#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a69 s THR 2 N 0.00 0.38 -0.09 0.00 -4.23 -0.59 -5.02 115.64 106.08 1a69 s THR 2 Ca 0.00 -1.71 0.26 0.00 -1.18 0.00 0.00 61.69 59.07 1a69 s THR 2 Cb 0.00 -1.38 0.27 0.00 1.34 0.00 0.00 72.50 72.73 1a69 s THR 2 CO 0.00 -0.86 1.80 1.55 -0.54 0.00 0.00 174.62 176.57 1a69 h PRO 3 N 3.34 0.00 0.00 3.99 0.13 -2.04 -2.81 132.00 134.61 1a69 h PRO 3 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1a69 h PRO 3 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1a69 h PRO 3 CO 0.61 0.00 -0.43 0.72 -0.23 0.00 0.00 178.00 178.68 1a69 n HIS 4 N -2.43 0.00 -3.82 1.56 8.25 -1.26 -4.96 115.22 112.56 1a69 n HIS 4 Ca -0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.16 1a69 n HIS 4 Cb 0.09 -0.01 -0.16 0.00 1.12 0.00 0.00 29.99 31.03 1a69 n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1a69 s ILE 5 N -1.45 0.92 -1.25 1.59 1.01 -1.06 -4.66 121.20 116.30 1a69 s ILE 5 Ca 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 1a69 s ILE 5 Cb 0.00 -1.31 0.18 0.00 0.01 0.00 0.00 42.46 41.35 1a69 s ILE 5 CO 0.03 -0.14 1.76 -3.20 0.00 0.00 0.00 174.94 173.39 1a69 n ASN 6 N 4.90 5.24 -4.03 3.58 5.15 -1.26 -1.55 115.26 127.30 1a69 n ASN 6 Ca -0.10 -3.12 -0.10 0.00 -0.60 0.00 0.00 54.58 50.65 1a69 n ASN 6 Cb 0.46 -1.47 -0.07 0.00 -0.53 0.00 0.00 39.78 38.17 1a69 n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a69 s ALA 7 N 0.22 0.29 0.24 5.20 0.00 -1.26 -4.72 121.76 121.72 1a69 s ALA 7 Ca 0.39 -1.19 0.11 0.00 0.00 0.00 0.00 51.96 51.27 1a69 s ALA 7 Cb 0.07 1.18 -0.05 0.00 0.00 0.00 0.00 23.12 24.33 1a69 s ALA 7 CO 0.01 -0.76 -0.17 -1.21 0.00 0.00 0.00 175.76 173.63 1a69 s GLU 8 N -4.02 1.78 -0.00 0.00 0.41 -1.26 -1.77 118.70 113.84 1a69 s GLU 8 Ca 0.28 -1.57 -0.35 0.00 -0.41 0.00 0.00 54.97 52.92 1a69 s GLU 8 Cb 0.02 -1.91 -0.13 0.00 -1.78 0.00 0.00 34.13 30.33 1a69 s GLU 8 CO 0.11 0.37 1.73 -0.12 -0.49 0.00 0.00 175.26 176.85 1a69 n MET 9 N -0.31 2.02 0.00 1.61 0.00 -1.26 -0.75 117.12 118.43 1a69 n MET 9 Ca -0.08 0.74 0.00 0.00 -0.00 0.00 0.00 57.70 58.36 1a69 n MET 9 Cb 0.58 -2.53 0.00 0.00 0.00 0.00 0.00 33.22 31.27 1a69 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1a69 n GLY 10 N 3.91 1.79 0.17 -5.12 0.00 -1.26 -4.93 105.19 99.75 1a69 n GLY 10 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 1a69 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a69 h ASP 11 N 0.00 0.00 -3.17 1.61 3.32 -1.31 -3.44 116.42 113.43 1a69 h ASP 11 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1a69 h ASP 11 Cb 0.00 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.45 1a69 h ASP 11 CO 0.00 0.44 -0.63 -0.36 -1.72 0.00 0.00 179.24 176.97 1a69 s PHE 12 N -3.65 3.06 0.79 4.55 0.08 -1.26 -4.74 117.98 116.81 1a69 s PHE 12 Ca -0.01 -0.00 -0.10 0.00 0.12 0.00 0.00 56.93 56.94 1a69 s PHE 12 Cb 0.12 -1.55 0.08 0.00 -0.57 0.00 0.00 43.02 41.10 1a69 s PHE 12 CO 0.71 0.50 1.14 0.00 -0.10 0.00 0.00 175.22 177.47 1a69 s ALA 13 N -1.43 2.79 -0.92 5.36 0.00 -1.26 -4.93 121.76 121.37 1a69 s ALA 13 Ca 0.28 -0.79 0.17 0.00 0.00 0.00 0.00 51.96 51.62 1a69 s ALA 13 Cb -0.11 -2.82 0.72 0.00 0.00 0.00 0.00 23.12 20.90 1a69 s ALA 13 CO 0.20 -1.61 1.54 -0.40 0.00 0.00 0.00 175.76 175.49 1a69 n ASP 14 N -3.22 0.11 -4.06 0.00 5.75 -1.26 -4.62 116.55 109.24 1a69 n ASP 14 Ca 0.09 0.53 -0.24 0.00 -0.01 0.00 0.00 54.79 55.16 1a69 n ASP 14 Cb 0.61 -0.55 -0.16 0.00 -1.03 0.00 0.00 41.12 39.99 1a69 n ASP 14 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1a69 s VAL 15 N -3.05 1.12 -0.02 2.12 1.01 -1.26 -0.37 120.40 119.96 1a69 s VAL 15 Ca 0.07 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1a69 s VAL 15 Cb 0.10 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.51 1a69 s VAL 15 CO 0.30 0.34 -0.03 0.54 0.00 0.00 0.00 175.10 176.26 1a69 s VAL 16 N 0.24 0.30 -0.03 2.92 0.11 -0.72 -2.03 120.40 121.18 1a69 s VAL 16 Ca -0.06 -0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 58.76 1a69 s VAL 16 Cb -0.11 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.36 1a69 s VAL 16 CO 0.02 0.14 0.46 -0.76 -3.33 0.00 0.00 175.10 171.63 1a69 s LEU 17 N 0.51 4.41 -0.11 2.54 1.02 -0.02 -1.65 118.68 125.37 1a69 s LEU 17 Ca -0.05 0.96 -0.02 0.00 0.02 0.00 0.00 54.13 55.04 1a69 s LEU 17 Cb -0.09 -2.68 0.04 0.00 0.02 0.00 0.00 46.19 43.48 1a69 s LEU 17 CO -0.01 0.20 0.01 -0.04 0.02 0.00 0.00 176.35 176.53 1a69 s MET 18 N -0.45 0.62 0.29 1.70 -1.94 0.63 -1.38 119.30 118.76 1a69 s MET 18 Ca 0.25 -0.07 0.06 0.00 -1.71 0.00 0.00 55.69 54.22 1a69 s MET 18 Cb -0.17 -1.38 -0.02 0.00 2.01 0.00 0.00 34.83 35.27 1a69 s MET 18 CO 0.13 -0.42 0.41 -1.25 -0.01 0.00 0.00 175.02 173.87 1a69 s PRO 19 N 1.94 3.26 0.13 2.03 0.04 -1.24 -1.19 135.00 139.98 1a69 s PRO 19 Ca 0.03 -0.90 -0.05 0.00 0.04 0.00 0.00 61.00 60.13 1a69 s PRO 19 Cb -0.14 -2.84 -0.08 0.00 0.04 0.00 0.00 34.50 31.48 1a69 s PRO 19 CO -0.06 0.25 1.32 0.78 0.04 0.00 0.00 177.00 179.32 1a69 h GLY 20 N 1.05 0.48 -6.15 0.56 0.00 -1.85 -0.69 103.07 96.48 1a69 h GLY 20 Ca -0.49 -0.81 -0.60 0.00 0.00 0.00 0.00 47.33 45.43 1a69 h GLY 20 CO 0.57 0.72 0.33 -0.35 0.00 0.00 0.00 176.54 177.81 1a69 s ASP 21 N -7.07 6.70 0.38 0.19 -1.08 -1.26 -2.05 116.67 112.48 1a69 s ASP 21 Ca -0.06 0.83 0.08 0.00 -0.52 0.00 0.00 52.55 52.88 1a69 s ASP 21 Cb 0.09 -2.39 0.83 0.00 -1.46 0.00 0.00 42.92 39.99 1a69 s ASP 21 CO 0.87 -0.48 1.95 1.55 0.52 0.00 0.00 175.17 179.58 1a69 h PRO 22 N 7.85 0.64 0.00 4.34 0.13 -1.88 0.28 132.00 143.36 1a69 h PRO 22 Ca -0.25 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 1a69 h PRO 22 Cb 1.11 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1a69 h PRO 22 CO 0.84 0.42 -0.19 -0.07 -0.23 0.00 0.00 178.00 178.77 1a69 h LEU 23 N 0.65 0.00 -0.46 1.56 4.07 -1.92 -0.87 115.31 118.35 1a69 h LEU 23 Ca 0.32 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 58.15 1a69 h LEU 23 Cb 0.39 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 1a69 h LEU 23 CO -0.11 0.19 -0.62 -0.09 -1.08 0.00 0.00 178.44 176.73 1a69 h ARG 24 N 0.00 0.00 -0.35 1.13 9.65 -0.87 -2.13 114.38 121.81 1a69 h ARG 24 Ca -0.00 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.79 1a69 h ARG 24 Cb 0.38 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 1a69 h ARG 24 CO 0.02 0.62 -0.13 0.00 2.80 0.00 0.00 179.97 183.28 1a69 h ALA 25 N 1.38 0.48 -0.63 2.80 0.00 -0.52 -1.13 119.26 121.65 1a69 h ALA 25 Ca -0.01 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1a69 h ALA 25 Cb 1.27 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1a69 h ALA 25 CO 0.08 0.37 0.21 -0.22 0.00 0.00 0.00 179.25 179.69 1a69 h LYS 26 N 0.48 0.98 -0.64 0.00 3.64 -1.38 -2.00 116.57 117.65 1a69 h LYS 26 Ca 0.08 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1a69 h LYS 26 Cb 0.66 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1a69 h LYS 26 CO 0.04 0.85 0.40 -0.92 -2.27 0.00 0.00 179.45 177.55 1a69 h TYR 27 N 0.91 0.75 -0.16 1.91 5.03 -1.17 -1.64 116.97 122.60 1a69 h TYR 27 Ca 0.21 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.52 1a69 h TYR 27 Cb 0.27 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.30 1a69 h TYR 27 CO 0.02 0.44 0.05 0.82 -1.32 0.00 0.00 178.16 178.17 1a69 h ILE 28 N 0.79 1.19 -0.55 1.81 2.04 -0.89 -1.90 117.51 120.00 1a69 h ILE 28 Ca 0.25 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.55 1a69 h ILE 28 Cb -0.01 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1a69 h ILE 28 CO -0.09 0.18 0.34 0.00 0.00 0.00 0.00 178.15 178.58 1a69 h ALA 29 N 0.87 0.70 -0.28 1.87 0.00 -1.16 0.44 119.26 121.69 1a69 h ALA 29 Ca 0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1a69 h ALA 29 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1a69 h ALA 29 CO -0.00 0.08 -0.27 1.49 0.00 0.00 0.00 179.25 180.55 1a69 h GLU 30 N 0.69 0.56 0.00 0.00 4.57 -1.27 -2.03 114.58 117.10 1a69 h GLU 30 Ca 0.21 -0.22 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1a69 h GLU 30 Cb -0.02 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1a69 h GLU 30 CO -0.07 0.77 -0.02 1.15 -1.18 0.00 0.00 179.01 179.65 1a69 h THR 31 N 0.49 1.65 0.00 0.32 2.02 -1.04 -3.42 112.91 112.92 1a69 h THR 31 Ca 0.07 -2.24 -0.04 0.00 0.77 0.00 0.00 66.41 64.96 1a69 h THR 31 Cb 0.72 3.12 -0.01 0.00 -1.74 0.00 0.00 68.15 70.23 1a69 h THR 31 CO 0.05 0.56 -1.91 0.49 0.37 0.00 0.00 175.52 175.08 1a69 n PHE 32 N -4.62 0.00 -3.32 3.16 3.01 0.12 -5.01 117.46 110.80 1a69 n PHE 32 Ca -0.10 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.08 1a69 n PHE 32 Cb 0.45 -0.49 -0.03 0.00 -0.01 0.00 0.00 39.48 39.40 1a69 n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1a69 s LEU 33 N -4.44 4.05 -0.10 4.37 1.02 -0.76 -4.75 118.68 118.05 1a69 s LEU 33 Ca -0.07 0.72 0.02 0.00 0.02 0.00 0.00 54.13 54.82 1a69 s LEU 33 Cb 0.11 -3.54 -0.01 0.00 0.02 0.00 0.00 46.19 42.76 1a69 s LEU 33 CO 0.78 -0.21 -0.16 -0.70 0.02 0.00 0.00 176.35 176.08 1a69 s GLU 34 N -3.59 3.10 -1.31 1.70 2.56 -0.37 -4.63 118.70 116.16 1a69 s GLU 34 Ca 0.44 -0.74 -0.06 0.00 0.00 0.00 0.00 54.97 54.61 1a69 s GLU 34 Cb -0.11 -2.49 0.01 0.00 2.00 0.00 0.00 34.13 33.54 1a69 s GLU 34 CO 0.30 0.30 1.12 -0.25 -0.56 0.00 0.00 175.26 176.17 1a69 n ASP 35 N 3.26 -4.90 -4.71 -1.70 8.00 -1.26 -2.01 116.55 113.22 1a69 n ASP 35 Ca -0.18 -0.57 -0.42 0.00 0.71 0.00 0.00 54.79 54.33 1a69 n ASP 35 Cb 0.53 -5.05 -0.03 0.00 -0.02 0.00 0.00 41.12 36.55 1a69 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a69 s ALA 36 N -3.34 3.26 -0.05 2.24 0.00 -1.26 -4.55 121.76 118.06 1a69 s ALA 36 Ca 0.39 0.67 0.06 0.00 0.00 0.00 0.00 51.96 53.08 1a69 s ALA 36 Cb -0.17 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1a69 s ALA 36 CO 0.73 -0.29 -0.23 -0.98 0.00 0.00 0.00 175.76 174.99 1a69 s ARG 37 N 0.88 2.43 0.10 0.00 1.70 -0.60 -4.92 118.95 118.53 1a69 s ARG 37 Ca 0.54 -0.88 -0.31 0.00 -0.47 0.00 0.00 55.73 54.61 1a69 s ARG 37 Cb -0.25 -2.17 -0.09 0.00 -0.57 0.00 0.00 34.95 31.88 1a69 s ARG 37 CO 0.29 0.47 1.61 -2.00 -1.08 0.00 0.00 175.30 174.59 1a69 s GLU 38 N -0.37 4.21 -0.00 3.89 2.12 -1.26 -1.78 118.70 125.51 1a69 s GLU 38 Ca 0.03 2.32 0.08 0.00 0.36 0.00 0.00 54.97 57.76 1a69 s GLU 38 Cb -0.12 -3.45 -0.09 0.00 0.26 0.00 0.00 34.13 30.73 1a69 s GLU 38 CO 0.02 -0.68 0.32 0.28 -0.54 0.00 0.00 175.26 174.66 1a69 n VAL 39 N 4.47 0.00 -3.58 3.70 0.31 0.49 -4.93 118.33 118.79 1a69 n VAL 39 Ca 0.15 -0.30 -0.16 0.00 -0.01 0.00 0.00 64.34 64.01 1a69 n VAL 39 Cb 0.40 0.94 -0.07 0.00 -0.91 0.00 0.00 33.84 34.21 1a69 n VAL 39 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1a69 s ASN 40 N -1.85 -0.62 0.00 4.52 3.04 -1.00 -4.47 114.94 114.56 1a69 s ASN 40 Ca 0.03 0.81 0.00 0.00 0.04 0.00 0.00 52.86 53.74 1a69 s ASN 40 Cb 0.06 0.73 0.00 0.00 -1.54 0.00 0.00 41.25 40.50 1a69 s ASN 40 CO 0.33 -0.49 0.00 -0.46 -3.04 0.00 0.00 177.10 173.43 1a69 n ASN 41 N 1.42 0.00 -4.70 -4.21 2.04 -1.26 -2.20 115.26 106.35 1a69 n ASN 41 Ca -0.18 -0.65 -0.44 0.00 -0.44 0.00 0.00 54.58 52.88 1a69 n ASN 41 Cb 0.56 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.79 1a69 n ASN 41 CO 0.00 0.00 0.00 0.55 -0.44 0.00 0.00 177.26 177.37 1a69 n VAL 42 N 0.00 0.84 -1.04 3.53 3.14 -1.26 -0.19 118.33 123.34 1a69 n VAL 42 Ca 0.00 -0.21 -0.02 0.00 -2.96 0.00 0.00 64.34 61.15 1a69 n VAL 42 Cb 0.16 -1.67 -0.01 0.00 -1.06 0.00 0.00 33.84 31.27 1a69 n VAL 42 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1a69 n ARG 43 N 2.29 -1.30 -0.99 1.45 1.74 -1.26 -2.06 116.66 116.53 1a69 n ARG 43 Ca 0.11 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 1a69 n ARG 43 Cb 0.33 -4.42 0.00 0.00 -1.02 0.00 0.00 32.46 27.35 1a69 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a69 n GLY 44 N -0.43 0.41 3.27 -0.13 0.00 0.73 -4.93 105.19 104.12 1a69 n GLY 44 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1a69 n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a69 n MET 45 N -2.11 3.23 -1.62 1.61 0.00 -0.87 -4.83 117.12 112.52 1a69 n MET 45 Ca 0.00 -3.32 -0.47 0.00 0.00 0.00 0.00 57.70 53.92 1a69 n MET 45 Cb 0.10 -3.26 -0.03 0.00 0.00 0.00 0.00 33.22 30.03 1a69 n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1a69 n LEU 46 N 6.59 2.30 -3.96 -0.89 4.77 -1.26 -4.32 117.00 120.22 1a69 n LEU 46 Ca 0.45 1.14 -0.19 0.00 -0.03 0.00 0.00 56.01 57.38 1a69 n LEU 46 Cb 0.42 -1.32 -0.15 0.00 -2.33 0.00 0.00 43.42 40.04 1a69 n LEU 46 CO 0.77 -0.90 -0.42 -0.83 -1.33 0.00 0.00 177.39 174.67 1a69 s GLY 47 N 0.14 0.45 0.10 -0.72 0.00 -0.94 -2.45 107.32 103.90 1a69 s GLY 47 Ca 0.71 -0.23 0.03 0.00 0.00 0.00 0.00 44.72 45.23 1a69 s GLY 47 CO 0.51 0.03 -0.09 -1.36 0.00 0.00 0.00 173.10 172.18 1a69 s PHE 48 N 0.31 1.04 -0.07 1.90 0.40 0.18 0.18 117.98 121.92 1a69 s PHE 48 Ca -0.04 -0.70 -0.01 0.00 -0.60 0.00 0.00 56.93 55.57 1a69 s PHE 48 Cb -0.09 -0.57 0.03 0.00 0.51 0.00 0.00 43.02 42.90 1a69 s PHE 48 CO 0.00 -0.02 0.00 0.99 0.70 0.00 0.00 175.22 176.90 1a69 s THR 49 N -2.69 0.38 0.00 0.64 2.01 -0.73 -0.40 115.64 114.85 1a69 s THR 49 Ca 0.07 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.18 1a69 s THR 49 Cb -0.01 -0.54 0.00 0.00 0.01 0.00 0.00 72.50 71.96 1a69 s THR 49 CO -0.01 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 1a69 n GLY 50 N 5.15 4.12 3.29 4.40 0.00 -0.44 -1.56 105.19 120.14 1a69 n GLY 50 Ca -0.07 -1.21 -0.25 0.00 0.00 0.00 0.00 46.02 44.48 1a69 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a69 s THR 51 N -1.90 1.78 -0.24 2.61 -4.23 -0.85 -0.63 115.64 112.17 1a69 s THR 51 Ca 0.00 -1.44 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1a69 s THR 51 Cb 0.00 -1.58 0.07 0.00 1.34 0.00 0.00 72.50 72.33 1a69 s THR 51 CO 0.00 0.07 0.03 -0.47 -0.54 0.00 0.00 174.62 173.71 1a69 s TYR 52 N -1.01 1.68 -1.41 3.99 5.04 0.18 -1.24 117.35 124.58 1a69 s TYR 52 Ca 0.08 -1.41 -0.10 0.00 -2.44 0.00 0.00 57.07 53.20 1a69 s TYR 52 Cb -0.10 -1.42 0.03 0.00 0.35 0.00 0.00 41.96 40.82 1a69 s TYR 52 CO 0.03 -0.74 1.09 1.63 -1.34 0.00 0.00 175.55 176.23 1a69 n LYS 53 N 4.86 -7.15 -1.00 4.97 5.02 -1.26 -0.85 118.16 122.75 1a69 n LYS 53 Ca -0.08 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1a69 n LYS 53 Cb 0.45 -5.78 0.00 0.00 -0.02 0.00 0.00 35.03 29.67 1a69 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a69 n GLY 54 N -1.90 0.77 3.59 0.72 0.00 -1.26 -5.02 105.19 102.09 1a69 n GLY 54 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1a69 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a69 s ARG 55 N -0.00 3.89 0.05 1.61 3.00 -0.03 -5.05 118.95 122.41 1a69 s ARG 55 Ca 0.00 -0.39 -0.31 0.00 -1.00 0.00 0.00 55.73 54.04 1a69 s ARG 55 Cb 0.00 -3.20 -0.06 0.00 0.00 0.00 0.00 34.95 31.69 1a69 s ARG 55 CO 0.00 0.19 1.40 0.21 0.00 0.00 0.00 175.30 177.11 1a69 s LYS 56 N 0.57 4.30 -0.04 5.12 2.20 -1.26 0.50 119.74 131.13 1a69 s LYS 56 Ca 0.02 2.02 -0.14 0.00 -0.36 0.00 0.00 55.97 57.51 1a69 s LYS 56 Cb -0.13 -3.46 0.03 0.00 -1.51 0.00 0.00 37.83 32.76 1a69 s LYS 56 CO 0.01 -0.52 0.32 0.96 -0.36 0.00 0.00 175.35 175.76 1a69 s ILE 57 N 1.91 0.04 0.28 5.43 -5.25 0.19 -4.72 121.20 119.08 1a69 s ILE 57 Ca 0.64 -0.35 0.10 0.00 -0.99 0.00 0.00 60.65 60.05 1a69 s ILE 57 Cb -0.34 -0.58 -0.05 0.00 2.95 0.00 0.00 42.46 44.45 1a69 s ILE 57 CO 0.28 -0.19 -0.04 -0.44 -1.79 0.00 0.00 174.94 172.76 1a69 s SER 58 N -0.94 4.31 -0.04 4.36 0.01 -0.86 -1.32 113.70 119.22 1a69 s SER 58 Ca -0.10 -0.76 -0.01 0.00 1.31 0.00 0.00 55.95 56.39 1a69 s SER 58 Cb -0.04 -0.70 0.03 0.00 0.21 0.00 0.00 66.02 65.52 1a69 s SER 58 CO 0.03 -0.01 0.07 -0.69 0.41 0.00 0.00 173.24 173.05 1a69 s VAL 59 N -2.38 -0.07 -0.18 3.43 1.01 0.47 -0.84 120.40 121.83 1a69 s VAL 59 Ca 0.31 0.22 -0.16 0.00 0.00 0.00 0.00 61.98 62.36 1a69 s VAL 59 Cb -0.06 -0.14 0.05 0.00 0.00 0.00 0.00 36.38 36.23 1a69 s VAL 59 CO 0.19 0.09 0.48 -0.32 0.00 0.00 0.00 175.10 175.54 1a69 s MET 60 N 1.21 0.55 0.74 2.72 1.75 -0.48 0.47 119.30 126.26 1a69 s MET 60 Ca -0.08 0.71 -0.13 0.00 -1.25 0.00 0.00 55.69 54.93 1a69 s MET 60 Cb -0.12 0.24 0.04 0.00 2.84 0.00 0.00 34.83 37.83 1a69 s MET 60 CO -0.04 -0.08 1.14 0.20 -0.65 0.00 0.00 175.02 175.59 1a69 s GLY 61 N 0.44 2.06 0.00 2.11 0.00 -1.03 -3.61 107.32 107.29 1a69 s GLY 61 Ca -0.01 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.31 1a69 s GLY 61 CO -0.02 0.98 0.21 -2.39 0.00 0.00 0.00 173.10 171.88 1a69 n HIS 62 N -2.97 0.00 0.00 1.90 1.44 -0.26 -4.89 115.22 110.44 1a69 n HIS 62 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1a69 n HIS 62 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 1a69 n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1a69 n GLY 63 N 0.53 -1.45 3.73 -1.39 0.00 -0.87 -2.83 105.19 102.91 1a69 n GLY 63 Ca 0.00 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 1a69 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a69 s MET 64 N -1.81 4.25 0.00 1.61 1.00 -1.26 -4.64 119.30 118.45 1a69 s MET 64 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 55.69 55.79 1a69 s MET 64 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 34.83 31.41 1a69 s MET 64 CO 0.00 0.24 0.00 0.41 0.00 0.00 0.00 175.02 175.67 1a69 n GLY 65 N 3.37 1.87 0.19 -0.03 0.00 -1.25 -4.48 105.19 104.86 1a69 n GLY 65 Ca -0.12 -1.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.02 1a69 n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a69 h ILE 66 N 0.00 0.96 -0.35 -0.61 2.04 -1.75 -2.49 117.51 115.31 1a69 h ILE 66 Ca 0.00 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1a69 h ILE 66 Cb 0.00 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 1a69 h ILE 66 CO 0.00 0.08 0.02 -0.65 0.00 0.00 0.00 178.15 177.61 1a69 h PRO 67 N 0.45 0.53 0.20 2.37 0.11 -1.90 -0.56 132.00 133.20 1a69 h PRO 67 Ca 0.20 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1a69 h PRO 67 Cb 0.11 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1a69 h PRO 67 CO -0.14 0.54 -0.09 1.03 -0.21 0.00 0.00 178.00 179.12 1a69 h SER 68 N 0.51 -0.22 0.12 -2.05 0.87 -1.72 -3.15 113.55 107.91 1a69 h SER 68 Ca 0.11 -0.30 -0.04 0.00 -1.23 0.00 0.00 61.79 60.33 1a69 h SER 68 Cb 0.30 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1a69 h SER 68 CO 0.01 0.25 -0.16 0.00 -0.53 0.00 0.00 176.83 176.39 1a69 h SER 70 N 0.08 1.01 0.50 0.00 0.02 -1.12 0.30 113.55 114.35 1a69 h SER 70 Ca 0.02 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1a69 h SER 70 Cb 0.33 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1a69 h SER 70 CO 0.02 0.76 -0.24 0.40 -1.14 0.00 0.00 176.83 176.63 1a69 h ILE 71 N 1.18 0.42 -0.12 3.27 2.04 -1.43 -2.34 117.51 120.53 1a69 h ILE 71 Ca 0.31 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1a69 h ILE 71 Cb -0.10 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1a69 h ILE 71 CO -0.06 0.05 -0.07 1.88 0.00 0.00 0.00 178.15 179.95 1a69 h TYR 72 N -0.92 -0.16 -0.30 1.37 0.05 -1.49 -2.17 116.97 113.36 1a69 h TYR 72 Ca -0.07 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.75 1a69 h TYR 72 Cb 0.60 0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.40 1a69 h TYR 72 CO 0.00 -0.11 0.12 1.79 -1.05 0.00 0.00 178.16 178.92 1a69 h THR 73 N -0.06 0.95 -0.24 -2.88 1.35 -1.00 -1.78 112.91 109.24 1a69 h THR 73 Ca 0.07 -0.09 0.02 0.00 -0.55 0.00 0.00 66.41 65.86 1a69 h THR 73 Cb 0.17 0.66 -0.02 0.00 -1.73 0.00 0.00 68.15 67.22 1a69 h THR 73 CO -0.16 0.05 0.11 0.50 -0.25 0.00 0.00 175.52 175.77 1a69 h LYS 74 N 0.27 0.24 -0.67 4.72 1.63 -1.28 -2.54 116.57 118.92 1a69 h LYS 74 Ca 0.13 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.95 1a69 h LYS 74 Cb 0.08 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.61 1a69 h LYS 74 CO -0.11 0.16 0.41 0.93 -3.45 0.00 0.00 179.45 177.38 1a69 h GLU 75 N 0.24 0.77 -0.33 1.90 5.08 -1.20 -0.49 114.58 120.55 1a69 h GLU 75 Ca 0.10 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1a69 h GLU 75 Cb 0.04 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1a69 h GLU 75 CO -0.08 0.51 0.16 -0.07 -1.00 0.00 0.00 179.01 178.53 1a69 h LEU 76 N 0.80 0.23 0.03 1.33 3.38 -1.12 0.58 115.31 120.53 1a69 h LEU 76 Ca 0.28 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1a69 h LEU 76 Cb 0.06 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1a69 h LEU 76 CO -0.12 0.17 -0.01 0.40 0.09 0.00 0.00 178.44 178.97 1a69 h ILE 77 N 0.33 1.24 -0.03 1.22 2.04 -1.20 -1.12 117.51 119.99 1a69 h ILE 77 Ca 0.14 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1a69 h ILE 77 Cb 0.06 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1a69 h ILE 77 CO -0.10 0.22 -0.03 0.00 0.00 0.00 0.00 178.15 178.23 1a69 h THR 78 N -0.41 1.38 0.00 -0.27 1.03 -1.03 -3.22 112.91 110.39 1a69 h THR 78 Ca -0.00 -1.19 0.00 0.00 -0.01 0.00 0.00 66.41 65.21 1a69 h THR 78 Cb 0.38 2.10 0.00 0.00 -1.07 0.00 0.00 68.15 69.57 1a69 h THR 78 CO 0.01 0.32 -1.41 0.47 -0.01 0.00 0.00 175.52 174.90 1a69 n ASP 79 N -4.78 0.72 -0.28 0.00 8.00 0.20 -4.58 116.55 115.83 1a69 n ASP 79 Ca -0.08 -0.45 0.03 0.00 0.71 0.00 0.00 54.79 55.01 1a69 n ASP 79 Cb 0.28 1.47 0.04 0.00 -0.02 0.00 0.00 41.12 42.89 1a69 n ASP 79 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1a69 n PHE 80 N -1.83 0.09 -1.29 1.24 3.01 -0.51 -4.66 117.46 113.51 1a69 n PHE 80 Ca -0.00 -0.17 -0.10 0.00 1.01 0.00 0.00 57.45 58.19 1a69 n PHE 80 Cb 0.40 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.82 1a69 n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a69 n GLY 81 N 0.25 1.13 3.74 1.37 0.00 -0.90 -4.61 105.19 106.18 1a69 n GLY 81 Ca 0.04 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 1a69 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a69 s VAL 82 N -2.34 2.88 -0.12 1.61 1.01 -0.68 -4.77 120.40 117.99 1a69 s VAL 82 Ca 0.00 0.73 0.12 0.00 0.00 0.00 0.00 61.98 62.83 1a69 s VAL 82 Cb 0.00 -3.47 -0.17 0.00 0.00 0.00 0.00 36.38 32.75 1a69 s VAL 82 CO 0.00 0.11 0.07 0.29 0.00 0.00 0.00 175.10 175.57 1a69 n LYS 83 N 2.53 1.76 -4.44 2.72 5.02 0.51 -4.39 118.16 121.87 1a69 n LYS 83 Ca 0.07 -0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.13 1a69 n LYS 83 Cb 0.41 -1.33 -0.16 0.00 -0.02 0.00 0.00 35.03 33.93 1a69 n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a69 s LYS 84 N -2.37 1.14 -0.08 1.97 1.02 -0.83 -1.94 119.74 118.64 1a69 s LYS 84 Ca -0.06 -0.33 0.03 0.00 0.02 0.00 0.00 55.97 55.63 1a69 s LYS 84 Cb 0.04 -1.03 0.01 0.00 -0.52 0.00 0.00 37.83 36.33 1a69 s LYS 84 CO 0.54 0.09 -0.19 0.42 -0.92 0.00 0.00 175.35 175.29 1a69 s ILE 85 N 0.33 1.64 -0.24 2.17 1.01 0.23 -1.76 121.20 124.58 1a69 s ILE 85 Ca -0.06 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1a69 s ILE 85 Cb -0.11 -1.45 0.06 0.00 0.01 0.00 0.00 42.46 40.98 1a69 s ILE 85 CO 0.01 0.47 -0.07 -0.63 0.00 0.00 0.00 174.94 174.72 1a69 s ILE 86 N 0.48 1.73 -0.13 2.92 1.01 -0.66 -1.13 121.20 125.43 1a69 s ILE 86 Ca -0.17 -1.34 -0.22 0.00 0.00 0.00 0.00 60.65 58.92 1a69 s ILE 86 Cb -0.17 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 1a69 s ILE 86 CO 0.07 -0.07 0.66 -0.60 0.00 0.00 0.00 174.94 175.00 1a69 s ARG 87 N 1.30 4.33 -0.25 2.79 3.52 0.71 -0.27 118.95 131.09 1a69 s ARG 87 Ca -0.07 0.75 0.01 0.00 -0.13 0.00 0.00 55.73 56.29 1a69 s ARG 87 Cb -0.19 -3.50 0.04 0.00 -1.56 0.00 0.00 34.95 29.74 1a69 s ARG 87 CO -0.06 -0.07 -0.09 0.14 -0.81 0.00 0.00 175.30 174.41 1a69 s VAL 88 N 1.31 2.49 0.00 7.11 -7.23 -0.33 -0.09 120.40 123.66 1a69 s VAL 88 Ca 0.33 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 1a69 s VAL 88 Cb -0.17 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.43 1a69 s VAL 88 CO 0.14 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 1a69 n GLY 89 N 4.56 3.66 3.58 2.32 0.00 -0.30 -4.09 105.19 114.93 1a69 n GLY 89 Ca -0.16 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 1a69 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a69 s SER 90 N 1.74 4.14 0.13 1.61 1.04 -1.26 -1.25 113.70 119.85 1a69 s SER 90 Ca 0.00 -0.86 -0.13 0.00 0.48 0.00 0.00 55.95 55.44 1a69 s SER 90 Cb 0.00 -0.59 0.02 0.00 0.10 0.00 0.00 66.02 65.55 1a69 s SER 90 CO 0.00 -0.05 0.34 0.00 0.98 0.00 0.00 173.24 174.52 1a69 s GLY 92 N -2.85 2.19 0.00 0.00 0.00 -0.57 -0.82 107.32 105.28 1a69 s GLY 92 Ca 0.06 -0.64 -0.02 0.00 0.00 0.00 0.00 44.72 44.12 1a69 s GLY 92 CO -0.09 -0.41 0.19 0.00 0.00 0.00 0.00 173.10 172.79 1a69 s ALA 93 N -1.12 3.97 -0.03 3.20 0.00 0.81 0.16 121.76 128.74 1a69 s ALA 93 Ca 0.19 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1a69 s ALA 93 Cb -0.13 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 1a69 s ALA 93 CO 0.09 0.76 -0.00 1.33 0.00 0.00 0.00 175.76 177.94 1a69 n VAL 94 N 0.81 0.20 -2.30 0.00 0.24 -1.26 0.31 118.33 116.34 1a69 n VAL 94 Ca -0.10 -0.11 -0.41 0.00 -2.04 0.00 0.00 64.34 61.68 1a69 n VAL 94 Cb 0.52 -0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 32.02 1a69 n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1a69 s LEU 95 N -4.51 4.42 0.27 1.34 1.02 -1.26 -4.80 118.68 115.17 1a69 s LEU 95 Ca -0.02 2.27 -0.04 0.00 0.02 0.00 0.00 54.13 56.36 1a69 s LEU 95 Cb 0.01 -3.60 0.36 0.00 0.02 0.00 0.00 46.19 42.98 1a69 s LEU 95 CO 0.11 -0.47 1.93 1.55 0.02 0.00 0.00 176.35 179.49 1a69 h PRO 96 N 5.67 1.16 0.00 1.29 0.13 -1.99 -2.00 132.00 136.26 1a69 h PRO 96 Ca -0.44 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1a69 h PRO 96 Cb 1.21 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1a69 h PRO 96 CO 0.78 0.79 0.00 -2.39 -0.23 0.00 0.00 178.00 176.95 1a69 n HIS 97 N -4.38 0.88 -2.76 1.56 1.44 -1.26 -4.62 115.22 106.07 1a69 n HIS 97 Ca 0.10 0.30 -0.43 0.00 -2.01 0.00 0.00 57.72 55.68 1a69 n HIS 97 Cb 0.05 -0.98 -0.04 0.00 0.12 0.00 0.00 29.99 29.14 1a69 n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1a69 s VAL 98 N -3.22 4.38 0.43 0.61 1.01 -0.75 -5.01 120.40 117.84 1a69 s VAL 98 Ca 0.07 0.79 0.01 0.00 0.00 0.00 0.00 61.98 62.84 1a69 s VAL 98 Cb 0.11 -4.50 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 1a69 s VAL 98 CO 0.49 -0.94 0.64 -0.54 0.00 0.00 0.00 175.10 174.75 1a69 s LYS 99 N 4.00 3.14 0.51 2.72 -0.14 -1.26 -4.82 119.74 123.89 1a69 s LYS 99 Ca 0.39 -0.48 -0.22 0.00 -1.36 0.00 0.00 55.97 54.29 1a69 s LYS 99 Cb -0.10 -2.59 -0.06 0.00 -1.68 0.00 0.00 37.83 33.41 1a69 s LYS 99 CO 0.26 -0.18 1.30 -0.51 -0.76 0.00 0.00 175.35 175.46 1a69 s LEU 100 N -4.50 3.93 0.00 3.17 1.02 -1.26 -2.18 118.68 118.86 1a69 s LEU 100 Ca 0.47 2.63 0.00 0.00 0.02 0.00 0.00 54.13 57.25 1a69 s LEU 100 Cb -0.10 -4.23 0.00 0.00 0.02 0.00 0.00 46.19 41.88 1a69 s LEU 100 CO 0.37 -1.32 0.00 0.54 0.02 0.00 0.00 176.35 175.96 1a69 n ARG 101 N -0.77 0.00 -2.48 1.70 1.74 -0.90 -4.96 116.66 110.99 1a69 n ARG 101 Ca 0.09 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.80 1a69 n ARG 101 Cb 0.46 -2.69 -0.03 0.00 -1.02 0.00 0.00 32.46 29.17 1a69 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a69 s ASP 102 N -2.91 6.60 -0.29 0.55 1.01 -0.92 -4.76 116.67 115.94 1a69 s ASP 102 Ca 0.00 2.09 -0.11 0.00 0.71 0.00 0.00 52.55 55.23 1a69 s ASP 102 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1a69 s ASP 102 CO 0.00 -0.60 0.20 -0.69 0.21 0.00 0.00 175.17 174.29 1a69 s VAL 103 N -1.66 5.30 -0.11 -1.27 1.01 -1.26 -1.94 120.40 120.48 1a69 s VAL 103 Ca 0.60 0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.68 1a69 s VAL 103 Cb -0.23 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1a69 s VAL 103 CO 0.29 0.20 -0.08 0.68 0.00 0.00 0.00 175.10 176.19 1a69 s VAL 104 N 1.76 3.53 -0.24 2.92 -7.23 0.47 -0.89 120.40 120.72 1a69 s VAL 104 Ca 0.07 -0.51 -0.04 0.00 -1.81 0.00 0.00 61.98 59.68 1a69 s VAL 104 Cb -0.16 -2.48 -0.00 0.00 0.56 0.00 0.00 36.38 34.30 1a69 s VAL 104 CO 0.11 0.55 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.81 1a69 s ILE 105 N -0.20 3.51 -0.95 -0.62 1.01 0.80 -0.64 121.20 124.11 1a69 s ILE 105 Ca 0.02 -0.56 -0.24 0.00 0.00 0.00 0.00 60.65 59.88 1a69 s ILE 105 Cb -0.13 -2.66 0.05 0.00 0.01 0.00 0.00 42.46 39.73 1a69 s ILE 105 CO 0.03 0.33 1.38 -0.83 0.00 0.00 0.00 174.94 175.85 1a69 s GLY 106 N 1.48 1.22 0.25 6.18 0.00 -0.46 -1.99 107.32 114.01 1a69 s GLY 106 Ca 0.05 -2.09 0.03 0.00 0.00 0.00 0.00 44.72 42.71 1a69 s GLY 106 CO -0.02 2.63 1.62 1.98 0.00 0.00 0.00 173.10 179.31 1a69 h MET 107 N 9.79 0.35 -4.82 2.90 4.05 -1.24 -3.40 114.93 122.55 1a69 h MET 107 Ca 0.08 -0.19 -0.34 0.00 -0.28 0.00 0.00 59.70 58.97 1a69 h MET 107 Cb 1.02 0.01 -0.14 0.00 -0.80 0.00 0.00 31.60 31.69 1a69 h MET 107 CO 1.37 0.75 -0.61 0.20 0.23 0.00 0.00 176.91 178.86 1a69 s GLY 108 N -4.20 1.73 -0.22 1.39 0.00 -1.15 -1.13 107.32 103.74 1a69 s GLY 108 Ca -0.05 -1.81 -0.05 0.00 0.00 0.00 0.00 44.72 42.80 1a69 s GLY 108 CO 0.80 -1.55 0.41 0.00 0.00 0.00 0.00 173.10 172.76 1a69 s ALA 109 N -3.82 -1.18 0.59 3.20 0.00 -0.23 -2.29 121.76 118.03 1a69 s ALA 109 Ca 0.38 1.30 -0.09 0.00 0.00 0.00 0.00 51.96 53.55 1a69 s ALA 109 Cb 0.07 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 1a69 s ALA 109 CO 0.14 -0.96 0.96 0.00 0.00 0.00 0.00 175.76 175.89 1a69 s THR 111 N -3.06 0.00 -1.14 0.00 -1.32 -1.26 0.02 115.64 108.89 1a69 s THR 111 Ca 0.53 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.13 1a69 s THR 111 Cb -0.11 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.17 1a69 s THR 111 CO 0.50 0.00 1.19 -0.90 -2.21 0.00 0.00 174.62 173.21 1a69 n ASP 112 N -0.20 2.80 -4.88 8.08 5.68 -1.21 -4.99 116.55 121.83 1a69 n ASP 112 Ca -0.16 -1.89 -0.30 0.00 -0.50 0.00 0.00 54.79 51.94 1a69 n ASP 112 Cb 0.64 -0.20 -0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1a69 n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1a69 s SER 113 N -1.00 6.30 0.00 -1.12 0.15 -1.26 -4.88 113.70 111.88 1a69 s SER 113 Ca 0.23 1.25 0.22 0.00 0.70 0.00 0.00 55.95 58.35 1a69 s SER 113 Cb 0.13 -2.39 0.15 0.00 -1.71 0.00 0.00 66.02 62.19 1a69 s SER 113 CO 0.17 -0.71 1.18 1.17 1.20 0.00 0.00 173.24 176.25 1a69 n LYS 114 N -2.36 1.98 -0.13 5.44 4.81 -1.26 -4.62 118.16 122.01 1a69 n LYS 114 Ca 0.04 -1.69 -0.04 0.00 -0.87 0.00 0.00 58.31 55.76 1a69 n LYS 114 Cb 0.54 -1.43 0.04 0.00 0.02 0.00 0.00 35.03 34.20 1a69 n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1a69 h VAL 115 N 4.04 0.68 0.00 3.15 -1.51 -2.00 -2.00 116.25 118.60 1a69 h VAL 115 Ca 0.00 -0.04 -0.07 0.00 -1.23 0.00 0.00 66.70 65.36 1a69 h VAL 115 Cb 0.90 0.55 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 1a69 h VAL 115 CO 0.00 0.02 -0.34 0.78 -1.23 0.00 0.00 177.57 176.80 1a69 h ASN 116 N 0.12 0.00 0.19 4.19 -0.26 -1.95 -2.69 115.58 115.18 1a69 h ASN 116 Ca 0.21 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.81 1a69 h ASN 116 Cb 0.31 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 1a69 h ASN 116 CO -0.35 0.34 -0.53 0.03 -1.06 0.00 0.00 177.43 175.85 1a69 h ARG 117 N 0.00 0.38 -0.28 0.81 3.08 -1.68 0.16 114.38 116.84 1a69 h ARG 117 Ca -0.00 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 59.71 1a69 h ARG 117 Cb 0.76 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1a69 h ARG 117 CO 0.04 0.82 -0.26 0.82 -1.07 0.00 0.00 179.97 180.32 1a69 h ILE 118 N 0.30 1.27 0.17 2.04 2.04 -1.09 0.27 117.51 122.51 1a69 h ILE 118 Ca 0.01 -1.32 -0.30 0.00 1.00 0.00 0.00 64.86 64.25 1a69 h ILE 118 Cb 1.03 1.34 0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1a69 h ILE 118 CO 0.09 0.42 -1.34 0.03 0.00 0.00 0.00 178.15 177.35 1a69 h ARG 119 N 0.49 0.37 -1.04 2.37 3.08 -1.22 -3.38 114.38 115.04 1a69 h ARG 119 Ca 0.07 -0.63 -0.57 0.00 0.07 0.00 0.00 59.98 58.92 1a69 h ARG 119 Cb 0.71 0.23 -0.28 0.00 0.08 0.00 0.00 29.97 30.72 1a69 h ARG 119 CO 0.05 1.30 0.73 0.34 -1.07 0.00 0.00 179.97 181.32 1a69 n PHE 120 N -3.60 2.94 -3.23 3.04 7.35 0.53 -4.93 117.46 119.57 1a69 n PHE 120 Ca -0.12 -2.41 -0.22 0.00 -0.76 0.00 0.00 57.45 53.95 1a69 n PHE 120 Cb 1.05 -1.18 0.00 0.00 0.35 0.00 0.00 39.48 39.70 1a69 n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1a69 n LYS 121 N -0.86 -3.46 -1.20 -4.13 5.02 -1.14 -1.05 118.16 111.34 1a69 n LYS 121 Ca 0.57 0.53 -0.07 0.00 -2.02 0.00 0.00 58.31 57.33 1a69 n LYS 121 Cb 1.05 -5.25 -0.03 0.00 -0.02 0.00 0.00 35.03 30.78 1a69 n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1a69 n ASP 122 N -2.26 -4.50 -3.67 4.39 2.03 0.94 -5.01 116.55 108.46 1a69 n ASP 122 Ca -0.04 0.17 -0.12 0.00 0.52 0.00 0.00 54.79 55.31 1a69 n ASP 122 Cb 0.56 -2.60 0.05 0.00 -0.72 0.00 0.00 41.12 38.41 1a69 n ASP 122 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1a69 n HIS 123 N -2.57 -2.78 -3.08 -0.67 8.25 -0.21 -5.01 115.22 109.14 1a69 n HIS 123 Ca -0.07 -1.19 -0.43 0.00 -0.26 0.00 0.00 57.72 55.77 1a69 n HIS 123 Cb 0.34 -0.37 -0.06 0.00 1.12 0.00 0.00 29.99 31.01 1a69 n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1a69 s ASP 124 N -3.26 6.30 -0.26 0.41 1.11 -1.26 -4.66 116.67 115.05 1a69 s ASP 124 Ca 0.38 -0.47 -0.12 0.00 0.18 0.00 0.00 52.55 52.52 1a69 s ASP 124 Cb -0.03 -2.33 -0.05 0.00 1.07 0.00 0.00 42.92 41.59 1a69 s ASP 124 CO 0.24 -0.87 0.22 0.12 1.18 0.00 0.00 175.17 176.06 1a69 s PHE 125 N 2.94 3.26 -0.62 4.23 5.36 -1.26 -5.03 117.98 126.86 1a69 s PHE 125 Ca 0.22 0.23 -0.26 0.00 -0.96 0.00 0.00 56.93 56.16 1a69 s PHE 125 Cb -0.15 -2.38 0.04 0.00 -0.34 0.00 0.00 43.02 40.18 1a69 s PHE 125 CO 0.17 -0.09 1.11 0.00 -1.46 0.00 0.00 175.22 174.96 1a69 s ALA 126 N 1.56 3.00 -0.56 11.12 0.00 -1.26 -4.96 121.76 130.65 1a69 s ALA 126 Ca 0.09 -1.23 -0.27 0.00 0.00 0.00 0.00 51.96 50.55 1a69 s ALA 126 Cb -0.15 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 18.99 1a69 s ALA 126 CO 0.09 -2.76 1.56 0.00 0.00 0.00 0.00 175.76 174.64 1a69 s ALA 127 N 4.75 2.65 0.25 0.00 0.00 -1.26 -4.98 121.76 123.17 1a69 s ALA 127 Ca 0.34 -0.62 0.10 0.00 0.00 0.00 0.00 51.96 51.78 1a69 s ALA 127 Cb -0.10 -4.16 -0.05 0.00 0.00 0.00 0.00 23.12 18.81 1a69 s ALA 127 CO 0.19 -3.17 -0.18 0.96 0.00 0.00 0.00 175.76 173.56 1a69 s ILE 128 N 6.88 2.21 0.71 0.00 -4.36 -1.26 -1.06 121.20 124.32 1a69 s ILE 128 Ca 0.58 -2.34 -0.03 0.00 -0.26 0.00 0.00 60.65 58.60 1a69 s ILE 128 Cb -0.12 -2.21 0.10 0.00 1.25 0.00 0.00 42.46 41.48 1a69 s ILE 128 CO 0.24 -0.47 0.99 0.00 0.24 0.00 0.00 174.94 175.94 1a69 s ALA 129 N -2.68 3.47 0.02 2.27 0.00 -0.28 -4.85 121.76 119.71 1a69 s ALA 129 Ca 0.27 -1.43 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 1a69 s ALA 129 Cb -0.03 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 1a69 s ALA 129 CO 0.12 -1.40 1.13 0.34 0.00 0.00 0.00 175.76 175.96 1a69 s ASP 130 N -4.65 7.16 0.14 0.00 2.15 -0.52 -4.95 116.67 116.00 1a69 s ASP 130 Ca 0.64 1.88 -0.22 0.00 0.43 0.00 0.00 52.55 55.28 1a69 s ASP 130 Cb -0.07 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1a69 s ASP 130 CO 0.44 -0.43 1.65 0.15 -0.17 0.00 0.00 175.17 176.81 1a69 h PHE 131 N 6.91 -0.49 -0.54 -5.34 3.57 -1.96 -1.64 116.94 117.45 1a69 h PHE 131 Ca -0.40 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.18 1a69 h PHE 131 Cb 1.21 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 40.14 1a69 h PHE 131 CO 0.68 -0.27 0.28 -0.44 -2.23 0.00 0.00 178.31 176.33 1a69 h ASP 132 N -0.22 0.40 -0.66 0.41 3.32 -1.99 -1.14 116.42 116.54 1a69 h ASP 132 Ca 0.11 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1a69 h ASP 132 Cb 0.39 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1a69 h ASP 132 CO -0.30 0.27 0.39 0.24 -1.72 0.00 0.00 179.24 178.12 1a69 h MET 133 N 0.54 0.92 0.01 3.56 2.86 -1.87 0.57 114.93 121.51 1a69 h MET 133 Ca 0.24 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1a69 h MET 133 Cb 0.15 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1a69 h MET 133 CO -0.17 0.65 -0.00 0.28 1.06 0.00 0.00 176.91 178.73 1a69 h VAL 134 N 0.93 1.20 -0.61 -2.22 2.07 -0.38 -2.01 116.25 115.22 1a69 h VAL 134 Ca 0.24 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1a69 h VAL 134 Cb -0.02 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1a69 h VAL 134 CO -0.04 0.16 0.21 0.08 0.02 0.00 0.00 177.57 178.00 1a69 h ARG 135 N -0.28 0.91 -0.69 1.57 0.11 -0.87 -1.03 114.38 114.10 1a69 h ARG 135 Ca -0.00 -0.16 -0.06 0.00 0.10 0.00 0.00 59.98 59.86 1a69 h ARG 135 Cb 0.27 -0.15 -0.03 0.00 1.11 0.00 0.00 29.97 31.17 1a69 h ARG 135 CO 0.00 0.77 0.20 -0.91 0.10 0.00 0.00 179.97 180.14 1a69 h ASN 136 N 0.89 1.01 -0.47 0.08 2.35 -0.84 -0.66 115.58 117.94 1a69 h ASN 136 Ca 0.21 -0.19 -0.13 0.00 -0.55 0.00 0.00 56.30 55.64 1a69 h ASN 136 Cb 0.22 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1a69 h ASN 136 CO -0.01 0.95 -0.21 0.00 -1.65 0.00 0.00 177.43 176.51 1a69 h ALA 137 N 1.18 0.72 -0.33 -0.83 0.00 -0.90 -0.29 119.26 118.80 1a69 h ALA 137 Ca 0.22 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1a69 h ALA 137 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1a69 h ALA 137 CO -0.01 0.67 0.11 0.28 0.00 0.00 0.00 179.25 180.30 1a69 h VAL 138 N 0.85 1.21 -0.23 0.00 2.07 -0.79 -1.24 116.25 118.11 1a69 h VAL 138 Ca 0.11 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1a69 h VAL 138 Cb 0.78 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1a69 h VAL 138 CO 0.06 0.23 0.07 0.44 0.02 0.00 0.00 177.57 178.39 1a69 h ASP 139 N 0.39 0.34 -0.47 0.57 3.32 -1.05 -1.24 116.42 118.27 1a69 h ASP 139 Ca 0.11 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 57.00 1a69 h ASP 139 Cb 0.25 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 1a69 h ASP 139 CO -0.00 0.46 0.21 0.00 -1.72 0.00 0.00 179.24 178.18 1a69 h ALA 140 N 0.89 0.58 -0.52 3.45 0.00 -0.95 -0.83 119.26 121.88 1a69 h ALA 140 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1a69 h ALA 140 Cb 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1a69 h ALA 140 CO -0.00 -0.17 0.34 0.00 0.00 0.00 0.00 179.25 179.43 1a69 h ALA 141 N 1.28 0.66 -0.81 0.00 0.00 -1.07 -2.35 119.26 116.98 1a69 h ALA 141 Ca 0.21 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1a69 h ALA 141 Cb 0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1a69 h ALA 141 CO -0.18 0.11 0.53 -0.22 0.00 0.00 0.00 179.25 179.49 1a69 h LYS 142 N 0.71 0.98 0.00 0.00 3.64 -0.54 -0.19 116.57 121.17 1a69 h LYS 142 Ca 0.19 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1a69 h LYS 142 Cb -0.08 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.52 1a69 h LYS 142 CO -0.04 0.65 -0.26 0.00 -2.27 0.00 0.00 179.45 177.53 1a69 h ALA 143 N 1.52 1.33 -0.01 5.00 0.00 -0.65 -2.35 119.26 124.11 1a69 h ALA 143 Ca 0.32 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1a69 h ALA 143 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1a69 h ALA 143 CO -0.09 0.33 -0.20 1.28 0.00 0.00 0.00 179.25 180.56 1a69 n LEU 144 N -3.89 1.12 0.00 0.00 4.77 -0.46 -4.93 117.00 113.62 1a69 n LEU 144 Ca -0.02 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1a69 n LEU 144 Cb 0.34 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1a69 n LEU 144 CO 0.35 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1a69 n GLY 145 N 1.31 0.69 3.84 -0.72 0.00 -0.79 -5.05 105.19 104.46 1a69 n GLY 145 Ca 0.14 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1a69 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a69 s ILE 146 N -2.00 5.40 -0.71 -0.61 1.01 -0.21 -4.99 121.20 119.10 1a69 s ILE 146 Ca 0.00 0.33 -0.10 0.00 0.00 0.00 0.00 60.65 60.89 1a69 s ILE 146 Cb 0.00 -3.48 0.18 0.00 0.01 0.00 0.00 42.46 39.18 1a69 s ILE 146 CO 0.00 0.57 0.60 -1.81 0.00 0.00 0.00 174.94 174.29 1a69 s ASP 147 N -0.70 6.09 0.32 3.58 1.11 -1.26 -3.41 116.67 122.40 1a69 s ASP 147 Ca 0.15 -2.62 -0.27 0.00 0.18 0.00 0.00 52.55 49.99 1a69 s ASP 147 Cb -0.13 -2.07 -0.09 0.00 1.07 0.00 0.00 42.92 41.70 1a69 s ASP 147 CO 0.05 -0.53 1.02 0.00 1.18 0.00 0.00 175.17 176.89 1a69 s ALA 148 N 0.28 3.25 -0.13 5.23 0.00 -1.26 -4.68 121.76 124.44 1a69 s ALA 148 Ca 0.16 0.71 -0.15 0.00 0.00 0.00 0.00 51.96 52.67 1a69 s ALA 148 Cb -0.16 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1a69 s ALA 148 CO -0.06 -0.05 0.37 1.03 0.00 0.00 0.00 175.76 177.05 1a69 s ARG 149 N -1.89 4.24 -0.19 0.00 0.52 -0.07 -4.94 118.95 116.61 1a69 s ARG 149 Ca 0.50 0.25 -0.03 0.00 -0.52 0.00 0.00 55.73 55.92 1a69 s ARG 149 Cb -0.25 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 31.80 1a69 s ARG 149 CO 0.31 0.26 -0.05 0.08 0.02 0.00 0.00 175.30 175.93 1a69 s VAL 150 N 0.35 3.53 0.00 3.52 1.01 -1.26 -0.14 120.40 127.41 1a69 s VAL 150 Ca 0.20 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1a69 s VAL 150 Cb -0.14 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1a69 s VAL 150 CO 0.07 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1a69 n GLY 151 N 4.27 1.30 3.84 4.51 0.00 -0.84 -4.95 105.19 113.32 1a69 n GLY 151 Ca -0.18 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 1a69 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a69 s ASN 152 N 2.00 6.78 0.34 1.61 0.01 -1.26 -0.72 114.94 123.69 1a69 s ASN 152 Ca 0.00 0.93 0.09 0.00 -0.71 0.00 0.00 52.86 53.16 1a69 s ASN 152 Cb 0.00 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.38 1a69 s ASN 152 CO 0.00 0.32 0.08 -0.76 -1.51 0.00 0.00 177.10 175.23 1a69 s LEU 153 N -1.12 3.14 -0.19 0.60 1.43 -0.97 0.03 118.68 121.61 1a69 s LEU 153 Ca 0.24 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1a69 s LEU 153 Cb -0.16 -1.58 0.04 0.00 0.03 0.00 0.00 46.19 44.52 1a69 s LEU 153 CO 0.13 -0.25 -0.08 0.12 0.23 0.00 0.00 176.35 176.50 1a69 s PHE 154 N -2.46 2.12 -0.49 0.29 2.19 -0.05 0.02 117.98 119.61 1a69 s PHE 154 Ca 0.36 -1.39 -0.19 0.00 0.33 0.00 0.00 56.93 56.04 1a69 s PHE 154 Cb -0.02 -1.51 0.05 0.00 -1.31 0.00 0.00 43.02 40.24 1a69 s PHE 154 CO 0.21 -0.69 0.60 -1.12 1.83 0.00 0.00 175.22 176.05 1a69 s SER 155 N 1.49 6.23 0.20 6.13 0.01 0.10 -0.62 113.70 127.25 1a69 s SER 155 Ca -0.01 -0.83 -0.05 0.00 1.31 0.00 0.00 55.95 56.37 1a69 s SER 155 Cb -0.16 -2.28 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 1a69 s SER 155 CO -0.08 -0.84 0.46 0.00 0.41 0.00 0.00 173.24 173.19 1a69 s ALA 156 N 2.56 3.71 -0.09 1.44 0.00 0.37 -3.32 121.76 126.43 1a69 s ALA 156 Ca 0.15 -0.53 0.11 0.00 0.00 0.00 0.00 51.96 51.69 1a69 s ALA 156 Cb -0.19 -2.22 -0.24 0.00 0.00 0.00 0.00 23.12 20.48 1a69 s ALA 156 CO 0.13 0.51 0.48 -0.25 0.00 0.00 0.00 175.76 176.63 1a69 n ASP 157 N -0.30 0.88 -4.22 0.00 9.92 -1.26 -4.47 116.55 117.09 1a69 n ASP 157 Ca -0.02 0.29 -0.38 0.00 -0.53 0.00 0.00 54.79 54.15 1a69 n ASP 157 Cb 0.53 0.05 -0.11 0.00 -0.64 0.00 0.00 41.12 40.94 1a69 n ASP 157 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1a69 s LEU 158 N -6.09 4.78 0.21 0.64 1.02 -1.26 -4.93 118.68 113.05 1a69 s LEU 158 Ca -0.09 -1.50 -0.07 0.00 0.02 0.00 0.00 54.13 52.49 1a69 s LEU 158 Cb 0.07 -1.88 0.16 0.00 0.02 0.00 0.00 46.19 44.57 1a69 s LEU 158 CO 0.81 -0.44 1.75 0.15 0.02 0.00 0.00 176.35 178.64 1a69 h PHE 159 N 8.22 1.18 -3.16 0.29 3.04 -1.98 -3.14 116.94 121.39 1a69 h PHE 159 Ca -0.20 -0.12 -0.75 0.00 3.98 0.00 0.00 57.97 60.88 1a69 h PHE 159 Cb 1.07 -0.34 -0.32 0.00 2.56 0.00 0.00 35.95 38.92 1a69 h PHE 159 CO 0.59 0.93 0.27 0.66 -2.02 0.00 0.00 178.31 178.74 1a69 n TYR 160 N -4.25 3.95 -2.59 0.41 4.01 -1.26 -5.05 117.16 112.39 1a69 n TYR 160 Ca 0.06 -3.64 -0.40 0.00 -0.16 0.00 0.00 57.90 53.76 1a69 n TYR 160 Cb 0.23 -1.29 -0.05 0.00 -0.31 0.00 0.00 39.34 37.92 1a69 n TYR 160 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1a69 s SER 161 N -0.40 7.37 0.00 7.72 0.15 -1.19 -4.95 113.70 122.40 1a69 s SER 161 Ca 0.31 2.13 0.28 0.00 0.70 0.00 0.00 55.95 59.36 1a69 s SER 161 Cb -0.02 -2.62 1.01 0.00 -1.71 0.00 0.00 66.02 62.68 1a69 s SER 161 CO -0.04 -0.06 1.73 -0.81 1.20 0.00 0.00 173.24 175.27 1a69 n PRO 162 N 1.19 0.43 -3.55 5.44 -0.04 -1.26 -4.50 135.00 132.71 1a69 n PRO 162 Ca -0.01 -0.17 -0.39 0.00 -0.04 0.00 0.00 63.50 62.89 1a69 n PRO 162 Cb 0.46 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 1a69 n PRO 162 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1a69 s ASP 163 N -2.69 6.24 0.50 3.54 2.15 -1.26 -4.88 116.67 120.27 1a69 s ASP 163 Ca 0.22 -3.44 0.26 0.00 0.43 0.00 0.00 52.55 50.01 1a69 s ASP 163 Cb 0.19 -2.00 1.33 0.00 -0.30 0.00 0.00 42.92 42.14 1a69 s ASP 163 CO 0.54 -0.28 2.02 1.23 -0.17 0.00 0.00 175.17 178.52 1a69 h GLY 164 N 6.51 0.00 2.00 2.66 0.00 -2.03 -2.66 103.07 109.55 1a69 h GLY 164 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1a69 h GLY 164 CO 0.85 0.00 -0.06 -2.09 0.00 0.00 0.00 176.54 175.24 1a69 h GLU 165 N 0.00 0.00 -0.33 4.80 4.81 -1.98 -2.68 114.58 119.20 1a69 h GLU 165 Ca -0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1a69 h GLU 165 Cb 0.41 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1a69 h GLU 165 CO 0.02 0.06 0.23 1.98 -0.73 0.00 0.00 179.01 180.57 1a69 h MET 166 N 0.00 0.27 -0.24 1.92 4.05 -1.90 -1.79 114.93 117.24 1a69 h MET 166 Ca -0.00 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 1a69 h MET 166 Cb 0.23 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 1a69 h MET 166 CO 0.01 0.18 -0.02 0.74 0.23 0.00 0.00 176.91 178.04 1a69 h PHE 167 N 0.28 0.37 -0.42 1.39 0.04 -1.69 -0.74 116.94 116.17 1a69 h PHE 167 Ca 0.14 -0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.75 1a69 h PHE 167 Cb 0.22 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1a69 h PHE 167 CO -0.00 0.39 -0.25 -0.44 -0.60 0.00 0.00 178.31 177.42 1a69 h ASP 168 N 0.35 0.94 -0.22 2.17 3.32 -1.50 -2.06 116.42 119.42 1a69 h ASP 168 Ca 0.08 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1a69 h ASP 168 Cb 0.27 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1a69 h ASP 168 CO 0.01 1.16 0.11 0.58 -1.72 0.00 0.00 179.24 179.38 1a69 h VAL 169 N 0.73 1.13 -0.40 -1.35 2.07 -1.32 -0.71 116.25 116.40 1a69 h VAL 169 Ca 0.09 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1a69 h VAL 169 Cb 0.82 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1a69 h VAL 169 CO 0.07 0.13 0.13 0.24 0.02 0.00 0.00 177.57 178.16 1a69 h MET 170 N 0.23 0.27 -0.57 1.57 2.86 -1.06 -1.38 114.93 116.86 1a69 h MET 170 Ca 0.08 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1a69 h MET 170 Cb 0.10 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 1a69 h MET 170 CO -0.01 0.18 0.35 1.49 1.06 0.00 0.00 176.91 179.99 1a69 h GLU 171 N 0.28 0.68 -0.91 1.72 4.81 -1.14 -1.64 114.58 118.39 1a69 h GLU 171 Ca 0.18 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1a69 h GLU 171 Cb 0.18 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 1a69 h GLU 171 CO -0.20 0.45 0.60 -0.22 -0.73 0.00 0.00 179.01 178.91 1a69 h LYS 172 N 0.71 1.14 -0.27 1.92 3.64 -0.40 -2.64 116.57 120.66 1a69 h LYS 172 Ca 0.23 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1a69 h LYS 172 Cb 0.00 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 1a69 h LYS 172 CO -0.09 0.75 0.00 0.66 -2.27 0.00 0.00 179.45 178.50 1a69 n TYR 173 N -4.43 0.35 -1.74 1.91 4.02 -0.59 -4.94 117.16 111.75 1a69 n TYR 173 Ca 0.12 -0.18 -0.07 0.00 -0.01 0.00 0.00 57.90 57.76 1a69 n TYR 173 Cb 0.08 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.38 1a69 n TYR 173 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a69 n GLY 174 N 1.01 0.43 3.70 2.72 0.00 -0.99 -4.99 105.19 107.07 1a69 n GLY 174 Ca 0.11 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1a69 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a69 s ILE 175 N -2.30 2.93 -0.01 -0.61 1.09 -0.67 -4.62 121.20 117.02 1a69 s ILE 175 Ca 0.00 0.48 -0.25 0.00 -1.10 0.00 0.00 60.65 59.78 1a69 s ILE 175 Cb 0.00 -3.31 -0.18 0.00 -1.06 0.00 0.00 42.46 37.91 1a69 s ILE 175 CO 0.00 0.01 1.24 -0.07 -0.10 0.00 0.00 174.94 176.02 1a69 h LEU 176 N 8.09 -0.15 -7.82 2.97 4.07 -0.75 -3.40 115.31 118.33 1a69 h LEU 176 Ca -0.43 -0.32 -0.08 0.00 0.08 0.00 0.00 57.88 57.13 1a69 h LEU 176 Cb 1.20 0.04 -0.14 0.00 1.08 0.00 0.00 40.66 42.84 1a69 h LEU 176 CO 0.92 0.27 -0.33 -0.83 -1.08 0.00 0.00 178.44 177.40 1a69 s GLY 177 N -2.95 0.13 -0.23 0.83 0.00 -1.25 -4.34 107.32 99.52 1a69 s GLY 177 Ca -0.15 -0.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.94 1a69 s GLY 177 CO 0.60 -0.75 -0.07 0.14 0.00 0.00 0.00 173.10 173.02 1a69 s VAL 178 N -3.88 3.06 0.00 1.40 1.01 0.12 -0.87 120.40 121.24 1a69 s VAL 178 Ca 0.07 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1a69 s VAL 178 Cb 0.04 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1a69 s VAL 178 CO -0.09 0.36 0.00 -1.84 0.00 0.00 0.00 175.10 173.53 1a69 n GLU 179 N 4.74 1.17 -0.68 2.72 -0.00 0.21 -1.51 120.64 127.29 1a69 n GLU 179 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1a69 n GLU 179 Cb 0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 31.44 31.93 1a69 n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1a69 n MET 180 N 0.00 0.00 0.00 3.44 2.81 -1.26 -0.48 117.12 121.63 1a69 n MET 180 Ca 0.00 -0.93 0.00 0.00 -1.81 0.00 0.00 57.70 54.96 1a69 n MET 180 Cb 0.00 -0.25 0.00 0.00 -0.71 0.00 0.00 33.22 32.26 1a69 n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1a69 n GLU 181 N 0.08 0.04 -0.30 0.03 4.71 -1.26 -2.16 120.64 121.78 1a69 n GLU 181 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 1a69 n GLU 181 Cb 0.72 -0.51 -0.07 0.00 -1.01 0.00 0.00 31.44 30.58 1a69 n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a69 n ALA 182 N -0.95 -0.44 -0.31 0.62 0.00 -1.26 -0.63 120.51 117.54 1a69 n ALA 182 Ca 0.00 0.61 0.09 0.00 0.00 0.00 0.00 53.44 54.14 1a69 n ALA 182 Cb 0.01 -0.11 0.30 0.00 0.00 0.00 0.00 19.45 19.66 1a69 n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a69 h ALA 183 N 0.38 1.66 -0.33 0.00 0.00 -1.85 -0.29 119.26 118.83 1a69 h ALA 183 Ca 0.12 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1a69 h ALA 183 Cb 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1a69 h ALA 183 CO -0.67 0.11 -0.04 0.78 0.00 0.00 0.00 179.25 179.43 1a69 h GLY 184 N 0.86 0.66 0.98 0.00 0.00 -1.22 -1.15 103.07 103.19 1a69 h GLY 184 Ca 0.46 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 1a69 h GLY 184 CO -0.23 0.47 0.16 -2.22 0.00 0.00 0.00 176.54 174.73 1a69 h ILE 185 N 0.40 1.23 -0.35 2.60 2.04 -0.61 -1.68 117.51 121.14 1a69 h ILE 185 Ca 0.09 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 1a69 h ILE 185 Cb 0.51 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1a69 h ILE 185 CO 0.02 0.28 -0.01 1.88 0.00 0.00 0.00 178.15 180.33 1a69 h TYR 186 N 0.70 0.58 -0.24 1.37 0.05 -1.01 -1.76 116.97 116.66 1a69 h TYR 186 Ca 0.17 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 1a69 h TYR 186 Cb 0.27 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 1a69 h TYR 186 CO 0.01 0.57 -0.05 0.78 -1.05 0.00 0.00 178.16 178.43 1a69 h GLY 187 N 0.86 0.50 0.99 3.88 0.00 -0.82 -2.56 103.07 105.92 1a69 h GLY 187 Ca 0.11 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1a69 h GLY 187 CO 0.01 0.37 0.28 -2.08 0.00 0.00 0.00 176.54 175.13 1a69 h VAL 188 N 0.21 1.21 -0.59 4.60 2.07 -1.05 -1.33 116.25 121.37 1a69 h VAL 188 Ca 0.06 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1a69 h VAL 188 Cb 0.51 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1a69 h VAL 188 CO 0.02 0.24 0.37 0.00 0.02 0.00 0.00 177.57 178.22 1a69 h ALA 189 N 1.12 0.75 -0.34 1.67 0.00 -1.31 0.10 119.26 121.25 1a69 h ALA 189 Ca 0.20 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1a69 h ALA 189 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1a69 h ALA 189 CO -0.03 0.21 -0.23 0.00 0.00 0.00 0.00 179.25 179.20 1a69 h ALA 190 N 1.19 0.96 -0.25 0.00 0.00 -1.31 0.29 119.26 120.14 1a69 h ALA 190 Ca 0.21 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 1a69 h ALA 190 Cb -0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1a69 h ALA 190 CO -0.04 0.61 -0.54 1.49 0.00 0.00 0.00 179.25 180.76 1a69 h GLU 191 N 0.58 0.73 -0.25 0.00 4.81 -0.73 -3.28 114.58 116.46 1a69 h GLU 191 Ca 0.08 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1a69 h GLU 191 Cb 0.71 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1a69 h GLU 191 CO 0.05 1.08 0.00 1.19 -0.73 0.00 0.00 179.01 180.61 1a69 n PHE 192 N -3.99 0.30 -2.90 0.92 3.01 0.32 -5.00 117.46 110.12 1a69 n PHE 192 Ca -0.04 -0.16 -0.11 0.00 1.01 0.00 0.00 57.45 58.15 1a69 n PHE 192 Cb 0.61 -0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.14 1a69 n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a69 n GLY 193 N 1.34 -0.05 2.71 1.37 0.00 0.47 -5.00 105.19 106.04 1a69 n GLY 193 Ca 0.16 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1a69 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a69 n ALA 194 N -3.00 0.33 -3.18 4.61 0.00 0.71 -5.02 120.51 114.95 1a69 n ALA 194 Ca -0.17 -1.70 -0.32 0.00 0.00 0.00 0.00 53.44 51.25 1a69 n ALA 194 Cb 0.60 0.95 -0.16 0.00 0.00 0.00 0.00 19.45 20.84 1a69 n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a69 s LYS 195 N -3.36 3.19 0.12 0.00 1.02 -0.82 -4.56 119.74 115.33 1a69 s LYS 195 Ca 0.01 -0.80 0.03 0.00 0.02 0.00 0.00 55.97 55.23 1a69 s LYS 195 Cb 0.00 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 1a69 s LYS 195 CO 0.01 0.18 -0.07 0.00 -0.92 0.00 0.00 175.35 174.55 1a69 s ALA 196 N 0.38 1.15 -0.11 5.17 0.00 -1.26 -0.60 121.76 126.49 1a69 s ALA 196 Ca -0.15 -1.41 -0.26 0.00 0.00 0.00 0.00 51.96 50.14 1a69 s ALA 196 Cb -0.17 0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.16 1a69 s ALA 196 CO 0.07 -0.20 0.61 -1.17 0.00 0.00 0.00 175.76 175.07 1a69 s LEU 197 N -3.09 -0.35 -0.08 0.00 2.96 -0.28 -1.43 118.68 116.41 1a69 s LEU 197 Ca 0.14 0.80 0.01 0.00 -0.22 0.00 0.00 54.13 54.87 1a69 s LEU 197 Cb 0.04 2.22 0.02 0.00 0.50 0.00 0.00 46.19 48.97 1a69 s LEU 197 CO -0.03 -0.46 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.55 1a69 s THR 198 N -0.71 1.09 -0.06 3.68 2.01 -1.26 -0.21 115.64 120.19 1a69 s THR 198 Ca -0.08 -0.42 0.05 0.00 0.31 0.00 0.00 61.69 61.56 1a69 s THR 198 Cb -0.02 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 1a69 s THR 198 CO 0.06 0.36 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.50 1a69 s ILE 199 N 0.98 1.81 0.12 1.82 1.01 0.87 -1.35 121.20 126.47 1a69 s ILE 199 Ca -0.09 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.65 1a69 s ILE 199 Cb -0.15 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1a69 s ILE 199 CO -0.00 0.51 -0.01 0.00 0.00 0.00 0.00 174.94 175.43 1a69 s THR 201 N -3.75 2.20 -0.53 0.00 -4.23 -0.38 -0.40 115.64 108.55 1a69 s THR 201 Ca 0.18 -0.98 -0.27 0.00 -1.18 0.00 0.00 61.69 59.44 1a69 s THR 201 Cb 0.06 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 1a69 s THR 201 CO -0.01 0.56 2.05 -0.69 -0.54 0.00 0.00 174.62 175.99 1a69 s VAL 202 N 0.17 3.24 -0.35 2.29 1.01 -0.82 -1.76 120.40 124.19 1a69 s VAL 202 Ca -0.13 0.16 0.21 0.00 0.00 0.00 0.00 61.98 62.22 1a69 s VAL 202 Cb -0.16 -3.57 0.23 0.00 0.00 0.00 0.00 36.38 32.87 1a69 s VAL 202 CO 0.07 -0.53 1.48 0.77 0.00 0.00 0.00 175.10 176.88 1a69 h SER 203 N 16.31 0.00 -4.97 3.32 4.64 -1.34 -2.40 113.55 129.10 1a69 h SER 203 Ca -0.27 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.13 1a69 h SER 203 Cb 1.20 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.19 1a69 h SER 203 CO 1.17 0.12 0.34 1.51 -0.87 0.00 0.00 176.83 179.10 1a69 s ASP 204 N -6.13 -0.37 -0.20 4.97 1.47 -1.22 -4.99 116.67 110.19 1a69 s ASP 204 Ca 0.05 -0.21 -0.01 0.00 1.18 0.00 0.00 52.55 53.56 1a69 s ASP 204 Cb 0.06 0.55 0.01 0.00 -0.34 0.00 0.00 42.92 43.20 1a69 s ASP 204 CO 0.71 -0.95 -0.12 -2.28 0.68 0.00 0.00 175.17 173.20 1a69 s HIS 205 N -3.54 2.88 -0.53 2.11 2.46 -1.26 -0.13 115.29 117.28 1a69 s HIS 205 Ca 0.06 -1.36 0.16 0.00 0.47 0.00 0.00 55.06 54.39 1a69 s HIS 205 Cb -0.02 -2.01 0.78 0.00 -0.13 0.00 0.00 32.58 31.20 1a69 s HIS 205 CO -0.05 -0.70 1.48 -0.89 -2.47 0.00 0.00 174.74 172.11 1a69 n ILE 206 N 4.69 1.26 -0.03 0.89 5.41 0.15 -4.88 119.36 126.84 1a69 n ILE 206 Ca -0.19 0.55 -0.21 0.00 1.00 0.00 0.00 62.75 63.89 1a69 n ILE 206 Cb 0.50 -1.51 -0.13 0.00 -0.71 0.00 0.00 39.64 37.79 1a69 n ILE 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1a69 n ARG 207 N -1.99 0.71 -3.71 0.38 3.00 -1.26 -5.05 116.66 108.74 1a69 n ARG 207 Ca -0.00 0.29 0.01 0.00 -0.01 0.00 0.00 57.85 58.13 1a69 n ARG 207 Cb 0.07 -1.68 0.01 0.00 0.00 0.00 0.00 32.46 30.87 1a69 n ARG 207 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1a69 n THR 212 N -3.60 0.00 -3.03 0.55 -2.24 -1.26 -5.22 114.28 99.48 1a69 n THR 212 Ca -0.35 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 60.85 1a69 n THR 212 Cb 0.99 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 69.73 1a69 n THR 212 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1a69 s THR 213 N -2.06 4.64 0.13 4.28 -4.23 -1.26 -4.95 115.64 112.20 1a69 s THR 213 Ca 0.25 1.00 -0.30 0.00 -1.18 0.00 0.00 61.69 61.46 1a69 s THR 213 Cb -0.01 -3.63 -0.06 0.00 1.34 0.00 0.00 72.50 70.14 1a69 s THR 213 CO 0.01 -0.27 1.57 0.00 -0.54 0.00 0.00 174.62 175.40 1a69 h ALA 214 N 2.03 -0.63 -1.03 3.99 0.00 -2.06 -0.90 119.26 120.65 1a69 h ALA 214 Ca -0.48 -0.00 0.27 0.00 0.00 0.00 0.00 54.91 54.69 1a69 h ALA 214 Cb 1.18 0.87 -0.08 0.00 0.00 0.00 0.00 17.79 19.76 1a69 h ALA 214 CO 0.64 -0.96 0.68 0.00 0.00 0.00 0.00 179.25 179.62 1a69 h ALA 215 N 0.09 2.40 0.06 0.00 0.00 -2.00 -1.42 119.26 118.39 1a69 h ALA 215 Ca 0.08 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1a69 h ALA 215 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1a69 h ALA 215 CO -0.45 -0.77 -0.03 0.93 0.00 0.00 0.00 179.25 178.93 1a69 h GLU 216 N 0.31 -0.08 -0.03 0.00 5.08 -1.57 -2.66 114.58 115.62 1a69 h GLU 216 Ca 0.56 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.96 1a69 h GLU 216 Cb 1.58 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.80 1a69 h GLU 216 CO -0.21 0.31 -0.27 0.00 -1.00 0.00 0.00 179.01 177.84 1a69 h ARG 217 N -0.49 -0.38 -1.01 2.33 3.08 -0.75 -2.46 114.38 114.71 1a69 h ARG 217 Ca -0.01 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.22 1a69 h ARG 217 Cb 0.43 0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.47 1a69 h ARG 217 CO 0.01 -0.25 0.63 1.96 -1.07 0.00 0.00 179.97 181.25 1a69 h GLN 218 N -0.40 0.87 -0.40 0.04 4.20 -1.50 -0.53 115.11 117.40 1a69 h GLN 218 Ca 0.07 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1a69 h GLN 218 Cb 0.50 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1a69 h GLN 218 CO -0.26 0.58 0.22 1.15 -0.67 0.00 0.00 178.83 179.86 1a69 h THR 219 N 0.90 1.15 -0.55 -0.54 2.02 -1.07 -1.31 112.91 113.50 1a69 h THR 219 Ca 0.53 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 1a69 h THR 219 Cb 0.67 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1a69 h THR 219 CO -0.32 0.15 0.09 0.74 0.37 0.00 0.00 175.52 176.55 1a69 h THR 220 N 0.52 1.25 -0.65 3.16 2.02 -1.02 -1.20 112.91 116.99 1a69 h THR 220 Ca 0.14 -0.97 0.04 0.00 0.77 0.00 0.00 66.41 66.40 1a69 h THR 220 Cb 0.04 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1a69 h THR 220 CO -0.02 0.35 0.38 0.15 0.37 0.00 0.00 175.52 176.75 1a69 h PHE 221 N 0.81 0.70 -0.63 3.16 3.57 -0.88 0.07 116.94 123.74 1a69 h PHE 221 Ca 0.17 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 1a69 h PHE 221 Cb 0.41 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1a69 h PHE 221 CO 0.03 0.37 0.11 -0.91 -2.23 0.00 0.00 178.31 175.68 1a69 h ASN 222 N 0.72 0.98 -0.71 0.41 -0.26 -1.00 -2.14 115.58 113.59 1a69 h ASN 222 Ca 0.28 -0.22 0.01 0.00 -0.56 0.00 0.00 56.30 55.81 1a69 h ASN 222 Cb 0.11 -0.26 -0.04 0.00 -1.06 0.00 0.00 38.32 37.07 1a69 h ASN 222 CO -0.14 0.97 0.47 0.44 -1.06 0.00 0.00 177.43 178.10 1a69 h ASP 223 N 0.97 0.81 -0.71 5.81 3.32 -0.07 -0.96 116.42 125.59 1a69 h ASP 223 Ca 0.20 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1a69 h ASP 223 Cb 0.41 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1a69 h ASP 223 CO 0.01 0.59 0.43 -0.03 -1.72 0.00 0.00 179.24 178.52 1a69 h MET 224 N 0.96 0.97 -0.49 3.56 1.85 -0.61 -0.84 114.93 120.33 1a69 h MET 224 Ca 0.26 -0.09 -0.03 0.00 -0.61 0.00 0.00 59.70 59.24 1a69 h MET 224 Cb -0.11 -0.20 -0.02 0.00 0.43 0.00 0.00 31.60 31.70 1a69 h MET 224 CO -0.06 0.68 0.20 0.82 -0.40 0.00 0.00 176.91 178.16 1a69 h ILE 225 N 0.97 1.21 -0.91 1.77 1.08 -0.80 -1.78 117.51 119.04 1a69 h ILE 225 Ca 0.26 -0.63 0.01 0.00 -0.39 0.00 0.00 64.86 64.11 1a69 h ILE 225 Cb -0.04 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 34.37 1a69 h ILE 225 CO -0.05 0.24 0.60 0.50 -0.69 0.00 0.00 178.15 178.75 1a69 h LYS 226 N 0.65 1.18 -0.34 2.37 3.64 -0.80 0.37 116.57 123.63 1a69 h LYS 226 Ca 0.16 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1a69 h LYS 226 Cb 0.18 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1a69 h LYS 226 CO -0.02 0.78 0.19 0.82 -2.27 0.00 0.00 179.45 178.96 1a69 h ILE 227 N 1.22 1.02 0.02 2.00 2.04 -0.78 0.21 117.51 123.23 1a69 h ILE 227 Ca 0.34 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 1a69 h ILE 227 Cb -0.12 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1a69 h ILE 227 CO -0.08 0.07 -0.01 0.00 0.00 0.00 0.00 178.15 178.14 1a69 h ALA 228 N 1.16 -0.02 -0.26 1.87 0.00 -0.60 0.60 119.26 122.01 1a69 h ALA 228 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1a69 h ALA 228 Cb 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1a69 h ALA 228 CO -0.07 -0.51 0.16 -0.07 0.00 0.00 0.00 179.25 178.76 1a69 h LEU 229 N -0.03 0.30 -0.72 0.00 3.38 -0.65 -2.69 115.31 114.90 1a69 h LEU 229 Ca -0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1a69 h LEU 229 Cb 0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1a69 h LEU 229 CO 0.00 0.24 0.24 -0.33 0.09 0.00 0.00 178.44 178.69 1a69 h GLU 230 N 0.34 1.12 -0.48 1.13 4.39 -0.49 -2.54 114.58 118.05 1a69 h GLU 230 Ca 0.09 -0.23 0.06 0.00 0.34 0.00 0.00 59.36 59.62 1a69 h GLU 230 Cb -0.01 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 1a69 h GLU 230 CO -0.02 0.95 0.32 0.66 -1.16 0.00 0.00 179.01 179.76 1a69 h SER 231 N 1.06 0.34 -0.38 1.42 4.64 -0.63 -1.43 113.55 118.58 1a69 h SER 231 Ca 0.24 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.49 1a69 h SER 231 Cb 0.29 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1a69 h SER 231 CO -0.01 0.22 -0.00 0.58 -0.87 0.00 0.00 176.83 176.75 1a69 h VAL 232 N 0.39 1.26 -0.76 0.95 2.07 -1.14 -1.87 116.25 117.15 1a69 h VAL 232 Ca 0.21 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1a69 h VAL 232 Cb 0.33 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1a69 h VAL 232 CO -0.05 0.34 0.47 -0.07 0.02 0.00 0.00 177.57 178.28 1a69 h LEU 233 N 0.50 0.90 -0.70 2.57 3.38 -1.21 -1.30 115.31 119.45 1a69 h LEU 233 Ca 0.11 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1a69 h LEU 233 Cb 0.47 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1a69 h LEU 233 CO 0.02 0.69 0.45 -0.07 0.09 0.00 0.00 178.44 179.62 1a69 h LEU 234 N 1.04 0.75 -1.34 1.67 4.07 -1.12 -2.14 115.31 118.24 1a69 h LEU 234 Ca 0.27 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 58.16 1a69 h LEU 234 Cb -0.06 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 1a69 h LEU 234 CO -0.05 0.52 -0.33 1.23 -1.08 0.00 0.00 178.44 178.73 1a69 h GLY 235 N 0.89 0.00 2.00 0.83 0.00 -0.67 -2.68 103.07 103.43 1a69 h GLY 235 Ca 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 1a69 h GLY 235 CO -0.10 0.00 -0.18 -0.55 0.00 0.00 0.00 176.54 175.71 1a69 h ASP 236 N 0.00 0.00 -0.03 0.19 3.32 -0.56 -3.51 116.42 115.83 1a69 h ASP 236 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1a69 h ASP 236 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1a69 h ASP 236 CO 0.04 0.18 0.00 0.29 -1.72 0.00 0.00 179.24 178.03