#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg7 n SER 2 N 0.00 0.00 -4.76 3.17 3.41 -1.26 -5.10 113.62 109.08 2kg7 n SER 2 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 2kg7 n SER 2 Cb 0.00 0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.05 2kg7 n SER 2 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2kg7 s LEU 3 N -4.72 4.33 -0.41 1.04 1.43 -1.26 -4.95 118.68 114.15 2kg7 s LEU 3 Ca 0.00 2.99 0.10 0.00 -1.03 0.00 0.00 54.13 56.18 2kg7 s LEU 3 Cb 0.00 -3.65 0.35 0.00 0.03 0.00 0.00 46.19 42.92 2kg7 s LEU 3 CO 0.00 -0.90 0.99 -0.11 0.23 0.00 0.00 176.35 176.56 2kg7 n LEU 4 N 1.52 -0.83 -3.01 1.79 7.94 -1.26 -5.01 117.00 118.13 2kg7 n LEU 4 Ca 0.05 -4.16 -0.16 0.00 -1.11 0.00 0.00 56.01 50.63 2kg7 n LEU 4 Cb 0.38 0.72 -0.02 0.00 0.53 0.00 0.00 43.42 45.03 2kg7 n LEU 4 CO 0.64 2.09 -0.08 -0.90 -1.11 0.00 0.00 177.39 178.03 2kg7 n ASP 5 N 0.20 -1.43 0.01 1.96 5.68 -1.26 -4.98 116.55 116.72 2kg7 n ASP 5 Ca 0.12 -2.88 -0.03 0.00 -0.50 0.00 0.00 54.79 51.50 2kg7 n ASP 5 Cb 0.71 0.52 -0.01 0.00 -1.14 0.00 0.00 41.12 41.20 2kg7 n ASP 5 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kg7 n ALA 6 N 1.89 2.63 -0.24 2.12 0.00 -1.26 -4.75 120.51 120.90 2kg7 n ALA 6 Ca 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2kg7 n ALA 6 Cb 0.56 0.29 0.16 0.00 0.00 0.00 0.00 19.45 20.47 2kg7 n ALA 6 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kg7 h HIS 7 N -0.18 1.04 -4.14 0.00 3.86 -2.04 -3.43 115.15 110.25 2kg7 h HIS 7 Ca -0.05 -0.03 -0.52 0.00 -1.16 0.00 0.00 60.37 58.61 2kg7 h HIS 7 Cb 0.53 -0.33 0.12 0.00 1.06 0.00 0.00 27.41 28.79 2kg7 h HIS 7 CO -0.06 0.74 0.42 0.96 0.86 0.00 0.00 177.93 180.86 2kg7 s ILE 8 N -5.65 2.71 0.00 2.45 -4.36 -1.26 -5.04 121.20 110.05 2kg7 s ILE 8 Ca -0.11 0.39 0.00 0.00 -0.26 0.00 0.00 60.65 60.66 2kg7 s ILE 8 Cb 0.17 -3.02 0.00 0.00 1.25 0.00 0.00 42.46 40.86 2kg7 s ILE 8 CO 0.81 -0.15 0.00 -0.81 0.24 0.00 0.00 174.94 175.03 2kg7 n PRO 9 N -2.11 0.05 0.00 0.37 -0.04 -1.26 -5.05 135.00 126.96 2kg7 n PRO 9 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2kg7 n PRO 9 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 2kg7 n PRO 9 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2kg7 n GLN 10 N -0.71 0.00 -1.77 0.54 7.27 -1.26 -4.94 117.38 116.51 2kg7 n GLN 10 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.88 2kg7 n GLN 10 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 2kg7 n GLN 10 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2kg7 n LEU 11 N 0.00 -1.48 -4.77 1.69 7.99 -1.26 -4.93 117.00 114.24 2kg7 n LEU 11 Ca 0.00 0.36 -0.39 0.00 -0.01 0.00 0.00 56.01 55.98 2kg7 n LEU 11 Cb 0.00 -2.69 -0.03 0.00 -0.11 0.00 0.00 43.42 40.60 2kg7 n LEU 11 CO 0.00 -0.80 0.83 -0.69 -1.51 0.00 0.00 177.39 175.22 2kg7 s VAL 12 N -2.70 3.25 0.00 4.08 1.01 -1.26 -2.21 120.40 122.57 2kg7 s VAL 12 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2kg7 s VAL 12 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2kg7 s VAL 12 CO 0.00 0.14 0.00 0.00 0.00 0.00 0.00 175.10 175.24 2kg7 n ALA 13 N 0.32 0.00 0.00 5.51 0.00 -1.26 -4.47 120.51 120.62 2kg7 n ALA 13 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 2kg7 n ALA 13 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 2kg7 n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kg7 h SER 14 N 0.00 -1.17 1.39 0.00 0.87 -1.93 -2.13 113.55 110.59 2kg7 h SER 14 Ca 0.00 0.16 -0.12 0.00 -1.23 0.00 0.00 61.79 60.60 2kg7 h SER 14 Cb 0.00 0.48 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2kg7 h SER 14 CO 0.00 -0.40 -0.61 1.56 -0.53 0.00 0.00 176.83 176.85 2kg7 h GLN 15 N -0.45 0.00 -5.05 2.24 1.08 -1.66 -3.49 115.11 107.77 2kg7 h GLN 15 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2kg7 h GLN 15 Cb 0.59 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.97 2kg7 h GLN 15 CO -0.38 0.57 -1.25 0.43 -0.95 0.00 0.00 178.83 177.26 2kg7 n SER 16 N -3.23 -4.72 0.26 1.46 7.64 -0.80 -4.75 113.62 109.48 2kg7 n SER 16 Ca 0.01 1.39 0.15 0.00 1.01 0.00 0.00 58.87 61.43 2kg7 n SER 16 Cb 0.77 -5.28 0.85 0.00 -1.01 0.00 0.00 64.21 59.54 2kg7 n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kg7 h ALA 17 N 3.46 1.70 -0.16 -0.43 0.00 -1.88 -2.50 119.26 119.46 2kg7 h ALA 17 Ca -0.24 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.71 2kg7 h ALA 17 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2kg7 h ALA 17 CO 0.06 -0.10 -0.11 0.35 0.00 0.00 0.00 179.25 179.45 2kg7 h PHE 18 N 0.00 -0.28 -0.64 0.00 3.57 -1.90 -1.02 116.94 116.68 2kg7 h PHE 18 Ca 0.03 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.68 2kg7 h PHE 18 Cb 0.17 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 2kg7 h PHE 18 CO 0.00 -0.17 0.43 0.00 -2.23 0.00 0.00 178.31 176.34 2kg7 h ALA 19 N 1.00 2.17 -0.83 2.41 0.00 -1.68 -0.49 119.26 121.84 2kg7 h ALA 19 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2kg7 h ALA 19 Cb 0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2kg7 h ALA 19 CO -0.23 -0.33 0.40 0.00 0.00 0.00 0.00 179.25 179.09 2kg7 h ALA 20 N 1.69 1.07 -0.16 0.00 0.00 -1.26 -1.88 119.26 118.71 2kg7 h ALA 20 Ca 0.30 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 2kg7 h ALA 20 Cb 0.76 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kg7 h ALA 20 CO -0.07 0.63 -0.70 0.87 0.00 0.00 0.00 179.25 179.97 2kg7 h LYS 21 N 1.17 0.69 -0.84 0.00 1.57 -0.87 -2.84 116.57 115.46 2kg7 h LYS 21 Ca 0.28 -0.53 0.01 0.00 -1.87 0.00 0.00 60.65 58.54 2kg7 h LYS 21 Cb 0.11 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 2kg7 h LYS 21 CO -0.04 1.15 0.55 0.00 -0.57 0.00 0.00 179.45 180.54 2kg7 h ALA 22 N 0.71 1.07 -0.08 3.86 0.00 -1.07 0.17 119.26 123.92 2kg7 h ALA 22 Ca -0.03 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2kg7 h ALA 22 Cb 1.31 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2kg7 h ALA 22 CO 0.14 0.48 -0.48 0.78 0.00 0.00 0.00 179.25 180.17 2kg7 h GLY 23 N 1.14 0.21 2.00 0.00 0.00 -1.35 -3.02 103.07 102.06 2kg7 h GLY 23 Ca 0.31 -0.22 -0.18 0.00 0.00 0.00 0.00 47.33 47.23 2kg7 h GLY 23 CO -0.07 0.20 -0.87 -2.00 0.00 0.00 0.00 176.54 173.81 2kg7 h LEU 24 N 0.16 0.00 0.24 3.11 5.85 -1.17 -3.30 115.31 120.20 2kg7 h LEU 24 Ca 0.01 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2kg7 h LEU 24 Cb 0.91 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 2kg7 h LEU 24 CO 0.07 0.87 -0.47 -0.03 -0.34 0.00 0.00 178.44 178.54 2kg7 h MET 25 N 0.00 -0.76 -0.11 1.25 4.05 -0.54 -0.32 114.93 118.49 2kg7 h MET 25 Ca -0.01 0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.49 2kg7 h MET 25 Cb 1.66 0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 32.63 2kg7 h MET 25 CO 0.11 -0.51 0.11 0.00 0.23 0.00 0.00 176.91 176.86 2kg7 h ARG 26 N -0.79 0.00 0.00 0.39 3.08 -1.69 0.67 114.38 116.05 2kg7 h ARG 26 Ca -0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 2kg7 h ARG 26 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 2kg7 h ARG 26 CO -0.19 0.00 -0.47 1.25 -1.07 0.00 0.00 179.97 179.48 2kg7 h HIS 27 N 0.00 0.00 -0.10 3.04 2.76 -1.19 -1.40 115.15 118.25 2kg7 h HIS 27 Ca 0.05 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.16 2kg7 h HIS 27 Cb 0.28 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.24 2kg7 h HIS 27 CO 0.00 0.47 -0.19 1.15 -1.30 0.00 0.00 177.93 178.07 2kg7 h THR 28 N 0.00 1.39 -0.04 6.26 2.02 0.47 -2.47 112.91 120.54 2kg7 h THR 28 Ca -0.00 -1.45 -0.05 0.00 0.77 0.00 0.00 66.41 65.67 2kg7 h THR 28 Cb 1.05 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 2kg7 h THR 28 CO 0.06 0.42 -0.17 0.40 0.37 0.00 0.00 175.52 176.60 2kg7 h ILE 29 N -0.12 1.47 -0.49 3.11 5.03 -1.55 -1.35 117.51 123.61 2kg7 h ILE 29 Ca 0.01 -1.64 0.08 0.00 -0.12 0.00 0.00 64.86 63.19 2kg7 h ILE 29 Cb 0.76 2.43 -0.07 0.00 -3.03 0.00 0.00 36.82 36.92 2kg7 h ILE 29 CO 0.04 0.45 0.10 1.23 -0.68 0.00 0.00 178.15 179.29 2kg7 h GLY 30 N -0.38 0.59 1.66 5.37 0.00 -1.36 0.25 103.07 109.21 2kg7 h GLY 30 Ca -0.01 -0.02 -0.17 0.00 0.00 0.00 0.00 47.33 47.13 2kg7 h GLY 30 CO 0.04 -0.06 -0.68 1.46 0.00 0.00 0.00 176.54 177.29 2kg7 h GLN 31 N 0.23 0.34 0.00 4.80 1.08 -1.52 -3.04 115.11 117.01 2kg7 h GLN 31 Ca 0.24 -0.26 -0.07 0.00 -1.45 0.00 0.00 58.65 57.11 2kg7 h GLN 31 Cb 0.32 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 2kg7 h GLN 31 CO -0.32 0.89 -0.35 0.00 -0.95 0.00 0.00 178.83 178.10 2kg7 h ALA 32 N 1.04 1.22 -0.06 3.87 0.00 -0.39 -2.82 119.26 122.11 2kg7 h ALA 32 Ca -0.02 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 2kg7 h ALA 32 Cb 1.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2kg7 h ALA 32 CO 0.11 0.44 -0.65 1.49 0.00 0.00 0.00 179.25 180.64 2kg7 h GLU 33 N 0.00 0.25 -0.85 0.00 4.81 -0.42 -3.10 114.58 115.28 2kg7 h GLU 33 Ca -0.00 -0.19 0.19 0.00 -0.13 0.00 0.00 59.36 59.23 2kg7 h GLU 33 Cb 0.71 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.07 2kg7 h GLU 33 CO 0.05 0.81 0.57 0.37 -0.73 0.00 0.00 179.01 180.08 2kg7 h GLN 34 N 0.18 0.34 -0.28 1.92 4.15 -1.44 -1.15 115.11 118.84 2kg7 h GLN 34 Ca -0.01 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.44 2kg7 h GLN 34 Cb 1.18 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.75 2kg7 h GLN 34 CO 0.10 0.23 -0.01 0.00 -1.93 0.00 0.00 178.83 177.22 2kg7 h ALA 35 N 1.62 0.23 -0.49 3.38 0.00 -1.66 -0.75 119.26 121.60 2kg7 h ALA 35 Ca 0.43 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.55 2kg7 h ALA 35 Cb 1.13 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2kg7 h ALA 35 CO -0.14 -0.42 0.34 0.00 0.00 0.00 0.00 179.25 179.03 2kg7 h ALA 36 N 1.24 2.32 0.31 0.00 0.00 -1.38 -1.36 119.26 120.39 2kg7 h ALA 36 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2kg7 h ALA 36 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kg7 h ALA 36 CO -0.23 -0.45 -0.15 0.52 0.00 0.00 0.00 179.25 178.94 2kg7 h MET 37 N 0.11 -0.40 -0.55 0.00 2.07 -1.13 -1.92 114.93 113.11 2kg7 h MET 37 Ca 0.23 0.03 0.09 0.00 -2.07 0.00 0.00 59.70 57.98 2kg7 h MET 37 Cb 0.78 0.09 -0.07 0.00 -1.87 0.00 0.00 31.60 30.53 2kg7 h MET 37 CO -0.02 -0.07 0.17 0.77 1.07 0.00 0.00 176.91 178.82 2kg7 h SER 38 N -0.92 0.12 0.30 1.22 0.02 -0.91 0.89 113.55 114.28 2kg7 h SER 38 Ca -0.04 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2kg7 h SER 38 Cb 0.51 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 2kg7 h SER 38 CO 0.07 0.09 -0.17 0.00 -1.14 0.00 0.00 176.83 175.67 2kg7 h ALA 39 N 1.40 1.45 -0.00 3.77 0.00 -1.33 -1.20 119.26 123.34 2kg7 h ALA 39 Ca 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2kg7 h ALA 39 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kg7 h ALA 39 CO -0.31 0.22 -0.18 0.94 0.00 0.00 0.00 179.25 179.91 2kg7 n GLN 40 N -3.94 0.39 0.29 0.00 7.27 0.16 -3.79 117.38 117.76 2kg7 n GLN 40 Ca -0.02 -0.15 0.19 0.00 0.07 0.00 0.00 57.00 57.09 2kg7 n GLN 40 Cb 0.26 -1.50 0.98 0.00 2.41 0.00 0.00 30.24 32.40 2kg7 n GLN 40 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kg7 h ALA 41 N 3.35 1.40 -0.84 1.69 0.00 0.15 -1.68 119.26 123.32 2kg7 h ALA 41 Ca 0.00 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.14 2kg7 h ALA 41 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2kg7 h ALA 41 CO 0.00 -0.15 0.60 0.27 0.00 0.00 0.00 179.25 179.96 2kg7 h PHE 42 N 0.00 0.11 -0.60 0.00 -0.00 -1.76 -3.37 116.94 111.32 2kg7 h PHE 42 Ca 0.03 0.00 0.13 0.00 -0.00 0.00 0.00 57.97 58.13 2kg7 h PHE 42 Cb 0.27 -0.03 -0.20 0.00 -0.00 0.00 0.00 35.95 35.99 2kg7 h PHE 42 CO 0.00 0.03 -0.19 -1.58 -0.00 0.00 0.00 178.31 176.57 2kg7 s HIS 43 N -5.07 -1.12 -0.67 6.09 5.65 -0.63 -5.11 115.29 114.42 2kg7 s HIS 43 Ca -0.06 0.64 -0.25 0.00 0.25 0.00 0.00 55.06 55.64 2kg7 s HIS 43 Cb 0.21 0.19 0.04 0.00 -1.18 0.00 0.00 32.58 31.85 2kg7 s HIS 43 CO 0.77 -0.66 1.13 -1.14 -0.65 0.00 0.00 174.74 174.19 2kg7 s GLN 44 N 2.86 3.22 0.00 2.88 0.74 -1.25 -4.51 119.66 123.61 2kg7 s GLN 44 Ca 0.19 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.23 2kg7 s GLN 44 Cb -0.05 -4.16 0.00 0.00 1.10 0.00 0.00 33.01 29.89 2kg7 s GLN 44 CO -0.24 -1.91 0.00 0.41 -0.55 0.00 0.00 175.29 173.00 2kg7 n GLY 45 N 5.30 -1.46 3.48 2.59 0.00 -1.26 -5.07 105.19 108.76 2kg7 n GLY 45 Ca 0.01 0.54 -0.42 0.00 0.00 0.00 0.00 46.02 46.14 2kg7 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kg7 s GLU 46 N 0.00 3.14 0.63 1.61 0.41 -1.26 -5.02 118.70 118.22 2kg7 s GLU 46 Ca 0.00 -0.68 0.01 0.00 -0.41 0.00 0.00 54.97 53.89 2kg7 s GLU 46 Cb 0.00 -4.23 0.08 0.00 -1.78 0.00 0.00 34.13 28.20 2kg7 s GLU 46 CO 0.00 -1.92 0.88 -1.54 -0.49 0.00 0.00 175.26 172.19 2kg7 s SER 47 N 3.71 4.83 0.17 -0.19 1.04 -1.26 -5.05 113.70 116.95 2kg7 s SER 47 Ca 0.26 -0.21 -0.30 0.00 0.48 0.00 0.00 55.95 56.19 2kg7 s SER 47 Cb -0.14 -0.42 -0.07 0.00 0.10 0.00 0.00 66.02 65.49 2kg7 s SER 47 CO 0.11 -1.50 0.93 -0.55 0.98 0.00 0.00 173.24 173.22 2kg7 s SER 48 N -4.58 7.55 0.12 7.02 0.15 -1.26 -4.97 113.70 117.72 2kg7 s SER 48 Ca 0.62 1.84 -0.24 0.00 0.70 0.00 0.00 55.95 58.87 2kg7 s SER 48 Cb -0.08 -2.59 -0.06 0.00 -1.71 0.00 0.00 66.02 61.59 2kg7 s SER 48 CO 0.41 0.05 1.67 0.00 1.20 0.00 0.00 173.24 176.58 2kg7 h ALA 49 N 4.87 -0.17 -0.04 5.45 0.00 -2.00 -0.88 119.26 126.49 2kg7 h ALA 49 Ca -0.44 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2kg7 h ALA 49 Cb 1.21 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 2kg7 h ALA 49 CO 0.70 -0.64 0.04 0.00 0.00 0.00 0.00 179.25 179.35 2kg7 h ALA 50 N 0.71 1.67 -0.11 0.00 0.00 -2.01 -0.99 119.26 118.53 2kg7 h ALA 50 Ca 0.06 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2kg7 h ALA 50 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2kg7 h ALA 50 CO -0.17 -0.06 -0.61 0.35 0.00 0.00 0.00 179.25 178.76 2kg7 h PHE 51 N 0.00 0.51 0.25 0.00 3.04 -1.57 -2.89 116.94 116.28 2kg7 h PHE 51 Ca 0.02 -0.20 -0.01 0.00 3.98 0.00 0.00 57.97 61.76 2kg7 h PHE 51 Cb 0.10 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.52 2kg7 h PHE 51 CO 0.00 0.90 -0.12 0.37 -2.02 0.00 0.00 178.31 177.44 2kg7 h GLN 52 N 0.29 -0.32 -0.66 1.11 4.15 -0.55 -1.73 115.11 117.40 2kg7 h GLN 52 Ca -0.01 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.56 2kg7 h GLN 52 Cb 1.14 0.07 -0.09 0.00 0.21 0.00 0.00 27.48 28.82 2kg7 h GLN 52 CO 0.10 0.02 0.19 0.00 -1.93 0.00 0.00 178.83 177.21 2kg7 h ALA 53 N -0.14 0.83 -0.61 3.38 0.00 -1.57 0.21 119.26 121.37 2kg7 h ALA 53 Ca -0.03 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2kg7 h ALA 53 Cb 0.49 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2kg7 h ALA 53 CO 0.06 -0.27 0.14 0.00 0.00 0.00 0.00 179.25 179.17 2kg7 h ALA 54 N 1.50 1.08 -0.42 0.00 0.00 -1.52 -0.50 119.26 119.40 2kg7 h ALA 54 Ca 0.35 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2kg7 h ALA 54 Cb 0.52 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2kg7 h ALA 54 CO -0.40 0.61 -0.25 1.25 0.00 0.00 0.00 179.25 180.45 2kg7 h HIS 55 N 0.92 1.01 -0.02 0.00 6.17 -0.12 -2.93 115.15 120.18 2kg7 h HIS 55 Ca 0.20 -0.25 -0.14 0.00 0.71 0.00 0.00 60.37 60.89 2kg7 h HIS 55 Cb 0.35 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 30.03 2kg7 h HIS 55 CO 0.02 1.03 -0.62 0.00 0.71 0.00 0.00 177.93 179.07 2kg7 h ALA 56 N 0.96 0.93 -0.62 5.26 0.00 -0.39 -3.11 119.26 122.29 2kg7 h ALA 56 Ca 0.09 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2kg7 h ALA 56 Cb 0.80 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2kg7 h ALA 56 CO 0.07 0.76 0.26 0.00 0.00 0.00 0.00 179.25 180.34 2kg7 h ARG 57 N 0.06 0.92 0.43 0.00 3.08 -0.92 0.27 114.38 118.22 2kg7 h ARG 57 Ca -0.01 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 2kg7 h ARG 57 Cb 1.11 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2kg7 h ARG 57 CO 0.09 0.77 -0.20 0.35 -1.07 0.00 0.00 179.97 179.90 2kg7 h PHE 58 N 0.87 -0.53 -0.26 3.04 3.04 -1.48 -1.28 116.94 120.34 2kg7 h PHE 58 Ca 0.21 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.14 2kg7 h PHE 58 Cb 0.19 0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 2kg7 h PHE 58 CO 0.01 -0.27 0.12 -0.24 -2.02 0.00 0.00 178.31 175.91 2kg7 h VAL 59 N -0.68 1.10 -0.23 1.41 3.04 -1.49 -0.16 116.25 119.23 2kg7 h VAL 59 Ca -0.06 -0.27 -0.11 0.00 -1.01 0.00 0.00 66.70 65.25 2kg7 h VAL 59 Cb 0.50 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 30.54 2kg7 h VAL 59 CO 0.10 0.11 -0.33 0.00 -1.01 0.00 0.00 177.57 176.44 2kg7 h ALA 60 N 1.78 1.01 0.14 3.17 0.00 -0.70 -3.10 119.26 121.56 2kg7 h ALA 60 Ca 0.09 -0.39 -0.29 0.00 0.00 0.00 0.00 54.91 54.33 2kg7 h ALA 60 Cb 0.05 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2kg7 h ALA 60 CO -0.01 0.60 -1.27 0.00 0.00 0.00 0.00 179.25 178.57 2kg7 h ALA 61 N 1.24 0.06 -0.95 0.00 0.00 -0.37 -3.28 119.26 115.95 2kg7 h ALA 61 Ca 0.05 -0.85 0.22 0.00 0.00 0.00 0.00 54.91 54.32 2kg7 h ALA 61 Cb 0.78 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 2kg7 h ALA 61 CO 0.06 0.87 0.62 0.00 0.00 0.00 0.00 179.25 180.80 2kg7 h ALA 62 N 0.48 2.14 -0.57 0.00 0.00 -0.98 0.23 119.26 120.55 2kg7 h ALA 62 Ca -0.16 0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.88 2kg7 h ALA 62 Cb 1.97 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 2kg7 h ALA 62 CO 0.22 -0.46 0.39 0.00 0.00 0.00 0.00 179.25 179.39 2kg7 h ALA 63 N 1.61 2.04 -0.01 0.00 0.00 -1.61 -1.26 119.26 120.04 2kg7 h ALA 63 Ca 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 2kg7 h ALA 63 Cb 1.21 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2kg7 h ALA 63 CO -0.23 -0.17 -0.01 -0.22 0.00 0.00 0.00 179.25 178.62 2kg7 h LYS 64 N 0.37 0.01 -0.61 0.00 1.63 -0.73 -1.69 116.57 115.56 2kg7 h LYS 64 Ca 0.26 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.10 2kg7 h LYS 64 Cb 0.55 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.13 2kg7 h LYS 64 CO -0.07 0.52 0.34 0.28 -3.45 0.00 0.00 179.45 177.07 2kg7 h VAL 65 N -0.49 0.99 -0.05 2.00 2.07 -1.32 -0.72 116.25 118.72 2kg7 h VAL 65 Ca 0.00 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2kg7 h VAL 65 Cb 0.52 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2kg7 h VAL 65 CO 0.00 0.12 0.02 -1.13 0.02 0.00 0.00 177.57 176.60 2kg7 h ASN 66 N 0.64 0.07 -0.74 0.57 -1.24 -1.28 0.14 115.58 113.74 2kg7 h ASN 66 Ca 0.26 -0.19 0.08 0.00 0.71 0.00 0.00 56.30 57.16 2kg7 h ASN 66 Cb 0.13 -0.02 -0.05 0.00 0.73 0.00 0.00 38.32 39.11 2kg7 h ASN 66 CO -0.16 0.24 0.49 0.74 -1.29 0.00 0.00 177.43 177.46 2kg7 h THR 67 N -0.10 0.99 0.01 -3.57 2.02 -0.98 -1.21 112.91 110.07 2kg7 h THR 67 Ca 0.02 -0.25 -0.20 0.00 0.77 0.00 0.00 66.41 66.74 2kg7 h THR 67 Cb 0.20 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2kg7 h THR 67 CO -0.00 0.13 -0.90 -0.07 0.37 0.00 0.00 175.52 175.05 2kg7 h LEU 68 N 0.73 0.31 -0.60 2.58 3.38 -0.89 -2.88 115.31 117.94 2kg7 h LEU 68 Ca 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2kg7 h LEU 68 Cb 0.33 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2kg7 h LEU 68 CO -0.11 1.06 0.32 0.25 0.09 0.00 0.00 178.44 180.04 2kg7 h LEU 69 N 0.13 0.75 -0.11 1.67 6.46 0.22 -1.93 115.31 122.50 2kg7 h LEU 69 Ca -0.05 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.58 2kg7 h LEU 69 Cb 1.53 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 41.27 2kg7 h LEU 69 CO 0.14 0.64 -0.03 -0.78 -0.62 0.00 0.00 178.44 177.79 2kg7 h ASP 70 N 0.81 0.22 -0.67 1.25 3.58 -1.44 -2.90 116.42 117.26 2kg7 h ASP 70 Ca 0.21 -0.37 0.14 0.00 0.42 0.00 0.00 57.03 57.42 2kg7 h ASP 70 Cb 0.06 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 2kg7 h ASP 70 CO -0.03 0.54 0.46 0.58 -2.88 0.00 0.00 179.24 177.91 2kg7 h VAL 71 N -0.11 0.80 -0.06 2.25 2.07 -1.37 0.17 116.25 120.00 2kg7 h VAL 71 Ca 0.03 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2kg7 h VAL 71 Cb 0.45 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2kg7 h VAL 71 CO 0.01 0.06 -0.01 0.00 0.02 0.00 0.00 177.57 177.65 2kg7 h ALA 72 N 1.68 0.08 -0.26 1.67 0.00 -1.19 0.14 119.26 121.38 2kg7 h ALA 72 Ca 0.32 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2kg7 h ALA 72 Cb 0.83 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2kg7 h ALA 72 CO -0.08 -0.22 -0.34 1.96 0.00 0.00 0.00 179.25 180.57 2kg7 h GLN 73 N -0.22 0.56 -0.20 0.00 4.20 -1.13 0.11 115.11 118.44 2kg7 h GLN 73 Ca 0.02 -0.26 -0.14 0.00 0.06 0.00 0.00 58.65 58.33 2kg7 h GLN 73 Cb 0.38 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2kg7 h GLN 73 CO 0.00 0.83 -0.46 0.00 -0.67 0.00 0.00 178.83 178.53 2kg7 h ALA 74 N 1.16 0.83 0.22 3.87 0.00 -0.66 0.12 119.26 124.80 2kg7 h ALA 74 Ca 0.05 -0.47 -0.32 0.00 0.00 0.00 0.00 54.91 54.17 2kg7 h ALA 74 Cb 0.82 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.54 2kg7 h ALA 74 CO 0.07 0.66 -1.42 -0.91 0.00 0.00 0.00 179.25 177.64 2kg7 h ASN 75 N 0.40 0.77 0.53 0.00 -0.26 -0.81 -3.30 115.58 112.91 2kg7 h ASN 75 Ca 0.02 -0.81 -0.16 0.00 -0.56 0.00 0.00 56.30 54.79 2kg7 h ASN 75 Cb 0.97 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.96 2kg7 h ASN 75 CO 0.09 1.63 -0.72 -0.07 -1.06 0.00 0.00 177.43 177.30 2kg7 h LEU 76 N 0.14 0.19 0.00 1.61 3.38 -0.77 -3.47 115.31 116.39 2kg7 h LEU 76 Ca -0.23 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2kg7 h LEU 76 Cb 2.12 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.81 2kg7 h LEU 76 CO 0.26 0.84 0.00 0.61 0.09 0.00 0.00 178.44 180.24 2kg7 n GLY 77 N 0.51 1.74 0.37 0.83 0.00 0.42 -4.30 105.19 104.77 2kg7 n GLY 77 Ca -0.02 -0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.17 2kg7 n GLY 77 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kg7 h GLU 78 N 0.00 0.12 0.81 1.61 5.08 -1.91 -2.56 114.58 117.73 2kg7 h GLU 78 Ca 0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2kg7 h GLU 78 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2kg7 h GLU 78 CO 0.00 0.08 -0.47 0.00 -1.00 0.00 0.00 179.01 177.62 2kg7 h ALA 79 N 1.72 -1.28 -1.65 3.43 0.00 -1.78 -3.45 119.26 116.25 2kg7 h ALA 79 Ca 0.27 -0.25 0.24 0.00 0.00 0.00 0.00 54.91 55.17 2kg7 h ALA 79 Cb 0.90 0.56 -0.16 0.00 0.00 0.00 0.00 17.79 19.09 2kg7 h ALA 79 CO -0.03 -1.23 0.74 0.00 0.00 0.00 0.00 179.25 178.74 2kg7 s ALA 80 N -5.77 -2.04 0.00 0.00 0.00 -0.96 -4.52 121.76 108.47 2kg7 s ALA 80 Ca -0.18 1.22 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2kg7 s ALA 80 Cb 0.03 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.27 2kg7 s ALA 80 CO 0.56 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.99 2kg7 n GLY 81 N -0.23 3.39 3.73 0.00 0.00 -1.26 -3.63 105.19 107.19 2kg7 n GLY 81 Ca -0.03 -2.03 0.01 0.00 0.00 0.00 0.00 46.02 43.96 2kg7 n GLY 81 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kg7 s THR 82 N 1.77 0.00 0.75 2.61 -1.32 -1.26 -4.80 115.64 113.39 2kg7 s THR 82 Ca 0.00 -0.32 -0.13 0.00 -1.21 0.00 0.00 61.69 60.04 2kg7 s THR 82 Cb 0.00 -2.24 0.19 0.00 -1.51 0.00 0.00 72.50 68.94 2kg7 s THR 82 CO 0.00 0.00 0.61 0.00 -2.21 0.00 0.00 174.62 173.02 2kg7 n TYR 83 N -0.58 -3.43 -2.63 9.09 4.11 -1.26 -4.88 117.16 117.59 2kg7 n TYR 83 Ca -0.06 -0.56 -0.42 0.00 -0.00 0.00 0.00 57.90 56.86 2kg7 n TYR 83 Cb 0.61 -0.68 -0.01 0.00 -0.00 0.00 0.00 39.34 39.26 2kg7 n TYR 83 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2kg7 s VAL 84 N -2.06 4.18 -0.95 -3.48 1.01 -1.26 -4.85 120.40 112.99 2kg7 s VAL 84 Ca 0.41 -1.59 -0.04 0.00 0.00 0.00 0.00 61.98 60.76 2kg7 s VAL 84 Cb -0.05 -5.10 0.18 0.00 0.00 0.00 0.00 36.38 31.41 2kg7 s VAL 84 CO 0.32 -1.93 2.33 0.00 0.00 0.00 0.00 175.10 175.83 2kg7 n ALA 85 N 8.17 6.52 0.20 5.51 0.00 -1.26 -4.63 120.51 135.03 2kg7 n ALA 85 Ca 0.41 -3.91 0.06 0.00 0.00 0.00 0.00 53.44 50.01 2kg7 n ALA 85 Cb 0.48 -2.37 0.40 0.00 0.00 0.00 0.00 19.45 17.96 2kg7 n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg7 h ALA 86 N 3.85 1.10 -2.33 0.00 0.00 -2.03 -3.49 119.26 116.36 2kg7 h ALA 86 Ca 0.56 -0.30 0.14 0.00 0.00 0.00 0.00 54.91 55.31 2kg7 h ALA 86 Cb 0.38 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2kg7 h ALA 86 CO 1.24 0.42 -0.18 -0.25 0.00 0.00 0.00 179.25 180.48 2kg7 n ASP 87 N -3.64 -6.64 0.00 0.00 8.00 -1.26 -4.94 116.55 108.07 2kg7 n ASP 87 Ca -0.01 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.03 2kg7 n ASP 87 Cb 0.45 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 2kg7 n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kg7 n ALA 88 N -0.78 0.00 -0.01 2.24 0.00 -1.26 -4.94 120.51 115.76 2kg7 n ALA 88 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2kg7 n ALA 88 Cb 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.54 2kg7 n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg7 h ALA 89 N 0.00 0.18 0.00 0.00 0.00 -1.94 -3.35 119.26 114.15 2kg7 h ALA 89 Ca 0.00 -1.07 -0.12 0.00 0.00 0.00 0.00 54.91 53.71 2kg7 h ALA 89 Cb 0.00 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2kg7 h ALA 89 CO 0.00 0.78 -0.59 0.00 0.00 0.00 0.00 179.25 179.44 2kg7 h ALA 90 N -0.09 0.88 -0.10 0.00 0.00 -1.98 -3.26 119.26 114.72 2kg7 h ALA 90 Ca -0.29 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.11 2kg7 h ALA 90 Cb 1.68 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 2kg7 h ALA 90 CO 0.03 0.74 -0.13 0.00 0.00 0.00 0.00 179.25 179.89 2kg7 h ALA 91 N 1.41 -0.06 -1.18 0.00 0.00 -1.92 -3.45 119.26 114.06 2kg7 h ALA 91 Ca -0.01 0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.11 2kg7 h ALA 91 Cb 1.15 0.25 -0.28 0.00 0.00 0.00 0.00 17.79 18.91 2kg7 h ALA 91 CO 0.08 -0.59 0.46 0.45 0.00 0.00 0.00 179.25 179.65 2kg7 s SER 92 N -5.07 -0.37 -0.04 0.00 0.15 -1.23 -5.07 113.70 102.08 2kg7 s SER 92 Ca -0.14 0.56 -0.24 0.00 0.70 0.00 0.00 55.95 56.83 2kg7 s SER 92 Cb 0.10 1.24 -0.18 0.00 -1.71 0.00 0.00 66.02 65.46 2kg7 s SER 92 CO 0.67 -0.09 1.06 0.71 1.20 0.00 0.00 173.24 176.80 2kg7 h THR 93 N 5.11 1.07 0.00 6.45 1.35 -1.87 -3.44 112.91 121.58 2kg7 h THR 93 Ca -0.24 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 2kg7 h THR 93 Cb 1.16 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 2kg7 h THR 93 CO 0.17 0.25 0.00 0.00 -0.25 0.00 0.00 175.52 175.70 2kg7 n TYR 94 N -4.91 0.00 -3.01 4.73 4.11 -1.26 -5.09 117.16 111.73 2kg7 n TYR 94 Ca -0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.71 2kg7 n TYR 94 Cb 0.27 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.62 2kg7 n TYR 94 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 2kg7 n THR 95 N -0.86 -9.82 -2.16 -3.48 -1.04 -1.26 -5.04 114.28 90.62 2kg7 n THR 95 Ca 0.00 0.54 0.00 0.00 -2.04 0.00 0.00 64.05 62.55 2kg7 n THR 95 Cb 0.00 -6.64 0.00 0.00 -1.82 0.00 0.00 70.33 61.87 2kg7 n THR 95 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kg7 n GLY 96 N -0.64 5.43 0.00 3.41 0.00 -1.26 -5.27 105.19 106.86 2kg7 n GLY 96 Ca 0.05 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2kg7 n GLY 96 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65