#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyi h ASP 9 N 0.00 0.84 0.29 6.12 5.19 -2.05 -3.02 116.42 123.79 3kyi h ASP 9 Ca 0.00 -0.26 -0.18 0.00 -0.62 0.00 0.00 57.03 55.98 3kyi h ASP 9 Cb 0.00 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.28 3kyi h ASP 9 CO 0.00 0.97 -0.71 -0.08 -3.12 0.00 0.00 179.24 176.30 3kyi h GLU 10 N 0.77 0.36 -0.64 3.56 4.81 -2.05 -2.87 114.58 118.52 3kyi h GLU 10 Ca 0.13 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 3kyi h GLU 10 Cb 0.60 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 3kyi h GLU 10 CO 0.04 0.93 0.31 0.97 -0.73 0.00 0.00 179.01 180.53 3kyi h ILE 11 N 0.25 1.22 -0.04 2.32 2.10 -1.97 -0.81 117.51 120.57 3kyi h ILE 11 Ca -0.02 -0.60 -0.17 0.00 1.08 0.00 0.00 64.86 65.15 3kyi h ILE 11 Cb 1.27 0.44 -0.01 0.00 -1.09 0.00 0.00 36.82 37.43 3kyi h ILE 11 CO 0.12 0.25 -0.71 -0.50 -1.08 0.00 0.00 178.15 176.23 3kyi h TRP 12 N 0.87 0.32 -0.41 2.19 4.06 -1.59 -1.68 115.95 119.72 3kyi h TRP 12 Ca 0.22 -0.14 -0.12 0.00 2.06 0.00 0.00 58.89 60.91 3kyi h TRP 12 Cb 0.11 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.20 3kyi h TRP 12 CO 0.00 0.87 -0.21 0.00 -3.56 0.00 0.00 178.44 175.54 3kyi h ALA 13 N 1.09 0.86 -0.12 1.49 0.00 -1.31 -1.81 119.26 119.47 3kyi h ALA 13 Ca -0.02 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 3kyi h ALA 13 Cb 1.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3kyi h ALA 13 CO 0.11 0.63 -0.59 -0.07 0.00 0.00 0.00 179.25 179.33 3kyi h LEU 14 N 0.71 0.46 -0.67 0.00 4.07 -1.04 -2.02 115.31 116.81 3kyi h LEU 14 Ca 0.10 -0.26 -0.08 0.00 0.08 0.00 0.00 57.88 57.72 3kyi h LEU 14 Cb 0.73 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 3kyi h LEU 14 CO 0.06 0.95 0.10 0.22 -1.08 0.00 0.00 178.44 178.69 3kyi h TYR 15 N 0.31 1.19 -0.31 1.13 3.20 -1.06 0.13 116.97 121.54 3kyi h TYR 15 Ca -0.00 -0.17 -0.15 0.00 3.14 0.00 0.00 58.73 61.55 3kyi h TYR 15 Cb 1.12 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 3kyi h TYR 15 CO 0.04 1.00 -0.39 0.00 -1.64 0.00 0.00 178.16 177.16 3kyi h ALA 16 N 1.05 0.72 0.46 1.82 0.00 -1.26 -0.97 119.26 121.09 3kyi h ALA 16 Ca 0.20 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3kyi h ALA 16 Cb 0.45 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kyi h ALA 16 CO 0.01 0.66 -0.22 0.22 0.00 0.00 0.00 179.25 179.92 3kyi h ASP 17 N 0.62 -0.53 -0.83 0.00 3.58 -1.14 -2.60 116.42 115.52 3kyi h ASP 17 Ca 0.05 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.53 3kyi h ASP 17 Cb 0.94 0.14 -0.04 0.00 1.72 0.00 0.00 39.33 42.08 3kyi h ASP 17 CO 0.09 -0.10 0.55 0.44 -2.88 0.00 0.00 179.24 177.33 3kyi h ASP 18 N -1.16 0.94 -0.55 2.28 3.45 -0.86 -0.98 116.42 119.54 3kyi h ASP 18 Ca -0.06 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.37 3kyi h ASP 18 Cb 0.48 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 39.00 3kyi h ASP 18 CO 0.10 0.67 0.33 1.23 -1.57 0.00 0.00 179.24 180.01 3kyi h GLY 19 N 1.10 0.80 0.87 2.75 0.00 -1.27 -0.93 103.07 106.39 3kyi h GLY 19 Ca 0.31 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 3kyi h GLY 19 CO -0.07 0.32 -0.10 0.00 0.00 0.00 0.00 176.54 176.69 3kyi h ALA 20 N 1.16 0.37 -0.53 3.60 0.00 -1.02 -0.94 119.26 121.91 3kyi h ALA 20 Ca 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3kyi h ALA 20 Cb -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3kyi h ALA 20 CO -0.04 0.21 0.31 1.96 0.00 0.00 0.00 179.25 181.69 3kyi h GLN 21 N 0.28 0.72 0.09 0.00 4.20 -1.04 0.18 115.11 119.54 3kyi h GLN 21 Ca 0.06 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 58.51 3kyi h GLN 21 Cb 0.59 -0.15 0.02 0.00 0.30 0.00 0.00 27.48 28.24 3kyi h GLN 21 CO 0.03 0.51 -0.86 0.00 -0.67 0.00 0.00 178.83 177.85 3kyi h ALA 22 N 1.61 -0.02 -0.33 3.87 0.00 -1.12 -3.03 119.26 120.25 3kyi h ALA 22 Ca 0.19 -0.67 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 3kyi h ALA 22 Cb -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3kyi h ALA 22 CO -0.03 0.45 -0.34 -0.07 0.00 0.00 0.00 179.25 179.25 3kyi h LEU 23 N -0.12 0.77 -0.68 0.00 3.38 -0.94 -0.03 115.31 117.69 3kyi h LEU 23 Ca -0.13 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 3kyi h LEU 23 Cb 1.61 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 3kyi h LEU 23 CO 0.16 1.04 0.13 0.44 0.09 0.00 0.00 178.44 180.31 3kyi h ASP 24 N 0.61 1.07 -0.04 -0.43 3.32 -0.76 0.60 116.42 120.80 3kyi h ASP 24 Ca 0.06 -0.25 -0.13 0.00 0.02 0.00 0.00 57.03 56.73 3kyi h ASP 24 Cb 0.87 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3kyi h ASP 24 CO 0.08 1.05 -0.41 0.00 -1.72 0.00 0.00 179.24 178.24 3kyi h ALA 25 N 1.06 0.85 -0.32 3.45 0.00 -1.41 -0.63 119.26 122.26 3kyi h ALA 25 Ca 0.21 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3kyi h ALA 25 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kyi h ALA 25 CO 0.01 0.65 -0.01 1.98 0.00 0.00 0.00 179.25 181.87 3kyi h MET 26 N 0.46 0.57 -0.25 0.00 1.85 -0.69 -2.52 114.93 114.34 3kyi h MET 26 Ca 0.04 -0.19 -0.05 0.00 -0.61 0.00 0.00 59.70 58.89 3kyi h MET 26 Cb 0.91 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.89 3kyi h MET 26 CO 0.08 0.71 -0.02 1.49 -0.40 0.00 0.00 176.91 178.77 3kyi h GLU 27 N 0.36 0.46 -0.77 0.39 4.81 -0.79 -2.93 114.58 116.11 3kyi h GLU 27 Ca 0.09 -0.16 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 3kyi h GLU 27 Cb 0.47 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 3kyi h GLU 27 CO 0.02 0.65 0.47 0.00 -0.73 0.00 0.00 179.01 179.42 3kyi h ALA 28 N 0.79 1.04 -0.41 2.92 0.00 -1.11 -0.26 119.26 122.23 3kyi h ALA 28 Ca 0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3kyi h ALA 28 Cb 0.46 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3kyi h ALA 28 CO 0.02 0.22 -0.15 0.77 0.00 0.00 0.00 179.25 180.11 3kyi h SER 29 N 0.88 0.84 -0.47 0.00 0.02 -1.48 -1.76 113.55 111.59 3kyi h SER 29 Ca 0.33 -0.38 -0.13 0.00 -0.84 0.00 0.00 61.79 60.76 3kyi h SER 29 Cb 0.12 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3kyi h SER 29 CO -0.15 1.04 -0.23 -0.07 -1.14 0.00 0.00 176.83 176.28 3kyi h LEU 30 N 0.64 1.02 -1.05 5.07 3.38 -1.31 -2.04 115.31 121.04 3kyi h LEU 30 Ca 0.10 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 3kyi h LEU 30 Cb 0.69 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3kyi h LEU 30 CO 0.05 1.20 -0.27 -0.07 0.09 0.00 0.00 178.44 179.44 3kyi h LEU 31 N 0.85 0.35 -0.39 1.67 3.38 -1.03 -0.92 115.31 119.21 3kyi h LEU 31 Ca 0.11 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3kyi h LEU 31 Cb 0.81 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3kyi h LEU 31 CO 0.07 0.62 -0.49 0.00 0.09 0.00 0.00 178.44 178.73 3kyi h ALA 32 N 1.41 0.57 -0.64 1.53 0.00 -1.18 -0.69 119.26 120.25 3kyi h ALA 32 Ca 0.05 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 3kyi h ALA 32 Cb 0.64 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3kyi h ALA 32 CO 0.05 0.68 0.06 -0.07 0.00 0.00 0.00 179.25 179.96 3kyi h LEU 33 N 0.65 1.06 -1.02 0.00 3.38 -1.13 -2.43 115.31 115.81 3kyi h LEU 33 Ca 0.03 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 3kyi h LEU 33 Cb 1.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3kyi h LEU 33 CO 0.11 1.08 -0.33 -0.61 0.09 0.00 0.00 178.44 178.78 3kyi h GLN 34 N 1.00 0.29 -0.03 1.13 4.15 -1.09 -2.95 115.11 117.61 3kyi h GLN 34 Ca 0.19 -0.12 -0.13 0.00 0.77 0.00 0.00 58.65 59.36 3kyi h GLN 34 Cb 0.50 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 3kyi h GLN 34 CO 0.02 0.59 -0.56 0.00 -1.93 0.00 0.00 178.83 176.95 3kyi h ALA 35 N 1.41 1.00 0.00 3.38 0.00 -0.79 -3.47 119.26 120.78 3kyi h ALA 35 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3kyi h ALA 35 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kyi h ALA 35 CO 0.05 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.42 3kyi n GLY 36 N 0.13 0.42 3.27 0.00 0.00 -0.95 -5.09 105.19 102.97 3kyi n GLY 36 Ca -0.02 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 3kyi n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kyi s GLU 37 N 0.00 1.15 0.40 1.61 2.02 -1.07 -5.00 118.70 117.81 3kyi s GLU 37 Ca 0.00 -1.12 -0.26 0.00 0.02 0.00 0.00 54.97 53.61 3kyi s GLU 37 Cb 0.00 -1.38 -0.09 0.00 0.10 0.00 0.00 34.13 32.76 3kyi s GLU 37 CO 0.00 0.33 1.27 0.34 0.02 0.00 0.00 175.26 177.22 3kyi s ASP 38 N -1.79 6.38 0.21 -0.19 2.15 -1.26 -4.57 116.67 117.61 3kyi s ASP 38 Ca 0.06 2.59 -0.09 0.00 0.43 0.00 0.00 52.55 55.54 3kyi s ASP 38 Cb -0.10 -2.63 0.24 0.00 -0.30 0.00 0.00 42.92 40.13 3kyi s ASP 38 CO 0.04 -0.80 1.82 0.00 -0.17 0.00 0.00 175.17 176.06 3kyi h ALA 39 N 2.71 0.93 -0.88 3.66 0.00 -1.97 -3.13 119.26 120.57 3kyi h ALA 39 Ca -0.49 0.01 0.20 0.00 0.00 0.00 0.00 54.91 54.63 3kyi h ALA 39 Cb 1.24 -0.15 -0.16 0.00 0.00 0.00 0.00 17.79 18.72 3kyi h ALA 39 CO 0.63 0.09 -0.09 0.00 0.00 0.00 0.00 179.25 179.88 3kyi h ALA 40 N 1.35 0.80 0.00 0.00 0.00 -2.00 0.47 119.26 119.88 3kyi h ALA 40 Ca 0.30 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.53 3kyi h ALA 40 Cb 0.16 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3kyi h ALA 40 CO -0.17 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.63 3kyi h ALA 41 N 1.86 1.00 0.00 0.00 0.00 -1.95 -3.37 119.26 116.80 3kyi h ALA 41 Ca 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 3kyi h ALA 41 Cb 0.83 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3kyi h ALA 41 CO -0.84 0.00 -1.26 0.72 0.00 0.00 0.00 179.25 177.87 3kyi n HIS 42 N -2.66 0.00 -0.04 0.00 8.25 0.42 -4.60 115.22 116.59 3kyi n HIS 42 Ca 0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.41 3kyi n HIS 42 Cb 0.40 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 3kyi n HIS 42 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3kyi h VAL 43 N 0.00 0.89 0.86 1.59 2.07 -0.36 -3.02 116.25 118.28 3kyi h VAL 43 Ca -0.01 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 3kyi h VAL 43 Cb 0.31 0.79 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3kyi h VAL 43 CO 0.00 0.02 -0.41 1.23 0.02 0.00 0.00 177.57 178.42 3kyi h GLY 44 N 0.09 -1.20 -0.50 2.17 0.00 -1.83 -2.80 103.07 99.00 3kyi h GLY 44 Ca 0.09 0.45 0.26 0.00 0.00 0.00 0.00 47.33 48.13 3kyi h GLY 44 CO -0.13 -0.44 0.31 -2.55 0.00 0.00 0.00 176.54 173.72 3kyi h PRO 45 N -1.31 0.22 0.00 4.80 0.11 -1.81 -0.95 132.00 133.06 3kyi h PRO 45 Ca -0.12 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.84 3kyi h PRO 45 Cb 0.89 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 3kyi h PRO 45 CO 0.19 0.14 -0.68 1.37 -0.21 0.00 0.00 178.00 178.81 3kyi h LEU 46 N 0.22 0.00 -0.57 2.35 8.10 -1.59 -2.29 115.31 121.54 3kyi h LEU 46 Ca 0.60 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 58.51 3kyi h LEU 46 Cb 1.27 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.47 3kyi h LEU 46 CO -0.66 0.68 0.03 0.15 -4.11 0.00 0.00 178.44 174.53 3kyi h PHE 47 N 0.00 1.07 -0.34 0.17 3.57 -0.91 -0.08 116.94 120.41 3kyi h PHE 47 Ca -0.01 -0.18 -0.09 0.00 3.53 0.00 0.00 57.97 61.23 3kyi h PHE 47 Cb 1.32 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 3kyi h PHE 47 CO 0.00 0.95 -0.16 0.00 -2.23 0.00 0.00 178.31 176.87 3kyi h ARG 48 N 0.87 0.62 -0.28 1.11 3.08 -1.39 -3.11 114.38 115.28 3kyi h ARG 48 Ca 0.16 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 3kyi h ARG 48 Cb 0.51 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3kyi h ARG 48 CO 0.02 0.75 -0.02 0.00 -1.07 0.00 0.00 179.97 179.66 3kyi h ALA 49 N 1.27 0.39 0.00 0.04 0.00 -1.02 -1.53 119.26 118.41 3kyi h ALA 49 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3kyi h ALA 49 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kyi h ALA 49 CO 0.04 0.15 0.00 0.28 0.00 0.00 0.00 179.25 179.72 3kyi n VAL 50 N -4.56 0.58 0.00 0.00 0.31 -0.08 -2.33 118.33 112.25 3kyi n VAL 50 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3kyi n VAL 50 Cb 0.27 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 3kyi n VAL 50 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3kyi n THR 52 N 0.68 0.00 -0.27 2.52 -1.04 -0.58 -1.16 114.28 114.44 3kyi n THR 52 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 3kyi n THR 52 Cb 0.29 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.86 3kyi n THR 52 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 3kyi h PHE 53 N 0.00 1.15 -0.40 -1.42 3.57 -1.73 -2.31 116.94 115.81 3kyi h PHE 53 Ca 0.00 -0.10 -0.13 0.00 3.53 0.00 0.00 57.97 61.27 3kyi h PHE 53 Cb 0.00 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.39 3kyi h PHE 53 CO 0.00 0.90 -0.26 -0.22 -2.23 0.00 0.00 178.31 176.50 3kyi h LYS 54 N 1.07 0.84 -0.50 1.11 3.64 -1.42 -2.87 116.57 118.44 3kyi h LYS 54 Ca 0.24 -0.37 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 3kyi h LYS 54 Cb 0.27 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3kyi h LYS 54 CO -0.01 1.01 0.13 0.78 -2.27 0.00 0.00 179.45 179.08 3kyi h GLY 55 N 0.92 0.85 1.02 5.01 0.00 -1.76 -1.90 103.07 107.21 3kyi h GLY 55 Ca 0.09 -0.53 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 3kyi h GLY 55 CO 0.07 0.49 -0.15 3.43 0.00 0.00 0.00 176.54 180.38 3kyi h ASN 56 N 0.68 0.85 -0.41 0.19 2.35 -1.44 -2.73 115.58 115.07 3kyi h ASN 56 Ca 0.16 -0.38 -0.09 0.00 -0.55 0.00 0.00 56.30 55.43 3kyi h ASN 56 Cb 0.32 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3kyi h ASN 56 CO -0.00 1.05 -0.07 0.77 -1.65 0.00 0.00 177.43 177.52 3kyi h SER 57 N 0.66 0.84 -0.38 5.81 4.64 -1.49 -2.83 113.55 120.79 3kyi h SER 57 Ca 0.10 -0.24 -0.06 0.00 -0.47 0.00 0.00 61.79 61.12 3kyi h SER 57 Cb 0.70 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 3kyi h SER 57 CO 0.05 0.94 0.05 -0.09 -0.87 0.00 0.00 176.83 176.91 3kyi h ARG 58 N 0.77 0.72 -0.20 4.77 2.43 -1.31 0.22 114.38 121.80 3kyi h ARG 58 Ca 0.13 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3kyi h ARG 58 Cb 0.57 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3kyi h ARG 58 CO 0.03 0.70 0.02 0.28 -1.51 0.00 0.00 179.97 179.49 3kyi h VAL 59 N 0.69 1.24 -0.01 0.20 2.07 -1.25 -3.01 116.25 116.18 3kyi h VAL 59 Ca 0.15 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3kyi h VAL 59 Cb 0.35 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3kyi h VAL 59 CO 0.01 0.25 0.00 0.18 0.02 0.00 0.00 177.57 178.02 3kyi n LEU 60 N -4.72 0.39 -1.20 2.57 4.77 -1.10 -4.91 117.00 112.80 3kyi n LEU 60 Ca -0.04 -0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 55.72 3kyi n LEU 60 Cb 0.21 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 3kyi n LEU 60 CO 0.37 0.07 -0.04 0.61 -1.33 0.00 0.00 177.39 177.06 3kyi n GLY 61 N 1.02 0.14 2.81 -0.72 0.00 -0.96 -4.96 105.19 102.53 3kyi n GLY 61 Ca 0.22 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 3kyi n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kyi n LEU 62 N -1.54 6.80 -0.29 0.99 4.77 0.75 -4.85 117.00 123.62 3kyi n LEU 62 Ca -0.06 -4.59 0.11 0.00 -0.03 0.00 0.00 56.01 51.43 3kyi n LEU 62 Cb 0.56 -1.49 0.25 0.00 -2.33 0.00 0.00 43.42 40.41 3kyi n LEU 62 CO 0.16 1.40 0.90 0.28 -1.33 0.00 0.00 177.39 178.80 3kyi h SER 63 N 5.69 -0.13 -0.08 -1.43 0.02 -1.93 0.12 113.55 115.81 3kyi h SER 63 Ca 0.44 0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.57 3kyi h SER 63 Cb 0.61 0.30 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 3kyi h SER 63 CO 1.66 -0.17 -0.04 0.58 -1.14 0.00 0.00 176.83 177.71 3kyi h VAL 64 N 0.17 1.32 -0.73 2.27 2.07 -1.89 -1.01 116.25 118.45 3kyi h VAL 64 Ca 0.52 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 3kyi h VAL 64 Cb 1.01 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 3kyi h VAL 64 CO -0.67 0.29 0.31 0.58 0.02 0.00 0.00 177.57 178.10 3kyi h VAL 65 N -0.19 1.24 -0.51 2.57 2.07 -1.76 -2.20 116.25 117.47 3kyi h VAL 65 Ca 0.02 -0.74 -0.11 0.00 0.82 0.00 0.00 66.70 66.69 3kyi h VAL 65 Cb 0.48 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3kyi h VAL 65 CO 0.01 0.30 -0.10 -0.08 0.02 0.00 0.00 177.57 177.72 3kyi h GLU 66 N 1.05 0.97 -0.51 1.57 4.81 -0.74 -2.44 114.58 119.28 3kyi h GLU 66 Ca 0.25 -0.36 -0.10 0.00 -0.13 0.00 0.00 59.36 59.02 3kyi h GLU 66 Cb 0.17 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3kyi h GLU 66 CO -0.02 1.03 -0.06 0.66 -0.73 0.00 0.00 179.01 179.89 3kyi h SER 67 N 0.83 0.93 -0.06 1.04 4.64 -0.88 -0.17 113.55 119.88 3kyi h SER 67 Ca 0.13 -0.33 -0.13 0.00 -0.47 0.00 0.00 61.79 60.99 3kyi h SER 67 Cb 0.66 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3kyi h SER 67 CO 0.05 1.05 -0.37 0.03 -0.87 0.00 0.00 176.83 176.71 3kyi h ARG 68 N 0.80 0.57 -0.13 4.77 -0.00 -1.42 -2.89 114.38 116.08 3kyi h ARG 68 Ca 0.14 -0.28 -0.19 0.00 -0.50 0.00 0.00 59.98 59.15 3kyi h ARG 68 Cb 0.60 -0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.57 3kyi h ARG 68 CO 0.04 0.86 -0.69 0.00 0.00 0.00 0.00 179.97 180.18 3kyi h ALA 69 N 1.11 0.55 -0.71 0.04 0.00 -1.35 -3.25 119.26 115.65 3kyi h ALA 69 Ca 0.05 -0.58 0.01 0.00 0.00 0.00 0.00 54.91 54.39 3kyi h ALA 69 Cb 0.87 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3kyi h ALA 69 CO 0.07 0.72 0.46 1.25 0.00 0.00 0.00 179.25 181.76 3kyi h HIS 70 N 0.40 0.88 -0.15 0.00 -0.00 -0.89 -2.14 115.15 113.25 3kyi h HIS 70 Ca -0.02 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.29 3kyi h HIS 70 Cb 1.27 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 28.37 3kyi h HIS 70 CO 0.06 0.54 -0.24 -0.07 -0.00 0.00 0.00 177.93 178.22 3kyi h LEU 71 N 0.94 0.26 -0.38 0.26 3.38 -1.58 -1.78 115.31 116.42 3kyi h LEU 71 Ca 0.26 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3kyi h LEU 71 Cb -0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3kyi h LEU 71 CO -0.06 0.52 0.07 0.00 0.09 0.00 0.00 178.44 179.05 3kyi h GLU 73 N 0.46 0.96 -0.22 0.00 4.81 -1.02 -1.64 114.58 117.95 3kyi h GLU 73 Ca 0.12 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3kyi h GLU 73 Cb 0.34 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3kyi h GLU 73 CO 0.01 0.67 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.47 3kyi h ASP 74 N 0.99 0.41 -0.61 1.04 3.32 -1.15 0.53 116.42 120.96 3kyi h ASP 74 Ca 0.26 -0.35 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 3kyi h ASP 74 Cb -0.06 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3kyi h ASP 74 CO -0.05 0.67 0.20 0.25 -1.72 0.00 0.00 179.24 178.59 3kyi h LEU 75 N 0.15 0.87 -0.46 1.55 5.85 -1.22 -1.06 115.31 120.99 3kyi h LEU 75 Ca 0.06 -0.20 -0.14 0.00 0.84 0.00 0.00 57.88 58.43 3kyi h LEU 75 Cb 0.48 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3kyi h LEU 75 CO 0.02 0.84 -0.30 0.40 -0.34 0.00 0.00 178.44 179.06 3kyi h ILE 76 N 0.86 1.27 -0.36 4.05 2.04 -1.32 -2.98 117.51 121.07 3kyi h ILE 76 Ca 0.20 -1.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 3kyi h ILE 76 Cb 0.27 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3kyi h ILE 76 CO -0.01 0.50 0.19 1.23 0.00 0.00 0.00 178.15 180.06 3kyi h GLY 77 N 0.84 0.52 1.81 5.37 0.00 -0.58 -0.97 103.07 110.06 3kyi h GLY 77 Ca 0.09 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 3kyi h GLY 77 CO 0.08 0.21 -0.38 1.41 0.00 0.00 0.00 176.54 177.85 3kyi h LEU 78 N 0.49 0.22 0.00 3.11 3.38 -1.05 0.13 115.31 121.60 3kyi h LEU 78 Ca 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3kyi h LEU 78 Cb 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kyi h LEU 78 CO -0.02 0.59 -0.09 0.58 0.09 0.00 0.00 178.44 179.59 3kyi h VAL 79 N 0.18 1.61 0.42 1.22 2.07 -1.27 -1.03 116.25 119.45 3kyi h VAL 79 Ca 0.02 -1.90 -0.02 0.00 0.82 0.00 0.00 66.70 65.62 3kyi h VAL 79 Cb 0.76 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 3kyi h VAL 79 CO 0.06 0.50 -0.20 -0.09 0.02 0.00 0.00 177.57 177.86 3kyi h ARG 80 N -0.69 -0.54 0.00 1.57 2.43 -1.18 -3.22 114.38 112.75 3kyi h ARG 80 Ca -0.01 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3kyi h ARG 80 Cb 0.87 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3kyi h ARG 80 CO 0.02 -0.36 -0.12 -0.44 -1.51 0.00 0.00 179.97 177.56 3kyi h ASP 81 N -0.92 0.00 1.09 -3.80 3.32 -0.94 -3.38 116.42 111.79 3kyi h ASP 81 Ca -0.06 -0.49 -0.02 0.00 0.02 0.00 0.00 57.03 56.49 3kyi h ASP 81 Cb 0.43 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 3kyi h ASP 81 CO 0.09 0.81 -0.07 0.00 -1.72 0.00 0.00 179.24 178.35 3kyi h ALA 82 N -0.51 1.00 -3.09 3.45 0.00 -1.48 -3.48 119.26 115.15 3kyi h ALA 82 Ca -0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3kyi h ALA 82 Cb 0.58 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.39 3kyi h ALA 82 CO -0.02 0.09 -0.18 0.41 0.00 0.00 0.00 179.25 179.56 3kyi n GLY 83 N 0.19 0.34 3.73 0.00 0.00 -0.49 -4.99 105.19 103.97 3kyi n GLY 83 Ca 0.01 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 3kyi n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kyi s VAL 84 N -3.08 4.88 0.25 1.61 1.01 -0.63 -4.99 120.40 119.45 3kyi s VAL 84 Ca 0.04 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 3kyi s VAL 84 Cb -0.01 -3.13 -0.10 0.00 0.00 0.00 0.00 36.38 33.14 3kyi s VAL 84 CO 0.16 0.55 1.38 -2.84 0.00 0.00 0.00 175.10 174.36 3kyi s PRO 85 N -0.45 4.31 -1.27 2.72 0.02 -1.26 -4.28 135.00 134.79 3kyi s PRO 85 Ca 0.10 2.22 -0.15 0.00 0.02 0.00 0.00 61.00 63.20 3kyi s PRO 85 Cb -0.12 -3.12 0.13 0.00 0.02 0.00 0.00 34.50 31.40 3kyi s PRO 85 CO 0.02 -0.33 1.67 -0.12 -0.33 0.00 0.00 177.00 177.91 3kyi n MET 86 N 2.09 3.30 -1.38 5.54 1.56 -1.26 -4.98 117.12 122.00 3kyi n MET 86 Ca 0.05 -3.50 -0.29 0.00 -0.27 0.00 0.00 57.70 53.69 3kyi n MET 86 Cb 0.41 -3.20 0.13 0.00 2.15 0.00 0.00 33.22 32.71 3kyi n MET 86 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 3kyi s ASP 87 N 3.06 3.59 0.42 6.12 1.47 -1.26 -4.83 116.67 125.25 3kyi s ASP 87 Ca 0.47 1.24 0.23 0.00 1.18 0.00 0.00 52.55 55.67 3kyi s ASP 87 Cb 0.03 -1.91 1.23 0.00 -0.34 0.00 0.00 42.92 41.93 3kyi s ASP 87 CO 0.02 -2.53 1.74 1.23 0.68 0.00 0.00 175.17 176.31 3kyi h GLY 88 N -1.48 1.08 0.93 2.12 0.00 -2.00 -0.94 103.07 102.78 3kyi h GLY 88 Ca -0.50 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 3kyi h GLY 88 CO 0.58 -0.18 0.10 -2.09 0.00 0.00 0.00 176.54 174.95 3kyi h GLU 89 N 0.28 0.60 -0.13 4.80 4.81 -1.98 -0.45 114.58 122.50 3kyi h GLU 89 Ca 0.64 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.76 3kyi h GLU 89 Cb 1.84 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 31.12 3kyi h GLU 89 CO -0.29 0.63 -0.02 0.82 -0.73 0.00 0.00 179.01 179.42 3kyi h ILE 90 N 0.46 0.89 -0.42 2.32 1.08 -1.52 -1.31 117.51 119.01 3kyi h ILE 90 Ca 0.12 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.59 3kyi h ILE 90 Cb 0.29 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 3kyi h ILE 90 CO 0.00 0.00 0.28 0.58 -0.69 0.00 0.00 178.15 178.32 3kyi h VAL 91 N 0.02 1.11 -0.28 1.67 2.07 -1.44 -2.23 116.25 117.18 3kyi h VAL 91 Ca 0.06 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.42 3kyi h VAL 91 Cb 0.09 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3kyi h VAL 91 CO -0.12 0.10 0.11 -0.33 0.02 0.00 0.00 177.57 177.35 3kyi h GLU 92 N 0.56 0.23 -0.31 1.57 5.08 -0.73 0.68 114.58 121.65 3kyi h GLU 92 Ca 0.15 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3kyi h GLU 92 Cb -0.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3kyi h GLU 92 CO -0.03 0.15 0.05 0.82 -1.00 0.00 0.00 179.01 179.00 3kyi h ILE 93 N 0.24 1.24 0.00 3.13 2.04 -1.18 -2.02 117.51 120.96 3kyi h ILE 93 Ca 0.12 -0.83 -0.06 0.00 1.00 0.00 0.00 64.86 65.09 3kyi h ILE 93 Cb 0.07 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3kyi h ILE 93 CO -0.11 0.27 -0.31 -0.07 0.00 0.00 0.00 178.15 177.93 3kyi h LEU 94 N 0.35 0.00 -0.26 1.44 3.38 -1.23 0.13 115.31 119.12 3kyi h LEU 94 Ca 0.09 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 3kyi h LEU 94 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3kyi h LEU 94 CO 0.01 0.31 -0.85 -0.07 0.09 0.00 0.00 178.44 177.92 3kyi h LEU 95 N 0.00 0.54 -0.64 1.67 3.38 -0.72 -0.47 115.31 119.07 3kyi h LEU 95 Ca -0.00 -0.40 -0.14 0.00 0.09 0.00 0.00 57.88 57.43 3kyi h LEU 95 Cb 0.62 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3kyi h LEU 95 CO 0.04 1.17 -0.52 0.15 0.09 0.00 0.00 178.44 179.37 3kyi h PHE 96 N 0.27 0.52 -0.50 1.13 3.57 -0.93 -2.86 116.94 118.14 3kyi h PHE 96 Ca -0.06 -0.18 -0.08 0.00 3.53 0.00 0.00 57.97 61.18 3kyi h PHE 96 Cb 1.46 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.08 3kyi h PHE 96 CO 0.06 0.86 0.00 0.00 -2.23 0.00 0.00 178.31 176.99 3kyi h ALA 97 N 1.11 0.68 -0.45 2.41 0.00 -0.64 -1.79 119.26 120.59 3kyi h ALA 97 Ca 0.01 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.68 3kyi h ALA 97 Cb 1.03 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3kyi h ALA 97 CO 0.09 0.49 0.19 1.03 0.00 0.00 0.00 179.25 181.05 3kyi h SER 98 N 0.76 0.23 0.26 0.00 0.87 -0.94 0.21 113.55 114.93 3kyi h SER 98 Ca 0.14 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.59 3kyi h SER 98 Cb 0.52 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3kyi h SER 98 CO 0.03 0.17 -0.60 0.44 -0.53 0.00 0.00 176.83 176.33 3kyi h ASP 99 N 0.38 0.39 -0.10 6.23 3.32 -1.45 -1.25 116.42 123.95 3kyi h ASP 99 Ca 0.20 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 3kyi h ASP 99 Cb 0.17 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3kyi h ASP 99 CO -0.18 0.90 -0.15 0.74 -1.72 0.00 0.00 179.24 178.84 3kyi h THR 100 N 0.26 1.38 0.00 0.35 2.02 -0.96 -2.51 112.91 113.44 3kyi h THR 100 Ca -0.01 -1.37 -0.05 0.00 0.77 0.00 0.00 66.41 65.75 3kyi h THR 100 Cb 1.13 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 69.57 3kyi h THR 100 CO 0.10 0.39 -0.24 -0.07 0.37 0.00 0.00 175.52 176.07 3kyi h LEU 101 N -0.15 0.00 -0.43 2.58 3.38 -0.60 -0.34 115.31 119.76 3kyi h LEU 101 Ca 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3kyi h LEU 101 Cb 0.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3kyi h LEU 101 CO 0.03 0.24 -0.13 -0.09 0.09 0.00 0.00 178.44 178.58 3kyi h ARG 102 N 0.00 0.84 -0.12 1.13 9.65 -1.15 0.25 114.38 124.99 3kyi h ARG 102 Ca -0.00 -0.34 -0.14 0.00 -1.10 0.00 0.00 59.98 58.40 3kyi h ARG 102 Cb 0.53 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 3kyi h ARG 102 CO 0.03 0.97 -0.53 0.00 2.80 0.00 0.00 179.97 183.24 3kyi h ALA 103 N 0.85 0.88 -0.26 2.80 0.00 -0.99 -2.33 119.26 120.21 3kyi h ALA 103 Ca 0.10 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 3kyi h ALA 103 Cb 0.68 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3kyi h ALA 103 CO 0.05 0.68 -0.37 0.52 0.00 0.00 0.00 179.25 180.12 3kyi h MET 104 N 0.26 0.71 -0.30 0.00 2.86 -0.83 -2.54 114.93 115.09 3kyi h MET 104 Ca 0.01 -0.42 -0.03 0.00 -2.06 0.00 0.00 59.70 57.19 3kyi h MET 104 Cb 1.01 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 3kyi h MET 104 CO 0.09 1.04 0.06 1.25 1.06 0.00 0.00 176.91 180.40 3kyi h LEU 105 N 0.44 0.48 -1.02 1.22 5.85 -0.47 -1.39 115.31 120.42 3kyi h LEU 105 Ca 0.03 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 3kyi h LEU 105 Cb 0.96 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 3kyi h LEU 105 CO 0.09 0.61 0.04 -0.33 -0.34 0.00 0.00 178.44 178.51 3kyi h GLU 106 N 0.33 0.75 -0.00 1.25 5.08 -1.47 -1.63 114.58 118.88 3kyi h GLU 106 Ca 0.09 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3kyi h GLU 106 Cb 0.33 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3kyi h GLU 106 CO 0.00 0.73 -0.01 1.49 -1.00 0.00 0.00 179.01 180.22 3kyi h GLU 107 N 0.71 0.01 -0.33 2.33 4.81 -1.39 -3.05 114.58 117.67 3kyi h GLU 107 Ca 0.15 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3kyi h GLU 107 Cb 0.38 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 3kyi h GLU 107 CO 0.01 0.64 0.04 1.79 -0.73 0.00 0.00 179.01 180.76 3kyi h THR 108 N -0.61 1.17 -0.36 0.32 1.35 -1.23 -1.43 112.91 112.12 3kyi h THR 108 Ca -0.00 -0.65 -0.13 0.00 -0.55 0.00 0.00 66.41 65.08 3kyi h THR 108 Cb 0.64 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 3kyi h THR 108 CO 0.00 0.23 -0.29 0.00 -0.25 0.00 0.00 175.52 175.21 3kyi h ALA 109 N 1.57 0.52 -0.04 6.62 0.00 -1.38 0.49 119.26 127.04 3kyi h ALA 109 Ca 0.11 -0.41 -0.21 0.00 0.00 0.00 0.00 54.91 54.40 3kyi h ALA 109 Cb 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kyi h ALA 109 CO 0.00 0.55 -0.86 0.00 0.00 0.00 0.00 179.25 178.94 3kyi h ALA 110 N 0.76 0.44 0.00 0.00 0.00 -1.40 -3.33 119.26 115.72 3kyi h ALA 110 Ca 0.07 -0.66 -0.21 0.00 0.00 0.00 0.00 54.91 54.10 3kyi h ALA 110 Cb 0.87 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3kyi h ALA 110 CO 0.08 0.78 -1.37 0.66 0.00 0.00 0.00 179.25 179.40 3kyi h SER 111 N 0.28 0.00 -3.91 0.00 4.64 -1.31 -3.49 113.55 109.76 3kyi h SER 111 Ca -0.06 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.91 3kyi h SER 111 Cb 1.47 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.62 3kyi h SER 111 CO 0.15 0.78 -0.52 0.54 -0.87 0.00 0.00 176.83 176.91 3kyi n ARG 112 N -3.04 -4.27 -3.77 4.77 1.74 0.16 -5.00 116.66 107.25 3kyi n ARG 112 Ca -0.10 0.78 -0.09 0.00 -0.77 0.00 0.00 57.85 57.67 3kyi n ARG 112 Cb 0.92 -5.38 -0.04 0.00 -1.02 0.00 0.00 32.46 26.94 3kyi n ARG 112 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kyi s ALA 113 N -3.09 -0.89 0.86 7.54 0.00 -1.23 -5.08 121.76 119.86 3kyi s ALA 113 Ca 0.26 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.83 3kyi s ALA 113 Cb -0.12 0.87 0.11 0.00 0.00 0.00 0.00 23.12 23.98 3kyi s ALA 113 CO 0.33 -0.82 1.09 0.34 0.00 0.00 0.00 175.76 176.70 3kyi s ASP 114 N -2.89 3.74 0.36 0.00 2.15 -1.26 -4.44 116.67 114.33 3kyi s ASP 114 Ca 0.10 1.68 -0.02 0.00 0.43 0.00 0.00 52.55 54.74 3kyi s ASP 114 Cb -0.01 -2.35 -0.04 0.00 -0.30 0.00 0.00 42.92 40.22 3kyi s ASP 114 CO -0.01 -2.50 0.61 0.68 -0.17 0.00 0.00 175.17 173.77 3kyi s VAL 115 N -2.88 5.04 0.23 1.11 -7.23 -1.26 -4.98 120.40 110.43 3kyi s VAL 115 Ca 0.63 -0.17 0.01 0.00 -1.81 0.00 0.00 61.98 60.64 3kyi s VAL 115 Cb -0.18 -3.83 -0.02 0.00 0.56 0.00 0.00 36.38 32.91 3kyi s VAL 115 CO 0.57 -0.56 1.57 -0.08 -0.31 0.00 0.00 175.10 176.29 3kyi h GLU 116 N 0.88 0.42 -0.06 4.82 4.57 -2.02 -3.45 114.58 119.74 3kyi h GLU 116 Ca -0.49 -0.25 -0.03 0.00 -1.18 0.00 0.00 59.36 57.42 3kyi h GLU 116 Cb 1.21 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.81 3kyi h GLU 116 CO 0.63 0.83 -0.03 0.41 -1.18 0.00 0.00 179.01 179.67 3kyi n GLY 117 N 0.11 0.51 0.24 1.92 0.00 -1.26 -4.94 105.19 101.77 3kyi n GLY 117 Ca -0.02 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 3kyi n GLY 117 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kyi h THR 118 N 0.00 1.29 -0.02 2.61 1.35 -2.02 -3.11 112.91 113.01 3kyi h THR 118 Ca -0.03 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 3kyi h THR 118 Cb 0.16 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3kyi h THR 118 CO 0.04 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 3kyi n GLY 119 N 0.23 -0.80 0.05 5.82 0.00 -1.26 -3.26 105.19 105.98 3kyi n GLY 119 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3kyi n GLY 119 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kyi n SER 120 N -0.67 1.68 0.16 1.61 3.41 -1.18 -4.72 113.62 113.91 3kyi n SER 120 Ca 0.18 -1.62 0.03 0.00 -0.26 0.00 0.00 58.87 57.20 3kyi n SER 120 Cb 0.13 -0.01 0.42 0.00 -0.26 0.00 0.00 64.21 64.48 3kyi n SER 120 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kyi h GLU 121 N 0.18 0.12 -0.26 4.33 5.08 -1.52 -2.65 114.58 119.85 3kyi h GLU 121 Ca 0.00 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 3kyi h GLU 121 Cb 0.33 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3kyi h GLU 121 CO 0.00 0.32 -0.41 0.00 -1.00 0.00 0.00 179.01 177.91 3kyi h ALA 122 N 1.69 0.80 -0.28 3.43 0.00 -1.84 -2.89 119.26 120.16 3kyi h ALA 122 Ca 0.02 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 3kyi h ALA 122 Cb 0.41 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kyi h ALA 122 CO 0.03 0.65 -0.43 1.25 0.00 0.00 0.00 179.25 180.75 3kyi h LEU 123 N 0.51 0.87 -1.05 0.00 5.85 -1.84 -1.29 115.31 118.36 3kyi h LEU 123 Ca 0.04 -0.51 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 3kyi h LEU 123 Cb 0.93 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 3kyi h LEU 123 CO 0.08 1.22 0.56 0.24 -0.34 0.00 0.00 178.44 180.20 3kyi h MET 124 N 0.55 1.21 0.01 1.25 2.86 -1.47 0.61 114.93 119.96 3kyi h MET 124 Ca 0.03 -0.10 -0.21 0.00 -2.06 0.00 0.00 59.70 57.36 3kyi h MET 124 Cb 1.03 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 3kyi h MET 124 CO 0.10 0.83 -0.91 0.22 1.06 0.00 0.00 176.91 178.21 3kyi h ASP 125 N 1.23 0.32 -0.61 1.22 3.58 -1.51 -1.91 116.42 118.75 3kyi h ASP 125 Ca 0.33 -0.27 -0.04 0.00 0.42 0.00 0.00 57.03 57.47 3kyi h ASP 125 Cb -0.08 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 3kyi h ASP 125 CO -0.06 1.08 0.24 1.56 -2.88 0.00 0.00 179.24 179.17 3kyi h GLN 126 N 0.13 0.91 -0.09 0.28 4.20 -0.60 0.48 115.11 120.42 3kyi h GLN 126 Ca -0.06 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 3kyi h GLN 126 Cb 1.55 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 29.18 3kyi h GLN 126 CO 0.14 0.78 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.93 3kyi h LEU 127 N 0.85 0.23 -1.28 1.46 3.38 -0.93 -3.12 115.31 115.90 3kyi h LEU 127 Ca 0.20 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3kyi h LEU 127 Cb 0.21 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3kyi h LEU 127 CO -0.02 0.65 0.44 -0.09 0.09 0.00 0.00 178.44 179.51 3kyi h ARG 128 N -0.19 0.92 -0.02 1.13 2.43 -1.23 -1.84 114.38 115.58 3kyi h ARG 128 Ca 0.02 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3kyi h ARG 128 Cb 0.58 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3kyi h ARG 128 CO 0.02 0.63 0.01 1.03 -1.51 0.00 0.00 179.97 180.15 3kyi h SER 129 N 0.95 0.02 -0.31 -3.80 0.87 -0.92 -2.70 113.55 107.66 3kyi h SER 129 Ca 0.25 -0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.67 3kyi h SER 129 Cb -0.07 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3kyi h SER 129 CO -0.05 0.05 -0.21 0.50 -0.53 0.00 0.00 176.83 176.59 3kyi h LYS 130 N -0.01 0.69 -0.84 2.24 1.63 -1.44 -2.35 116.57 116.50 3kyi h LYS 130 Ca 0.01 -0.33 0.08 0.00 -0.85 0.00 0.00 60.65 59.56 3kyi h LYS 130 Cb 0.03 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.59 3kyi h LYS 130 CO -0.00 0.93 0.49 0.82 -3.45 0.00 0.00 179.45 178.24 3kyi h ILE 131 N 0.45 0.95 -0.34 2.00 2.04 -1.35 0.54 117.51 121.80 3kyi h ILE 131 Ca 0.06 -0.29 -0.11 0.00 1.00 0.00 0.00 64.86 65.52 3kyi h ILE 131 Cb 0.76 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3kyi h ILE 131 CO 0.06 0.16 -0.23 0.00 0.00 0.00 0.00 178.15 178.13 3kyi h ALA 132 N 1.44 0.49 -0.18 1.87 0.00 -1.48 -2.21 119.26 119.19 3kyi h ALA 132 Ca 0.39 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3kyi h ALA 132 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kyi h ALA 132 CO -0.22 0.47 -0.09 0.00 0.00 0.00 0.00 179.25 179.41 3kyi h ARG 133 N 0.54 0.28 0.08 0.00 3.08 -0.79 -2.66 114.38 114.91 3kyi h ARG 133 Ca 0.07 -0.06 -0.25 0.00 0.07 0.00 0.00 59.98 59.81 3kyi h ARG 133 Cb 0.79 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 3kyi h ARG 133 CO 0.06 0.38 -1.14 0.00 -1.07 0.00 0.00 179.97 178.21