.00 0.47 0.00 0.00 36.82 38.83 3gfl h ILE 141 CO 0.00 0.23 -0.58 -0.33 -3.07 0.00 0.00 178.15 174.40 3gfl h GLU 142 N 0.24 0.13 -0.15 2.19 5.08 -1.25 0.16 114.58 120.97 3gfl h GLU 142 Ca 0.05 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 3gfl h GLU 142 Cb 0.34 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3gfl h GLU 142 CO 0.02 0.67 -0.64 0.93 -1.00 0.00 0.00 179.01 178.99 3gfl h GLU 143 N 0.10 0.57 0.06 2.33 5.08 -0.64 -3.18 114.58 118.90 3gfl h GLU 143 Ca -0.00 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3gfl h GLU 143 Cb 1.06 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3gfl h GLU 143 CO 0.08 1.02 -0.03 0.82 -1.00 0.00 0.00 179.01 179.91 3gfl h ILE 144 N 0.41 1.23 0.00 3.13 2.04 -0.46 -3.35 117.51 120.52 3gfl h ILE 144 Ca -0.01 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.37 3gfl h ILE 144 Cb 1.21 2.12 -0.00 0.00 -0.74 0.00 0.00 36.82 39.41 3gfl h ILE 144 CO 0.12 0.34 -0.11 0.77 0.00 0.00 0.00 178.15 179.27 3gfl h SER 145 N -0.79 0.00 0.00 1.72 4.64 -0.81 -3.51 113.55 114.81 3gfl h SER 145 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3gfl h SER 145 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3gfl h SER 145 CO 0.01 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.08