#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pr6 s THR 2 N 0.00 2.17 0.56 0.00 -4.23 -0.00 -4.95 115.64 109.19 1pr6 s THR 2 Ca 0.00 -1.89 0.31 0.00 -1.18 0.00 0.00 61.69 58.93 1pr6 s THR 2 Cb 0.00 -2.97 0.46 0.00 1.34 0.00 0.00 72.50 71.32 1pr6 s THR 2 CO 0.00 -0.02 1.84 -0.65 -0.54 0.00 0.00 174.62 175.25 1pr6 h PRO 3 N 1.65 0.00 0.00 3.99 0.11 -2.02 -2.60 132.00 133.13 1pr6 h PRO 3 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1pr6 h PRO 3 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1pr6 h PRO 3 CO 0.75 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.26 1pr6 n HIS 4 N -4.00 0.00 -3.64 0.65 8.25 -1.26 -4.96 115.22 110.26 1pr6 n HIS 4 Ca 0.17 -0.13 -0.27 0.00 -0.26 0.00 0.00 57.72 57.22 1pr6 n HIS 4 Cb 0.95 -0.01 -0.16 0.00 1.12 0.00 0.00 29.99 31.88 1pr6 n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pr6 s ILE 5 N -0.25 0.18 -1.21 1.59 1.01 -0.98 -4.71 121.20 116.83 1pr6 s ILE 5 Ca 0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 59.99 1pr6 s ILE 5 Cb 0.00 -0.88 0.14 0.00 0.01 0.00 0.00 42.46 41.73 1pr6 s ILE 5 CO 0.00 -0.38 1.50 0.21 0.00 0.00 0.00 174.94 176.27 1pr6 s ASN 6 N 2.00 6.97 0.34 3.58 2.47 -1.26 -0.82 114.94 128.22 1pr6 s ASN 6 Ca 0.03 -2.74 -0.14 0.00 0.42 0.00 0.00 52.86 50.43 1pr6 s ASN 6 Cb -0.16 -2.45 0.03 0.00 -1.45 0.00 0.00 41.25 37.21 1pr6 s ASN 6 CO -0.16 -0.90 0.68 0.00 -3.72 0.00 0.00 177.10 173.00 1pr6 s ALA 7 N 2.47 -0.52 0.26 1.71 0.00 -1.26 -4.67 121.76 119.75 1pr6 s ALA 7 Ca 0.45 -0.80 0.09 0.00 0.00 0.00 0.00 51.96 51.70 1pr6 s ALA 7 Cb -0.01 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 1pr6 s ALA 7 CO 0.01 -0.95 -0.15 -1.21 0.00 0.00 0.00 175.76 173.47 1pr6 s GLU 8 N -3.00 1.55 0.06 0.00 0.41 -1.26 -1.32 118.70 115.14 1pr6 s GLU 8 Ca 0.18 -1.73 -0.36 0.00 -0.41 0.00 0.00 54.97 52.65 1pr6 s GLU 8 Cb -0.04 -1.44 -0.16 0.00 -1.78 0.00 0.00 34.13 30.72 1pr6 s GLU 8 CO 0.12 0.21 1.48 -0.12 -0.49 0.00 0.00 175.26 176.46 1pr6 n MET 9 N -0.55 1.48 0.00 1.61 0.00 -1.26 -1.05 117.12 117.34 1pr6 n MET 9 Ca -0.06 0.54 0.00 0.00 -0.00 0.00 0.00 57.70 58.17 1pr6 n MET 9 Cb 0.61 -2.23 0.00 0.00 0.00 0.00 0.00 33.22 31.60 1pr6 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pr6 n GLY 10 N 3.04 2.11 0.25 -5.12 0.00 -1.26 -4.92 105.19 99.29 1pr6 n GLY 10 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 1pr6 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pr6 h ASP 11 N 0.68 0.07 -3.28 1.61 5.19 -1.47 -3.42 116.42 115.80 1pr6 h ASP 11 Ca 0.00 -0.01 -0.65 0.00 -0.62 0.00 0.00 57.03 55.75 1pr6 h ASP 11 Cb 0.00 -0.02 -0.12 0.00 0.18 0.00 0.00 39.33 39.38 1pr6 h ASP 11 CO 0.00 0.14 -0.63 -0.36 -3.12 0.00 0.00 179.24 175.27 1pr6 s PHE 12 N -4.93 3.11 1.04 4.55 0.40 -1.26 -4.77 117.98 116.11 1pr6 s PHE 12 Ca -0.05 0.07 -0.16 0.00 -0.60 0.00 0.00 56.93 56.19 1pr6 s PHE 12 Cb 0.16 -1.63 0.21 0.00 0.51 0.00 0.00 43.02 42.28 1pr6 s PHE 12 CO 0.69 0.49 1.18 0.00 0.70 0.00 0.00 175.22 178.29 1pr6 s ALA 13 N -1.23 1.44 -1.91 5.36 0.00 -1.26 -4.93 121.76 119.23 1pr6 s ALA 13 Ca 0.24 -0.88 0.30 0.00 0.00 0.00 0.00 51.96 51.62 1pr6 s ALA 13 Cb -0.12 -2.90 1.49 0.00 0.00 0.00 0.00 23.12 21.58 1pr6 s ALA 13 CO 0.16 -2.84 2.00 -0.40 0.00 0.00 0.00 175.76 174.68 1pr6 n ASP 14 N -4.15 0.42 -4.01 0.00 5.75 -1.26 -4.60 116.55 108.71 1pr6 n ASP 14 Ca 0.12 -0.85 -0.24 0.00 -0.01 0.00 0.00 54.79 53.80 1pr6 n ASP 14 Cb 0.59 -0.06 -0.17 0.00 -1.03 0.00 0.00 41.12 40.46 1pr6 n ASP 14 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1pr6 s VAL 15 N -2.22 1.07 -0.08 2.12 1.01 -1.26 -0.32 120.40 120.72 1pr6 s VAL 15 Ca 0.38 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1pr6 s VAL 15 Cb 0.21 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.62 1pr6 s VAL 15 CO 0.41 0.34 -0.10 -0.69 0.00 0.00 0.00 175.10 175.06 1pr6 s VAL 16 N 0.72 1.02 0.03 2.92 1.01 -0.72 -2.45 120.40 122.93 1pr6 s VAL 16 Ca -0.14 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 1pr6 s VAL 16 Cb -0.16 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.19 1pr6 s VAL 16 CO 0.03 0.34 0.52 -0.76 0.00 0.00 0.00 175.10 175.23 1pr6 s LEU 17 N 1.01 4.49 -0.15 3.92 1.02 -0.41 -1.61 118.68 126.94 1pr6 s LEU 17 Ca -0.08 1.14 -0.03 0.00 0.02 0.00 0.00 54.13 55.18 1pr6 s LEU 17 Cb -0.15 -2.80 0.05 0.00 0.02 0.00 0.00 46.19 43.32 1pr6 s LEU 17 CO -0.00 0.25 0.04 -0.04 0.02 0.00 0.00 176.35 176.62 1pr6 s MET 18 N -0.89 0.46 0.49 1.70 -1.94 0.16 -2.30 119.30 116.98 1pr6 s MET 18 Ca 0.28 -0.18 0.00 0.00 -1.71 0.00 0.00 55.69 54.08 1pr6 s MET 18 Cb -0.18 -1.70 0.01 0.00 2.01 0.00 0.00 34.83 34.97 1pr6 s MET 18 CO 0.17 -0.56 0.71 -1.25 -0.01 0.00 0.00 175.02 174.08 1pr6 s PRO 19 N 1.97 2.89 -0.03 2.03 0.04 -1.25 -1.94 135.00 138.71 1pr6 s PRO 19 Ca 0.01 -0.57 -0.21 0.00 0.04 0.00 0.00 61.00 60.28 1pr6 s PRO 19 Cb -0.15 -2.53 -0.30 0.00 0.04 0.00 0.00 34.50 31.56 1pr6 s PRO 19 CO -0.07 -0.43 0.95 0.78 0.04 0.00 0.00 177.00 178.27 1pr6 h GLY 20 N 0.27 0.38 -5.78 0.56 0.00 -1.87 -0.74 103.07 95.89 1pr6 h GLY 20 Ca -0.45 -0.89 -0.57 0.00 0.00 0.00 0.00 47.33 45.43 1pr6 h GLY 20 CO 0.56 0.78 0.95 -0.35 0.00 0.00 0.00 176.54 178.48 1pr6 s ASP 21 N -6.94 6.73 0.39 0.19 -1.08 -1.26 -2.79 116.67 111.92 1pr6 s ASP 21 Ca -0.13 1.30 0.11 0.00 -0.52 0.00 0.00 52.55 53.32 1pr6 s ASP 21 Cb 0.02 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.85 1pr6 s ASP 21 CO 0.83 -1.01 1.92 -0.65 0.52 0.00 0.00 175.17 176.79 1pr6 h PRO 22 N 9.04 0.55 0.00 4.34 0.11 -1.93 -1.56 132.00 142.55 1pr6 h PRO 22 Ca -0.26 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1pr6 h PRO 22 Cb 1.10 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1pr6 h PRO 22 CO 1.02 0.36 -0.08 -0.07 -0.21 0.00 0.00 178.00 179.03 1pr6 h LEU 23 N 0.57 0.00 -1.23 2.35 3.38 -1.93 -2.06 115.31 116.39 1pr6 h LEU 23 Ca 0.37 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 1pr6 h LEU 23 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1pr6 h LEU 23 CO -0.13 0.08 -0.20 0.03 0.09 0.00 0.00 178.44 178.31 1pr6 h ARG 24 N 0.00 0.00 -0.31 1.13 2.47 -1.69 -3.21 114.38 112.77 1pr6 h ARG 24 Ca -0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1pr6 h ARG 24 Cb 0.21 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 1pr6 h ARG 24 CO 0.01 0.20 0.10 0.00 0.56 0.00 0.00 179.97 180.83 1pr6 h ALA 25 N 1.80 0.41 -0.39 0.04 0.00 -1.48 -1.56 119.26 118.08 1pr6 h ALA 25 Ca -0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1pr6 h ALA 25 Cb 0.68 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1pr6 h ALA 25 CO 0.03 0.05 -0.17 -0.22 0.00 0.00 0.00 179.25 178.93 1pr6 h LYS 26 N 0.35 0.74 -0.62 0.00 3.64 -1.70 -2.34 116.57 116.65 1pr6 h LYS 26 Ca 0.10 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1pr6 h LYS 26 Cb 0.25 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1pr6 h LYS 26 CO -0.00 0.87 0.35 -0.92 -2.27 0.00 0.00 179.45 177.48 1pr6 h TYR 27 N 0.66 0.83 -0.61 1.91 5.03 -1.52 -1.95 116.97 121.32 1pr6 h TYR 27 Ca 0.10 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.32 1pr6 h TYR 27 Cb 0.66 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.65 1pr6 h TYR 27 CO 0.03 0.59 0.07 0.82 -1.32 0.00 0.00 178.16 178.35 1pr6 h ILE 28 N 0.83 1.26 -0.81 1.81 2.04 -1.14 -0.19 117.51 121.31 1pr6 h ILE 28 Ca 0.22 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 1pr6 h ILE 28 Cb 0.02 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1pr6 h ILE 28 CO -0.04 0.38 0.35 0.00 0.00 0.00 0.00 178.15 178.84 1pr6 h ALA 29 N 1.01 1.08 0.00 1.87 0.00 -1.17 0.27 119.26 122.33 1pr6 h ALA 29 Ca 0.18 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1pr6 h ALA 29 Cb 0.46 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1pr6 h ALA 29 CO 0.02 0.66 -1.21 1.05 0.00 0.00 0.00 179.25 179.77 1pr6 h GLU 30 N 1.17 0.00 0.12 0.00 4.11 -1.26 -2.93 114.58 115.80 1pr6 h GLU 30 Ca 0.27 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.38 1pr6 h GLU 30 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1pr6 h GLU 30 CO -0.03 0.49 -1.65 1.15 0.07 0.00 0.00 179.01 179.05 1pr6 h THR 31 N 0.00 1.01 0.00 -1.06 2.02 -0.95 -3.43 112.91 110.51 1pr6 h THR 31 Ca -0.13 -2.68 -0.01 0.00 0.77 0.00 0.00 66.41 64.36 1pr6 h THR 31 Cb 1.66 2.69 -0.00 0.00 -1.74 0.00 0.00 68.15 70.76 1pr6 h THR 31 CO 0.07 0.80 -1.17 0.49 0.37 0.00 0.00 175.52 176.08 1pr6 n PHE 32 N -3.44 0.00 -3.80 3.16 3.01 0.08 -5.06 117.46 111.40 1pr6 n PHE 32 Ca -0.20 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.94 1pr6 n PHE 32 Cb 1.05 -0.10 -0.05 0.00 -0.01 0.00 0.00 39.48 40.38 1pr6 n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1pr6 s LEU 33 N -3.49 4.33 0.03 4.37 1.43 -1.10 -4.77 118.68 119.48 1pr6 s LEU 33 Ca -0.01 0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 53.52 1pr6 s LEU 33 Cb 0.02 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 1pr6 s LEU 33 CO 0.14 0.15 0.18 -0.70 0.23 0.00 0.00 176.35 176.36 1pr6 s GLU 34 N -2.37 3.38 -1.64 1.70 2.56 0.19 -4.55 118.70 117.96 1pr6 s GLU 34 Ca 0.35 -0.42 -0.13 0.00 0.00 0.00 0.00 54.97 54.77 1pr6 s GLU 34 Cb -0.13 -3.03 0.12 0.00 2.00 0.00 0.00 34.13 33.09 1pr6 s GLU 34 CO 0.24 0.63 0.60 -0.25 -0.56 0.00 0.00 175.26 175.92 1pr6 n ASP 35 N 0.58 -2.02 -4.77 -1.70 10.43 -1.26 -1.89 116.55 115.93 1pr6 n ASP 35 Ca -0.08 -1.07 -0.36 0.00 2.57 0.00 0.00 54.79 55.85 1pr6 n ASP 35 Cb 0.52 -2.57 0.01 0.00 1.84 0.00 0.00 41.12 40.92 1pr6 n ASP 35 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1pr6 s ALA 36 N -3.55 2.79 0.00 2.24 0.00 -1.26 -4.65 121.76 117.33 1pr6 s ALA 36 Ca 0.51 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1pr6 s ALA 36 Cb -0.28 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.43 1pr6 s ALA 36 CO 0.94 -0.85 -0.01 -0.98 0.00 0.00 0.00 175.76 174.86 1pr6 s ARG 37 N -3.02 0.08 0.18 0.00 1.70 -0.44 -4.96 118.95 112.48 1pr6 s ARG 37 Ca 0.70 -0.12 -0.30 0.00 -0.47 0.00 0.00 55.73 55.53 1pr6 s ARG 37 Cb -0.28 0.00 -0.08 0.00 -0.57 0.00 0.00 34.95 34.02 1pr6 s ARG 37 CO 0.33 -0.00 1.16 -2.00 -1.08 0.00 0.00 175.30 173.71 1pr6 s GLU 38 N -0.28 4.53 0.00 3.89 2.12 -1.26 -2.01 118.70 125.68 1pr6 s GLU 38 Ca -0.03 1.81 0.00 0.00 0.36 0.00 0.00 54.97 57.11 1pr6 s GLU 38 Cb -0.02 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.12 1pr6 s GLU 38 CO -0.00 -0.03 0.19 1.33 -0.54 0.00 0.00 175.26 176.22 1pr6 n VAL 39 N 2.46 0.00 -3.59 3.70 0.24 -0.04 -4.96 118.33 116.14 1pr6 n VAL 39 Ca 0.04 -0.33 -0.15 0.00 -2.04 0.00 0.00 64.34 61.86 1pr6 n VAL 39 Cb 0.45 1.21 -0.07 0.00 -1.47 0.00 0.00 33.84 33.97 1pr6 n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1pr6 s ASN 40 N -0.26 -0.68 0.00 -1.34 3.04 -1.22 -4.47 114.94 110.02 1pr6 s ASN 40 Ca 0.00 1.10 0.00 0.00 0.04 0.00 0.00 52.86 54.00 1pr6 s ASN 40 Cb 0.00 1.05 0.00 0.00 -1.54 0.00 0.00 41.25 40.76 1pr6 s ASN 40 CO 0.00 -0.38 0.00 -0.46 -3.04 0.00 0.00 177.10 173.22 1pr6 n ASN 41 N 1.94 0.00 -4.62 -4.21 0.23 -1.26 -1.80 115.26 105.54 1pr6 n ASN 41 Ca -0.16 -0.69 -0.49 0.00 -0.53 0.00 0.00 54.58 52.72 1pr6 n ASN 41 Cb 0.56 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.21 1pr6 n ASN 41 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1pr6 n VAL 42 N 0.00 0.42 -1.25 3.53 0.31 -1.26 -0.13 118.33 119.96 1pr6 n VAL 42 Ca 0.00 -0.11 -0.11 0.00 -0.01 0.00 0.00 64.34 64.11 1pr6 n VAL 42 Cb 0.17 -1.09 -0.05 0.00 -0.91 0.00 0.00 33.84 31.97 1pr6 n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pr6 n ARG 43 N 2.39 -1.59 -1.05 5.55 1.74 -1.26 -1.46 116.66 120.98 1pr6 n ARG 43 Ca 0.16 0.79 -0.02 0.00 -0.77 0.00 0.00 57.85 58.01 1pr6 n ARG 43 Cb 0.25 -5.02 -0.01 0.00 -1.02 0.00 0.00 32.46 26.66 1pr6 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pr6 n GLY 44 N 0.07 0.53 3.43 -0.13 0.00 0.82 -4.95 105.19 104.97 1pr6 n GLY 44 Ca -0.11 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 1pr6 n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pr6 n MET 45 N -2.50 3.42 -1.73 1.61 0.00 -0.53 -4.97 117.12 112.42 1pr6 n MET 45 Ca -0.02 -3.99 -0.42 0.00 0.00 0.00 0.00 57.70 53.27 1pr6 n MET 45 Cb 0.12 -2.93 -0.02 0.00 0.00 0.00 0.00 33.22 30.39 1pr6 n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1pr6 n LEU 46 N 4.93 4.19 -4.25 -0.89 4.77 -1.26 -4.31 117.00 120.19 1pr6 n LEU 46 Ca 0.34 1.12 -0.26 0.00 -0.03 0.00 0.00 56.01 57.17 1pr6 n LEU 46 Cb 0.42 -1.58 -0.15 0.00 -2.33 0.00 0.00 43.42 39.78 1pr6 n LEU 46 CO 0.59 0.14 -0.53 -0.83 -1.33 0.00 0.00 177.39 175.43 1pr6 s GLY 47 N 0.72 1.12 0.06 -0.72 0.00 -0.74 -3.93 107.32 103.82 1pr6 s GLY 47 Ca 0.68 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 44.39 1pr6 s GLY 47 CO 0.43 -0.93 -0.08 -1.36 0.00 0.00 0.00 173.10 171.16 1pr6 s PHE 48 N -0.72 0.79 -0.02 1.90 0.08 0.47 -0.86 117.98 119.61 1pr6 s PHE 48 Ca 0.08 -0.62 0.01 0.00 0.12 0.00 0.00 56.93 56.52 1pr6 s PHE 48 Cb -0.09 -0.46 0.01 0.00 -0.57 0.00 0.00 43.02 41.91 1pr6 s PHE 48 CO 0.01 -0.09 -0.04 0.99 -0.10 0.00 0.00 175.22 175.99 1pr6 s THR 49 N -2.05 0.41 0.00 0.64 2.01 -0.85 -0.56 115.64 115.24 1pr6 s THR 49 Ca -0.03 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1pr6 s THR 49 Cb -0.05 -0.41 0.00 0.00 0.01 0.00 0.00 72.50 72.05 1pr6 s THR 49 CO -0.01 0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 1pr6 n GLY 50 N 3.53 2.86 3.17 4.40 0.00 -0.02 -1.33 105.19 117.79 1pr6 n GLY 50 Ca -0.20 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 1pr6 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pr6 s THR 51 N -2.22 1.04 -0.22 2.61 -4.23 -0.79 -0.56 115.64 111.27 1pr6 s THR 51 Ca 0.00 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1pr6 s THR 51 Cb 0.00 -1.15 0.06 0.00 1.34 0.00 0.00 72.50 72.74 1pr6 s THR 51 CO 0.00 -0.35 -0.05 -0.47 -0.54 0.00 0.00 174.62 173.21 1pr6 s TYR 52 N -1.68 2.20 -1.49 3.99 6.14 0.35 -0.63 117.35 126.22 1pr6 s TYR 52 Ca 0.00 -1.57 -0.09 0.00 0.64 0.00 0.00 57.07 56.05 1pr6 s TYR 52 Cb -0.08 -1.51 0.06 0.00 0.42 0.00 0.00 41.96 40.86 1pr6 s TYR 52 CO 0.02 -0.74 0.78 1.63 0.64 0.00 0.00 175.55 177.88 1pr6 n LYS 53 N 4.73 -4.58 -0.03 4.97 5.02 -1.26 -1.15 118.16 125.86 1pr6 n LYS 53 Ca -0.12 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1pr6 n LYS 53 Cb 0.45 -5.18 0.00 0.00 -0.02 0.00 0.00 35.03 30.28 1pr6 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pr6 n GLY 54 N -1.67 2.44 3.73 0.72 0.00 -1.26 -5.02 105.19 104.13 1pr6 n GLY 54 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1pr6 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pr6 s ARG 55 N -0.17 4.35 0.05 1.61 3.00 -0.30 -5.00 118.95 122.49 1pr6 s ARG 55 Ca 0.00 0.56 -0.31 0.00 -1.00 0.00 0.00 55.73 54.98 1pr6 s ARG 55 Cb 0.00 -3.42 -0.07 0.00 0.00 0.00 0.00 34.95 31.46 1pr6 s ARG 55 CO 0.00 0.17 1.41 0.21 0.00 0.00 0.00 175.30 177.09 1pr6 s LYS 56 N 0.54 4.30 0.01 5.12 2.20 -1.26 -0.50 119.74 130.15 1pr6 s LYS 56 Ca 0.29 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 57.92 1pr6 s LYS 56 Cb -0.16 -3.44 -0.01 0.00 -1.51 0.00 0.00 37.83 32.71 1pr6 s LYS 56 CO 0.13 -0.52 -0.02 0.42 -0.36 0.00 0.00 175.35 175.00 1pr6 s ILE 57 N 1.85 0.06 0.23 5.43 -1.09 0.27 -4.68 121.20 123.27 1pr6 s ILE 57 Ca 0.65 -0.47 0.10 0.00 -2.23 0.00 0.00 60.65 58.70 1pr6 s ILE 57 Cb -0.34 -0.14 -0.05 0.00 -1.58 0.00 0.00 42.46 40.35 1pr6 s ILE 57 CO 0.28 -0.26 -0.19 -0.44 -1.23 0.00 0.00 174.94 173.10 1pr6 s SER 58 N -0.75 3.20 -0.11 3.58 0.01 -1.03 -0.84 113.70 117.76 1pr6 s SER 58 Ca -0.08 -0.97 -0.08 0.00 1.31 0.00 0.00 55.95 56.13 1pr6 s SER 58 Cb -0.05 -0.23 0.04 0.00 0.21 0.00 0.00 66.02 65.98 1pr6 s SER 58 CO -0.01 0.00 0.27 0.54 0.41 0.00 0.00 173.24 174.46 1pr6 s VAL 59 N -2.37 -0.02 -0.25 3.43 0.11 0.28 -1.29 120.40 120.30 1pr6 s VAL 59 Ca 0.24 0.07 -0.26 0.00 -2.93 0.00 0.00 61.98 59.10 1pr6 s VAL 59 Cb -0.05 -0.40 0.09 0.00 -1.53 0.00 0.00 36.38 34.49 1pr6 s VAL 59 CO 0.11 0.03 0.81 -0.32 -3.33 0.00 0.00 175.10 172.40 1pr6 s MET 60 N 0.70 0.76 0.73 1.54 0.00 -0.97 -0.40 119.30 121.66 1pr6 s MET 60 Ca -0.05 0.78 -0.12 0.00 0.00 0.00 0.00 55.69 56.31 1pr6 s MET 60 Cb -0.06 0.37 0.04 0.00 0.00 0.00 0.00 34.83 35.18 1pr6 s MET 60 CO -0.04 -0.11 1.10 0.20 0.00 0.00 0.00 175.02 176.16 1pr6 s GLY 61 N 0.13 1.84 0.00 2.11 0.00 -1.25 -3.87 107.32 106.27 1pr6 s GLY 61 Ca -0.00 0.36 0.03 0.00 0.00 0.00 0.00 44.72 45.11 1pr6 s GLY 61 CO -0.00 0.70 0.25 -2.39 0.00 0.00 0.00 173.10 171.66 1pr6 n HIS 62 N -3.14 0.00 0.00 1.90 1.44 -0.28 -4.90 115.22 110.23 1pr6 n HIS 62 Ca 0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.80 1pr6 n HIS 62 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 1pr6 n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1pr6 n GLY 63 N 0.85 -1.65 3.72 -1.39 0.00 -1.12 -3.17 105.19 102.43 1pr6 n GLY 63 Ca 0.01 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 1pr6 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pr6 s MET 64 N -2.34 4.43 0.00 1.61 1.00 -1.26 -4.58 119.30 118.16 1pr6 s MET 64 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 55.69 56.55 1pr6 s MET 64 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 34.83 31.39 1pr6 s MET 64 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 175.02 175.52 1pr6 n GLY 65 N 3.06 2.26 0.13 -0.03 0.00 -1.25 -4.57 105.19 104.79 1pr6 n GLY 65 Ca -0.02 -1.80 -0.07 0.00 0.00 0.00 0.00 46.02 44.13 1pr6 n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pr6 h ILE 66 N 0.00 0.88 -0.82 -0.61 2.04 -1.79 -2.39 117.51 114.82 1pr6 h ILE 66 Ca 0.00 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1pr6 h ILE 66 Cb 0.00 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 1pr6 h ILE 66 CO 0.00 0.03 0.54 -0.65 0.00 0.00 0.00 178.15 178.07 1pr6 h PRO 67 N 0.18 0.94 0.22 2.37 0.11 -1.91 -0.81 132.00 133.11 1pr6 h PRO 67 Ca 0.13 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1pr6 h PRO 67 Cb 0.13 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1pr6 h PRO 67 CO -0.16 0.62 -0.11 1.03 -0.21 0.00 0.00 178.00 179.17 1pr6 h SER 68 N 0.97 -0.25 0.29 -2.05 0.87 -1.75 -3.11 113.55 108.53 1pr6 h SER 68 Ca 0.34 -0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1pr6 h SER 68 Cb 0.11 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1pr6 h SER 68 CO -0.11 0.23 -0.09 0.00 -0.53 0.00 0.00 176.83 176.33 1pr6 h SER 70 N 0.00 0.31 0.20 0.00 0.02 -1.16 -1.38 113.55 111.53 1pr6 h SER 70 Ca -0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1pr6 h SER 70 Cb 0.26 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1pr6 h SER 70 CO 0.01 0.64 -0.10 0.40 -1.14 0.00 0.00 176.83 176.65 1pr6 h ILE 71 N 0.26 0.88 -0.28 3.27 2.04 -1.31 -2.60 117.51 119.77 1pr6 h ILE 71 Ca 0.03 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 1pr6 h ILE 71 Cb 0.73 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1pr6 h ILE 71 CO 0.06 0.18 0.13 1.88 0.00 0.00 0.00 178.15 180.39 1pr6 h TYR 72 N -0.71 0.41 -0.60 1.37 0.05 -1.50 -2.22 116.97 113.77 1pr6 h TYR 72 Ca -0.03 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.67 1pr6 h TYR 72 Cb 0.49 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 1pr6 h TYR 72 CO 0.05 0.39 0.13 1.79 -1.05 0.00 0.00 178.16 179.47 1pr6 h THR 73 N 0.31 1.24 -0.20 -2.88 1.35 -1.36 -1.81 112.91 109.55 1pr6 h THR 73 Ca 0.09 -0.91 -0.01 0.00 -0.55 0.00 0.00 66.41 65.04 1pr6 h THR 73 Cb 0.14 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.19 1pr6 h THR 73 CO -0.01 0.34 0.09 0.50 -0.25 0.00 0.00 175.52 176.19 1pr6 h LYS 74 N 0.90 0.29 -0.66 4.72 3.11 -1.32 -2.05 116.57 121.56 1pr6 h LYS 74 Ca 0.19 -0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 57.92 1pr6 h LYS 74 Cb 0.35 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.50 1pr6 h LYS 74 CO 0.00 0.32 0.16 0.93 -2.81 0.00 0.00 179.45 178.05 1pr6 h GLU 75 N 0.19 1.06 -0.75 1.90 5.08 -1.26 -1.31 114.58 119.49 1pr6 h GLU 75 Ca 0.07 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1pr6 h GLU 75 Cb 0.13 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1pr6 h GLU 75 CO -0.01 0.95 0.41 -0.07 -1.00 0.00 0.00 179.01 179.29 1pr6 h LEU 76 N 0.99 0.94 0.06 1.33 3.38 -1.24 -0.14 115.31 120.63 1pr6 h LEU 76 Ca 0.21 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pr6 h LEU 76 Cb 0.37 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1pr6 h LEU 76 CO 0.00 0.78 -0.03 0.40 0.09 0.00 0.00 178.44 179.68 1pr6 h ILE 77 N 1.04 1.24 0.00 1.22 2.04 -1.18 -2.06 117.51 119.81 1pr6 h ILE 77 Ca 0.26 -1.11 -0.11 0.00 1.00 0.00 0.00 64.86 64.90 1pr6 h ILE 77 Cb 0.05 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1pr6 h ILE 77 CO -0.04 0.27 -0.54 0.71 0.00 0.00 0.00 178.15 178.56 1pr6 h THR 78 N -0.58 0.92 0.00 -0.27 1.35 -1.25 -3.32 112.91 109.75 1pr6 h THR 78 Ca -0.01 -2.30 0.00 0.00 -0.55 0.00 0.00 66.41 63.56 1pr6 h THR 78 Cb 0.51 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1pr6 h THR 78 CO 0.01 0.52 -0.33 0.47 -0.25 0.00 0.00 175.52 175.95 1pr6 n ASP 79 N -3.24 0.70 -0.12 5.36 9.92 -0.07 -4.73 116.55 124.37 1pr6 n ASP 79 Ca 0.02 -0.52 0.06 0.00 -0.53 0.00 0.00 54.79 53.82 1pr6 n ASP 79 Cb 0.75 1.03 0.09 0.00 -0.64 0.00 0.00 41.12 42.34 1pr6 n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1pr6 n PHE 80 N -1.17 0.00 -1.45 1.24 3.01 -0.81 -4.52 117.46 113.75 1pr6 n PHE 80 Ca 0.01 -0.71 -0.16 0.00 1.01 0.00 0.00 57.45 57.60 1pr6 n PHE 80 Cb 0.07 -0.11 -0.07 0.00 -0.01 0.00 0.00 39.48 39.37 1pr6 n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pr6 n GLY 81 N -0.98 1.49 3.74 1.37 0.00 -1.17 -4.66 105.19 104.99 1pr6 n GLY 81 Ca 0.10 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1pr6 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pr6 s VAL 82 N -2.34 2.51 -0.16 1.61 1.01 -0.98 -4.76 120.40 117.31 1pr6 s VAL 82 Ca 0.00 0.42 0.13 0.00 0.00 0.00 0.00 61.98 62.53 1pr6 s VAL 82 Cb 0.00 -3.27 -0.19 0.00 0.00 0.00 0.00 36.38 32.93 1pr6 s VAL 82 CO 0.00 0.06 0.03 0.29 0.00 0.00 0.00 175.10 175.48 1pr6 n LYS 83 N 2.60 1.40 -4.24 2.72 4.76 0.57 -4.55 118.16 121.42 1pr6 n LYS 83 Ca 0.08 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.36 1pr6 n LYS 83 Cb 0.39 -1.40 -0.15 0.00 -1.84 0.00 0.00 35.03 32.04 1pr6 n LYS 83 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1pr6 s LYS 84 N -2.37 0.54 -0.11 1.97 1.02 -0.81 -1.79 119.74 118.18 1pr6 s LYS 84 Ca -0.09 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 55.67 1pr6 s LYS 84 Cb 0.05 -0.52 0.01 0.00 -0.52 0.00 0.00 37.83 36.85 1pr6 s LYS 84 CO 0.62 0.14 -0.16 0.42 -0.92 0.00 0.00 175.35 175.45 1pr6 s ILE 85 N -0.16 1.55 -0.26 2.17 -1.09 -0.59 -1.75 121.20 121.07 1pr6 s ILE 85 Ca 0.03 -0.67 0.03 0.00 -2.23 0.00 0.00 60.65 57.81 1pr6 s ILE 85 Cb -0.03 -1.42 0.06 0.00 -1.58 0.00 0.00 42.46 39.50 1pr6 s ILE 85 CO -0.00 0.45 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.43 1pr6 s ILE 86 N 1.01 2.18 0.01 2.92 1.01 -0.64 -1.16 121.20 126.54 1pr6 s ILE 86 Ca -0.06 -1.67 -0.26 0.00 0.00 0.00 0.00 60.65 58.66 1pr6 s ILE 86 Cb -0.15 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 1pr6 s ILE 86 CO -0.02 -0.06 0.81 -0.60 0.00 0.00 0.00 174.94 175.07 1pr6 s ARG 87 N 1.09 4.52 -0.29 2.79 3.52 0.17 -0.66 118.95 130.08 1pr6 s ARG 87 Ca -0.08 1.13 0.02 0.00 -0.13 0.00 0.00 55.73 56.67 1pr6 s ARG 87 Cb -0.20 -3.41 0.08 0.00 -1.56 0.00 0.00 34.95 29.87 1pr6 s ARG 87 CO -0.05 0.15 0.01 0.14 -0.81 0.00 0.00 175.30 174.74 1pr6 s VAL 88 N 0.39 1.67 0.00 7.11 -7.23 -0.82 -0.80 120.40 120.73 1pr6 s VAL 88 Ca 0.42 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 1pr6 s VAL 88 Cb -0.20 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.64 1pr6 s VAL 88 CO 0.23 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 1pr6 n GLY 89 N 4.55 4.93 3.54 2.32 0.00 -0.44 -4.26 105.19 115.83 1pr6 n GLY 89 Ca -0.04 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.48 1pr6 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pr6 s SER 90 N 1.15 3.78 0.22 1.61 1.04 -1.26 -1.47 113.70 118.78 1pr6 s SER 90 Ca 0.00 -1.11 -0.13 0.00 0.48 0.00 0.00 55.95 55.20 1pr6 s SER 90 Cb 0.00 -0.38 -0.00 0.00 0.10 0.00 0.00 66.02 65.74 1pr6 s SER 90 CO 0.00 -0.14 0.44 0.00 0.98 0.00 0.00 173.24 174.52 1pr6 s GLY 92 N -2.99 1.64 0.10 0.00 0.00 -0.59 -1.22 107.32 104.26 1pr6 s GLY 92 Ca 0.20 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 44.02 1pr6 s GLY 92 CO 0.06 -0.71 0.15 0.00 0.00 0.00 0.00 173.10 172.60 1pr6 s ALA 93 N -0.79 3.73 -0.02 3.20 0.00 -0.25 0.18 121.76 127.81 1pr6 s ALA 93 Ca 0.12 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1pr6 s ALA 93 Cb -0.11 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 1pr6 s ALA 93 CO 0.01 0.69 0.03 1.33 0.00 0.00 0.00 175.76 177.82 1pr6 n VAL 94 N 0.10 0.00 -2.92 0.00 0.24 -1.26 -0.15 118.33 114.34 1pr6 n VAL 94 Ca -0.07 -0.18 -0.40 0.00 -2.04 0.00 0.00 64.34 61.65 1pr6 n VAL 94 Cb 0.52 0.65 -0.05 0.00 -1.47 0.00 0.00 33.84 33.50 1pr6 n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1pr6 s LEU 95 N -2.73 4.49 0.31 1.34 1.43 -1.26 -4.88 118.68 117.37 1pr6 s LEU 95 Ca -0.00 1.57 0.01 0.00 -1.03 0.00 0.00 54.13 54.68 1pr6 s LEU 95 Cb 0.01 -3.33 0.49 0.00 0.03 0.00 0.00 46.19 43.39 1pr6 s LEU 95 CO 0.04 0.03 1.84 -0.65 0.23 0.00 0.00 176.35 177.84 1pr6 h PRO 96 N 5.41 0.68 0.00 1.29 0.11 -1.99 -2.73 132.00 134.77 1pr6 h PRO 96 Ca -0.44 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.52 1pr6 h PRO 96 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1pr6 h PRO 96 CO 0.70 0.66 0.00 -2.39 -0.21 0.00 0.00 178.00 176.76 1pr6 n HIS 97 N -4.27 0.00 -3.34 0.65 1.44 -1.26 -4.66 115.22 103.77 1pr6 n HIS 97 Ca 0.03 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.34 1pr6 n HIS 97 Cb 0.24 -0.19 -0.09 0.00 0.12 0.00 0.00 29.99 30.08 1pr6 n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1pr6 s VAL 98 N -2.38 5.14 0.21 0.61 1.01 -1.03 -5.07 120.40 118.89 1pr6 s VAL 98 Ca 0.32 0.66 0.02 0.00 0.00 0.00 0.00 61.98 62.98 1pr6 s VAL 98 Cb 0.19 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1pr6 s VAL 98 CO 0.40 0.13 0.37 -0.54 0.00 0.00 0.00 175.10 175.46 1pr6 s LYS 99 N 2.14 3.48 0.36 2.72 -0.14 -1.26 -4.86 119.74 122.19 1pr6 s LYS 99 Ca 0.17 -0.50 -0.28 0.00 -1.36 0.00 0.00 55.97 54.00 1pr6 s LYS 99 Cb -0.16 -2.87 -0.12 0.00 -1.68 0.00 0.00 37.83 33.01 1pr6 s LYS 99 CO 0.10 0.42 1.33 -0.11 -0.76 0.00 0.00 175.35 176.32 1pr6 n LEU 100 N -0.88 3.91 0.00 3.17 7.94 -1.26 -1.19 117.00 128.68 1pr6 n LEU 100 Ca -0.06 1.19 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 1pr6 n LEU 100 Cb 0.55 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.98 1pr6 n LEU 100 CO 0.48 -0.38 0.00 0.54 -1.11 0.00 0.00 177.39 176.92 1pr6 n ARG 101 N 0.43 -0.01 -2.10 1.96 1.74 0.13 -4.95 116.66 113.85 1pr6 n ARG 101 Ca 0.04 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.76 1pr6 n ARG 101 Cb 0.37 -2.88 0.02 0.00 -1.02 0.00 0.00 32.46 28.95 1pr6 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pr6 s ASP 102 N -2.79 5.59 -0.24 0.55 1.11 -0.34 -4.62 116.67 115.94 1pr6 s ASP 102 Ca 0.00 2.38 -0.10 0.00 0.18 0.00 0.00 52.55 55.00 1pr6 s ASP 102 Cb 0.00 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.34 1pr6 s ASP 102 CO 0.00 -1.32 0.15 -0.69 1.18 0.00 0.00 175.17 174.49 1pr6 s VAL 103 N -1.57 5.24 0.02 -1.27 1.01 -1.26 -0.78 120.40 121.78 1pr6 s VAL 103 Ca 0.72 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.91 1pr6 s VAL 103 Cb -0.30 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1pr6 s VAL 103 CO 0.34 0.34 -0.23 0.68 0.00 0.00 0.00 175.10 176.23 1pr6 s VAL 104 N 1.15 1.84 -0.17 2.92 -7.23 -0.20 -1.74 120.40 116.98 1pr6 s VAL 104 Ca 0.07 -1.15 -0.00 0.00 -1.81 0.00 0.00 61.98 59.09 1pr6 s VAL 104 Cb -0.14 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.24 1pr6 s VAL 104 CO 0.05 0.38 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.44 1pr6 s ILE 105 N -0.68 2.68 -0.82 -0.62 1.01 0.90 -1.74 121.20 121.93 1pr6 s ILE 105 Ca 0.09 -0.75 -0.21 0.00 0.00 0.00 0.00 60.65 59.77 1pr6 s ILE 105 Cb -0.09 -2.15 0.09 0.00 0.01 0.00 0.00 42.46 40.32 1pr6 s ILE 105 CO 0.01 0.51 1.10 -0.83 0.00 0.00 0.00 174.94 175.73 1pr6 s GLY 106 N 0.98 1.57 0.40 6.18 0.00 -0.87 -1.80 107.32 113.77 1pr6 s GLY 106 Ca -0.02 -2.26 0.18 0.00 0.00 0.00 0.00 44.72 42.62 1pr6 s GLY 106 CO -0.02 2.14 1.84 1.98 0.00 0.00 0.00 173.10 179.03 1pr6 h MET 107 N 9.31 0.00 -4.35 2.90 4.05 -1.38 -3.41 114.93 122.06 1pr6 h MET 107 Ca -0.04 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.21 1pr6 h MET 107 Cb 1.04 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 31.70 1pr6 h MET 107 CO 1.19 0.33 -0.61 0.20 0.23 0.00 0.00 176.91 178.25 1pr6 s GLY 108 N -4.31 0.89 -0.13 1.39 0.00 -1.15 -1.82 107.32 102.19 1pr6 s GLY 108 Ca -0.02 -1.38 -0.04 0.00 0.00 0.00 0.00 44.72 43.28 1pr6 s GLY 108 CO 0.68 -1.29 0.20 0.00 0.00 0.00 0.00 173.10 172.70 1pr6 s ALA 109 N -4.03 -0.29 0.76 3.20 0.00 -0.46 -1.72 121.76 119.22 1pr6 s ALA 109 Ca 0.22 0.57 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 1pr6 s ALA 109 Cb 0.07 -1.01 0.06 0.00 0.00 0.00 0.00 23.12 22.24 1pr6 s ALA 109 CO 0.01 -0.77 1.13 0.00 0.00 0.00 0.00 175.76 176.13 1pr6 s THR 111 N -3.46 0.00 -0.46 0.00 -1.32 -1.26 -0.22 115.64 108.92 1pr6 s THR 111 Ca 0.60 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.20 1pr6 s THR 111 Cb -0.11 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.21 1pr6 s THR 111 CO 0.49 0.00 1.26 -0.90 -2.21 0.00 0.00 174.62 173.26 1pr6 n ASP 112 N -0.19 3.04 -4.89 8.08 3.85 -1.21 -4.97 116.55 120.25 1pr6 n ASP 112 Ca -0.09 -2.44 -0.29 0.00 -0.71 0.00 0.00 54.79 51.26 1pr6 n ASP 112 Cb 0.62 -0.32 0.03 0.00 -1.35 0.00 0.00 41.12 40.10 1pr6 n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1pr6 s SER 113 N -1.49 5.73 0.00 -1.12 0.15 -1.26 -4.87 113.70 110.84 1pr6 s SER 113 Ca 0.27 1.05 0.17 0.00 0.70 0.00 0.00 55.95 58.14 1pr6 s SER 113 Cb 0.19 -2.01 0.10 0.00 -1.71 0.00 0.00 66.02 62.59 1pr6 s SER 113 CO 0.10 -1.09 1.00 1.17 1.20 0.00 0.00 173.24 175.62 1pr6 n LYS 114 N -2.76 1.49 -0.27 5.44 4.81 -1.26 -4.69 118.16 120.92 1pr6 n LYS 114 Ca 0.05 -1.33 0.01 0.00 -0.87 0.00 0.00 58.31 56.18 1pr6 n LYS 114 Cb 0.56 -1.32 0.14 0.00 0.02 0.00 0.00 35.03 34.44 1pr6 n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1pr6 h VAL 115 N 2.96 0.92 -0.00 3.15 -1.51 -2.00 -1.82 116.25 117.95 1pr6 h VAL 115 Ca 0.00 -0.26 -0.16 0.00 -1.23 0.00 0.00 66.70 65.05 1pr6 h VAL 115 Cb 0.68 0.11 -0.02 0.00 -2.13 0.00 0.00 31.29 29.93 1pr6 h VAL 115 CO 0.00 0.14 -0.76 0.78 -1.23 0.00 0.00 177.57 176.50 1pr6 h ASN 116 N 0.75 0.06 0.09 4.19 -0.26 -1.94 -2.66 115.58 115.81 1pr6 h ASN 116 Ca 0.37 -0.05 -0.10 0.00 -0.56 0.00 0.00 56.30 55.96 1pr6 h ASN 116 Cb 0.31 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1pr6 h ASN 116 CO -0.23 0.80 -0.32 0.03 -1.06 0.00 0.00 177.43 176.65 1pr6 h ARG 117 N 0.03 0.34 -0.32 0.81 3.08 -1.71 0.29 114.38 116.90 1pr6 h ARG 117 Ca -0.01 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.81 1pr6 h ARG 117 Cb 1.34 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.36 1pr6 h ARG 117 CO 0.10 0.63 -0.19 0.82 -1.07 0.00 0.00 179.97 180.26 1pr6 h ILE 118 N 0.30 1.26 0.05 2.04 2.04 -1.19 0.31 117.51 122.32 1pr6 h ILE 118 Ca 0.04 -1.20 -0.23 0.00 1.00 0.00 0.00 64.86 64.47 1pr6 h ILE 118 Cb 0.71 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1pr6 h ILE 118 CO 0.05 0.39 -1.04 0.03 0.00 0.00 0.00 178.15 177.59 1pr6 h ARG 119 N 0.52 0.17 -0.84 2.37 3.08 -1.04 -3.37 114.38 115.28 1pr6 h ARG 119 Ca 0.08 -0.25 -0.55 0.00 0.07 0.00 0.00 59.98 59.33 1pr6 h ARG 119 Cb 0.62 0.08 -0.30 0.00 0.08 0.00 0.00 29.97 30.45 1pr6 h ARG 119 CO 0.04 1.06 0.26 0.34 -1.07 0.00 0.00 179.97 180.61 1pr6 n PHE 120 N -3.53 2.78 -3.59 3.04 7.35 0.96 -4.94 117.46 119.52 1pr6 n PHE 120 Ca -0.04 -2.48 -0.27 0.00 -0.76 0.00 0.00 57.45 53.90 1pr6 n PHE 120 Cb 0.92 -0.96 -0.00 0.00 0.35 0.00 0.00 39.48 39.78 1pr6 n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pr6 n LYS 121 N -0.92 -3.77 -1.68 -4.13 5.02 -1.11 -1.55 118.16 110.01 1pr6 n LYS 121 Ca 0.53 0.49 -0.13 0.00 -2.02 0.00 0.00 58.31 57.19 1pr6 n LYS 121 Cb 0.92 -5.25 -0.04 0.00 -0.02 0.00 0.00 35.03 30.64 1pr6 n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1pr6 n ASP 122 N -2.45 -4.35 -3.95 4.39 2.03 0.11 -5.02 116.55 107.30 1pr6 n ASP 122 Ca 0.01 0.20 -0.16 0.00 0.52 0.00 0.00 54.79 55.35 1pr6 n ASP 122 Cb 0.53 -3.18 0.01 0.00 -0.72 0.00 0.00 41.12 37.76 1pr6 n ASP 122 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1pr6 n HIS 123 N -3.12 -1.36 -3.12 -0.67 8.25 -0.60 -5.03 115.22 109.58 1pr6 n HIS 123 Ca -0.14 -1.55 -0.42 0.00 -0.26 0.00 0.00 57.72 55.36 1pr6 n HIS 123 Cb 0.49 -0.33 -0.07 0.00 1.12 0.00 0.00 29.99 31.20 1pr6 n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pr6 s ASP 124 N -3.28 6.38 -0.25 0.41 -0.00 -1.26 -4.60 116.67 114.08 1pr6 s ASP 124 Ca 0.27 -0.05 -0.11 0.00 -0.00 0.00 0.00 52.55 52.66 1pr6 s ASP 124 Cb -0.02 -2.32 -0.05 0.00 -0.00 0.00 0.00 42.92 40.53 1pr6 s ASP 124 CO 0.17 -0.66 0.19 0.12 -0.00 0.00 0.00 175.17 175.00 1pr6 s PHE 125 N 2.73 3.29 -0.66 4.23 5.36 -1.26 -5.04 117.98 126.64 1pr6 s PHE 125 Ca 0.23 0.24 -0.27 0.00 -0.96 0.00 0.00 56.93 56.17 1pr6 s PHE 125 Cb -0.14 -2.33 0.04 0.00 -0.34 0.00 0.00 43.02 40.24 1pr6 s PHE 125 CO 0.16 -0.01 1.18 0.00 -1.46 0.00 0.00 175.22 175.10 1pr6 s ALA 126 N 1.29 2.92 -0.49 11.12 0.00 -1.26 -4.96 121.76 130.37 1pr6 s ALA 126 Ca 0.09 -1.22 -0.28 0.00 0.00 0.00 0.00 51.96 50.54 1pr6 s ALA 126 Cb -0.14 -4.08 -0.00 0.00 0.00 0.00 0.00 23.12 18.89 1pr6 s ALA 126 CO 0.07 -2.92 1.60 0.00 0.00 0.00 0.00 175.76 174.50 1pr6 s ALA 127 N 5.10 2.73 0.26 0.00 0.00 -1.26 -4.97 121.76 123.61 1pr6 s ALA 127 Ca 0.36 -0.37 0.10 0.00 0.00 0.00 0.00 51.96 52.05 1pr6 s ALA 127 Cb -0.09 -4.10 -0.05 0.00 0.00 0.00 0.00 23.12 18.88 1pr6 s ALA 127 CO 0.18 -2.98 -0.15 0.96 0.00 0.00 0.00 175.76 173.78 1pr6 s ILE 128 N 6.78 2.10 0.74 0.00 -4.36 -1.26 -1.35 121.20 123.84 1pr6 s ILE 128 Ca 0.63 -2.29 -0.04 0.00 -0.26 0.00 0.00 60.65 58.70 1pr6 s ILE 128 Cb -0.14 -2.27 0.12 0.00 1.25 0.00 0.00 42.46 41.41 1pr6 s ILE 128 CO 0.27 -0.43 1.02 0.00 0.24 0.00 0.00 174.94 176.05 1pr6 s ALA 129 N -2.74 3.40 -0.03 2.27 0.00 -0.76 -4.83 121.76 119.07 1pr6 s ALA 129 Ca 0.28 -1.46 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 1pr6 s ALA 129 Cb -0.02 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 1pr6 s ALA 129 CO 0.12 -1.50 1.00 0.34 0.00 0.00 0.00 175.76 175.72 1pr6 s ASP 130 N -4.69 7.31 0.18 0.00 -1.08 -0.93 -4.96 116.67 112.50 1pr6 s ASP 130 Ca 0.65 1.64 -0.14 0.00 -0.52 0.00 0.00 52.55 54.18 1pr6 s ASP 130 Cb -0.07 -2.57 0.13 0.00 -1.46 0.00 0.00 42.92 38.96 1pr6 s ASP 130 CO 0.45 -0.33 1.76 0.15 0.52 0.00 0.00 175.17 177.72 1pr6 h PHE 131 N 6.91 0.36 -0.97 -5.34 3.57 -1.96 -2.49 116.94 117.01 1pr6 h PHE 131 Ca -0.38 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.15 1pr6 h PHE 131 Cb 1.20 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.80 1pr6 h PHE 131 CO 0.69 0.15 0.64 -0.44 -2.23 0.00 0.00 178.31 177.12 1pr6 h ASP 132 N 0.40 1.13 -0.51 0.41 3.32 -1.99 -1.10 116.42 118.08 1pr6 h ASP 132 Ca 0.21 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1pr6 h ASP 132 Cb 0.18 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1pr6 h ASP 132 CO -0.19 0.82 0.22 0.24 -1.72 0.00 0.00 179.24 178.62 1pr6 h MET 133 N 1.32 0.79 0.02 3.56 2.86 -1.88 0.19 114.93 121.80 1pr6 h MET 133 Ca 0.36 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1pr6 h MET 133 Cb -0.14 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.38 1pr6 h MET 133 CO -0.08 0.65 -0.01 0.28 1.06 0.00 0.00 176.91 178.81 1pr6 h VAL 134 N 0.78 1.15 -0.60 -2.22 2.07 -0.93 -2.09 116.25 114.42 1pr6 h VAL 134 Ca 0.19 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1pr6 h VAL 134 Cb 0.15 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1pr6 h VAL 134 CO -0.02 0.14 0.25 -0.09 0.02 0.00 0.00 177.57 177.86 1pr6 h ARG 135 N -0.26 0.86 -0.53 1.57 2.43 -0.80 -1.89 114.38 115.77 1pr6 h ARG 135 Ca -0.00 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 1pr6 h ARG 135 Cb 0.25 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1pr6 h ARG 135 CO 0.01 0.70 0.28 -0.91 -1.51 0.00 0.00 179.97 178.53 1pr6 h ASN 136 N 0.85 0.68 -0.53 -3.80 2.35 -0.51 -1.60 115.58 113.03 1pr6 h ASN 136 Ca 0.20 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 1pr6 h ASN 136 Cb 0.16 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1pr6 h ASN 136 CO -0.02 0.60 0.12 0.00 -1.65 0.00 0.00 177.43 176.48 1pr6 h ALA 137 N 1.11 0.70 -0.37 -0.83 0.00 -1.02 -0.48 119.26 118.38 1pr6 h ALA 137 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pr6 h ALA 137 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1pr6 h ALA 137 CO -0.03 0.41 0.23 0.28 0.00 0.00 0.00 179.25 180.14 1pr6 h VAL 138 N 0.75 1.11 -0.50 0.00 2.07 -1.14 -0.62 116.25 117.91 1pr6 h VAL 138 Ca 0.17 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.35 1pr6 h VAL 138 Cb 0.35 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1pr6 h VAL 138 CO 0.00 0.10 -0.15 0.44 0.02 0.00 0.00 177.57 177.99 1pr6 h ASP 139 N 0.49 0.97 -0.65 0.57 3.45 -1.17 -1.86 116.42 118.21 1pr6 h ASP 139 Ca 0.13 -0.33 -0.08 0.00 0.43 0.00 0.00 57.03 57.18 1pr6 h ASP 139 Cb -0.03 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.45 1pr6 h ASP 139 CO -0.03 1.11 0.09 0.00 -1.57 0.00 0.00 179.24 178.84 1pr6 h ALA 140 N 0.97 0.91 -0.38 3.45 0.00 -0.85 -1.78 119.26 121.58 1pr6 h ALA 140 Ca 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1pr6 h ALA 140 Cb 0.70 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1pr6 h ALA 140 CO 0.05 0.67 0.11 0.00 0.00 0.00 0.00 179.25 180.09 1pr6 h ALA 141 N 1.07 0.49 -0.88 0.00 0.00 -0.96 -2.62 119.26 116.36 1pr6 h ALA 141 Ca 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1pr6 h ALA 141 Cb 0.45 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1pr6 h ALA 141 CO 0.01 0.14 0.51 -0.22 0.00 0.00 0.00 179.25 179.70 1pr6 h LYS 142 N 0.46 1.20 0.00 0.00 3.64 -1.10 0.58 116.57 121.35 1pr6 h LYS 142 Ca 0.12 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1pr6 h LYS 142 Cb 0.26 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1pr6 h LYS 142 CO -0.00 0.85 -0.11 0.00 -2.27 0.00 0.00 179.45 177.91 1pr6 h ALA 143 N 1.35 1.33 -0.53 5.00 0.00 -1.12 0.04 119.26 125.33 1pr6 h ALA 143 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1pr6 h ALA 143 Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pr6 h ALA 143 CO -0.06 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.61 1pr6 n LEU 144 N -3.70 2.84 -1.48 0.00 4.77 -0.47 -4.91 117.00 114.05 1pr6 n LEU 144 Ca -0.02 -1.42 -0.14 0.00 -0.03 0.00 0.00 56.01 54.40 1pr6 n LEU 144 Cb 0.22 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 1pr6 n LEU 144 CO 0.30 0.71 -0.17 0.61 -1.33 0.00 0.00 177.39 177.51 1pr6 n GLY 145 N 1.34 0.11 3.48 -0.72 0.00 0.00 -5.01 105.19 104.40 1pr6 n GLY 145 Ca 0.18 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1pr6 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pr6 s ILE 146 N -2.66 3.25 -0.25 -0.61 1.01 0.07 -5.00 121.20 117.01 1pr6 s ILE 146 Ca 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 59.87 1pr6 s ILE 146 Cb 0.00 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1pr6 s ILE 146 CO 0.00 0.58 0.32 1.51 0.00 0.00 0.00 174.94 177.35 1pr6 s ASP 147 N -0.50 6.23 -0.00 3.58 -4.77 -1.26 -3.44 116.67 116.50 1pr6 s ASP 147 Ca 0.07 0.26 0.08 0.00 -3.30 0.00 0.00 52.55 49.66 1pr6 s ASP 147 Cb -0.12 -2.19 -0.02 0.00 -1.09 0.00 0.00 42.92 39.50 1pr6 s ASP 147 CO 0.02 -0.11 -0.25 0.00 0.70 0.00 0.00 175.17 175.53 1pr6 s ALA 148 N 1.73 2.07 -0.06 2.11 0.00 -1.26 -4.45 121.76 121.90 1pr6 s ALA 148 Ca 0.13 -1.10 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 1pr6 s ALA 148 Cb -0.15 -0.50 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 1pr6 s ALA 148 CO 0.09 0.50 0.34 1.03 0.00 0.00 0.00 175.76 177.72 1pr6 s ARG 149 N -0.74 3.93 -0.15 0.00 0.52 -0.71 -4.95 118.95 116.85 1pr6 s ARG 149 Ca 0.10 0.24 -0.00 0.00 -0.52 0.00 0.00 55.73 55.55 1pr6 s ARG 149 Cb -0.10 -3.27 -0.01 0.00 0.52 0.00 0.00 34.95 32.09 1pr6 s ARG 149 CO -0.00 0.58 -0.13 0.08 0.02 0.00 0.00 175.30 175.84 1pr6 s VAL 150 N -0.62 2.92 0.00 3.52 1.01 -1.26 -0.07 120.40 125.89 1pr6 s VAL 150 Ca 0.21 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1pr6 s VAL 150 Cb -0.15 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1pr6 s VAL 150 CO 0.09 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1pr6 n GLY 151 N 3.84 1.40 3.85 4.51 0.00 -0.74 -4.94 105.19 113.10 1pr6 n GLY 151 Ca -0.18 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 1pr6 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pr6 s ASN 152 N 2.00 6.71 0.39 1.61 0.01 -1.26 -0.95 114.94 123.46 1pr6 s ASN 152 Ca 0.00 0.87 0.08 0.00 -0.71 0.00 0.00 52.86 53.09 1pr6 s ASN 152 Cb 0.00 -2.21 -0.05 0.00 0.41 0.00 0.00 41.25 39.40 1pr6 s ASN 152 CO 0.00 0.25 0.19 -0.76 -1.51 0.00 0.00 177.10 175.27 1pr6 s LEU 153 N -1.51 3.18 -0.11 0.60 1.43 -0.70 -0.98 118.68 120.59 1pr6 s LEU 153 Ca 0.28 -0.97 -0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1pr6 s LEU 153 Cb -0.15 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.51 1pr6 s LEU 153 CO 0.15 -0.49 -0.07 0.12 0.23 0.00 0.00 176.35 176.29 1pr6 s PHE 154 N -2.54 1.43 -0.49 0.29 5.36 -0.70 -0.44 117.98 120.89 1pr6 s PHE 154 Ca 0.41 -0.70 -0.17 0.00 -0.96 0.00 0.00 56.93 55.51 1pr6 s PHE 154 Cb 0.01 -1.20 0.06 0.00 -0.34 0.00 0.00 43.02 41.56 1pr6 s PHE 154 CO 0.23 -0.50 0.51 -1.12 -1.46 0.00 0.00 175.22 172.88 1pr6 s SER 155 N 1.71 6.19 0.16 6.13 0.01 0.70 -1.64 113.70 126.95 1pr6 s SER 155 Ca 0.05 -1.09 -0.17 0.00 1.31 0.00 0.00 55.95 56.05 1pr6 s SER 155 Cb -0.13 -2.24 -0.07 0.00 0.21 0.00 0.00 66.02 63.79 1pr6 s SER 155 CO -0.08 -0.76 0.61 0.00 0.41 0.00 0.00 173.24 173.42 1pr6 s ALA 156 N 2.15 3.53 -0.00 1.44 0.00 -0.41 -3.29 121.76 125.17 1pr6 s ALA 156 Ca 0.10 -0.01 0.11 0.00 0.00 0.00 0.00 51.96 52.16 1pr6 s ALA 156 Cb -0.21 -2.64 -0.22 0.00 0.00 0.00 0.00 23.12 20.05 1pr6 s ALA 156 CO 0.10 0.41 0.84 -0.44 0.00 0.00 0.00 175.76 176.66 1pr6 h ASP 157 N 3.65 0.00 -3.73 0.00 3.45 -1.89 -3.42 116.42 114.49 1pr6 h ASP 157 Ca -0.48 0.00 -0.68 0.00 0.43 0.00 0.00 57.03 56.30 1pr6 h ASP 157 Cb 1.20 0.00 -0.34 0.00 -0.56 0.00 0.00 39.33 39.63 1pr6 h ASP 157 CO 0.65 0.98 -0.73 -0.76 -1.57 0.00 0.00 179.24 177.81 1pr6 s LEU 158 N -6.25 3.62 0.28 1.55 1.43 -1.26 -4.96 118.68 113.10 1pr6 s LEU 158 Ca -0.03 -1.21 -0.02 0.00 -1.03 0.00 0.00 54.13 51.84 1pr6 s LEU 158 Cb 0.09 -1.66 0.40 0.00 0.03 0.00 0.00 46.19 45.04 1pr6 s LEU 158 CO 0.82 -0.21 1.89 0.15 0.23 0.00 0.00 176.35 179.23 1pr6 h PHE 159 N 7.95 0.98 -3.54 0.29 3.04 -1.98 -3.22 116.94 120.47 1pr6 h PHE 159 Ca -0.23 -0.03 -0.73 0.00 3.98 0.00 0.00 57.97 60.95 1pr6 h PHE 159 Cb 1.07 -0.31 -0.32 0.00 2.56 0.00 0.00 35.95 38.94 1pr6 h PHE 159 CO 0.61 0.71 -0.06 0.71 -2.02 0.00 0.00 178.31 178.25 1pr6 s TYR 160 N -5.59 3.76 0.19 0.41 2.02 -1.26 -5.06 117.35 111.81 1pr6 s TYR 160 Ca -0.11 -2.67 -0.21 0.00 -0.37 0.00 0.00 57.07 53.71 1pr6 s TYR 160 Cb 0.17 -3.43 -0.08 0.00 -0.40 0.00 0.00 41.96 38.21 1pr6 s TYR 160 CO 0.80 -0.85 0.72 -1.54 -1.57 0.00 0.00 175.55 173.11 1pr6 s SER 161 N 0.80 7.15 0.00 2.29 1.04 -1.22 -4.96 113.70 118.81 1pr6 s SER 161 Ca 0.23 1.46 0.30 0.00 0.48 0.00 0.00 55.95 58.42 1pr6 s SER 161 Cb -0.12 -2.43 1.48 0.00 0.10 0.00 0.00 66.02 65.05 1pr6 s SER 161 CO -0.08 0.12 2.01 -0.81 0.98 0.00 0.00 173.24 175.45 1pr6 n PRO 162 N 1.10 0.77 -3.70 4.02 -0.04 -1.26 -4.49 135.00 131.41 1pr6 n PRO 162 Ca -0.04 -0.16 -0.36 0.00 -0.04 0.00 0.00 63.50 62.90 1pr6 n PRO 162 Cb 0.50 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 1pr6 n PRO 162 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1pr6 s ASP 163 N -2.34 5.53 0.48 3.54 2.15 -1.26 -4.90 116.67 119.87 1pr6 s ASP 163 Ca 0.35 -3.31 0.21 0.00 0.43 0.00 0.00 52.55 50.22 1pr6 s ASP 163 Cb 0.21 -1.86 1.21 0.00 -0.30 0.00 0.00 42.92 42.17 1pr6 s ASP 163 CO 0.43 -0.27 2.02 1.23 -0.17 0.00 0.00 175.17 178.42 1pr6 h GLY 164 N 6.46 0.00 1.66 2.66 0.00 -2.03 -2.68 103.07 109.14 1pr6 h GLY 164 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1pr6 h GLY 164 CO 0.77 0.00 0.13 -2.09 0.00 0.00 0.00 176.54 175.35 1pr6 h GLU 165 N 0.00 0.00 0.00 4.80 4.57 -1.98 -2.42 114.58 119.56 1pr6 h GLU 165 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1pr6 h GLU 165 Cb 0.36 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1pr6 h GLU 165 CO 0.02 0.00 -0.11 1.98 -1.18 0.00 0.00 179.01 179.73 1pr6 h MET 166 N 0.00 0.00 -0.07 1.92 4.05 -1.91 -2.47 114.93 116.46 1pr6 h MET 166 Ca 0.06 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.39 1pr6 h MET 166 Cb 0.33 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1pr6 h MET 166 CO -0.00 0.11 -0.41 0.74 0.23 0.00 0.00 176.91 177.57 1pr6 h PHE 167 N 0.00 0.17 -0.41 1.39 -1.00 -1.65 -1.52 116.94 113.92 1pr6 h PHE 167 Ca -0.00 -0.04 -0.08 0.00 2.81 0.00 0.00 57.97 60.66 1pr6 h PHE 167 Cb 0.28 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 1pr6 h PHE 167 CO 0.00 0.54 -0.04 -0.44 -1.61 0.00 0.00 178.31 176.76 1pr6 h ASP 168 N 0.12 0.75 -0.50 2.17 3.32 -1.62 -1.88 116.42 118.78 1pr6 h ASP 168 Ca 0.01 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 1pr6 h ASP 168 Cb 0.79 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1pr6 h ASP 168 CO 0.06 0.90 0.30 0.58 -1.72 0.00 0.00 179.24 179.36 1pr6 h VAL 169 N 0.58 1.15 -0.98 -1.35 2.07 -1.47 -0.63 116.25 115.62 1pr6 h VAL 169 Ca 0.11 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1pr6 h VAL 169 Cb 0.54 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 1pr6 h VAL 169 CO 0.03 0.16 0.65 0.24 0.02 0.00 0.00 177.57 178.66 1pr6 h MET 170 N 0.67 1.26 -0.41 1.57 2.86 -1.10 -1.94 114.93 117.83 1pr6 h MET 170 Ca 0.18 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 1pr6 h MET 170 Cb -0.01 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.35 1pr6 h MET 170 CO -0.03 0.84 -0.09 1.49 1.06 0.00 0.00 176.91 180.18 1pr6 h GLU 171 N 1.30 0.79 -0.81 1.72 4.81 -0.92 -1.06 114.58 120.42 1pr6 h GLU 171 Ca 0.37 -0.30 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1pr6 h GLU 171 Cb -0.10 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1pr6 h GLU 171 CO -0.10 0.91 0.54 -0.22 -0.73 0.00 0.00 179.01 179.41 1pr6 h LYS 172 N 0.61 1.01 -0.60 1.92 3.64 -0.60 -2.31 116.57 120.24 1pr6 h LYS 172 Ca 0.11 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1pr6 h LYS 172 Cb 0.61 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1pr6 h LYS 172 CO 0.04 0.67 0.00 0.66 -2.27 0.00 0.00 179.45 178.54 1pr6 n TYR 173 N -4.44 0.99 -1.44 1.91 4.01 -0.78 -4.94 117.16 112.47 1pr6 n TYR 173 Ca 0.10 -0.39 -0.06 0.00 -0.16 0.00 0.00 57.90 57.39 1pr6 n TYR 173 Cb 0.08 -0.18 -0.02 0.00 -0.31 0.00 0.00 39.34 38.91 1pr6 n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pr6 n GLY 174 N 0.84 0.62 3.71 2.72 0.00 -0.87 -5.00 105.19 107.21 1pr6 n GLY 174 Ca 0.17 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1pr6 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pr6 s ILE 175 N -2.24 2.46 0.05 -0.61 1.09 -0.42 -4.62 121.20 116.92 1pr6 s ILE 175 Ca 0.00 0.24 -0.08 0.00 -1.10 0.00 0.00 60.65 59.71 1pr6 s ILE 175 Cb 0.00 -3.15 -0.30 0.00 -1.06 0.00 0.00 42.46 37.94 1pr6 s ILE 175 CO 0.00 0.01 1.05 -0.07 -0.10 0.00 0.00 174.94 175.83 1pr6 h LEU 176 N 7.34 0.55 -7.18 2.97 3.38 -1.40 -3.41 115.31 117.56 1pr6 h LEU 176 Ca -0.43 -0.61 -0.06 0.00 0.09 0.00 0.00 57.88 56.87 1pr6 h LEU 176 Cb 1.20 -0.18 -0.16 0.00 0.09 0.00 0.00 40.66 41.62 1pr6 h LEU 176 CO 0.94 1.48 0.06 -0.83 0.09 0.00 0.00 178.44 180.18 1pr6 s GLY 177 N -4.70 -0.45 -0.20 0.83 0.00 -1.25 -4.55 107.32 97.00 1pr6 s GLY 177 Ca -0.06 0.59 -0.02 0.00 0.00 0.00 0.00 44.72 45.22 1pr6 s GLY 177 CO 0.90 0.28 -0.09 0.14 0.00 0.00 0.00 173.10 174.33 1pr6 s VAL 178 N -2.60 2.99 0.00 1.40 1.01 0.13 -1.71 120.40 121.61 1pr6 s VAL 178 Ca -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1pr6 s VAL 178 Cb -0.01 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1pr6 s VAL 178 CO -0.03 0.47 0.00 -1.84 0.00 0.00 0.00 175.10 173.70 1pr6 n GLU 179 N 4.60 0.53 -0.55 2.72 -0.00 -0.65 -1.55 120.64 125.74 1pr6 n GLU 179 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.97 1pr6 n GLU 179 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.95 1pr6 n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1pr6 n MET 180 N 0.00 0.00 0.00 3.44 2.81 -1.26 -1.29 117.12 120.82 1pr6 n MET 180 Ca 0.00 -1.01 0.00 0.00 -1.81 0.00 0.00 57.70 54.88 1pr6 n MET 180 Cb 0.00 -0.46 0.00 0.00 -0.71 0.00 0.00 33.22 32.05 1pr6 n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1pr6 n GLU 181 N 0.02 0.06 -0.31 0.03 4.71 -1.26 -2.34 120.64 121.55 1pr6 n GLU 181 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.10 1pr6 n GLU 181 Cb 0.71 -0.53 -0.04 0.00 -1.01 0.00 0.00 31.44 30.57 1pr6 n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pr6 n ALA 182 N -1.35 -0.35 0.27 0.62 0.00 -1.26 -0.13 120.51 118.32 1pr6 n ALA 182 Ca 0.00 0.69 0.11 0.00 0.00 0.00 0.00 53.44 54.24 1pr6 n ALA 182 Cb 0.03 -0.19 0.75 0.00 0.00 0.00 0.00 19.45 20.04 1pr6 n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pr6 h ALA 183 N 0.63 1.79 -0.08 0.00 0.00 -1.84 -0.88 119.26 118.88 1pr6 h ALA 183 Ca 0.18 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1pr6 h ALA 183 Cb 0.37 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1pr6 h ALA 183 CO -0.74 0.01 -0.51 0.78 0.00 0.00 0.00 179.25 178.80 1pr6 h GLY 184 N 0.03 0.53 1.06 0.00 0.00 -0.89 -2.67 103.07 101.13 1pr6 h GLY 184 Ca -0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 47.33 46.46 1pr6 h GLY 184 CO 0.00 0.69 -0.01 -2.22 0.00 0.00 0.00 176.54 175.00 1pr6 h ILE 185 N 0.04 1.27 -0.31 2.60 2.04 -0.89 -2.22 117.51 120.04 1pr6 h ILE 185 Ca -0.04 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.63 1pr6 h ILE 185 Cb 1.17 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1pr6 h ILE 185 CO 0.10 0.41 -0.02 1.88 0.00 0.00 0.00 178.15 180.52 1pr6 h TYR 186 N 0.88 0.50 -0.30 1.37 0.99 -1.24 -0.47 116.97 118.69 1pr6 h TYR 186 Ca 0.16 -0.05 -0.10 0.00 2.00 0.00 0.00 58.73 60.74 1pr6 h TYR 186 Cb 0.56 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 38.14 1pr6 h TYR 186 CO 0.04 0.51 -0.21 0.78 -0.00 0.00 0.00 178.16 179.28 1pr6 h GLY 187 N 0.82 0.74 0.98 3.88 0.00 -1.19 -2.34 103.07 105.96 1pr6 h GLY 187 Ca 0.10 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 1pr6 h GLY 187 CO 0.01 0.63 0.20 -2.08 0.00 0.00 0.00 176.54 175.30 1pr6 h VAL 188 N 0.43 1.23 -0.87 4.60 2.07 -1.08 -0.75 116.25 121.87 1pr6 h VAL 188 Ca 0.06 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.88 1pr6 h VAL 188 Cb 0.75 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1pr6 h VAL 188 CO 0.06 0.28 0.56 0.00 0.02 0.00 0.00 177.57 178.49 1pr6 h ALA 189 N 1.05 1.16 -0.20 1.67 0.00 -1.02 -1.13 119.26 120.79 1pr6 h ALA 189 Ca 0.18 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1pr6 h ALA 189 Cb 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pr6 h ALA 189 CO -0.01 0.40 -0.46 0.00 0.00 0.00 0.00 179.25 179.17 1pr6 h ALA 190 N 1.37 0.32 -0.75 0.00 0.00 -1.21 0.11 119.26 119.10 1pr6 h ALA 190 Ca 0.35 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1pr6 h ALA 190 Cb 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1pr6 h ALA 190 CO -0.12 0.47 0.50 1.49 0.00 0.00 0.00 179.25 181.58 1pr6 h GLU 191 N 0.35 0.97 -0.38 0.00 4.81 -0.69 -3.12 114.58 116.52 1pr6 h GLU 191 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1pr6 h GLU 191 Cb 1.07 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1pr6 h GLU 191 CO 0.10 0.64 0.00 1.19 -0.73 0.00 0.00 179.01 180.22 1pr6 n PHE 192 N -4.57 1.08 -3.17 0.92 3.01 -0.47 -5.01 117.46 109.25 1pr6 n PHE 192 Ca 0.07 -0.74 -0.14 0.00 1.01 0.00 0.00 57.45 57.66 1pr6 n PHE 192 Cb 0.03 -0.27 0.07 0.00 -0.01 0.00 0.00 39.48 39.30 1pr6 n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pr6 n GLY 193 N 0.11 -0.37 1.55 1.37 0.00 -0.66 -4.98 105.19 102.21 1pr6 n GLY 193 Ca 0.21 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 1pr6 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pr6 n ALA 194 N -3.53 0.26 -2.35 4.61 0.00 0.30 -5.04 120.51 114.75 1pr6 n ALA 194 Ca -0.21 -0.96 -0.30 0.00 0.00 0.00 0.00 53.44 51.97 1pr6 n ALA 194 Cb 0.64 0.64 -0.14 0.00 0.00 0.00 0.00 19.45 20.58 1pr6 n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pr6 s LYS 195 N -2.72 1.78 0.07 0.00 1.02 -0.74 -4.53 119.74 114.61 1pr6 s LYS 195 Ca 0.09 -1.13 -0.10 0.00 0.02 0.00 0.00 55.97 54.85 1pr6 s LYS 195 Cb 0.00 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 1pr6 s LYS 195 CO 0.06 0.51 0.21 0.00 -0.92 0.00 0.00 175.35 175.21 1pr6 s ALA 196 N -0.84 -0.35 -0.09 5.17 0.00 -1.26 -1.54 121.76 122.85 1pr6 s ALA 196 Ca 0.12 -0.41 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 1pr6 s ALA 196 Cb -0.10 0.39 0.04 0.00 0.00 0.00 0.00 23.12 23.45 1pr6 s ALA 196 CO 0.03 -0.45 0.42 -1.17 0.00 0.00 0.00 175.76 174.59 1pr6 s LEU 197 N -2.47 0.41 -0.11 0.00 2.96 -0.31 -2.19 118.68 116.97 1pr6 s LEU 197 Ca -0.00 0.56 0.03 0.00 -0.22 0.00 0.00 54.13 54.49 1pr6 s LEU 197 Cb 0.02 1.54 0.01 0.00 0.50 0.00 0.00 46.19 48.25 1pr6 s LEU 197 CO -0.07 -0.32 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.55 1pr6 s THR 198 N -0.54 1.80 -0.07 3.68 2.01 -1.26 -0.66 115.64 120.61 1pr6 s THR 198 Ca -0.07 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.14 1pr6 s THR 198 Cb -0.03 -1.60 -0.00 0.00 0.01 0.00 0.00 72.50 70.87 1pr6 s THR 198 CO 0.03 0.50 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.61 1pr6 s ILE 199 N 0.70 1.86 0.06 1.82 1.01 0.02 -2.06 121.20 124.60 1pr6 s ILE 199 Ca -0.11 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.62 1pr6 s ILE 199 Cb -0.16 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1pr6 s ILE 199 CO 0.02 0.52 -0.06 0.00 0.00 0.00 0.00 174.94 175.42 1pr6 s THR 201 N -2.34 2.85 -0.34 0.00 -4.23 -0.54 -1.03 115.64 110.02 1pr6 s THR 201 Ca -0.02 -0.76 -0.28 0.00 -1.18 0.00 0.00 61.69 59.45 1pr6 s THR 201 Cb -0.03 -2.15 -0.03 0.00 1.34 0.00 0.00 72.50 71.63 1pr6 s THR 201 CO -0.02 0.55 1.95 -0.69 -0.54 0.00 0.00 174.62 175.87 1pr6 s VAL 202 N -0.08 3.32 -0.61 2.29 1.01 0.04 -2.16 120.40 124.21 1pr6 s VAL 202 Ca -0.03 0.31 0.23 0.00 0.00 0.00 0.00 61.98 62.49 1pr6 s VAL 202 Cb -0.14 -3.47 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 1pr6 s VAL 202 CO 0.04 -0.33 1.10 -1.54 0.00 0.00 0.00 175.10 174.37 1pr6 n SER 203 N 11.25 0.63 -3.59 3.32 3.41 -0.35 0.20 113.62 128.50 1pr6 n SER 203 Ca 0.25 -0.11 -0.08 0.00 -0.26 0.00 0.00 58.87 58.67 1pr6 n SER 203 Cb 0.47 0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 65.05 1pr6 n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1pr6 s ASP 204 N -4.03 -0.34 -0.29 4.04 1.47 -1.23 -4.94 116.67 111.35 1pr6 s ASP 204 Ca 0.04 -0.16 0.03 0.00 1.18 0.00 0.00 52.55 53.64 1pr6 s ASP 204 Cb 0.14 0.48 0.07 0.00 -0.34 0.00 0.00 42.92 43.27 1pr6 s ASP 204 CO 0.78 -0.81 -0.05 -2.28 0.68 0.00 0.00 175.17 173.49 1pr6 s HIS 205 N -3.33 3.42 -0.80 2.11 2.46 -1.26 -1.09 115.29 116.78 1pr6 s HIS 205 Ca 0.07 -2.49 -0.20 0.00 0.47 0.00 0.00 55.06 52.91 1pr6 s HIS 205 Cb -0.01 -2.26 -0.18 0.00 -0.13 0.00 0.00 32.58 30.00 1pr6 s HIS 205 CO -0.05 -0.90 1.98 -0.89 -2.47 0.00 0.00 174.74 172.41 1pr6 n ILE 206 N 4.40 0.00 0.00 0.89 2.08 0.79 -4.88 119.36 122.63 1pr6 n ILE 206 Ca -0.09 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 62.96 1pr6 n ILE 206 Cb 0.42 -1.43 0.00 0.00 -0.75 0.00 0.00 39.64 37.88 1pr6 n ILE 206 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 1pr6 n ARG 207 N 7.36 0.00 -2.94 0.38 1.85 -1.26 -4.77 116.66 117.28 1pr6 n ARG 207 Ca 0.37 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 57.14 1pr6 n ARG 207 Cb 0.43 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.81 1pr6 n ARG 207 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1pr6 n GLN 211 N 0.00 0.17 -4.09 2.89 6.02 -1.26 -5.20 117.38 115.92 1pr6 n GLN 211 Ca 0.00 -1.41 -0.08 0.00 -0.01 0.00 0.00 57.00 55.50 1pr6 n GLN 211 Cb 0.00 1.16 -0.10 0.00 1.02 0.00 0.00 30.24 32.31 1pr6 n GLN 211 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1pr6 s THR 212 N -2.57 0.31 0.56 5.09 -4.23 -1.26 -5.15 115.64 108.39 1pr6 s THR 212 Ca 0.17 -1.64 -0.12 0.00 -1.18 0.00 0.00 61.69 58.92 1pr6 s THR 212 Cb 0.01 -1.29 -0.05 0.00 1.34 0.00 0.00 72.50 72.51 1pr6 s THR 212 CO 0.12 -0.86 0.97 0.42 -0.54 0.00 0.00 174.62 174.73 1pr6 s THR 213 N -3.31 4.69 0.49 3.99 -4.23 -1.26 -4.94 115.64 111.07 1pr6 s THR 213 Ca 0.03 0.87 0.22 0.00 -1.18 0.00 0.00 61.69 61.63 1pr6 s THR 213 Cb 0.03 -3.82 0.27 0.00 1.34 0.00 0.00 72.50 70.33 1pr6 s THR 213 CO -0.07 -0.94 2.11 0.00 -0.54 0.00 0.00 174.62 175.18 1pr6 h ALA 214 N 0.20 1.59 0.00 3.99 0.00 -2.01 -1.60 119.26 121.43 1pr6 h ALA 214 Ca -0.45 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.16 1pr6 h ALA 214 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pr6 h ALA 214 CO 0.62 0.11 -0.92 0.00 0.00 0.00 0.00 179.25 179.07 1pr6 h ALA 215 N 1.91 0.42 -0.47 0.00 0.00 -2.00 -3.01 119.26 116.11 1pr6 h ALA 215 Ca -0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 54.91 54.11 1pr6 h ALA 215 Cb 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1pr6 h ALA 215 CO 0.01 0.85 -0.06 0.93 0.00 0.00 0.00 179.25 180.98 1pr6 h GLU 216 N 0.18 0.82 -0.37 0.00 5.08 -1.68 -2.23 114.58 116.39 1pr6 h GLU 216 Ca -0.07 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 57.95 1pr6 h GLU 216 Cb 1.55 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 1pr6 h GLU 216 CO 0.15 0.87 -0.15 0.00 -1.00 0.00 0.00 179.01 178.88 1pr6 h ARG 217 N 0.75 0.67 -0.09 2.33 2.47 -1.42 -1.48 114.38 117.61 1pr6 h ARG 217 Ca 0.13 -0.23 -0.15 0.00 -1.26 0.00 0.00 59.98 58.48 1pr6 h ARG 217 Cb 0.54 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 1pr6 h ARG 217 CO 0.03 0.79 -0.60 1.96 0.56 0.00 0.00 179.97 182.71 1pr6 h GLN 218 N 0.60 0.32 -0.31 0.04 1.08 -1.38 -0.99 115.11 114.47 1pr6 h GLN 218 Ca 0.10 -0.22 -0.04 0.00 -1.45 0.00 0.00 58.65 57.04 1pr6 h GLN 218 Cb 0.60 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1pr6 h GLN 218 CO 0.04 0.82 0.04 1.15 -0.95 0.00 0.00 178.83 179.93 1pr6 h THR 219 N 0.23 1.24 -0.51 -0.54 2.02 -1.09 -0.10 112.91 114.17 1pr6 h THR 219 Ca -0.01 -0.84 -0.08 0.00 0.77 0.00 0.00 66.41 66.25 1pr6 h THR 219 Cb 1.12 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 1pr6 h THR 219 CO 0.10 0.28 0.01 0.74 0.37 0.00 0.00 175.52 177.02 1pr6 h THR 220 N 0.35 1.26 -0.25 3.16 2.02 -1.20 -1.65 112.91 116.60 1pr6 h THR 220 Ca 0.09 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 1pr6 h THR 220 Cb 0.37 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1pr6 h THR 220 CO 0.01 0.38 0.11 0.15 0.37 0.00 0.00 175.52 176.54 1pr6 h PHE 221 N 0.76 0.37 -0.08 3.16 3.04 -1.05 -1.84 116.94 121.29 1pr6 h PHE 221 Ca 0.15 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.05 1pr6 h PHE 221 Cb 0.51 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 1pr6 h PHE 221 CO 0.04 0.36 -0.05 -0.91 -2.02 0.00 0.00 178.31 175.73 1pr6 h ASN 222 N 0.26 0.11 -0.45 0.41 2.35 -0.91 -2.06 115.58 115.29 1pr6 h ASN 222 Ca 0.08 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 1pr6 h ASN 222 Cb 0.14 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1pr6 h ASN 222 CO -0.01 0.19 -0.02 0.44 -1.65 0.00 0.00 177.43 176.38 1pr6 h ASP 223 N 0.12 0.80 -0.70 5.81 3.45 -0.79 -2.25 116.42 122.86 1pr6 h ASP 223 Ca 0.03 -0.32 -0.03 0.00 0.43 0.00 0.00 57.03 57.15 1pr6 h ASP 223 Cb 0.18 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.70 1pr6 h ASP 223 CO 0.01 0.92 0.34 -0.03 -1.57 0.00 0.00 179.24 178.92 1pr6 h MET 224 N 0.66 1.01 -0.48 3.56 4.05 -0.68 -1.77 114.93 121.28 1pr6 h MET 224 Ca 0.13 -0.15 -0.08 0.00 -0.28 0.00 0.00 59.70 59.32 1pr6 h MET 224 Cb 0.52 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 1pr6 h MET 224 CO 0.03 0.79 0.00 0.82 0.23 0.00 0.00 176.91 178.79 1pr6 h ILE 225 N 0.98 1.26 -0.45 1.77 1.08 -1.34 -0.94 117.51 119.87 1pr6 h ILE 225 Ca 0.24 -1.06 0.01 0.00 -0.39 0.00 0.00 64.86 63.66 1pr6 h ILE 225 Cb 0.11 0.99 -0.02 0.00 -3.07 0.00 0.00 36.82 34.83 1pr6 h ILE 225 CO -0.03 0.37 0.29 0.11 -0.69 0.00 0.00 178.15 178.19 1pr6 h LYS 226 N 0.70 0.56 0.02 2.37 1.57 -1.26 0.57 116.57 121.10 1pr6 h LYS 226 Ca 0.14 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1pr6 h LYS 226 Cb 0.50 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1pr6 h LYS 226 CO 0.02 0.37 -0.07 0.82 -0.57 0.00 0.00 179.45 180.03 1pr6 h ILE 227 N 0.58 0.82 -0.13 1.86 2.04 -1.13 0.84 117.51 122.39 1pr6 h ILE 227 Ca 0.17 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.06 1pr6 h ILE 227 Cb -0.04 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1pr6 h ILE 227 CO -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 178.15 178.04 1pr6 h ALA 228 N 0.84 0.06 -0.33 1.87 0.00 -0.84 0.26 119.26 121.11 1pr6 h ALA 228 Ca 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1pr6 h ALA 228 Cb 0.16 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1pr6 h ALA 228 CO -0.06 -0.51 0.17 -0.07 0.00 0.00 0.00 179.25 178.78 1pr6 h LEU 229 N -0.04 0.43 -1.27 0.00 3.38 -0.69 -2.50 115.31 114.62 1pr6 h LEU 229 Ca 0.07 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1pr6 h LEU 229 Cb 0.15 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1pr6 h LEU 229 CO -0.16 0.41 -0.37 -0.33 0.09 0.00 0.00 178.44 178.08 1pr6 h GLU 230 N 0.41 0.00 -0.18 1.13 4.39 -0.72 -2.59 114.58 117.02 1pr6 h GLU 230 Ca 0.12 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 1pr6 h GLU 230 Cb 0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1pr6 h GLU 230 CO -0.02 0.37 -0.16 0.66 -1.16 0.00 0.00 179.01 178.70 1pr6 h SER 231 N 0.00 0.29 -0.27 1.42 4.64 -0.52 -2.13 113.55 116.99 1pr6 h SER 231 Ca -0.00 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 1pr6 h SER 231 Cb 0.65 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1pr6 h SER 231 CO 0.05 0.47 0.06 0.58 -0.87 0.00 0.00 176.83 177.11 1pr6 h VAL 232 N 0.28 1.22 -0.71 0.95 2.07 -1.07 -1.84 116.25 117.15 1pr6 h VAL 232 Ca 0.05 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1pr6 h VAL 232 Cb 0.45 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1pr6 h VAL 232 CO 0.03 0.24 0.34 -0.07 0.02 0.00 0.00 177.57 178.13 1pr6 h LEU 233 N 0.26 0.93 -1.05 2.57 3.38 -1.41 -1.72 115.31 118.28 1pr6 h LEU 233 Ca 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1pr6 h LEU 233 Cb 0.31 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1pr6 h LEU 233 CO 0.00 0.81 0.45 -0.07 0.09 0.00 0.00 178.44 179.71 1pr6 h LEU 234 N 0.99 0.99 -1.84 1.67 3.38 -1.29 -1.51 115.31 117.71 1pr6 h LEU 234 Ca 0.24 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1pr6 h LEU 234 Cb 0.12 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1pr6 h LEU 234 CO -0.03 0.79 -0.14 1.23 0.09 0.00 0.00 178.44 180.38 1pr6 h GLY 235 N 1.15 0.00 2.00 0.83 0.00 -0.54 -1.63 103.07 104.87 1pr6 h GLY 235 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1pr6 h GLY 235 CO -0.05 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.71 1pr6 n ASP 236 N -3.91 0.72 -0.36 0.19 10.43 -0.58 -5.10 116.55 117.95 1pr6 n ASP 236 Ca -0.02 0.62 0.15 0.00 2.57 0.00 0.00 54.79 58.10 1pr6 n ASP 236 Cb 0.23 -0.79 0.64 0.00 1.84 0.00 0.00 41.12 43.04 1pr6 n ASP 236 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42