#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 1.75 0.51 0.00 -4.23 0.16 -4.97 115.64 108.85 1pr6 s THR 2 Ca 0.00 -1.81 0.27 0.00 -1.18 0.00 0.00 61.69 58.96 1pr6 s THR 2 Cb 0.00 -2.57 0.44 0.00 1.34 0.00 0.00 72.50 71.71 1pr6 s THR 2 CO 0.00 0.00 1.91 -0.65 -0.54 0.00 0.00 174.62 175.34 1pr6 h PRO 3 N 1.34 0.10 0.00 3.99 0.11 -2.02 -2.96 132.00 132.56 1pr6 h PRO 3 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1pr6 h PRO 3 Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1pr6 h PRO 3 CO 0.71 0.06 0.00 0.72 -0.21 0.00 0.00 178.00 179.28 1pr6 n HIS 4 N -4.35 0.00 -3.75 0.65 8.25 -1.26 -4.97 115.22 109.78 1pr6 n HIS 4 Ca 0.16 -0.06 -0.25 0.00 -0.26 0.00 0.00 57.72 57.31 1pr6 n HIS 4 Cb 0.80 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.73 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 -0.12 0.44 -1.16 1.59 1.01 -1.12 -4.67 121.20 117.18 1pr6 s ILE 5 Ca 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.34 1pr6 s ILE 5 Cb 0.00 -0.78 0.24 0.00 0.01 0.00 0.00 42.46 41.93 1pr6 s ILE 5 CO 0.00 0.02 1.42 -3.20 0.00 0.00 0.00 174.94 173.18 1pr6 n ASN 6 N 5.10 5.60 -2.98 3.58 5.15 -1.26 -0.67 115.26 129.79 1pr6 n ASN 6 Ca -0.08 -3.13 -0.15 0.00 -0.60 0.00 0.00 54.58 50.62 1pr6 n ASN 6 Cb 0.49 -1.42 -0.04 0.00 -0.53 0.00 0.00 39.78 38.28 1pr6 n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pr6 n ALA 7 N 3.28 -0.09 -2.36 5.20 0.00 -1.26 -4.71 120.51 120.56 1pr6 n ALA 7 Ca 0.30 -1.64 -0.17 0.00 0.00 0.00 0.00 53.44 51.94 1pr6 n ALA 7 Cb 0.38 1.32 -0.10 0.00 0.00 0.00 0.00 19.45 21.05 1pr6 n ALA 7 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1pr6 s GLU 8 N -2.89 1.13 0.08 0.00 0.41 -1.26 -2.41 118.70 113.76 1pr6 s GLU 8 Ca 0.30 -1.42 -0.36 0.00 -0.41 0.00 0.00 54.97 53.08 1pr6 s GLU 8 Cb -0.00 -0.87 -0.16 0.00 -1.78 0.00 0.00 34.13 31.31 1pr6 s GLU 8 CO 0.22 0.14 1.40 -0.12 -0.49 0.00 0.00 175.26 176.41 1pr6 n MET 9 N -0.01 1.31 0.00 1.61 0.00 -1.26 -1.14 117.12 117.63 1pr6 n MET 9 Ca -0.11 0.47 0.00 0.00 -0.00 0.00 0.00 57.70 58.06 1pr6 n MET 9 Cb 0.59 -2.14 0.00 0.00 0.00 0.00 0.00 33.22 31.67 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 2.75 2.26 0.25 -5.12 0.00 -1.26 -4.92 105.19 99.14 1pr6 n GLY 10 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 0.56 0.00 -2.85 1.61 3.32 -1.50 -3.43 116.42 114.13 1pr6 h ASP 11 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1pr6 h ASP 11 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 1pr6 h ASP 11 CO 0.00 0.13 -0.62 -0.36 -1.72 0.00 0.00 179.24 176.67 1pr6 s PHE 12 N -4.52 2.99 0.77 4.55 0.40 -1.26 -4.75 117.98 116.16 1pr6 s PHE 12 Ca -0.04 -0.07 -0.10 0.00 -0.60 0.00 0.00 56.93 56.12 1pr6 s PHE 12 Cb 0.15 -1.45 0.07 0.00 0.51 0.00 0.00 43.02 42.30 1pr6 s PHE 12 CO 0.64 0.52 1.12 0.00 0.70 0.00 0.00 175.22 178.20 1pr6 s ALA 13 N -1.70 2.84 -2.00 5.36 0.00 -1.26 -4.95 121.76 120.05 1pr6 s ALA 13 Ca 0.29 -0.77 0.14 0.00 0.00 0.00 0.00 51.96 51.62 1pr6 s ALA 13 Cb -0.10 -2.82 0.81 0.00 0.00 0.00 0.00 23.12 21.01 1pr6 s ALA 13 CO 0.21 -1.54 1.52 -0.40 0.00 0.00 0.00 175.76 175.54 1pr6 n ASP 14 N -3.17 0.04 -3.83 0.00 3.85 -1.26 -4.63 116.55 107.55 1pr6 n ASP 14 Ca 0.08 -1.58 -0.19 0.00 -0.71 0.00 0.00 54.79 52.39 1pr6 n ASP 14 Cb 0.61 -0.00 -0.16 0.00 -1.35 0.00 0.00 41.12 40.21 1pr6 n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1pr6 s VAL 15 N -1.99 0.29 -0.08 2.12 1.01 -1.26 -0.93 120.40 119.56 1pr6 s VAL 15 Ca 0.21 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1pr6 s VAL 15 Cb 0.09 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 36.10 1pr6 s VAL 15 CO 0.16 0.18 -0.14 -0.69 0.00 0.00 0.00 175.10 174.62 1pr6 s VAL 16 N 1.17 1.29 -0.01 2.92 1.01 -0.45 -2.87 120.40 123.45 1pr6 s VAL 16 Ca -0.08 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 1pr6 s VAL 16 Cb -0.14 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1pr6 s VAL 16 CO -0.02 0.39 0.48 -0.76 0.00 0.00 0.00 175.10 175.19 1pr6 s LEU 17 N 0.72 4.43 -0.23 3.92 1.02 -0.43 -1.17 118.68 126.93 1pr6 s LEU 17 Ca -0.13 1.01 -0.02 0.00 0.02 0.00 0.00 54.13 55.01 1pr6 s LEU 17 Cb -0.16 -2.72 0.07 0.00 0.02 0.00 0.00 46.19 43.41 1pr6 s LEU 17 CO 0.03 0.21 0.06 -0.04 0.02 0.00 0.00 176.35 176.63 1pr6 s MET 18 N -0.55 0.65 0.67 1.70 -1.94 0.32 -1.38 119.30 118.76 1pr6 s MET 18 Ca 0.26 -0.60 -0.04 0.00 -1.71 0.00 0.00 55.69 53.60 1pr6 s MET 18 Cb -0.17 -2.01 0.07 0.00 2.01 0.00 0.00 34.83 34.72 1pr6 s MET 18 CO 0.14 -0.76 0.95 -1.25 -0.01 0.00 0.00 175.02 174.09 1pr6 s PRO 19 N 1.81 2.18 0.05 2.03 0.04 -1.25 -1.85 135.00 138.03 1pr6 s PRO 19 Ca 0.02 -0.53 -0.03 0.00 0.04 0.00 0.00 61.00 60.50 1pr6 s PRO 19 Cb -0.17 -2.28 -0.28 0.00 0.04 0.00 0.00 34.50 31.81 1pr6 s PRO 19 CO -0.15 -1.14 1.06 0.78 0.04 0.00 0.00 177.00 177.59 1pr6 h GLY 20 N -0.42 0.29 -5.97 0.56 0.00 -1.85 -1.70 103.07 93.98 1pr6 h GLY 20 Ca -0.43 -0.73 -0.60 0.00 0.00 0.00 0.00 47.33 45.57 1pr6 h GLY 20 CO 0.54 0.64 0.32 -0.35 0.00 0.00 0.00 176.54 177.70 1pr6 s ASP 21 N -7.07 6.75 0.46 0.19 2.15 -1.26 -1.91 116.67 115.97 1pr6 s ASP 21 Ca -0.05 0.92 0.13 0.00 0.43 0.00 0.00 52.55 53.98 1pr6 s ASP 21 Cb 0.07 -2.40 1.06 0.00 -0.30 0.00 0.00 42.92 41.36 1pr6 s ASP 21 CO 0.87 -0.43 2.07 1.55 -0.17 0.00 0.00 175.17 179.06 1pr6 h PRO 22 N 7.69 0.30 0.00 4.34 0.13 -1.88 0.11 132.00 142.69 1pr6 h PRO 22 Ca -0.26 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1pr6 h PRO 22 Cb 1.11 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 1pr6 h PRO 22 CO 0.83 0.20 -0.05 -0.07 -0.23 0.00 0.00 178.00 178.68 1pr6 h LEU 23 N 0.31 0.00 -0.04 1.56 3.38 -1.93 -2.23 115.31 116.36 1pr6 h LEU 23 Ca 0.14 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.88 1pr6 h LEU 23 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1pr6 h LEU 23 CO -0.03 0.05 -1.06 -0.09 0.09 0.00 0.00 178.44 177.40 1pr6 h ARG 24 N 0.00 0.18 -0.67 1.13 9.65 -1.21 -2.42 114.38 121.05 1pr6 h ARG 24 Ca -0.00 -0.26 -0.07 0.00 -1.10 0.00 0.00 59.98 58.54 1pr6 h ARG 24 Cb 0.59 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.23 1pr6 h ARG 24 CO 0.01 1.08 0.13 0.00 2.80 0.00 0.00 179.97 183.98 1pr6 h ALA 25 N 0.82 0.88 -0.40 2.80 0.00 -0.89 -0.65 119.26 121.83 1pr6 h ALA 25 Ca -0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1pr6 h ALA 25 Cb 1.77 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1pr6 h ALA 25 CO 0.16 0.64 -0.20 -0.22 0.00 0.00 0.00 179.25 179.63 1pr6 h LYS 26 N 1.02 0.77 -0.81 0.00 3.64 -1.48 -1.74 116.57 117.97 1pr6 h LYS 26 Ca 0.21 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1pr6 h LYS 26 Cb 0.42 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 1pr6 h LYS 26 CO 0.01 0.91 0.35 -0.92 -2.27 0.00 0.00 179.45 177.53 1pr6 h TYR 27 N 0.68 1.22 -0.32 1.91 5.03 -1.00 -1.67 116.97 122.82 1pr6 h TYR 27 Ca 0.10 -0.08 -0.10 0.00 2.58 0.00 0.00 58.73 61.23 1pr6 h TYR 27 Cb 0.70 -0.37 -0.01 0.00 1.55 0.00 0.00 36.73 38.60 1pr6 h TYR 27 CO 0.04 0.90 -0.19 0.82 -1.32 0.00 0.00 178.16 178.41 1pr6 h ILE 28 N 1.18 1.29 -0.40 1.81 2.04 -0.89 -1.84 117.51 120.70 1pr6 h ILE 28 Ca 0.27 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1pr6 h ILE 28 Cb 0.18 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1pr6 h ILE 28 CO -0.03 0.43 0.16 0.00 0.00 0.00 0.00 178.15 178.71 1pr6 h ALA 29 N 0.76 0.52 -0.12 1.87 0.00 -1.14 -0.23 119.26 120.91 1pr6 h ALA 29 Ca 0.07 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1pr6 h ALA 29 Cb 0.74 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1pr6 h ALA 29 CO 0.05 0.13 -0.52 0.93 0.00 0.00 0.00 179.25 179.84 1pr6 h GLU 30 N 0.50 0.33 0.24 0.00 5.08 -1.32 -2.12 114.58 117.29 1pr6 h GLU 30 Ca 0.13 -0.20 -0.33 0.00 -1.00 0.00 0.00 59.36 57.96 1pr6 h GLU 30 Cb 0.20 0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.50 1pr6 h GLU 30 CO -0.01 0.78 -1.51 1.15 -1.00 0.00 0.00 179.01 178.42 1pr6 h THR 31 N 0.26 1.23 0.00 1.13 2.02 -1.21 -3.42 112.91 112.92 1pr6 h THR 31 Ca 0.01 -2.65 0.00 0.00 0.77 0.00 0.00 66.41 64.53 1pr6 h THR 31 Cb 1.01 3.00 0.00 0.00 -1.74 0.00 0.00 68.15 70.42 1pr6 h THR 31 CO 0.09 0.81 -1.15 0.49 0.37 0.00 0.00 175.52 176.13 1pr6 n PHE 32 N -3.72 0.00 -4.03 3.16 3.01 -0.11 -5.04 117.46 110.72 1pr6 n PHE 32 Ca -0.18 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.95 1pr6 n PHE 32 Cb 1.09 -0.14 -0.06 0.00 -0.01 0.00 0.00 39.48 40.35 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 -3.30 4.01 -0.07 4.37 1.43 -0.80 -4.75 118.68 119.58 1pr6 s LEU 33 Ca -0.02 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 1pr6 s LEU 33 Cb 0.05 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1pr6 s LEU 33 CO 0.34 0.24 0.11 -1.61 0.23 0.00 0.00 176.35 175.65 1pr6 s GLU 34 N -2.01 3.28 -1.29 1.70 0.41 -0.16 -4.54 118.70 116.10 1pr6 s GLU 34 Ca 0.27 -0.28 -0.02 0.00 -0.41 0.00 0.00 54.97 54.53 1pr6 s GLU 34 Cb -0.12 -3.03 -0.00 0.00 -1.78 0.00 0.00 34.13 29.19 1pr6 s GLU 34 CO 0.18 0.72 0.70 -0.25 -0.49 0.00 0.00 175.26 176.12 1pr6 n ASP 35 N 1.71 -1.67 -4.81 -0.19 8.00 -1.26 -1.88 116.55 116.45 1pr6 n ASP 35 Ca -0.17 -0.84 -0.38 0.00 0.71 0.00 0.00 54.79 54.11 1pr6 n ASP 35 Cb 0.54 -3.99 -0.06 0.00 -0.02 0.00 0.00 41.12 37.59 1pr6 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pr6 s ALA 36 N -3.66 3.53 0.02 2.24 0.00 -1.26 -4.49 121.76 118.14 1pr6 s ALA 36 Ca 0.06 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.17 1pr6 s ALA 36 Cb -0.02 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 1pr6 s ALA 36 CO 0.82 0.37 -0.11 -0.98 0.00 0.00 0.00 175.76 175.86 1pr6 s ARG 37 N -1.34 0.80 0.07 0.00 1.70 -0.12 -4.94 118.95 115.12 1pr6 s ARG 37 Ca 0.34 -0.55 -0.31 0.00 -0.47 0.00 0.00 55.73 54.74 1pr6 s ARG 37 Cb -0.19 -0.77 -0.06 0.00 -0.57 0.00 0.00 34.95 33.36 1pr6 s ARG 37 CO 0.21 0.20 1.21 -2.00 -1.08 0.00 0.00 175.30 173.83 1pr6 s GLU 38 N -0.74 4.43 0.00 3.89 2.12 -1.26 -1.61 118.70 125.52 1pr6 s GLU 38 Ca 0.01 1.79 0.04 0.00 0.36 0.00 0.00 54.97 57.17 1pr6 s GLU 38 Cb -0.06 -3.34 0.06 0.00 0.26 0.00 0.00 34.13 31.05 1pr6 s GLU 38 CO 0.00 -0.26 0.79 1.33 -0.54 0.00 0.00 175.26 176.58 1pr6 n VAL 39 N 3.91 0.33 -3.60 3.70 0.24 -0.10 -4.96 118.33 117.85 1pr6 n VAL 39 Ca 0.09 -0.66 -0.11 0.00 -2.04 0.00 0.00 64.34 61.61 1pr6 n VAL 39 Cb 0.46 0.90 -0.06 0.00 -1.47 0.00 0.00 33.84 33.67 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 -0.58 -0.47 0.00 -1.34 3.04 -1.22 -4.40 114.94 109.96 1pr6 s ASN 40 Ca 0.07 0.70 0.00 0.00 0.04 0.00 0.00 52.86 53.67 1pr6 s ASN 40 Cb 0.04 0.64 0.00 0.00 -1.54 0.00 0.00 41.25 40.39 1pr6 s ASN 40 CO 0.06 -0.30 0.21 -0.46 -3.04 0.00 0.00 177.10 173.57 1pr6 n ASN 41 N 1.45 0.00 -4.67 -4.21 0.23 -1.26 -2.59 115.26 104.21 1pr6 n ASN 41 Ca -0.13 -1.00 -0.45 0.00 -0.53 0.00 0.00 54.58 52.47 1pr6 n ASN 41 Cb 0.57 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.23 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 0.18 -1.36 3.53 0.31 -1.26 -0.63 118.33 119.10 1pr6 n VAL 42 Ca 0.00 -0.05 -0.13 0.00 -0.01 0.00 0.00 64.34 64.15 1pr6 n VAL 42 Cb 0.42 -1.56 -0.06 0.00 -0.91 0.00 0.00 33.84 31.74 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 3.18 -1.59 -1.00 5.55 1.74 -1.26 -1.71 116.66 121.57 1pr6 n ARG 43 Ca 0.16 0.92 -0.00 0.00 -0.77 0.00 0.00 57.85 58.15 1pr6 n ARG 43 Cb 0.30 -5.25 -0.00 0.00 -1.02 0.00 0.00 32.46 26.49 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 0.02 0.42 3.41 -0.13 0.00 0.20 -4.96 105.19 104.15 1pr6 n GLY 44 Ca -0.13 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.34 3.34 -1.67 1.61 0.00 -0.69 -4.83 117.12 112.54 1pr6 n MET 45 Ca -0.00 -3.65 -0.45 0.00 0.00 0.00 0.00 57.70 53.59 1pr6 n MET 45 Cb 0.09 -3.14 -0.03 0.00 0.00 0.00 0.00 33.22 30.14 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 6.07 3.11 -4.05 -0.89 4.77 -1.26 -4.40 117.00 120.35 1pr6 n LEU 46 Ca 0.40 1.13 -0.16 0.00 -0.03 0.00 0.00 56.01 57.36 1pr6 n LEU 46 Cb 0.43 -1.43 -0.13 0.00 -2.33 0.00 0.00 43.42 39.96 1pr6 n LEU 46 CO 0.68 -0.46 -0.42 -0.83 -1.33 0.00 0.00 177.39 175.04 1pr6 s GLY 47 N 0.38 0.51 0.07 -0.72 0.00 -1.07 -2.67 107.32 103.82 1pr6 s GLY 47 Ca 0.70 -0.62 -0.00 0.00 0.00 0.00 0.00 44.72 44.79 1pr6 s GLY 47 CO 0.48 -0.63 -0.03 -1.36 0.00 0.00 0.00 173.10 171.57 1pr6 s PHE 48 N -0.86 0.64 -0.02 1.90 0.08 0.64 -0.93 117.98 119.43 1pr6 s PHE 48 Ca -0.03 -1.06 -0.01 0.00 0.12 0.00 0.00 56.93 55.95 1pr6 s PHE 48 Cb -0.07 -0.43 0.02 0.00 -0.57 0.00 0.00 43.02 41.97 1pr6 s PHE 48 CO 0.00 -0.35 0.04 0.99 -0.10 0.00 0.00 175.22 175.80 1pr6 s THR 49 N -3.88 -0.03 0.00 0.64 2.01 -0.63 -1.26 115.64 112.48 1pr6 s THR 49 Ca 0.10 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1pr6 s THR 49 Cb 0.07 -0.09 0.00 0.00 0.01 0.00 0.00 72.50 72.50 1pr6 s THR 49 CO -0.07 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.51 1pr6 n GLY 50 N 3.69 3.06 3.11 4.40 0.00 -0.37 -0.94 105.19 118.14 1pr6 n GLY 50 Ca -0.21 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.76 0.76 -0.19 2.61 -4.23 -0.79 -0.67 115.64 111.37 1pr6 s THR 51 Ca 0.00 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1pr6 s THR 51 Cb 0.00 -0.91 0.04 0.00 1.34 0.00 0.00 72.50 72.97 1pr6 s THR 51 CO 0.00 -0.40 -0.08 -0.47 -0.54 0.00 0.00 174.62 173.13 1pr6 s TYR 52 N -1.67 2.16 -1.56 3.99 6.14 0.63 -0.98 117.35 126.06 1pr6 s TYR 52 Ca -0.04 -1.44 -0.12 0.00 0.64 0.00 0.00 57.07 56.11 1pr6 s TYR 52 Cb -0.08 -1.52 0.09 0.00 0.42 0.00 0.00 41.96 40.88 1pr6 s TYR 52 CO 0.00 -0.70 0.78 1.63 0.64 0.00 0.00 175.55 177.90 1pr6 n LYS 53 N 4.75 -4.16 0.00 4.97 5.02 -1.26 -0.75 118.16 126.73 1pr6 n LYS 53 Ca -0.13 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1pr6 n LYS 53 Cb 0.47 -5.13 0.00 0.00 -0.02 0.00 0.00 35.03 30.35 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 -1.63 2.26 3.72 0.72 0.00 -1.26 -5.03 105.19 103.97 1pr6 n GLY 54 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.26 4.36 0.06 1.61 3.00 0.07 -5.02 118.95 122.77 1pr6 s ARG 55 Ca 0.00 0.55 -0.31 0.00 -1.00 0.00 0.00 55.73 54.98 1pr6 s ARG 55 Cb 0.00 -3.44 -0.07 0.00 0.00 0.00 0.00 34.95 31.45 1pr6 s ARG 55 CO 0.00 0.14 1.38 0.21 0.00 0.00 0.00 175.30 177.04 1pr6 s LYS 56 N 0.64 4.31 -0.02 5.12 2.20 -1.26 -0.27 119.74 130.45 1pr6 s LYS 56 Ca 0.29 2.01 -0.07 0.00 -0.36 0.00 0.00 55.97 57.83 1pr6 s LYS 56 Cb -0.16 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 32.77 1pr6 s LYS 56 CO 0.12 -0.48 0.16 0.42 -0.36 0.00 0.00 175.35 175.21 1pr6 s ILE 57 N 1.68 0.05 0.27 5.43 1.01 0.16 -4.75 121.20 125.05 1pr6 s ILE 57 Ca 0.64 -0.44 0.12 0.00 0.00 0.00 0.00 60.65 60.96 1pr6 s ILE 57 Cb -0.34 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 1pr6 s ILE 57 CO 0.29 -0.24 -0.20 -0.44 0.00 0.00 0.00 174.94 174.34 1pr6 s SER 58 N -0.87 3.52 -0.12 3.58 0.01 -1.14 -1.24 113.70 117.44 1pr6 s SER 58 Ca -0.10 -1.01 -0.06 0.00 1.31 0.00 0.00 55.95 56.10 1pr6 s SER 58 Cb -0.05 -0.29 0.05 0.00 0.21 0.00 0.00 66.02 65.94 1pr6 s SER 58 CO 0.01 0.04 0.27 0.54 0.41 0.00 0.00 173.24 174.51 1pr6 s VAL 59 N -2.43 -0.10 -0.11 3.43 0.11 -0.39 -1.32 120.40 119.59 1pr6 s VAL 59 Ca 0.28 0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 59.38 1pr6 s VAL 59 Cb -0.05 -0.42 0.03 0.00 -1.53 0.00 0.00 36.38 34.41 1pr6 s VAL 59 CO 0.14 0.07 0.32 -0.32 -3.33 0.00 0.00 175.10 171.98 1pr6 s MET 60 N 1.47 0.39 0.68 1.54 0.00 -0.48 -0.26 119.30 122.65 1pr6 s MET 60 Ca -0.08 0.40 -0.14 0.00 0.00 0.00 0.00 55.69 55.87 1pr6 s MET 60 Cb -0.10 0.19 0.01 0.00 0.00 0.00 0.00 34.83 34.93 1pr6 s MET 60 CO -0.09 -0.05 1.11 0.20 0.00 0.00 0.00 175.02 176.18 1pr6 s GLY 61 N 0.06 2.06 0.00 2.11 0.00 -1.09 -3.76 107.32 106.70 1pr6 s GLY 61 Ca -0.01 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.20 1pr6 s GLY 61 CO 0.01 0.85 0.67 -2.39 0.00 0.00 0.00 173.10 172.24 1pr6 n HIS 62 N -2.66 0.00 -0.37 1.90 1.44 -0.64 -4.90 115.22 110.00 1pr6 n HIS 62 Ca 0.10 -0.21 0.05 0.00 -2.01 0.00 0.00 57.72 55.65 1pr6 n HIS 62 Cb 0.52 -0.02 -0.01 0.00 0.12 0.00 0.00 29.99 30.60 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 -0.21 -1.51 3.71 -1.39 0.00 -0.81 -3.06 105.19 101.92 1pr6 n GLY 63 Ca 0.00 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.42 4.08 0.00 1.61 1.00 -1.26 -4.68 119.30 118.62 1pr6 s MET 64 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 55.69 55.43 1pr6 s MET 64 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 34.83 31.49 1pr6 s MET 64 CO 0.00 0.32 0.00 0.41 0.00 0.00 0.00 175.02 175.75 1pr6 n GLY 65 N 3.44 2.44 0.18 -0.03 0.00 -1.24 -4.55 105.19 105.42 1pr6 n GLY 65 Ca -0.16 -1.84 -0.07 0.00 0.00 0.00 0.00 46.02 43.95 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 1.07 -0.88 -0.61 2.04 -1.80 -2.16 117.51 115.18 1pr6 h ILE 66 Ca 0.00 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.72 1pr6 h ILE 66 Cb 0.00 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 1pr6 h ILE 66 CO 0.00 0.10 0.57 -0.65 0.00 0.00 0.00 178.15 178.17 1pr6 h PRO 67 N 0.53 1.02 0.28 2.37 0.11 -1.91 -1.28 132.00 133.12 1pr6 h PRO 67 Ca 0.16 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1pr6 h PRO 67 Cb -0.02 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 30.86 1pr6 h PRO 67 CO -0.06 0.67 -0.14 1.03 -0.21 0.00 0.00 178.00 179.30 1pr6 h SER 68 N 1.05 -0.32 0.72 -2.05 0.87 -1.74 -3.17 113.55 108.92 1pr6 h SER 68 Ca 0.36 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1pr6 h SER 68 Cb 0.09 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1pr6 h SER 68 CO -0.12 0.12 -0.04 0.00 -0.53 0.00 0.00 176.83 176.26 1pr6 h SER 70 N 0.00 0.83 0.36 0.00 0.02 -1.26 -1.84 113.55 111.65 1pr6 h SER 70 Ca -0.00 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 1pr6 h SER 70 Cb 0.41 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1pr6 h SER 70 CO 0.00 1.06 -0.17 0.40 -1.14 0.00 0.00 176.83 176.98 1pr6 h ILE 71 N 0.69 0.66 -0.13 3.27 2.04 -1.46 -2.40 117.51 120.18 1pr6 h ILE 71 Ca 0.08 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1pr6 h ILE 71 Cb 0.81 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1pr6 h ILE 71 CO 0.07 0.05 0.05 1.88 0.00 0.00 0.00 178.15 180.21 1pr6 h TYR 72 N -0.63 0.20 -0.72 1.37 0.05 -1.56 -2.25 116.97 113.44 1pr6 h TYR 72 Ca -0.05 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 1pr6 h TYR 72 Cb 0.46 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 1pr6 h TYR 72 CO -0.02 0.28 0.35 1.79 -1.05 0.00 0.00 178.16 179.52 1pr6 h THR 73 N 0.06 1.22 0.08 -2.88 1.35 -1.42 -1.47 112.91 109.86 1pr6 h THR 73 Ca 0.04 -0.62 -0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1pr6 h THR 73 Cb 0.17 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 66.89 1pr6 h THR 73 CO -0.00 0.26 -0.04 0.50 -0.25 0.00 0.00 175.52 175.99 1pr6 h LYS 74 N 1.01 -0.10 -0.74 4.72 3.11 -1.33 -2.01 116.57 121.24 1pr6 h LYS 74 Ca 0.25 0.01 0.01 0.00 -2.81 0.00 0.00 60.65 58.10 1pr6 h LYS 74 Cb 0.09 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.30 1pr6 h LYS 74 CO -0.03 -0.00 0.49 0.93 -2.81 0.00 0.00 179.45 178.02 1pr6 h GLU 75 N -0.17 0.97 -0.56 1.90 5.08 -1.16 -0.97 114.58 119.67 1pr6 h GLU 75 Ca -0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1pr6 h GLU 75 Cb 0.14 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1pr6 h GLU 75 CO 0.02 0.64 0.37 -0.07 -1.00 0.00 0.00 179.01 178.96 1pr6 h LEU 76 N 0.99 0.64 -0.15 1.33 3.38 -1.13 0.50 115.31 120.87 1pr6 h LEU 76 Ca 0.27 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 1pr6 h LEU 76 Cb -0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1pr6 h LEU 76 CO -0.06 0.47 -0.07 0.40 0.09 0.00 0.00 178.44 179.27 1pr6 h ILE 77 N 0.76 1.31 0.00 1.22 2.04 -1.06 -2.09 117.51 119.69 1pr6 h ILE 77 Ca 0.20 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 1pr6 h ILE 77 Cb -0.08 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1pr6 h ILE 77 CO -0.04 0.33 -0.69 0.71 0.00 0.00 0.00 178.15 178.45 1pr6 h THR 78 N -0.02 0.14 0.00 -0.27 1.35 -1.14 -3.36 112.91 109.61 1pr6 h THR 78 Ca 0.03 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 1pr6 h THR 78 Cb 0.54 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1pr6 h THR 78 CO 0.02 0.08 -0.11 0.47 -0.25 0.00 0.00 175.52 175.73 1pr6 n ASP 79 N -2.89 0.50 -0.03 5.36 9.92 0.16 -4.77 116.55 124.80 1pr6 n ASP 79 Ca 0.00 -0.46 0.02 0.00 -0.53 0.00 0.00 54.79 53.83 1pr6 n ASP 79 Cb 0.60 1.00 0.03 0.00 -0.64 0.00 0.00 41.12 42.10 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 -1.06 0.00 -1.24 1.24 3.01 -0.82 -4.62 117.46 113.99 1pr6 n PHE 80 Ca 0.00 -0.52 -0.08 0.00 1.01 0.00 0.00 57.45 57.86 1pr6 n PHE 80 Cb 0.00 -0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 39.38 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 -0.60 0.95 3.72 1.37 0.00 -1.17 -4.62 105.19 104.84 1pr6 n GLY 81 Ca 0.03 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.09 3.25 -0.15 1.61 1.01 -1.02 -4.75 120.40 118.27 1pr6 s VAL 82 Ca 0.00 0.91 0.17 0.00 0.00 0.00 0.00 61.98 63.06 1pr6 s VAL 82 Cb 0.00 -3.59 -0.24 0.00 0.00 0.00 0.00 36.38 32.56 1pr6 s VAL 82 CO 0.00 0.08 0.14 0.29 0.00 0.00 0.00 175.10 175.61 1pr6 n LYS 83 N 3.79 0.97 -4.26 2.72 4.01 -0.10 -4.47 118.16 120.82 1pr6 n LYS 83 Ca 0.11 -0.04 -0.18 0.00 -0.51 0.00 0.00 58.31 57.68 1pr6 n LYS 83 Cb 0.42 -1.46 -0.15 0.00 -0.51 0.00 0.00 35.03 33.33 1pr6 n LYS 83 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1pr6 s LYS 84 N -2.62 0.68 -0.10 1.97 1.02 -0.80 -1.97 119.74 117.91 1pr6 s LYS 84 Ca -0.08 -0.23 0.03 0.00 0.02 0.00 0.00 55.97 55.70 1pr6 s LYS 84 Cb 0.07 -0.66 0.01 0.00 -0.52 0.00 0.00 37.83 36.73 1pr6 s LYS 84 CO 0.75 0.10 -0.19 0.42 -0.92 0.00 0.00 175.35 175.51 1pr6 s ILE 85 N 0.10 1.69 -0.27 2.17 1.09 -0.47 -1.34 121.20 124.18 1pr6 s ILE 85 Ca -0.01 -0.79 0.02 0.00 -1.10 0.00 0.00 60.65 58.77 1pr6 s ILE 85 Cb -0.06 -1.50 0.07 0.00 -1.06 0.00 0.00 42.46 39.91 1pr6 s ILE 85 CO -0.00 0.48 -0.04 -0.63 -0.10 0.00 0.00 174.94 174.64 1pr6 s ILE 86 N 0.65 1.89 0.10 2.92 1.01 -0.32 -1.25 121.20 126.21 1pr6 s ILE 86 Ca -0.13 -1.63 -0.30 0.00 0.00 0.00 0.00 60.65 58.59 1pr6 s ILE 86 Cb -0.16 -2.16 -0.06 0.00 0.01 0.00 0.00 42.46 40.09 1pr6 s ILE 86 CO 0.03 -0.21 1.04 -0.60 0.00 0.00 0.00 174.94 175.20 1pr6 s ARG 87 N 1.19 4.60 -0.31 2.79 3.52 0.50 -0.52 118.95 130.71 1pr6 s ARG 87 Ca -0.03 1.56 0.02 0.00 -0.13 0.00 0.00 55.73 57.16 1pr6 s ARG 87 Cb -0.19 -3.36 0.09 0.00 -1.56 0.00 0.00 34.95 29.93 1pr6 s ARG 87 CO -0.07 0.05 0.05 0.14 -0.81 0.00 0.00 175.30 174.66 1pr6 s VAL 88 N 0.29 1.67 0.00 7.11 -7.23 -0.77 -1.12 120.40 120.35 1pr6 s VAL 88 Ca 0.50 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 1pr6 s VAL 88 Cb -0.25 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.49 1pr6 s VAL 88 CO 0.31 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 1pr6 n GLY 89 N 4.53 5.29 3.41 2.32 0.00 -0.72 -4.11 105.19 115.91 1pr6 n GLY 89 Ca -0.00 -1.34 -0.23 0.00 0.00 0.00 0.00 46.02 44.44 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 1.00 3.18 0.12 1.61 1.04 -1.26 -2.08 113.70 117.31 1pr6 s SER 90 Ca 0.00 -0.95 -0.11 0.00 0.48 0.00 0.00 55.95 55.38 1pr6 s SER 90 Cb 0.00 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1pr6 s SER 90 CO 0.00 0.01 0.28 0.00 0.98 0.00 0.00 173.24 174.51 1pr6 s GLY 92 N -2.88 2.08 0.12 0.00 0.00 -0.50 -1.20 107.32 104.93 1pr6 s GLY 92 Ca 0.09 -0.74 -0.06 0.00 0.00 0.00 0.00 44.72 44.01 1pr6 s GLY 92 CO -0.07 -0.53 0.37 0.00 0.00 0.00 0.00 173.10 172.87 1pr6 s ALA 93 N -1.09 3.78 -0.02 3.20 0.00 0.10 -0.32 121.76 127.41 1pr6 s ALA 93 Ca 0.18 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.66 1pr6 s ALA 93 Cb -0.12 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 1pr6 s ALA 93 CO 0.08 0.64 0.06 1.33 0.00 0.00 0.00 175.76 177.87 1pr6 n VAL 94 N 0.37 0.11 -3.07 0.00 0.24 -1.26 -2.50 118.33 112.21 1pr6 n VAL 94 Ca -0.04 -0.12 -0.39 0.00 -2.04 0.00 0.00 64.34 61.74 1pr6 n VAL 94 Cb 0.52 -0.14 -0.06 0.00 -1.47 0.00 0.00 33.84 32.69 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 -3.69 4.50 0.30 1.34 1.43 -1.26 -4.83 118.68 116.45 1pr6 s LEU 95 Ca -0.02 1.42 0.04 0.00 -1.03 0.00 0.00 54.13 54.54 1pr6 s LEU 95 Cb 0.02 -3.13 0.46 0.00 0.03 0.00 0.00 46.19 43.57 1pr6 s LEU 95 CO 0.16 0.13 1.75 1.55 0.23 0.00 0.00 176.35 180.17 1pr6 h PRO 96 N 5.10 0.44 0.00 1.29 0.13 -1.99 -2.75 132.00 134.22 1pr6 h PRO 96 Ca -0.46 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1pr6 h PRO 96 Cb 1.21 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1pr6 h PRO 96 CO 0.68 0.65 0.00 -2.39 -0.23 0.00 0.00 178.00 176.71 1pr6 n HIS 97 N -4.14 0.00 -3.00 1.56 1.44 -1.26 -4.62 115.22 105.20 1pr6 n HIS 97 Ca -0.00 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.29 1pr6 n HIS 97 Cb 0.39 -0.31 -0.05 0.00 0.12 0.00 0.00 29.99 30.13 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 -2.62 4.87 0.21 0.61 1.01 -1.04 -5.04 120.40 118.40 1pr6 s VAL 98 Ca 0.24 1.18 0.05 0.00 0.00 0.00 0.00 61.98 63.46 1pr6 s VAL 98 Cb 0.18 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1pr6 s VAL 98 CO 0.42 -0.14 0.26 -0.54 0.00 0.00 0.00 175.10 175.11 1pr6 s LYS 99 N 2.78 3.23 0.45 2.72 -0.14 -1.26 -4.88 119.74 122.64 1pr6 s LYS 99 Ca 0.30 -0.80 -0.24 0.00 -1.36 0.00 0.00 55.97 53.87 1pr6 s LYS 99 Cb -0.15 -2.79 -0.09 0.00 -1.68 0.00 0.00 37.83 33.12 1pr6 s LYS 99 CO 0.11 0.46 1.12 1.28 -0.76 0.00 0.00 175.35 177.56 1pr6 n LEU 100 N -0.94 3.42 -0.46 3.17 4.32 -1.26 -1.64 117.00 123.61 1pr6 n LEU 100 Ca -0.08 1.04 -0.06 0.00 -0.02 0.00 0.00 56.01 56.89 1pr6 n LEU 100 Cb 0.56 -1.42 -0.03 0.00 -1.62 0.00 0.00 43.42 40.91 1pr6 n LEU 100 CO 0.45 -1.16 -0.06 0.54 -1.22 0.00 0.00 177.39 175.95 1pr6 n ARG 101 N -0.08 -0.84 -2.80 3.23 1.74 -1.10 -4.97 116.66 111.84 1pr6 n ARG 101 Ca 0.09 0.60 -0.33 0.00 -0.77 0.00 0.00 57.85 57.44 1pr6 n ARG 101 Cb 0.40 -4.46 -0.06 0.00 -1.02 0.00 0.00 32.46 27.33 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 -2.51 6.81 -0.25 0.55 -0.00 -0.65 -4.84 116.67 115.78 1pr6 s ASP 102 Ca 0.00 1.54 -0.09 0.00 -0.00 0.00 0.00 52.55 54.00 1pr6 s ASP 102 Cb 0.00 -2.48 -0.04 0.00 -0.00 0.00 0.00 42.92 40.39 1pr6 s ASP 102 CO 0.00 -0.38 0.13 -0.69 -0.00 0.00 0.00 175.17 174.23 1pr6 s VAL 103 N -2.24 4.96 -0.11 -1.27 1.01 -1.26 -2.34 120.40 119.15 1pr6 s VAL 103 Ca 0.59 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.60 1pr6 s VAL 103 Cb -0.10 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1pr6 s VAL 103 CO 0.19 0.32 -0.04 -0.69 0.00 0.00 0.00 175.10 174.88 1pr6 s VAL 104 N 1.39 3.90 -0.21 2.92 1.01 0.97 -1.34 120.40 129.05 1pr6 s VAL 104 Ca 0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 1pr6 s VAL 104 Cb -0.15 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.60 1pr6 s VAL 104 CO 0.06 0.56 -0.13 -0.63 0.00 0.00 0.00 175.10 174.96 1pr6 s ILE 105 N -0.36 2.48 -0.98 2.22 1.01 0.48 -0.58 121.20 125.48 1pr6 s ILE 105 Ca 0.06 -0.93 -0.23 0.00 0.00 0.00 0.00 60.65 59.55 1pr6 s ILE 105 Cb -0.12 -2.15 0.06 0.00 0.01 0.00 0.00 42.46 40.26 1pr6 s ILE 105 CO 0.02 0.40 1.38 -0.83 0.00 0.00 0.00 174.94 175.91 1pr6 s GLY 106 N 1.32 1.35 0.39 6.18 0.00 -0.53 -2.02 107.32 114.00 1pr6 s GLY 106 Ca 0.03 -2.28 0.12 0.00 0.00 0.00 0.00 44.72 42.58 1pr6 s GLY 106 CO -0.09 2.56 1.88 1.98 0.00 0.00 0.00 173.10 179.44 1pr6 h MET 107 N 9.65 0.09 -4.26 2.90 4.05 -1.35 -3.40 114.93 122.61 1pr6 h MET 107 Ca 0.15 -0.03 -0.17 0.00 -0.28 0.00 0.00 59.70 59.38 1pr6 h MET 107 Cb 1.02 -0.01 -0.14 0.00 -0.80 0.00 0.00 31.60 31.67 1pr6 h MET 107 CO 1.36 0.35 -0.49 0.20 0.23 0.00 0.00 176.91 178.56 1pr6 s GLY 108 N -4.19 0.99 -0.14 1.39 0.00 -1.12 -1.62 107.32 102.63 1pr6 s GLY 108 Ca -0.04 -1.35 -0.05 0.00 0.00 0.00 0.00 44.72 43.28 1pr6 s GLY 108 CO 0.72 -1.16 0.28 0.00 0.00 0.00 0.00 173.10 172.94 1pr6 s ALA 109 N -4.07 -0.62 0.70 3.20 0.00 -0.56 -1.77 121.76 118.65 1pr6 s ALA 109 Ca 0.28 0.99 -0.08 0.00 0.00 0.00 0.00 51.96 53.16 1pr6 s ALA 109 Cb 0.05 -1.04 0.05 0.00 0.00 0.00 0.00 23.12 22.18 1pr6 s ALA 109 CO 0.06 -0.65 1.03 0.00 0.00 0.00 0.00 175.76 176.21 1pr6 s THR 111 N -3.27 0.00 -0.63 0.00 -1.32 -1.26 -0.53 115.64 108.64 1pr6 s THR 111 Ca 0.59 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 61.20 1pr6 s THR 111 Cb -0.11 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.27 1pr6 s THR 111 CO 0.46 0.00 1.32 -0.90 -2.21 0.00 0.00 174.62 173.29 1pr6 n ASP 112 N -0.18 3.30 -4.90 8.08 3.85 -1.22 -4.99 116.55 120.50 1pr6 n ASP 112 Ca -0.10 -2.39 -0.28 0.00 -0.71 0.00 0.00 54.79 51.30 1pr6 n ASP 112 Cb 0.62 -0.35 0.01 0.00 -1.35 0.00 0.00 41.12 40.05 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 -1.36 6.16 0.00 -1.12 0.15 -1.26 -4.89 113.70 111.38 1pr6 s SER 113 Ca 0.30 1.05 0.20 0.00 0.70 0.00 0.00 55.95 58.20 1pr6 s SER 113 Cb 0.20 -2.24 0.08 0.00 -1.71 0.00 0.00 66.02 62.35 1pr6 s SER 113 CO 0.13 -0.73 1.07 0.29 1.20 0.00 0.00 173.24 175.19 1pr6 n LYS 114 N -2.46 1.67 -0.35 5.44 5.02 -1.26 -4.65 118.16 121.57 1pr6 n LYS 114 Ca 0.03 -1.34 0.04 0.00 -2.02 0.00 0.00 58.31 55.02 1pr6 n LYS 114 Cb 0.55 -1.39 0.21 0.00 -0.02 0.00 0.00 35.03 34.39 1pr6 n LYS 114 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1pr6 h VAL 115 N 3.14 1.04 0.00 -0.18 -1.51 -1.99 -1.42 116.25 115.33 1pr6 h VAL 115 Ca 0.00 -0.37 -0.11 0.00 -1.23 0.00 0.00 66.70 64.99 1pr6 h VAL 115 Cb 0.76 -0.14 -0.02 0.00 -2.13 0.00 0.00 31.29 29.77 1pr6 h VAL 115 CO 0.00 0.20 -0.51 0.78 -1.23 0.00 0.00 177.57 176.81 1pr6 h ASN 116 N 1.09 0.00 0.09 4.19 2.35 -1.94 -2.44 115.58 118.91 1pr6 h ASN 116 Ca 0.43 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 56.01 1pr6 h ASN 116 Cb 0.25 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 1pr6 h ASN 116 CO -0.18 0.51 -0.61 0.03 -1.65 0.00 0.00 177.43 175.53 1pr6 h ARG 117 N 0.00 0.52 -0.42 0.81 3.08 -1.66 0.15 114.38 116.86 1pr6 h ARG 117 Ca -0.01 -0.36 -0.06 0.00 0.07 0.00 0.00 59.98 59.63 1pr6 h ARG 117 Cb 1.26 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 1pr6 h ARG 117 CO 0.07 0.97 0.03 0.82 -1.07 0.00 0.00 179.97 180.79 1pr6 h ILE 118 N 0.38 1.22 0.05 2.04 2.04 -1.18 0.23 117.51 122.29 1pr6 h ILE 118 Ca -0.01 -0.85 -0.27 0.00 1.00 0.00 0.00 64.86 64.73 1pr6 h ILE 118 Cb 1.17 0.86 0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1pr6 h ILE 118 CO 0.11 0.30 -1.10 0.03 0.00 0.00 0.00 178.15 177.49 1pr6 h ARG 119 N 0.63 0.60 -0.94 2.37 3.08 -1.05 -3.37 114.38 115.70 1pr6 h ARG 119 Ca 0.13 -0.71 -0.62 0.00 0.07 0.00 0.00 59.98 58.85 1pr6 h ARG 119 Cb 0.35 0.22 -0.30 0.00 0.08 0.00 0.00 29.97 30.31 1pr6 h ARG 119 CO 0.01 1.30 0.58 0.34 -1.07 0.00 0.00 179.97 181.13 1pr6 n PHE 120 N -3.80 3.07 -4.04 3.04 7.35 0.51 -4.93 117.46 118.66 1pr6 n PHE 120 Ca -0.11 -2.73 -0.32 0.00 -0.76 0.00 0.00 57.45 53.54 1pr6 n PHE 120 Cb 0.91 -1.21 -0.00 0.00 0.35 0.00 0.00 39.48 39.54 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 -0.93 -4.29 -1.16 -4.13 5.02 -1.11 -1.74 118.16 109.82 1pr6 n LYS 121 Ca 0.59 0.49 -0.05 0.00 -2.02 0.00 0.00 58.31 57.31 1pr6 n LYS 121 Cb 0.84 -5.21 -0.02 0.00 -0.02 0.00 0.00 35.03 30.61 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 -2.79 -4.49 -3.27 4.39 4.64 0.78 -5.01 116.55 110.82 1pr6 n ASP 122 Ca 0.00 0.14 -0.09 0.00 -1.38 0.00 0.00 54.79 53.46 1pr6 n ASP 122 Cb 0.54 -2.47 0.03 0.00 -1.04 0.00 0.00 41.12 38.17 1pr6 n ASP 122 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1pr6 n HIS 123 N -2.57 -2.46 -3.16 -0.67 8.25 -0.71 -5.02 115.22 108.89 1pr6 n HIS 123 Ca -0.05 -0.93 -0.43 0.00 -0.26 0.00 0.00 57.72 56.04 1pr6 n HIS 123 Cb 0.32 -0.23 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 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 -2.54 6.29 -0.25 0.41 1.11 -1.26 -4.58 116.67 115.86 1pr6 s ASP 124 Ca 0.24 -0.41 -0.12 0.00 0.18 0.00 0.00 52.55 52.45 1pr6 s ASP 124 Cb -0.02 -2.30 -0.05 0.00 1.07 0.00 0.00 42.92 41.63 1pr6 s ASP 124 CO 0.16 -0.73 0.21 0.12 1.18 0.00 0.00 175.17 176.11 1pr6 s PHE 125 N 2.65 3.28 -0.56 4.23 5.36 -1.26 -5.04 117.98 126.64 1pr6 s PHE 125 Ca 0.20 0.24 -0.27 0.00 -0.96 0.00 0.00 56.93 56.15 1pr6 s PHE 125 Cb -0.15 -2.36 0.03 0.00 -0.34 0.00 0.00 43.02 40.20 1pr6 s PHE 125 CO 0.18 -0.05 1.10 0.00 -1.46 0.00 0.00 175.22 174.98 1pr6 s ALA 126 N 1.44 3.06 -0.54 11.12 0.00 -1.26 -4.97 121.76 130.61 1pr6 s ALA 126 Ca 0.09 -0.96 -0.28 0.00 0.00 0.00 0.00 51.96 50.81 1pr6 s ALA 126 Cb -0.15 -3.92 0.02 0.00 0.00 0.00 0.00 23.12 19.07 1pr6 s ALA 126 CO 0.08 -2.54 1.35 0.00 0.00 0.00 0.00 175.76 174.65 1pr6 s ALA 127 N 4.57 2.90 0.22 0.00 0.00 -1.26 -4.99 121.76 123.20 1pr6 s ALA 127 Ca 0.39 -0.61 0.10 0.00 0.00 0.00 0.00 51.96 51.83 1pr6 s ALA 127 Cb -0.09 -4.05 -0.05 0.00 0.00 0.00 0.00 23.12 18.93 1pr6 s ALA 127 CO 0.23 -2.76 -0.19 0.96 0.00 0.00 0.00 175.76 174.01 1pr6 s ILE 128 N 5.64 2.11 0.86 0.00 -4.36 -1.26 -1.49 121.20 122.70 1pr6 s ILE 128 Ca 0.52 -2.17 -0.12 0.00 -0.26 0.00 0.00 60.65 58.62 1pr6 s ILE 128 Cb -0.10 -2.09 0.14 0.00 1.25 0.00 0.00 42.46 41.66 1pr6 s ILE 128 CO 0.27 -0.38 1.21 0.00 0.24 0.00 0.00 174.94 176.28 1pr6 s ALA 129 N -2.35 2.63 -0.06 2.27 0.00 -0.64 -4.87 121.76 118.74 1pr6 s ALA 129 Ca 0.23 -1.09 -0.28 0.00 0.00 0.00 0.00 51.96 50.82 1pr6 s ALA 129 Cb -0.05 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 1pr6 s ALA 129 CO 0.10 -1.98 0.94 0.34 0.00 0.00 0.00 175.76 175.15 1pr6 s ASP 130 N -4.74 7.23 0.18 0.00 -1.08 -0.85 -4.96 116.67 112.45 1pr6 s ASP 130 Ca 0.68 1.50 -0.14 0.00 -0.52 0.00 0.00 52.55 54.07 1pr6 s ASP 130 Cb -0.07 -2.53 0.17 0.00 -1.46 0.00 0.00 42.92 39.03 1pr6 s ASP 130 CO 0.50 -0.32 1.69 0.15 0.52 0.00 0.00 175.17 177.71 1pr6 h PHE 131 N 6.95 0.01 -0.74 -5.34 3.57 -1.95 -2.10 116.94 117.34 1pr6 h PHE 131 Ca -0.36 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 1pr6 h PHE 131 Cb 1.18 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.95 1pr6 h PHE 131 CO 0.69 -0.08 0.41 -0.44 -2.23 0.00 0.00 178.31 176.66 1pr6 h ASP 132 N 0.14 0.90 -0.59 0.41 3.32 -1.99 -1.22 116.42 117.39 1pr6 h ASP 132 Ca 0.24 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 1pr6 h ASP 132 Cb 0.34 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1pr6 h ASP 132 CO -0.38 0.72 -0.02 0.24 -1.72 0.00 0.00 179.24 178.08 1pr6 h MET 133 N 1.02 1.06 -0.38 3.56 2.86 -1.83 -0.56 114.93 120.66 1pr6 h MET 133 Ca 0.26 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1pr6 h MET 133 Cb 0.01 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 1pr6 h MET 133 CO -0.04 1.05 0.22 0.28 1.06 0.00 0.00 176.91 179.47 1pr6 h VAL 134 N 0.97 1.14 -0.40 -2.22 2.07 -0.92 -1.94 116.25 114.95 1pr6 h VAL 134 Ca 0.17 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1pr6 h VAL 134 Cb 0.58 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1pr6 h VAL 134 CO 0.03 0.15 0.23 -0.09 0.02 0.00 0.00 177.57 177.91 1pr6 h ARG 135 N 0.50 0.55 -1.00 1.57 2.43 -1.00 -1.56 114.38 115.87 1pr6 h ARG 135 Ca 0.14 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1pr6 h ARG 135 Cb 0.04 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 1pr6 h ARG 135 CO -0.02 0.42 0.66 -0.91 -1.51 0.00 0.00 179.97 178.61 1pr6 h ASN 136 N 0.52 1.12 -0.37 -3.80 2.35 -0.92 -0.97 115.58 113.51 1pr6 h ASN 136 Ca 0.14 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.72 1pr6 h ASN 136 Cb 0.02 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1pr6 h ASN 136 CO -0.02 0.79 -0.37 0.00 -1.65 0.00 0.00 177.43 176.17 1pr6 h ALA 137 N 1.39 0.61 -0.51 -0.83 0.00 -1.06 -0.04 119.26 118.82 1pr6 h ALA 137 Ca 0.38 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1pr6 h ALA 137 Cb -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1pr6 h ALA 137 CO -0.10 0.68 0.16 0.28 0.00 0.00 0.00 179.25 180.26 1pr6 h VAL 138 N 0.76 1.23 -0.47 0.00 2.07 -0.91 -0.93 116.25 117.99 1pr6 h VAL 138 Ca 0.06 -0.78 -0.10 0.00 0.82 0.00 0.00 66.70 66.71 1pr6 h VAL 138 Cb 0.96 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1pr6 h VAL 138 CO 0.09 0.28 -0.09 0.44 0.02 0.00 0.00 177.57 178.32 1pr6 h ASP 139 N 0.69 0.90 -0.67 0.57 3.45 -1.10 -1.61 116.42 118.65 1pr6 h ASP 139 Ca 0.16 -0.35 -0.04 0.00 0.43 0.00 0.00 57.03 57.23 1pr6 h ASP 139 Cb 0.28 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.77 1pr6 h ASP 139 CO -0.00 1.04 0.26 0.00 -1.57 0.00 0.00 179.24 178.96 1pr6 h ALA 140 N 0.89 1.15 -0.29 3.45 0.00 -0.87 -1.45 119.26 122.14 1pr6 h ALA 140 Ca 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1pr6 h ALA 140 Cb 0.63 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1pr6 h ALA 140 CO 0.04 0.61 0.06 0.00 0.00 0.00 0.00 179.25 179.95 1pr6 h ALA 141 N 1.27 0.38 -0.91 0.00 0.00 -0.97 -2.66 119.26 116.37 1pr6 h ALA 141 Ca 0.23 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1pr6 h ALA 141 Cb 0.22 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1pr6 h ALA 141 CO -0.02 0.05 0.60 -0.22 0.00 0.00 0.00 179.25 179.67 1pr6 h LYS 142 N 0.29 1.19 0.00 0.00 3.64 -1.00 -0.02 116.57 120.67 1pr6 h LYS 142 Ca 0.09 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1pr6 h LYS 142 Cb 0.32 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1pr6 h LYS 142 CO 0.00 0.79 -0.05 0.00 -2.27 0.00 0.00 179.45 177.92 1pr6 h ALA 143 N 1.34 1.18 -0.17 5.00 0.00 -1.08 -0.49 119.26 125.03 1pr6 h ALA 143 Ca 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1pr6 h ALA 143 Cb -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1pr6 h ALA 143 CO -0.07 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1pr6 n LEU 144 N -3.40 2.82 -0.52 0.00 4.77 -0.51 -4.94 117.00 115.22 1pr6 n LEU 144 Ca -0.02 -1.08 -0.05 0.00 -0.03 0.00 0.00 56.01 54.83 1pr6 n LEU 144 Cb 0.18 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1pr6 n LEU 144 CO 0.26 0.54 -0.06 0.61 -1.33 0.00 0.00 177.39 177.41 1pr6 n GLY 145 N 1.36 0.44 3.71 -0.72 0.00 -0.19 -5.03 105.19 104.75 1pr6 n GLY 145 Ca 0.17 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.24 4.30 -0.27 -0.61 1.01 -0.14 -5.00 121.20 118.25 1pr6 s ILE 146 Ca 0.00 -0.56 -0.17 0.00 0.00 0.00 0.00 60.65 59.92 1pr6 s ILE 146 Cb 0.00 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 1pr6 s ILE 146 CO 0.00 0.37 0.49 -1.81 0.00 0.00 0.00 174.94 173.99 1pr6 s ASP 147 N -1.61 6.39 -0.13 3.58 1.11 -1.26 -3.99 116.67 120.77 1pr6 s ASP 147 Ca 0.20 0.43 0.02 0.00 0.18 0.00 0.00 52.55 53.39 1pr6 s ASP 147 Cb -0.12 -2.27 0.01 0.00 1.07 0.00 0.00 42.92 41.61 1pr6 s ASP 147 CO 0.11 -0.29 -0.21 0.00 1.18 0.00 0.00 175.17 175.96 1pr6 s ALA 148 N 2.28 2.27 -0.04 5.23 0.00 -1.26 -4.07 121.76 126.17 1pr6 s ALA 148 Ca 0.20 -1.05 -0.22 0.00 0.00 0.00 0.00 51.96 50.89 1pr6 s ALA 148 Cb -0.16 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1pr6 s ALA 148 CO 0.10 0.06 0.66 1.03 0.00 0.00 0.00 175.76 177.60 1pr6 s ARG 149 N 0.68 4.40 -0.19 0.00 0.52 -0.45 -4.94 118.95 118.97 1pr6 s ARG 149 Ca -0.10 0.82 -0.02 0.00 -0.52 0.00 0.00 55.73 55.91 1pr6 s ARG 149 Cb -0.16 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 31.90 1pr6 s ARG 149 CO 0.01 0.18 -0.09 0.08 0.02 0.00 0.00 175.30 175.51 1pr6 s VAL 150 N 0.40 3.13 0.00 3.52 1.01 -1.26 -0.38 120.40 126.82 1pr6 s VAL 150 Ca 0.35 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1pr6 s VAL 150 Cb -0.18 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1pr6 s VAL 150 CO 0.18 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1pr6 n GLY 151 N 4.40 1.55 3.84 4.51 0.00 -0.86 -4.94 105.19 113.70 1pr6 n GLY 151 Ca -0.19 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 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 6.76 0.40 1.61 0.02 -1.26 -0.93 114.94 123.55 1pr6 s ASN 152 Ca 0.00 0.91 0.08 0.00 -1.02 0.00 0.00 52.86 52.82 1pr6 s ASN 152 Cb 0.00 -2.23 -0.04 0.00 0.02 0.00 0.00 41.25 39.00 1pr6 s ASN 152 CO 0.00 0.33 0.26 -0.76 0.02 0.00 0.00 177.10 176.95 1pr6 s LEU 153 N -1.04 3.26 -0.13 0.60 1.43 -0.73 -0.53 118.68 121.54 1pr6 s LEU 153 Ca 0.23 -0.89 -0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1pr6 s LEU 153 Cb -0.16 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.34 1pr6 s LEU 153 CO 0.12 -0.56 -0.07 0.12 0.23 0.00 0.00 176.35 176.19 1pr6 s PHE 154 N -2.52 1.57 -0.49 0.29 5.36 -0.44 -0.78 117.98 120.98 1pr6 s PHE 154 Ca 0.44 -0.87 -0.18 0.00 -0.96 0.00 0.00 56.93 55.36 1pr6 s PHE 154 Cb -0.00 -1.27 0.05 0.00 -0.34 0.00 0.00 43.02 41.46 1pr6 s PHE 154 CO 0.25 -0.55 0.57 -1.12 -1.46 0.00 0.00 175.22 172.91 1pr6 s SER 155 N 1.68 6.22 0.18 6.13 0.01 0.31 -1.26 113.70 126.97 1pr6 s SER 155 Ca 0.04 -0.90 -0.10 0.00 1.31 0.00 0.00 55.95 56.29 1pr6 s SER 155 Cb -0.13 -2.27 -0.07 0.00 0.21 0.00 0.00 66.02 63.76 1pr6 s SER 155 CO -0.08 -0.81 0.51 0.00 0.41 0.00 0.00 173.24 173.27 1pr6 s ALA 156 N 2.44 3.61 -0.01 1.44 0.00 -0.12 -3.37 121.76 125.75 1pr6 s ALA 156 Ca 0.14 -0.28 0.12 0.00 0.00 0.00 0.00 51.96 51.93 1pr6 s ALA 156 Cb -0.19 -2.40 -0.21 0.00 0.00 0.00 0.00 23.12 20.31 1pr6 s ALA 156 CO 0.12 0.52 0.84 -0.44 0.00 0.00 0.00 175.76 176.79 1pr6 h ASP 157 N 2.99 0.00 -3.75 0.00 3.45 -1.90 -3.42 116.42 113.80 1pr6 h ASP 157 Ca -0.47 0.00 -0.67 0.00 0.43 0.00 0.00 57.03 56.31 1pr6 h ASP 157 Cb 1.18 0.00 -0.35 0.00 -0.56 0.00 0.00 39.33 39.60 1pr6 h ASP 157 CO 0.68 0.97 -0.77 -0.76 -1.57 0.00 0.00 179.24 177.79 1pr6 s LEU 158 N -6.23 3.48 0.21 1.55 1.43 -1.26 -4.96 118.68 112.90 1pr6 s LEU 158 Ca -0.03 -1.26 -0.07 0.00 -1.03 0.00 0.00 54.13 51.74 1pr6 s LEU 158 Cb 0.08 -1.61 0.17 0.00 0.03 0.00 0.00 46.19 44.86 1pr6 s LEU 158 CO 0.82 -0.19 1.76 0.15 0.23 0.00 0.00 176.35 179.12 1pr6 h PHE 159 N 7.87 1.19 -3.68 0.29 3.04 -1.98 -3.23 116.94 120.44 1pr6 h PHE 159 Ca -0.23 -0.11 -0.78 0.00 3.98 0.00 0.00 57.97 60.84 1pr6 h PHE 159 Cb 1.06 -0.35 -0.28 0.00 2.56 0.00 0.00 35.95 38.94 1pr6 h PHE 159 CO 0.62 0.92 0.14 0.71 -2.02 0.00 0.00 178.31 178.68 1pr6 s TYR 160 N -5.45 3.89 0.20 0.41 2.02 -1.26 -5.05 117.35 112.11 1pr6 s TYR 160 Ca -0.12 -2.37 -0.29 0.00 -0.37 0.00 0.00 57.07 53.91 1pr6 s TYR 160 Cb 0.15 -3.71 -0.08 0.00 -0.40 0.00 0.00 41.96 37.92 1pr6 s TYR 160 CO 0.84 -0.94 0.93 0.45 -1.57 0.00 0.00 175.55 175.26 1pr6 s SER 161 N 1.55 7.58 0.36 2.29 0.15 -1.22 -4.95 113.70 119.46 1pr6 s SER 161 Ca 0.22 1.87 0.23 0.00 0.70 0.00 0.00 55.95 58.97 1pr6 s SER 161 Cb -0.11 -2.59 0.22 0.00 -1.71 0.00 0.00 66.02 61.83 1pr6 s SER 161 CO -0.08 0.11 1.43 1.55 1.20 0.00 0.00 173.24 177.44 1pr6 h PRO 162 N 4.54 0.00 -4.16 5.44 0.13 -1.96 -3.40 132.00 132.58 1pr6 h PRO 162 Ca -0.45 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.92 1pr6 h PRO 162 Cb 1.20 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 1pr6 h PRO 162 CO 0.69 0.02 0.48 0.34 -0.23 0.00 0.00 178.00 179.30 1pr6 s ASP 163 N -5.96 6.88 0.52 1.44 -1.08 -1.26 -4.88 116.67 112.33 1pr6 s ASP 163 Ca 0.05 -2.75 0.31 0.00 -0.52 0.00 0.00 52.55 49.63 1pr6 s ASP 163 Cb 0.06 -2.28 1.28 0.00 -1.46 0.00 0.00 42.92 40.53 1pr6 s ASP 163 CO 0.71 -0.65 1.96 1.23 0.52 0.00 0.00 175.17 178.94 1pr6 h GLY 164 N 8.40 0.00 2.00 2.66 0.00 -2.03 -3.04 103.07 111.05 1pr6 h GLY 164 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1pr6 h GLY 164 CO 0.94 0.00 0.00 1.05 0.00 0.00 0.00 176.54 178.53 1pr6 h GLU 165 N 0.00 0.00 0.00 4.80 9.09 -1.98 -3.01 114.58 123.48 1pr6 h GLU 165 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1pr6 h GLU 165 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 1pr6 h GLU 165 CO 0.01 0.00 0.00 1.98 0.05 0.00 0.00 179.01 181.05 1pr6 h MET 166 N 0.00 0.00 -0.02 1.06 4.05 -1.96 -2.68 114.93 115.38 1pr6 h MET 166 Ca 0.00 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.25 1pr6 h MET 166 Cb 0.43 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.21 1pr6 h MET 166 CO 0.00 0.00 -0.75 0.74 0.23 0.00 0.00 176.91 177.13 1pr6 h PHE 167 N 0.00 0.17 -0.24 1.39 -1.00 -1.77 -1.41 116.94 114.08 1pr6 h PHE 167 Ca 0.00 -0.08 -0.13 0.00 2.81 0.00 0.00 57.97 60.57 1pr6 h PHE 167 Cb 0.36 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.88 1pr6 h PHE 167 CO 0.00 0.82 -0.37 -0.44 -1.61 0.00 0.00 178.31 176.71 1pr6 h ASP 168 N 0.08 0.57 -0.32 2.17 3.32 -1.68 -1.88 116.42 118.68 1pr6 h ASP 168 Ca -0.02 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 1pr6 h ASP 168 Cb 1.31 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1pr6 h ASP 168 CO 0.11 0.89 0.04 0.58 -1.72 0.00 0.00 179.24 179.15 1pr6 h VAL 169 N 0.46 1.24 -0.59 -1.35 2.07 -1.48 -0.63 116.25 115.97 1pr6 h VAL 169 Ca 0.05 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1pr6 h VAL 169 Cb 0.86 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1pr6 h VAL 169 CO 0.07 0.28 0.39 0.24 0.02 0.00 0.00 177.57 178.57 1pr6 h MET 170 N 0.36 0.76 -0.60 1.57 2.86 -1.13 -2.15 114.93 116.60 1pr6 h MET 170 Ca 0.10 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1pr6 h MET 170 Cb 0.36 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1pr6 h MET 170 CO 0.01 0.50 0.13 1.49 1.06 0.00 0.00 176.91 180.10 1pr6 h GLU 171 N 0.78 0.97 -0.60 1.72 4.81 -1.21 -2.00 114.58 119.05 1pr6 h GLU 171 Ca 0.22 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1pr6 h GLU 171 Cb -0.07 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 1pr6 h GLU 171 CO -0.06 0.90 0.37 -0.22 -0.73 0.00 0.00 179.01 179.27 1pr6 h LYS 172 N 0.88 0.81 -0.65 1.92 3.64 -0.67 -2.66 116.57 119.83 1pr6 h LYS 172 Ca 0.19 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1pr6 h LYS 172 Cb 0.38 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1pr6 h LYS 172 CO 0.01 0.56 0.00 0.66 -2.27 0.00 0.00 179.45 178.41 1pr6 n TYR 173 N -4.42 1.54 -1.18 1.91 4.01 -0.85 -4.96 117.16 113.21 1pr6 n TYR 173 Ca 0.06 -0.55 -0.06 0.00 -0.16 0.00 0.00 57.90 57.18 1pr6 n TYR 173 Cb 0.07 -0.36 -0.03 0.00 -0.31 0.00 0.00 39.34 38.71 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 0.68 0.85 3.72 2.72 0.00 -1.00 -5.00 105.19 107.14 1pr6 n GLY 174 Ca 0.22 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.18 2.36 0.08 -0.61 1.09 -0.77 -4.63 121.20 116.54 1pr6 s ILE 175 Ca 0.00 0.22 -0.04 0.00 -1.10 0.00 0.00 60.65 59.73 1pr6 s ILE 175 Cb 0.00 -3.14 -0.28 0.00 -1.06 0.00 0.00 42.46 37.98 1pr6 s ILE 175 CO 0.00 0.01 1.15 -0.07 -0.10 0.00 0.00 174.94 175.94 1pr6 h LEU 176 N 7.04 0.42 -7.13 2.97 3.38 -1.16 -3.40 115.31 117.43 1pr6 h LEU 176 Ca -0.43 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.04 1pr6 h LEU 176 Cb 1.20 -0.14 -0.16 0.00 0.09 0.00 0.00 40.66 41.66 1pr6 h LEU 176 CO 0.94 1.34 0.10 -0.83 0.09 0.00 0.00 178.44 180.07 1pr6 s GLY 177 N -4.64 -0.49 -0.19 0.83 0.00 -1.25 -4.41 107.32 97.17 1pr6 s GLY 177 Ca -0.04 0.73 -0.03 0.00 0.00 0.00 0.00 44.72 45.38 1pr6 s GLY 177 CO 0.88 0.41 -0.05 0.14 0.00 0.00 0.00 173.10 174.49 1pr6 s VAL 178 N -2.39 3.54 0.00 1.40 1.01 0.56 -1.32 120.40 123.19 1pr6 s VAL 178 Ca -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1pr6 s VAL 178 Cb -0.01 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1pr6 s VAL 178 CO -0.01 0.45 0.00 -1.84 0.00 0.00 0.00 175.10 173.70 1pr6 n GLU 179 N 4.24 0.00 -1.02 2.72 -0.00 -0.39 -1.41 120.64 124.78 1pr6 n GLU 179 Ca -0.18 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 57.00 1pr6 n GLU 179 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.97 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 0.01 0.00 3.44 2.81 -1.26 -0.95 117.12 121.17 1pr6 n MET 180 Ca 0.00 -1.54 0.00 0.00 -1.81 0.00 0.00 57.70 54.35 1pr6 n MET 180 Cb 0.00 -0.25 0.00 0.00 -0.71 0.00 0.00 33.22 32.26 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 0.25 0.00 -0.33 0.03 4.71 -1.26 -2.40 120.64 121.64 1pr6 n GLU 181 Ca 0.03 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.19 1pr6 n GLU 181 Cb 0.94 -0.40 0.06 0.00 -1.01 0.00 0.00 31.44 31.02 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 -1.26 -0.01 -0.02 0.62 0.00 -1.26 -0.29 120.51 118.28 1pr6 n ALA 182 Ca 0.00 0.89 0.03 0.00 0.00 0.00 0.00 53.44 54.36 1pr6 n ALA 182 Cb 0.00 -0.44 0.39 0.00 0.00 0.00 0.00 19.45 19.40 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 1.35 1.63 -0.17 0.00 0.00 -1.84 -1.10 119.26 119.12 1pr6 h ALA 183 Ca 0.33 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1pr6 h ALA 183 Cb 0.55 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1pr6 h ALA 183 CO -0.87 0.32 -0.23 0.78 0.00 0.00 0.00 179.25 179.25 1pr6 h GLY 184 N 0.65 0.50 1.07 0.00 0.00 -1.01 -2.37 103.07 101.91 1pr6 h GLY 184 Ca 0.16 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 1pr6 h GLY 184 CO -0.03 0.50 0.15 -2.22 0.00 0.00 0.00 176.54 174.94 1pr6 h ILE 185 N 0.10 1.26 -0.11 2.60 2.04 -1.11 -1.44 117.51 120.86 1pr6 h ILE 185 Ca 0.02 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 64.79 1pr6 h ILE 185 Cb 0.80 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1pr6 h ILE 185 CO 0.05 0.38 -0.32 1.88 0.00 0.00 0.00 178.15 180.14 1pr6 h TYR 186 N 1.06 0.24 -0.33 1.37 0.99 -1.24 -0.65 116.97 118.41 1pr6 h TYR 186 Ca 0.22 -0.05 -0.12 0.00 2.00 0.00 0.00 58.73 60.77 1pr6 h TYR 186 Cb 0.40 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 38.07 1pr6 h TYR 186 CO 0.03 0.52 -0.27 0.78 -0.00 0.00 0.00 178.16 179.23 1pr6 h GLY 187 N 1.08 0.83 0.94 3.88 0.00 -0.98 -2.39 103.07 106.42 1pr6 h GLY 187 Ca 0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 1pr6 h GLY 187 CO 0.05 0.74 0.15 -2.08 0.00 0.00 0.00 176.54 175.40 1pr6 h VAL 188 N 0.53 1.19 -0.78 4.60 2.07 -0.94 -1.29 116.25 121.64 1pr6 h VAL 188 Ca 0.06 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1pr6 h VAL 188 Cb 0.83 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1pr6 h VAL 188 CO 0.07 0.21 0.51 0.00 0.02 0.00 0.00 177.57 178.38 1pr6 h ALA 189 N 1.00 1.52 -0.13 1.67 0.00 -1.09 -0.83 119.26 121.39 1pr6 h ALA 189 Ca 0.12 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 1pr6 h ALA 189 Cb 0.18 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1pr6 h ALA 189 CO -0.01 0.41 -0.81 0.00 0.00 0.00 0.00 179.25 178.83 1pr6 h ALA 190 N 1.54 0.30 -0.25 0.00 0.00 -1.19 -0.75 119.26 118.91 1pr6 h ALA 190 Ca 0.30 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1pr6 h ALA 190 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1pr6 h ALA 190 CO -0.08 0.69 -0.26 1.49 0.00 0.00 0.00 179.25 181.09 1pr6 h GLU 191 N 0.51 0.49 -0.37 0.00 4.81 -0.70 -3.25 114.58 116.06 1pr6 h GLU 191 Ca -0.06 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1pr6 h GLU 191 Cb 1.44 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.80 1pr6 h GLU 191 CO 0.17 0.71 0.00 1.19 -0.73 0.00 0.00 179.01 180.34 1pr6 n PHE 192 N -4.12 0.55 -2.96 0.92 3.01 -0.36 -5.02 117.46 109.49 1pr6 n PHE 192 Ca -0.00 -0.53 -0.11 0.00 1.01 0.00 0.00 57.45 57.81 1pr6 n PHE 192 Cb 0.41 -0.05 0.05 0.00 -0.01 0.00 0.00 39.48 39.88 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 0.53 0.04 0.81 1.37 0.00 -0.72 -5.00 105.19 102.23 1pr6 n GLY 193 Ca 0.13 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.32 0.12 -2.41 4.61 0.00 -0.37 -5.05 120.51 114.10 1pr6 n ALA 194 Ca -0.08 -0.51 -0.29 0.00 0.00 0.00 0.00 53.44 52.56 1pr6 n ALA 194 Cb 0.57 0.31 -0.16 0.00 0.00 0.00 0.00 19.45 20.17 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 -2.39 1.89 0.05 0.00 1.02 -0.83 -4.60 119.74 114.87 1pr6 s LYS 195 Ca 0.03 -0.82 -0.02 0.00 0.02 0.00 0.00 55.97 55.18 1pr6 s LYS 195 Cb 0.00 -1.81 -0.03 0.00 -0.52 0.00 0.00 37.83 35.47 1pr6 s LYS 195 CO 0.02 0.48 0.01 0.00 -0.92 0.00 0.00 175.35 174.94 1pr6 s ALA 196 N -0.51 0.30 -0.12 5.17 0.00 -1.26 -1.37 121.76 123.97 1pr6 s ALA 196 Ca 0.08 -0.96 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 1pr6 s ALA 196 Cb -0.09 0.26 0.04 0.00 0.00 0.00 0.00 23.12 23.33 1pr6 s ALA 196 CO -0.01 -0.34 0.40 -1.17 0.00 0.00 0.00 175.76 174.65 1pr6 s LEU 197 N -2.54 0.47 -0.11 0.00 2.96 -0.38 -2.00 118.68 117.09 1pr6 s LEU 197 Ca 0.01 0.67 0.03 0.00 -0.22 0.00 0.00 54.13 54.63 1pr6 s LEU 197 Cb 0.03 1.43 0.00 0.00 0.50 0.00 0.00 46.19 48.15 1pr6 s LEU 197 CO -0.08 -0.22 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.62 1pr6 s THR 198 N -0.15 1.94 -0.04 3.68 2.01 -1.26 -0.37 115.64 121.45 1pr6 s THR 198 Ca -0.03 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.09 1pr6 s THR 198 Cb -0.03 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.78 1pr6 s THR 198 CO 0.02 0.53 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.65 1pr6 s ILE 199 N 0.54 1.59 0.06 1.82 1.01 -0.28 -1.45 121.20 124.48 1pr6 s ILE 199 Ca -0.15 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.69 1pr6 s ILE 199 Cb -0.17 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 1pr6 s ILE 199 CO 0.05 0.45 -0.05 0.00 0.00 0.00 0.00 174.94 175.39 1pr6 s THR 201 N -2.86 3.01 -0.20 0.00 -4.23 -0.88 -0.02 115.64 110.45 1pr6 s THR 201 Ca 0.02 -0.77 -0.29 0.00 -1.18 0.00 0.00 61.69 59.46 1pr6 s THR 201 Cb 0.00 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 1pr6 s THR 201 CO -0.04 0.57 1.41 -0.69 -0.54 0.00 0.00 174.62 175.33 1pr6 s VAL 202 N -0.74 4.00 -0.15 2.29 1.01 -0.99 -2.39 120.40 123.43 1pr6 s VAL 202 Ca 0.12 1.17 0.16 0.00 0.00 0.00 0.00 61.98 63.43 1pr6 s VAL 202 Cb -0.11 -3.90 -0.24 0.00 0.00 0.00 0.00 36.38 32.13 1pr6 s VAL 202 CO 0.01 -0.26 0.28 -1.54 0.00 0.00 0.00 175.10 173.58 1pr6 n SER 203 N 7.43 0.29 -3.94 3.32 3.41 -0.34 -2.70 113.62 121.09 1pr6 n SER 203 Ca 0.16 0.14 -0.09 0.00 -0.26 0.00 0.00 58.87 58.81 1pr6 n SER 203 Cb 0.45 0.66 -0.06 0.00 -0.26 0.00 0.00 64.21 65.00 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 -5.67 -0.07 -0.60 4.04 1.47 -1.24 -4.71 116.67 109.89 1pr6 s ASP 204 Ca -0.08 -0.84 0.03 0.00 1.18 0.00 0.00 52.55 52.84 1pr6 s ASP 204 Cb 0.07 0.53 0.39 0.00 -0.34 0.00 0.00 42.92 43.56 1pr6 s ASP 204 CO 0.83 -1.03 1.38 1.57 0.68 0.00 0.00 175.17 178.59 1pr6 n HIS 205 N -0.32 3.34 -0.91 2.11 -0.00 -1.26 0.01 115.22 118.19 1pr6 n HIS 205 Ca -0.05 -2.98 0.00 0.00 0.46 0.00 0.00 57.72 55.15 1pr6 n HIS 205 Cb 0.62 -0.49 0.00 0.00 -0.12 0.00 0.00 29.99 30.00 1pr6 n HIS 205 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1pr6 n ILE 206 N -0.44 0.00 -3.64 3.57 2.08 -1.04 -4.75 119.36 115.14 1pr6 n ILE 206 Ca 0.42 0.00 -0.06 0.00 0.56 0.00 0.00 62.75 63.68 1pr6 n ILE 206 Cb 0.49 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.31 1pr6 n ILE 206 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1pr6 s GLN 211 N -0.44 0.67 0.00 0.38 -2.07 -1.26 -5.09 119.66 111.85 1pr6 s GLN 211 Ca 0.00 1.24 0.00 0.00 -1.82 0.00 0.00 55.36 54.78 1pr6 s GLN 211 Cb 0.00 0.27 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 1pr6 s GLN 211 CO 0.00 -0.16 0.00 -2.37 -1.32 0.00 0.00 175.29 171.44 1pr6 n THR 212 N 4.50 0.00 -3.62 3.63 5.66 -1.26 -4.97 114.28 118.21 1pr6 n THR 212 Ca -0.18 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.49 1pr6 n THR 212 Cb 0.57 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.30 1pr6 n THR 212 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1pr6 s THR 213 N 0.00 5.12 0.21 1.09 -4.23 -1.26 -5.01 115.64 111.56 1pr6 s THR 213 Ca 0.00 0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.59 1pr6 s THR 213 Cb 0.00 -3.62 0.14 0.00 1.34 0.00 0.00 72.50 70.35 1pr6 s THR 213 CO 0.00 0.08 1.78 0.00 -0.54 0.00 0.00 174.62 175.93 1pr6 h ALA 214 N 2.98 0.82 -0.17 3.99 0.00 -1.99 -1.84 119.26 123.05 1pr6 h ALA 214 Ca -0.47 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.53 1pr6 h ALA 214 Cb 1.17 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1pr6 h ALA 214 CO 0.71 -0.08 -0.08 0.00 0.00 0.00 0.00 179.25 179.80 1pr6 h ALA 215 N 1.37 0.06 -0.34 0.00 0.00 -1.99 -0.06 119.26 118.31 1pr6 h ALA 215 Ca 0.30 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 1pr6 h ALA 215 Cb 0.28 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1pr6 h ALA 215 CO -0.23 -0.52 -0.19 0.93 0.00 0.00 0.00 179.25 179.23 1pr6 h GLU 216 N -0.07 0.63 -0.22 0.00 5.08 -1.92 -1.86 114.58 116.23 1pr6 h GLU 216 Ca 0.09 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1pr6 h GLU 216 Cb 0.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1pr6 h GLU 216 CO -0.21 0.79 -0.05 0.00 -1.00 0.00 0.00 179.01 178.54 1pr6 h ARG 217 N 0.56 0.41 0.00 2.33 3.08 -1.03 -2.42 114.38 117.32 1pr6 h ARG 217 Ca 0.09 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1pr6 h ARG 217 Cb 0.64 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1pr6 h ARG 217 CO 0.05 0.65 -0.21 1.96 -1.07 0.00 0.00 179.97 181.34 1pr6 h GLN 218 N 0.14 0.00 -0.36 0.04 4.20 -0.93 -1.63 115.11 116.57 1pr6 h GLN 218 Ca 0.06 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 1pr6 h GLN 218 Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1pr6 h GLN 218 CO 0.02 0.21 -0.27 1.15 -0.67 0.00 0.00 178.83 179.28 1pr6 h THR 219 N 0.00 1.28 -0.32 -0.54 2.02 -1.16 -2.73 112.91 111.47 1pr6 h THR 219 Ca -0.00 -1.42 -0.12 0.00 0.77 0.00 0.00 66.41 65.64 1pr6 h THR 219 Cb 0.39 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1pr6 h THR 219 CO 0.03 0.47 -0.28 0.74 0.37 0.00 0.00 175.52 176.85 1pr6 h THR 220 N 0.61 1.28 -0.77 3.16 2.02 -0.91 -2.00 112.91 116.30 1pr6 h THR 220 Ca 0.07 -1.39 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 1pr6 h THR 220 Cb 0.84 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 1pr6 h THR 220 CO 0.07 0.45 0.36 0.15 0.37 0.00 0.00 175.52 176.92 1pr6 h PHE 221 N 0.57 1.12 -0.17 3.16 3.04 -1.28 -1.96 116.94 121.42 1pr6 h PHE 221 Ca 0.07 -0.06 -0.09 0.00 3.98 0.00 0.00 57.97 61.87 1pr6 h PHE 221 Cb 0.77 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 1pr6 h PHE 221 CO 0.03 0.83 -0.28 -0.91 -2.02 0.00 0.00 178.31 175.96 1pr6 h ASN 222 N 1.09 0.32 -0.60 0.41 -0.26 -1.25 -2.38 115.58 112.92 1pr6 h ASN 222 Ca 0.26 -0.11 -0.08 0.00 -0.56 0.00 0.00 56.30 55.82 1pr6 h ASN 222 Cb 0.14 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.29 1pr6 h ASN 222 CO -0.03 0.60 0.07 0.44 -1.06 0.00 0.00 177.43 177.45 1pr6 h ASP 223 N 0.28 0.97 -0.30 5.81 3.32 -0.86 -1.12 116.42 124.52 1pr6 h ASP 223 Ca 0.04 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 56.85 1pr6 h ASP 223 Cb 0.65 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1pr6 h ASP 223 CO 0.05 1.00 0.11 -0.03 -1.72 0.00 0.00 179.24 178.65 1pr6 h MET 224 N 0.91 0.24 -0.80 3.56 1.85 -0.97 0.74 114.93 120.46 1pr6 h MET 224 Ca 0.18 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.24 1pr6 h MET 224 Cb 0.46 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.40 1pr6 h MET 224 CO 0.02 0.16 0.45 0.82 -0.40 0.00 0.00 176.91 177.96 1pr6 h ILE 225 N 0.25 1.23 -0.83 1.77 1.08 -1.19 -1.15 117.51 118.67 1pr6 h ILE 225 Ca 0.13 -0.57 -0.02 0.00 -0.39 0.00 0.00 64.86 64.02 1pr6 h ILE 225 Cb 0.09 0.15 -0.04 0.00 -3.07 0.00 0.00 36.82 33.96 1pr6 h ILE 225 CO -0.13 0.26 0.45 0.11 -0.69 0.00 0.00 178.15 178.15 1pr6 h LYS 226 N 1.11 1.16 -0.45 2.37 1.79 -0.62 -1.09 116.57 120.84 1pr6 h LYS 226 Ca 0.28 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 1pr6 h LYS 226 Cb 0.01 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.41 1pr6 h LYS 226 CO -0.05 0.86 0.25 0.82 -1.08 0.00 0.00 179.45 180.25 1pr6 h ILE 227 N 1.16 1.16 0.42 1.86 2.04 -0.18 -0.49 117.51 123.48 1pr6 h ILE 227 Ca 0.29 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1pr6 h ILE 227 Cb 0.04 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1pr6 h ILE 227 CO -0.05 0.17 -0.22 0.00 0.00 0.00 0.00 178.15 178.05 1pr6 h ALA 228 N 1.10 -0.59 -0.44 1.87 0.00 -0.76 -0.84 119.26 119.61 1pr6 h ALA 228 Ca 0.16 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1pr6 h ALA 228 Cb 0.04 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1pr6 h ALA 228 CO -0.03 -0.83 0.23 -0.07 0.00 0.00 0.00 179.25 178.56 1pr6 h LEU 229 N -0.59 0.36 -1.19 0.00 3.38 -1.11 -2.46 115.31 113.69 1pr6 h LEU 229 Ca -0.05 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1pr6 h LEU 229 Cb 0.46 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1pr6 h LEU 229 CO 0.08 0.25 -0.32 -0.33 0.09 0.00 0.00 178.44 178.21 1pr6 h GLU 230 N 0.47 0.00 -0.00 1.13 4.39 -1.04 -2.79 114.58 116.74 1pr6 h GLU 230 Ca 0.19 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.79 1pr6 h GLU 230 Cb 0.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1pr6 h GLU 230 CO -0.11 0.32 -0.46 0.66 -1.16 0.00 0.00 179.01 178.25 1pr6 h SER 231 N 0.00 0.00 -0.23 1.42 4.64 -0.68 -2.41 113.55 116.28 1pr6 h SER 231 Ca -0.00 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1pr6 h SER 231 Cb 0.74 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 1pr6 h SER 231 CO 0.04 0.46 -0.04 0.58 -0.87 0.00 0.00 176.83 177.01 1pr6 h VAL 232 N 0.00 1.27 -0.88 0.95 2.07 -1.26 -1.56 116.25 116.84 1pr6 h VAL 232 Ca -0.00 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1pr6 h VAL 232 Cb 0.82 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 1pr6 h VAL 232 CO 0.06 0.31 0.54 -0.07 0.02 0.00 0.00 177.57 178.43 1pr6 h LEU 233 N 0.18 1.06 -0.74 2.57 3.38 -1.45 -0.74 115.31 119.57 1pr6 h LEU 233 Ca 0.06 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1pr6 h LEU 233 Cb 0.48 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1pr6 h LEU 233 CO 0.02 0.81 0.30 -0.07 0.09 0.00 0.00 178.44 179.58 1pr6 h LEU 234 N 1.21 1.02 -1.36 1.67 3.38 -1.32 -2.34 115.31 117.58 1pr6 h LEU 234 Ca 0.32 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1pr6 h LEU 234 Cb -0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1pr6 h LEU 234 CO -0.06 0.91 0.04 1.23 0.09 0.00 0.00 178.44 180.65 1pr6 h GLY 235 N 1.06 0.50 2.00 0.83 0.00 -0.40 -2.09 103.07 104.97 1pr6 h GLY 235 Ca 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1pr6 h GLY 235 CO -0.02 0.25 -0.02 -0.55 0.00 0.00 0.00 176.54 176.20 1pr6 h ASP 236 N 0.46 0.00 -0.02 0.19 3.32 -0.60 -3.51 116.42 116.26 1pr6 h ASP 236 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1pr6 h ASP 236 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1pr6 h ASP 236 CO 0.00 0.02 0.00 0.29 -1.72 0.00 0.00 179.24 177.83