#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfy s ILE 1 N 0.00 4.44 -0.04 3.17 1.01 -1.26 -5.05 121.20 123.47 1kfy s ILE 1 Ca 0.00 -0.13 -0.40 0.00 0.00 0.00 0.00 60.65 60.12 1kfy s ILE 1 Cb 0.00 -3.06 -0.19 0.00 0.01 0.00 0.00 42.46 39.21 1kfy s ILE 1 CO 0.00 0.36 1.20 -3.20 0.00 0.00 0.00 174.94 173.29 1kfy n ASN 2 N 4.67 0.51 0.04 3.58 2.85 -1.26 -4.90 115.26 120.75 1kfy n ASN 2 Ca -0.16 1.15 0.12 0.00 -0.11 0.00 0.00 54.58 55.59 1kfy n ASN 2 Cb 0.52 -0.97 0.50 0.00 1.24 0.00 0.00 39.78 41.06 1kfy n ASN 2 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1kfy n PRO 3 N 2.08 0.09 -3.02 1.20 -0.04 -1.26 -4.24 135.00 129.82 1kfy n PRO 3 Ca 0.21 0.14 -0.16 0.00 -0.04 0.00 0.00 63.50 63.66 1kfy n PRO 3 Cb 0.09 -1.62 -0.03 0.00 -0.04 0.00 0.00 33.50 31.90 1kfy n PRO 3 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1kfy n ASN 4 N -1.79 -1.68 -4.76 3.54 5.15 -1.26 -5.13 115.26 109.32 1kfy n ASN 4 Ca 0.06 -2.84 -0.33 0.00 -0.60 0.00 0.00 54.58 50.87 1kfy n ASN 4 Cb 0.33 0.62 0.06 0.00 -0.53 0.00 0.00 39.78 40.26 1kfy n ASN 4 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1kfy s PRO 5 N 0.11 2.57 0.13 1.20 0.04 -1.26 -4.97 135.00 132.82 1kfy s PRO 5 Ca 0.33 1.42 -0.31 0.00 0.04 0.00 0.00 61.00 62.48 1kfy s PRO 5 Cb 0.11 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.66 1kfy s PRO 5 CO -0.15 -1.43 1.29 0.21 0.04 0.00 0.00 177.00 176.95 1kfy s LYS 6 N -4.19 4.40 0.74 4.56 2.20 -1.26 -4.98 119.74 121.21 1kfy s LYS 6 Ca 0.67 1.95 -0.15 0.00 -0.36 0.00 0.00 55.97 58.08 1kfy s LYS 6 Cb -0.21 -3.26 0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1kfy s LYS 6 CO 0.44 -0.28 1.24 0.50 -0.36 0.00 0.00 175.35 176.89 1kfy s ARG 7 N 0.58 2.01 0.24 4.03 3.52 -1.26 -5.00 118.95 123.07 1kfy s ARG 7 Ca 0.59 1.89 0.04 0.00 -0.13 0.00 0.00 55.73 58.12 1kfy s ARG 7 Cb -0.34 -1.80 -0.03 0.00 -1.56 0.00 0.00 34.95 31.22 1kfy s ARG 7 CO 0.33 -1.97 0.37 0.45 -0.81 0.00 0.00 175.30 173.67 1kfy s SER 8 N -1.84 6.32 0.00 -2.12 0.15 -1.26 -5.00 113.70 109.95 1kfy s SER 8 Ca 0.77 0.13 0.22 0.00 0.70 0.00 0.00 55.95 57.78 1kfy s SER 8 Cb -0.32 -1.89 0.22 0.00 -1.71 0.00 0.00 66.02 62.31 1kfy s SER 8 CO 0.46 -0.08 1.24 -0.90 1.20 0.00 0.00 173.24 175.16 1kfy n ASP 9 N -1.34 2.96 -0.32 5.45 5.75 -1.26 -4.58 116.55 123.21 1kfy n ASP 9 Ca -0.08 -1.94 0.17 0.00 -0.01 0.00 0.00 54.79 52.92 1kfy n ASP 9 Cb 0.56 -0.04 0.41 0.00 -1.03 0.00 0.00 41.12 41.02 1kfy n ASP 9 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1kfy h GLU 10 N 4.39 0.58 0.00 0.11 4.39 -2.01 -1.97 114.58 120.07 1kfy h GLU 10 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1kfy h GLU 10 Cb 0.94 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1kfy h GLU 10 CO 0.00 0.38 0.14 -0.35 -1.16 0.00 0.00 179.01 178.02 1kfy n PRO 11 N -4.69 0.00 -0.07 2.33 -0.04 -1.26 -0.19 135.00 131.08 1kfy n PRO 11 Ca 0.23 0.28 -0.22 0.00 -0.04 0.00 0.00 63.50 63.76 1kfy n PRO 11 Cb 0.68 -1.64 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 1kfy n PRO 11 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1kfy n VAL 12 N -1.26 1.63 0.08 0.52 0.31 -0.74 -2.58 118.33 116.29 1kfy n VAL 12 Ca 0.00 -0.30 -0.06 0.00 -0.01 0.00 0.00 64.34 63.97 1kfy n VAL 12 Cb 0.14 -1.90 0.08 0.00 -0.91 0.00 0.00 33.84 31.25 1kfy n VAL 12 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1kfy h PHE 13 N -0.58 0.31 -0.54 3.52 0.04 -1.41 -2.47 116.94 115.81 1kfy h PHE 13 Ca -0.40 -0.13 -0.11 0.00 2.80 0.00 0.00 57.97 60.12 1kfy h PHE 13 Cb 1.61 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 39.69 1kfy h PHE 13 CO 0.08 0.84 -0.10 2.35 -0.60 0.00 0.00 178.31 180.87 1kfy h TRP 14 N 0.16 1.13 -0.57 -0.55 7.01 -0.74 0.49 115.95 122.89 1kfy h TRP 14 Ca -0.02 -0.23 -0.00 0.00 2.11 0.00 0.00 58.89 60.75 1kfy h TRP 14 Cb 1.22 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 27.97 1kfy h TRP 14 CO 0.02 1.05 0.34 0.78 -2.79 0.00 0.00 178.44 177.84 1kfy h GLY 15 N 0.94 0.83 0.74 2.65 0.00 -1.36 0.94 103.07 107.82 1kfy h GLY 15 Ca 0.14 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1kfy h GLY 15 CO 0.05 0.34 -0.30 1.41 0.00 0.00 0.00 176.54 178.03 1kfy h LEU 16 N 0.77 -0.72 -1.95 3.11 3.38 -1.16 -2.77 115.31 115.96 1kfy h LEU 16 Ca 0.21 -0.02 0.37 0.00 0.09 0.00 0.00 57.88 58.53 1kfy h LEU 16 Cb -0.01 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 1kfy h LEU 16 CO -0.04 -0.36 0.91 0.15 0.09 0.00 0.00 178.44 179.19 1kfy h PHE 17 N -1.12 0.05 0.38 1.13 3.57 -0.81 0.36 116.94 120.50 1kfy h PHE 17 Ca -0.09 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1kfy h PHE 17 Cb 0.69 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.42 1kfy h PHE 17 CO 0.00 -0.00 -0.18 0.78 -2.23 0.00 0.00 178.31 176.68 1kfy h GLY 18 N 0.02 -0.54 0.27 2.40 0.00 -0.58 0.46 103.07 105.11 1kfy h GLY 18 Ca 0.61 0.20 0.15 0.00 0.00 0.00 0.00 47.33 48.29 1kfy h GLY 18 CO -0.03 -0.20 0.56 0.00 0.00 0.00 0.00 176.54 176.87 1kfy h ALA 19 N -1.62 1.49 0.27 3.60 0.00 -1.00 -0.80 119.26 121.19 1kfy h ALA 19 Ca -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1kfy h ALA 19 Cb 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1kfy h ALA 19 CO 0.09 0.03 -0.13 0.78 0.00 0.00 0.00 179.25 180.01 1kfy h GLY 20 N 0.79 -0.38 0.70 0.00 0.00 -0.24 -1.28 103.07 102.66 1kfy h GLY 20 Ca 0.51 0.14 0.10 0.00 0.00 0.00 0.00 47.33 48.08 1kfy h GLY 20 CO -0.34 -0.14 0.58 -1.33 0.00 0.00 0.00 176.54 175.32 1kfy h GLY 21 N -0.50 1.32 1.37 4.60 0.00 0.99 -1.09 103.07 109.77 1kfy h GLY 21 Ca -0.04 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 1kfy h GLY 21 CO 0.06 0.20 -0.35 1.98 0.00 0.00 0.00 176.54 178.43 1kfy h MET 22 N 0.90 0.70 -0.28 4.80 4.05 -0.98 -0.79 114.93 123.33 1kfy h MET 22 Ca 0.42 -0.34 -0.08 0.00 -0.28 0.00 0.00 59.70 59.42 1kfy h MET 22 Cb 0.42 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 1kfy h MET 22 CO -0.18 0.95 -0.14 2.35 0.23 0.00 0.00 176.91 180.11 1kfy h TRP 23 N 0.58 0.69 0.00 1.39 2.91 -0.29 -2.26 115.95 118.98 1kfy h TRP 23 Ca 0.06 -0.17 0.00 0.00 1.13 0.00 0.00 58.89 59.91 1kfy h TRP 23 Cb 0.88 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.37 1kfy h TRP 23 CO 0.04 0.84 0.00 -1.13 -1.03 0.00 0.00 178.44 177.16 1kfy n SER 24 N -4.42 0.15 0.08 2.65 3.41 -0.50 -1.01 113.62 113.98 1kfy n SER 24 Ca -0.04 0.53 -0.21 0.00 -0.26 0.00 0.00 58.87 58.89 1kfy n SER 24 Cb 0.37 -0.56 -0.15 0.00 -0.26 0.00 0.00 64.21 63.61 1kfy n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kfy h ALA 25 N 2.58 0.14 0.03 7.33 0.00 -0.59 -3.15 119.26 125.60 1kfy h ALA 25 Ca 0.00 -1.09 -0.14 0.00 0.00 0.00 0.00 54.91 53.68 1kfy h ALA 25 Cb 0.35 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1kfy h ALA 25 CO 0.00 1.01 -0.72 0.82 0.00 0.00 0.00 179.25 180.36 1kfy h ILE 26 N 0.10 1.35 0.00 0.00 2.04 -1.27 -3.42 117.51 116.31 1kfy h ILE 26 Ca -0.30 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.25 1kfy h ILE 26 Cb 2.08 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 41.03 1kfy h ILE 26 CO 0.19 0.53 -1.63 -0.38 0.00 0.00 0.00 178.15 176.85 1kfy n ILE 27 N -4.40 0.02 -0.26 -0.67 5.41 -0.18 -4.61 119.36 114.67 1kfy n ILE 27 Ca -0.20 -0.34 -0.06 0.00 1.00 0.00 0.00 62.75 63.15 1kfy n ILE 27 Cb 0.64 0.31 0.05 0.00 -0.71 0.00 0.00 39.64 39.94 1kfy n ILE 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1kfy h ALA 28 N 2.33 0.93 0.39 -1.39 0.00 -1.63 -2.92 119.26 116.97 1kfy h ALA 28 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1kfy h ALA 28 Cb 0.83 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1kfy h ALA 28 CO 0.00 0.50 -0.24 -1.35 0.00 0.00 0.00 179.25 178.15 1kfy h PRO 29 N 1.01 -0.58 -0.80 0.00 0.11 -1.82 -2.01 132.00 127.91 1kfy h PRO 29 Ca 0.25 0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.46 1kfy h PRO 29 Cb 0.13 0.13 -0.06 0.00 0.11 0.00 0.00 31.00 31.31 1kfy h PRO 29 CO -0.03 -0.39 0.48 -0.24 -0.21 0.00 0.00 178.00 177.61 1kfy h VAL 30 N -0.61 0.99 -0.76 3.15 3.04 -1.85 -1.41 116.25 118.81 1kfy h VAL 30 Ca -0.04 -0.29 -0.05 0.00 -1.01 0.00 0.00 66.70 65.31 1kfy h VAL 30 Cb 0.50 0.06 -0.03 0.00 -2.01 0.00 0.00 31.29 29.81 1kfy h VAL 30 CO 0.04 0.16 0.30 0.24 -1.01 0.00 0.00 177.57 177.29 1kfy h MET 31 N 0.85 1.13 -0.11 4.17 2.86 -1.38 -1.33 114.93 121.14 1kfy h MET 31 Ca 0.36 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.70 1kfy h MET 31 Cb 0.22 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1kfy h MET 31 CO -0.19 0.93 -0.33 0.82 1.06 0.00 0.00 176.91 179.19 1kfy h ILE 32 N 1.09 1.27 0.71 -1.22 2.04 -0.81 -1.25 117.51 119.35 1kfy h ILE 32 Ca 0.25 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.77 1kfy h ILE 32 Cb 0.22 1.56 0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1kfy h ILE 32 CO -0.02 0.39 -0.35 0.25 0.00 0.00 0.00 178.15 178.42 1kfy h LEU 33 N 0.18 -0.82 -0.01 1.44 5.85 -0.48 0.21 115.31 121.68 1kfy h LEU 33 Ca 0.02 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1kfy h LEU 33 Cb 0.68 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1kfy h LEU 33 CO 0.05 -0.58 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.41 1kfy h LEU 34 N -0.96 -0.28 0.10 2.25 3.38 -1.15 0.63 115.31 119.28 1kfy h LEU 34 Ca -0.10 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1kfy h LEU 34 Cb 0.74 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1kfy h LEU 34 CO 0.16 -0.08 -0.05 0.58 0.09 0.00 0.00 178.44 179.14 1kfy h VAL 35 N -0.11 1.06 -0.00 1.22 2.07 -1.34 0.24 116.25 119.39 1kfy h VAL 35 Ca 0.00 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1kfy h VAL 35 Cb 0.12 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1kfy h VAL 35 CO -0.06 0.14 -0.05 0.61 0.02 0.00 0.00 177.57 178.23 1kfy n GLY 36 N -0.42 -0.89 1.90 2.17 0.00 0.06 -4.23 105.19 103.78 1kfy n GLY 36 Ca -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1kfy n GLY 36 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1kfy n ILE 37 N -0.87 0.12 0.08 -0.61 5.41 -0.50 -4.81 119.36 118.18 1kfy n ILE 37 Ca 0.18 0.04 -0.12 0.00 1.00 0.00 0.00 62.75 63.85 1kfy n ILE 37 Cb 0.24 -0.59 -0.06 0.00 -0.71 0.00 0.00 39.64 38.52 1kfy n ILE 37 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1kfy h LEU 38 N 0.00 -0.35 0.23 1.39 3.38 -0.71 -2.62 115.31 116.63 1kfy h LEU 38 Ca 0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1kfy h LEU 38 Cb 0.00 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1kfy h LEU 38 CO 0.00 -0.19 -0.28 0.25 0.09 0.00 0.00 178.44 178.31 1kfy h LEU 39 N -0.25 -0.78 0.00 1.67 5.85 -0.72 -1.16 115.31 119.92 1kfy h LEU 39 Ca 0.02 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1kfy h LEU 39 Cb 0.27 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1kfy h LEU 39 CO -0.08 -0.35 0.00 -0.81 -0.34 0.00 0.00 178.44 176.86 1kfy n PRO 40 N -4.04 0.40 -0.03 5.25 -0.04 -1.24 -1.78 135.00 133.52 1kfy n PRO 40 Ca -0.06 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.42 1kfy n PRO 40 Cb 0.25 -1.18 0.02 0.00 -0.04 0.00 0.00 33.50 32.55 1kfy n PRO 40 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1kfy n LEU 41 N -0.68 1.74 0.00 1.53 4.77 -0.67 -4.96 117.00 118.74 1kfy n LEU 41 Ca 0.03 -1.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.11 1kfy n LEU 41 Cb 0.02 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1kfy n LEU 41 CO 0.03 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1kfy n GLY 42 N -0.59 0.01 2.55 -0.72 0.00 -0.60 -4.81 105.19 101.03 1kfy n GLY 42 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1kfy n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kfy n LEU 43 N 0.00 2.81 -3.82 0.99 4.77 -0.54 -4.73 117.00 116.47 1kfy n LEU 43 Ca 0.00 -1.97 -0.12 0.00 -0.03 0.00 0.00 56.01 53.89 1kfy n LEU 43 Cb 0.25 -0.75 -0.09 0.00 -2.33 0.00 0.00 43.42 40.49 1kfy n LEU 43 CO 0.00 0.17 -0.08 0.72 -1.33 0.00 0.00 177.39 176.87 1kfy s PHE 44 N 3.19 -0.07 0.24 -1.77 -0.12 -1.26 -4.85 117.98 113.34 1kfy s PHE 44 Ca 0.27 0.06 -0.30 0.00 -0.05 0.00 0.00 56.93 56.90 1kfy s PHE 44 Cb 0.09 0.02 -0.10 0.00 -0.63 0.00 0.00 43.02 42.41 1kfy s PHE 44 CO -0.01 -0.34 1.37 -1.25 -0.05 0.00 0.00 175.22 174.94 1kfy s PRO 45 N -1.37 4.33 1.83 1.99 0.04 -1.26 -4.83 135.00 135.73 1kfy s PRO 45 Ca -0.14 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1kfy s PRO 45 Cb -0.06 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1kfy s PRO 45 CO 0.03 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1kfy n GLY 46 N 2.12 2.64 1.65 0.56 0.00 -1.26 -1.61 105.19 109.29 1kfy n GLY 46 Ca 0.06 0.26 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 1kfy n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kfy n ASP 47 N 3.42 3.11 -0.22 1.61 8.00 -1.26 -4.77 116.55 126.43 1kfy n ASP 47 Ca 0.00 -3.72 -0.02 0.00 0.71 0.00 0.00 54.79 51.76 1kfy n ASP 47 Cb 0.00 -0.73 0.09 0.00 -0.02 0.00 0.00 41.12 40.46 1kfy n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kfy h ALA 48 N 1.03 0.86 -0.93 2.24 0.00 -1.63 -2.73 119.26 118.10 1kfy h ALA 48 Ca 0.41 0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.69 1kfy h ALA 48 Cb 2.16 -0.13 -0.34 0.00 0.00 0.00 0.00 17.79 19.48 1kfy h ALA 48 CO 0.72 0.05 0.26 1.28 0.00 0.00 0.00 179.25 181.56 1kfy n LEU 49 N -4.78 6.66 -4.88 0.00 4.77 -1.26 -4.60 117.00 112.91 1kfy n LEU 49 Ca 0.08 -4.51 -0.32 0.00 -0.03 0.00 0.00 56.01 51.23 1kfy n LEU 49 Cb 0.16 -0.75 -0.05 0.00 -2.33 0.00 0.00 43.42 40.44 1kfy n LEU 49 CO 0.30 1.73 0.14 -0.94 -1.33 0.00 0.00 177.39 177.28 1kfy s SER 50 N -2.44 6.57 0.12 -1.43 1.04 -1.03 -4.85 113.70 111.68 1kfy s SER 50 Ca 0.59 0.79 -0.22 0.00 0.48 0.00 0.00 55.95 57.59 1kfy s SER 50 Cb 0.47 -2.17 -0.03 0.00 0.10 0.00 0.00 66.02 64.39 1kfy s SER 50 CO -0.02 -0.02 1.14 0.00 0.98 0.00 0.00 173.24 175.32 1kfy n TYR 51 N -0.03 -0.29 -0.26 5.02 9.36 -1.26 -0.18 117.16 129.53 1kfy n TYR 51 Ca -0.01 0.92 0.05 0.00 3.32 0.00 0.00 57.90 62.18 1kfy n TYR 51 Cb 0.52 -0.58 0.18 0.00 -0.63 0.00 0.00 39.34 38.83 1kfy n TYR 51 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1kfy h GLU 52 N 0.00 0.46 -0.22 2.98 3.07 -1.94 -0.40 114.58 118.54 1kfy h GLU 52 Ca 0.13 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.86 1kfy h GLU 52 Cb 0.32 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1kfy h GLU 52 CO -0.70 0.31 -0.27 -0.09 -1.40 0.00 0.00 179.01 176.86 1kfy h ARG 53 N 0.48 0.57 -0.57 2.33 2.43 -0.85 -0.33 114.38 118.44 1kfy h ARG 53 Ca 0.40 -0.32 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1kfy h ARG 53 Cb 0.58 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1kfy h ARG 53 CO -0.38 0.91 0.22 0.28 -1.51 0.00 0.00 179.97 179.50 1kfy h VAL 54 N 0.25 1.22 -0.52 0.20 2.07 -0.61 -1.79 116.25 117.07 1kfy h VAL 54 Ca 0.03 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 1kfy h VAL 54 Cb 0.83 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1kfy h VAL 54 CO 0.06 0.27 0.12 0.25 0.02 0.00 0.00 177.57 178.29 1kfy h LEU 55 N 0.78 0.80 -0.82 2.57 5.85 -1.08 0.38 115.31 123.78 1kfy h LEU 55 Ca 0.19 -0.24 0.11 0.00 0.84 0.00 0.00 57.88 58.78 1kfy h LEU 55 Cb 0.20 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.94 1kfy h LEU 55 CO -0.02 0.83 0.45 0.00 -0.34 0.00 0.00 178.44 179.36 1kfy h ALA 56 N 1.00 1.19 0.18 1.25 0.00 -0.65 -0.09 119.26 122.13 1kfy h ALA 56 Ca 0.16 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1kfy h ALA 56 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1kfy h ALA 56 CO 0.00 0.02 -0.09 0.35 0.00 0.00 0.00 179.25 179.54 1kfy h PHE 57 N 0.72 -0.23 -0.75 0.00 3.57 -0.84 -3.12 116.94 116.30 1kfy h PHE 57 Ca 0.41 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 62.10 1kfy h PHE 57 Cb 0.46 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1kfy h PHE 57 CO -0.08 0.19 0.52 0.00 -2.23 0.00 0.00 178.31 176.71 1kfy h ALA 58 N -0.37 2.49 0.00 2.41 0.00 0.03 0.29 119.26 124.12 1kfy h ALA 58 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1kfy h ALA 58 Cb 0.51 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1kfy h ALA 58 CO 0.04 -0.71 -0.16 1.04 0.00 0.00 0.00 179.25 179.46 1kfy n GLN 59 N -4.38 0.07 -2.41 0.00 6.02 -0.07 -3.46 117.38 113.14 1kfy n GLN 59 Ca 0.15 0.04 -0.33 0.00 -0.01 0.00 0.00 57.00 56.86 1kfy n GLN 59 Cb 0.72 -1.57 -0.03 0.00 1.02 0.00 0.00 30.24 30.38 1kfy n GLN 59 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1kfy s SER 60 N -3.37 6.42 0.10 1.08 1.04 0.09 -4.88 113.70 114.19 1kfy s SER 60 Ca 0.12 1.71 -0.32 0.00 0.48 0.00 0.00 55.95 57.95 1kfy s SER 60 Cb 0.17 -2.53 -0.12 0.00 0.10 0.00 0.00 66.02 63.64 1kfy s SER 60 CO 0.59 -0.73 1.59 0.15 0.98 0.00 0.00 173.24 175.82 1kfy h PHE 61 N 1.08 -1.19 -0.62 5.02 3.57 -1.89 0.48 116.94 123.39 1kfy h PHE 61 Ca -0.48 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.12 1kfy h PHE 61 Cb 1.20 0.49 -0.06 0.00 2.79 0.00 0.00 35.95 40.37 1kfy h PHE 61 CO 0.61 -0.55 0.30 0.97 -2.23 0.00 0.00 178.31 177.41 1kfy h ILE 62 N -0.74 0.88 -0.84 1.41 2.10 -1.94 -0.88 117.51 117.50 1kfy h ILE 62 Ca -0.00 -0.19 0.04 0.00 1.08 0.00 0.00 64.86 65.79 1kfy h ILE 62 Cb 0.72 0.29 -0.05 0.00 -1.09 0.00 0.00 36.82 36.69 1kfy h ILE 62 CO -0.18 0.10 0.55 1.23 -1.08 0.00 0.00 178.15 178.77 1kfy h GLY 63 N 0.54 1.19 0.81 8.18 0.00 -1.50 0.70 103.07 113.00 1kfy h GLY 63 Ca 0.30 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1kfy h GLY 63 CO -0.23 0.33 -0.01 3.21 0.00 0.00 0.00 176.54 179.84 1kfy h ARG 64 N 1.01 -0.03 -0.29 4.80 3.08 0.36 0.00 114.38 123.32 1kfy h ARG 64 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1kfy h ARG 64 Cb 0.09 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1kfy h ARG 64 CO -0.11 0.16 0.18 0.28 -1.07 0.00 0.00 179.97 179.42 1kfy h VAL 65 N -0.22 1.08 -0.19 2.04 2.07 -0.78 -2.16 116.25 118.10 1kfy h VAL 65 Ca -0.00 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1kfy h VAL 65 Cb 0.20 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1kfy h VAL 65 CO 0.01 0.08 0.11 0.15 0.02 0.00 0.00 177.57 177.94 1kfy h PHE 66 N 0.38 0.26 -0.78 1.57 3.57 -0.80 -1.97 116.94 119.17 1kfy h PHE 66 Ca 0.10 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1kfy h PHE 66 Cb -0.03 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 1kfy h PHE 66 CO -0.05 0.22 0.51 -0.07 -2.23 0.00 0.00 178.31 176.69 1kfy h LEU 67 N 0.22 0.84 0.40 0.59 -0.00 -0.94 0.26 115.31 116.69 1kfy h LEU 67 Ca 0.07 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.92 1kfy h LEU 67 Cb 0.04 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 1kfy h LEU 67 CO -0.01 0.59 -0.19 0.15 -0.00 0.00 0.00 178.44 178.97 1kfy h PHE 68 N 0.98 -0.50 -0.81 1.13 3.57 -1.09 -2.46 116.94 117.76 1kfy h PHE 68 Ca 0.30 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.91 1kfy h PHE 68 Cb 0.00 0.16 -0.08 0.00 2.79 0.00 0.00 35.95 38.83 1kfy h PHE 68 CO -0.00 -0.31 0.43 -0.07 -2.23 0.00 0.00 178.31 176.13 1kfy h LEU 69 N -0.57 0.56 -2.50 0.59 3.38 -1.35 0.13 115.31 115.54 1kfy h LEU 69 Ca -0.05 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1kfy h LEU 69 Cb 0.41 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1kfy h LEU 69 CO 0.09 0.28 -0.02 -0.03 0.09 0.00 0.00 178.44 178.85 1kfy h MET 70 N 0.67 0.00 0.00 1.13 4.05 -0.92 -1.47 114.93 118.39 1kfy h MET 70 Ca 0.41 0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 59.46 1kfy h MET 70 Cb 0.49 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.23 1kfy h MET 70 CO -0.30 0.02 -2.08 -0.89 0.23 0.00 0.00 176.91 173.89 1kfy n ILE 71 N -3.38 1.53 0.17 1.77 5.41 -0.28 -4.56 119.36 120.02 1kfy n ILE 71 Ca -0.02 -0.25 -0.12 0.00 1.00 0.00 0.00 62.75 63.35 1kfy n ILE 71 Cb 0.13 -1.95 -0.07 0.00 -0.71 0.00 0.00 39.64 37.04 1kfy n ILE 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1kfy h VAL 72 N -1.00 0.47 -0.48 1.39 2.07 -0.74 -3.19 116.25 114.77 1kfy h VAL 72 Ca -0.57 -0.67 0.09 0.00 0.82 0.00 0.00 66.70 66.38 1kfy h VAL 72 Cb 1.49 0.73 -0.10 0.00 -1.52 0.00 0.00 31.29 31.88 1kfy h VAL 72 CO -0.34 0.10 -0.30 -0.07 0.02 0.00 0.00 177.57 176.98 1kfy h LEU 73 N -0.94 -1.00 -1.20 2.57 3.38 -1.48 0.15 115.31 116.79 1kfy h LEU 73 Ca -0.05 0.20 0.15 0.00 0.09 0.00 0.00 57.88 58.27 1kfy h LEU 73 Cb 0.53 0.50 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 1kfy h LEU 73 CO 0.08 -0.29 0.60 -0.65 0.09 0.00 0.00 178.44 178.27 1kfy h PRO 74 N -0.19 0.72 0.37 1.13 0.11 -1.73 -2.35 132.00 130.07 1kfy h PRO 74 Ca 0.21 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1kfy h PRO 74 Cb 0.52 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 1kfy h PRO 74 CO -0.58 0.48 -0.32 -0.07 -0.21 0.00 0.00 178.00 177.29 1kfy h LEU 75 N 0.74 -0.86 -2.02 2.35 3.38 -0.72 0.38 115.31 118.56 1kfy h LEU 75 Ca 0.49 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.67 1kfy h LEU 75 Cb 0.75 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1kfy h LEU 75 CO -0.25 -0.47 0.40 -0.50 0.09 0.00 0.00 178.44 177.71 1kfy h TRP 76 N -0.71 0.00 0.00 1.13 4.06 -0.86 0.24 115.95 119.81 1kfy h TRP 76 Ca -0.03 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.88 1kfy h TRP 76 Cb 0.63 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.78 1kfy h TRP 76 CO -0.17 0.00 -0.23 0.00 -3.56 0.00 0.00 178.44 174.48 1kfy h GLY 78 N -1.00 1.01 1.59 0.00 0.00 0.49 -1.89 103.07 103.26 1kfy h GLY 78 Ca -0.06 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 1kfy h GLY 78 CO -0.04 0.53 -0.35 1.41 0.00 0.00 0.00 176.54 178.10 1kfy h LEU 79 N 0.87 0.48 -0.23 3.11 3.38 -0.74 -1.10 115.31 121.09 1kfy h LEU 79 Ca 0.20 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1kfy h LEU 79 Cb 0.23 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1kfy h LEU 79 CO -0.01 0.80 0.06 -0.74 0.09 0.00 0.00 178.44 178.64 1kfy h HIS 80 N 0.40 0.11 -0.47 1.13 2.76 -1.48 0.56 115.15 118.15 1kfy h HIS 80 Ca 0.04 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 1kfy h HIS 80 Cb 0.80 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.72 1kfy h HIS 80 CO 0.03 0.05 0.24 0.00 -1.30 0.00 0.00 177.93 176.94 1kfy h ARG 81 N 0.16 0.67 -0.62 5.26 3.08 -0.87 -2.52 114.38 119.55 1kfy h ARG 81 Ca 0.10 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1kfy h ARG 81 Cb 0.08 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1kfy h ARG 81 CO -0.12 0.55 0.32 0.52 -1.07 0.00 0.00 179.97 180.17 1kfy h MET 82 N 0.62 0.86 0.18 0.04 2.86 -0.71 0.13 114.93 118.91 1kfy h MET 82 Ca 0.16 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1kfy h MET 82 Cb 0.09 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 1kfy h MET 82 CO -0.02 0.65 -0.37 1.25 1.06 0.00 0.00 176.91 179.48 1kfy h HIS 83 N 0.86 -1.01 0.00 -0.22 -0.00 -0.49 -1.32 115.15 112.97 1kfy h HIS 83 Ca 0.22 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.56 1kfy h HIS 83 Cb 0.05 0.42 -0.01 0.00 -0.00 0.00 0.00 27.41 27.88 1kfy h HIS 83 CO 0.01 -0.48 -0.23 0.45 -0.00 0.00 0.00 177.93 177.67 1kfy h HIS 84 N -0.64 0.00 -0.43 5.26 -0.00 -1.02 -1.90 115.15 116.42 1kfy h HIS 84 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.35 1kfy h HIS 84 Cb 0.64 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.03 1kfy h HIS 84 CO -0.30 0.23 0.14 0.00 -0.00 0.00 0.00 177.93 178.01 1kfy h ALA 85 N 1.77 1.44 -0.40 2.45 0.00 0.18 -1.52 119.26 123.18 1kfy h ALA 85 Ca -0.00 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1kfy h ALA 85 Cb 0.50 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1kfy h ALA 85 CO 0.03 0.42 0.10 0.52 0.00 0.00 0.00 179.25 180.32 1kfy h MET 86 N 0.61 0.23 0.04 0.00 2.86 -0.42 0.26 114.93 118.51 1kfy h MET 86 Ca 0.15 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1kfy h MET 86 Cb 0.18 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1kfy h MET 86 CO -0.01 0.15 -0.02 1.25 1.06 0.00 0.00 176.91 179.35 1kfy h HIS 87 N 0.24 -0.05 -0.90 -0.22 6.17 -1.42 0.13 115.15 119.09 1kfy h HIS 87 Ca 0.19 -0.00 0.18 0.00 0.71 0.00 0.00 60.37 61.45 1kfy h HIS 87 Cb 0.21 0.02 -0.07 0.00 2.52 0.00 0.00 27.41 30.08 1kfy h HIS 87 CO -0.18 0.24 0.59 -0.44 0.71 0.00 0.00 177.93 178.85 1kfy h ASP 88 N -0.35 0.54 0.55 3.26 3.32 -0.98 0.40 116.42 123.17 1kfy h ASP 88 Ca -0.01 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1kfy h ASP 88 Cb 0.32 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1kfy h ASP 88 CO 0.01 0.24 -0.31 0.18 -1.72 0.00 0.00 179.24 177.64 1kfy n LEU 89 N -4.56 0.45 -2.92 1.55 4.77 0.05 -4.96 117.00 111.39 1kfy n LEU 89 Ca 0.19 0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1kfy n LEU 89 Cb 0.59 -0.28 0.07 0.00 -2.33 0.00 0.00 43.42 41.47 1kfy n LEU 89 CO 0.29 0.10 0.08 0.29 -1.33 0.00 0.00 177.39 176.82 1kfy n LYS 90 N -1.32 -4.60 -3.95 3.23 5.02 0.14 -5.01 118.16 111.67 1kfy n LYS 90 Ca 0.08 0.68 -0.35 0.00 -2.02 0.00 0.00 58.31 56.70 1kfy n LYS 90 Cb 0.33 -5.13 -0.14 0.00 -0.02 0.00 0.00 35.03 30.07 1kfy n LYS 90 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1kfy s ILE 91 N -3.29 3.01 -0.16 -0.18 1.01 0.33 -5.03 121.20 116.89 1kfy s ILE 91 Ca 0.07 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 59.64 1kfy s ILE 91 Cb -0.01 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 1kfy s ILE 91 CO 0.58 0.33 1.30 -1.00 0.00 0.00 0.00 174.94 176.15 1kfy s HIS 92 N 1.39 2.75 -0.33 3.97 3.76 -1.26 -4.50 115.29 121.06 1kfy s HIS 92 Ca 0.03 0.92 0.01 0.00 -0.15 0.00 0.00 55.06 55.88 1kfy s HIS 92 Cb -0.15 -3.57 0.10 0.00 1.11 0.00 0.00 32.58 30.08 1kfy s HIS 92 CO -0.05 -1.92 0.09 0.08 -0.85 0.00 0.00 174.74 172.10 1kfy s VAL 93 N 3.61 1.51 -0.09 -0.90 1.01 -1.26 -5.10 120.40 119.18 1kfy s VAL 93 Ca 0.57 -1.89 -0.39 0.00 0.00 0.00 0.00 61.98 60.26 1kfy s VAL 93 Cb -0.23 -2.12 -0.17 0.00 0.00 0.00 0.00 36.38 33.86 1kfy s VAL 93 CO 0.16 -0.66 1.44 -0.81 0.00 0.00 0.00 175.10 175.23 1kfy n PRO 94 N 4.49 0.87 -2.89 2.72 -0.04 -1.26 0.31 135.00 139.21 1kfy n PRO 94 Ca 0.01 0.32 -0.21 0.00 -0.04 0.00 0.00 63.50 63.58 1kfy n PRO 94 Cb 0.41 -1.94 0.01 0.00 -0.04 0.00 0.00 33.50 31.95 1kfy n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kfy n ALA 95 N 3.34 -0.90 -0.36 0.55 0.00 -1.26 -4.76 120.51 117.12 1kfy n ALA 95 Ca 0.22 0.21 -0.02 0.00 0.00 0.00 0.00 53.44 53.85 1kfy n ALA 95 Cb 0.13 -3.07 0.02 0.00 0.00 0.00 0.00 19.45 16.54 1kfy n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfy n GLY 96 N -1.27 -1.98 0.23 0.00 0.00 0.15 -0.43 105.19 101.88 1kfy n GLY 96 Ca -0.13 1.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.89 1kfy n GLY 96 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1kfy h LYS 97 N 0.00 -0.08 -0.72 1.61 3.64 -1.88 -0.09 116.57 119.05 1kfy h LYS 97 Ca 0.30 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 1kfy h LYS 97 Cb 0.53 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1kfy h LYS 97 CO -0.92 -0.05 0.30 -1.49 -2.27 0.00 0.00 179.45 175.02 1kfy h TRP 98 N -0.08 1.09 0.00 1.91 4.06 -1.11 -1.04 115.95 120.78 1kfy h TRP 98 Ca 0.20 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 61.08 1kfy h TRP 98 Cb 0.39 -0.33 0.00 0.00 -1.00 0.00 0.00 29.16 28.23 1kfy h TRP 98 CO -0.42 0.83 0.00 0.28 -3.56 0.00 0.00 178.44 175.57 1kfy n VAL 99 N -4.36 0.00 0.14 1.49 0.31 0.25 -0.34 118.33 115.81 1kfy n VAL 99 Ca 0.06 1.47 -0.13 0.00 -0.01 0.00 0.00 64.34 65.72 1kfy n VAL 99 Cb 0.17 -2.35 -0.07 0.00 -0.91 0.00 0.00 33.84 30.68 1kfy n VAL 99 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1kfy h PHE 100 N 0.00 -0.37 0.00 3.52 -1.00 -1.17 0.16 116.94 118.08 1kfy h PHE 100 Ca 0.00 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1kfy h PHE 100 Cb 0.00 0.14 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 1kfy h PHE 100 CO -0.04 -0.22 -0.13 1.88 -1.61 0.00 0.00 178.31 178.19 1kfy h TYR 101 N -0.34 0.00 0.19 -0.55 0.99 -1.28 -2.29 116.97 113.68 1kfy h TYR 101 Ca -0.01 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1kfy h TYR 101 Cb 0.30 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.03 1kfy h TYR 101 CO -0.11 0.13 -0.09 0.78 -0.00 0.00 0.00 178.16 178.87 1kfy h GLY 102 N 1.95 -0.26 -0.21 3.88 0.00 -0.17 -0.86 103.07 107.40 1kfy h GLY 102 Ca -0.00 0.10 0.18 0.00 0.00 0.00 0.00 47.33 47.61 1kfy h GLY 102 CO 0.02 -0.09 0.18 -2.00 0.00 0.00 0.00 176.54 174.64 1kfy h LEU 103 N -0.79 -0.03 0.29 3.11 5.85 -0.57 0.22 115.31 123.38 1kfy h LEU 103 Ca -0.03 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1kfy h LEU 103 Cb 0.52 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1kfy h LEU 103 CO 0.04 -0.08 -0.30 0.00 -0.34 0.00 0.00 178.44 177.75 1kfy h ALA 104 N 1.67 -0.63 -0.57 1.25 0.00 -1.28 -0.10 119.26 119.59 1kfy h ALA 104 Ca 0.45 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1kfy h ALA 104 Cb 0.82 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1kfy h ALA 104 CO -0.57 -0.89 0.30 0.00 0.00 0.00 0.00 179.25 178.10 1kfy h ALA 105 N -0.06 0.74 0.59 0.00 0.00 0.46 0.20 119.26 121.19 1kfy h ALA 105 Ca -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1kfy h ALA 105 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1kfy h ALA 105 CO -0.07 -0.03 -0.47 0.82 0.00 0.00 0.00 179.25 179.51 1kfy h ILE 106 N 0.58 0.00 -0.93 0.00 2.04 -0.27 0.76 117.51 119.69 1kfy h ILE 106 Ca 0.25 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.24 1kfy h ILE 106 Cb 0.14 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.14 1kfy h ILE 106 CO -0.16 0.00 0.59 -0.07 0.00 0.00 0.00 178.15 178.52 1kfy h LEU 107 N -1.02 0.77 0.12 1.44 3.38 -0.86 0.19 115.31 119.33 1kfy h LEU 107 Ca -0.08 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1kfy h LEU 107 Cb 0.85 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1kfy h LEU 107 CO 0.01 0.40 -0.18 0.74 0.09 0.00 0.00 178.44 179.51 1kfy h THR 108 N 0.82 0.59 0.43 0.22 2.02 0.12 0.34 112.91 117.45 1kfy h THR 108 Ca 0.46 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.63 1kfy h THR 108 Cb 0.60 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1kfy h THR 108 CO -0.23 0.00 -0.42 0.58 0.37 0.00 0.00 175.52 175.82 1kfy h VAL 109 N -0.36 0.15 -0.92 3.16 2.07 0.70 0.41 116.25 121.48 1kfy h VAL 109 Ca 0.02 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.68 1kfy h VAL 109 Cb 0.37 0.15 -0.15 0.00 -1.52 0.00 0.00 31.29 30.14 1kfy h VAL 109 CO -0.09 0.00 -0.38 0.58 0.02 0.00 0.00 177.57 177.70 1kfy h VAL 110 N -0.87 0.03 -0.91 2.57 2.07 -0.36 1.23 116.25 120.02 1kfy h VAL 110 Ca -0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1kfy h VAL 110 Cb 0.76 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1kfy h VAL 110 CO -0.06 0.00 0.58 0.74 0.02 0.00 0.00 177.57 178.85 1kfy h THR 111 N -0.03 1.12 -0.44 2.57 2.02 0.58 -1.38 112.91 117.36 1kfy h THR 111 Ca 0.32 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1kfy h THR 111 Cb 0.59 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1kfy h THR 111 CO -0.93 0.20 0.26 0.25 0.37 0.00 0.00 175.52 175.67 1kfy h LEU 112 N 1.11 0.41 -0.12 2.58 5.85 0.59 -0.62 115.31 125.11 1kfy h LEU 112 Ca 0.37 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.11 1kfy h LEU 112 Cb 0.06 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1kfy h LEU 112 CO -0.14 0.29 0.02 0.40 -0.34 0.00 0.00 178.44 178.68 1kfy h ILE 113 N 0.51 0.95 -0.81 4.05 2.04 -0.28 -1.53 117.51 122.45 1kfy h ILE 113 Ca 0.17 -0.02 0.15 0.00 1.00 0.00 0.00 64.86 66.16 1kfy h ILE 113 Cb 0.02 0.87 -0.09 0.00 -0.74 0.00 0.00 36.82 36.87 1kfy h ILE 113 CO -0.08 0.01 0.38 1.23 0.00 0.00 0.00 178.15 179.69 1kfy h GLY 114 N 0.07 1.28 1.62 5.37 0.00 -0.64 -1.60 103.07 109.17 1kfy h GLY 114 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1kfy h GLY 114 CO -0.07 -0.07 -0.23 3.33 0.00 0.00 0.00 176.54 179.50 1kfy n VAL 115 N -4.93 0.20 0.96 4.60 0.24 -0.30 -2.20 118.33 116.89 1kfy n VAL 115 Ca 0.16 -0.12 0.10 0.00 -2.04 0.00 0.00 64.34 62.44 1kfy n VAL 115 Cb 0.43 -0.28 0.30 0.00 -1.47 0.00 0.00 33.84 32.82 1kfy n VAL 115 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1kfy n VAL 116 N -1.79 0.34 -1.16 3.34 0.24 -0.60 -4.92 118.33 113.79 1kfy n VAL 116 Ca 0.06 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1kfy n VAL 116 Cb 0.38 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 1kfy n VAL 116 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1kfy n THR 117 N 0.59 -6.22 0.37 3.34 -2.24 -0.71 -5.06 114.28 104.35 1kfy n THR 117 Ca 0.16 1.23 0.03 0.00 -2.27 0.00 0.00 64.05 63.20 1kfy n THR 117 Cb 0.37 -3.47 0.18 0.00 -2.10 0.00 0.00 70.33 65.31 1kfy n THR 117 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12