#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kui h ARG 4 N 0.00 0.00 -6.58 -1.09 2.43 -1.96 -3.45 114.38 103.72 1kui h ARG 4 Ca 0.00 0.00 -0.65 0.00 -0.81 0.00 0.00 59.98 58.52 1kui h ARG 4 Cb 0.00 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 29.37 1kui h ARG 4 CO 0.00 0.67 -0.81 -0.06 -1.51 0.00 0.00 179.97 178.27 1kui s PHE 5 N -3.42 2.35 0.64 2.20 0.40 -1.26 -5.13 117.98 113.76 1kui s PHE 5 Ca -0.01 -0.34 -0.13 0.00 -0.60 0.00 0.00 56.93 55.86 1kui s PHE 5 Cb 0.12 -1.16 -0.02 0.00 0.51 0.00 0.00 43.02 42.47 1kui s PHE 5 CO 0.77 0.50 1.05 -1.25 0.70 0.00 0.00 175.22 176.99 1kui s PRO 6 N -2.70 3.19 0.24 0.24 0.04 -1.26 -4.80 135.00 129.94 1kui s PRO 6 Ca 0.21 1.04 -0.31 0.00 0.04 0.00 0.00 61.00 61.98 1kui s PRO 6 Cb -0.08 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 1kui s PRO 6 CO 0.11 -0.90 1.64 -1.14 0.04 0.00 0.00 177.00 176.74 1kui s GLN 7 N -4.62 4.14 0.17 4.56 2.00 -1.26 -4.82 119.66 119.83 1kui s GLN 7 Ca 0.60 2.56 0.01 0.00 -2.00 0.00 0.00 55.36 56.53 1kui s GLN 7 Cb -0.14 -3.06 -0.04 0.00 0.80 0.00 0.00 33.01 30.56 1kui s GLN 7 CO 0.46 -0.68 0.04 1.03 -0.50 0.00 0.00 175.29 175.65 1kui s ARG 8 N 0.40 1.09 -0.02 1.67 1.81 -0.84 -4.91 118.95 118.15 1kui s ARG 8 Ca 0.69 -1.53 0.00 0.00 -1.72 0.00 0.00 55.73 53.16 1kui s ARG 8 Cb -0.48 -0.07 0.02 0.00 -0.45 0.00 0.00 34.95 33.97 1kui s ARG 8 CO 0.39 -0.21 0.02 0.71 -0.68 0.00 0.00 175.30 175.54 1kui s TYR 9 N -3.82 0.06 -0.20 -0.53 1.51 0.16 -1.48 117.35 113.04 1kui s TYR 9 Ca 0.26 0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.43 1kui s TYR 9 Cb 0.07 -0.21 0.03 0.00 -0.11 0.00 0.00 41.96 41.74 1kui s TYR 9 CO 0.05 -0.08 -0.15 0.42 -1.11 0.00 0.00 175.55 174.68 1kui s ILE 10 N 0.87 1.91 -0.40 2.71 1.01 -0.33 -4.26 121.20 122.71 1kui s ILE 10 Ca -0.07 -1.06 -0.19 0.00 0.00 0.00 0.00 60.65 59.32 1kui s ILE 10 Cb -0.11 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.52 1kui s ILE 10 CO -0.02 0.31 0.56 -1.61 0.00 0.00 0.00 174.94 174.18 1kui s GLU 11 N 1.30 3.36 0.10 2.79 8.01 -1.26 -1.72 118.70 131.28 1kui s GLU 11 Ca 0.00 -0.38 -0.13 0.00 0.01 0.00 0.00 54.97 54.48 1kui s GLU 11 Cb -0.15 -3.91 -0.06 0.00 -4.31 0.00 0.00 34.13 25.70 1kui s GLU 11 CO -0.10 -0.85 0.47 -0.51 0.01 0.00 0.00 175.26 174.28 1kui s LEU 12 N 2.53 4.37 -0.11 1.80 1.43 0.71 -0.69 118.68 128.72 1kui s LEU 12 Ca 0.19 0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 54.24 1kui s LEU 12 Cb -0.15 -3.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.00 1kui s LEU 12 CO 0.16 0.17 -0.08 0.00 0.23 0.00 0.00 176.35 176.83 1kui s ALA 13 N -1.37 2.87 -0.12 4.21 0.00 -0.11 -0.00 121.76 127.23 1kui s ALA 13 Ca 0.34 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.46 1kui s ALA 13 Cb -0.15 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.65 1kui s ALA 13 CO 0.18 0.36 -0.22 0.42 0.00 0.00 0.00 175.76 176.50 1kui s ILE 14 N -0.07 1.98 -0.17 0.00 -1.09 -0.09 -1.13 121.20 120.63 1kui s ILE 14 Ca -0.00 -0.95 -0.02 0.00 -2.23 0.00 0.00 60.65 57.45 1kui s ILE 14 Cb -0.13 -1.73 -0.01 0.00 -1.58 0.00 0.00 42.46 39.00 1kui s ILE 14 CO 0.03 0.54 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.49 1kui s VAL 15 N 0.61 3.20 -0.28 2.92 1.01 -0.09 -1.09 120.40 126.67 1kui s VAL 15 Ca -0.13 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1kui s VAL 15 Cb -0.17 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1kui s VAL 15 CO 0.03 0.49 0.12 -0.69 0.00 0.00 0.00 175.10 175.05 1kui s VAL 16 N 0.78 4.51 1.01 2.92 1.01 0.19 -0.36 120.40 130.46 1kui s VAL 16 Ca -0.04 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 1kui s VAL 16 Cb -0.15 -3.20 0.20 0.00 0.00 0.00 0.00 36.38 33.23 1kui s VAL 16 CO 0.01 0.21 1.20 1.51 0.00 0.00 0.00 175.10 178.04 1kui s ASP 17 N 1.62 2.68 0.29 3.32 3.84 -0.79 -0.54 116.67 127.10 1kui s ASP 17 Ca 0.06 0.59 0.01 0.00 -0.00 0.00 0.00 52.55 53.21 1kui s ASP 17 Cb -0.16 -0.87 0.44 0.00 -1.38 0.00 0.00 42.92 40.95 1kui s ASP 17 CO 0.05 -3.03 1.80 -0.74 -0.00 0.00 0.00 175.17 173.25 1kui h HIS 18 N -1.84 0.71 -0.60 2.11 -0.00 -1.86 -0.81 115.15 112.86 1kui h HIS 18 Ca -0.46 -0.09 -0.03 0.00 -0.00 0.00 0.00 60.37 59.78 1kui h HIS 18 Cb 1.28 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 28.47 1kui h HIS 18 CO -0.94 0.68 0.25 0.78 -0.00 0.00 0.00 177.93 178.70 1kui h GLY 19 N 0.93 0.96 1.31 5.26 0.00 -1.93 -0.61 103.07 108.99 1kui h GLY 19 Ca 0.13 -0.51 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 1kui h GLY 19 CO 0.02 0.48 -0.28 1.98 0.00 0.00 0.00 176.54 178.74 1kui h MET 20 N 0.83 0.78 -0.67 4.80 -1.53 -1.81 -0.73 114.93 116.60 1kui h MET 20 Ca 0.20 -0.35 0.04 0.00 -3.44 0.00 0.00 59.70 56.15 1kui h MET 20 Cb 0.19 -0.02 -0.05 0.00 -0.55 0.00 0.00 31.60 31.17 1kui h MET 20 CO -0.02 0.97 0.40 -0.92 0.14 0.00 0.00 176.91 177.48 1kui h TYR 21 N 0.67 0.75 -0.47 1.39 3.20 -0.85 -2.00 116.97 119.66 1kui h TYR 21 Ca 0.08 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 1kui h TYR 21 Cb 0.81 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1kui h TYR 21 CO 0.04 0.41 -0.04 1.15 -1.64 0.00 0.00 178.16 178.08 1kui h THR 22 N 0.78 1.27 -0.86 1.81 2.02 -0.86 0.14 112.91 117.20 1kui h THR 22 Ca 0.28 -1.14 0.12 0.00 0.77 0.00 0.00 66.41 66.44 1kui h THR 22 Cb 0.07 1.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.44 1kui h THR 22 CO -0.13 0.39 0.49 0.50 0.37 0.00 0.00 175.52 177.14 1kui h LYS 23 N 0.72 0.74 -1.20 6.66 3.64 -0.68 -1.33 116.57 125.12 1kui h LYS 23 Ca 0.13 -0.04 -0.35 0.00 -1.27 0.00 0.00 60.65 59.12 1kui h LYS 23 Cb 0.57 -0.17 -0.17 0.00 -0.41 0.00 0.00 32.23 32.05 1kui h LYS 23 CO 0.03 0.49 0.45 0.66 -2.27 0.00 0.00 179.45 178.81 1kui n TYR 24 N -4.77 1.84 -2.30 1.91 4.01 -0.79 -4.85 117.16 112.20 1kui n TYR 24 Ca 0.16 -1.72 -0.21 0.00 -0.16 0.00 0.00 57.90 55.97 1kui n TYR 24 Cb 0.35 -0.85 -0.02 0.00 -0.31 0.00 0.00 39.34 38.51 1kui n TYR 24 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1kui n SER 25 N -0.19 -5.84 -2.76 7.72 7.64 -0.50 -2.38 113.62 117.30 1kui n SER 25 Ca 0.36 0.06 -0.18 0.00 1.01 0.00 0.00 58.87 60.11 1kui n SER 25 Cb 0.90 -4.90 0.00 0.00 -1.01 0.00 0.00 64.21 59.20 1kui n SER 25 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1kui n SER 26 N -1.93 -4.62 -4.33 6.43 7.64 0.02 -4.91 113.62 111.93 1kui n SER 26 Ca -0.24 -0.07 -0.46 0.00 1.01 0.00 0.00 58.87 59.11 1kui n SER 26 Cb 0.69 -3.84 -0.03 0.00 -1.01 0.00 0.00 64.21 60.02 1kui n SER 26 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1kui s ASN 27 N -2.32 6.52 0.22 6.43 3.04 -1.00 -4.96 114.94 122.87 1kui s ASN 27 Ca 0.15 -2.30 -0.08 0.00 0.04 0.00 0.00 52.86 50.68 1kui s ASN 27 Cb -0.07 -2.22 0.33 0.00 -1.54 0.00 0.00 41.25 37.75 1kui s ASN 27 CO 0.19 -0.71 1.75 0.15 -3.04 0.00 0.00 177.10 175.44 1kui h PHE 28 N 8.27 0.49 -0.58 0.43 3.57 -1.91 -1.66 116.94 125.55 1kui h PHE 28 Ca -0.06 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1kui h PHE 28 Cb 1.06 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 1kui h PHE 28 CO 0.91 0.13 0.14 0.87 -2.23 0.00 0.00 178.31 178.13 1kui h LYS 29 N 0.47 0.90 -0.39 1.11 1.57 -1.98 0.53 116.57 118.77 1kui h LYS 29 Ca 0.34 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1kui h LYS 29 Cb 0.42 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1kui h LYS 29 CO -0.32 0.81 0.10 -0.22 -0.57 0.00 0.00 179.45 179.25 1kui h LYS 30 N 0.86 0.63 -0.14 3.15 3.64 -1.78 -1.58 116.57 121.35 1kui h LYS 30 Ca 0.19 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1kui h LYS 30 Cb 0.32 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1kui h LYS 30 CO -0.00 0.65 0.08 0.82 -2.27 0.00 0.00 179.45 178.72 1kui h ILE 31 N 0.49 1.10 -0.89 2.00 2.04 -1.02 -1.54 117.51 119.69 1kui h ILE 31 Ca 0.12 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.74 1kui h ILE 31 Cb 0.30 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 1kui h ILE 31 CO 0.00 0.10 0.57 -0.09 0.00 0.00 0.00 178.15 178.73 1kui h ARG 32 N 0.12 1.06 -0.48 2.37 2.43 -0.71 0.07 114.38 119.24 1kui h ARG 32 Ca 0.05 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1kui h ARG 32 Cb 0.09 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1kui h ARG 32 CO -0.01 0.70 0.25 -0.22 -1.51 0.00 0.00 179.97 179.18 1kui h LYS 33 N 1.09 0.67 -0.48 0.20 3.64 -1.10 0.14 116.57 120.73 1kui h LYS 33 Ca 0.36 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1kui h LYS 33 Cb 0.05 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1kui h LYS 33 CO -0.13 0.54 0.18 -0.09 -2.27 0.00 0.00 179.45 177.67 1kui h ARG 34 N 0.63 0.73 -0.72 1.90 2.43 -0.54 -1.01 114.38 117.80 1kui h ARG 34 Ca 0.17 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1kui h ARG 34 Cb 0.07 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1kui h ARG 34 CO -0.02 0.67 0.33 0.28 -1.51 0.00 0.00 179.97 179.71 1kui h VAL 35 N 0.64 1.24 -0.75 0.20 2.07 -0.77 -0.65 116.25 118.23 1kui h VAL 35 Ca 0.16 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1kui h VAL 35 Cb 0.22 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1kui h VAL 35 CO -0.01 0.29 0.36 0.45 0.02 0.00 0.00 177.57 178.68 1kui h HIS 36 N 1.02 1.09 -0.33 1.57 3.86 -0.68 -0.55 115.15 121.13 1kui h HIS 36 Ca 0.25 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.35 1kui h HIS 36 Cb 0.15 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 1kui h HIS 36 CO 0.01 0.80 -0.01 0.37 0.86 0.00 0.00 177.93 179.96 1kui h GLN 37 N 1.06 0.51 -0.11 2.45 4.15 -0.64 -0.02 115.11 122.51 1kui h GLN 37 Ca 0.26 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 1kui h GLN 37 Cb 0.12 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 1kui h GLN 37 CO -0.03 0.54 0.03 0.52 -1.93 0.00 0.00 178.83 177.96 1kui h MET 38 N 0.49 0.17 -0.81 1.69 2.86 -0.49 -2.65 114.93 116.19 1kui h MET 38 Ca 0.11 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1kui h MET 38 Cb 0.33 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 1kui h MET 38 CO 0.01 0.35 0.54 0.28 1.06 0.00 0.00 176.91 179.14 1kui h VAL 39 N -0.03 1.19 -0.41 -2.22 2.07 -0.65 -0.07 116.25 116.13 1kui h VAL 39 Ca 0.03 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.21 1kui h VAL 39 Cb 0.25 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1kui h VAL 39 CO 0.00 0.20 0.27 0.28 0.02 0.00 0.00 177.57 178.34 1kui h SER 40 N 1.08 0.37 -0.09 0.57 0.02 -0.90 0.11 113.55 114.71 1kui h SER 40 Ca 0.30 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.06 1kui h SER 40 Cb -0.10 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.36 1kui h SER 40 CO -0.07 0.25 -0.66 0.78 -1.14 0.00 0.00 176.83 175.99 1kui h ASN 41 N 0.43 0.74 -0.67 3.07 2.35 -0.89 -1.53 115.58 119.08 1kui h ASN 41 Ca 0.17 -0.66 0.02 0.00 -0.55 0.00 0.00 56.30 55.27 1kui h ASN 41 Cb 0.14 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 1kui h ASN 41 CO -0.04 1.29 0.43 0.40 -1.65 0.00 0.00 177.43 177.86 1kui h ILE 42 N 0.24 1.13 -0.58 2.81 2.04 -0.46 -0.51 117.51 122.19 1kui h ILE 42 Ca -0.06 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1kui h ILE 42 Cb 1.31 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1kui h ILE 42 CO 0.13 0.16 0.35 -1.13 0.00 0.00 0.00 178.15 177.66 1kui h ASN 43 N 0.86 0.69 -0.82 1.72 -1.24 -0.75 -1.11 115.58 114.93 1kui h ASN 43 Ca 0.26 -0.06 -0.04 0.00 0.71 0.00 0.00 56.30 57.17 1kui h ASN 43 Cb -0.04 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 38.79 1kui h ASN 43 CO -0.08 0.55 0.35 -0.08 -1.29 0.00 0.00 177.43 176.88 1kui h GLU 44 N 0.78 1.21 0.00 6.67 4.57 -0.80 -2.19 114.58 124.82 1kui h GLU 44 Ca 0.21 -0.20 -0.08 0.00 -1.18 0.00 0.00 59.36 58.11 1kui h GLU 44 Cb -0.02 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.35 1kui h GLU 44 CO -0.04 0.96 -0.37 0.52 -1.18 0.00 0.00 179.01 178.90 1kui h MET 45 N 1.19 0.00 -0.01 1.92 2.86 -0.64 -2.41 114.93 117.83 1kui h MET 45 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1kui h MET 45 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1kui h MET 45 CO -0.03 0.37 -0.07 0.00 1.06 0.00 0.00 176.91 178.24 1kui h ARG 47 N 1.87 0.66 0.00 0.00 2.43 -0.87 -0.18 114.38 118.30 1kui h ARG 47 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1kui h ARG 47 Cb 0.47 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1kui h ARG 47 CO 0.00 0.44 0.00 -2.30 -1.51 0.00 0.00 179.97 176.60 1kui n PRO 48 N -4.77 0.11 -0.02 0.20 -0.02 -1.26 -1.23 135.00 128.00 1kui n PRO 48 Ca 0.06 0.20 0.12 0.00 -2.02 0.00 0.00 63.50 61.86 1kui n PRO 48 Cb 0.11 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.28 1kui n PRO 48 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1kui n LEU 49 N -1.39 2.75 -3.37 2.45 4.77 -0.10 -4.82 117.00 117.29 1kui n LEU 49 Ca 0.05 -0.96 -0.23 0.00 -0.03 0.00 0.00 56.01 54.85 1kui n LEU 49 Cb 0.14 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.27 1kui n LEU 49 CO 0.12 0.48 0.21 -3.20 -1.33 0.00 0.00 177.39 173.67 1kui n ASN 50 N 1.13 -6.14 -4.28 -1.43 5.15 -0.36 -4.71 115.26 104.61 1kui n ASN 50 Ca 0.16 -0.49 -0.34 0.00 -0.60 0.00 0.00 54.58 53.31 1kui n ASN 50 Cb 0.55 -4.78 -0.15 0.00 -0.53 0.00 0.00 39.78 34.87 1kui n ASN 50 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1kui s ILE 51 N -3.29 3.01 -0.18 -1.44 1.01 -1.11 -1.98 121.20 117.22 1kui s ILE 51 Ca 0.53 -0.63 -0.22 0.00 0.00 0.00 0.00 60.65 60.33 1kui s ILE 51 Cb -0.23 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 1kui s ILE 51 CO 0.65 0.47 0.68 0.00 0.00 0.00 0.00 174.94 176.74 1kui s ALA 52 N 1.20 3.52 -0.23 9.38 0.00 -0.55 -4.41 121.76 130.67 1kui s ALA 52 Ca 0.02 -0.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.75 1kui s ALA 52 Cb -0.14 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 1kui s ALA 52 CO -0.04 -0.52 0.04 0.42 0.00 0.00 0.00 175.76 175.67 1kui s ILE 53 N 1.82 4.18 0.22 0.00 -1.09 -1.26 -1.18 121.20 123.88 1kui s ILE 53 Ca 0.31 -0.23 0.10 0.00 -2.23 0.00 0.00 60.65 58.61 1kui s ILE 53 Cb -0.16 -2.92 -0.05 0.00 -1.58 0.00 0.00 42.46 37.75 1kui s ILE 53 CO 0.11 0.38 -0.19 0.42 -1.23 0.00 0.00 174.94 174.44 1kui s THR 54 N 1.30 2.13 -0.51 2.92 -4.23 -0.70 -4.80 115.64 111.76 1kui s THR 54 Ca 0.04 -2.19 -0.15 0.00 -1.18 0.00 0.00 61.69 58.21 1kui s THR 54 Cb -0.15 -2.11 0.11 0.00 1.34 0.00 0.00 72.50 71.70 1kui s THR 54 CO 0.02 -0.38 0.45 -0.22 -0.54 0.00 0.00 174.62 173.95 1kui s LEU 55 N -3.14 5.95 0.14 4.79 2.96 -1.26 -0.21 118.68 127.91 1kui s LEU 55 Ca 0.23 -1.67 0.07 0.00 -0.22 0.00 0.00 54.13 52.54 1kui s LEU 55 Cb -0.05 -2.17 -0.12 0.00 0.50 0.00 0.00 46.19 44.36 1kui s LEU 55 CO 0.10 -0.77 1.33 0.00 -1.32 0.00 0.00 176.35 175.69 1kui h ALA 56 N 8.79 0.44 -2.24 5.97 0.00 -0.73 -3.47 119.26 128.02 1kui h ALA 56 Ca -0.28 -0.85 -0.05 0.00 0.00 0.00 0.00 54.91 53.73 1kui h ALA 56 Cb 1.10 -0.14 -0.22 0.00 0.00 0.00 0.00 17.79 18.53 1kui h ALA 56 CO 0.97 1.15 -0.03 -1.17 0.00 0.00 0.00 179.25 180.16 1kui s LEU 57 N -6.91 -0.46 -0.13 0.00 2.96 -1.04 -5.01 118.68 108.09 1kui s LEU 57 Ca 0.00 1.26 0.01 0.00 -0.22 0.00 0.00 54.13 55.19 1kui s LEU 57 Cb 0.10 2.08 0.02 0.00 0.50 0.00 0.00 46.19 48.89 1kui s LEU 57 CO 0.81 -0.22 -0.16 -0.22 -1.32 0.00 0.00 176.35 175.24 1kui s LEU 58 N 0.79 1.81 -0.15 -0.68 2.96 -1.26 -0.92 118.68 121.22 1kui s LEU 58 Ca -0.04 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1kui s LEU 58 Cb -0.05 -1.21 0.02 0.00 0.50 0.00 0.00 46.19 45.45 1kui s LEU 58 CO -0.06 0.00 -0.16 -0.62 -1.32 0.00 0.00 176.35 174.19 1kui s ASP 59 N 1.16 2.79 -0.22 3.68 2.15 -0.25 -5.00 116.67 120.97 1kui s ASP 59 Ca -0.02 -0.53 -0.05 0.00 0.43 0.00 0.00 52.55 52.39 1kui s ASP 59 Cb -0.14 -1.26 -0.01 0.00 -0.30 0.00 0.00 42.92 41.21 1kui s ASP 59 CO -0.06 -0.03 -0.02 -0.69 -0.17 0.00 0.00 175.17 174.20 1kui s VAL 60 N 1.39 3.60 -1.30 1.11 1.01 -1.26 -0.64 120.40 124.31 1kui s VAL 60 Ca 0.04 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 1kui s VAL 60 Cb -0.13 -2.65 0.09 0.00 0.00 0.00 0.00 36.38 33.69 1kui s VAL 60 CO -0.10 0.41 1.73 0.79 0.00 0.00 0.00 175.10 177.93 1kui n TRP 61 N 4.78 4.56 1.01 5.22 8.01 0.30 -4.77 117.44 136.54 1kui n TRP 61 Ca -0.18 -2.96 0.12 0.00 -1.31 0.00 0.00 57.50 53.17 1kui n TRP 61 Cb 0.51 -2.52 0.57 0.00 -2.01 0.00 0.00 31.31 27.86 1kui n TRP 61 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 1kui n SER 62 N 7.46 0.00 -0.03 -0.99 3.41 -1.26 -3.48 113.62 118.73 1kui n SER 62 Ca 0.47 0.16 -0.08 0.00 -0.26 0.00 0.00 58.87 59.15 1kui n SER 62 Cb 0.44 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1kui n SER 62 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1kui n GLU 63 N -1.37 0.19 -3.47 4.33 1.02 -1.26 -5.07 120.64 115.01 1kui n GLU 63 Ca 0.09 0.08 -0.11 0.00 -0.02 0.00 0.00 57.16 57.20 1kui n GLU 63 Cb 0.22 -0.82 -0.02 0.00 -0.02 0.00 0.00 31.44 30.81 1kui n GLU 63 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1kui s LYS 64 N -2.19 1.24 0.13 3.49 -2.85 -1.26 -5.06 119.74 113.24 1kui s LYS 64 Ca -0.12 -0.48 -0.30 0.00 -1.00 0.00 0.00 55.97 54.07 1kui s LYS 64 Cb 0.04 0.55 -0.07 0.00 -2.06 0.00 0.00 37.83 36.30 1kui s LYS 64 CO 0.15 -0.54 1.07 -0.51 0.10 0.00 0.00 175.35 175.62 1kui s ASP 65 N -2.72 7.31 0.00 0.03 -0.00 -1.26 -4.77 116.67 115.26 1kui s ASP 65 Ca 0.02 1.98 0.27 0.00 -0.00 0.00 0.00 52.55 54.82 1kui s ASP 65 Cb -0.01 -2.59 0.87 0.00 -0.00 0.00 0.00 42.92 41.18 1kui s ASP 65 CO -0.11 -0.21 1.64 0.49 -0.00 0.00 0.00 175.17 176.98 1kui n PHE 66 N 2.77 0.00 -4.13 4.23 3.01 -1.26 -4.86 117.46 117.22 1kui n PHE 66 Ca 0.04 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.39 1kui n PHE 66 Cb 0.47 -0.16 -0.09 0.00 -0.01 0.00 0.00 39.48 39.69 1kui n PHE 66 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1kui s ILE 67 N -2.55 0.07 -0.63 4.37 -4.36 -1.26 -5.07 121.20 111.77 1kui s ILE 67 Ca 0.24 -1.83 -0.24 0.00 -0.26 0.00 0.00 60.65 58.56 1kui s ILE 67 Cb 0.19 -2.13 0.06 0.00 1.25 0.00 0.00 42.46 41.83 1kui s ILE 67 CO 0.52 -0.31 0.99 -0.89 0.24 0.00 0.00 174.94 175.50 1kui s THR 68 N -4.06 4.28 -1.06 8.37 2.01 -1.26 -4.95 115.64 118.96 1kui s THR 68 Ca 0.27 -0.08 -0.22 0.00 0.31 0.00 0.00 61.69 61.97 1kui s THR 68 Cb 0.06 -4.67 0.06 0.00 0.01 0.00 0.00 72.50 67.97 1kui s THR 68 CO 0.04 -1.40 1.49 -0.69 -0.69 0.00 0.00 174.62 173.37 1kui s VAL 69 N 4.22 3.98 0.54 3.82 1.01 -1.26 -4.78 120.40 127.92 1kui s VAL 69 Ca 0.26 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.33 1kui s VAL 69 Cb -0.15 -5.07 0.06 0.00 0.00 0.00 0.00 36.38 31.22 1kui s VAL 69 CO 0.13 -1.94 0.74 0.00 0.00 0.00 0.00 175.10 174.03 1kui s GLN 70 N 4.77 2.43 0.30 2.72 -2.07 -1.26 -4.98 119.66 121.57 1kui s GLN 70 Ca 0.47 -1.42 -0.02 0.00 -1.82 0.00 0.00 55.36 52.57 1kui s GLN 70 Cb 0.01 -2.65 0.44 0.00 -1.09 0.00 0.00 33.01 29.72 1kui s GLN 70 CO -0.07 -0.72 1.95 0.00 -1.32 0.00 0.00 175.29 175.13 1kui h ALA 71 N 0.26 1.38 -1.90 2.60 0.00 -1.93 -3.40 119.26 116.27 1kui h ALA 71 Ca -0.34 -0.08 -0.57 0.00 0.00 0.00 0.00 54.91 53.92 1kui h ALA 71 Cb 1.28 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1kui h ALA 71 CO 0.43 0.54 0.96 0.34 0.00 0.00 0.00 179.25 181.52 1kui s ASP 72 N -6.34 6.66 0.13 0.00 2.15 -1.26 0.44 116.67 118.45 1kui s ASP 72 Ca -0.11 1.04 -0.16 0.00 0.43 0.00 0.00 52.55 53.75 1kui s ASP 72 Cb 0.17 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1kui s ASP 72 CO 0.79 -1.12 1.68 0.00 -0.17 0.00 0.00 175.17 176.36 1kui h ALA 73 N 9.29 0.53 -0.87 3.66 0.00 -1.88 -1.87 119.26 128.12 1kui h ALA 73 Ca -0.25 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.59 1kui h ALA 73 Cb 1.09 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1kui h ALA 73 CO 1.05 0.13 0.54 -1.35 0.00 0.00 0.00 179.25 179.62 1kui h PRO 74 N 0.51 0.94 -0.37 0.00 0.11 -1.96 0.13 132.00 131.36 1kui h PRO 74 Ca 0.14 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 1kui h PRO 74 Cb 0.19 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 1kui h PRO 74 CO -0.01 0.62 0.11 1.15 -0.21 0.00 0.00 178.00 179.66 1kui h THR 75 N 0.97 1.21 -0.91 -1.15 2.02 -1.90 -1.57 112.91 111.58 1kui h THR 75 Ca 0.39 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.87 1kui h THR 75 Cb 0.21 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1kui h THR 75 CO -0.19 0.25 0.60 0.74 0.37 0.00 0.00 175.52 177.28 1kui h THR 76 N 0.46 1.24 -0.68 3.16 2.02 -0.78 -1.83 112.91 116.50 1kui h THR 76 Ca 0.12 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 1kui h THR 76 Cb 0.26 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 1kui h THR 76 CO -0.00 0.23 0.23 0.00 0.37 0.00 0.00 175.52 176.35 1kui h ALA 77 N 1.42 1.12 -0.53 6.16 0.00 -0.36 0.82 119.26 127.89 1kui h ALA 77 Ca 0.33 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1kui h ALA 77 Cb -0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1kui h ALA 77 CO -0.07 0.61 0.01 0.78 0.00 0.00 0.00 179.25 180.58 1kui h GLY 78 N 1.07 1.00 1.38 0.00 0.00 -0.63 0.88 103.07 106.78 1kui h GLY 78 Ca 0.22 -0.73 -0.10 0.00 0.00 0.00 0.00 47.33 46.72 1kui h GLY 78 CO -0.01 0.68 -0.19 1.41 0.00 0.00 0.00 176.54 178.43 1kui h LEU 79 N 0.80 0.72 -0.43 3.11 3.38 -1.02 -1.78 115.31 120.10 1kui h LEU 79 Ca 0.15 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1kui h LEU 79 Cb 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1kui h LEU 79 CO 0.03 0.91 -0.16 0.15 0.09 0.00 0.00 178.44 179.45 1kui h PHE 80 N 0.64 0.99 -0.68 1.13 3.57 -0.60 -1.83 116.94 120.16 1kui h PHE 80 Ca 0.10 -0.23 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 1kui h PHE 80 Cb 0.67 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1kui h PHE 80 CO 0.03 1.00 0.35 0.78 -2.23 0.00 0.00 178.31 178.25 1kui h GLY 81 N 0.69 1.01 0.89 2.40 0.00 -0.61 0.18 103.07 107.64 1kui h GLY 81 Ca 0.10 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1kui h GLY 81 CO 0.05 0.44 0.09 -0.55 0.00 0.00 0.00 176.54 176.57 1kui h ASP 82 N 0.95 0.31 -0.02 0.19 3.45 -1.06 -1.44 116.42 118.79 1kui h ASP 82 Ca 0.24 -0.17 -0.10 0.00 0.43 0.00 0.00 57.03 57.42 1kui h ASP 82 Cb 0.06 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 1kui h ASP 82 CO -0.04 0.40 -0.29 -0.25 -1.57 0.00 0.00 179.24 177.49 1kui h TRP 83 N 0.21 0.54 -0.56 4.55 7.01 -0.96 -1.12 115.95 125.61 1kui h TRP 83 Ca 0.07 -0.12 -0.05 0.00 2.11 0.00 0.00 58.89 60.90 1kui h TRP 83 Cb 0.19 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 1kui h TRP 83 CO -0.01 0.72 0.15 -0.09 -2.79 0.00 0.00 178.44 176.42 1kui h ARG 84 N 0.41 0.89 -0.29 2.65 1.12 -0.46 0.43 114.38 119.13 1kui h ARG 84 Ca 0.05 -0.21 -0.15 0.00 -1.11 0.00 0.00 59.98 58.57 1kui h ARG 84 Cb 0.73 -0.12 -0.00 0.00 -0.01 0.00 0.00 29.97 30.56 1kui h ARG 84 CO 0.06 0.82 -0.39 1.49 -3.11 0.00 0.00 179.97 178.84 1kui h GLU 85 N 0.79 0.77 0.00 0.20 4.81 -1.05 -0.05 114.58 120.06 1kui h GLU 85 Ca 0.18 -0.45 -0.18 0.00 -0.13 0.00 0.00 59.36 58.78 1kui h GLU 85 Cb 0.33 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1kui h GLU 85 CO -0.00 1.08 -0.91 0.00 -0.73 0.00 0.00 179.01 178.45 1kui h ARG 86 N 0.53 0.00 0.00 1.92 3.08 -1.09 -3.41 114.38 115.41 1kui h ARG 86 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1kui h ARG 86 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1kui h ARG 86 CO 0.09 0.80 -0.15 0.28 -1.07 0.00 0.00 179.97 179.92 1kui n VAL 87 N -3.28 1.03 -0.16 2.04 0.31 0.15 -4.73 118.33 113.69 1kui n VAL 87 Ca -0.01 0.34 -0.07 0.00 -0.01 0.00 0.00 64.34 64.59 1kui n VAL 87 Cb 0.88 -1.55 0.02 0.00 -0.91 0.00 0.00 33.84 32.28 1kui n VAL 87 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1kui h LEU 88 N 0.00 0.55 -2.26 7.52 5.85 -1.21 -1.92 115.31 123.84 1kui h LEU 88 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1kui h LEU 88 Cb 0.15 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1kui h LEU 88 CO 0.00 0.40 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.38 1kui h LEU 89 N 0.65 0.00 0.00 2.25 3.38 -1.22 -1.21 115.31 119.15 1kui h LEU 89 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1kui h LEU 89 Cb -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1kui h LEU 89 CO -0.04 0.04 -0.08 0.11 0.09 0.00 0.00 178.44 178.56 1kui h LYS 90 N 0.00 0.00 0.14 1.13 1.79 -1.60 -3.32 116.57 114.71 1kui h LYS 90 Ca -0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.26 1kui h LYS 90 Cb 0.21 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.88 1kui h LYS 90 CO 0.01 0.01 -0.94 0.87 -1.08 0.00 0.00 179.45 178.32 1kui h LYS 91 N 0.00 0.29 -1.95 3.15 1.57 -0.98 -3.47 116.57 115.17 1kui h LYS 91 Ca -0.00 -0.50 0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1kui h LYS 91 Cb 1.01 0.18 -0.22 0.00 0.08 0.00 0.00 32.23 33.28 1kui h LYS 91 CO 0.00 1.24 0.10 0.21 -0.57 0.00 0.00 179.45 180.43 1kui s LYS 92 N -2.44 0.72 0.44 3.15 2.20 -1.04 -5.14 119.74 117.63 1kui s LYS 92 Ca -0.15 1.08 -0.24 0.00 -0.36 0.00 0.00 55.97 56.31 1kui s LYS 92 Cb 0.02 0.23 -0.08 0.00 -1.51 0.00 0.00 37.83 36.49 1kui s LYS 92 CO 0.82 -0.12 1.24 1.21 -0.36 0.00 0.00 175.35 178.13 1kui s ASN 93 N 1.13 6.14 0.20 1.43 2.47 -1.26 -4.44 114.94 120.62 1kui s ASN 93 Ca -0.06 2.49 -0.23 0.00 0.42 0.00 0.00 52.86 55.48 1kui s ASN 93 Cb -0.05 -2.62 0.05 0.00 -1.45 0.00 0.00 41.25 37.18 1kui s ASN 93 CO -0.12 -0.95 0.73 -1.38 -3.72 0.00 0.00 177.10 171.66 1kui s HIS 94 N -1.40 -0.30 -0.13 0.43 -3.43 -1.26 -4.97 115.29 104.24 1kui s HIS 94 Ca 0.61 -0.04 0.17 0.00 -0.80 0.00 0.00 55.06 55.00 1kui s HIS 94 Cb -0.34 0.64 -0.23 0.00 -1.43 0.00 0.00 32.58 31.23 1kui s HIS 94 CO 0.42 -1.01 0.42 -0.25 -2.00 0.00 0.00 174.74 172.32 1kui n ASP 95 N -0.42 0.39 -3.64 7.38 10.43 0.14 -4.99 116.55 125.84 1kui n ASP 95 Ca -0.08 0.18 -0.14 0.00 2.57 0.00 0.00 54.79 57.31 1kui n ASP 95 Cb 0.61 0.70 -0.08 0.00 1.84 0.00 0.00 41.12 44.20 1kui n ASP 95 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 1kui s HIS 96 N -2.74 -0.68 -0.01 1.24 5.04 -1.15 -3.41 115.29 113.58 1kui s HIS 96 Ca -0.07 1.59 0.05 0.00 -1.54 0.00 0.00 55.06 55.09 1kui s HIS 96 Cb 0.08 0.26 -0.01 0.00 0.04 0.00 0.00 32.58 32.95 1kui s HIS 96 CO 0.83 -0.38 -0.16 0.00 -2.34 0.00 0.00 174.74 172.69 1kui s ALA 97 N 0.06 1.33 -0.03 1.58 0.00 -0.52 -0.94 121.76 123.23 1kui s ALA 97 Ca -0.02 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.29 1kui s ALA 97 Cb -0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1kui s ALA 97 CO 0.02 0.32 -0.21 -0.65 0.00 0.00 0.00 175.76 175.25 1kui s GLN 98 N -0.47 1.91 -0.26 0.00 -0.21 -0.28 -1.80 119.66 118.55 1kui s GLN 98 Ca 0.06 -0.73 -0.11 0.00 0.02 0.00 0.00 55.36 54.59 1kui s GLN 98 Cb -0.06 -1.72 -0.05 0.00 1.00 0.00 0.00 33.01 32.18 1kui s GLN 98 CO -0.00 0.36 0.21 -1.17 -2.12 0.00 0.00 175.29 172.57 1kui s LEU 99 N -0.24 4.07 -0.17 2.90 2.96 -0.55 -0.91 118.68 126.74 1kui s LEU 99 Ca 0.01 0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 53.94 1kui s LEU 99 Cb -0.10 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 1kui s LEU 99 CO 0.01 -0.02 0.12 -0.76 -1.32 0.00 0.00 176.35 174.39 1kui s LEU 100 N 1.48 4.22 0.14 -0.68 1.43 0.51 -0.30 118.68 125.48 1kui s LEU 100 Ca 0.09 0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 53.39 1kui s LEU 100 Cb -0.15 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 1kui s LEU 100 CO 0.08 0.26 0.25 0.28 0.23 0.00 0.00 176.35 177.46 1kui s THR 101 N -0.13 0.09 -2.08 5.49 -1.32 -0.66 -1.88 115.64 115.16 1kui s THR 101 Ca 0.10 -1.30 0.21 0.00 -1.21 0.00 0.00 61.69 59.49 1kui s THR 101 Cb -0.11 -1.66 0.44 0.00 -1.51 0.00 0.00 72.50 69.65 1kui s THR 101 CO 0.00 -0.41 1.38 -0.90 -2.21 0.00 0.00 174.62 172.47 1kui n ASP 102 N -0.16 3.42 -4.71 8.08 5.75 -1.26 -0.07 116.55 127.59 1kui n ASP 102 Ca -0.10 -1.96 -0.43 0.00 -0.01 0.00 0.00 54.79 52.29 1kui n ASP 102 Cb 0.63 -0.29 -0.02 0.00 -1.03 0.00 0.00 41.12 40.41 1kui n ASP 102 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1kui n THR 103 N 1.35 0.95 -2.70 2.12 -1.04 -1.26 -4.88 114.28 108.82 1kui n THR 103 Ca 0.19 -0.24 -0.43 0.00 -2.04 0.00 0.00 64.05 61.53 1kui n THR 103 Cb 0.57 -1.75 -0.01 0.00 -1.82 0.00 0.00 70.33 67.32 1kui n THR 103 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1kui s ASN 104 N 0.43 6.83 0.52 8.00 3.04 -1.26 -4.89 114.94 127.61 1kui s ASN 104 Ca 0.66 -2.39 -0.22 0.00 0.04 0.00 0.00 52.86 50.96 1kui s ASN 104 Cb -0.56 -2.52 -0.07 0.00 -1.54 0.00 0.00 41.25 36.56 1kui s ASN 104 CO 0.48 -1.11 1.10 0.49 -3.04 0.00 0.00 177.10 175.03 1kui n PHE 105 N 7.62 1.41 -0.87 0.43 0.99 -1.26 -4.82 117.46 120.96 1kui n PHE 105 Ca 0.41 0.47 -0.32 0.00 -0.00 0.00 0.00 57.45 58.02 1kui n PHE 105 Cb 0.46 -2.24 0.15 0.00 -1.00 0.00 0.00 39.48 36.85 1kui n PHE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1kui s ALA 106 N -1.36 1.64 -1.51 4.37 0.00 0.17 -3.50 121.76 121.56 1kui s ALA 106 Ca 0.69 0.66 -0.05 0.00 0.00 0.00 0.00 51.96 53.26 1kui s ALA 106 Cb -0.46 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.22 1kui s ALA 106 CO 0.52 -2.55 0.49 0.54 0.00 0.00 0.00 175.76 174.76 1kui n ARG 107 N -3.89 -4.18 -3.21 0.00 1.74 -1.26 -2.21 116.66 103.65 1kui n ARG 107 Ca 0.12 0.83 -0.23 0.00 -0.77 0.00 0.00 57.85 57.80 1kui n ARG 107 Cb 0.52 -5.64 0.02 0.00 -1.02 0.00 0.00 32.46 26.34 1kui n ARG 107 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1kui n ASN 108 N -2.40 -5.14 -4.73 0.55 4.05 -1.23 -4.92 115.26 101.44 1kui n ASN 108 Ca -0.11 -0.35 -0.40 0.00 0.45 0.00 0.00 54.58 54.16 1kui n ASN 108 Cb 0.61 -4.17 -0.05 0.00 1.23 0.00 0.00 39.78 37.40 1kui n ASN 108 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1kui s THR 109 N -3.09 4.80 -0.43 -0.44 2.01 -0.94 -4.95 115.64 112.61 1kui s THR 109 Ca 0.37 1.69 0.08 0.00 0.31 0.00 0.00 61.69 64.14 1kui s THR 109 Cb -0.18 -4.15 -0.09 0.00 0.01 0.00 0.00 72.50 68.10 1kui s THR 109 CO 0.45 0.30 0.38 2.30 -0.69 0.00 0.00 174.62 177.36 1kui n ILE 110 N 3.19 0.00 -3.57 1.82 -5.35 -1.26 -4.23 119.36 109.95 1kui n ILE 110 Ca -0.00 -0.31 -0.08 0.00 -0.27 0.00 0.00 62.75 62.09 1kui n ILE 110 Cb 0.50 1.01 -0.04 0.00 -1.74 0.00 0.00 39.64 39.38 1kui n ILE 110 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1kui s GLY 111 N -1.76 -0.29 -0.16 3.28 0.00 -1.26 -0.69 107.32 106.44 1kui s GLY 111 Ca 0.04 1.79 -0.28 0.00 0.00 0.00 0.00 44.72 46.26 1kui s GLY 111 CO 0.34 0.78 0.70 0.86 0.00 0.00 0.00 173.10 175.78 1kui s TRP 112 N -1.82 -0.73 0.13 1.90 -0.00 -0.13 -5.00 118.94 113.30 1kui s TRP 112 Ca 0.03 1.54 -0.20 0.00 -0.00 0.00 0.00 56.10 57.47 1kui s TRP 112 Cb -0.01 0.34 0.05 0.00 -0.00 0.00 0.00 33.47 33.85 1kui s TRP 112 CO -0.03 -0.49 0.50 0.00 -0.00 0.00 0.00 176.95 176.93 1kui s ALA 113 N -0.38 -1.26 0.30 5.86 0.00 -1.26 -0.86 121.76 124.16 1kui s ALA 113 Ca -0.05 0.25 -0.29 0.00 0.00 0.00 0.00 51.96 51.87 1kui s ALA 113 Cb -0.03 0.74 -0.09 0.00 0.00 0.00 0.00 23.12 23.74 1kui s ALA 113 CO 0.05 -0.68 1.10 0.71 0.00 0.00 0.00 175.76 176.94 1kui s TYR 114 N -3.63 3.53 -0.10 0.00 2.02 -1.25 -4.89 117.35 113.02 1kui s TYR 114 Ca 0.01 1.69 -0.26 0.00 -0.37 0.00 0.00 57.07 58.14 1kui s TYR 114 Cb 0.00 -3.27 -0.03 0.00 -0.40 0.00 0.00 41.96 38.26 1kui s TYR 114 CO -0.11 -0.59 0.81 0.08 -1.57 0.00 0.00 175.55 174.17 1kui s VAL 115 N -1.22 4.94 -1.15 0.71 1.01 -1.26 -3.34 120.40 120.09 1kui s VAL 115 Ca 0.46 1.65 0.00 0.00 0.00 0.00 0.00 61.98 64.10 1kui s VAL 115 Cb -0.31 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1kui s VAL 115 CO 0.40 0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1kui n GLY 116 N 3.21 1.06 1.33 4.51 0.00 0.58 -4.87 105.19 111.01 1kui n GLY 116 Ca 0.03 -0.50 0.05 0.00 0.00 0.00 0.00 46.02 45.59 1kui n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kui n ARG 117 N -2.60 3.45 -1.59 1.61 5.12 -0.90 -4.78 116.66 116.97 1kui n ARG 117 Ca -0.11 -2.99 -0.47 0.00 -1.93 0.00 0.00 57.85 52.34 1kui n ARG 117 Cb 0.40 -2.01 -0.03 0.00 -1.16 0.00 0.00 32.46 29.66 1kui n ARG 117 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 1kui n MET 118 N -0.23 1.33 0.00 5.56 0.00 -0.64 -1.19 117.12 121.95 1kui n MET 118 Ca 0.27 0.47 0.00 0.00 -0.00 0.00 0.00 57.70 58.44 1kui n MET 118 Cb 1.06 -1.96 0.00 0.00 0.00 0.00 0.00 33.22 32.32 1kui n MET 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1kui s ASP 120 N -1.38 6.45 0.44 0.00 -1.08 -0.33 -4.87 116.67 115.90 1kui s ASP 120 Ca 0.00 2.91 0.13 0.00 -0.52 0.00 0.00 52.55 55.06 1kui s ASP 120 Cb 0.00 -2.64 1.02 0.00 -1.46 0.00 0.00 42.92 39.84 1kui s ASP 120 CO 0.00 -0.83 2.02 -0.33 0.52 0.00 0.00 175.17 176.54 1kui h GLU 121 N 4.27 0.39 0.00 4.34 5.08 -1.95 -2.22 114.58 124.49 1kui h GLU 121 Ca -0.48 -0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 57.61 1kui h GLU 121 Cb 1.23 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.34 1kui h GLU 121 CO 0.74 0.25 -1.94 1.17 -1.00 0.00 0.00 179.01 178.24 1kui n LYS 122 N -4.47 1.49 -0.08 2.33 4.81 -1.26 -3.94 118.16 117.03 1kui n LYS 122 Ca 0.07 0.02 0.12 0.00 -0.87 0.00 0.00 58.31 57.65 1kui n LYS 122 Cb 0.27 -1.34 0.18 0.00 0.02 0.00 0.00 35.03 34.15 1kui n LYS 122 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1kui n TYR 123 N -2.62 0.21 -2.09 5.64 4.02 -1.21 -4.38 117.16 116.75 1kui n TYR 123 Ca -0.24 -0.11 -0.41 0.00 -0.01 0.00 0.00 57.90 57.13 1kui n TYR 123 Cb 0.91 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 40.23 1kui n TYR 123 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1kui n SER 124 N 1.31 6.14 -3.94 7.72 2.88 -0.84 -4.55 113.62 122.35 1kui n SER 124 Ca 0.17 -3.05 -0.09 0.00 -1.33 0.00 0.00 58.87 54.57 1kui n SER 124 Cb 0.58 -1.47 -0.08 0.00 -0.75 0.00 0.00 64.21 62.50 1kui n SER 124 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1kui s VAL 125 N 0.35 0.12 0.05 2.46 -7.23 -1.26 -1.44 120.40 113.45 1kui s VAL 125 Ca 0.47 -1.37 -0.05 0.00 -1.81 0.00 0.00 61.98 59.22 1kui s VAL 125 Cb 0.13 -1.60 -0.01 0.00 0.56 0.00 0.00 36.38 35.46 1kui s VAL 125 CO -0.04 -0.53 0.09 0.00 -0.31 0.00 0.00 175.10 174.31 1kui s ALA 126 N -3.92 -0.01 -0.07 1.32 0.00 -0.75 -3.74 121.76 114.59 1kui s ALA 126 Ca 0.11 -0.65 0.05 0.00 0.00 0.00 0.00 51.96 51.47 1kui s ALA 126 Cb 0.05 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 1kui s ALA 126 CO -0.06 -0.36 -0.23 0.14 0.00 0.00 0.00 175.76 175.26 1kui s VAL 127 N -2.99 1.92 -0.03 0.00 -7.23 -0.04 -1.48 120.40 110.54 1kui s VAL 127 Ca -0.02 -0.98 0.01 0.00 -1.81 0.00 0.00 61.98 59.19 1kui s VAL 127 Cb 0.01 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.33 1kui s VAL 127 CO -0.06 0.53 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.52 1kui s VAL 128 N 0.04 0.52 0.05 1.32 1.01 0.59 -0.96 120.40 122.98 1kui s VAL 128 Ca -0.08 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.48 1kui s VAL 128 Cb -0.15 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 1kui s VAL 128 CO 0.05 0.20 0.83 -0.75 0.00 0.00 0.00 175.10 175.43 1kui s LYS 129 N 0.65 4.55 -1.36 2.72 2.20 0.13 -1.65 119.74 126.98 1kui s LYS 129 Ca -0.08 1.19 -0.16 0.00 -0.36 0.00 0.00 55.97 56.55 1kui s LYS 129 Cb -0.12 -3.38 0.05 0.00 -1.51 0.00 0.00 37.83 32.87 1kui s LYS 129 CO 0.00 0.23 1.96 -3.47 -0.36 0.00 0.00 175.35 173.71 1kui n ASP 130 N 2.93 4.40 -0.96 1.43 4.64 0.90 -4.73 116.55 125.16 1kui n ASP 130 Ca -0.00 -2.88 0.08 0.00 -1.38 0.00 0.00 54.79 50.61 1kui n ASP 130 Cb 0.50 -1.70 0.23 0.00 -1.04 0.00 0.00 41.12 39.11 1kui n ASP 130 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1kui n HIS 131 N 7.48 0.72 -3.68 -0.67 1.44 -1.26 -4.87 115.22 114.38 1kui n HIS 131 Ca 0.50 -0.35 -0.14 0.00 -2.01 0.00 0.00 57.72 55.72 1kui n HIS 131 Cb 0.43 -0.03 -0.07 0.00 0.12 0.00 0.00 29.99 30.44 1kui n HIS 131 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1kui s SER 132 N -0.97 -0.33 0.40 4.39 0.15 -1.26 -5.00 113.70 111.09 1kui s SER 132 Ca 0.34 0.22 0.26 0.00 0.70 0.00 0.00 55.95 57.47 1kui s SER 132 Cb 0.18 0.40 0.74 0.00 -1.71 0.00 0.00 66.02 65.62 1kui s SER 132 CO 0.22 -0.54 1.74 0.77 1.20 0.00 0.00 173.24 176.63 1kui h SER 133 N 3.44 0.00 -3.42 5.45 4.64 -2.02 -3.43 113.55 118.20 1kui h SER 133 Ca -0.29 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.46 1kui h SER 133 Cb 1.17 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.20 1kui h SER 133 CO 0.41 0.00 0.93 -0.54 -0.87 0.00 0.00 176.83 176.75 1kui s LYS 134 N -3.31 3.86 0.24 4.77 1.02 -1.26 -4.92 119.74 120.14 1kui s LYS 134 Ca 0.06 0.90 -0.06 0.00 0.02 0.00 0.00 55.97 56.89 1kui s LYS 134 Cb 0.08 -3.86 0.42 0.00 -0.52 0.00 0.00 37.83 33.94 1kui s LYS 134 CO 0.60 -1.20 1.69 0.28 -0.92 0.00 0.00 175.35 175.80 1kui h VAL 135 N 6.04 0.54 -0.77 3.17 2.07 -1.99 -1.69 116.25 123.62 1kui h VAL 135 Ca -0.23 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1kui h VAL 135 Cb 1.07 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1kui h VAL 135 CO 1.07 0.05 0.51 0.15 0.02 0.00 0.00 177.57 179.37 1kui h PHE 136 N 0.27 0.90 -0.24 1.57 3.57 -1.95 0.23 116.94 121.29 1kui h PHE 136 Ca 0.39 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.84 1kui h PHE 136 Cb 0.64 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1kui h PHE 136 CO -0.26 0.51 -0.18 0.52 -2.23 0.00 0.00 178.31 176.67 1kui h MET 137 N 0.92 0.42 0.06 1.11 2.86 -1.70 0.11 114.93 118.71 1kui h MET 137 Ca 0.31 -0.13 -0.19 0.00 -2.06 0.00 0.00 59.70 57.63 1kui h MET 137 Cb 0.08 -0.04 0.02 0.00 0.06 0.00 0.00 31.60 31.72 1kui h MET 137 CO -0.09 0.59 -0.78 0.28 1.06 0.00 0.00 176.91 177.97 1kui h VAL 138 N 0.38 1.43 -0.81 -2.22 2.07 -1.29 -3.08 116.25 112.73 1kui h VAL 138 Ca 0.07 -2.29 0.03 0.00 0.82 0.00 0.00 66.70 65.33 1kui h VAL 138 Cb 0.54 2.80 -0.05 0.00 -1.52 0.00 0.00 31.29 33.07 1kui h VAL 138 CO 0.04 0.66 0.53 0.00 0.02 0.00 0.00 177.57 178.82 1kui h ALA 139 N 0.24 1.50 0.00 1.67 0.00 -0.71 -0.09 119.26 121.88 1kui h ALA 139 Ca -0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1kui h ALA 139 Cb 1.52 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1kui h ALA 139 CO 0.15 0.42 -0.40 -0.24 0.00 0.00 0.00 179.25 179.18 1kui h VAL 140 N 1.01 0.97 -0.20 0.00 3.04 -0.88 -0.56 116.25 119.63 1kui h VAL 140 Ca 0.32 -1.57 -0.12 0.00 -1.01 0.00 0.00 66.70 64.32 1kui h VAL 140 Cb 0.03 1.93 -0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1kui h VAL 140 CO -0.09 0.39 -0.34 0.74 -1.01 0.00 0.00 177.57 177.27 1kui h THR 141 N 0.00 1.33 -1.00 3.17 2.02 -1.19 -0.09 112.91 117.15 1kui h THR 141 Ca -0.00 -1.56 0.05 0.00 0.77 0.00 0.00 66.41 65.67 1kui h THR 141 Cb 0.90 1.84 -0.06 0.00 -1.74 0.00 0.00 68.15 69.09 1kui h THR 141 CO 0.05 0.48 0.65 0.24 0.37 0.00 0.00 175.52 177.31 1kui h MET 142 N 0.26 1.19 -0.41 6.66 2.86 -0.72 -1.27 114.93 123.50 1kui h MET 142 Ca 0.01 -0.07 -0.15 0.00 -2.06 0.00 0.00 59.70 57.43 1kui h MET 142 Cb 0.92 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1kui h MET 142 CO 0.08 0.78 -0.33 1.15 1.06 0.00 0.00 176.91 179.65 1kui h THR 143 N 1.22 1.27 -0.56 2.22 2.02 -0.96 -0.75 112.91 117.36 1kui h THR 143 Ca 0.41 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1kui h THR 143 Cb 0.08 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1kui h THR 143 CO -0.15 0.51 0.35 -0.74 0.37 0.00 0.00 175.52 175.86 1kui h HIS 144 N 0.78 0.73 -0.37 3.16 6.17 -0.62 0.15 115.15 125.14 1kui h HIS 144 Ca 0.08 0.01 -0.13 0.00 0.71 0.00 0.00 60.37 61.04 1kui h HIS 144 Cb 0.91 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 30.59 1kui h HIS 144 CO 0.06 0.48 -0.28 0.93 0.71 0.00 0.00 177.93 179.83 1kui h GLU 145 N 0.76 0.78 -0.98 5.26 4.39 -1.07 -1.33 114.58 122.39 1kui h GLU 145 Ca 0.20 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.57 1kui h GLU 145 Cb -0.05 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.53 1kui h GLU 145 CO -0.04 0.96 0.65 1.25 -1.16 0.00 0.00 179.01 180.67 1kui h LEU 146 N 0.66 1.12 -0.20 1.33 5.85 -0.73 -1.37 115.31 121.98 1kui h LEU 146 Ca 0.08 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1kui h LEU 146 Cb 0.81 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1kui h LEU 146 CO 0.07 0.80 0.10 1.23 -0.34 0.00 0.00 178.44 180.30 1kui h GLY 147 N 1.32 0.26 0.68 3.75 0.00 -0.10 -0.02 103.07 108.95 1kui h GLY 147 Ca 0.37 -0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.69 1kui h GLY 147 CO -0.09 0.06 0.51 0.45 0.00 0.00 0.00 176.54 177.47 1kui h HIS 148 N 0.21 0.94 0.00 5.60 3.86 -0.78 -0.78 115.15 124.20 1kui h HIS 148 Ca 0.08 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1kui h HIS 148 Cb 0.02 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.19 1kui h HIS 148 CO -0.09 0.46 -0.07 -0.97 0.86 0.00 0.00 177.93 178.12 1kui h ASN 149 N 0.91 0.00 -0.37 2.45 -0.00 -0.12 0.21 115.58 118.67 1kui h ASN 149 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.67 1kui h ASN 149 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.53 1kui h ASN 149 CO -0.19 0.07 0.00 0.18 -0.00 0.00 0.00 177.43 177.49 1kui n LEU 150 N -3.30 3.34 0.00 0.34 4.77 -0.14 -1.61 117.00 120.40 1kui n LEU 150 Ca -0.01 -1.69 0.00 0.00 -0.03 0.00 0.00 56.01 54.28 1kui n LEU 150 Cb 0.25 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1kui n LEU 150 CO 0.27 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 1kui n GLY 151 N 0.63 0.61 3.83 -0.72 0.00 -0.16 -4.57 105.19 104.80 1kui n GLY 151 Ca 0.16 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1kui n GLY 151 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1kui s MET 152 N -0.74 4.04 0.55 1.61 -1.94 -0.42 -4.77 119.30 117.62 1kui s MET 152 Ca 0.00 0.55 0.07 0.00 -1.71 0.00 0.00 55.69 54.61 1kui s MET 152 Cb 0.00 -3.17 0.06 0.00 2.01 0.00 0.00 34.83 33.72 1kui s MET 152 CO 0.00 0.63 0.58 -1.21 -0.01 0.00 0.00 175.02 175.01 1kui s GLU 153 N -1.26 2.29 0.64 2.03 0.41 -1.26 -4.01 118.70 117.54 1kui s GLU 153 Ca 0.28 -1.83 -0.17 0.00 -0.41 0.00 0.00 54.97 52.84 1kui s GLU 153 Cb -0.18 -2.35 -0.01 0.00 -1.78 0.00 0.00 34.13 29.81 1kui s GLU 153 CO 0.17 -0.71 1.19 -1.01 -0.49 0.00 0.00 175.26 174.41 1kui s HIS 154 N -2.71 2.33 0.46 1.61 3.76 -1.26 -4.87 115.29 114.60 1kui s HIS 154 Ca 0.47 1.54 -0.25 0.00 -0.15 0.00 0.00 55.06 56.67 1kui s HIS 154 Cb -0.04 -3.44 -0.08 0.00 1.11 0.00 0.00 32.58 30.13 1kui s HIS 154 CO 0.29 -2.25 1.39 -0.25 -0.85 0.00 0.00 174.74 173.07 1kui n ASP 155 N -2.02 3.07 -4.03 1.40 8.00 -0.18 -4.97 116.55 117.82 1kui n ASP 155 Ca 0.13 1.10 -0.24 0.00 0.71 0.00 0.00 54.79 56.48 1kui n ASP 155 Cb 0.50 -1.58 -0.16 0.00 -0.02 0.00 0.00 41.12 39.86 1kui n ASP 155 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1kui s ASP 156 N -0.55 1.76 0.48 -2.24 -1.08 -1.26 -4.63 116.67 109.16 1kui s ASP 156 Ca 0.63 -0.30 0.15 0.00 -0.52 0.00 0.00 52.55 52.51 1kui s ASP 156 Cb -0.46 -0.78 1.14 0.00 -1.46 0.00 0.00 42.92 41.36 1kui s ASP 156 CO 0.56 0.04 2.07 0.11 0.52 0.00 0.00 175.17 178.48 1kui h LYS 157 N 6.89 0.00 0.00 4.34 1.79 -1.94 -0.47 116.57 127.19 1kui h LYS 157 Ca -0.31 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.08 1kui h LYS 157 Cb 1.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.82 1kui h LYS 157 CO 0.48 0.09 -0.40 -0.44 -1.08 0.00 0.00 179.45 178.10 1kui h ASP 158 N 0.00 0.00 0.52 0.86 3.32 -2.01 -3.26 116.42 115.84 1kui h ASP 158 Ca -0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 1kui h ASP 158 Cb 0.16 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 1kui h ASP 158 CO 0.01 0.40 -1.67 0.29 -1.72 0.00 0.00 179.24 176.55 1kui n LYS 159 N -3.73 0.63 -3.48 3.56 5.02 -0.33 -4.98 118.16 114.85 1kui n LYS 159 Ca -0.01 0.27 -0.15 0.00 -2.02 0.00 0.00 58.31 56.40 1kui n LYS 159 Cb 0.48 -1.79 -0.04 0.00 -0.02 0.00 0.00 35.03 33.66 1kui n LYS 159 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kui n LYS 161 N 0.40 0.52 -1.73 0.00 4.76 -1.26 -3.84 118.16 117.01 1kui n LYS 161 Ca -0.18 -0.39 -0.42 0.00 -2.87 0.00 0.00 58.31 54.45 1kui n LYS 161 Cb 0.60 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.27 1kui n LYS 161 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kui n ASP 163 N 3.59 0.57 -0.45 0.00 8.00 -1.26 -4.56 116.55 122.43 1kui n ASP 163 Ca 0.14 0.24 0.05 0.00 0.71 0.00 0.00 54.79 55.93 1kui n ASP 163 Cb 0.35 0.75 0.09 0.00 -0.02 0.00 0.00 41.12 42.29 1kui n ASP 163 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1kui n THR 164 N -2.67 1.07 -1.36 -3.53 -2.24 -1.26 -4.91 114.28 99.38 1kui n THR 164 Ca -0.08 -1.48 -0.29 0.00 -2.27 0.00 0.00 64.05 59.93 1kui n THR 164 Cb 0.74 0.15 0.15 0.00 -2.10 0.00 0.00 70.33 69.27 1kui n THR 164 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kui h ILE 166 N -1.65 0.74 -0.36 0.00 2.04 -1.11 -0.98 117.51 116.19 1kui h ILE 166 Ca -0.52 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 1kui h ILE 166 Cb 1.33 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1kui h ILE 166 CO 0.60 0.13 0.06 0.23 0.00 0.00 0.00 178.15 179.17 1kui n MET 167 N -4.82 2.88 -1.62 2.37 2.81 -1.26 -4.66 117.12 112.80 1kui n MET 167 Ca 0.19 -1.71 -0.37 0.00 -1.81 0.00 0.00 57.70 54.00 1kui n MET 167 Cb 0.46 -1.87 0.06 0.00 -0.71 0.00 0.00 33.22 31.16 1kui n MET 167 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1kui n SER 168 N 0.21 0.98 0.27 7.83 2.88 -0.37 -1.01 113.62 124.40 1kui n SER 168 Ca 0.18 0.79 0.11 0.00 -1.33 0.00 0.00 58.87 58.62 1kui n SER 168 Cb 0.84 -1.42 0.72 0.00 -0.75 0.00 0.00 64.21 63.60 1kui n SER 168 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kui h ALA 169 N 0.40 1.62 -3.81 -1.46 0.00 -1.91 -3.42 119.26 110.68 1kui h ALA 169 Ca -0.49 -0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.06 1kui h ALA 169 Cb 1.36 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.85 1kui h ALA 169 CO 0.51 0.08 -0.74 0.08 0.00 0.00 0.00 179.25 179.18 1kui s VAL 170 N -4.64 0.27 0.71 0.00 1.01 -1.26 -5.12 120.40 111.36 1kui s VAL 170 Ca -0.04 -0.13 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 1kui s VAL 170 Cb 0.15 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.31 1kui s VAL 170 CO 0.62 0.08 1.09 -0.51 0.00 0.00 0.00 175.10 176.38 1kui s ILE 171 N 0.03 3.45 0.16 2.22 2.07 -1.26 -5.05 121.20 122.82 1kui s ILE 171 Ca 0.00 0.55 -0.06 0.00 -1.41 0.00 0.00 60.65 59.73 1kui s ILE 171 Cb -0.03 -3.09 -0.02 0.00 0.13 0.00 0.00 42.46 39.46 1kui s ILE 171 CO -0.00 -0.53 0.21 -0.94 -1.91 0.00 0.00 174.94 171.76 1kui s SER 172 N -3.14 0.12 0.49 4.50 1.04 -1.26 -5.03 113.70 110.43 1kui s SER 172 Ca 0.63 -1.03 0.18 0.00 0.48 0.00 0.00 55.95 56.21 1kui s SER 172 Cb -0.18 0.40 1.23 0.00 0.10 0.00 0.00 66.02 67.57 1kui s SER 172 CO 0.49 -0.85 2.08 0.44 0.98 0.00 0.00 173.24 176.38 1kui h ASP 173 N 2.63 0.00 -0.50 7.02 5.19 -2.02 -1.94 116.42 126.80 1kui h ASP 173 Ca -0.33 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.03 1kui h ASP 173 Cb 1.22 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.70 1kui h ASP 173 CO 0.51 0.10 0.07 0.29 -3.12 0.00 0.00 179.24 177.09 1kui n LYS 174 N -4.26 3.85 -1.61 3.56 5.02 -1.26 -4.99 118.16 118.48 1kui n LYS 174 Ca -0.03 -2.50 -0.54 0.00 -2.02 0.00 0.00 58.31 53.23 1kui n LYS 174 Cb 0.18 -2.09 -0.06 0.00 -0.02 0.00 0.00 35.03 33.03 1kui n LYS 174 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1kui n GLN 175 N 0.33 1.06 -2.74 1.97 -0.06 -0.73 -4.93 117.38 112.29 1kui n GLN 175 Ca 0.25 0.39 -0.30 0.00 -2.00 0.00 0.00 57.00 55.34 1kui n GLN 175 Cb 1.06 -2.02 -0.02 0.00 -4.06 0.00 0.00 30.24 25.20 1kui n GLN 175 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1kui s SER 176 N 1.01 6.46 0.00 1.69 0.15 0.17 -5.00 113.70 118.18 1kui s SER 176 Ca 0.87 1.13 0.16 0.00 0.70 0.00 0.00 55.95 58.82 1kui s SER 176 Cb -1.00 -2.32 0.46 0.00 -1.71 0.00 0.00 66.02 61.45 1kui s SER 176 CO 0.51 -0.47 1.39 2.29 1.20 0.00 0.00 173.24 178.16 1kui n LYS 177 N -1.58 2.20 -3.92 5.44 2.85 -1.26 -4.21 118.16 117.67 1kui n LYS 177 Ca 0.02 -1.86 -0.33 0.00 -1.05 0.00 0.00 58.31 55.09 1kui n LYS 177 Cb 0.54 -1.41 -0.05 0.00 -0.65 0.00 0.00 35.03 33.47 1kui n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1kui s LEU 178 N -1.02 4.32 0.03 -5.58 1.43 -1.26 -4.69 118.68 111.92 1kui s LEU 178 Ca 0.35 0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 53.54 1kui s LEU 178 Cb 0.18 -2.63 -0.06 0.00 0.03 0.00 0.00 46.19 43.71 1kui s LEU 178 CO 0.24 0.25 0.66 -0.36 0.23 0.00 0.00 176.35 177.37 1kui s PHE 179 N -1.34 3.73 1.02 0.29 0.08 -1.26 -0.75 117.98 119.76 1kui s PHE 179 Ca 0.28 1.33 -0.15 0.00 0.12 0.00 0.00 56.93 58.51 1kui s PHE 179 Cb -0.13 -2.68 0.20 0.00 -0.57 0.00 0.00 43.02 39.85 1kui s PHE 179 CO 0.20 0.37 1.14 -1.54 -0.10 0.00 0.00 175.22 175.29 1kui s SER 180 N -0.34 2.51 0.39 1.36 1.04 -1.26 -4.85 113.70 112.55 1kui s SER 180 Ca 0.34 0.83 0.17 0.00 0.48 0.00 0.00 55.95 57.76 1kui s SER 180 Cb -0.19 -1.26 0.79 0.00 0.10 0.00 0.00 66.02 65.45 1kui s SER 180 CO 0.20 -3.16 1.82 -0.78 0.98 0.00 0.00 173.24 172.30 1kui h ASP 181 N -1.92 0.00 -0.39 7.02 3.58 -1.97 -1.39 116.42 121.36 1kui h ASP 181 Ca -0.49 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.95 1kui h ASP 181 Cb 1.31 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.34 1kui h ASP 181 CO 0.50 0.36 0.23 0.00 -2.88 0.00 0.00 179.24 177.45 1kui h SER 183 N 0.51 0.64 -0.74 0.00 0.02 -1.76 -0.92 113.55 111.30 1kui h SER 183 Ca 0.14 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 1kui h SER 183 Cb 0.01 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1kui h SER 183 CO -0.03 0.65 0.25 0.11 -1.14 0.00 0.00 176.83 176.68 1kui h LYS 184 N 0.60 1.14 -0.53 3.45 1.57 -1.17 -0.41 116.57 121.23 1kui h LYS 184 Ca 0.15 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1kui h LYS 184 Cb 0.21 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1kui h LYS 184 CO -0.01 0.96 0.01 -0.44 -0.57 0.00 0.00 179.45 179.39 1kui h ASP 185 N 1.10 0.91 -0.97 0.86 3.32 -0.87 -0.47 116.42 120.30 1kui h ASP 185 Ca 0.24 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1kui h ASP 185 Cb 0.28 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 1kui h ASP 185 CO -0.01 0.99 0.60 1.88 -1.72 0.00 0.00 179.24 180.98 1kui h TYR 186 N 0.81 1.25 -0.48 4.55 0.99 -0.84 -1.28 116.97 121.98 1kui h TYR 186 Ca 0.15 0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.81 1kui h TYR 186 Cb 0.52 -0.42 -0.02 0.00 1.00 0.00 0.00 36.73 37.81 1kui h TYR 186 CO 0.04 0.82 -0.02 -0.92 -0.00 0.00 0.00 178.16 178.07 1kui h TYR 187 N 1.33 0.87 -0.60 4.88 3.20 -0.71 -0.48 116.97 125.46 1kui h TYR 187 Ca 0.35 -0.13 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 1kui h TYR 187 Cb -0.09 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 37.92 1kui h TYR 187 CO 0.00 0.81 0.22 0.37 -1.64 0.00 0.00 178.16 177.92 1kui h GLN 188 N 0.75 0.91 -0.83 1.82 5.75 -0.60 -0.50 115.11 122.40 1kui h GLN 188 Ca 0.14 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1kui h GLN 188 Cb 0.49 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.86 1kui h GLN 188 CO 0.02 0.79 0.49 1.15 -2.65 0.00 0.00 178.83 178.64 1kui h THR 189 N 0.84 1.24 -0.27 2.39 2.02 -0.81 -0.84 112.91 117.47 1kui h THR 189 Ca 0.20 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1kui h THR 189 Cb 0.24 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1kui h THR 189 CO -0.01 0.25 0.08 0.15 0.37 0.00 0.00 175.52 176.36 1kui h PHE 190 N 1.15 0.43 -0.29 3.16 3.57 -0.60 0.79 116.94 125.15 1kui h PHE 190 Ca 0.30 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.69 1kui h PHE 190 Cb -0.02 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1kui h PHE 190 CO -0.00 0.48 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.38 1kui h LEU 191 N 0.27 0.45 -0.06 0.59 3.38 -0.80 0.13 115.31 119.27 1kui h LEU 191 Ca 0.09 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 1kui h LEU 191 Cb 0.25 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1kui h LEU 191 CO -0.00 0.60 -0.66 0.74 0.09 0.00 0.00 178.44 179.21 1kui h THR 192 N 0.44 1.36 0.04 0.22 2.02 -0.91 -3.22 112.91 112.86 1kui h THR 192 Ca 0.09 -2.00 -0.34 0.00 0.77 0.00 0.00 66.41 64.93 1kui h THR 192 Cb 0.45 2.34 -0.05 0.00 -1.74 0.00 0.00 68.15 69.15 1kui h THR 192 CO 0.02 0.60 -1.99 0.59 0.37 0.00 0.00 175.52 175.12 1kui n ASN 193 N -4.13 1.22 -0.11 4.18 3.02 0.25 -4.72 115.26 114.96 1kui n ASN 193 Ca -0.09 0.23 -0.23 0.00 -0.03 0.00 0.00 54.58 54.46 1kui n ASN 193 Cb 0.69 -0.17 -0.08 0.00 -0.61 0.00 0.00 39.78 39.62 1kui n ASN 193 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1kui n ASP 194 N -3.15 1.76 -4.10 6.41 -0.08 0.35 -5.03 116.55 112.71 1kui n ASP 194 Ca -0.27 0.30 -0.47 0.00 -1.51 0.00 0.00 54.79 52.85 1kui n ASP 194 Cb 1.06 -0.72 0.01 0.00 2.34 0.00 0.00 41.12 43.82 1kui n ASP 194 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1kui n ASN 195 N -4.16 -3.87 -4.74 1.67 5.15 -0.55 -4.84 115.26 103.92 1kui n ASN 195 Ca -0.42 -1.31 -0.42 0.00 -0.60 0.00 0.00 54.58 51.84 1kui n ASN 195 Cb 0.77 -1.63 -0.02 0.00 -0.53 0.00 0.00 39.78 38.37 1kui n ASN 195 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1kui n PRO 196 N -5.07 2.69 0.20 1.20 -0.04 -1.26 -4.91 135.00 127.82 1kui n PRO 196 Ca -0.12 0.96 0.04 0.00 -0.04 0.00 0.00 63.50 64.34 1kui n PRO 196 Cb 0.57 -2.75 0.43 0.00 -0.04 0.00 0.00 33.50 31.71 1kui n PRO 196 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1kui h GLN 197 N 4.93 0.00 0.00 0.54 5.75 -1.94 -3.25 115.11 121.14 1kui h GLN 197 Ca -0.47 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.01 1kui h GLN 197 Cb 1.22 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.77 1kui h GLN 197 CO 0.80 0.29 -0.12 0.00 -2.65 0.00 0.00 178.83 177.16 1kui n ILE 199 N -3.87 0.19 0.08 0.00 -5.35 -1.23 -3.17 119.36 106.02 1kui n ILE 199 Ca -0.02 -0.33 0.07 0.00 -0.27 0.00 0.00 62.75 62.20 1kui n ILE 199 Cb 0.22 0.34 -0.03 0.00 -1.74 0.00 0.00 39.64 38.44 1kui n ILE 199 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1kui h LEU 200 N 2.11 0.00 -8.86 7.28 -0.00 -1.43 0.49 115.31 114.90 1kui h LEU 200 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 57.88 57.29 1kui h LEU 200 Cb 0.46 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.03 1kui h LEU 200 CO 0.00 0.23 0.59 0.20 -0.00 0.00 0.00 178.44 179.46 1kui s ASN 201 N -5.57 6.71 0.59 -0.43 0.01 -1.19 -4.85 114.94 110.20 1kui s ASN 201 Ca -0.01 0.65 -0.16 0.00 -0.71 0.00 0.00 52.86 52.63 1kui s ASN 201 Cb 0.09 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 1kui s ASN 201 CO 0.79 -0.81 1.06 0.00 -1.51 0.00 0.00 177.10 176.63 1kui s ALA 202 N 3.40 2.74 -1.89 0.60 0.00 -1.26 -4.75 121.76 120.60 1kui s ALA 202 Ca 0.38 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1kui s ALA 202 Cb -0.12 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1kui s ALA 202 CO 0.17 -0.79 0.47 -2.30 0.00 0.00 0.00 175.76 173.32