#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zem s LYS 4 N 0.00 1.08 0.00 1.97 2.36 -1.25 -3.38 119.74 120.51 1zem s LYS 4 Ca 0.00 -0.40 0.00 0.00 -2.55 0.00 0.00 55.97 53.02 1zem s LYS 4 Cb 0.00 -1.94 0.00 0.00 -1.05 0.00 0.00 37.83 34.84 1zem s LYS 4 CO 0.00 -2.09 0.00 1.19 1.55 0.00 0.00 175.35 176.00 1zem n PHE 5 N -3.53 0.00 -1.82 4.03 0.99 -1.25 -4.32 117.46 111.56 1zem n PHE 5 Ca 0.14 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.17 1zem n PHE 5 Cb 0.60 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 39.05 1zem n PHE 5 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 1zem s ASN 6 N -3.13 6.46 0.00 4.37 0.01 -1.22 -0.79 114.94 120.65 1zem s ASN 6 Ca 0.00 2.79 0.00 0.00 -0.71 0.00 0.00 52.86 54.94 1zem s ASN 6 Cb 0.00 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1zem s ASN 6 CO 0.00 -0.90 0.00 0.61 -1.51 0.00 0.00 177.10 175.30 1zem n GLY 7 N 3.45 2.31 3.83 0.66 0.00 -1.25 -5.01 105.19 109.19 1zem n GLY 7 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1zem n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zem s LYS 8 N -0.52 4.12 -0.15 1.61 -0.14 0.03 -4.94 119.74 119.75 1zem s LYS 8 Ca 0.00 1.00 0.02 0.00 -1.36 0.00 0.00 55.97 55.62 1zem s LYS 8 Cb 0.00 -2.21 0.01 0.00 -1.68 0.00 0.00 37.83 33.95 1zem s LYS 8 CO 0.00 -0.06 -0.20 0.08 -0.76 0.00 0.00 175.35 174.42 1zem s VAL 9 N -2.26 1.93 -0.11 3.17 1.01 -1.26 -1.03 120.40 121.84 1zem s VAL 9 Ca 0.60 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1zem s VAL 9 Cb -0.09 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1zem s VAL 9 CO 0.18 0.52 -0.17 0.00 0.00 0.00 0.00 175.10 175.63 1zem s LEU 11 N 0.18 4.25 -0.24 0.00 2.96 -0.46 -1.29 118.68 124.07 1zem s LEU 11 Ca -0.10 0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.90 1zem s LEU 11 Cb -0.16 -2.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.87 1zem s LEU 11 CO 0.06 -0.45 0.04 -0.69 -1.32 0.00 0.00 176.35 173.99 1zem s VAL 12 N 2.43 4.05 0.22 1.68 1.01 -0.30 -1.37 120.40 128.11 1zem s VAL 12 Ca 0.20 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 1zem s VAL 12 Cb -0.15 -2.89 -0.06 0.00 0.00 0.00 0.00 36.38 33.28 1zem s VAL 12 CO 0.12 0.35 0.47 0.42 0.00 0.00 0.00 175.10 176.47 1zem s THR 13 N 1.57 5.07 -1.09 3.92 -4.23 -0.76 -1.01 115.64 119.12 1zem s THR 13 Ca 0.06 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 1zem s THR 13 Cb -0.15 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.02 1zem s THR 13 CO 0.02 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1zem n GLY 14 N -0.38 1.11 0.38 3.99 0.00 0.30 -3.04 105.19 107.55 1zem n GLY 14 Ca -0.02 -0.55 0.20 0.00 0.00 0.00 0.00 46.02 45.66 1zem n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zem h ALA 15 N 0.03 2.25 0.00 4.61 0.00 -1.47 -0.09 119.26 124.59 1zem h ALA 15 Ca -0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1zem h ALA 15 Cb 0.71 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1zem h ALA 15 CO 0.31 -0.62 -0.43 0.41 0.00 0.00 0.00 179.25 178.92 1zem n GLY 16 N -1.54 -1.35 3.89 0.00 0.00 -1.26 -2.73 105.19 102.19 1zem n GLY 16 Ca 0.08 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 1zem n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1zem s GLY 17 N -3.19 1.69 0.10 -0.02 0.00 -0.05 -4.79 107.32 101.05 1zem s GLY 17 Ca 0.10 -0.95 -0.31 0.00 0.00 0.00 0.00 44.72 43.56 1zem s GLY 17 CO 0.67 -0.29 1.50 3.43 0.00 0.00 0.00 173.10 178.42 1zem h ASN 18 N -1.47 -1.47 -0.32 1.64 2.35 -1.90 -0.26 115.58 114.15 1zem h ASN 18 Ca -0.45 0.16 -0.16 0.00 -0.55 0.00 0.00 56.30 55.30 1zem h ASN 18 Cb 1.28 0.55 -0.00 0.00 0.05 0.00 0.00 38.32 40.20 1zem h ASN 18 CO 0.49 -0.49 -0.41 0.40 -1.65 0.00 0.00 177.43 175.78 1zem h ILE 19 N -0.65 1.28 -0.51 2.81 2.04 -1.93 -2.08 117.51 118.47 1zem h ILE 19 Ca 0.00 -1.59 0.01 0.00 1.00 0.00 0.00 64.86 64.28 1zem h ILE 19 Cb 0.67 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1zem h ILE 19 CO -0.29 0.52 0.34 1.23 0.00 0.00 0.00 178.15 179.94 1zem h GLY 20 N 0.62 0.72 0.64 5.37 0.00 -1.69 0.06 103.07 108.79 1zem h GLY 20 Ca 0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1zem h GLY 20 CO 0.10 0.26 -0.00 -2.00 0.00 0.00 0.00 176.54 174.89 1zem h LEU 21 N 0.69 0.01 -1.38 3.11 5.85 -0.84 0.74 115.31 123.49 1zem h LEU 21 Ca 0.19 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.63 1zem h LEU 21 Cb -0.07 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 1zem h LEU 21 CO -0.05 0.37 0.49 0.00 -0.34 0.00 0.00 178.44 178.91 1zem h ALA 22 N 0.64 1.74 -0.00 1.25 0.00 -1.25 0.16 119.26 121.80 1zem h ALA 22 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1zem h ALA 22 Cb 0.37 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.00 1zem h ALA 22 CO 0.00 0.12 -0.92 1.15 0.00 0.00 0.00 179.25 179.60 1zem h THR 23 N 0.73 1.32 -0.92 0.00 2.02 -0.83 -2.19 112.91 113.03 1zem h THR 23 Ca 0.33 -2.20 -0.00 0.00 0.77 0.00 0.00 66.41 65.32 1zem h THR 23 Cb 0.36 2.44 -0.04 0.00 -1.74 0.00 0.00 68.15 69.16 1zem h THR 23 CO -0.12 0.67 0.56 0.00 0.37 0.00 0.00 175.52 177.01 1zem h ALA 24 N 0.38 1.17 -0.49 6.16 0.00 -0.08 -0.23 119.26 126.17 1zem h ALA 24 Ca -0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1zem h ALA 24 Cb 1.59 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1zem h ALA 24 CO 0.18 0.61 0.25 -0.07 0.00 0.00 0.00 179.25 180.22 1zem h LEU 25 N 1.26 0.62 -0.50 0.00 3.38 -0.65 -0.45 115.31 118.97 1zem h LEU 25 Ca 0.33 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1zem h LEU 25 Cb -0.07 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1zem h LEU 25 CO -0.06 0.56 0.16 -0.09 0.09 0.00 0.00 178.44 179.10 1zem h ARG 26 N 0.64 0.77 -0.19 1.13 9.65 -0.87 -0.87 114.38 124.64 1zem h ARG 26 Ca 0.17 -0.16 -0.09 0.00 -1.10 0.00 0.00 59.98 58.80 1zem h ARG 26 Cb 0.09 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 1zem h ARG 26 CO -0.02 0.71 -0.26 -0.07 2.80 0.00 0.00 179.97 183.13 1zem h LEU 27 N 0.67 0.36 -0.74 3.80 3.38 -0.78 -1.89 115.31 120.12 1zem h LEU 27 Ca 0.16 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1zem h LEU 27 Cb 0.26 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1zem h LEU 27 CO -0.01 0.63 -0.10 0.00 0.09 0.00 0.00 178.44 179.05 1zem h ALA 28 N 1.40 0.93 0.00 1.53 0.00 -0.61 -0.24 119.26 122.27 1zem h ALA 28 Ca 0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1zem h ALA 28 Cb 0.64 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1zem h ALA 28 CO 0.05 0.63 -0.02 0.93 0.00 0.00 0.00 179.25 180.83 1zem h GLU 29 N 0.77 0.00 -0.18 0.00 5.08 -0.34 0.07 114.58 119.98 1zem h GLU 29 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1zem h GLU 29 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1zem h GLU 29 CO 0.04 0.02 0.00 0.39 -1.00 0.00 0.00 179.01 178.46 1zem n GLU 30 N -3.92 1.70 -0.13 2.33 -0.58 -0.79 -4.91 120.64 114.34 1zem n GLU 30 Ca -0.03 -1.05 0.00 0.00 -0.42 0.00 0.00 57.16 55.66 1zem n GLU 30 Cb 0.11 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 1zem n GLU 30 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1zem n GLY 31 N 1.10 0.64 3.73 0.62 0.00 0.01 -3.42 105.19 107.87 1zem n GLY 31 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1zem n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zem s THR 32 N -2.21 4.16 0.15 2.61 2.01 -0.17 -3.84 115.64 118.35 1zem s THR 32 Ca 0.00 1.76 -0.27 0.00 0.31 0.00 0.00 61.69 63.50 1zem s THR 32 Cb 0.00 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.31 1zem s THR 32 CO 0.00 0.25 0.82 0.00 -0.69 0.00 0.00 174.62 175.01 1zem s ALA 33 N 0.13 3.39 -0.15 7.40 0.00 -0.20 -4.00 121.76 128.34 1zem s ALA 33 Ca 0.50 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1zem s ALA 33 Cb -0.27 -3.04 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 1zem s ALA 33 CO 0.32 0.20 -0.15 0.42 0.00 0.00 0.00 175.76 176.55 1zem s ILE 34 N -0.84 2.74 -0.40 0.00 -1.09 -0.81 -0.82 121.20 119.99 1zem s ILE 34 Ca 0.38 -0.75 -0.11 0.00 -2.23 0.00 0.00 60.65 57.94 1zem s ILE 34 Cb -0.23 -2.15 0.04 0.00 -1.58 0.00 0.00 42.46 38.54 1zem s ILE 34 CO 0.27 0.52 0.25 0.00 -1.23 0.00 0.00 174.94 174.74 1zem s ALA 35 N 0.70 3.33 -0.17 9.38 0.00 -0.41 -1.80 121.76 132.78 1zem s ALA 35 Ca -0.07 -1.86 -0.20 0.00 0.00 0.00 0.00 51.96 49.82 1zem s ALA 35 Cb -0.16 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 1zem s ALA 35 CO 0.02 -1.50 0.60 -0.51 0.00 0.00 0.00 175.76 174.37 1zem s LEU 36 N 1.54 4.18 -0.10 0.00 1.02 0.56 -1.15 118.68 124.73 1zem s LEU 36 Ca 0.03 0.84 0.03 0.00 0.02 0.00 0.00 54.13 55.05 1zem s LEU 36 Cb -0.21 -2.85 0.01 0.00 0.02 0.00 0.00 46.19 43.16 1zem s LEU 36 CO 0.06 -0.20 -0.21 -0.22 0.02 0.00 0.00 176.35 175.79 1zem s LEU 37 N 1.57 2.00 0.15 1.79 0.20 -0.18 0.10 118.68 124.31 1zem s LEU 37 Ca 0.28 -0.52 -0.24 0.00 0.69 0.00 0.00 54.13 54.34 1zem s LEU 37 Cb -0.16 -1.31 0.07 0.00 -0.43 0.00 0.00 46.19 44.36 1zem s LEU 37 CO 0.11 0.11 0.75 -0.62 -0.29 0.00 0.00 176.35 176.41 1zem s ASP 38 N 0.54 -0.39 0.20 3.68 2.15 -1.02 -0.54 116.67 121.28 1zem s ASP 38 Ca -0.15 -0.19 0.21 0.00 0.43 0.00 0.00 52.55 52.85 1zem s ASP 38 Cb -0.17 0.56 0.01 0.00 -0.30 0.00 0.00 42.92 43.02 1zem s ASP 38 CO 0.05 -0.96 1.07 -0.03 -0.17 0.00 0.00 175.17 175.13 1zem h MET 39 N 2.00 0.00 -4.93 4.34 -1.53 -1.85 -0.46 114.93 112.50 1zem h MET 39 Ca -0.26 0.00 -0.68 0.00 -3.44 0.00 0.00 59.70 55.32 1zem h MET 39 Cb 1.27 0.00 -0.18 0.00 -0.55 0.00 0.00 31.60 32.14 1zem h MET 39 CO 0.31 0.08 0.26 1.21 0.14 0.00 0.00 176.91 178.91 1zem s ASN 40 N -5.58 6.18 0.15 1.39 3.84 -1.26 -4.77 114.94 114.89 1zem s ASN 40 Ca -0.00 -1.30 -0.20 0.00 0.21 0.00 0.00 52.86 51.57 1zem s ASN 40 Cb 0.09 -2.34 0.05 0.00 -0.55 0.00 0.00 41.25 38.49 1zem s ASN 40 CO 0.78 -1.22 1.65 0.03 -2.79 0.00 0.00 177.10 175.55 1zem h ARG 41 N 9.31 -0.15 -0.85 0.43 3.08 -1.99 -1.79 114.38 122.42 1zem h ARG 41 Ca -0.29 0.01 0.07 0.00 0.07 0.00 0.00 59.98 59.84 1zem h ARG 41 Cb 1.08 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.10 1zem h ARG 41 CO 1.13 -0.10 0.52 1.49 -1.07 0.00 0.00 179.97 181.94 1zem h GLU 42 N -0.16 0.90 -0.55 0.04 4.81 -2.01 -1.61 114.58 116.01 1zem h GLU 42 Ca 0.15 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1zem h GLU 42 Cb 0.39 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1zem h GLU 42 CO -0.38 0.59 0.19 0.00 -0.73 0.00 0.00 179.01 178.68 1zem h ALA 43 N 1.42 1.30 -0.30 2.92 0.00 -1.74 -2.80 119.26 120.04 1zem h ALA 43 Ca 0.38 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1zem h ALA 43 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1zem h ALA 43 CO -0.19 0.51 0.08 -0.07 0.00 0.00 0.00 179.25 179.58 1zem h LEU 44 N 0.79 0.46 -0.36 0.00 3.38 -0.49 -0.19 115.31 118.90 1zem h LEU 44 Ca 0.18 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.00 1zem h LEU 44 Cb 0.21 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1zem h LEU 44 CO -0.01 0.57 -0.06 -0.33 0.09 0.00 0.00 178.44 178.70 1zem h GLU 45 N 0.33 0.03 -0.66 1.13 5.08 -1.17 1.49 114.58 120.81 1zem h GLU 45 Ca 0.10 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1zem h GLU 45 Cb 0.28 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1zem h GLU 45 CO 0.00 0.02 0.27 0.87 -1.00 0.00 0.00 179.01 179.18 1zem h LYS 46 N 0.03 0.98 -0.26 2.33 1.57 -1.39 -0.86 116.57 118.98 1zem h LYS 46 Ca 0.17 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1zem h LYS 46 Cb 0.26 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1zem h LYS 46 CO -0.34 0.81 -0.10 0.00 -0.57 0.00 0.00 179.45 179.25 1zem h ALA 47 N 1.12 0.36 -0.74 3.86 0.00 0.82 -2.20 119.26 122.47 1zem h ALA 47 Ca 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1zem h ALA 47 Cb 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1zem h ALA 47 CO -0.02 0.20 0.42 1.49 0.00 0.00 0.00 179.25 181.34 1zem h GLU 48 N 0.26 1.03 -0.71 0.00 4.81 0.21 -2.24 114.58 117.93 1zem h GLU 48 Ca 0.06 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1zem h GLU 48 Cb 0.60 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1zem h GLU 48 CO 0.03 0.75 0.44 0.00 -0.73 0.00 0.00 179.01 179.51 1zem h ALA 49 N 1.22 0.91 -0.50 2.92 0.00 -0.90 -1.58 119.26 121.33 1zem h ALA 49 Ca 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1zem h ALA 49 Cb 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1zem h ALA 49 CO -0.04 0.37 0.30 0.77 0.00 0.00 0.00 179.25 180.64 1zem h SER 50 N 0.97 0.60 -0.54 0.00 0.02 -0.96 -2.77 113.55 110.87 1zem h SER 50 Ca 0.26 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1zem h SER 50 Cb -0.05 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1zem h SER 50 CO -0.05 0.48 0.31 0.58 -1.14 0.00 0.00 176.83 177.01 1zem h VAL 51 N 0.66 1.17 -0.99 2.27 2.07 -1.17 -2.78 116.25 117.49 1zem h VAL 51 Ca 0.18 -0.43 0.14 0.00 0.82 0.00 0.00 66.70 67.41 1zem h VAL 51 Cb -0.00 0.47 -0.09 0.00 -1.52 0.00 0.00 31.29 30.15 1zem h VAL 51 CO -0.03 0.18 0.62 0.03 0.02 0.00 0.00 177.57 178.39 1zem h ARG 52 N 0.73 0.86 0.00 1.57 3.08 -1.01 0.24 114.38 119.85 1zem h ARG 52 Ca 0.19 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1zem h ARG 52 Cb 0.02 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1zem h ARG 52 CO -0.03 0.57 0.00 0.39 -1.07 0.00 0.00 179.97 179.83 1zem n GLU 53 N -4.64 0.01 0.00 0.04 -0.58 -1.05 0.33 120.64 114.76 1zem n GLU 53 Ca 0.20 0.40 0.14 0.00 -0.42 0.00 0.00 57.16 57.47 1zem n GLU 53 Cb 0.43 -1.50 0.56 0.00 -0.57 0.00 0.00 31.44 30.35 1zem n GLU 53 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1zem n LYS 54 N -1.48 0.63 -1.83 3.49 4.01 0.84 -4.95 118.16 118.86 1zem n LYS 54 Ca 0.01 -0.24 -0.05 0.00 -0.51 0.00 0.00 58.31 57.52 1zem n LYS 54 Cb 0.06 -1.49 -0.01 0.00 -0.51 0.00 0.00 35.03 33.07 1zem n LYS 54 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1zem n GLY 55 N 1.31 0.33 3.65 0.72 0.00 0.15 -4.86 105.19 106.50 1zem n GLY 55 Ca 0.13 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 1zem n GLY 55 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1zem s VAL 56 N -2.24 2.22 0.31 1.61 -7.23 -1.26 -5.10 120.40 108.71 1zem s VAL 56 Ca 0.00 -1.92 -0.27 0.00 -1.81 0.00 0.00 61.98 57.99 1zem s VAL 56 Cb 0.00 -2.94 -0.10 0.00 0.56 0.00 0.00 36.38 33.91 1zem s VAL 56 CO 0.00 -0.05 0.97 -0.70 -0.31 0.00 0.00 175.10 175.01 1zem s GLU 57 N -3.76 4.60 -0.07 4.82 2.12 -1.26 -4.62 118.70 120.52 1zem s GLU 57 Ca 0.37 1.42 -0.10 0.00 0.36 0.00 0.00 54.97 57.02 1zem s GLU 57 Cb 0.06 -2.90 0.02 0.00 0.26 0.00 0.00 34.13 31.57 1zem s GLU 57 CO 0.20 0.28 0.25 0.00 -0.54 0.00 0.00 175.26 175.44 1zem s ALA 58 N -1.50 -0.62 0.00 6.30 0.00 -1.26 -1.93 121.76 122.75 1zem s ALA 58 Ca 0.49 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 1zem s ALA 58 Cb -0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 1zem s ALA 58 CO 0.27 -0.15 0.02 1.03 0.00 0.00 0.00 175.76 176.93 1zem s ARG 59 N -0.26 0.20 -0.01 0.00 0.52 -0.75 -5.01 118.95 113.65 1zem s ARG 59 Ca -0.04 -0.26 -0.01 0.00 -0.52 0.00 0.00 55.73 54.91 1zem s ARG 59 Cb -0.03 0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.48 1zem s ARG 59 CO 0.01 -0.04 0.08 -1.12 0.02 0.00 0.00 175.30 174.26 1zem s SER 60 N -0.72 5.69 -0.14 0.23 0.01 -1.26 -0.32 113.70 117.19 1zem s SER 60 Ca -0.08 0.15 -0.03 0.00 1.31 0.00 0.00 55.95 57.30 1zem s SER 60 Cb -0.05 -1.64 0.05 0.00 0.21 0.00 0.00 66.02 64.59 1zem s SER 60 CO -0.00 0.28 0.06 -0.31 0.41 0.00 0.00 173.24 173.67 1zem s TYR 61 N -1.19 0.47 -0.14 2.43 1.51 0.11 -4.92 117.35 115.63 1zem s TYR 61 Ca 0.23 -0.35 -0.29 0.00 -1.01 0.00 0.00 57.07 55.64 1zem s TYR 61 Cb -0.12 -0.77 -0.02 0.00 -0.11 0.00 0.00 41.96 40.94 1zem s TYR 61 CO 0.14 -0.46 1.35 0.08 -1.11 0.00 0.00 175.55 175.55 1zem s VAL 62 N 2.04 4.12 -0.23 0.71 1.01 -1.26 -2.44 120.40 124.35 1zem s VAL 62 Ca 0.02 1.35 -0.17 0.00 0.00 0.00 0.00 61.98 63.18 1zem s VAL 62 Cb -0.15 -3.87 0.07 0.00 0.00 0.00 0.00 36.38 32.42 1zem s VAL 62 CO -0.07 -0.12 0.59 0.00 0.00 0.00 0.00 175.10 175.50 1zem s ASP 64 N 0.93 6.17 0.31 0.00 3.68 -1.26 -3.11 116.67 123.39 1zem s ASP 64 Ca -0.05 -1.03 0.19 0.00 2.13 0.00 0.00 52.55 53.78 1zem s ASP 64 Cb -0.05 -2.21 1.02 0.00 -1.45 0.00 0.00 42.92 40.23 1zem s ASP 64 CO -0.08 -0.65 1.55 1.33 0.13 0.00 0.00 175.17 177.44 1zem n VAL 65 N 5.33 0.96 1.28 1.11 0.24 -1.26 -1.30 118.33 124.70 1zem n VAL 65 Ca -0.10 0.73 0.14 0.00 -2.04 0.00 0.00 64.34 63.08 1zem n VAL 65 Cb 0.45 -1.73 0.71 0.00 -1.47 0.00 0.00 33.84 31.80 1zem n VAL 65 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1zem n THR 66 N -2.18 0.01 -3.40 3.34 -2.24 -1.26 -4.36 114.28 104.18 1zem n THR 66 Ca -0.01 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.33 1zem n THR 66 Cb 0.10 -0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 67.76 1zem n THR 66 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1zem s SER 67 N -2.71 6.01 0.40 3.42 0.15 -0.42 -4.92 113.70 115.63 1zem s SER 67 Ca 0.24 -1.82 0.08 0.00 0.70 0.00 0.00 55.95 55.15 1zem s SER 67 Cb 0.20 -2.13 0.87 0.00 -1.71 0.00 0.00 66.02 63.24 1zem s SER 67 CO 0.48 -0.79 2.02 -0.08 1.20 0.00 0.00 173.24 176.07 1zem h GLU 68 N 8.72 0.56 -0.86 5.44 4.81 -1.85 -0.67 114.58 130.74 1zem h GLU 68 Ca -0.27 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1zem h GLU 68 Cb 1.09 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 1zem h GLU 68 CO 0.97 0.37 0.47 1.49 -0.73 0.00 0.00 179.01 181.57 1zem h GLU 69 N 0.57 1.20 -0.20 1.92 4.81 -1.95 -0.11 114.58 120.82 1zem h GLU 69 Ca 0.22 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1zem h GLU 69 Cb 0.15 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1zem h GLU 69 CO -0.06 0.88 -0.01 0.00 -0.73 0.00 0.00 179.01 179.09 1zem h ALA 70 N 1.25 0.27 -0.34 2.92 0.00 -1.57 -2.56 119.26 119.24 1zem h ALA 70 Ca 0.30 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1zem h ALA 70 Cb 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1zem h ALA 70 CO -0.05 0.01 0.04 0.28 0.00 0.00 0.00 179.25 179.53 1zem h VAL 71 N 0.11 0.79 -0.60 0.00 2.07 -0.66 -1.24 116.25 116.73 1zem h VAL 71 Ca 0.06 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1zem h VAL 71 Cb 0.42 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1zem h VAL 71 CO 0.01 0.03 0.40 0.40 0.02 0.00 0.00 177.57 178.42 1zem h ILE 72 N 0.14 1.15 -0.62 4.57 2.04 -0.95 -0.46 117.51 123.38 1zem h ILE 72 Ca 0.16 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 1zem h ILE 72 Cb 0.20 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 1zem h ILE 72 CO -0.24 0.15 0.10 1.23 0.00 0.00 0.00 178.15 179.38 1zem h GLY 73 N 0.81 1.10 0.96 5.37 0.00 -1.20 -0.24 103.07 109.87 1zem h GLY 73 Ca 0.22 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1zem h GLY 73 CO -0.05 0.68 0.17 -0.84 0.00 0.00 0.00 176.54 176.50 1zem h THR 74 N 0.93 1.14 -0.43 4.70 2.02 -0.82 0.24 112.91 120.68 1zem h THR 74 Ca 0.19 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1zem h THR 74 Cb 0.43 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1zem h THR 74 CO 0.01 0.14 0.29 0.58 0.37 0.00 0.00 175.52 176.91 1zem h VAL 75 N 0.38 1.11 -0.70 3.16 2.07 -0.73 0.18 116.25 121.73 1zem h VAL 75 Ca 0.11 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.49 1zem h VAL 75 Cb 0.07 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 1zem h VAL 75 CO -0.02 0.11 0.37 0.44 0.02 0.00 0.00 177.57 178.50 1zem h ASP 76 N 0.59 0.53 -0.52 0.57 3.32 -0.64 -1.40 116.42 118.87 1zem h ASP 76 Ca 0.16 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1zem h ASP 76 Cb -0.06 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1zem h ASP 76 CO -0.03 0.32 0.33 0.28 -1.72 0.00 0.00 179.24 178.42 1zem h SER 77 N 0.66 0.61 -0.86 6.45 0.02 0.03 -0.85 113.55 119.61 1zem h SER 77 Ca 0.33 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1zem h SER 77 Cb 0.27 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1zem h SER 77 CO -0.22 0.47 0.49 0.58 -1.14 0.00 0.00 176.83 177.01 1zem h VAL 78 N 0.70 1.25 -0.39 2.27 2.07 0.28 0.10 116.25 122.53 1zem h VAL 78 Ca 0.19 -0.58 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1zem h VAL 78 Cb -0.05 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.77 1zem h VAL 78 CO -0.04 0.27 -0.08 0.58 0.02 0.00 0.00 177.57 178.32 1zem h VAL 79 N 1.19 1.24 0.00 2.57 2.07 -0.89 0.27 116.25 122.70 1zem h VAL 79 Ca 0.31 -1.06 -0.18 0.00 0.82 0.00 0.00 66.70 66.59 1zem h VAL 79 Cb -0.01 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1zem h VAL 79 CO -0.05 0.36 -0.85 0.08 0.02 0.00 0.00 177.57 177.12 1zem h ARG 80 N 0.62 0.00 0.15 1.57 0.11 -0.64 0.29 114.38 116.48 1zem h ARG 80 Ca 0.11 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.89 1zem h ARG 80 Cb 0.51 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.62 1zem h ARG 80 CO 0.03 0.85 -1.29 -0.44 0.10 0.00 0.00 179.97 179.22 1zem h ASP 81 N 0.00 0.82 0.00 0.08 5.19 -0.39 -3.37 116.42 118.75 1zem h ASP 81 Ca -0.01 -0.79 0.00 0.00 -0.62 0.00 0.00 57.03 55.61 1zem h ASP 81 Cb 1.57 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.82 1zem h ASP 81 CO 0.11 1.60 -1.25 0.49 -3.12 0.00 0.00 179.24 177.07 1zem n PHE 82 N -3.75 0.00 0.00 4.55 3.01 0.90 -5.01 117.46 117.16 1zem n PHE 82 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.32 1zem n PHE 82 Cb 1.01 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 40.29 1zem n PHE 82 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1zem n GLY 83 N 1.57 2.71 3.80 1.37 0.00 0.10 -4.95 105.19 109.80 1zem n GLY 83 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1zem n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zem s LYS 84 N -0.45 0.73 -0.24 1.61 -2.85 -1.25 -4.93 119.74 112.37 1zem s LYS 84 Ca 0.00 -0.44 -0.04 0.00 -1.00 0.00 0.00 55.97 54.49 1zem s LYS 84 Cb 0.00 0.22 0.08 0.00 -2.06 0.00 0.00 37.83 36.07 1zem s LYS 84 CO 0.00 -0.34 0.10 0.42 0.10 0.00 0.00 175.35 175.63 1zem s ILE 85 N -2.39 0.14 0.01 3.79 1.01 -1.26 -4.74 121.20 117.75 1zem s ILE 85 Ca 0.20 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 60.14 1zem s ILE 85 Cb 0.01 -0.94 -0.31 0.00 0.01 0.00 0.00 42.46 41.23 1zem s ILE 85 CO 0.00 -0.49 0.90 0.44 0.00 0.00 0.00 174.94 175.79 1zem h ASP 86 N 8.35 0.61 -4.19 3.58 5.19 -1.00 -3.45 116.42 125.50 1zem h ASP 86 Ca -0.17 -0.75 -0.57 0.00 -0.62 0.00 0.00 57.03 54.92 1zem h ASP 86 Cb 1.07 -0.20 -0.23 0.00 0.18 0.00 0.00 39.33 40.16 1zem h ASP 86 CO 0.38 1.61 -0.83 -0.36 -3.12 0.00 0.00 179.24 176.91 1zem s PHE 87 N -2.61 1.83 -0.07 4.55 0.08 -0.73 -1.53 117.98 119.51 1zem s PHE 87 Ca -0.10 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.56 1zem s PHE 87 Cb 0.06 -1.03 0.02 0.00 -0.57 0.00 0.00 43.02 41.49 1zem s PHE 87 CO 0.89 0.18 -0.07 -1.17 -0.10 0.00 0.00 175.22 174.95 1zem s LEU 88 N -1.69 1.30 -0.43 -0.37 2.96 -0.46 -1.36 118.68 118.62 1zem s LEU 88 Ca 0.07 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.73 1zem s LEU 88 Cb -0.10 -0.63 0.11 0.00 0.50 0.00 0.00 46.19 46.08 1zem s LEU 88 CO 0.04 -0.06 0.26 0.12 -1.32 0.00 0.00 176.35 175.39 1zem s PHE 89 N 1.13 3.53 -1.01 5.38 5.36 -0.47 -0.37 117.98 131.52 1zem s PHE 89 Ca -0.07 -2.22 -0.17 0.00 -0.96 0.00 0.00 56.93 53.50 1zem s PHE 89 Cb -0.14 -3.33 0.14 0.00 -0.34 0.00 0.00 43.02 39.35 1zem s PHE 89 CO -0.01 -0.98 1.22 1.21 -1.46 0.00 0.00 175.22 175.20 1zem s ASN 90 N 2.12 6.75 -0.00 6.13 2.47 0.03 -1.83 114.94 130.62 1zem s ASN 90 Ca 0.07 -2.31 0.00 0.00 0.42 0.00 0.00 52.86 51.05 1zem s ASN 90 Cb -0.24 -2.40 -0.00 0.00 -1.45 0.00 0.00 41.25 37.16 1zem s ASN 90 CO -0.03 -0.98 0.00 -3.20 -3.72 0.00 0.00 177.10 169.17 1zem n ASN 91 N 6.34 3.71 -4.65 -4.21 2.85 -1.25 -1.31 115.26 116.74 1zem n ASN 91 Ca 0.28 -0.13 -0.45 0.00 -0.11 0.00 0.00 54.58 54.17 1zem n ASN 91 Cb 0.47 1.00 -0.02 0.00 1.24 0.00 0.00 39.78 42.47 1zem n ASN 91 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1zem n ALA 92 N -1.38 0.59 -3.61 5.20 0.00 -1.17 -4.79 120.51 115.35 1zem n ALA 92 Ca -0.00 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.76 1zem n ALA 92 Cb 0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 17.24 1zem n ALA 92 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1zem s GLY 93 N 0.04 -0.38 -0.04 0.00 0.00 -1.26 -4.77 107.32 100.90 1zem s GLY 93 Ca 0.66 0.25 0.04 0.00 0.00 0.00 0.00 44.72 45.67 1zem s GLY 93 CO 0.53 0.08 -0.15 -0.47 0.00 0.00 0.00 173.10 173.10 1zem s TYR 94 N -3.67 1.54 0.28 1.90 5.04 -1.26 -5.04 117.35 116.13 1zem s TYR 94 Ca 0.06 -0.46 0.04 0.00 -2.44 0.00 0.00 57.07 54.27 1zem s TYR 94 Cb -0.03 -1.06 0.39 0.00 0.35 0.00 0.00 41.96 41.62 1zem s TYR 94 CO -0.04 -0.18 1.68 0.37 -1.34 0.00 0.00 175.55 176.04 1zem h GLN 95 N 6.41 0.37 0.00 4.97 4.15 -2.01 -3.48 115.11 125.52 1zem h GLN 95 Ca -0.32 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1zem h GLN 95 Cb 1.18 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.86 1zem h GLN 95 CO 0.48 0.69 0.00 0.41 -1.93 0.00 0.00 178.83 178.48 1zem n GLY 96 N -0.20 -0.90 3.87 2.39 0.00 -1.26 -4.66 105.19 104.42 1zem n GLY 96 Ca -0.01 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 1zem n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zem s ALA 97 N -2.10 2.65 -0.23 4.61 0.00 -1.26 -5.05 121.76 120.38 1zem s ALA 97 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 1zem s ALA 97 Cb 0.00 -3.03 0.03 0.00 0.00 0.00 0.00 23.12 20.12 1zem s ALA 97 CO 0.00 -1.44 -0.11 -0.06 0.00 0.00 0.00 175.76 174.14 1zem s PHE 98 N -3.36 3.00 -0.19 0.00 0.40 -1.26 -4.75 117.98 111.82 1zem s PHE 98 Ca 0.60 -1.68 -0.29 0.00 -0.60 0.00 0.00 56.93 54.96 1zem s PHE 98 Cb -0.12 -1.99 0.12 0.00 0.51 0.00 0.00 43.02 41.54 1zem s PHE 98 CO 0.52 -0.77 0.96 0.00 0.70 0.00 0.00 175.22 176.63 1zem s ALA 99 N 1.28 -1.92 0.70 5.36 0.00 -0.64 -4.86 121.76 121.69 1zem s ALA 99 Ca 0.01 1.65 -0.15 0.00 0.00 0.00 0.00 51.96 53.47 1zem s ALA 99 Cb -0.16 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.13 1zem s ALA 99 CO -0.07 -0.30 1.16 -1.25 0.00 0.00 0.00 175.76 175.30 1zem s PRO 100 N -0.69 2.42 0.27 0.00 0.04 -1.26 -4.26 135.00 131.52 1zem s PRO 100 Ca -0.01 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 1zem s PRO 100 Cb -0.02 -1.88 0.58 0.00 0.04 0.00 0.00 34.50 33.22 1zem s PRO 100 CO 0.00 -1.58 1.71 -0.24 0.04 0.00 0.00 177.00 176.93 1zem h VAL 101 N -0.17 0.55 0.00 -0.36 3.04 -1.97 0.26 116.25 117.61 1zem h VAL 101 Ca -0.47 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1zem h VAL 101 Cb 1.27 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.66 1zem h VAL 101 CO 0.51 0.07 0.04 0.06 -1.01 0.00 0.00 177.57 177.25 1zem h GLN 102 N 0.41 0.00 0.00 4.17 -0.00 -2.05 -2.47 115.11 115.16 1zem h GLN 102 Ca 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.12 1zem h GLN 102 Cb 0.84 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.29 1zem h GLN 102 CO -0.48 0.00 -0.29 -0.25 -0.00 0.00 0.00 178.83 177.81 1zem n ASP 103 N -2.79 1.42 -4.72 0.06 10.43 0.02 -5.06 116.55 115.91 1zem n ASP 103 Ca -0.02 -2.74 -0.42 0.00 2.57 0.00 0.00 54.79 54.18 1zem n ASP 103 Cb 0.10 -0.36 -0.03 0.00 1.84 0.00 0.00 41.12 42.67 1zem n ASP 103 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1zem s TYR 104 N -1.77 3.56 -0.00 1.24 5.04 -0.85 -4.78 117.35 119.78 1zem s TYR 104 Ca 0.22 1.51 -0.30 0.00 -2.44 0.00 0.00 57.07 56.06 1zem s TYR 104 Cb 0.20 -3.28 -0.08 0.00 0.35 0.00 0.00 41.96 39.15 1zem s TYR 104 CO -0.00 -0.68 1.98 -1.25 -1.34 0.00 0.00 175.55 174.25 1zem s PRO 105 N 0.75 4.01 0.35 4.97 0.04 -1.26 -4.88 135.00 138.97 1zem s PRO 105 Ca 0.54 2.50 0.06 0.00 0.04 0.00 0.00 61.00 64.15 1zem s PRO 105 Cb -0.26 -4.18 0.64 0.00 0.04 0.00 0.00 34.50 30.73 1zem s PRO 105 CO 0.30 -1.10 1.86 0.77 0.04 0.00 0.00 177.00 178.87 1zem h SER 106 N 11.10 0.38 -0.26 6.66 0.02 -1.99 -1.14 113.55 128.32 1zem h SER 106 Ca -0.48 -0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 60.21 1zem h SER 106 Cb 1.23 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1zem h SER 106 CO 0.94 0.52 -0.54 -2.24 -1.14 0.00 0.00 176.83 174.37 1zem h ASP 107 N 0.38 0.93 -0.70 3.07 2.03 -2.00 -2.84 116.42 117.30 1zem h ASP 107 Ca 0.08 -0.55 -0.04 0.00 -0.73 0.00 0.00 57.03 55.79 1zem h ASP 107 Cb 0.41 -0.27 -0.03 0.00 -0.83 0.00 0.00 39.33 38.61 1zem h ASP 107 CO 0.02 1.30 0.29 -0.78 -1.03 0.00 0.00 179.24 179.04 1zem h ASP 108 N 0.59 0.97 -0.06 4.15 1.82 -1.86 -0.17 116.42 121.87 1zem h ASP 108 Ca 0.01 -0.14 0.02 0.00 -0.39 0.00 0.00 57.03 56.53 1zem h ASP 108 Cb 1.15 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 40.89 1zem h ASP 108 CO 0.12 0.86 -0.08 0.15 -1.61 0.00 0.00 179.24 178.68 1zem h PHE 109 N 1.04 -0.19 -0.68 0.28 3.57 -1.12 0.15 116.94 119.99 1zem h PHE 109 Ca 0.24 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1zem h PHE 109 Cb 0.19 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1zem h PHE 109 CO 0.02 -0.12 0.31 0.00 -2.23 0.00 0.00 178.31 176.29 1zem h ALA 110 N 0.94 1.28 -0.38 2.41 0.00 -1.27 -2.33 119.26 119.91 1zem h ALA 110 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1zem h ALA 110 Cb 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1zem h ALA 110 CO -0.13 0.55 0.17 -0.09 0.00 0.00 0.00 179.25 179.75 1zem h ARG 111 N 0.96 0.55 -0.56 0.00 2.43 -0.12 -1.29 114.38 116.36 1zem h ARG 111 Ca 0.23 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1zem h ARG 111 Cb 0.12 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1zem h ARG 111 CO -0.03 0.51 0.33 0.28 -1.51 0.00 0.00 179.97 179.56 1zem h VAL 112 N 0.47 1.17 -0.61 0.20 2.07 -0.46 -1.38 116.25 117.71 1zem h VAL 112 Ca 0.13 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.16 1zem h VAL 112 Cb 0.15 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1zem h VAL 112 CO -0.01 0.18 0.01 -0.07 0.02 0.00 0.00 177.57 177.69 1zem h LEU 113 N 0.75 1.04 -0.69 2.57 3.38 -1.24 -0.46 115.31 120.67 1zem h LEU 113 Ca 0.20 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1zem h LEU 113 Cb -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1zem h LEU 113 CO -0.04 1.09 -0.16 0.74 0.09 0.00 0.00 178.44 180.16 1zem h THR 114 N 0.97 1.27 0.08 0.22 2.02 -0.90 0.34 112.91 116.91 1zem h THR 114 Ca 0.17 -1.27 -0.14 0.00 0.77 0.00 0.00 66.41 65.95 1zem h THR 114 Cb 0.55 1.09 0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1zem h THR 114 CO 0.03 0.43 -0.59 0.40 0.37 0.00 0.00 175.52 176.16 1zem h ILE 115 N 0.75 1.55 0.00 3.11 2.04 -1.20 0.19 117.51 123.96 1zem h ILE 115 Ca 0.11 -2.38 -0.07 0.00 1.00 0.00 0.00 64.86 63.52 1zem h ILE 115 Cb 0.67 3.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.85 1zem h ILE 115 CO 0.05 0.67 -0.58 0.78 0.00 0.00 0.00 178.15 179.07 1zem h ASN 116 N -0.45 0.00 0.00 1.72 2.35 -1.09 -3.26 115.58 114.84 1zem h ASN 116 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1zem h ASN 116 Cb 1.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.79 1zem h ASN 116 CO 0.11 0.32 -0.35 0.52 -1.65 0.00 0.00 177.43 176.38 1zem n VAL 117 N -3.07 1.08 -0.16 2.81 0.31 0.05 -4.33 118.33 115.01 1zem n VAL 117 Ca 0.00 0.28 -0.07 0.00 -0.01 0.00 0.00 64.34 64.55 1zem n VAL 117 Cb 0.67 -1.78 0.02 0.00 -0.91 0.00 0.00 33.84 31.85 1zem n VAL 117 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1zem h THR 118 N -0.35 1.09 -0.46 2.52 2.02 -1.36 0.67 112.91 117.04 1zem h THR 118 Ca 0.00 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1zem h THR 118 Cb 0.35 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1zem h THR 118 CO 0.00 0.12 0.13 1.23 0.37 0.00 0.00 175.52 177.37 1zem h GLY 119 N 0.63 0.73 1.74 2.16 0.00 -0.65 -0.64 103.07 107.04 1zem h GLY 119 Ca 0.19 -0.38 -0.16 0.00 0.00 0.00 0.00 47.33 46.98 1zem h GLY 119 CO -0.06 0.36 -0.64 0.00 0.00 0.00 0.00 176.54 176.20 1zem h ALA 120 N 1.48 0.78 -0.37 3.60 0.00 -1.50 -2.69 119.26 120.58 1zem h ALA 120 Ca 0.15 -0.57 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 1zem h ALA 120 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1zem h ALA 120 CO -0.01 0.75 -0.27 0.35 0.00 0.00 0.00 179.25 180.08 1zem h PHE 121 N 0.19 0.97 -0.75 0.00 3.57 -0.23 0.29 116.94 120.99 1zem h PHE 121 Ca -0.01 -0.27 0.02 0.00 3.53 0.00 0.00 57.97 61.24 1zem h PHE 121 Cb 1.17 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 1zem h PHE 121 CO 0.03 1.04 0.49 0.45 -2.23 0.00 0.00 178.31 178.09 1zem h HIS 122 N 0.62 0.92 -0.29 0.41 3.86 -0.99 0.25 115.15 119.94 1zem h HIS 122 Ca 0.07 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.20 1zem h HIS 122 Cb 0.84 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 1zem h HIS 122 CO 0.06 0.56 -0.21 0.28 0.86 0.00 0.00 177.93 179.48 1zem h VAL 123 N 0.98 1.30 -0.62 2.45 2.07 -1.36 -1.60 116.25 119.48 1zem h VAL 123 Ca 0.29 -1.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 1zem h VAL 123 Cb -0.06 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1zem h VAL 123 CO -0.08 0.43 0.19 0.25 0.02 0.00 0.00 177.57 178.38 1zem h LEU 124 N 0.39 0.89 0.13 2.57 5.85 -0.57 -0.39 115.31 124.18 1zem h LEU 124 Ca 0.05 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1zem h LEU 124 Cb 0.76 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1zem h LEU 124 CO 0.06 0.86 -0.06 0.50 -0.34 0.00 0.00 178.44 179.46 1zem h LYS 125 N 0.88 -0.17 -0.79 1.25 3.64 -0.47 0.17 116.57 121.08 1zem h LYS 125 Ca 0.20 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1zem h LYS 125 Cb 0.29 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1zem h LYS 125 CO -0.01 0.05 0.48 0.00 -2.27 0.00 0.00 179.45 177.70 1zem h ALA 126 N 0.48 1.01 -0.09 5.00 0.00 -1.18 -2.28 119.26 122.20 1zem h ALA 126 Ca -0.02 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 1zem h ALA 126 Cb 0.29 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1zem h ALA 126 CO 0.03 0.48 -0.81 0.28 0.00 0.00 0.00 179.25 179.23 1zem h VAL 127 N 1.09 1.33 -0.43 0.00 2.07 -1.04 -3.10 116.25 116.17 1zem h VAL 127 Ca 0.28 -2.12 -0.02 0.00 0.82 0.00 0.00 66.70 65.66 1zem h VAL 127 Cb -0.04 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1zem h VAL 127 CO -0.05 0.65 0.18 0.77 0.02 0.00 0.00 177.57 179.14 1zem h SER 128 N 0.39 0.54 -0.66 0.57 4.64 -0.39 -1.37 113.55 117.27 1zem h SER 128 Ca -0.06 -0.05 0.04 0.00 -0.47 0.00 0.00 61.79 61.25 1zem h SER 128 Cb 1.43 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 63.33 1zem h SER 128 CO 0.15 0.48 0.39 0.03 -0.87 0.00 0.00 176.83 177.02 1zem h ARG 129 N 0.60 0.73 -0.42 4.77 3.08 -1.34 0.11 114.38 121.90 1zem h ARG 129 Ca 0.15 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 1zem h ARG 129 Cb 0.11 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1zem h ARG 129 CO -0.02 0.48 -0.15 0.37 -1.07 0.00 0.00 179.97 179.58 1zem h GLN 130 N 0.75 0.79 -0.01 0.04 5.75 -1.39 -2.72 115.11 118.32 1zem h GLN 130 Ca 0.28 -0.29 -0.11 0.00 -0.15 0.00 0.00 58.65 58.38 1zem h GLN 130 Cb 0.09 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 1zem h GLN 130 CO -0.14 0.90 -0.52 0.52 -2.65 0.00 0.00 178.83 176.93 1zem h MET 131 N 0.71 0.02 -0.76 1.69 2.86 -0.15 -2.28 114.93 117.02 1zem h MET 131 Ca 0.11 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1zem h MET 131 Cb 0.65 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 1zem h MET 131 CO 0.05 0.54 0.27 0.82 1.06 0.00 0.00 176.91 179.64 1zem h ILE 132 N 0.01 1.26 -0.73 -1.22 2.04 -0.63 0.36 117.51 118.60 1zem h ILE 132 Ca -0.00 -0.86 0.04 0.00 1.00 0.00 0.00 64.86 65.04 1zem h ILE 132 Cb 0.93 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 1zem h ILE 132 CO 0.07 0.35 0.45 0.74 0.00 0.00 0.00 178.15 179.75 1zem h THR 133 N 1.12 1.06 0.00 -0.27 2.02 -1.12 -1.51 112.91 114.21 1zem h THR 133 Ca 0.25 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1zem h THR 133 Cb 0.26 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1zem h THR 133 CO -0.01 0.16 -0.04 0.00 0.37 0.00 0.00 175.52 175.99 1zem n GLN 134 N -4.67 0.26 -3.98 6.66 6.02 -0.80 -4.92 117.38 115.95 1zem n GLN 134 Ca 0.09 0.20 -0.29 0.00 -0.01 0.00 0.00 57.00 56.99 1zem n GLN 134 Cb 0.12 -1.79 -0.00 0.00 1.02 0.00 0.00 30.24 29.58 1zem n GLN 134 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1zem n ASN 135 N -2.24 -2.33 -3.64 1.08 5.15 0.12 -4.96 115.26 108.42 1zem n ASN 135 Ca 0.05 -0.92 -0.05 0.00 -0.60 0.00 0.00 54.58 53.06 1zem n ASN 135 Cb 0.43 -3.34 -0.07 0.00 -0.53 0.00 0.00 39.78 36.28 1zem n ASN 135 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1zem s TYR 136 N -3.58 -0.83 -0.28 1.20 5.04 -0.65 -4.52 117.35 113.73 1zem s TYR 136 Ca 0.36 1.68 -0.27 0.00 -2.44 0.00 0.00 57.07 56.39 1zem s TYR 136 Cb -0.19 0.49 0.19 0.00 0.35 0.00 0.00 41.96 42.80 1zem s TYR 136 CO 0.87 -0.41 1.36 0.20 -1.34 0.00 0.00 175.55 176.23 1zem s GLY 137 N 1.42 0.17 -0.04 8.97 0.00 -0.85 -4.62 107.32 112.36 1zem s GLY 137 Ca -0.09 3.06 0.02 0.00 0.00 0.00 0.00 44.72 47.71 1zem s GLY 137 CO -0.17 1.45 -0.07 0.50 0.00 0.00 0.00 173.10 174.81 1zem s ARG 138 N -0.57 1.03 0.01 2.90 3.00 -0.58 -1.48 118.95 123.24 1zem s ARG 138 Ca 0.07 -0.22 0.06 0.00 0.00 0.00 0.00 55.73 55.65 1zem s ARG 138 Cb -0.03 -0.95 -0.02 0.00 0.00 0.00 0.00 34.95 33.95 1zem s ARG 138 CO -0.10 -0.00 -0.20 0.42 0.00 0.00 0.00 175.30 175.42 1zem s ILE 139 N 0.64 1.57 -0.11 1.52 1.01 0.62 -1.35 121.20 125.10 1zem s ILE 139 Ca -0.10 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1zem s ILE 139 Cb -0.13 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 41.03 1zem s ILE 139 CO 0.01 0.35 -0.10 -0.69 0.00 0.00 0.00 174.94 174.51 1zem s VAL 140 N -0.58 1.16 0.02 2.92 1.01 0.50 -1.12 120.40 124.31 1zem s VAL 140 Ca 0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1zem s VAL 140 Cb -0.08 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1zem s VAL 140 CO 0.00 0.39 0.22 0.20 0.00 0.00 0.00 175.10 175.91 1zem s ASN 141 N 1.49 6.40 -0.42 3.32 0.01 -0.01 -0.79 114.94 124.95 1zem s ASN 141 Ca 0.02 0.39 -0.18 0.00 -0.71 0.00 0.00 52.86 52.37 1zem s ASN 141 Cb -0.13 -2.02 0.02 0.00 0.41 0.00 0.00 41.25 39.53 1zem s ASN 141 CO -0.07 0.23 0.51 -0.89 -1.51 0.00 0.00 177.10 175.37 1zem s THR 142 N -1.38 5.00 0.00 1.60 2.01 -0.43 -1.72 115.64 120.72 1zem s THR 142 Ca 0.30 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1zem s THR 142 Cb -0.13 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.30 1zem s THR 142 CO 0.20 -0.45 0.00 0.00 -0.69 0.00 0.00 174.62 173.68 1zem n ALA 143 N 5.83 0.00 0.00 7.40 0.00 0.76 -4.93 120.51 129.57 1zem n ALA 143 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1zem n ALA 143 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1zem n ALA 143 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1zem n SER 144 N 0.00 0.00 0.28 0.00 2.88 -1.25 -4.54 113.62 111.00 1zem n SER 144 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1zem n SER 144 Cb 0.00 0.00 0.85 0.00 -0.75 0.00 0.00 64.21 64.31 1zem n SER 144 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1zem h MET 145 N 0.00 0.00 0.00 -1.46 2.86 -1.46 -0.27 114.93 114.60 1zem h MET 145 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1zem h MET 145 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1zem h MET 145 CO 0.00 0.05 -0.08 0.00 1.06 0.00 0.00 176.91 177.94 1zem h ALA 146 N 1.95 1.43 0.00 6.32 0.00 -1.84 -0.81 119.26 126.31 1zem h ALA 146 Ca -0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 1zem h ALA 146 Cb 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1zem h ALA 146 CO 0.01 0.10 -1.20 0.78 0.00 0.00 0.00 179.25 178.93 1zem h GLY 147 N 0.49 0.00 1.13 0.00 0.00 -1.23 -3.21 103.07 100.25 1zem h GLY 147 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1zem h GLY 147 CO 0.01 0.00 -0.36 -2.08 0.00 0.00 0.00 176.54 174.11 1zem h VAL 148 N 0.00 1.27 -2.91 4.60 2.07 -1.05 -3.38 116.25 116.84 1zem h VAL 148 Ca -0.11 -1.53 -0.24 0.00 0.82 0.00 0.00 66.70 65.64 1zem h VAL 148 Cb 1.79 1.33 -0.34 0.00 -1.52 0.00 0.00 31.29 32.56 1zem h VAL 148 CO 0.10 0.52 -0.56 -0.75 0.02 0.00 0.00 177.57 176.89 1zem s LYS 149 N -4.44 0.12 -0.27 1.57 2.20 -0.40 -5.12 119.74 113.39 1zem s LYS 149 Ca -0.11 0.68 -0.38 0.00 -0.36 0.00 0.00 55.97 55.80 1zem s LYS 149 Cb 0.11 -0.14 -0.14 0.00 -1.51 0.00 0.00 37.83 36.16 1zem s LYS 149 CO 0.88 -0.30 1.91 0.41 -0.36 0.00 0.00 175.35 177.89 1zem n GLY 150 N 5.34 0.84 3.91 5.54 0.00 -1.21 -4.33 105.19 115.29 1zem n GLY 150 Ca -0.06 0.93 -0.28 0.00 0.00 0.00 0.00 46.02 46.61 1zem n GLY 150 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1zem s PRO 151 N 4.51 2.88 0.51 1.61 0.02 -1.26 -5.03 135.00 138.24 1zem s PRO 151 Ca 1.01 0.12 -0.21 0.00 0.02 0.00 0.00 61.00 61.94 1zem s PRO 151 Cb -0.95 -2.20 -0.07 0.00 0.02 0.00 0.00 34.50 31.30 1zem s PRO 151 CO 0.58 -0.81 1.14 -1.25 -0.33 0.00 0.00 177.00 176.33 1zem s PRO 152 N -5.10 3.53 -1.94 5.54 0.04 -1.26 -3.41 135.00 132.40 1zem s PRO 152 Ca 0.55 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1zem s PRO 152 Cb -0.11 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1zem s PRO 152 CO 0.47 -0.71 0.00 0.09 0.04 0.00 0.00 177.00 176.89 1zem n ASN 153 N -0.98 -5.38 -2.56 6.66 3.02 -1.26 -4.87 115.26 109.89 1zem n ASN 153 Ca 0.10 0.45 -0.16 0.00 -0.03 0.00 0.00 54.58 54.94 1zem n ASN 153 Cb 0.50 -4.60 0.02 0.00 -0.61 0.00 0.00 39.78 35.09 1zem n ASN 153 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1zem n MET 154 N -2.02 2.22 -0.19 3.52 2.81 -1.22 -1.62 117.12 120.63 1zem n MET 154 Ca -0.18 -3.81 -0.03 0.00 -1.81 0.00 0.00 57.70 51.87 1zem n MET 154 Cb 0.65 -1.72 0.04 0.00 -0.71 0.00 0.00 33.22 31.47 1zem n MET 154 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1zem h ALA 155 N 2.75 0.24 -0.06 3.04 0.00 -1.82 -0.02 119.26 123.39 1zem h ALA 155 Ca 0.08 0.20 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 1zem h ALA 155 Cb 1.12 0.55 0.01 0.00 0.00 0.00 0.00 17.79 19.47 1zem h ALA 155 CO 0.62 -0.51 -0.70 0.00 0.00 0.00 0.00 179.25 178.65 1zem h ALA 156 N 1.38 0.17 0.13 0.00 0.00 -1.92 -2.53 119.26 116.48 1zem h ALA 156 Ca 0.26 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1zem h ALA 156 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1zem h ALA 156 CO -0.62 0.50 -0.06 -0.92 0.00 0.00 0.00 179.25 178.14 1zem h TYR 157 N 0.20 -0.16 -0.44 0.00 3.20 -1.77 -0.14 116.97 117.86 1zem h TYR 157 Ca -0.07 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.88 1zem h TYR 157 Cb 1.36 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 39.61 1zem h TYR 157 CO 0.12 -0.04 -0.00 0.78 -1.64 0.00 0.00 178.16 177.37 1zem h GLY 158 N -0.23 0.44 1.17 1.82 0.00 -1.07 -1.22 103.07 103.98 1zem h GLY 158 Ca -0.02 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1zem h GLY 158 CO 0.03 -0.12 0.31 0.00 0.00 0.00 0.00 176.54 176.76 1zem h THR 159 N 0.11 1.24 -0.53 4.70 1.03 -1.11 -1.39 112.91 116.95 1zem h THR 159 Ca 0.22 -0.73 -0.06 0.00 -0.01 0.00 0.00 66.41 65.82 1zem h THR 159 Cb 0.32 0.35 -0.02 0.00 -1.07 0.00 0.00 68.15 67.72 1zem h THR 159 CO -0.37 0.30 0.07 0.77 -0.01 0.00 0.00 175.52 176.29 1zem h SER 160 N 1.05 0.80 1.37 0.00 4.64 0.01 -0.51 113.55 120.91 1zem h SER 160 Ca 0.25 -0.17 -0.11 0.00 -0.47 0.00 0.00 61.79 61.29 1zem h SER 160 Cb 0.17 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1zem h SER 160 CO -0.03 0.82 -0.53 0.11 -0.87 0.00 0.00 176.83 176.33 1zem h LYS 161 N 0.80 0.00 -0.17 4.77 1.79 -0.91 -0.90 116.57 121.95 1zem h LYS 161 Ca 0.17 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.50 1zem h LYS 161 Cb 0.37 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1zem h LYS 161 CO 0.01 0.53 -0.47 0.78 -1.08 0.00 0.00 179.45 179.21 1zem h GLY 162 N 3.27 0.48 0.98 3.86 0.00 -0.77 -1.71 103.07 109.17 1zem h GLY 162 Ca -0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.73 1zem h GLY 162 CO 0.07 0.46 -0.12 0.00 0.00 0.00 0.00 176.54 176.95 1zem h ALA 163 N 1.14 0.53 -0.91 3.60 0.00 -0.89 -2.45 119.26 120.29 1zem h ALA 163 Ca 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1zem h ALA 163 Cb 0.96 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1zem h ALA 163 CO 0.08 0.42 0.55 0.82 0.00 0.00 0.00 179.25 181.13 1zem h ILE 164 N 0.57 1.25 -0.73 0.00 1.08 -0.80 0.10 117.51 118.98 1zem h ILE 164 Ca 0.09 -0.54 -0.03 0.00 -0.39 0.00 0.00 64.86 63.99 1zem h ILE 164 Cb 0.65 -0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.33 1zem h ILE 164 CO 0.04 0.26 0.34 0.40 -0.69 0.00 0.00 178.15 178.50 1zem h ILE 165 N 1.26 1.24 -0.21 -0.67 2.04 -1.12 0.14 117.51 120.17 1zem h ILE 165 Ca 0.33 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1zem h ILE 165 Cb -0.06 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1zem h ILE 165 CO -0.06 0.29 -0.03 0.00 0.00 0.00 0.00 178.15 178.35 1zem h ALA 166 N 1.17 0.29 -0.89 1.87 0.00 -1.04 -2.82 119.26 117.84 1zem h ALA 166 Ca 0.25 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1zem h ALA 166 Cb 0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1zem h ALA 166 CO -0.03 0.05 0.57 1.25 0.00 0.00 0.00 179.25 181.09 1zem h LEU 167 N 0.14 0.94 -0.99 0.00 5.85 -0.53 -0.14 115.31 120.57 1zem h LEU 167 Ca 0.06 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1zem h LEU 167 Cb 0.46 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 1zem h LEU 167 CO 0.02 0.64 0.64 0.74 -0.34 0.00 0.00 178.44 180.14 1zem h THR 168 N 1.10 1.07 -0.23 1.05 2.02 -0.68 0.12 112.91 117.36 1zem h THR 168 Ca 0.36 -0.39 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 1zem h THR 168 Cb 0.03 -0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.26 1zem h THR 168 CO -0.13 0.21 -0.20 -0.33 0.37 0.00 0.00 175.52 175.44 1zem h GLU 169 N 1.15 0.54 -0.12 6.66 5.08 -0.80 -1.06 114.58 126.02 1zem h GLU 169 Ca 0.43 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1zem h GLU 169 Cb 0.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1zem h GLU 169 CO -0.18 0.86 0.06 1.15 -1.00 0.00 0.00 179.01 179.89 1zem h THR 170 N 0.23 1.12 -0.61 1.13 2.02 -0.94 -2.31 112.91 113.55 1zem h THR 170 Ca 0.04 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1zem h THR 170 Cb 0.75 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 1zem h THR 170 CO 0.05 0.11 0.32 0.00 0.37 0.00 0.00 175.52 176.37 1zem h ALA 171 N 0.93 1.43 -0.46 6.16 0.00 -0.73 0.15 119.26 126.73 1zem h ALA 171 Ca 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1zem h ALA 171 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1zem h ALA 171 CO -0.01 0.47 0.24 0.00 0.00 0.00 0.00 179.25 179.96 1zem h ALA 172 N 1.51 0.58 0.15 0.00 0.00 -0.96 0.64 119.26 121.18 1zem h ALA 172 Ca 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1zem h ALA 172 Cb 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1zem h ALA 172 CO -0.03 0.12 -0.07 -0.07 0.00 0.00 0.00 179.25 179.19 1zem h LEU 173 N 0.60 -0.17 -1.10 0.00 3.38 -0.78 -2.21 115.31 115.02 1zem h LEU 173 Ca 0.16 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1zem h LEU 173 Cb 0.07 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1zem h LEU 173 CO -0.02 0.01 0.60 0.44 0.09 0.00 0.00 178.44 179.56 1zem h ASP 174 N -0.35 1.05 0.12 -0.43 3.45 -0.55 -3.12 116.42 116.58 1zem h ASP 174 Ca -0.02 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.41 1zem h ASP 174 Cb 0.27 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 1zem h ASP 174 CO 0.03 0.76 -0.31 0.18 -1.57 0.00 0.00 179.24 178.34 1zem n LEU 175 N -4.39 1.50 -0.35 1.55 4.77 0.20 -4.44 117.00 115.85 1zem n LEU 175 Ca 0.10 -0.49 0.05 0.00 -0.03 0.00 0.00 56.01 55.65 1zem n LEU 175 Cb 0.02 -0.06 0.21 0.00 -2.33 0.00 0.00 43.42 41.26 1zem n LEU 175 CO 0.37 0.28 1.22 0.00 -1.33 0.00 0.00 177.39 177.93 1zem h ALA 176 N 3.85 1.42 0.00 -1.18 0.00 -1.33 -1.73 119.26 120.28 1zem h ALA 176 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1zem h ALA 176 Cb 0.62 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1zem h ALA 176 CO 0.00 0.26 0.00 -1.35 0.00 0.00 0.00 179.25 178.16 1zem h PRO 177 N 1.00 0.00 -0.52 0.00 0.11 -1.80 -2.91 132.00 127.87 1zem h PRO 177 Ca 0.46 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.42 1zem h PRO 177 Cb 0.38 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.40 1zem h PRO 177 CO -0.24 0.00 0.13 0.66 -0.21 0.00 0.00 178.00 178.34 1zem n TYR 178 N -2.50 1.73 -3.55 0.65 4.02 -0.65 -4.93 117.16 111.93 1zem n TYR 178 Ca -0.01 -1.22 -0.20 0.00 -0.01 0.00 0.00 57.90 56.46 1zem n TYR 178 Cb 0.07 -0.55 0.07 0.00 -0.02 0.00 0.00 39.34 38.92 1zem n TYR 178 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1zem n ASN 179 N -0.51 -2.64 -4.14 7.72 5.15 -1.10 -3.12 115.26 116.61 1zem n ASN 179 Ca 0.34 -0.67 -0.26 0.00 -0.60 0.00 0.00 54.58 53.40 1zem n ASN 179 Cb 1.18 -4.78 -0.16 0.00 -0.53 0.00 0.00 39.78 35.49 1zem n ASN 179 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1zem s ILE 180 N -3.43 1.41 0.08 -1.44 1.01 -1.19 -2.01 121.20 115.63 1zem s ILE 180 Ca 0.13 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 60.14 1zem s ILE 180 Cb -0.06 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 1zem s ILE 180 CO 0.76 0.41 -0.17 -0.13 0.00 0.00 0.00 174.94 175.80 1zem s ARG 181 N -0.07 1.96 -0.09 2.79 0.52 -0.55 -3.90 118.95 119.62 1zem s ARG 181 Ca -0.01 -1.07 -0.02 0.00 -0.52 0.00 0.00 55.73 54.11 1zem s ARG 181 Cb -0.10 -2.17 0.04 0.00 0.52 0.00 0.00 34.95 33.23 1zem s ARG 181 CO 0.01 0.51 0.04 0.08 0.02 0.00 0.00 175.30 175.97 1zem s VAL 182 N -1.04 0.11 0.36 3.52 1.01 -1.26 -0.27 120.40 122.82 1zem s VAL 182 Ca 0.17 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.32 1zem s VAL 182 Cb -0.11 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 1zem s VAL 182 CO 0.08 0.09 0.14 0.20 0.00 0.00 0.00 175.10 175.61 1zem s ASN 183 N 2.07 2.21 0.09 3.32 0.01 -0.27 -0.96 114.94 121.40 1zem s ASN 183 Ca 0.04 -1.60 0.02 0.00 -0.71 0.00 0.00 52.86 50.61 1zem s ASN 183 Cb -0.13 0.40 -0.04 0.00 0.41 0.00 0.00 41.25 41.89 1zem s ASN 183 CO -0.05 -0.89 -0.08 0.00 -1.51 0.00 0.00 177.10 174.58 1zem s ALA 184 N -3.38 0.94 0.11 0.60 0.00 0.45 -0.83 121.76 119.65 1zem s ALA 184 Ca 0.31 -1.20 0.09 0.00 0.00 0.00 0.00 51.96 51.16 1zem s ALA 184 Cb 0.04 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1zem s ALA 184 CO 0.17 -0.15 -0.20 0.96 0.00 0.00 0.00 175.76 176.54 1zem s ILE 185 N -2.92 2.69 -0.51 0.00 -4.36 -0.70 -0.86 121.20 114.55 1zem s ILE 185 Ca 0.06 -1.54 0.04 0.00 -0.26 0.00 0.00 60.65 58.95 1zem s ILE 185 Cb 0.00 -2.22 0.16 0.00 1.25 0.00 0.00 42.46 41.66 1zem s ILE 185 CO -0.03 0.12 0.36 -0.44 0.24 0.00 0.00 174.94 175.19 1zem s SER 186 N -2.07 3.17 0.56 4.36 0.01 0.84 -0.17 113.70 120.41 1zem s SER 186 Ca 0.17 -3.18 -0.20 0.00 1.31 0.00 0.00 55.95 54.04 1zem s SER 186 Cb -0.10 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.10 1zem s SER 186 CO 0.09 -0.17 1.27 -2.84 0.41 0.00 0.00 173.24 171.99 1zem s PRO 187 N -0.33 3.10 0.00 12.44 0.02 -1.26 -1.56 135.00 147.41 1zem s PRO 187 Ca 0.26 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.28 1zem s PRO 187 Cb -0.07 -2.12 0.00 0.00 0.02 0.00 0.00 34.50 32.33 1zem s PRO 187 CO -0.13 -1.15 0.00 0.41 -0.33 0.00 0.00 177.00 175.80 1zem n GLY 188 N 0.64 0.49 3.67 0.52 0.00 -0.04 -1.76 105.19 108.70 1zem n GLY 188 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1zem n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1zem s TYR 189 N 3.34 3.39 -0.03 1.61 1.51 -1.26 -4.87 117.35 121.04 1zem s TYR 189 Ca 0.00 1.40 0.06 0.00 -1.01 0.00 0.00 57.07 57.52 1zem s TYR 189 Cb 0.00 -3.16 -0.01 0.00 -0.11 0.00 0.00 41.96 38.68 1zem s TYR 189 CO 0.00 -0.35 -0.22 -1.64 -1.11 0.00 0.00 175.55 172.23 1zem s MET 190 N 2.62 1.99 0.22 -0.62 -1.94 -1.26 -0.59 119.30 119.72 1zem s MET 190 Ca 0.42 -0.78 -0.21 0.00 -1.71 0.00 0.00 55.69 53.41 1zem s MET 190 Cb -0.16 -1.80 0.07 0.00 2.01 0.00 0.00 34.83 34.94 1zem s MET 190 CO 0.10 0.40 0.97 0.20 -0.01 0.00 0.00 175.02 176.68 1zem s GLY 191 N -0.30 0.08 0.00 -0.03 0.00 0.28 -4.46 107.32 102.89 1zem s GLY 191 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.43 1zem s GLY 191 CO 0.01 1.30 0.00 -1.55 0.00 0.00 0.00 173.10 172.86 1zem n PRO 192 N -0.61 3.04 0.00 2.90 -0.04 -1.26 -4.28 135.00 134.75 1zem n PRO 192 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1zem n PRO 192 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 1zem n PRO 192 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1zem n GLY 193 N 5.00 1.14 0.28 0.55 0.00 -1.26 -4.70 105.19 106.19 1zem n GLY 193 Ca 0.00 -2.21 0.08 0.00 0.00 0.00 0.00 46.02 43.89 1zem n GLY 193 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1zem n PHE 194 N -0.47 0.13 0.09 1.61 7.35 -1.26 -0.73 117.46 124.18 1zem n PHE 194 Ca 0.00 -0.07 0.02 0.00 -0.76 0.00 0.00 57.45 56.65 1zem n PHE 194 Cb 0.00 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 1zem n PHE 194 CO 0.00 0.00 0.00 1.98 -0.76 0.00 0.00 176.76 177.98 1zem h MET 195 N 1.03 0.00 0.00 -4.13 4.05 -1.94 -2.11 114.93 111.84 1zem h MET 195 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1zem h MET 195 Cb 0.23 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1zem h MET 195 CO 0.00 0.34 -0.09 2.35 0.23 0.00 0.00 176.91 179.74 1zem h TRP 196 N 0.00 0.00 -0.66 1.39 2.91 -1.71 -2.88 115.95 114.99 1zem h TRP 196 Ca -0.08 0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.02 1zem h TRP 196 Cb 1.44 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 30.04 1zem h TRP 196 CO 0.00 0.85 0.44 0.93 -1.03 0.00 0.00 178.44 179.63 1zem h GLU 197 N -1.00 0.56 -0.22 2.65 4.39 -1.04 -0.08 114.58 119.85 1zem h GLU 197 Ca -0.02 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 1zem h GLU 197 Cb 0.84 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1zem h GLU 197 CO -0.01 0.37 -0.05 -0.09 -1.16 0.00 0.00 179.01 178.06 1zem h ARG 198 N 0.58 0.42 -0.12 2.33 2.43 -1.48 0.59 114.38 119.14 1zem h ARG 198 Ca 0.30 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1zem h ARG 198 Cb 0.41 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1zem h ARG 198 CO -0.10 0.67 0.04 0.37 -1.51 0.00 0.00 179.97 179.44 1zem h GLN 199 N 0.15 0.19 -0.16 0.20 4.15 -1.09 -0.71 115.11 117.84 1zem h GLN 199 Ca 0.06 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.47 1zem h GLN 199 Cb 0.51 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 1zem h GLN 199 CO 0.02 0.31 -0.06 0.28 -1.93 0.00 0.00 178.83 177.46 1zem h VAL 200 N 0.02 0.79 0.08 2.39 2.07 -1.00 -1.72 116.25 118.88 1zem h VAL 200 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1zem h VAL 200 Cb 0.20 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1zem h VAL 200 CO -0.00 0.00 -0.04 -0.33 0.02 0.00 0.00 177.57 177.22 1zem h GLU 201 N -0.03 -0.10 0.00 1.57 4.39 -0.73 -2.30 114.58 117.38 1zem h GLU 201 Ca 0.08 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.67 1zem h GLU 201 Cb 0.16 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1zem h GLU 201 CO -0.18 -0.03 -0.55 -0.07 -1.16 0.00 0.00 179.01 177.01 1zem h LEU 202 N -0.15 0.00 -0.27 1.33 3.38 -1.14 -1.79 115.31 116.68 1zem h LEU 202 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1zem h LEU 202 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1zem h LEU 202 CO 0.02 0.55 -0.11 1.56 0.09 0.00 0.00 178.44 180.55 1zem h GLN 203 N 0.00 0.54 -0.22 1.13 1.08 -1.26 -2.56 115.11 113.83 1zem h GLN 203 Ca -0.01 -0.23 0.05 0.00 -1.45 0.00 0.00 58.65 57.01 1zem h GLN 203 Cb 1.06 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 28.43 1zem h GLN 203 CO 0.07 0.78 -0.08 0.00 -0.95 0.00 0.00 178.83 178.65 1zem h ALA 204 N 0.75 0.11 -0.59 3.87 0.00 -1.23 -2.09 119.26 120.08 1zem h ALA 204 Ca 0.06 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.17 1zem h ALA 204 Cb 0.61 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1zem h ALA 204 CO 0.04 -0.50 0.40 0.87 0.00 0.00 0.00 179.25 180.05 1zem h LYS 205 N -0.04 0.31 -0.69 0.00 1.57 -1.24 -2.30 116.57 114.18 1zem h LYS 205 Ca 0.11 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1zem h LYS 205 Cb 0.21 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 1zem h LYS 205 CO -0.25 0.21 0.42 0.28 -0.57 0.00 0.00 179.45 179.54 1zem h VAL 206 N 0.32 1.05 -0.10 0.50 2.07 -0.94 -3.46 116.25 115.69 1zem h VAL 206 Ca 0.28 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1zem h VAL 206 Cb 0.65 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1zem h VAL 206 CO -0.07 0.14 -0.03 0.61 0.02 0.00 0.00 177.57 178.25 1zem n GLY 207 N -1.29 0.48 3.81 2.17 0.00 -0.87 -5.03 105.19 104.46 1zem n GLY 207 Ca 0.08 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1zem n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zem s SER 208 N -2.98 3.43 0.00 1.61 1.04 -1.26 -4.94 113.70 110.60 1zem s SER 208 Ca 0.00 0.83 0.18 0.00 0.48 0.00 0.00 55.95 57.44 1zem s SER 208 Cb 0.00 -1.31 0.77 0.00 0.10 0.00 0.00 66.02 65.58 1zem s SER 208 CO 0.00 -2.58 1.57 0.00 0.98 0.00 0.00 173.24 173.20 1zem n GLN 209 N -3.77 0.02 0.12 4.02 10.64 -1.26 -3.21 117.38 123.94 1zem n GLN 209 Ca 0.08 0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.44 1zem n GLN 209 Cb 0.60 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 28.46 1zem n GLN 209 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.06 177.11 1zem h TYR 210 N 0.00 0.00 -4.05 2.61 0.05 -1.99 -3.47 116.97 110.12 1zem h TYR 210 Ca 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 1zem h TYR 210 Cb 0.29 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 37.87 1zem h TYR 210 CO 0.00 0.62 -0.62 -0.06 -1.05 0.00 0.00 178.16 177.04 1zem s PHE 211 N -2.90 0.36 0.81 4.88 0.40 -1.20 -5.08 117.98 115.25 1zem s PHE 211 Ca 0.03 -0.79 -0.11 0.00 -0.60 0.00 0.00 56.93 55.46 1zem s PHE 211 Cb 0.08 -0.27 0.08 0.00 0.51 0.00 0.00 43.02 43.43 1zem s PHE 211 CO 0.77 -0.35 1.13 0.45 0.70 0.00 0.00 175.22 177.91 1zem s SER 212 N -2.43 3.92 0.00 1.36 0.15 -1.26 -4.52 113.70 110.93 1zem s SER 212 Ca -0.01 2.05 0.27 0.00 0.70 0.00 0.00 55.95 58.96 1zem s SER 212 Cb 0.02 -2.55 0.86 0.00 -1.71 0.00 0.00 66.02 62.64 1zem s SER 212 CO -0.07 -2.43 1.66 0.35 1.20 0.00 0.00 173.24 173.95 1zem n THR 213 N -3.58 0.01 -3.25 6.45 -2.24 -1.26 -4.34 114.28 106.06 1zem n THR 213 Ca 0.11 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.47 1zem n THR 213 Cb 0.52 -0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.55 1zem n THR 213 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1zem s ASP 214 N -3.03 6.29 0.57 3.42 3.68 -1.26 -4.61 116.67 121.73 1zem s ASP 214 Ca 0.12 -0.14 0.27 0.00 2.13 0.00 0.00 52.55 54.93 1zem s ASP 214 Cb 0.18 -2.26 1.55 0.00 -1.45 0.00 0.00 42.92 40.94 1zem s ASP 214 CO 0.62 -0.50 2.07 1.55 0.13 0.00 0.00 175.17 179.03 1zem h PRO 215 N 8.52 0.00 -0.48 4.34 0.13 -1.87 0.30 132.00 142.95 1zem h PRO 215 Ca -0.28 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.78 1zem h PRO 215 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1zem h PRO 215 CO 0.78 0.00 0.02 0.87 -0.23 0.00 0.00 178.00 179.44 1zem h LYS 216 N 0.00 0.84 -0.21 0.86 1.57 -1.94 -1.94 116.57 115.75 1zem h LYS 216 Ca 0.12 -0.26 -0.17 0.00 -1.87 0.00 0.00 60.65 58.48 1zem h LYS 216 Cb 0.61 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1zem h LYS 216 CO -0.00 0.87 -0.57 0.28 -0.57 0.00 0.00 179.45 179.46 1zem h VAL 217 N 0.70 1.31 -0.56 0.50 2.07 -1.38 -3.09 116.25 115.79 1zem h VAL 217 Ca 0.14 -1.80 0.07 0.00 0.82 0.00 0.00 66.70 65.93 1zem h VAL 217 Cb 0.48 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 1zem h VAL 217 CO 0.02 0.57 0.23 0.58 0.02 0.00 0.00 177.57 178.99 1zem h VAL 218 N 0.49 0.83 -0.88 2.57 2.07 -1.09 0.11 116.25 120.37 1zem h VAL 218 Ca 0.01 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.45 1zem h VAL 218 Cb 1.13 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 1zem h VAL 218 CO 0.11 0.08 0.54 0.00 0.02 0.00 0.00 177.57 178.32 1zem h ALA 219 N 1.36 1.22 -0.11 1.67 0.00 -1.31 0.04 119.26 122.13 1zem h ALA 219 Ca 0.27 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1zem h ALA 219 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1zem h ALA 219 CO -0.25 0.26 -0.53 1.96 0.00 0.00 0.00 179.25 180.68 1zem h GLN 220 N 0.96 0.31 -0.32 0.00 4.20 -1.12 -1.70 115.11 117.45 1zem h GLN 220 Ca 0.39 -0.19 -0.15 0.00 0.06 0.00 0.00 58.65 58.76 1zem h GLN 220 Cb 0.22 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1zem h GLN 220 CO -0.19 0.77 -0.40 1.96 -0.67 0.00 0.00 178.83 180.30 1zem h GLN 221 N 0.24 0.76 -0.07 1.46 4.20 0.04 0.26 115.11 122.01 1zem h GLN 221 Ca 0.01 -0.40 -0.02 0.00 0.06 0.00 0.00 58.65 58.29 1zem h GLN 221 Cb 1.02 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.81 1zem h GLN 221 CO 0.09 1.03 -0.04 0.52 -0.67 0.00 0.00 178.83 179.75 1zem h MET 222 N 0.63 0.15 -0.53 1.46 2.86 -0.92 -2.50 114.93 116.07 1zem h MET 222 Ca 0.05 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 1zem h MET 222 Cb 0.95 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 1zem h MET 222 CO 0.09 0.54 0.07 0.82 1.06 0.00 0.00 176.91 179.49 1zem h ILE 223 N -0.25 1.24 0.00 -1.22 2.04 -1.25 -2.28 117.51 115.79 1zem h ILE 223 Ca 0.01 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1zem h ILE 223 Cb 0.50 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1zem h ILE 223 CO 0.01 0.34 0.00 1.23 0.00 0.00 0.00 178.15 179.73 1zem h GLY 224 N 0.99 0.00 1.51 5.37 0.00 -0.37 -2.22 103.07 108.35 1zem h GLY 224 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1zem h GLY 224 CO 0.01 0.00 -0.17 -1.14 0.00 0.00 0.00 176.54 175.24 1zem n SER 225 N -2.95 0.22 -4.68 0.19 3.41 -0.86 -4.82 113.62 104.14 1zem n SER 225 Ca -0.01 0.08 -0.38 0.00 -0.26 0.00 0.00 58.87 58.30 1zem n SER 225 Cb 0.17 -0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 1zem n SER 225 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1zem s VAL 226 N -2.90 5.18 0.31 -3.33 1.01 -0.83 -4.97 120.40 114.87 1zem s VAL 226 Ca 0.16 0.82 0.05 0.00 0.00 0.00 0.00 61.98 63.00 1zem s VAL 226 Cb 0.19 -3.77 0.30 0.00 0.00 0.00 0.00 36.38 33.10 1zem s VAL 226 CO 0.57 0.26 1.83 -0.65 0.00 0.00 0.00 175.10 177.11 1zem h PRO 227 N 7.19 0.83 0.00 2.72 0.11 -1.78 0.49 132.00 141.56 1zem h PRO 227 Ca -0.37 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1zem h PRO 227 Cb 1.16 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1zem h PRO 227 CO 0.74 0.55 0.00 -1.33 -0.21 0.00 0.00 178.00 177.75 1zem n MET 228 N -4.64 0.02 -3.74 1.05 2.81 -0.90 -4.91 117.12 106.82 1zem n MET 228 Ca 0.20 0.17 -0.25 0.00 -1.81 0.00 0.00 57.70 56.00 1zem n MET 228 Cb 0.44 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.49 1zem n MET 228 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1zem n ARG 229 N -1.49 -5.86 -3.46 0.03 5.12 0.17 -4.97 116.66 106.20 1zem n ARG 229 Ca 0.05 0.67 -0.11 0.00 -1.93 0.00 0.00 57.85 56.53 1zem n ARG 229 Cb 0.22 -5.49 -0.02 0.00 -1.16 0.00 0.00 32.46 26.01 1zem n ARG 229 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1zem s ARG 230 N -6.23 1.18 0.52 5.56 1.70 -1.26 -4.94 118.95 115.48 1zem s ARG 230 Ca 0.36 -0.45 -0.04 0.00 -0.47 0.00 0.00 55.73 55.14 1zem s ARG 230 Cb -0.18 0.53 -0.01 0.00 -0.57 0.00 0.00 34.95 34.73 1zem s ARG 230 CO 0.80 -0.52 0.79 1.52 -1.08 0.00 0.00 175.30 176.81 1zem s TYR 231 N -3.59 3.32 0.44 5.89 -0.85 -1.26 -4.89 117.35 116.41 1zem s TYR 231 Ca 0.03 0.54 -0.16 0.00 -0.52 0.00 0.00 57.07 56.96 1zem s TYR 231 Cb -0.01 -2.49 -0.08 0.00 0.38 0.00 0.00 41.96 39.76 1zem s TYR 231 CO -0.11 -0.53 0.89 0.20 -1.52 0.00 0.00 175.55 174.48 1zem s GLY 232 N -4.23 2.16 0.15 5.49 0.00 0.24 -4.77 107.32 106.37 1zem s GLY 232 Ca 0.50 0.13 -0.20 0.00 0.00 0.00 0.00 44.72 45.15 1zem s GLY 232 CO 0.43 0.37 0.65 -0.35 0.00 0.00 0.00 173.10 174.20 1zem s ASP 233 N -2.75 7.09 0.60 1.64 -1.08 -1.26 -0.55 116.67 120.35 1zem s ASP 233 Ca 0.57 1.36 0.32 0.00 -0.52 0.00 0.00 52.55 54.28 1zem s ASP 233 Cb -0.10 -2.39 1.91 0.00 -1.46 0.00 0.00 42.92 40.88 1zem s ASP 233 CO 0.25 0.16 2.27 0.40 0.52 0.00 0.00 175.17 178.77 1zem h ILE 234 N 3.12 0.45 0.00 4.11 5.03 -1.94 0.23 117.51 128.50 1zem h ILE 234 Ca -0.48 -0.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.24 1zem h ILE 234 Cb 1.20 1.01 0.00 0.00 -3.03 0.00 0.00 36.82 36.00 1zem h ILE 234 CO 0.65 0.00 0.00 0.59 -0.68 0.00 0.00 178.15 178.71 1zem n ASN 235 N -3.73 0.00 -1.03 1.72 5.03 -1.26 -1.56 115.26 114.43 1zem n ASN 235 Ca -0.03 -0.60 0.10 0.00 0.87 0.00 0.00 54.58 54.93 1zem n ASN 235 Cb 0.08 0.00 0.26 0.00 -1.02 0.00 0.00 39.78 39.11 1zem n ASN 235 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1zem n GLU 236 N -0.94 2.31 -0.11 3.52 1.02 0.80 -4.26 120.64 122.97 1zem n GLU 236 Ca 0.11 -2.01 -0.14 0.00 -0.02 0.00 0.00 57.16 55.10 1zem n GLU 236 Cb 0.05 -1.46 -0.12 0.00 -0.02 0.00 0.00 31.44 29.89 1zem n GLU 236 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1zem n ILE 237 N 1.16 1.31 -0.19 -3.67 5.41 -0.60 -4.59 119.36 118.19 1zem n ILE 237 Ca 0.19 -0.59 0.05 0.00 1.00 0.00 0.00 62.75 63.40 1zem n ILE 237 Cb 0.50 -1.08 0.33 0.00 -0.71 0.00 0.00 39.64 38.67 1zem n ILE 237 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1zem h PRO 238 N 0.00 0.79 -0.12 0.38 0.11 -1.74 -1.25 132.00 130.16 1zem h PRO 238 Ca -0.51 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.53 1zem h PRO 238 Cb 1.90 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.82 1zem h PRO 238 CO -0.05 0.52 -0.02 0.78 -0.21 0.00 0.00 178.00 179.03 1zem h GLY 239 N 0.81 0.18 1.34 -0.55 0.00 -1.82 0.63 103.07 103.66 1zem h GLY 239 Ca 0.30 -0.09 -0.26 0.00 0.00 0.00 0.00 47.33 47.28 1zem h GLY 239 CO -0.10 0.08 -1.07 -2.08 0.00 0.00 0.00 176.54 173.38 1zem h VAL 240 N 0.17 1.33 -0.36 4.60 2.07 -1.49 -2.07 116.25 120.49 1zem h VAL 240 Ca 0.04 -2.39 -0.06 0.00 0.82 0.00 0.00 66.70 65.11 1zem h VAL 240 Cb 0.15 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1zem h VAL 240 CO 0.00 0.73 -0.01 0.58 0.02 0.00 0.00 177.57 178.89 1zem h VAL 241 N 0.31 1.26 -0.70 2.57 2.07 -0.99 -1.92 116.25 118.85 1zem h VAL 241 Ca -0.13 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1zem h VAL 241 Cb 1.72 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 1zem h VAL 241 CO 0.20 0.34 0.40 0.00 0.02 0.00 0.00 177.57 178.53 1zem h ALA 242 N 0.86 1.38 -0.06 1.67 0.00 -0.90 -0.81 119.26 121.39 1zem h ALA 242 Ca 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zem h ALA 242 Cb 0.49 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1zem h ALA 242 CO 0.02 0.52 0.03 0.35 0.00 0.00 0.00 179.25 180.18 1zem h PHE 243 N 0.97 0.09 0.00 0.00 3.57 -1.06 0.41 116.94 120.93 1zem h PHE 243 Ca 0.25 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1zem h PHE 243 Cb 0.00 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 1zem h PHE 243 CO 0.01 0.13 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.10 1zem h LEU 244 N 0.01 0.00 0.06 0.59 3.38 -0.72 -2.93 115.31 115.70 1zem h LEU 244 Ca 0.02 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.69 1zem h LEU 244 Cb 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1zem h LEU 244 CO -0.00 0.04 -1.67 -0.07 0.09 0.00 0.00 178.44 176.83 1zem h LEU 245 N 0.00 0.20-10.62 1.67 3.38 -0.84 -3.45 115.31 105.65 1zem h LEU 245 Ca -0.00 -0.37 -0.44 0.00 0.09 0.00 0.00 57.88 57.16 1zem h LEU 245 Cb 0.39 -0.07 0.16 0.00 0.09 0.00 0.00 40.66 41.23 1zem h LEU 245 CO 0.01 1.32 0.32 -0.83 0.09 0.00 0.00 178.44 179.35 1zem s GLY 246 N -5.15 1.66 0.15 0.83 0.00 0.11 -4.87 107.32 100.05 1zem s GLY 246 Ca -0.09 -0.92 0.21 0.00 0.00 0.00 0.00 44.72 43.92 1zem s GLY 246 CO 0.82 -0.20 1.64 1.22 0.00 0.00 0.00 173.10 176.58 1zem n ASP 247 N -3.96 0.41 0.17 1.64 8.00 -1.26 -2.55 116.55 119.01 1zem n ASP 247 Ca 0.12 0.59 0.13 0.00 0.71 0.00 0.00 54.79 56.34 1zem n ASP 247 Cb 0.60 -0.68 0.51 0.00 -0.02 0.00 0.00 41.12 41.52 1zem n ASP 247 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1zem h ASP 248 N 0.00 0.00 -0.56 -2.24 3.32 -1.94 -2.60 116.42 112.40 1zem h ASP 248 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1zem h ASP 248 Cb 0.36 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.78 1zem h ASP 248 CO 0.00 0.00 0.17 -1.54 -1.72 0.00 0.00 179.24 176.15 1zem n SER 249 N -2.50 3.54 0.13 6.45 3.41 -1.05 -4.76 113.62 118.84 1zem n SER 249 Ca 0.02 -3.48 0.18 0.00 -0.26 0.00 0.00 58.87 55.34 1zem n SER 249 Cb 0.30 -0.69 0.77 0.00 -0.26 0.00 0.00 64.21 64.33 1zem n SER 249 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1zem h SER 250 N 1.53 0.00 -0.45 4.04 4.64 -1.61 -0.45 113.55 121.26 1zem h SER 250 Ca 0.28 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.49 1zem h SER 250 Cb 2.03 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 64.06 1zem h SER 250 CO 0.59 0.00 0.07 0.33 -0.87 0.00 0.00 176.83 176.95 1zem n PHE 251 N -3.93 1.51 -4.03 4.77 7.35 -1.26 -4.92 117.46 116.95 1zem n PHE 251 Ca 0.05 -1.13 -0.34 0.00 -0.76 0.00 0.00 57.45 55.27 1zem n PHE 251 Cb 0.46 -0.48 -0.15 0.00 0.35 0.00 0.00 39.48 39.66 1zem n PHE 251 CO 0.00 0.00 0.00 -1.64 -0.76 0.00 0.00 176.76 174.36 1zem s MET 252 N -2.97 2.93 0.01 -4.13 -1.94 -0.18 -5.09 119.30 107.93 1zem s MET 252 Ca 0.47 -0.90 -0.12 0.00 -1.71 0.00 0.00 55.69 53.44 1zem s MET 252 Cb 0.39 -2.80 0.01 0.00 2.01 0.00 0.00 34.83 34.45 1zem s MET 252 CO 0.09 -0.30 0.25 -0.08 -0.01 0.00 0.00 175.02 174.96 1zem s THR 253 N 1.31 0.08 -0.13 2.05 -1.32 -1.26 -4.77 115.64 111.60 1zem s THR 253 Ca 0.02 -0.66 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 1zem s THR 253 Cb -0.15 -0.72 0.00 0.00 -1.51 0.00 0.00 72.50 70.12 1zem s THR 253 CO -0.08 -0.36 0.00 0.61 -2.21 0.00 0.00 174.62 172.58 1zem n GLY 254 N 1.02 0.48 3.86 6.08 0.00 -0.13 -4.97 105.19 111.53 1zem n GLY 254 Ca -0.21 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 1zem n GLY 254 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1zem s VAL 255 N -1.88 4.70 -0.12 1.61 -7.23 -1.26 -4.70 120.40 111.52 1zem s VAL 255 Ca 0.00 -1.22 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 1zem s VAL 255 Cb 0.00 -3.52 0.01 0.00 0.56 0.00 0.00 36.38 33.43 1zem s VAL 255 CO 0.00 -0.30 -0.16 0.21 -0.31 0.00 0.00 175.10 174.53 1zem s ASN 256 N -3.75 2.60 -0.30 4.85 3.04 -1.26 -0.41 114.94 119.71 1zem s ASN 256 Ca 0.33 -0.47 -0.08 0.00 0.04 0.00 0.00 52.86 52.68 1zem s ASN 256 Cb -0.09 -1.17 -0.00 0.00 -1.54 0.00 0.00 41.25 38.45 1zem s ASN 256 CO 0.26 0.02 0.11 -0.76 -3.04 0.00 0.00 177.10 173.69 1zem s LEU 257 N 1.01 3.91 0.12 3.21 1.02 -0.04 -4.93 118.68 122.99 1zem s LEU 257 Ca -0.05 -0.56 -0.31 0.00 0.02 0.00 0.00 54.13 53.23 1zem s LEU 257 Cb -0.15 -1.94 -0.07 0.00 0.02 0.00 0.00 46.19 44.05 1zem s LEU 257 CO -0.03 -0.17 1.32 -2.84 0.02 0.00 0.00 176.35 174.65 1zem s PRO 258 N 1.57 4.37 -0.66 1.29 0.02 -1.26 -0.11 135.00 140.21 1zem s PRO 258 Ca 0.04 1.98 0.05 0.00 0.02 0.00 0.00 61.00 63.09 1zem s PRO 258 Cb -0.17 -3.27 0.17 0.00 0.02 0.00 0.00 34.50 31.26 1zem s PRO 258 CO 0.04 -0.34 0.49 -0.89 -0.33 0.00 0.00 177.00 175.97 1zem n ILE 259 N 3.69 1.25 -0.94 2.83 5.41 -0.60 -4.86 119.36 126.13 1zem n ILE 259 Ca 0.10 -4.67 0.00 0.00 1.00 0.00 0.00 62.75 59.17 1zem n ILE 259 Cb 0.44 -2.10 0.00 0.00 -0.71 0.00 0.00 39.64 37.26 1zem n ILE 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1zem n ALA 260 N 2.01 0.41 -1.12 -1.39 0.00 -1.26 -0.86 120.51 118.31 1zem n ALA 260 Ca 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 53.44 53.44 1zem n ALA 260 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 1zem n ALA 260 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zem n GLY 261 N -0.01 0.70 0.00 0.00 0.00 -1.26 -4.74 105.19 99.88 1zem n GLY 261 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1zem n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93