#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyi s PRO 2 N 0.00 4.58 0.10 1.43 0.04 -1.26 -5.10 135.00 134.78 3kyi s PRO 2 Ca 0.00 1.84 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 3kyi s PRO 2 Cb 0.00 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.28 3kyi s PRO 2 CO 0.00 0.09 1.12 0.71 0.04 0.00 0.00 177.00 178.97 3kyi s TYR 3 N -0.77 3.54 -0.22 0.56 2.02 0.11 -4.78 117.35 117.81 3kyi s TYR 3 Ca 0.47 1.48 -0.29 0.00 -0.37 0.00 0.00 57.07 58.36 3kyi s TYR 3 Cb -0.32 -3.31 0.01 0.00 -0.40 0.00 0.00 41.96 37.93 3kyi s TYR 3 CO 0.40 -0.81 1.07 -0.80 -1.57 0.00 0.00 175.55 173.85 3kyi s ASN 4 N 0.60 7.08 0.08 2.29 0.01 -1.26 -0.74 114.94 123.00 3kyi s ASN 4 Ca 0.54 1.43 0.07 0.00 -0.71 0.00 0.00 52.86 54.20 3kyi s ASN 4 Cb -0.28 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.80 3kyi s ASN 4 CO 0.31 -0.68 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.39 3kyi s VAL 5 N 3.21 3.06 -0.07 1.60 1.01 0.98 0.23 120.40 130.43 3kyi s VAL 5 Ca 0.46 -1.27 0.04 0.00 0.00 0.00 0.00 61.98 61.20 3kyi s VAL 5 Cb -0.16 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3kyi s VAL 5 CO 0.08 0.20 -0.18 -0.32 0.00 0.00 0.00 175.10 174.88 3kyi s MET 6 N -1.89 2.18 -0.20 2.72 1.75 -0.61 -0.92 119.30 122.34 3kyi s MET 6 Ca 0.18 -0.64 -0.09 0.00 -1.25 0.00 0.00 55.69 53.90 3kyi s MET 6 Cb -0.11 -1.76 -0.04 0.00 2.84 0.00 0.00 34.83 35.76 3kyi s MET 6 CO 0.09 0.15 0.10 0.42 -0.65 0.00 0.00 175.02 175.13 3kyi s ILE 7 N 0.35 5.07 -0.24 10.11 1.01 -0.60 -0.66 121.20 136.25 3kyi s ILE 7 Ca -0.13 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.60 3kyi s ILE 7 Cb -0.15 -3.31 0.07 0.00 0.01 0.00 0.00 42.46 39.08 3kyi s ILE 7 CO 0.05 0.44 -0.02 -0.69 0.00 0.00 0.00 174.94 174.72 3kyi s VAL 8 N 0.47 1.36 -0.26 2.92 1.01 0.02 -1.13 120.40 124.79 3kyi s VAL 8 Ca 0.05 -1.20 -0.25 0.00 0.00 0.00 0.00 61.98 60.58 3kyi s VAL 8 Cb -0.12 -1.72 0.09 0.00 0.00 0.00 0.00 36.38 34.63 3kyi s VAL 8 CO -0.00 -0.20 0.81 -0.62 0.00 0.00 0.00 175.10 175.09 3kyi s ASP 9 N 1.46 -0.66 0.44 3.32 -1.08 -0.97 -2.01 116.67 117.17 3kyi s ASP 9 Ca -0.03 1.23 0.23 0.00 -0.52 0.00 0.00 52.55 53.47 3kyi s ASP 9 Cb -0.18 1.24 1.00 0.00 -1.46 0.00 0.00 42.92 43.51 3kyi s ASP 9 CO -0.08 -0.25 1.87 -2.24 0.52 0.00 0.00 175.17 174.99 3kyi h ASP 10 N 4.62 0.00 -3.71 -0.34 3.04 -1.81 -3.36 116.42 114.86 3kyi h ASP 10 Ca -0.28 0.00 -0.63 0.00 -3.24 0.00 0.00 57.03 52.88 3kyi h ASP 10 Cb 1.16 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 39.31 3kyi h ASP 10 CO 0.09 0.24 -0.23 0.00 -2.04 0.00 0.00 179.24 177.30 3kyi s ALA 11 N -3.81 3.57 0.32 4.15 0.00 -1.26 -4.93 121.76 119.79 3kyi s ALA 11 Ca -0.01 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.18 3kyi s ALA 11 Cb 0.11 -2.71 0.63 0.00 0.00 0.00 0.00 23.12 21.15 3kyi s ALA 11 CO 0.64 -0.64 1.91 0.00 0.00 0.00 0.00 175.76 177.67 3kyi h ALA 12 N 8.13 1.61 -0.45 0.00 0.00 -1.99 -2.74 119.26 123.82 3kyi h ALA 12 Ca -0.32 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.61 3kyi h ALA 12 Cb 1.16 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3kyi h ALA 12 CO 0.65 0.24 0.23 1.98 0.00 0.00 0.00 179.25 182.35 3kyi h MET 13 N 0.91 0.45 -0.39 0.00 -1.53 -1.97 -1.66 114.93 110.74 3kyi h MET 13 Ca 0.39 -0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.59 3kyi h MET 13 Cb 0.31 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 31.24 3kyi h MET 13 CO -0.15 0.30 0.14 1.98 0.14 0.00 0.00 176.91 179.32 3kyi h MET 14 N 0.47 0.59 -0.75 0.39 -1.53 -1.90 -1.77 114.93 110.43 3kyi h MET 14 Ca 0.19 -0.12 0.02 0.00 -3.44 0.00 0.00 59.70 56.36 3kyi h MET 14 Cb 0.09 -0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 31.00 3kyi h MET 14 CO -0.13 0.58 0.48 0.00 0.14 0.00 0.00 176.91 177.99 3kyi h ARG 15 N 0.48 0.94 -0.40 0.39 3.08 -1.34 -2.26 114.38 115.26 3kyi h ARG 15 Ca 0.13 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 3kyi h ARG 15 Cb 0.22 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3kyi h ARG 15 CO -0.01 0.62 -0.30 1.25 -1.07 0.00 0.00 179.97 180.47 3kyi h LEU 16 N 0.96 0.91 -0.60 3.04 5.85 -1.17 -1.20 115.31 123.10 3kyi h LEU 16 Ca 0.29 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 3kyi h LEU 16 Cb -0.05 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 3kyi h LEU 16 CO -0.09 1.14 0.25 0.22 -0.34 0.00 0.00 178.44 179.62 3kyi h TYR 17 N 0.74 0.90 -0.16 1.25 3.20 -1.05 0.77 116.97 122.62 3kyi h TYR 17 Ca 0.08 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3kyi h TYR 17 Cb 0.86 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 3kyi h TYR 17 CO 0.05 0.71 -0.02 0.82 -1.64 0.00 0.00 178.16 178.08 3kyi h ILE 18 N 0.82 1.27 -0.65 1.81 2.04 -1.39 -2.45 117.51 118.97 3kyi h ILE 18 Ca 0.20 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 65.19 3kyi h ILE 18 Cb 0.18 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3kyi h ILE 18 CO -0.02 0.27 0.43 0.00 0.00 0.00 0.00 178.15 178.83 3kyi h ALA 19 N 0.74 1.74 -0.27 1.87 0.00 -1.02 0.06 119.26 122.37 3kyi h ALA 19 Ca 0.04 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3kyi h ALA 19 Cb 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3kyi h ALA 19 CO 0.01 0.17 -0.41 0.77 0.00 0.00 0.00 179.25 179.79 3kyi h SER 20 N 0.68 0.71 -0.15 0.00 0.02 -0.73 -2.08 113.55 112.00 3kyi h SER 20 Ca 0.27 -0.33 -0.17 0.00 -0.84 0.00 0.00 61.79 60.73 3kyi h SER 20 Cb 0.22 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.56 3kyi h SER 20 CO -0.08 1.04 -0.57 0.15 -1.14 0.00 0.00 176.83 176.23 3kyi h PHE 21 N 0.55 0.86 -0.03 3.45 3.57 -0.78 -3.21 116.94 121.35 3kyi h PHE 21 Ca 0.04 -0.36 -0.08 0.00 3.53 0.00 0.00 57.97 61.10 3kyi h PHE 21 Cb 0.95 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 3kyi h PHE 21 CO 0.04 1.16 -0.36 0.82 -2.23 0.00 0.00 178.31 177.74 3kyi h ILE 22 N 0.32 1.26 -0.13 1.41 1.08 -1.04 -2.63 117.51 117.79 3kyi h ILE 22 Ca -0.03 -1.26 -0.00 0.00 -0.39 0.00 0.00 64.86 63.18 3kyi h ILE 22 Cb 1.19 1.65 -0.01 0.00 -3.07 0.00 0.00 36.82 36.58 3kyi h ILE 22 CO 0.12 0.36 0.07 0.50 -0.69 0.00 0.00 178.15 178.51 3kyi h LYS 23 N 0.04 0.17 0.00 2.37 3.64 -1.38 -1.30 116.57 120.12 3kyi h LYS 23 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3kyi h LYS 23 Cb 0.65 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3kyi h LYS 23 CO 0.05 0.13 -0.32 1.79 -2.27 0.00 0.00 179.45 178.83 3kyi h THR 24 N 0.18 0.00 -3.36 1.00 1.35 -1.49 -3.46 112.91 107.13 3kyi h THR 24 Ca 0.05 -0.89 -0.56 0.00 -0.55 0.00 0.00 66.41 64.46 3kyi h THR 24 Cb 0.00 1.72 -0.04 0.00 -1.73 0.00 0.00 68.15 68.10 3kyi h THR 24 CO -0.01 0.00 0.27 -0.76 -0.25 0.00 0.00 175.52 174.77 3kyi s LEU 25 N -5.61 4.30 0.12 3.87 1.43 -0.49 -4.98 118.68 117.32 3kyi s LEU 25 Ca 0.05 1.36 0.25 0.00 -1.03 0.00 0.00 54.13 54.77 3kyi s LEU 25 Cb 0.08 -3.30 0.48 0.00 0.03 0.00 0.00 46.19 43.48 3kyi s LEU 25 CO 0.70 -0.24 1.44 -0.81 0.23 0.00 0.00 176.35 177.67 3kyi n PRO 26 N 4.16 0.25 0.00 1.29 -0.04 -1.26 -3.88 135.00 135.52 3kyi n PRO 26 Ca 0.03 0.10 0.10 0.00 -0.04 0.00 0.00 63.50 63.69 3kyi n PRO 26 Cb 0.51 -1.68 -0.05 0.00 -0.04 0.00 0.00 33.50 32.24 3kyi n PRO 26 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3kyi n ASP 27 N -2.06 0.92 -4.21 3.54 5.75 -1.26 -4.59 116.55 114.64 3kyi n ASP 27 Ca 0.04 -0.86 -0.22 0.00 -0.01 0.00 0.00 54.79 53.73 3kyi n ASP 27 Cb 0.42 0.85 -0.13 0.00 -1.03 0.00 0.00 41.12 41.23 3kyi n ASP 27 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3kyi s PHE 28 N -2.99 1.54 -0.05 2.11 0.08 -1.25 -0.71 117.98 116.71 3kyi s PHE 28 Ca 0.09 -0.38 -0.03 0.00 0.12 0.00 0.00 56.93 56.73 3kyi s PHE 28 Cb 0.16 -0.89 0.03 0.00 -0.57 0.00 0.00 43.02 41.74 3kyi s PHE 28 CO 0.83 0.09 0.11 0.21 -0.10 0.00 0.00 175.22 176.36 3kyi s LYS 29 N -1.37 0.08 -0.13 0.44 2.20 0.08 -4.67 119.74 116.37 3kyi s LYS 29 Ca 0.04 0.25 -0.27 0.00 -0.36 0.00 0.00 55.97 55.63 3kyi s LYS 29 Cb -0.09 -0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.12 3kyi s LYS 29 CO 0.02 -0.10 0.90 0.08 -0.36 0.00 0.00 175.35 175.89 3kyi s VAL 30 N 0.69 4.85 -0.05 4.02 1.01 -1.26 -0.01 120.40 129.65 3kyi s VAL 30 Ca -0.05 1.80 0.10 0.00 0.00 0.00 0.00 61.98 63.83 3kyi s VAL 30 Cb -0.07 -4.21 -0.14 0.00 0.00 0.00 0.00 36.38 31.95 3kyi s VAL 30 CO -0.03 0.04 0.14 1.33 0.00 0.00 0.00 175.10 176.58 3kyi n VAL 31 N 4.57 0.29 -3.73 2.92 0.24 -0.10 -4.88 118.33 117.65 3kyi n VAL 31 Ca 0.06 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 3kyi n VAL 31 Cb 0.49 -0.18 -0.09 0.00 -1.47 0.00 0.00 33.84 32.59 3kyi n VAL 31 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kyi s ALA 32 N -2.51 -0.99 -0.09 2.33 0.00 -1.21 -5.05 121.76 114.24 3kyi s ALA 32 Ca -0.04 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.81 3kyi s ALA 32 Cb 0.05 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.83 3kyi s ALA 32 CO 0.42 -0.23 -0.13 -0.65 0.00 0.00 0.00 175.76 175.17 3kyi s GLN 33 N -0.43 1.87 -0.02 0.00 -0.21 -1.26 -1.55 119.66 118.06 3kyi s GLN 33 Ca -0.06 -0.45 0.02 0.00 0.02 0.00 0.00 55.36 54.90 3kyi s GLN 33 Cb -0.03 -1.62 0.00 0.00 1.00 0.00 0.00 33.01 32.36 3kyi s GLN 33 CO 0.03 -0.05 -0.08 0.00 -2.12 0.00 0.00 175.29 173.07 3kyi s ALA 34 N 0.94 0.73 -0.06 6.09 0.00 -0.29 -4.97 121.76 124.21 3kyi s ALA 34 Ca -0.09 -0.29 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 3kyi s ALA 34 Cb -0.15 -0.26 -0.30 0.00 0.00 0.00 0.00 23.12 22.41 3kyi s ALA 34 CO 0.00 0.13 0.64 0.00 0.00 0.00 0.00 175.76 176.53 3kyi h ALA 35 N 6.28 0.17 -1.19 0.00 0.00 -1.87 -2.57 119.26 120.08 3kyi h ALA 35 Ca -0.32 -1.15 -0.60 0.00 0.00 0.00 0.00 54.91 52.83 3kyi h ALA 35 Cb 1.17 0.47 -0.13 0.00 0.00 0.00 0.00 17.79 19.31 3kyi h ALA 35 CO 0.49 1.02 -0.54 0.54 0.00 0.00 0.00 179.25 180.76 3kyi s ASN 36 N -7.26 3.41 0.11 0.00 2.20 -1.26 -3.21 114.94 108.93 3kyi s ASN 36 Ca -0.17 -1.59 -0.20 0.00 -0.94 0.00 0.00 52.86 49.97 3kyi s ASN 36 Cb 0.05 0.31 -0.07 0.00 -2.00 0.00 0.00 41.25 39.55 3kyi s ASN 36 CO 0.84 -0.79 1.72 1.23 -2.94 0.00 0.00 177.10 177.15 3kyi h GLY 37 N 1.66 0.31 1.04 0.45 0.00 -1.94 -1.43 103.07 103.15 3kyi h GLY 37 Ca -0.41 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 3kyi h GLY 37 CO 0.69 0.13 0.16 -1.61 0.00 0.00 0.00 176.54 175.91 3kyi h GLN 38 N 0.24 1.05 -0.74 4.80 5.75 -2.00 -2.36 115.11 121.85 3kyi h GLN 38 Ca 0.08 -0.25 -0.04 0.00 -0.15 0.00 0.00 58.65 58.28 3kyi h GLN 38 Cb 0.05 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 3kyi h GLN 38 CO -0.01 0.94 0.29 1.49 -2.65 0.00 0.00 178.83 178.88 3kyi h GLU 39 N 0.97 1.10 0.00 1.69 4.81 -1.95 -2.25 114.58 118.95 3kyi h GLU 39 Ca 0.21 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3kyi h GLU 39 Cb 0.36 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3kyi h GLU 39 CO 0.00 0.89 -0.27 0.00 -0.73 0.00 0.00 179.01 178.91 3kyi h ALA 40 N 1.24 1.53 -0.08 2.92 0.00 -0.95 -2.17 119.26 121.74 3kyi h ALA 40 Ca 0.25 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3kyi h ALA 40 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kyi h ALA 40 CO -0.02 0.33 -0.31 -0.07 0.00 0.00 0.00 179.25 179.18 3kyi h LEU 41 N 0.00 0.42 -0.56 0.00 3.38 -0.92 -2.44 115.31 115.18 3kyi h LEU 41 Ca -0.00 -0.63 0.01 0.00 0.09 0.00 0.00 57.88 57.36 3kyi h LEU 41 Cb 0.48 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3kyi h LEU 41 CO 0.03 0.97 0.36 0.44 0.09 0.00 0.00 178.44 180.34 3kyi h ASP 42 N -0.11 0.61 -0.39 -0.43 3.32 -1.21 0.28 116.42 118.49 3kyi h ASP 42 Ca -0.02 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 3kyi h ASP 42 Cb 0.95 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 3kyi h ASP 42 CO 0.07 0.44 -0.24 0.11 -1.72 0.00 0.00 179.24 177.89 3kyi h LYS 43 N 0.73 0.91 -0.13 3.56 1.79 -1.48 -2.57 116.57 119.37 3kyi h LYS 43 Ca 0.21 -0.39 -0.11 0.00 -2.18 0.00 0.00 60.65 58.18 3kyi h LYS 43 Cb -0.05 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 3kyi h LYS 43 CO -0.07 1.04 -0.40 1.25 -1.08 0.00 0.00 179.45 180.20 3kyi h LEU 44 N 0.78 0.30 -0.81 2.94 5.85 -1.13 -2.08 115.31 121.16 3kyi h LEU 44 Ca 0.10 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 3kyi h LEU 44 Cb 0.80 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3kyi h LEU 44 CO 0.07 0.67 -0.57 0.00 -0.34 0.00 0.00 178.44 178.27 3kyi h ALA 45 N 1.34 1.01 -0.03 1.25 0.00 -0.82 -3.22 119.26 118.80 3kyi h ALA 45 Ca 0.02 -0.52 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 3kyi h ALA 45 Cb 0.81 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.53 3kyi h ALA 45 CO 0.06 0.71 -0.80 0.00 0.00 0.00 0.00 179.25 179.23 3kyi h ALA 46 N 1.37 0.13 -3.47 0.00 0.00 -1.19 -3.43 119.26 112.67 3kyi h ALA 46 Ca -0.00 -0.62 -0.68 0.00 0.00 0.00 0.00 54.91 53.60 3kyi h ALA 46 Cb 1.03 0.04 -0.35 0.00 0.00 0.00 0.00 17.79 18.50 3kyi h ALA 46 CO 0.08 0.53 -0.67 -0.65 0.00 0.00 0.00 179.25 178.53 3kyi s GLN 47 N -3.36 2.14 0.22 0.00 1.11 -0.81 -4.98 119.66 113.98 3kyi s GLN 47 Ca -0.11 -1.53 0.24 0.00 0.01 0.00 0.00 55.36 53.97 3kyi s GLN 47 Cb 0.06 -3.27 0.42 0.00 -1.01 0.00 0.00 33.01 29.21 3kyi s GLN 47 CO 0.87 -0.79 1.46 -1.00 0.01 0.00 0.00 175.29 175.84 3kyi h PRO 48 N 7.93 0.00 0.00 2.91 0.13 -1.84 -3.35 132.00 137.78 3kyi h PRO 48 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3kyi h PRO 48 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3kyi h PRO 48 CO 0.57 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.61 3kyi n ASN 49 N -2.42 0.00 -4.68 1.44 0.23 -1.26 -4.88 115.26 103.70 3kyi n ASN 49 Ca 0.04 -1.21 -0.42 0.00 -0.53 0.00 0.00 54.58 52.45 3kyi n ASN 49 Cb 0.47 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.14 3kyi n ASN 49 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3kyi s VAL 50 N -2.00 2.98 -0.15 3.53 1.01 -1.26 -4.46 120.40 120.06 3kyi s VAL 50 Ca 0.12 0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 3kyi s VAL 50 Cb 0.06 -3.17 -0.24 0.00 0.00 0.00 0.00 36.38 33.02 3kyi s VAL 50 CO 0.09 -0.01 0.24 0.47 0.00 0.00 0.00 175.10 175.89 3kyi n ASP 51 N 6.41 2.05 -3.96 3.32 8.00 0.14 -4.43 116.55 128.07 3kyi n ASP 51 Ca 0.18 0.14 -0.15 0.00 0.71 0.00 0.00 54.79 55.67 3kyi n ASP 51 Cb 0.40 -0.73 -0.14 0.00 -0.02 0.00 0.00 41.12 40.63 3kyi n ASP 51 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kyi s LEU 52 N -6.90 2.06 -0.20 0.64 2.96 -0.97 -2.01 118.68 114.26 3kyi s LEU 52 Ca -0.25 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3kyi s LEU 52 Cb 0.07 -0.21 0.02 0.00 0.50 0.00 0.00 46.19 46.58 3kyi s LEU 52 CO 0.73 0.00 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.96 3kyi s ILE 53 N -0.35 2.17 -0.69 6.68 1.01 -0.50 -1.58 121.20 127.94 3kyi s ILE 53 Ca -0.01 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 59.45 3kyi s ILE 53 Cb -0.03 -1.97 0.14 0.00 0.01 0.00 0.00 42.46 40.61 3kyi s ILE 53 CO -0.00 0.44 0.74 -0.76 0.00 0.00 0.00 174.94 175.36 3kyi s LEU 54 N 1.27 5.84 -0.11 2.97 1.43 0.17 -0.98 118.68 129.27 3kyi s LEU 54 Ca 0.03 -1.90 -0.09 0.00 -1.03 0.00 0.00 54.13 51.14 3kyi s LEU 54 Cb -0.14 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 3kyi s LEU 54 CO -0.11 -0.93 0.19 -0.22 0.23 0.00 0.00 176.35 175.51 3kyi s LEU 55 N 1.85 4.38 0.18 1.79 2.96 -0.09 -0.80 118.68 128.95 3kyi s LEU 55 Ca 0.15 0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 54.48 3kyi s LEU 55 Cb -0.19 -2.17 -0.07 0.00 0.50 0.00 0.00 46.19 44.27 3kyi s LEU 55 CO -0.00 0.36 0.51 0.21 -1.32 0.00 0.00 176.35 176.11 3kyi s ASN 56 N -0.85 6.66 0.11 3.68 3.04 -0.85 -1.25 114.94 125.47 3kyi s ASN 56 Ca 0.16 0.90 -0.33 0.00 0.04 0.00 0.00 52.86 53.63 3kyi s ASN 56 Cb -0.13 -2.22 -0.14 0.00 -1.54 0.00 0.00 41.25 37.23 3kyi s ASN 56 CO 0.05 0.02 1.54 0.40 -3.04 0.00 0.00 177.10 176.07 3kyi h ILE 57 N 2.34 0.00 -4.03 -5.21 1.08 -1.92 -3.45 117.51 106.33 3kyi h ILE 57 Ca -0.48 0.00 -0.52 0.00 -0.39 0.00 0.00 64.86 63.48 3kyi h ILE 57 Cb 1.18 0.00 -0.24 0.00 -3.07 0.00 0.00 36.82 34.69 3kyi h ILE 57 CO 0.68 0.00 -0.82 -1.61 -0.69 0.00 0.00 178.15 175.72 3kyi s GLU 58 N -5.66 1.11 0.15 2.37 2.02 -1.26 -5.05 118.70 112.37 3kyi s GLU 58 Ca -0.16 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 53.86 3kyi s GLU 58 Cb 0.06 -1.23 0.00 0.00 0.10 0.00 0.00 34.13 33.06 3kyi s GLU 58 CO 0.59 0.30 0.00 -1.33 0.02 0.00 0.00 175.26 174.84 3kyi n MET 59 N 1.53 0.00 0.00 1.61 2.81 -1.26 -4.77 117.12 117.04 3kyi n MET 59 Ca -0.19 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 3kyi n MET 59 Cb 0.54 -0.22 0.00 0.00 -0.71 0.00 0.00 33.22 32.83 3kyi n MET 59 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3kyi n GLU 66 N -3.26 0.00 -0.17 0.03 -0.58 -1.26 -4.99 120.64 110.40 3kyi n GLU 66 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 3kyi n GLU 66 Cb 0.06 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 30.97 3kyi n GLU 66 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 3kyi h PHE 67 N 0.00 1.11 -0.76 -0.32 3.57 -2.01 -3.15 116.94 115.37 3kyi h PHE 67 Ca 0.00 -0.23 0.17 0.00 3.53 0.00 0.00 57.97 61.44 3kyi h PHE 67 Cb 0.00 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.42 3kyi h PHE 67 CO 0.00 1.04 0.51 1.25 -2.23 0.00 0.00 178.31 178.88 3kyi h LEU 68 N 0.88 0.32 -0.10 0.59 6.46 -1.99 0.14 115.31 121.61 3kyi h LEU 68 Ca 0.13 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 3kyi h LEU 68 Cb 0.68 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.57 3kyi h LEU 68 CO 0.05 0.16 0.02 0.03 -0.62 0.00 0.00 178.44 178.07 3kyi h ARG 69 N 0.34 0.16 -0.12 1.25 3.08 -2.01 -3.00 114.38 114.08 3kyi h ARG 69 Ca 0.38 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 60.18 3kyi h ARG 69 Cb 0.98 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.02 3kyi h ARG 69 CO -0.11 0.37 -0.74 0.45 -1.07 0.00 0.00 179.97 178.87 3kyi h HIS 70 N -0.07 0.97 -0.48 3.04 3.86 -1.48 -3.36 115.15 117.63 3kyi h HIS 70 Ca 0.03 -0.45 0.04 0.00 -1.16 0.00 0.00 60.37 58.83 3kyi h HIS 70 Cb 0.29 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.57 3kyi h HIS 70 CO 0.02 1.27 0.24 0.00 0.86 0.00 0.00 177.93 180.32 3kyi h ALA 71 N 0.50 0.61 -0.01 2.45 0.00 -1.05 -2.89 119.26 118.87 3kyi h ALA 71 Ca -0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3kyi h ALA 71 Cb 1.38 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kyi h ALA 71 CO 0.15 -0.10 -0.11 0.87 0.00 0.00 0.00 179.25 180.06 3kyi h LYS 72 N 0.48 0.02 0.00 0.00 1.79 -1.66 0.82 116.57 118.02 3kyi h LYS 72 Ca 0.21 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 3kyi h LYS 72 Cb 0.11 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 3kyi h LYS 72 CO -0.14 0.12 0.00 -0.07 -1.08 0.00 0.00 179.45 178.28 3kyi h LEU 73 N 0.02 0.00 0.04 2.94 3.38 -1.66 -3.34 115.31 116.68 3kyi h LEU 73 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 3kyi h LEU 73 Cb 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3kyi h LEU 73 CO 0.01 0.00 -2.14 0.29 0.09 0.00 0.00 178.44 176.70 3kyi n LYS 74 N -3.06 0.65 -4.12 1.13 5.02 -0.65 -5.04 118.16 112.10 3kyi n LYS 74 Ca 0.03 0.28 -0.11 0.00 -2.02 0.00 0.00 58.31 56.50 3kyi n LYS 74 Cb 0.48 -1.61 -0.11 0.00 -0.02 0.00 0.00 35.03 33.78 3kyi n LYS 74 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3kyi s THR 75 N -2.50 0.61 -2.13 -0.18 -1.32 0.19 -5.05 115.64 105.26 3kyi s THR 75 Ca -0.31 -1.61 0.18 0.00 -1.21 0.00 0.00 61.69 58.74 3kyi s THR 75 Cb 0.09 -1.27 0.43 0.00 -1.51 0.00 0.00 72.50 70.25 3kyi s THR 75 CO 0.63 -0.70 1.41 0.54 -2.21 0.00 0.00 174.62 174.29 3kyi n ARG 76 N 0.53 2.09 -1.80 7.08 1.74 -1.26 -4.29 116.66 120.74 3kyi n ARG 76 Ca -0.16 -1.67 -0.40 0.00 -0.77 0.00 0.00 57.85 54.85 3kyi n ARG 76 Cb 0.58 -1.40 0.02 0.00 -1.02 0.00 0.00 32.46 30.64 3kyi n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kyi s ALA 77 N -1.48 3.23 -0.07 7.54 0.00 -1.26 -4.97 121.76 124.74 3kyi s ALA 77 Ca 0.33 1.46 -0.30 0.00 0.00 0.00 0.00 51.96 53.46 3kyi s ALA 77 Cb 0.18 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 3kyi s ALA 77 CO 0.24 -1.20 1.25 0.15 0.00 0.00 0.00 175.76 176.20 3kyi s LYS 78 N -2.47 4.31 -0.09 0.00 -0.14 -0.85 -4.84 119.74 115.66 3kyi s LYS 78 Ca 0.61 1.72 -0.15 0.00 -1.36 0.00 0.00 55.97 56.79 3kyi s LYS 78 Cb -0.44 -3.62 -0.05 0.00 -1.68 0.00 0.00 37.83 32.05 3kyi s LYS 78 CO 0.56 -0.53 0.37 0.42 -0.76 0.00 0.00 175.35 175.41 3kyi s ILE 79 N 2.58 5.18 -0.05 2.17 1.01 -1.26 -1.41 121.20 129.43 3kyi s ILE 79 Ca 0.57 0.74 0.03 0.00 0.00 0.00 0.00 60.65 61.98 3kyi s ILE 79 Cb -0.25 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.53 3kyi s ILE 79 CO 0.21 0.46 -0.11 0.00 0.00 0.00 0.00 174.94 175.50 3kyi s MET 81 N 0.42 3.95 -0.10 0.00 -1.94 -0.65 -0.91 119.30 120.08 3kyi s MET 81 Ca -0.09 0.62 0.02 0.00 -1.71 0.00 0.00 55.69 54.53 3kyi s MET 81 Cb -0.13 -2.43 0.02 0.00 2.01 0.00 0.00 34.83 34.30 3kyi s MET 81 CO 0.02 0.13 -0.14 -0.51 -0.01 0.00 0.00 175.02 174.51 3kyi s LEU 82 N -3.13 1.63 -0.03 -0.03 1.43 -0.38 -1.15 118.68 117.02 3kyi s LEU 82 Ca 0.53 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 3kyi s LEU 82 Cb -0.10 -1.00 0.01 0.00 0.03 0.00 0.00 46.19 45.12 3kyi s LEU 82 CO 0.20 0.00 -0.09 0.00 0.23 0.00 0.00 176.35 176.69 3kyi s ALA 83 N 1.02 0.89 -1.69 4.21 0.00 -1.14 -3.65 121.76 121.40 3kyi s ALA 83 Ca -0.07 -0.32 0.14 0.00 0.00 0.00 0.00 51.96 51.72 3kyi s ALA 83 Cb -0.15 -0.35 0.79 0.00 0.00 0.00 0.00 23.12 23.41 3kyi s ALA 83 CO -0.01 0.13 1.34 0.43 0.00 0.00 0.00 175.76 177.64 3kyi n SER 84 N 3.41 0.00 0.05 0.00 7.64 -1.26 -0.40 113.62 123.06 3kyi n SER 84 Ca -0.19 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.52 3kyi n SER 84 Cb 0.54 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 3kyi n SER 84 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3kyi n GLU 98 N -1.15 0.00 -3.04 1.43 2.13 -1.26 -4.92 120.64 113.83 3kyi n GLU 98 Ca 0.09 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.55 3kyi n GLU 98 Cb 0.08 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.73 3kyi n GLU 98 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 3kyi s LEU 99 N -5.65 4.32 0.00 4.31 0.05 -1.26 -4.54 118.68 115.91 3kyi s LEU 99 Ca 0.00 1.49 0.00 0.00 0.05 0.00 0.00 54.13 55.67 3kyi s LEU 99 Cb 0.00 -3.70 0.00 0.00 -2.05 0.00 0.00 46.19 40.44 3kyi s LEU 99 CO 0.00 -0.00 0.00 0.61 -0.55 0.00 0.00 176.35 176.41 3kyi n GLY 100 N 0.62 2.35 3.82 -3.48 0.00 -1.26 -5.08 105.19 102.16 3kyi n GLY 100 Ca -0.01 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 3kyi n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyi s ALA 101 N 0.00 2.70 0.01 4.61 0.00 -1.26 -5.02 121.76 122.80 3kyi s ALA 101 Ca 0.00 0.12 -0.22 0.00 0.00 0.00 0.00 51.96 51.86 3kyi s ALA 101 Cb 0.00 -3.18 -0.18 0.00 0.00 0.00 0.00 23.12 19.76 3kyi s ALA 101 CO 0.00 -1.16 1.27 -0.44 0.00 0.00 0.00 175.76 175.43 3kyi h ASP 102 N -0.57 0.25 -4.43 0.00 3.32 -1.59 -3.48 116.42 109.93 3kyi h ASP 102 Ca -0.44 -0.53 -0.37 0.00 0.02 0.00 0.00 57.03 55.71 3kyi h ASP 102 Cb 1.21 -0.07 -0.14 0.00 0.22 0.00 0.00 39.33 40.55 3kyi h ASP 102 CO 0.57 0.73 -0.61 -0.83 -1.72 0.00 0.00 179.24 177.39 3kyi s GLY 103 N -3.44 1.81 -0.04 2.75 0.00 -1.22 -5.07 107.32 102.09 3kyi s GLY 103 Ca -0.15 -1.85 -0.01 0.00 0.00 0.00 0.00 44.72 42.71 3kyi s GLY 103 CO 0.73 -1.61 0.02 0.54 0.00 0.00 0.00 173.10 172.78 3kyi s VAL 104 N -3.71 0.16 0.01 1.40 0.11 -1.26 -1.63 120.40 115.48 3kyi s VAL 104 Ca 0.37 0.19 0.07 0.00 -2.93 0.00 0.00 61.98 59.68 3kyi s VAL 104 Cb 0.07 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.59 3kyi s VAL 104 CO 0.14 0.19 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.19 3kyi s VAL 105 N 1.60 1.78 0.37 2.04 1.01 -0.30 -4.96 120.40 121.94 3kyi s VAL 105 Ca -0.02 -1.09 -0.25 0.00 0.00 0.00 0.00 61.98 60.62 3kyi s VAL 105 Cb -0.13 -1.50 -0.09 0.00 0.00 0.00 0.00 36.38 34.66 3kyi s VAL 105 CO -0.03 0.38 1.03 0.00 0.00 0.00 0.00 175.10 176.48 3kyi s ALA 106 N -0.65 3.14 0.24 5.51 0.00 -1.26 -2.87 121.76 125.87 3kyi s ALA 106 Ca 0.09 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 52.42 3kyi s ALA 106 Cb -0.09 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 3kyi s ALA 106 CO 0.00 -0.12 1.48 0.15 0.00 0.00 0.00 175.76 177.28 3kyi s LYS 107 N -2.32 4.24 0.75 0.00 1.02 0.47 -4.81 119.74 119.08 3kyi s LYS 107 Ca 0.55 2.35 -0.13 0.00 0.02 0.00 0.00 55.97 58.76 3kyi s LYS 107 Cb -0.22 -3.10 0.05 0.00 -0.52 0.00 0.00 37.83 34.04 3kyi s LYS 107 CO 0.28 -0.48 1.15 -1.25 -0.92 0.00 0.00 175.35 174.13 3kyi s PRO 108 N -0.16 2.14 -0.04 -1.68 0.04 -1.26 -4.91 135.00 129.13 3kyi s PRO 108 Ca 0.62 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.20 3kyi s PRO 108 Cb -0.43 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.28 3kyi s PRO 108 CO 0.42 -1.79 -0.01 -1.54 0.04 0.00 0.00 177.00 174.12 3kyi s SER 109 N -2.48 0.81 -0.93 6.66 1.04 -1.26 -5.15 113.70 112.39 3kyi s SER 109 Ca 0.69 -0.06 -0.24 0.00 0.48 0.00 0.00 55.95 56.82 3kyi s SER 109 Cb -0.24 -0.32 0.03 0.00 0.10 0.00 0.00 66.02 65.59 3kyi s SER 109 CO 0.48 -0.11 1.51 -0.83 0.98 0.00 0.00 173.24 175.27 3kyi s GLY 110 N 1.20 0.98 0.00 7.32 0.00 -1.26 -5.18 107.32 110.38 3kyi s GLY 110 Ca -0.07 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.75 3kyi s GLY 110 CO -0.02 2.83 0.00 0.61 0.00 0.00 0.00 173.10 176.52 3kyi n GLY 122 N 6.53 3.32 0.26 0.20 0.00 -1.26 -5.38 105.19 108.87 3kyi n GLY 122 Ca 0.27 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 3kyi n GLY 122 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kyi h GLU 123 N 0.00 0.78 -0.61 1.61 4.22 -2.02 -3.17 114.58 115.38 3kyi h GLU 123 Ca 0.00 -0.31 -0.01 0.00 0.08 0.00 0.00 59.36 59.12 3kyi h GLU 123 Cb 0.00 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3kyi h GLU 123 CO 0.00 0.93 0.36 1.25 -2.18 0.00 0.00 179.01 179.37 3kyi h LEU 124 N 0.68 0.75 -1.26 1.64 5.85 -2.01 -3.04 115.31 117.93 3kyi h LEU 124 Ca 0.09 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.87 3kyi h LEU 124 Cb 0.73 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 3kyi h LEU 124 CO 0.06 0.60 0.57 0.00 -0.34 0.00 0.00 178.44 179.33 3kyi h ALA 125 N 1.18 1.75 0.35 1.25 0.00 -1.98 -0.89 119.26 120.92 3kyi h ALA 125 Ca 0.22 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3kyi h ALA 125 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3kyi h ALA 125 CO -0.04 0.03 -0.17 0.00 0.00 0.00 0.00 179.25 179.07 3kyi h ARG 126 N 0.76 -0.46 0.00 0.00 3.08 -1.62 -2.66 114.38 113.49 3kyi h ARG 126 Ca 0.43 0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.46 3kyi h ARG 126 Cb 0.59 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3kyi h ARG 126 CO -0.19 -0.16 -0.26 0.00 -1.07 0.00 0.00 179.97 178.28 3kyi h THR 127 N -0.74 0.78 -0.37 2.04 1.03 -1.54 -2.02 112.91 112.09 3kyi h THR 127 Ca -0.05 -1.09 -0.15 0.00 -0.01 0.00 0.00 66.41 65.11 3kyi h THR 127 Cb 0.51 1.67 -0.01 0.00 -1.07 0.00 0.00 68.15 69.25 3kyi h THR 127 CO 0.08 0.26 -0.36 0.24 -0.01 0.00 0.00 175.52 175.73 3kyi h MET 128 N 0.00 0.90 -0.28 0.00 2.86 -1.19 -2.89 114.93 114.33 3kyi h MET 128 Ca -0.00 -0.47 -0.17 0.00 -2.06 0.00 0.00 59.70 57.00 3kyi h MET 128 Cb 0.65 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.33 3kyi h MET 128 CO 0.03 1.12 -0.49 0.00 1.06 0.00 0.00 176.91 178.63 3kyi h ARG 129 N 0.70 0.82 -0.40 1.72 3.08 -1.24 -3.10 114.38 115.96 3kyi h ARG 129 Ca 0.06 -0.51 -0.07 0.00 0.07 0.00 0.00 59.98 59.52 3kyi h ARG 129 Cb 0.95 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 3kyi h ARG 129 CO 0.09 1.15 -0.05 1.79 -1.07 0.00 0.00 179.97 181.88 3kyi h THR 130 N 0.59 1.24 -0.36 2.04 1.35 -1.41 -2.34 112.91 114.01 3kyi h THR 130 Ca 0.02 -1.00 -0.14 0.00 -0.55 0.00 0.00 66.41 64.73 3kyi h THR 130 Cb 1.10 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 3kyi h THR 130 CO 0.11 0.34 -0.35 -0.07 -0.25 0.00 0.00 175.52 175.31 3kyi h LEU 131 N 0.63 0.88 -0.66 3.87 3.38 -1.56 -3.02 115.31 118.82 3kyi h LEU 131 Ca 0.12 -0.38 -0.12 0.00 0.09 0.00 0.00 57.88 57.59 3kyi h LEU 131 Cb 0.46 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3kyi h LEU 131 CO 0.02 1.14 -0.59 0.24 0.09 0.00 0.00 178.44 179.34 3kyi h MET 132 N 0.69 0.00 -0.15 1.13 2.86 -1.45 -3.23 114.93 114.79 3kyi h MET 132 Ca 0.07 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.55 3kyi h MET 132 Cb 0.90 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 3kyi h MET 132 CO 0.08 0.59 -0.58 0.00 1.06 0.00 0.00 176.91 178.06 3kyi h ALA 133 N 1.41 0.72 -0.01 6.32 0.00 -1.40 -3.52 119.26 122.78 3kyi h ALA 133 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3kyi h ALA 133 Cb 1.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3kyi h ALA 133 CO 0.08 0.70 0.00 0.00 0.00 0.00 0.00 179.25 180.03