#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fbi n PRO 6 N 0.00 0.35 -3.09 5.56 -0.04 -1.26 -4.89 135.00 131.62 2fbi n PRO 6 Ca 0.00 0.17 -0.43 0.00 -0.04 0.00 0.00 63.50 63.20 2fbi n PRO 6 Cb 0.00 -2.04 -0.06 0.00 -0.04 0.00 0.00 33.50 31.36 2fbi n PRO 6 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2fbi s SER 7 N -1.62 6.30 0.19 3.54 0.15 -1.26 -4.91 113.70 116.09 2fbi s SER 7 Ca 0.69 -0.49 -0.13 0.00 0.70 0.00 0.00 55.95 56.73 2fbi s SER 7 Cb -0.34 -2.32 0.22 0.00 -1.71 0.00 0.00 66.02 61.87 2fbi s SER 7 CO 0.55 -0.86 1.68 0.25 1.20 0.00 0.00 173.24 176.06 2fbi h LEU 8 N 9.84 -0.20 -0.04 3.45 5.85 -1.98 -0.80 115.31 131.43 2fbi h LEU 8 Ca -0.26 0.12 -0.15 0.00 0.84 0.00 0.00 57.88 58.43 2fbi h LEU 8 Cb 1.09 0.22 0.01 0.00 0.37 0.00 0.00 40.66 42.35 2fbi h LEU 8 CO 0.93 -0.07 -0.57 0.71 -0.34 0.00 0.00 178.44 179.11 2fbi h THR 9 N 0.13 1.40 -0.87 1.05 1.35 -1.99 0.25 112.91 114.24 2fbi h THR 9 Ca 0.27 -1.99 0.03 0.00 -0.55 0.00 0.00 66.41 64.18 2fbi h THR 9 Cb 0.41 2.45 -0.05 0.00 -1.73 0.00 0.00 68.15 69.24 2fbi h THR 9 CO -0.44 0.58 0.56 0.25 -0.25 0.00 0.00 175.52 176.23 2fbi h LEU 10 N -0.03 0.93 -0.79 3.87 5.85 -1.98 -2.73 115.31 120.44 2fbi h LEU 10 Ca -0.06 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2fbi h LEU 10 Cb 1.25 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 2fbi h LEU 10 CO 0.11 0.65 0.36 0.74 -0.34 0.00 0.00 178.44 179.96 2fbi h THR 11 N 1.09 1.25 -0.75 1.05 2.02 -1.00 -0.49 112.91 116.08 2fbi h THR 11 Ca 0.34 -0.74 0.12 0.00 0.77 0.00 0.00 66.41 66.90 2fbi h THR 11 Cb -0.01 0.27 -0.08 0.00 -1.74 0.00 0.00 68.15 66.59 2fbi h THR 11 CO -0.11 0.31 0.35 -0.07 0.37 0.00 0.00 175.52 176.37 2fbi h LEU 12 N 1.13 0.42 -0.15 2.58 3.38 -0.84 -0.05 115.31 121.78 2fbi h LEU 12 Ca 0.27 0.08 -0.20 0.00 0.09 0.00 0.00 57.88 58.12 2fbi h LEU 12 Cb 0.15 0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.93 2fbi h LEU 12 CO -0.03 0.20 -0.68 0.25 0.09 0.00 0.00 178.44 178.27 2fbi h LEU 13 N 0.56 0.86 -0.35 1.67 5.85 -1.03 -1.78 115.31 121.08 2fbi h LEU 13 Ca 0.39 -0.63 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 2fbi h LEU 13 Cb 0.51 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2fbi h LEU 13 CO -0.33 1.34 0.12 1.56 -0.34 0.00 0.00 178.44 180.79 2fbi h GLN 14 N 0.43 0.54 -0.96 1.25 4.20 -1.04 -0.97 115.11 118.56 2fbi h GLN 14 Ca -0.04 -0.11 0.12 0.00 0.06 0.00 0.00 58.65 58.68 2fbi h GLN 14 Cb 1.32 -0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.94 2fbi h GLN 14 CO 0.14 0.55 0.61 0.00 -0.67 0.00 0.00 178.83 179.47 2fbi h ALA 15 N 0.96 1.61 -0.25 3.87 0.00 -1.03 -0.88 119.26 123.55 2fbi h ALA 15 Ca 0.12 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2fbi h ALA 15 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2fbi h ALA 15 CO -0.01 0.15 -0.30 -0.09 0.00 0.00 0.00 179.25 179.01 2fbi h ARG 16 N 0.91 0.52 -0.06 0.00 2.43 -0.92 -2.11 114.38 115.15 2fbi h ARG 16 Ca 0.47 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2fbi h ARG 16 Cb 0.52 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2fbi h ARG 16 CO -0.23 0.77 0.01 0.93 -1.51 0.00 0.00 179.97 179.93 2fbi h GLU 17 N 0.45 0.10 -0.69 0.20 4.39 -0.38 0.83 114.58 119.49 2fbi h GLU 17 Ca 0.06 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.81 2fbi h GLU 17 Cb 0.75 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.28 2fbi h GLU 17 CO 0.06 0.35 -0.50 0.00 -1.16 0.00 0.00 179.01 177.76 2fbi h ALA 18 N 0.75 -0.43 -0.64 3.43 0.00 -1.10 -2.04 119.26 119.23 2fbi h ALA 18 Ca 0.02 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2fbi h ALA 18 Cb 0.30 1.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 2fbi h ALA 18 CO 0.00 -0.89 0.28 0.00 0.00 0.00 0.00 179.25 178.64 2fbi h ALA 19 N 0.52 1.29 0.00 0.00 0.00 -1.23 -2.86 119.26 116.99 2fbi h ALA 19 Ca 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2fbi h ALA 19 Cb 0.54 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2fbi h ALA 19 CO -0.76 0.54 -0.09 0.52 0.00 0.00 0.00 179.25 179.45 2fbi h MET 20 N 0.91 0.00 0.00 0.00 2.07 -0.14 -1.46 114.93 116.31 2fbi h MET 20 Ca 0.22 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.84 2fbi h MET 20 Cb 0.14 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.86 2fbi h MET 20 CO -0.02 0.09 -0.05 0.66 1.07 0.00 0.00 176.91 178.66 2fbi h SER 21 N 0.00 0.00 1.26 1.22 4.64 -1.18 0.34 113.55 119.84 2fbi h SER 21 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2fbi h SER 21 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2fbi h SER 21 CO 0.01 0.05 -0.15 -0.26 -0.87 0.00 0.00 176.83 175.60 2fbi h PHE 22 N 0.00 0.00 0.00 4.77 0.04 -1.42 -3.35 116.94 116.98 2fbi h PHE 22 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2fbi h PHE 22 Cb 0.21 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 2fbi h PHE 22 CO 0.00 0.15 -1.52 1.19 -0.60 0.00 0.00 178.31 177.54 2fbi n PHE 23 N -3.23 0.00 -0.12 -0.55 3.72 -0.69 -4.72 117.46 111.88 2fbi n PHE 23 Ca 0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.38 2fbi n PHE 23 Cb 0.46 -0.27 0.18 0.00 -0.94 0.00 0.00 39.48 38.91 2fbi n PHE 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2fbi h ARG 24 N 0.00 0.81 -0.48 -1.08 3.08 -1.10 -2.41 114.38 113.20 2fbi h ARG 24 Ca -0.02 -0.18 0.03 0.00 0.07 0.00 0.00 59.98 59.87 2fbi h ARG 24 Cb 0.58 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 2fbi h ARG 24 CO 0.00 0.76 0.27 -1.35 -1.07 0.00 0.00 179.97 178.59 2fbi h PRO 25 N 0.78 0.53 -0.46 0.04 0.11 -1.84 4.14 132.00 135.30 2fbi h PRO 25 Ca 0.16 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 2fbi h PRO 25 Cb 0.35 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 2fbi h PRO 25 CO 0.01 0.35 0.05 0.77 -0.21 0.00 0.00 178.00 178.97 2fbi h SER 26 N 0.55 0.67 -0.04 -2.05 0.02 -1.79 2.89 113.55 113.81 2fbi h SER 26 Ca 0.20 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2fbi h SER 26 Cb 0.04 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 2fbi h SER 26 CO -0.10 0.71 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.19 2fbi h LEU 27 N 0.68 0.10 -0.03 5.07 3.38 -0.93 0.82 115.31 124.41 2fbi h LEU 27 Ca 0.14 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2fbi h LEU 27 Cb 0.35 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2fbi h LEU 27 CO 0.01 0.57 -0.02 0.78 0.09 0.00 0.00 178.44 179.87 2fbi h ASN 28 N -0.38 -0.08 -0.71 -0.43 2.35 0.87 -1.18 115.58 116.03 2fbi h ASN 28 Ca 0.01 0.01 0.20 0.00 -0.55 0.00 0.00 56.30 55.97 2fbi h ASN 28 Cb 0.55 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 2fbi h ASN 28 CO 0.01 -0.01 0.87 1.56 -1.65 0.00 0.00 177.43 178.20 2fbi h GLN 29 N -0.01 0.00 -0.23 0.81 4.20 0.51 0.41 115.11 120.80 2fbi h GLN 29 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2fbi h GLN 29 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2fbi h GLN 29 CO -0.03 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.85 2fbi n HIS 30 N -3.38 0.29 -3.48 2.96 8.25 0.28 -4.98 115.22 115.16 2fbi n HIS 30 Ca 0.15 -0.20 -0.20 0.00 -0.26 0.00 0.00 57.72 57.21 2fbi n HIS 30 Cb 1.10 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 32.27 2fbi n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2fbi n GLY 31 N 1.04 -0.74 3.07 -1.41 0.00 0.14 -5.03 105.19 102.26 2fbi n GLY 31 Ca 0.13 0.34 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 2fbi n GLY 31 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2fbi s LEU 32 N -6.12 2.27 0.44 0.99 2.34 -0.57 -5.05 118.68 112.98 2fbi s LEU 32 Ca 0.25 -0.58 -0.16 0.00 0.06 0.00 0.00 54.13 53.70 2fbi s LEU 32 Cb -0.05 -0.17 -0.08 0.00 -0.56 0.00 0.00 46.19 45.33 2fbi s LEU 32 CO 0.78 -0.22 0.89 0.42 -1.06 0.00 0.00 176.35 177.16 2fbi s THR 33 N -1.50 4.58 0.49 5.48 -4.23 -1.26 -4.12 115.64 115.09 2fbi s THR 33 Ca -0.09 1.10 0.16 0.00 -1.18 0.00 0.00 61.69 61.69 2fbi s THR 33 Cb -0.09 -3.68 0.31 0.00 1.34 0.00 0.00 72.50 70.38 2fbi s THR 33 CO 0.00 -0.48 2.08 1.05 -0.54 0.00 0.00 174.62 176.73 2fbi h GLU 34 N 1.45 0.14 0.11 3.99 4.11 -1.98 -1.84 114.58 120.57 2fbi h GLU 34 Ca -0.48 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 58.94 2fbi h GLU 34 Cb 1.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2fbi h GLU 34 CO 0.63 0.09 -0.05 1.96 0.07 0.00 0.00 179.01 181.71 2fbi h GLN 35 N 0.15 -0.14 -0.55 1.06 4.20 -1.97 0.14 115.11 117.99 2fbi h GLN 35 Ca 0.12 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.95 2fbi h GLN 35 Cb 0.29 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.01 2fbi h GLN 35 CO -0.02 0.17 0.02 1.96 -0.67 0.00 0.00 178.83 180.30 2fbi h GLN 36 N -0.47 0.14 -0.65 1.46 4.20 -1.91 -2.19 115.11 115.69 2fbi h GLN 36 Ca -0.02 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 2fbi h GLN 36 Cb 0.38 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2fbi h GLN 36 CO 0.03 0.09 0.09 2.35 -0.67 0.00 0.00 178.83 180.72 2fbi h TRP 37 N 0.14 1.15 -0.38 2.96 2.91 -1.04 -0.54 115.95 121.15 2fbi h TRP 37 Ca 0.29 -0.16 0.05 0.00 1.13 0.00 0.00 58.89 60.19 2fbi h TRP 37 Cb 0.44 -0.31 -0.05 0.00 -0.51 0.00 0.00 29.16 28.73 2fbi h TRP 37 CO -0.32 0.97 0.11 0.00 -1.03 0.00 0.00 178.44 178.18 2fbi h ARG 38 N 0.99 0.24 0.07 2.65 3.08 -0.46 0.30 114.38 121.26 2fbi h ARG 38 Ca 0.19 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 2fbi h ARG 38 Cb 0.45 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2fbi h ARG 38 CO 0.01 0.16 -0.04 0.28 -1.07 0.00 0.00 179.97 179.31 2fbi h VAL 39 N 0.25 0.91 -0.40 2.04 2.07 -1.19 -1.46 116.25 118.47 2fbi h VAL 39 Ca 0.18 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.74 2fbi h VAL 39 Cb 0.18 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2fbi h VAL 39 CO -0.20 0.00 0.15 0.40 0.02 0.00 0.00 177.57 177.94 2fbi h ILE 40 N -0.11 0.90 -0.64 4.57 2.04 -0.82 -0.46 117.51 122.97 2fbi h ILE 40 Ca -0.01 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.81 2fbi h ILE 40 Cb 0.10 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 2fbi h ILE 40 CO 0.01 0.06 0.34 0.03 0.00 0.00 0.00 178.15 178.58 2fbi h ARG 41 N 0.31 0.60 -0.21 2.37 2.47 -0.31 0.88 114.38 120.50 2fbi h ARG 41 Ca 0.18 -0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.74 2fbi h ARG 41 Cb 0.15 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 2fbi h ARG 41 CO -0.18 0.40 -0.35 0.82 0.56 0.00 0.00 179.97 181.22 2fbi h ILE 42 N 0.62 1.32 -0.17 2.04 2.04 -0.83 -2.12 117.51 120.42 2fbi h ILE 42 Ca 0.30 -1.57 -0.08 0.00 1.00 0.00 0.00 64.86 64.51 2fbi h ILE 42 Cb 0.22 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2fbi h ILE 42 CO -0.20 0.49 -0.24 -0.07 0.00 0.00 0.00 178.15 178.13 2fbi h LEU 43 N 0.30 0.29 0.76 1.44 3.38 -0.90 0.95 115.31 121.53 2fbi h LEU 43 Ca 0.02 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2fbi h LEU 43 Cb 0.94 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.62 2fbi h LEU 43 CO 0.08 0.54 -0.37 -0.09 0.09 0.00 0.00 178.44 178.70 2fbi h ARG 44 N 0.27 -0.98 -0.42 1.13 9.65 -0.79 -0.86 114.38 122.38 2fbi h ARG 44 Ca 0.04 0.07 -0.14 0.00 -1.10 0.00 0.00 59.98 58.85 2fbi h ARG 44 Cb 0.57 0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 29.37 2fbi h ARG 44 CO 0.04 -0.64 -0.31 0.37 2.80 0.00 0.00 179.97 182.23 2fbi h GLN 45 N -1.09 0.93 0.00 0.20 5.75 -1.30 -3.31 115.11 116.29 2fbi h GLN 45 Ca -0.10 -0.44 0.00 0.00 -0.15 0.00 0.00 58.65 57.96 2fbi h GLN 45 Cb 0.80 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.34 2fbi h GLN 45 CO 0.17 1.10 -1.10 1.04 -2.65 0.00 0.00 178.83 177.39 2fbi n GLN 46 N -4.08 0.73 0.00 1.69 6.02 0.32 -5.10 117.38 116.96 2fbi n GLN 46 Ca -0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2fbi n GLN 46 Cb 0.50 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.36 2fbi n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2fbi n GLY 47 N 1.43 -1.47 3.71 1.08 0.00 -0.33 -4.90 105.19 104.71 2fbi n GLY 47 Ca 0.02 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 2fbi n GLY 47 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2fbi n GLU 48 N -0.02 1.84 -3.77 1.61 0.28 -1.26 -4.58 120.64 114.74 2fbi n GLU 48 Ca 0.00 0.66 -0.13 0.00 -0.16 0.00 0.00 57.16 57.53 2fbi n GLU 48 Cb 0.00 -2.42 -0.11 0.00 1.43 0.00 0.00 31.44 30.34 2fbi n GLU 48 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 2fbi s MET 49 N -2.38 0.33 0.40 3.44 1.75 0.05 -4.92 119.30 117.97 2fbi s MET 49 Ca 0.64 0.40 -0.26 0.00 -1.25 0.00 0.00 55.69 55.22 2fbi s MET 49 Cb -0.48 0.15 -0.09 0.00 2.84 0.00 0.00 34.83 37.25 2fbi s MET 49 CO 0.56 -0.05 1.33 -2.00 -0.65 0.00 0.00 175.02 174.21 2fbi s GLU 50 N 0.20 3.98 0.34 4.11 -6.30 -1.26 -0.25 118.70 119.52 2fbi s GLU 50 Ca -0.00 2.21 0.10 0.00 -2.50 0.00 0.00 54.97 54.78 2fbi s GLU 50 Cb -0.02 -2.78 0.60 0.00 0.00 0.00 0.00 34.13 31.93 2fbi s GLU 50 CO -0.00 -0.50 1.77 0.66 0.02 0.00 0.00 175.26 177.21 2fbi h SER 51 N 2.72 0.10 -0.04 -1.70 4.64 -1.20 -0.38 113.55 117.68 2fbi h SER 51 Ca -0.50 -0.04 -0.24 0.00 -0.47 0.00 0.00 61.79 60.54 2fbi h SER 51 Cb 1.25 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 63.32 2fbi h SER 51 CO 0.63 0.48 -0.92 1.88 -0.87 0.00 0.00 176.83 178.04 2fbi h TYR 52 N 0.08 1.03 -0.92 4.77 -1.99 -1.92 -2.45 116.97 115.58 2fbi h TYR 52 Ca 0.01 -0.51 0.05 0.00 2.00 0.00 0.00 58.73 60.28 2fbi h TYR 52 Cb 0.73 -0.14 -0.06 0.00 2.00 0.00 0.00 36.73 39.26 2fbi h TYR 52 CO 0.01 1.34 0.59 0.37 -0.00 0.00 0.00 178.16 180.47 2fbi h GLN 53 N 0.45 1.07 -0.03 4.88 4.15 -1.85 -1.30 115.11 122.48 2fbi h GLN 53 Ca -0.09 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.26 2fbi h GLN 53 Cb 1.56 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 29.00 2fbi h GLN 53 CO 0.18 0.71 0.01 1.25 -1.93 0.00 0.00 178.83 179.05 2fbi h LEU 54 N 1.10 0.04 -0.89 -2.39 5.85 -1.02 -1.14 115.31 116.87 2fbi h LEU 54 Ca 0.39 -0.18 0.14 0.00 0.84 0.00 0.00 57.88 59.06 2fbi h LEU 54 Cb 0.10 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.03 2fbi h LEU 54 CO -0.15 0.21 0.50 0.00 -0.34 0.00 0.00 178.44 178.66 2fbi h ALA 55 N 0.83 1.34 0.71 1.25 0.00 -1.30 0.18 119.26 122.27 2fbi h ALA 55 Ca 0.01 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2fbi h ALA 55 Cb 0.19 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2fbi h ALA 55 CO -0.00 0.01 -0.36 -0.97 0.00 0.00 0.00 179.25 177.93 2fbi h ASN 56 N 0.74 -0.86 -0.33 0.00 -0.00 -0.95 -1.11 115.58 113.07 2fbi h ASN 56 Ca 0.47 0.03 -0.09 0.00 -0.00 0.00 0.00 56.30 56.71 2fbi h ASN 56 Cb 0.59 0.23 -0.02 0.00 -0.00 0.00 0.00 38.32 39.12 2fbi h ASN 56 CO -0.32 -0.60 -0.11 1.56 -0.00 0.00 0.00 177.43 177.96 2fbi h GLN 57 N -0.98 0.76 -0.00 6.67 4.20 -0.84 -2.12 115.11 122.79 2fbi h GLN 57 Ca -0.10 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2fbi h GLN 57 Cb 0.76 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.47 2fbi h GLN 57 CO 0.15 0.84 -0.06 0.00 -0.67 0.00 0.00 178.83 179.08 2fbi n ALA 58 N -2.49 2.61 -3.40 3.87 0.00 0.60 -4.94 120.51 116.76 2fbi n ALA 58 Ca 0.01 -0.19 -0.17 0.00 0.00 0.00 0.00 53.44 53.10 2fbi n ALA 58 Cb 0.36 -1.42 0.03 0.00 0.00 0.00 0.00 19.45 18.42 2fbi n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fbi s ILE 60 N -3.23 1.04 0.24 0.00 1.01 -0.50 -5.06 121.20 114.70 2fbi s ILE 60 Ca 0.25 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 2fbi s ILE 60 Cb -0.07 -0.88 -0.09 0.00 0.01 0.00 0.00 42.46 41.44 2fbi s ILE 60 CO 0.80 0.27 0.97 -0.76 0.00 0.00 0.00 174.94 176.22 2fbi s LEU 61 N -0.38 4.62 0.51 2.97 1.43 -1.26 -4.57 118.68 122.00 2fbi s LEU 61 Ca 0.05 2.00 0.24 0.00 -1.03 0.00 0.00 54.13 55.39 2fbi s LEU 61 Cb -0.05 -3.61 1.34 0.00 0.03 0.00 0.00 46.19 43.89 2fbi s LEU 61 CO -0.00 0.09 1.99 0.08 0.23 0.00 0.00 176.35 178.73 2fbi h ARG 62 N 4.18 0.07 -0.15 1.70 0.11 -1.99 -0.45 114.38 117.84 2fbi h ARG 62 Ca -0.45 -0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.48 2fbi h ARG 62 Cb 1.20 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 2fbi h ARG 62 CO 0.68 0.04 -0.52 -1.35 0.10 0.00 0.00 179.97 178.92 2fbi h PRO 63 N 0.07 0.41 0.00 0.08 0.11 -2.03 -3.04 132.00 127.60 2fbi h PRO 63 Ca 0.27 -0.25 -0.12 0.00 0.11 0.00 0.00 66.00 66.01 2fbi h PRO 63 Cb 0.96 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 2fbi h PRO 63 CO -0.02 0.84 -0.57 0.66 -0.21 0.00 0.00 178.00 178.70 2fbi h SER 64 N 0.32 0.00 -0.64 -2.05 4.64 -1.50 -3.28 113.55 111.04 2fbi h SER 64 Ca 0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 2fbi h SER 64 Cb 1.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 2fbi h SER 64 CO 0.09 0.57 0.25 -0.03 -0.87 0.00 0.00 176.83 176.83 2fbi h MET 65 N 0.00 1.00 -0.76 4.77 -1.53 -1.28 -0.38 114.93 116.75 2fbi h MET 65 Ca -0.01 -0.18 0.11 0.00 -3.44 0.00 0.00 59.70 56.19 2fbi h MET 65 Cb 1.17 -0.16 -0.08 0.00 -0.55 0.00 0.00 31.60 31.97 2fbi h MET 65 CO 0.07 0.83 0.38 1.15 0.14 0.00 0.00 176.91 179.48 2fbi h THR 66 N 0.97 0.80 0.11 -0.77 2.02 -1.60 0.99 112.91 115.43 2fbi h THR 66 Ca 0.22 -0.21 -0.29 0.00 0.77 0.00 0.00 66.41 66.91 2fbi h THR 66 Cb 0.22 0.14 0.03 0.00 -1.74 0.00 0.00 68.15 66.80 2fbi h THR 66 CO -0.02 0.11 -1.19 1.23 0.37 0.00 0.00 175.52 176.03 2fbi h GLY 67 N 0.60 0.68 0.34 2.16 0.00 -1.62 -2.01 103.07 103.23 2fbi h GLY 67 Ca 0.39 -1.41 0.03 0.00 0.00 0.00 0.00 47.33 46.34 2fbi h GLY 67 CO -0.31 1.24 -0.31 -2.08 0.00 0.00 0.00 176.54 175.08 2fbi h VAL 68 N 0.22 0.32 -0.56 4.60 2.07 -0.46 -0.97 116.25 121.48 2fbi h VAL 68 Ca -0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2fbi h VAL 68 Cb 1.87 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 2fbi h VAL 68 CO 0.23 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 178.05 2fbi h LEU 69 N -0.48 0.70 -0.90 2.57 3.38 -0.91 -2.03 115.31 117.64 2fbi h LEU 69 Ca 0.06 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2fbi h LEU 69 Cb 0.55 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2fbi h LEU 69 CO -0.25 0.59 0.00 0.00 0.09 0.00 0.00 178.44 178.87 2fbi h ALA 70 N 1.13 1.08 -0.02 1.53 0.00 -1.11 0.32 119.26 122.19 2fbi h ALA 70 Ca 0.20 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2fbi h ALA 70 Cb 0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2fbi h ALA 70 CO -0.03 0.58 0.01 -0.09 0.00 0.00 0.00 179.25 179.72 2fbi h ARG 71 N 0.76 0.03 -0.42 0.00 1.12 -1.10 0.42 114.38 115.19 2fbi h ARG 71 Ca 0.15 -0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.89 2fbi h ARG 71 Cb 0.46 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.40 2fbi h ARG 71 CO 0.02 0.10 -0.23 -0.07 -3.11 0.00 0.00 179.97 176.68 2fbi h LEU 72 N -0.04 0.88 -0.79 3.80 3.38 -1.07 -0.35 115.31 121.12 2fbi h LEU 72 Ca 0.01 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2fbi h LEU 72 Cb 0.07 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2fbi h LEU 72 CO -0.00 1.07 0.41 -0.08 0.09 0.00 0.00 178.44 179.93 2fbi h GLU 73 N 0.74 1.12 -0.15 1.13 4.81 -0.37 -0.58 114.58 121.29 2fbi h GLU 73 Ca 0.10 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 2fbi h GLU 73 Cb 0.77 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2fbi h GLU 73 CO 0.06 0.85 -0.19 -0.09 -0.73 0.00 0.00 179.01 178.91 2fbi h ARG 74 N 1.11 0.25 -0.09 1.92 2.43 0.15 -2.47 114.38 117.67 2fbi h ARG 74 Ca 0.28 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2fbi h ARG 74 Cb 0.07 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2fbi h ARG 74 CO -0.04 0.44 0.00 -0.25 -1.51 0.00 0.00 179.97 178.61 2fbi n ASP 75 N -4.22 0.90 -0.22 -3.80 8.00 -0.24 -4.93 116.55 112.04 2fbi n ASP 75 Ca -0.01 -1.58 -0.03 0.00 0.71 0.00 0.00 54.79 53.88 2fbi n ASP 75 Cb 0.31 -0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.34 2fbi n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2fbi n GLY 76 N 0.97 0.57 0.13 0.44 0.00 -0.93 -4.94 105.19 101.44 2fbi n GLY 76 Ca 0.15 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2fbi n GLY 76 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2fbi h ILE 77 N 0.00 1.26 -2.61 -0.61 1.08 -1.34 -3.37 117.51 111.92 2fbi h ILE 77 Ca -0.06 -2.57 -0.55 0.00 -0.39 0.00 0.00 64.86 61.29 2fbi h ILE 77 Cb 0.40 3.00 -0.15 0.00 -3.07 0.00 0.00 36.82 37.00 2fbi h ILE 77 CO 0.09 0.77 -0.76 0.68 -0.69 0.00 0.00 178.15 178.24 2fbi s VAL 78 N -2.52 2.16 0.01 1.67 -7.23 -1.17 -0.17 120.40 113.14 2fbi s VAL 78 Ca -0.13 -2.27 0.06 0.00 -1.81 0.00 0.00 61.98 57.83 2fbi s VAL 78 Cb 0.03 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 2fbi s VAL 78 CO 0.87 -0.44 -0.19 -0.60 -0.31 0.00 0.00 175.10 174.43 2fbi s ARG 79 N -3.42 2.17 -0.04 4.82 3.52 -0.24 -4.27 118.95 121.49 2fbi s ARG 79 Ca 0.25 -0.90 0.06 0.00 -0.13 0.00 0.00 55.73 55.01 2fbi s ARG 79 Cb -0.04 -2.20 -0.01 0.00 -1.56 0.00 0.00 34.95 31.14 2fbi s ARG 79 CO 0.11 0.56 -0.24 1.03 -0.81 0.00 0.00 175.30 175.95 2fbi s ARG 80 N -1.08 2.31 -0.02 5.12 0.52 -1.26 -1.86 118.95 122.68 2fbi s ARG 80 Ca 0.13 -0.87 -0.11 0.00 -0.52 0.00 0.00 55.73 54.35 2fbi s ARG 80 Cb -0.10 -2.03 0.02 0.00 0.52 0.00 0.00 34.95 33.35 2fbi s ARG 80 CO 0.03 0.41 0.24 1.67 0.02 0.00 0.00 175.30 177.67 2fbi s TRP 81 N -0.27 -0.12 0.10 -0.53 1.48 -0.68 -5.01 118.94 113.91 2fbi s TRP 81 Ca 0.00 0.19 -0.30 0.00 -1.06 0.00 0.00 56.10 54.94 2fbi s TRP 81 Cb -0.12 0.05 -0.06 0.00 -1.16 0.00 0.00 33.47 32.18 2fbi s TRP 81 CO 0.02 -0.32 0.95 0.15 -4.06 0.00 0.00 176.95 173.70 2fbi s LYS 82 N -1.13 4.68 0.07 3.25 1.02 -1.26 -1.19 119.74 125.18 2fbi s LYS 82 Ca -0.12 1.43 -0.31 0.00 0.02 0.00 0.00 55.97 56.99 2fbi s LYS 82 Cb -0.06 -3.38 -0.10 0.00 -0.52 0.00 0.00 37.83 33.77 2fbi s LYS 82 CO 0.03 0.19 1.89 0.00 -0.92 0.00 0.00 175.35 176.54 2fbi n ALA 83 N 2.89 1.83 -0.30 5.17 0.00 -0.43 -4.88 120.51 124.78 2fbi n ALA 83 Ca 0.02 0.27 0.14 0.00 0.00 0.00 0.00 53.44 53.87 2fbi n ALA 83 Cb 0.49 -2.62 0.31 0.00 0.00 0.00 0.00 19.45 17.63 2fbi n ALA 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2fbi h PRO 84 N 9.37 0.32 -0.82 0.00 0.11 -1.94 -0.63 132.00 138.42 2fbi h PRO 84 Ca -0.48 -0.02 -0.47 0.00 0.11 0.00 0.00 66.00 65.14 2fbi h PRO 84 Cb 1.23 -0.07 -0.26 0.00 0.11 0.00 0.00 31.00 32.01 2fbi h PRO 84 CO 0.94 0.21 0.41 0.36 -0.21 0.00 0.00 178.00 179.72 2fbi n LYS 85 N -5.10 2.33 0.00 1.05 2.85 -1.26 -4.63 118.16 113.40 2fbi n LYS 85 Ca 0.22 -3.20 0.00 0.00 -1.05 0.00 0.00 58.31 54.28 2fbi n LYS 85 Cb 0.68 -2.12 0.00 0.00 -0.65 0.00 0.00 35.03 32.94 2fbi n LYS 85 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2fbi n ASP 86 N -1.06 0.00 0.00 -5.58 4.64 -0.27 -5.07 116.55 109.21 2fbi n ASP 86 Ca 0.53 0.00 0.04 0.00 -1.38 0.00 0.00 54.79 53.98 2fbi n ASP 86 Cb 1.24 0.00 0.18 0.00 -1.04 0.00 0.00 41.12 41.50 2fbi n ASP 86 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2fbi n GLN 87 N 0.00 0.00 -0.07 -0.67 1.13 -1.07 -2.04 117.38 114.67 2fbi n GLN 87 Ca 0.00 0.35 0.12 0.00 -1.94 0.00 0.00 57.00 55.53 2fbi n GLN 87 Cb 0.00 -1.50 0.34 0.00 0.11 0.00 0.00 30.24 29.19 2fbi n GLN 87 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2fbi n ARG 88 N -1.49 1.95 -4.03 -1.09 1.74 -1.26 -4.73 116.66 107.75 2fbi n ARG 88 Ca 0.02 -1.42 -0.35 0.00 -0.77 0.00 0.00 57.85 55.33 2fbi n ARG 88 Cb 0.10 -1.45 -0.13 0.00 -1.02 0.00 0.00 32.46 29.96 2fbi n ARG 88 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2fbi s ARG 89 N -1.82 3.62 -0.25 5.56 0.52 -0.86 -5.07 118.95 120.64 2fbi s ARG 89 Ca 0.34 -0.51 -0.05 0.00 -0.52 0.00 0.00 55.73 54.99 2fbi s ARG 89 Cb 0.20 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.56 2fbi s ARG 89 CO 0.30 -0.01 0.02 0.08 0.02 0.00 0.00 175.30 175.71 2fbi s VAL 90 N 1.06 3.72 0.17 3.52 1.01 -1.26 -1.32 120.40 127.30 2fbi s VAL 90 Ca 0.02 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 2fbi s VAL 90 Cb -0.14 -2.79 -0.07 0.00 0.00 0.00 0.00 36.38 33.38 2fbi s VAL 90 CO 0.02 0.28 0.50 -0.31 0.00 0.00 0.00 175.10 175.59 2fbi s TYR 91 N 1.50 3.50 -0.00 5.22 1.51 -0.33 -0.57 117.35 128.18 2fbi s TYR 91 Ca 0.05 0.85 0.06 0.00 -1.01 0.00 0.00 57.07 57.02 2fbi s TYR 91 Cb -0.15 -2.23 -0.02 0.00 -0.11 0.00 0.00 41.96 39.45 2fbi s TYR 91 CO -0.00 0.38 -0.18 0.08 -1.11 0.00 0.00 175.55 174.71 2fbi s VAL 92 N -1.63 1.45 0.07 0.71 1.01 0.65 -1.69 120.40 120.97 2fbi s VAL 92 Ca 0.42 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 2fbi s VAL 92 Cb -0.13 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 2fbi s VAL 92 CO 0.21 0.36 0.14 0.54 0.00 0.00 0.00 175.10 176.35 2fbi s ASN 93 N -0.57 0.18 0.39 3.32 4.22 -0.78 -0.77 114.94 120.94 2fbi s ASN 93 Ca 0.07 -0.67 -0.26 0.00 -2.14 0.00 0.00 52.86 49.86 2fbi s ASN 93 Cb -0.07 0.30 -0.09 0.00 1.28 0.00 0.00 41.25 42.67 2fbi s ASN 93 CO -0.00 -0.67 1.24 -0.76 -2.04 0.00 0.00 177.10 174.87 2fbi s LEU 94 N -2.72 4.24 0.82 3.54 1.43 -1.26 -1.08 118.68 123.65 2fbi s LEU 94 Ca 0.03 2.52 -0.10 0.00 -1.03 0.00 0.00 54.13 55.55 2fbi s LEU 94 Cb 0.04 -3.91 0.12 0.00 0.03 0.00 0.00 46.19 42.47 2fbi s LEU 94 CO -0.09 -0.72 1.16 0.42 0.23 0.00 0.00 176.35 177.34 2fbi s THR 95 N -1.30 2.10 0.29 5.49 -4.23 0.77 -4.75 115.64 114.01 2fbi s THR 95 Ca 0.56 -0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.89 2fbi s THR 95 Cb -0.35 -2.94 0.27 0.00 1.34 0.00 0.00 72.50 70.82 2fbi s THR 95 CO 0.45 0.00 1.94 -0.33 -0.54 0.00 0.00 174.62 176.14 2fbi h GLU 96 N -1.06 1.09 -0.73 3.99 5.08 -1.88 0.14 114.58 121.21 2fbi h GLU 96 Ca -0.44 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 57.80 2fbi h GLU 96 Cb 1.28 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 2fbi h GLU 96 CO 0.51 0.72 0.24 -0.22 -1.00 0.00 0.00 179.01 179.26 2fbi h LYS 97 N 1.12 1.11 -0.39 2.33 3.64 -1.89 -1.86 116.57 120.62 2fbi h LYS 97 Ca 0.35 -0.23 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 2fbi h LYS 97 Cb 0.00 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2fbi h LYS 97 CO -0.10 0.94 -0.24 0.78 -2.27 0.00 0.00 179.45 178.56 2fbi h GLY 98 N 1.11 0.85 1.38 5.01 0.00 -1.20 -0.15 103.07 110.06 2fbi h GLY 98 Ca 0.24 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 2fbi h GLY 98 CO -0.01 0.67 0.13 1.46 0.00 0.00 0.00 176.54 178.80 2fbi h GLN 99 N 0.68 0.79 0.04 4.80 1.08 -0.57 0.07 115.11 122.00 2fbi h GLN 99 Ca 0.09 -0.15 -0.24 0.00 -1.45 0.00 0.00 58.65 56.90 2fbi h GLN 99 Cb 0.75 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 28.07 2fbi h GLN 99 CO 0.06 0.70 -1.04 0.37 -0.95 0.00 0.00 178.83 177.97 2fbi h GLN 100 N 0.76 0.39 -0.28 1.46 5.75 -1.15 -0.97 115.11 121.07 2fbi h GLN 100 Ca 0.17 -0.48 0.05 0.00 -0.15 0.00 0.00 58.65 58.24 2fbi h GLN 100 Cb 0.27 0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.92 2fbi h GLN 100 CO -0.00 1.15 -0.00 0.00 -2.65 0.00 0.00 178.83 177.33 2fbi h PHE 102 N 0.08 -0.27 -0.15 0.00 3.57 -0.73 -2.73 116.94 116.70 2fbi h PHE 102 Ca 0.13 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.70 2fbi h PHE 102 Cb 0.18 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 2fbi h PHE 102 CO -0.21 -0.17 -0.15 0.28 -2.23 0.00 0.00 178.31 175.83 2fbi h VAL 103 N -0.10 0.59 0.00 1.41 2.07 -0.95 -2.15 116.25 117.11 2fbi h VAL 103 Ca 0.10 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 2fbi h VAL 103 Cb 0.26 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2fbi h VAL 103 CO -0.24 0.00 -0.15 0.77 0.02 0.00 0.00 177.57 177.97 2fbi h SER 104 N -0.17 0.00 1.69 0.57 4.64 -1.12 -2.23 113.55 116.92 2fbi h SER 104 Ca 0.10 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 2fbi h SER 104 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2fbi h SER 104 CO -0.26 0.15 -0.27 0.24 -0.87 0.00 0.00 176.83 175.83 2fbi h MET 105 N 0.00 0.00 -0.15 4.77 2.07 -1.13 -3.38 114.93 117.11 2fbi h MET 105 Ca -0.00 0.00 -0.07 0.00 -2.07 0.00 0.00 59.70 57.56 2fbi h MET 105 Cb 0.42 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.14 2fbi h MET 105 CO 0.02 0.27 -0.22 0.66 1.07 0.00 0.00 176.91 178.71 2fbi h SER 106 N 0.00 0.25 -0.03 1.22 4.64 -0.77 -0.92 113.55 117.94 2fbi h SER 106 Ca -0.00 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2fbi h SER 106 Cb 1.18 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2fbi h SER 106 CO 0.03 0.49 0.01 1.23 -0.87 0.00 0.00 176.83 177.72 2fbi h GLY 107 N 0.92 0.05 0.47 -0.77 0.00 -1.73 -0.19 103.07 101.82 2fbi h GLY 107 Ca 0.04 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.40 2fbi h GLY 107 CO 0.04 0.03 0.02 -0.55 0.00 0.00 0.00 176.54 176.08 2fbi h ASP 108 N -0.18 -0.09 -0.40 0.19 3.32 -1.72 -2.04 116.42 115.50 2fbi h ASP 108 Ca 0.01 0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.21 2fbi h ASP 108 Cb 0.24 0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.85 2fbi h ASP 108 CO 0.00 -0.01 -0.03 -0.03 -1.72 0.00 0.00 179.24 177.44 2fbi h MET 109 N 0.13 0.06 -0.55 3.56 4.05 -0.96 -1.52 114.93 119.70 2fbi h MET 109 Ca 0.17 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.62 2fbi h MET 109 Cb 0.23 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.98 2fbi h MET 109 CO -0.27 0.04 0.32 1.49 0.23 0.00 0.00 176.91 178.72 2fbi h GLU 110 N 0.07 0.60 -0.83 0.39 4.57 -0.73 -1.08 114.58 117.57 2fbi h GLU 110 Ca 0.19 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2fbi h GLU 110 Cb 0.29 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 2fbi h GLU 110 CO -0.36 0.40 0.52 0.87 -1.18 0.00 0.00 179.01 179.26 2fbi h LYS 111 N 0.62 1.11 -0.12 1.92 1.79 -0.81 0.83 116.57 121.92 2fbi h LYS 111 Ca 0.23 -0.09 -0.10 0.00 -2.18 0.00 0.00 60.65 58.51 2fbi h LYS 111 Cb 0.06 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.46 2fbi h LYS 111 CO -0.12 0.77 -0.36 -0.91 -1.08 0.00 0.00 179.45 177.75 2fbi h ASN 112 N 1.14 0.25 -0.17 0.86 2.35 -0.59 -1.14 115.58 118.28 2fbi h ASN 112 Ca 0.30 -0.10 -0.15 0.00 -0.55 0.00 0.00 56.30 55.80 2fbi h ASN 112 Cb -0.07 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 2fbi h ASN 112 CO -0.06 0.60 -0.44 1.88 -1.65 0.00 0.00 177.43 177.76 2fbi h TYR 113 N 0.21 0.87 -0.87 1.19 -1.99 -0.29 -2.23 116.97 113.86 2fbi h TYR 113 Ca 0.02 -0.27 0.05 0.00 2.00 0.00 0.00 58.73 60.53 2fbi h TYR 113 Cb 0.75 -0.18 -0.06 0.00 2.00 0.00 0.00 36.73 39.24 2fbi h TYR 113 CO 0.01 1.03 0.55 1.96 -0.00 0.00 0.00 178.16 181.72 2fbi h GLN 114 N 0.58 1.00 -0.85 4.88 4.20 -0.57 0.44 115.11 124.79 2fbi h GLN 114 Ca 0.04 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 2fbi h GLN 114 Cb 1.00 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.51 2fbi h GLN 114 CO 0.09 0.66 0.42 0.00 -0.67 0.00 0.00 178.83 179.34 2fbi h ARG 115 N 1.03 1.21 -0.41 1.46 3.08 -1.12 -1.42 114.38 118.23 2fbi h ARG 115 Ca 0.37 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 2fbi h ARG 115 Cb 0.10 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2fbi h ARG 115 CO -0.15 0.92 -0.12 0.82 -1.07 0.00 0.00 179.97 180.38 2fbi h ILE 116 N 1.21 1.28 -0.29 2.04 2.04 -0.90 -2.24 117.51 120.64 2fbi h ILE 116 Ca 0.29 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 2fbi h ILE 116 Cb 0.10 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2fbi h ILE 116 CO -0.04 0.41 0.11 -0.61 0.00 0.00 0.00 178.15 178.02 2fbi h GLN 117 N 0.61 0.44 -0.38 2.37 4.15 -0.71 0.51 115.11 122.10 2fbi h GLN 117 Ca 0.10 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 2fbi h GLN 117 Cb 0.65 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 2fbi h GLN 117 CO 0.04 0.47 0.23 0.93 -1.93 0.00 0.00 178.83 178.57 2fbi h GLU 118 N 0.32 0.51 0.00 1.69 5.08 -1.27 0.76 114.58 121.66 2fbi h GLU 118 Ca 0.10 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 2fbi h GLU 118 Cb 0.20 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2fbi h GLU 118 CO -0.01 0.37 -0.78 -0.09 -1.00 0.00 0.00 179.01 177.51 2fbi h ARG 119 N 0.50 0.00 0.02 2.33 2.43 -1.22 -3.35 114.38 115.09 2fbi h ARG 119 Ca 0.14 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.93 2fbi h ARG 119 Cb -0.01 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.48 2fbi h ARG 119 CO -0.03 0.65 -2.36 0.34 -1.51 0.00 0.00 179.97 177.07 2fbi n PHE 120 N -3.24 0.21 0.00 2.20 7.35 0.18 -5.08 117.46 119.08 2fbi n PHE 120 Ca -0.00 0.05 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 2fbi n PHE 120 Cb 0.82 -1.03 0.00 0.00 0.35 0.00 0.00 39.48 39.62 2fbi n PHE 120 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2fbi n GLY 121 N 2.06 3.09 0.09 7.13 0.00 0.26 -4.77 105.19 113.05 2fbi n GLY 121 Ca -0.39 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.30 2fbi n GLY 121 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2fbi h GLU 122 N 0.00 0.18 -0.39 1.61 4.81 -1.90 0.19 114.58 119.09 2fbi h GLU 122 Ca 0.00 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 2fbi h GLU 122 Cb 0.00 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2fbi h GLU 122 CO 0.00 0.20 -0.24 1.49 -0.73 0.00 0.00 179.01 179.73 2fbi h GLU 123 N 0.12 0.85 -0.72 1.92 4.57 -1.93 -1.42 114.58 117.97 2fbi h GLU 123 Ca 0.05 -0.39 0.07 0.00 -1.18 0.00 0.00 59.36 57.91 2fbi h GLU 123 Cb 0.06 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 2fbi h GLU 123 CO -0.01 1.03 0.47 0.87 -1.18 0.00 0.00 179.01 180.20 2fbi h LYS 124 N 0.66 0.68 -0.55 1.92 1.57 -1.83 0.91 116.57 119.94 2fbi h LYS 124 Ca 0.08 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2fbi h LYS 124 Cb 0.80 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2fbi h LYS 124 CO 0.07 0.45 0.08 1.25 -0.57 0.00 0.00 179.45 180.73 2fbi h LEU 125 N 0.70 0.88 -0.33 2.94 6.46 -0.40 -1.48 115.31 124.09 2fbi h LEU 125 Ca 0.32 -0.27 -0.10 0.00 -0.12 0.00 0.00 57.88 57.71 2fbi h LEU 125 Cb 0.32 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 2fbi h LEU 125 CO -0.11 0.92 -0.19 0.00 -0.62 0.00 0.00 178.44 178.44 2fbi h ALA 126 N 0.99 0.47 -0.62 1.25 0.00 -0.63 -2.11 119.26 118.60 2fbi h ALA 126 Ca 0.16 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2fbi h ALA 126 Cb 0.43 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2fbi h ALA 126 CO 0.01 0.41 0.22 1.96 0.00 0.00 0.00 179.25 181.85 2fbi h GLN 127 N 0.48 0.93 0.15 0.00 4.20 -0.83 -1.26 115.11 118.78 2fbi h GLN 127 Ca 0.07 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2fbi h GLN 127 Cb 0.74 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2fbi h GLN 127 CO 0.05 0.78 -0.07 1.25 -0.67 0.00 0.00 178.83 180.17 2fbi h LEU 128 N 0.91 -0.17 -0.56 1.46 5.85 -1.14 -0.77 115.31 120.89 2fbi h LEU 128 Ca 0.21 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.81 2fbi h LEU 128 Cb 0.22 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 2fbi h LEU 128 CO -0.01 0.05 0.33 -0.07 -0.34 0.00 0.00 178.44 178.40 2fbi h LEU 129 N -0.39 0.53 -0.58 2.25 3.38 -1.37 0.28 115.31 119.40 2fbi h LEU 129 Ca -0.02 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2fbi h LEU 129 Cb 0.31 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 2fbi h LEU 129 CO 0.03 0.37 0.23 -0.33 0.09 0.00 0.00 178.44 178.83 2fbi h GLU 130 N 0.65 0.41 -0.20 1.13 5.08 -1.21 0.27 114.58 120.71 2fbi h GLU 130 Ca 0.23 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.38 2fbi h GLU 130 Cb 0.05 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2fbi h GLU 130 CO -0.11 0.27 -0.63 -0.07 -1.00 0.00 0.00 179.01 177.47 2fbi h LEU 131 N 0.43 0.83 -0.53 1.33 3.38 -0.63 -2.66 115.31 117.46 2fbi h LEU 131 Ca 0.29 -0.48 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 2fbi h LEU 131 Cb 0.32 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2fbi h LEU 131 CO -0.27 1.26 -0.29 -0.07 0.09 0.00 0.00 178.44 179.15 2fbi h LEU 132 N 0.54 0.91 -1.30 1.67 3.38 -0.32 0.50 115.31 120.68 2fbi h LEU 132 Ca -0.01 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.61 2fbi h LEU 132 Cb 1.23 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 2fbi h LEU 132 CO 0.13 1.13 0.48 0.78 0.09 0.00 0.00 178.44 181.06 2fbi h ASN 133 N 0.74 0.79 -0.30 -0.43 2.35 -0.95 -2.22 115.58 115.55 2fbi h ASN 133 Ca 0.08 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 2fbi h ASN 133 Cb 0.85 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 2fbi h ASN 133 CO 0.07 0.55 -0.17 -0.08 -1.65 0.00 0.00 177.43 176.16 2fbi h GLU 134 N 0.92 0.65 -0.61 0.81 4.81 -1.09 -3.13 114.58 116.94 2fbi h GLU 134 Ca 0.28 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2fbi h GLU 134 Cb -0.00 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2fbi h GLU 134 CO -0.08 0.88 0.41 1.25 -0.73 0.00 0.00 179.01 180.75 2fbi h LEU 135 N 0.40 0.70 -1.80 1.64 5.85 -0.55 -1.77 115.31 119.79 2fbi h LEU 135 Ca 0.06 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2fbi h LEU 135 Cb 0.70 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 2fbi h LEU 135 CO 0.05 0.50 -0.14 0.11 -0.34 0.00 0.00 178.44 178.63 2fbi h LYS 136 N 0.82 0.00 0.00 1.25 1.57 -1.36 -2.53 116.57 116.32 2fbi h LYS 136 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2fbi h LYS 136 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2fbi h LYS 136 CO -0.05 0.14 0.00 1.63 -0.57 0.00 0.00 179.45 180.59 2fbi n LYS 137 N -4.19 0.23 0.00 3.15 5.02 -0.67 -2.49 118.16 119.21 2fbi n LYS 137 Ca -0.02 0.06 0.14 0.00 -2.02 0.00 0.00 58.31 56.46 2fbi n LYS 137 Cb 0.21 -1.50 0.55 0.00 -0.02 0.00 0.00 35.03 34.28 2fbi n LYS 137 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2fbi n ILE 138 N -1.37 0.00 -1.67 -0.18 -5.35 -0.95 -4.85 119.36 104.99 2fbi n ILE 138 Ca 0.10 -0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.14 2fbi n ILE 138 Cb 0.24 -0.32 -0.03 0.00 -1.74 0.00 0.00 39.64 37.78 2fbi n ILE 138 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2fbi n LYS 139 N -1.45 2.75 0.00 6.28 4.81 -1.04 -5.17 118.16 124.35 2fbi n LYS 139 Ca 0.08 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 58.52 2fbi n LYS 139 Cb 0.33 -2.93 0.00 0.00 0.02 0.00 0.00 35.03 32.45 2fbi n LYS 139 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27