#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfy s THR 2 N 0.00 2.26 -1.51 4.28 -1.32 -1.26 -4.93 115.64 113.16 1kfy s THR 2 Ca 0.00 0.16 0.17 0.00 -1.21 0.00 0.00 61.69 60.82 1kfy s THR 2 Cb 0.00 -3.07 0.50 0.00 -1.51 0.00 0.00 72.50 68.43 1kfy s THR 2 CO 0.00 -0.03 1.42 0.29 -2.21 0.00 0.00 174.62 174.09 1kfy n LYS 3 N -1.70 2.81 -2.96 7.08 5.02 -1.26 -4.95 118.16 122.20 1kfy n LYS 3 Ca 0.15 -2.41 -0.41 0.00 -2.02 0.00 0.00 58.31 53.62 1kfy n LYS 3 Cb 0.48 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 34.00 1kfy n LYS 3 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1kfy s ARG 4 N -1.02 4.29 -0.61 1.97 0.52 -1.26 -5.03 118.95 117.80 1kfy s ARG 4 Ca 0.38 0.90 0.05 0.00 -0.52 0.00 0.00 55.73 56.54 1kfy s ARG 4 Cb 0.20 -3.56 0.17 0.00 0.52 0.00 0.00 34.95 32.27 1kfy s ARG 4 CO 0.26 -0.27 0.43 0.21 0.02 0.00 0.00 175.30 175.95 1kfy s LYS 5 N 1.97 2.00 -0.19 3.54 2.20 -1.26 -5.08 119.74 122.92 1kfy s LYS 5 Ca 0.36 -2.95 -0.32 0.00 -0.36 0.00 0.00 55.97 52.70 1kfy s LYS 5 Cb -0.16 -2.87 -0.09 0.00 -1.51 0.00 0.00 37.83 33.20 1kfy s LYS 5 CO 0.12 -1.30 2.10 -2.30 -0.36 0.00 0.00 175.35 173.62 1kfy n PRO 6 N 2.31 1.91 -3.19 4.03 -0.02 -1.26 -4.96 135.00 133.82 1kfy n PRO 6 Ca 0.21 0.60 -0.40 0.00 -2.02 0.00 0.00 63.50 61.90 1kfy n PRO 6 Cb 0.38 -2.87 -0.07 0.00 -0.02 0.00 0.00 33.50 30.92 1kfy n PRO 6 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1kfy s TYR 7 N 6.55 3.32 -0.46 6.00 5.04 -1.26 -5.03 117.35 131.50 1kfy s TYR 7 Ca 1.00 0.76 -0.11 0.00 -2.44 0.00 0.00 57.07 56.28 1kfy s TYR 7 Cb -0.57 -2.75 0.10 0.00 0.35 0.00 0.00 41.96 39.10 1kfy s TYR 7 CO 0.44 -0.23 0.34 0.08 -1.34 0.00 0.00 175.55 174.84 1kfy s VAL 8 N 2.11 4.44 0.51 3.14 1.01 -1.26 -5.07 120.40 125.27 1kfy s VAL 8 Ca 0.24 -1.57 -0.23 0.00 0.00 0.00 0.00 61.98 60.43 1kfy s VAL 8 Cb -0.16 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 1kfy s VAL 8 CO 0.09 -0.69 1.26 0.54 0.00 0.00 0.00 175.10 176.30 1kfy n ARG 9 N 4.98 1.65 -2.89 2.72 1.74 -1.26 -4.98 116.66 118.62 1kfy n ARG 9 Ca -0.10 0.60 -0.28 0.00 -0.77 0.00 0.00 57.85 57.30 1kfy n ARG 9 Cb 0.42 -2.43 -0.02 0.00 -1.02 0.00 0.00 32.46 29.41 1kfy n ARG 9 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1kfy s PRO 10 N -2.60 3.63 -0.36 5.56 0.04 -1.26 -5.06 135.00 134.95 1kfy s PRO 10 Ca 0.68 0.21 0.01 0.00 0.04 0.00 0.00 61.00 61.95 1kfy s PRO 10 Cb -0.45 -2.45 0.10 0.00 0.04 0.00 0.00 34.50 31.74 1kfy s PRO 10 CO 0.52 -0.05 0.09 1.41 0.04 0.00 0.00 177.00 179.02 1kfy s MET 11 N -4.21 1.77 0.93 4.56 1.75 -1.26 -5.11 119.30 117.73 1kfy s MET 11 Ca 0.47 -1.79 -0.11 0.00 -1.25 0.00 0.00 55.69 53.01 1kfy s MET 11 Cb -0.10 -3.33 0.15 0.00 2.84 0.00 0.00 34.83 34.39 1kfy s MET 11 CO 0.37 -0.95 1.09 0.99 -0.65 0.00 0.00 175.02 175.88 1kfy s THR 12 N 1.02 2.50 -0.69 10.11 2.01 -1.26 -4.92 115.64 124.41 1kfy s THR 12 Ca 0.08 0.16 0.22 0.00 0.31 0.00 0.00 61.69 62.47 1kfy s THR 12 Cb -0.20 -2.47 0.22 0.00 0.01 0.00 0.00 72.50 70.06 1kfy s THR 12 CO -0.06 -0.21 1.68 -1.54 -0.69 0.00 0.00 174.62 173.80 1kfy n SER 13 N -4.10 0.48 -1.86 3.53 3.41 -1.26 -2.88 113.62 110.95 1kfy n SER 13 Ca 0.08 0.60 -0.18 0.00 -0.26 0.00 0.00 58.87 59.11 1kfy n SER 13 Cb 0.54 -0.71 0.18 0.00 -0.26 0.00 0.00 64.21 63.96 1kfy n SER 13 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1kfy n THR 14 N -2.01 2.99 -0.17 6.66 -2.24 -1.26 -4.65 114.28 113.60 1kfy n THR 14 Ca 0.03 -2.33 -0.10 0.00 -2.27 0.00 0.00 64.05 59.38 1kfy n THR 14 Cb 0.26 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 1kfy n THR 14 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 1kfy h TRP 15 N 1.08 0.97 0.00 4.78 5.08 -1.90 -2.82 115.95 123.14 1kfy h TRP 15 Ca 0.49 -0.17 -0.01 0.00 1.08 0.00 0.00 58.89 60.27 1kfy h TRP 15 Cb 2.29 -0.25 -0.00 0.00 -3.00 0.00 0.00 29.16 28.20 1kfy h TRP 15 CO 1.38 0.91 -0.05 0.11 -1.28 0.00 0.00 178.44 179.51 1kfy h TRP 16 N 0.75 0.00 0.00 0.12 5.08 -1.88 -2.55 115.95 117.46 1kfy h TRP 16 Ca 0.14 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.11 1kfy h TRP 16 Cb 0.53 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.69 1kfy h TRP 16 CO 0.04 0.05 0.00 0.87 -1.28 0.00 0.00 178.44 178.12 1kfy h LYS 17 N 0.00 0.00 0.00 0.12 1.57 -1.85 -3.05 116.57 113.36 1kfy h LYS 17 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1kfy h LYS 17 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1kfy h LYS 17 CO 0.01 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.52 1kfy n LYS 18 N -2.41 0.00 -2.36 3.15 4.76 -0.96 -4.88 118.16 115.45 1kfy n LYS 18 Ca -0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.01 1kfy n LYS 18 Cb 0.11 -0.19 -0.03 0.00 -1.84 0.00 0.00 35.03 33.08 1kfy n LYS 18 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1kfy s LEU 19 N 0.00 4.37 0.29 -0.35 2.96 -1.26 -4.95 118.68 119.75 1kfy s LEU 19 Ca 0.00 2.08 0.03 0.00 -0.22 0.00 0.00 54.13 56.03 1kfy s LEU 19 Cb 0.00 -3.58 0.74 0.00 0.50 0.00 0.00 46.19 43.85 1kfy s LEU 19 CO 0.00 -0.51 1.66 -0.65 -1.32 0.00 0.00 176.35 175.53 1kfy h PRO 20 N 6.82 0.26 -0.94 0.98 0.11 -1.89 0.11 132.00 137.45 1kfy h PRO 20 Ca -0.42 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 65.86 1kfy h PRO 20 Cb 1.21 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 1kfy h PRO 20 CO 0.82 0.17 0.60 0.35 -0.21 0.00 0.00 178.00 179.74 1kfy h PHE 21 N 0.27 0.80 -0.09 0.65 3.04 -1.93 -0.39 116.94 119.30 1kfy h PHE 21 Ca 0.57 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 62.36 1kfy h PHE 21 Cb 1.14 -0.25 0.01 0.00 2.56 0.00 0.00 35.95 39.41 1kfy h PHE 21 CO -0.21 0.23 -0.64 1.88 -2.02 0.00 0.00 178.31 177.55 1kfy h TYR 22 N 0.62 0.81 -0.43 0.41 0.05 -1.04 -2.78 116.97 114.61 1kfy h TYR 22 Ca 0.50 -0.38 0.08 0.00 0.05 0.00 0.00 58.73 58.98 1kfy h TYR 22 Cb 0.94 -0.12 -0.07 0.00 1.01 0.00 0.00 36.73 38.49 1kfy h TYR 22 CO -0.00 1.18 0.01 0.00 -1.05 0.00 0.00 178.16 178.30 1kfy h ARG 23 N 0.21 0.12 0.00 4.88 3.08 -0.80 0.13 114.38 122.00 1kfy h ARG 23 Ca -0.06 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1kfy h ARG 23 Cb 1.29 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 1kfy h ARG 23 CO 0.13 0.08 -0.15 0.35 -1.07 0.00 0.00 179.97 179.31 1kfy h PHE 24 N 0.12 0.00 -0.14 3.04 3.57 -1.19 0.87 116.94 123.21 1kfy h PHE 24 Ca 0.21 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.60 1kfy h PHE 24 Cb 0.31 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1kfy h PHE 24 CO -0.27 0.15 -0.35 -0.92 -2.23 0.00 0.00 178.31 174.68 1kfy h TYR 25 N 0.00 0.63 -0.34 0.41 3.20 -0.55 -1.06 116.97 119.25 1kfy h TYR 25 Ca -0.00 -0.24 0.02 0.00 3.14 0.00 0.00 58.73 61.65 1kfy h TYR 25 Cb 0.37 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1kfy h TYR 25 CO 0.00 0.97 0.17 0.52 -1.64 0.00 0.00 178.16 178.19 1kfy h MET 26 N 0.11 0.35 -0.16 1.82 2.86 0.21 -1.11 114.93 119.01 1kfy h MET 26 Ca -0.00 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1kfy h MET 26 Cb 0.96 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.50 1kfy h MET 26 CO 0.08 0.23 -0.11 1.25 1.06 0.00 0.00 176.91 179.42 1kfy h LEU 27 N 0.36 -0.35 -0.63 1.22 5.85 -0.80 0.72 115.31 121.67 1kfy h LEU 27 Ca 0.14 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.06 1kfy h LEU 27 Cb 0.05 0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.18 1kfy h LEU 27 CO -0.10 -0.14 0.17 -0.09 -0.34 0.00 0.00 178.44 177.94 1kfy h ARG 28 N -0.11 0.30 0.00 1.25 2.43 -0.27 0.29 114.38 118.28 1kfy h ARG 28 Ca 0.10 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 1kfy h ARG 28 Cb 0.25 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1kfy h ARG 28 CO -0.23 0.20 -0.50 0.93 -1.51 0.00 0.00 179.97 178.86 1kfy h GLU 29 N 0.31 0.00 -0.02 0.20 4.39 -0.12 -2.51 114.58 116.83 1kfy h GLU 29 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1kfy h GLU 29 Cb 0.49 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1kfy h GLU 29 CO -0.39 0.50 0.11 0.78 -1.16 0.00 0.00 179.01 178.84 1kfy h GLY 30 N 2.03 0.00 2.00 -3.84 0.00 0.42 -1.22 103.07 102.45 1kfy h GLY 30 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1kfy h GLY 30 CO 0.06 0.00 -0.01 -0.91 0.00 0.00 0.00 176.54 175.69 1kfy h THR 31 N 0.00 0.11 -0.97 4.70 1.35 -1.00 -2.53 112.91 114.57 1kfy h THR 31 Ca 0.01 -0.10 0.16 0.00 -0.55 0.00 0.00 66.41 65.93 1kfy h THR 31 Cb 0.22 1.09 -0.09 0.00 -1.73 0.00 0.00 68.15 67.64 1kfy h THR 31 CO -0.00 0.01 0.61 0.00 -0.25 0.00 0.00 175.52 175.89 1kfy h ALA 32 N 1.99 1.71 0.28 6.62 0.00 -1.44 -2.72 119.26 125.70 1kfy h ALA 32 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1kfy h ALA 32 Cb 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1kfy h ALA 32 CO 0.00 -0.00 -0.17 0.28 0.00 0.00 0.00 179.25 179.36 1kfy h VAL 33 N 0.80 0.00 -0.33 0.00 2.07 -1.69 -1.35 116.25 115.75 1kfy h VAL 33 Ca 0.51 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.13 1kfy h VAL 33 Cb 0.75 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1kfy h VAL 33 CO -0.28 0.00 0.30 -0.65 0.02 0.00 0.00 177.57 176.95 1kfy h PRO 34 N -0.42 0.00 -0.27 1.57 0.11 -1.74 -0.83 132.00 130.42 1kfy h PRO 34 Ca -0.04 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 1kfy h PRO 34 Cb 0.34 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1kfy h PRO 34 CO 0.04 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 177.81 1kfy h ALA 35 N 1.72 0.37 -0.18 -0.75 0.00 -1.15 -1.90 119.26 117.36 1kfy h ALA 35 Ca 0.16 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1kfy h ALA 35 Cb 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1kfy h ALA 35 CO -0.00 0.13 -0.55 -0.39 0.00 0.00 0.00 179.25 178.44 1kfy h VAL 36 N 0.27 1.31 -0.94 0.00 -1.51 -0.09 -2.68 116.25 112.60 1kfy h VAL 36 Ca 0.07 -1.78 0.21 0.00 -1.23 0.00 0.00 66.70 63.97 1kfy h VAL 36 Cb 0.46 1.92 -0.07 0.00 -2.13 0.00 0.00 31.29 31.47 1kfy h VAL 36 CO 0.02 0.56 0.62 -0.25 -1.23 0.00 0.00 177.57 177.28 1kfy h TRP 37 N 0.40 0.61 -0.09 5.19 2.91 -1.17 0.47 115.95 124.28 1kfy h TRP 37 Ca -0.02 0.02 -0.20 0.00 1.13 0.00 0.00 58.89 59.82 1kfy h TRP 37 Cb 1.17 -0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 29.64 1kfy h TRP 37 CO 0.09 0.14 -0.76 0.35 -1.03 0.00 0.00 178.44 177.23 1kfy h PHE 38 N 0.44 0.68 -0.52 2.65 3.57 -1.22 -0.66 116.94 121.88 1kfy h PHE 38 Ca 0.50 -0.31 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 1kfy h PHE 38 Cb 1.21 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1kfy h PHE 38 CO -0.00 1.09 0.07 0.77 -2.23 0.00 0.00 178.31 178.00 1kfy h SER 39 N 0.34 0.85 0.03 0.41 0.02 0.11 0.19 113.55 115.50 1kfy h SER 39 Ca -0.04 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1kfy h SER 39 Cb 1.35 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1kfy h SER 39 CO 0.14 0.91 -0.04 0.40 -1.14 0.00 0.00 176.83 177.09 1kfy h ILE 40 N 0.76 0.91 -0.90 3.27 1.08 -0.56 -1.33 117.51 120.74 1kfy h ILE 40 Ca 0.16 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.76 1kfy h ILE 40 Cb 0.43 0.91 -0.09 0.00 -3.07 0.00 0.00 36.82 35.00 1kfy h ILE 40 CO 0.01 0.00 0.51 -0.33 -0.69 0.00 0.00 178.15 177.65 1kfy h GLU 41 N -0.08 0.74 -0.12 2.37 5.08 -0.66 0.26 114.58 122.16 1kfy h GLU 41 Ca 0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1kfy h GLU 41 Cb 0.09 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1kfy h GLU 41 CO -0.02 0.49 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.35 1kfy h LEU 42 N 0.76 0.17 -0.13 1.33 3.38 -0.09 -1.57 115.31 119.15 1kfy h LEU 42 Ca 0.47 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.35 1kfy h LEU 42 Cb 0.59 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1kfy h LEU 42 CO -0.32 0.25 -0.21 0.40 0.09 0.00 0.00 178.44 178.65 1kfy h ILE 43 N 0.18 1.37 -0.24 1.22 2.04 0.55 -0.20 117.51 122.42 1kfy h ILE 43 Ca 0.04 -1.45 0.05 0.00 1.00 0.00 0.00 64.86 64.50 1kfy h ILE 43 Cb 0.22 2.00 -0.07 0.00 -0.74 0.00 0.00 36.82 38.22 1kfy h ILE 43 CO 0.01 0.42 -0.49 -0.26 0.00 0.00 0.00 178.15 177.83 1kfy h PHE 44 N -0.03 -1.45 -0.65 1.37 -1.00 -0.64 0.05 116.94 114.58 1kfy h PHE 44 Ca 0.01 0.06 0.10 0.00 2.81 0.00 0.00 57.97 60.95 1kfy h PHE 44 Cb 0.78 0.67 -0.07 0.00 3.61 0.00 0.00 35.95 40.93 1kfy h PHE 44 CO 0.10 -0.50 0.27 0.78 -1.61 0.00 0.00 178.31 177.35 1kfy h GLY 45 N -0.47 0.94 0.70 -1.45 0.00 -1.32 0.15 103.07 101.62 1kfy h GLY 45 Ca 0.07 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.29 1kfy h GLY 45 CO -0.49 -0.00 0.15 -2.00 0.00 0.00 0.00 176.54 174.20 1kfy h LEU 46 N 0.47 0.19 -0.37 3.11 5.85 0.51 0.15 115.31 125.21 1kfy h LEU 46 Ca 0.33 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.96 1kfy h LEU 46 Cb 0.40 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1kfy h LEU 46 CO -0.30 0.14 -0.62 -0.26 -0.34 0.00 0.00 178.44 177.06 1kfy h PHE 47 N 0.32 0.00 0.00 1.25 0.04 -0.55 -2.75 116.94 115.26 1kfy h PHE 47 Ca 0.18 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.83 1kfy h PHE 47 Cb 0.14 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 1kfy h PHE 47 CO -0.13 0.62 -0.58 0.00 -0.60 0.00 0.00 178.31 177.62 1kfy h ALA 48 N 1.38 1.02 -0.68 2.45 0.00 -0.35 -1.43 119.26 121.65 1kfy h ALA 48 Ca -0.01 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1kfy h ALA 48 Cb 1.31 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1kfy h ALA 48 CO 0.08 0.72 0.17 1.25 0.00 0.00 0.00 179.25 181.47 1kfy h LEU 49 N 0.00 1.01 -0.21 0.00 5.85 -0.51 -2.81 115.31 118.63 1kfy h LEU 49 Ca -0.01 -0.20 -0.20 0.00 0.84 0.00 0.00 57.88 58.31 1kfy h LEU 49 Cb 1.04 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1kfy h LEU 49 CO 0.07 0.97 -0.92 0.11 -0.34 0.00 0.00 178.44 178.33 1kfy h LYS 50 N 1.02 0.11 -1.00 1.25 1.79 -1.19 -3.24 116.57 115.31 1kfy h LYS 50 Ca 0.22 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1kfy h LYS 50 Cb 0.35 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1kfy h LYS 50 CO -0.00 0.95 0.03 0.09 -1.08 0.00 0.00 179.45 179.45 1kfy n ASN 51 N -3.56 2.90 -0.49 0.86 5.03 -0.57 -4.97 115.26 114.47 1kfy n ASN 51 Ca -0.03 -2.09 0.05 0.00 0.87 0.00 0.00 54.58 53.38 1kfy n ASN 51 Cb 0.85 -0.52 -0.03 0.00 -1.02 0.00 0.00 39.78 39.06 1kfy n ASN 51 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kfy n GLY 52 N 0.38 -2.94 0.52 7.41 0.00 -1.23 -3.84 105.19 105.50 1kfy n GLY 52 Ca 0.03 -1.29 0.41 0.00 0.00 0.00 0.00 46.02 45.18 1kfy n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kfy h PRO 53 N -0.38 0.04 -0.25 1.61 0.13 -1.85 0.67 132.00 131.97 1kfy h PRO 53 Ca -0.06 -0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1kfy h PRO 53 Cb 0.44 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 1kfy h PRO 53 CO 0.02 0.02 0.15 1.49 -0.23 0.00 0.00 178.00 179.45 1kfy h GLU 54 N 0.04 0.29 -0.10 0.86 4.57 -1.92 -1.43 114.58 116.90 1kfy h GLU 54 Ca 0.86 -0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 58.83 1kfy h GLU 54 Cb 2.91 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 31.44 1kfy h GLU 54 CO -0.34 0.19 -0.68 0.00 -1.18 0.00 0.00 179.01 177.01 1kfy h ALA 55 N 1.11 0.21 -0.89 2.92 0.00 0.19 -3.09 119.26 119.71 1kfy h ALA 55 Ca 0.09 -0.57 0.04 0.00 0.00 0.00 0.00 54.91 54.48 1kfy h ALA 55 Cb -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1kfy h ALA 55 CO -0.04 0.52 0.58 2.35 0.00 0.00 0.00 179.25 182.66 1kfy h TRP 56 N 0.27 1.06 0.00 0.00 2.91 -1.07 0.43 115.95 119.55 1kfy h TRP 56 Ca -0.06 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.95 1kfy h TRP 56 Cb 1.32 -0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 29.62 1kfy h TRP 56 CO 0.11 0.60 -0.18 0.00 -1.03 0.00 0.00 178.44 177.94 1kfy h ALA 57 N 1.49 1.21 0.01 2.65 0.00 -1.25 -1.28 119.26 122.09 1kfy h ALA 57 Ca 0.36 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 1kfy h ALA 57 Cb 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1kfy h ALA 57 CO -0.11 0.22 -0.90 0.78 0.00 0.00 0.00 179.25 179.24 1kfy h GLY 58 N 1.22 0.08 0.51 0.00 0.00 -0.89 -1.39 103.07 102.60 1kfy h GLY 58 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1kfy h GLY 58 CO 0.02 0.14 -0.03 -2.75 0.00 0.00 0.00 176.54 173.92 1kfy h PHE 59 N 0.03 -0.09 -0.59 5.60 3.04 -0.19 -2.06 116.94 122.68 1kfy h PHE 59 Ca -0.03 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 61.98 1kfy h PHE 59 Cb 1.56 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 40.07 1kfy h PHE 59 CO 0.01 0.37 0.39 0.28 -2.02 0.00 0.00 178.31 177.34 1kfy h VAL 60 N -0.59 1.01 -0.58 1.41 2.07 -1.31 0.26 116.25 118.52 1kfy h VAL 60 Ca -0.01 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 1kfy h VAL 60 Cb 0.50 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1kfy h VAL 60 CO 0.02 0.11 -0.01 -0.78 0.02 0.00 0.00 177.57 176.92 1kfy h ASP 61 N 0.59 1.00 -0.07 0.57 3.58 -1.14 -2.45 116.42 118.50 1kfy h ASP 61 Ca 0.25 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 1kfy h ASP 61 Cb 0.25 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 1kfy h ASP 61 CO -0.07 1.06 0.04 0.15 -2.88 0.00 0.00 179.24 177.54 1kfy h PHE 62 N 0.93 0.09 0.00 0.28 3.04 0.18 -1.92 116.94 119.54 1kfy h PHE 62 Ca 0.17 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.12 1kfy h PHE 62 Cb 0.55 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.04 1kfy h PHE 62 CO 0.04 0.09 -0.00 -0.07 -2.02 0.00 0.00 178.31 176.34 1kfy h LEU 63 N 0.07 0.00 -0.94 0.59 3.38 -0.85 -0.62 115.31 116.93 1kfy h LEU 63 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1kfy h LEU 63 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1kfy h LEU 63 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1kfy n GLN 64 N -3.11 1.62 -0.00 1.13 6.02 -0.73 -4.12 117.38 118.20 1kfy n GLN 64 Ca -0.03 -0.93 -0.00 0.00 -0.01 0.00 0.00 57.00 56.03 1kfy n GLN 64 Cb 0.08 -1.38 -0.00 0.00 1.02 0.00 0.00 30.24 29.96 1kfy n GLN 64 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1kfy n ASN 65 N 0.16 -0.00 -0.76 1.08 2.85 -0.24 -4.81 115.26 113.53 1kfy n ASN 65 Ca 0.16 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.69 1kfy n ASN 65 Cb 0.29 -0.00 0.17 0.00 1.24 0.00 0.00 39.78 41.48 1kfy n ASN 65 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1kfy n PRO 66 N -4.00 2.00 -0.12 1.20 -0.04 -1.26 -4.78 135.00 128.00 1kfy n PRO 66 Ca 0.00 -1.41 -0.12 0.00 -0.04 0.00 0.00 63.50 61.92 1kfy n PRO 66 Cb 0.00 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.10 1kfy n PRO 66 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1kfy h VAL 67 N 2.24 1.27 0.00 0.52 2.07 -1.94 -1.75 116.25 118.67 1kfy h VAL 67 Ca 0.00 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 65.95 1kfy h VAL 67 Cb 0.59 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1kfy h VAL 67 CO 0.02 0.51 -0.19 0.40 0.02 0.00 0.00 177.57 178.34 1kfy h ILE 68 N 0.77 0.98 -0.12 4.57 1.08 -1.86 -0.38 117.51 122.54 1kfy h ILE 68 Ca 0.07 -0.68 -0.12 0.00 -0.39 0.00 0.00 64.86 63.73 1kfy h ILE 68 Cb 0.95 1.38 -0.01 0.00 -3.07 0.00 0.00 36.82 36.07 1kfy h ILE 68 CO 0.09 0.18 -0.47 0.58 -0.69 0.00 0.00 178.15 177.85 1kfy h VAL 69 N 0.00 1.33 0.03 1.67 2.07 -1.55 -0.32 116.25 119.48 1kfy h VAL 69 Ca -0.00 -1.66 -0.00 0.00 0.82 0.00 0.00 66.70 65.86 1kfy h VAL 69 Cb 0.37 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1kfy h VAL 69 CO 0.02 0.50 -0.01 0.40 0.02 0.00 0.00 177.57 178.50 1kfy h ILE 70 N 0.25 1.34 -0.86 4.57 2.04 -0.48 -1.44 117.51 122.93 1kfy h ILE 70 Ca 0.02 -1.20 0.13 0.00 1.00 0.00 0.00 64.86 64.81 1kfy h ILE 70 Cb 0.92 2.14 -0.09 0.00 -0.74 0.00 0.00 36.82 39.05 1kfy h ILE 70 CO 0.08 0.30 0.47 0.40 0.00 0.00 0.00 178.15 179.40 1kfy h ILE 71 N -0.56 0.80 0.00 -0.67 2.04 -1.02 0.15 117.51 118.25 1kfy h ILE 71 Ca -0.00 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 1kfy h ILE 71 Cb 0.53 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1kfy h ILE 71 CO 0.01 0.13 -0.43 0.78 0.00 0.00 0.00 178.15 178.64 1kfy h ASN 72 N 0.71 0.00 -0.23 1.72 -0.26 -1.01 0.17 115.58 116.68 1kfy h ASN 72 Ca 0.45 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 56.05 1kfy h ASN 72 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 1kfy h ASN 72 CO -0.32 0.43 -0.40 -0.07 -1.06 0.00 0.00 177.43 176.01 1kfy h LEU 73 N 0.00 0.75 -0.71 1.61 3.38 0.24 -1.39 115.31 119.19 1kfy h LEU 73 Ca -0.00 -0.53 0.04 0.00 0.09 0.00 0.00 57.88 57.47 1kfy h LEU 73 Cb 0.91 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1kfy h LEU 73 CO 0.06 1.14 0.44 0.40 0.09 0.00 0.00 178.44 180.56 1kfy h ILE 74 N 0.39 1.08 -0.62 1.22 2.04 -0.46 -0.53 117.51 120.62 1kfy h ILE 74 Ca 0.02 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.64 1kfy h ILE 74 Cb 1.00 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1kfy h ILE 74 CO 0.09 0.15 0.41 0.74 0.00 0.00 0.00 178.15 179.54 1kfy h THR 75 N 0.84 1.02 -0.14 -0.27 2.02 -0.38 -0.70 112.91 115.32 1kfy h THR 75 Ca 0.29 -0.22 -0.18 0.00 0.77 0.00 0.00 66.41 67.08 1kfy h THR 75 Cb 0.05 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1kfy h THR 75 CO -0.12 0.12 -0.60 0.25 0.37 0.00 0.00 175.52 175.53 1kfy h LEU 76 N 0.63 0.76 0.18 2.58 5.85 -0.03 -1.15 115.31 124.13 1kfy h LEU 76 Ca 0.26 -0.63 0.01 0.00 0.84 0.00 0.00 57.88 58.37 1kfy h LEU 76 Cb 0.23 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1kfy h LEU 76 CO -0.08 1.27 -0.31 0.00 -0.34 0.00 0.00 178.44 178.98 1kfy h ALA 77 N 0.52 -0.57 -0.83 1.25 0.00 -0.55 0.09 119.26 119.17 1kfy h ALA 77 Ca -0.04 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.93 1kfy h ALA 77 Cb 1.24 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 19.43 1kfy h ALA 77 CO 0.13 -0.87 0.45 0.00 0.00 0.00 0.00 179.25 178.96 1kfy h ALA 78 N 0.06 1.22 -0.91 0.00 0.00 -1.17 -0.06 119.26 118.41 1kfy h ALA 78 Ca 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1kfy h ALA 78 Cb 0.57 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1kfy h ALA 78 CO -0.14 -0.00 0.52 0.00 0.00 0.00 0.00 179.25 179.62 1kfy h ALA 79 N 1.51 1.20 -0.21 0.00 0.00 -0.38 -0.58 119.26 120.80 1kfy h ALA 79 Ca 0.43 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 55.05 1kfy h ALA 79 Cb 0.51 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1kfy h ALA 79 CO -0.31 0.66 -0.54 -0.07 0.00 0.00 0.00 179.25 179.00 1kfy h LEU 80 N 1.26 0.84 -1.20 0.00 3.38 0.63 -1.37 115.31 118.85 1kfy h LEU 80 Ca 0.32 -0.57 0.11 0.00 0.09 0.00 0.00 57.88 57.83 1kfy h LEU 80 Cb -0.01 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.43 1kfy h LEU 80 CO -0.06 1.26 0.58 0.25 0.09 0.00 0.00 178.44 180.56 1kfy h LEU 81 N 0.46 0.78 -0.26 1.67 5.85 -0.66 0.46 115.31 123.61 1kfy h LEU 81 Ca -0.01 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1kfy h LEU 81 Cb 1.15 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1kfy h LEU 81 CO 0.12 0.44 -0.02 -0.74 -0.34 0.00 0.00 178.44 177.90 1kfy h HIS 82 N 0.85 0.51 -0.39 1.25 2.76 -0.80 -1.26 115.15 118.07 1kfy h HIS 82 Ca 0.43 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.49 1kfy h HIS 82 Cb 0.49 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 1kfy h HIS 82 CO -0.00 0.64 0.18 1.15 -1.30 0.00 0.00 177.93 178.60 1kfy h THR 83 N 0.23 1.18 0.38 6.26 2.02 0.16 0.32 112.91 123.47 1kfy h THR 83 Ca 0.07 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1kfy h THR 83 Cb 0.45 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1kfy h THR 83 CO 0.02 0.20 -0.50 0.50 0.37 0.00 0.00 175.52 176.10 1kfy h LYS 84 N 0.49 -0.88 -0.19 6.66 3.11 -0.11 -1.99 116.57 123.66 1kfy h LYS 84 Ca 0.13 0.06 -0.10 0.00 -2.81 0.00 0.00 60.65 57.93 1kfy h LYS 84 Cb 0.14 0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 1kfy h LYS 84 CO -0.01 -0.59 -0.32 1.79 -2.81 0.00 0.00 179.45 177.51 1kfy h THR 85 N -0.91 1.28 -0.02 1.00 1.35 -1.12 -2.90 112.91 111.58 1kfy h THR 85 Ca -0.04 -1.36 0.01 0.00 -0.55 0.00 0.00 66.41 64.47 1kfy h THR 85 Cb 0.83 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 68.72 1kfy h THR 85 CO -0.13 0.42 -0.03 -0.25 -0.25 0.00 0.00 175.52 175.28 1kfy h TRP 86 N 0.34 -0.07 -0.90 4.73 2.91 -0.22 -2.30 115.95 120.44 1kfy h TRP 86 Ca 0.04 0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.12 1kfy h TRP 86 Cb 0.73 0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 29.36 1kfy h TRP 86 CO 0.02 -0.05 0.57 0.74 -1.03 0.00 0.00 178.44 178.69 1kfy h PHE 87 N -0.04 1.06 -0.46 2.65 0.05 -1.25 0.57 116.94 119.51 1kfy h PHE 87 Ca 0.02 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.84 1kfy h PHE 87 Cb 0.08 -0.35 -0.02 0.00 2.00 0.00 0.00 35.95 37.66 1kfy h PHE 87 CO -0.12 0.56 0.28 0.93 -0.18 0.00 0.00 178.31 179.79 1kfy h GLU 88 N 1.06 0.63 0.01 1.51 5.08 -1.27 -3.29 114.58 118.30 1kfy h GLU 88 Ca 0.38 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.50 1kfy h GLU 88 Cb 0.12 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.26 1kfy h GLU 88 CO -0.16 0.45 -0.72 -0.07 -1.00 0.00 0.00 179.01 177.51 1kfy h LEU 89 N 0.62 0.63 -0.82 1.33 3.38 -0.88 -3.37 115.31 116.19 1kfy h LEU 89 Ca 0.17 -0.76 0.17 0.00 0.09 0.00 0.00 57.88 57.55 1kfy h LEU 89 Cb -0.02 -0.19 -0.15 0.00 0.09 0.00 0.00 40.66 40.39 1kfy h LEU 89 CO -0.03 1.31 -0.17 0.00 0.09 0.00 0.00 178.44 179.63 1kfy h ALA 90 N 0.33 0.60 -0.04 1.53 0.00 -0.97 0.02 119.26 120.74 1kfy h ALA 90 Ca -0.09 0.31 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1kfy h ALA 90 Cb 1.42 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 19.81 1kfy h ALA 90 CO 0.14 -0.41 0.12 -1.35 0.00 0.00 0.00 179.25 177.75 1kfy h PRO 91 N 0.01 0.00 0.00 0.00 0.11 -1.73 -1.46 132.00 128.94 1kfy h PRO 91 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1kfy h PRO 91 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1kfy h PRO 91 CO -0.83 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 178.59 1kfy n LYS 92 N -3.24 0.54 0.04 1.05 4.76 -0.01 -2.21 118.16 119.10 1kfy n LYS 92 Ca -0.02 0.03 0.11 0.00 -2.87 0.00 0.00 58.31 55.56 1kfy n LYS 92 Cb 0.20 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.86 1kfy n LYS 92 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kfy n ALA 93 N -1.07 3.07 -2.78 7.82 0.00 -0.55 -4.91 120.51 122.09 1kfy n ALA 93 Ca 0.14 -0.38 -0.35 0.00 0.00 0.00 0.00 53.44 52.84 1kfy n ALA 93 Cb 0.09 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 1kfy n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kfy s ALA 94 N -3.30 3.58 -0.64 0.00 0.00 -0.94 -5.06 121.76 115.40 1kfy s ALA 94 Ca 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.25 1kfy s ALA 94 Cb 0.13 -1.69 0.16 0.00 0.00 0.00 0.00 23.12 21.72 1kfy s ALA 94 CO 0.82 0.63 0.42 1.21 0.00 0.00 0.00 175.76 178.83 1kfy s ASN 95 N -1.16 4.66 -0.11 0.00 3.84 -1.26 -5.04 114.94 115.88 1kfy s ASN 95 Ca 0.16 -3.57 -0.02 0.00 0.21 0.00 0.00 52.86 49.64 1kfy s ASN 95 Cb -0.12 -1.64 -0.03 0.00 -0.55 0.00 0.00 41.25 38.91 1kfy s ASN 95 CO 0.06 -0.13 -0.04 -0.63 -2.79 0.00 0.00 177.10 173.57 1kfy s ILE 96 N -1.07 3.92 -0.21 -5.21 1.01 -1.26 -5.05 121.20 113.33 1kfy s ILE 96 Ca 0.22 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.44 1kfy s ILE 96 Cb -0.12 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 1kfy s ILE 96 CO -0.11 0.55 0.01 -0.63 0.00 0.00 0.00 174.94 174.76 1kfy s ILE 97 N -0.29 4.02 -0.39 2.92 -1.09 -1.26 -0.99 121.20 124.12 1kfy s ILE 97 Ca 0.05 -0.29 0.02 0.00 -2.23 0.00 0.00 60.65 58.20 1kfy s ILE 97 Cb -0.13 -2.83 0.11 0.00 -1.58 0.00 0.00 42.46 38.04 1kfy s ILE 97 CO 0.02 0.41 0.13 0.68 -1.23 0.00 0.00 174.94 174.96 1kfy s VAL 98 N 1.11 2.66 -1.15 2.92 -7.23 0.47 -4.76 120.40 114.41 1kfy s VAL 98 Ca 0.03 -2.40 -0.06 0.00 -1.81 0.00 0.00 61.98 57.73 1kfy s VAL 98 Cb -0.14 -2.89 0.01 0.00 0.56 0.00 0.00 36.38 33.91 1kfy s VAL 98 CO 0.02 -0.66 1.00 0.29 -0.31 0.00 0.00 175.10 175.44 1kfy n LYS 99 N 4.18 -6.71 -0.21 4.82 5.02 -1.26 -3.03 118.16 120.97 1kfy n LYS 99 Ca 0.03 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 1kfy n LYS 99 Cb 0.41 -5.42 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 1kfy n LYS 99 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1kfy n ASP 100 N -2.47 -0.11 -4.13 4.39 8.00 -1.26 -5.05 116.55 115.91 1kfy n ASP 100 Ca -0.03 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.24 1kfy n ASP 100 Cb 0.57 -0.02 -0.15 0.00 -0.02 0.00 0.00 41.12 41.50 1kfy n ASP 100 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1kfy s GLU 101 N -0.79 1.18 -0.51 -1.24 2.02 -1.17 -5.09 118.70 113.10 1kfy s GLU 101 Ca 0.00 -0.58 -0.28 0.00 0.02 0.00 0.00 54.97 54.12 1kfy s GLU 101 Cb 0.00 -1.15 0.03 0.00 0.10 0.00 0.00 34.13 33.11 1kfy s GLU 101 CO 0.00 0.31 1.13 0.21 0.02 0.00 0.00 175.26 176.94 1kfy s LYS 102 N -0.50 3.64 0.00 1.61 2.20 -1.26 -0.40 119.74 125.03 1kfy s LYS 102 Ca 0.05 0.42 0.00 0.00 -0.36 0.00 0.00 55.97 56.09 1kfy s LYS 102 Cb -0.06 -3.94 0.00 0.00 -1.51 0.00 0.00 37.83 32.31 1kfy s LYS 102 CO -0.00 -1.46 0.00 0.00 -0.36 0.00 0.00 175.35 173.53 1kfy n MET 103 N 7.96 1.45 0.00 4.03 0.00 -0.16 -4.96 117.12 125.44 1kfy n MET 103 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.80 1kfy n MET 103 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.71 1kfy n MET 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1kfy n GLY 104 N 4.73 -1.29 0.09 3.17 0.00 -1.26 -4.84 105.19 105.79 1kfy n GLY 104 Ca 0.00 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 1kfy n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kfy h PRO 105 N 0.00 0.06 -0.56 1.61 0.13 -1.96 -3.44 132.00 127.84 1kfy h PRO 105 Ca 0.00 -0.11 0.10 0.00 -0.87 0.00 0.00 66.00 65.12 1kfy h PRO 105 Cb 0.00 0.04 -0.10 0.00 0.13 0.00 0.00 31.00 31.07 1kfy h PRO 105 CO 0.00 0.77 -0.19 0.39 -0.23 0.00 0.00 178.00 178.73 1kfy n GLU 106 N -3.22 -0.10 -0.21 0.86 4.71 -1.26 0.35 120.64 121.77 1kfy n GLU 106 Ca -0.14 0.87 -0.04 0.00 -0.01 0.00 0.00 57.16 57.84 1kfy n GLU 106 Cb 1.03 -1.29 0.07 0.00 -1.01 0.00 0.00 31.44 30.23 1kfy n GLU 106 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1kfy h PRO 107 N 0.00 0.69 0.03 3.49 0.11 -1.99 -0.65 132.00 133.68 1kfy h PRO 107 Ca 0.22 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1kfy h PRO 107 Cb 0.36 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1kfy h PRO 107 CO -0.57 0.45 -0.01 0.82 -0.21 0.00 0.00 178.00 178.49 1kfy h ILE 108 N 0.71 1.31 -1.01 4.15 2.04 -0.50 -2.62 117.51 121.59 1kfy h ILE 108 Ca 0.26 -1.07 0.23 0.00 1.00 0.00 0.00 64.86 65.27 1kfy h ILE 108 Cb 0.07 2.02 -0.11 0.00 -0.74 0.00 0.00 36.82 38.07 1kfy h ILE 108 CO -0.13 0.27 0.62 0.40 0.00 0.00 0.00 178.15 179.32 1kfy h ILE 109 N -0.50 0.60 -0.25 -0.67 2.04 -0.98 -0.12 117.51 117.63 1kfy h ILE 109 Ca -0.00 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 1kfy h ILE 109 Cb 0.47 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1kfy h ILE 109 CO 0.01 0.11 -0.03 0.11 0.00 0.00 0.00 178.15 178.34 1kfy h LYS 110 N 0.58 0.47 -0.02 2.37 1.57 -0.99 -2.84 116.57 117.72 1kfy h LYS 110 Ca 0.59 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 59.22 1kfy h LYS 110 Cb 1.18 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1kfy h LYS 110 CO -0.37 0.67 -0.07 0.77 -0.57 0.00 0.00 179.45 179.88 1kfy h SER 111 N 0.23 -0.20 -0.53 0.86 0.02 -0.67 -0.94 113.55 112.32 1kfy h SER 111 Ca 0.07 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.13 1kfy h SER 111 Cb 0.48 0.09 -0.07 0.00 0.14 0.00 0.00 62.40 63.04 1kfy h SER 111 CO 0.02 -0.10 0.16 -0.07 -1.14 0.00 0.00 176.83 175.70 1kfy h LEU 112 N -0.12 0.13 -1.28 5.07 3.38 -1.33 0.15 115.31 121.31 1kfy h LEU 112 Ca 0.03 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1kfy h LEU 112 Cb 0.16 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1kfy h LEU 112 CO -0.09 0.10 0.03 -0.50 0.09 0.00 0.00 178.44 178.07 1kfy h TRP 113 N 0.33 0.53 -0.01 1.13 4.06 -1.32 0.14 115.95 120.81 1kfy h TRP 113 Ca 0.26 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 61.16 1kfy h TRP 113 Cb 0.31 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 28.32 1kfy h TRP 113 CO -0.19 0.50 0.00 0.00 -3.56 0.00 0.00 178.44 175.20 1kfy h ALA 114 N 1.54 0.02 -0.87 1.49 0.00 0.49 -0.99 119.26 120.93 1kfy h ALA 114 Ca 0.11 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1kfy h ALA 114 Cb 0.28 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1kfy h ALA 114 CO 0.01 -0.38 0.55 0.28 0.00 0.00 0.00 179.25 179.71 1kfy h VAL 115 N -0.18 1.11 -0.66 0.00 2.07 -0.36 -1.68 116.25 116.56 1kfy h VAL 115 Ca 0.00 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1kfy h VAL 115 Cb 0.20 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 1kfy h VAL 115 CO -0.00 0.19 0.35 0.74 0.02 0.00 0.00 177.57 178.87 1kfy h THR 116 N 1.06 1.21 0.08 2.57 2.02 -0.38 -0.96 112.91 118.52 1kfy h THR 116 Ca 0.36 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 67.00 1kfy h THR 116 Cb 0.05 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1kfy h THR 116 CO -0.13 0.24 -0.16 0.58 0.37 0.00 0.00 175.52 176.42 1kfy h VAL 117 N 0.90 0.64 -0.33 3.16 2.07 -0.42 0.51 116.25 122.77 1kfy h VAL 117 Ca 0.23 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.76 1kfy h VAL 117 Cb 0.06 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1kfy h VAL 117 CO -0.03 0.00 0.19 0.58 0.02 0.00 0.00 177.57 178.33 1kfy h VAL 118 N -0.30 1.04 0.17 2.57 2.07 -1.19 -1.51 116.25 119.09 1kfy h VAL 118 Ca 0.03 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1kfy h VAL 118 Cb 0.33 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1kfy h VAL 118 CO -0.09 0.07 -0.20 0.00 0.02 0.00 0.00 177.57 177.37 1kfy h ALA 119 N 1.14 -0.38 -0.82 1.67 0.00 -0.85 0.64 119.26 120.67 1kfy h ALA 119 Ca 0.13 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.15 1kfy h ALA 119 Cb -0.00 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1kfy h ALA 119 CO -0.06 -0.74 0.54 1.15 0.00 0.00 0.00 179.25 180.14 1kfy h THR 120 N -0.41 0.76 0.01 0.00 2.02 0.28 -0.13 112.91 115.43 1kfy h THR 120 Ca 0.01 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1kfy h THR 120 Cb 0.40 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1kfy h THR 120 CO -0.07 0.08 -0.01 0.40 0.37 0.00 0.00 175.52 176.30 1kfy h ILE 121 N 0.44 1.53 -0.95 3.11 2.04 -0.35 -2.54 117.51 120.78 1kfy h ILE 121 Ca 0.41 -1.98 0.08 0.00 1.00 0.00 0.00 64.86 64.38 1kfy h ILE 121 Cb 0.95 2.80 -0.07 0.00 -0.74 0.00 0.00 36.82 39.77 1kfy h ILE 121 CO -0.15 0.49 0.62 0.58 0.00 0.00 0.00 178.15 179.69 1kfy h VAL 122 N -0.91 1.03 -0.39 1.67 2.07 0.80 -0.16 116.25 120.37 1kfy h VAL 122 Ca -0.00 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 67.03 1kfy h VAL 122 Cb 0.81 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1kfy h VAL 122 CO 0.00 0.19 -0.25 0.40 0.02 0.00 0.00 177.57 177.93 1kfy h ILE 123 N 1.05 1.28 -0.39 4.57 2.04 -1.12 -1.80 117.51 123.15 1kfy h ILE 123 Ca 0.43 -1.40 -0.06 0.00 1.00 0.00 0.00 64.86 64.82 1kfy h ILE 123 Cb 0.27 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1kfy h ILE 123 CO -0.18 0.47 -0.03 -0.07 0.00 0.00 0.00 178.15 178.34 1kfy h LEU 124 N 0.66 0.60 0.06 1.44 3.38 -0.94 0.20 115.31 120.71 1kfy h LEU 124 Ca 0.08 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1kfy h LEU 124 Cb 0.82 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1kfy h LEU 124 CO 0.07 0.69 -0.03 0.15 0.09 0.00 0.00 178.44 179.41 1kfy h PHE 125 N 0.60 -0.08 -0.88 1.13 3.57 -0.84 -2.03 116.94 118.41 1kfy h PHE 125 Ca 0.12 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.82 1kfy h PHE 125 Cb 0.42 0.03 -0.16 0.00 2.79 0.00 0.00 35.95 39.02 1kfy h PHE 125 CO 0.02 -0.05 -0.10 0.28 -2.23 0.00 0.00 178.31 176.23 1kfy h VAL 126 N -0.08 0.15 0.00 1.41 2.07 -1.15 0.65 116.25 119.29 1kfy h VAL 126 Ca -0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1kfy h VAL 126 Cb 0.06 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1kfy h VAL 126 CO 0.01 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1kfy n ALA 127 N -3.24 1.87 0.00 1.67 0.00 0.68 -4.16 120.51 117.33 1kfy n ALA 127 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1kfy n ALA 127 Cb 0.53 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1kfy n ALA 127 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1kfy n LEU 128 N -1.68 1.12 0.20 0.00 4.77 0.13 -4.87 117.00 116.68 1kfy n LEU 128 Ca 0.04 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.08 1kfy n LEU 128 Cb 0.24 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.76 1kfy n LEU 128 CO 0.19 0.13 0.76 1.88 -1.33 0.00 0.00 177.39 179.02 1kfy h TYR 129 N 0.00 0.00 -0.02 -1.77 -1.99 -0.12 -3.51 116.97 109.57 1kfy h TYR 129 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1kfy h TYR 129 Cb 0.48 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.21 1kfy h TYR 129 CO 0.00 0.32 0.00 0.91 -0.00 0.00 0.00 178.16 179.39