#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8j s ASP 2 N 0.00 6.24 -0.28 8.00 1.01 -1.26 -5.01 116.67 125.37 1i8j s ASP 2 Ca 0.00 -0.32 -0.06 0.00 0.71 0.00 0.00 52.55 52.88 1i8j s ASP 2 Cb 0.00 -2.24 0.14 0.00 1.01 0.00 0.00 42.92 41.84 1i8j s ASP 2 CO 0.00 -0.49 0.57 -0.76 0.21 0.00 0.00 175.17 174.69 1i8j s LEU 3 N 2.23 -1.08 -0.06 1.23 1.43 -1.26 -5.02 118.68 116.16 1i8j s LEU 3 Ca 0.15 1.12 0.06 0.00 -1.03 0.00 0.00 54.13 54.43 1i8j s LEU 3 Cb -0.16 1.97 -0.24 0.00 0.03 0.00 0.00 46.19 47.79 1i8j s LEU 3 CO 0.13 -0.24 0.61 0.16 0.23 0.00 0.00 176.35 177.24 1i8j h ILE 4 N 6.05 0.83 -3.58 -0.59 -0.00 -2.11 -3.43 117.51 114.67 1i8j h ILE 4 Ca -0.19 -2.63 -0.63 0.00 -0.00 0.00 0.00 64.86 61.41 1i8j h ILE 4 Cb 1.13 2.48 -0.13 0.00 -0.00 0.00 0.00 36.82 40.29 1i8j h ILE 4 CO 0.17 0.64 0.23 -1.10 -0.00 0.00 0.00 178.15 178.09 1i8j s GLN 5 N -2.59 3.50 -0.44 0.16 -1.52 -1.26 -5.01 119.66 112.51 1i8j s GLN 5 Ca -0.10 -0.07 0.02 0.00 -1.95 0.00 0.00 55.36 53.26 1i8j s GLN 5 Cb 0.08 -3.88 0.14 0.00 -0.22 0.00 0.00 33.01 29.12 1i8j s GLN 5 CO 0.81 -0.93 0.24 1.03 -0.25 0.00 0.00 175.29 176.19 1i8j s ARG 6 N 2.95 1.24 0.54 2.91 0.52 -1.26 -5.01 118.95 120.84 1i8j s ARG 6 Ca 0.26 -1.98 0.33 0.00 -0.52 0.00 0.00 55.73 53.82 1i8j s ARG 6 Cb -0.14 -2.25 1.50 0.00 0.52 0.00 0.00 34.95 34.58 1i8j s ARG 6 CO 0.18 -1.17 1.87 -1.35 0.02 0.00 0.00 175.30 174.85 1i8j h PRO 7 N 6.70 0.00 0.00 3.54 0.11 -2.02 -1.16 132.00 139.18 1i8j h PRO 7 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1i8j h PRO 7 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1i8j h PRO 7 CO 0.47 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.26 1i8j h ARG 8 N 0.00 0.00 -0.65 1.05 3.08 -1.99 -3.12 114.38 112.75 1i8j h ARG 8 Ca 0.46 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.61 1i8j h ARG 8 Cb 1.85 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.82 1i8j h ARG 8 CO -0.00 0.00 0.26 0.00 -1.07 0.00 0.00 179.97 179.15 1i8j h ARG 9 N 0.00 0.43 -0.39 0.04 3.08 -1.65 -0.64 114.38 115.24 1i8j h ARG 9 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1i8j h ARG 9 Cb 0.29 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1i8j h ARG 9 CO 0.00 0.28 0.00 1.28 -1.07 0.00 0.00 179.97 180.46 1i8j n LEU 10 N -4.98 1.69 -0.38 3.04 4.77 -1.18 -3.67 117.00 116.30 1i8j n LEU 10 Ca 0.10 -0.85 0.05 0.00 -0.03 0.00 0.00 56.01 55.28 1i8j n LEU 10 Cb 0.30 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1i8j n LEU 10 CO 0.22 0.36 0.37 0.54 -1.33 0.00 0.00 177.39 177.55 1i8j n ARG 11 N 0.26 0.78 -0.15 3.23 1.74 -0.26 -3.65 116.66 118.63 1i8j n ARG 11 Ca 0.09 -1.02 0.11 0.00 -0.77 0.00 0.00 57.85 56.27 1i8j n ARG 11 Cb 0.30 -1.18 0.45 0.00 -1.02 0.00 0.00 32.46 31.02 1i8j n ARG 11 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1i8j h LYS 12 N 1.86 0.51 -4.20 5.56 1.79 -1.61 -3.45 116.57 117.02 1i8j h LYS 12 Ca 0.00 -0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.29 1i8j h LYS 12 Cb 0.41 -0.12 -0.14 0.00 -1.58 0.00 0.00 32.23 30.81 1i8j h LYS 12 CO 0.00 0.34 -0.52 -1.54 -1.08 0.00 0.00 179.45 176.64 1i8j s SER 13 N -6.11 0.22 0.27 0.86 1.04 -1.26 -5.04 113.70 103.67 1i8j s SER 13 Ca -0.08 -1.06 -0.04 0.00 0.48 0.00 0.00 55.95 55.25 1i8j s SER 13 Cb 0.20 0.34 0.33 0.00 0.10 0.00 0.00 66.02 66.99 1i8j s SER 13 CO 0.76 -0.78 1.94 -0.65 0.98 0.00 0.00 173.24 175.49 1i8j h PRO 14 N 2.77 1.24 -0.24 4.02 0.11 -1.97 -0.94 132.00 136.98 1i8j h PRO 14 Ca -0.34 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 1i8j h PRO 14 Cb 1.21 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1i8j h PRO 14 CO 0.56 0.82 0.07 0.00 -0.21 0.00 0.00 178.00 179.24 1i8j h ALA 15 N 1.41 0.32 -0.76 -0.75 0.00 -1.98 -1.94 119.26 115.56 1i8j h ALA 15 Ca 0.36 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1i8j h ALA 15 Cb -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1i8j h ALA 15 CO -0.09 -0.04 0.36 -0.07 0.00 0.00 0.00 179.25 179.41 1i8j h LEU 16 N 0.22 0.99 -0.83 0.00 3.38 -1.80 -1.24 115.31 116.03 1i8j h LEU 16 Ca 0.08 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1i8j h LEU 16 Cb 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1i8j h LEU 16 CO -0.00 0.84 -0.32 0.03 0.09 0.00 0.00 178.44 179.07 1i8j h ARG 17 N 1.08 0.50 -0.26 1.13 3.08 -1.02 -2.41 114.38 116.48 1i8j h ARG 17 Ca 0.26 -0.22 -0.19 0.00 0.07 0.00 0.00 59.98 59.91 1i8j h ARG 17 Cb 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1i8j h ARG 17 CO -0.03 0.76 -0.58 0.00 -1.07 0.00 0.00 179.97 179.05 1i8j h ALA 18 N 1.23 0.42 -0.20 0.04 0.00 -1.13 -2.03 119.26 117.58 1i8j h ALA 18 Ca 0.05 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1i8j h ALA 18 Cb 0.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1i8j h ALA 18 CO 0.06 0.66 -0.10 0.52 0.00 0.00 0.00 179.25 180.39 1i8j h MET 19 N 0.62 0.31 -0.59 0.00 2.86 -1.07 -2.98 114.93 114.09 1i8j h MET 19 Ca 0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1i8j h MET 19 Cb 1.19 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1i8j h MET 19 CO 0.13 0.42 0.00 1.19 1.06 0.00 0.00 176.91 179.71 1i8j n PHE 20 N -4.27 0.92 -2.05 -0.22 3.72 -0.92 -4.96 117.46 109.68 1i8j n PHE 20 Ca -0.00 -0.54 -0.42 0.00 -0.05 0.00 0.00 57.45 56.44 1i8j n PHE 20 Cb 0.26 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 1i8j n PHE 20 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1i8j s GLU 21 N -1.24 4.21 0.17 -1.08 2.12 -0.77 -4.92 118.70 117.20 1i8j s GLU 21 Ca 0.42 2.15 0.05 0.00 0.36 0.00 0.00 54.97 57.95 1i8j s GLU 21 Cb 0.23 -3.79 0.01 0.00 0.26 0.00 0.00 34.13 30.85 1i8j s GLU 21 CO 0.26 -0.75 1.40 0.93 -0.54 0.00 0.00 175.26 176.55 1i8j h GLU 22 N 8.80 0.09 -6.67 4.30 5.08 -1.91 -3.46 114.58 120.82 1i8j h GLU 22 Ca -0.39 -0.11 -0.69 0.00 -1.00 0.00 0.00 59.36 57.17 1i8j h GLU 22 Cb 1.18 0.03 -0.23 0.00 0.50 0.00 0.00 28.75 30.23 1i8j h GLU 22 CO 0.94 0.89 -0.83 0.99 -1.00 0.00 0.00 179.01 180.00 1i8j s THR 23 N -3.14 2.54 0.04 1.13 2.01 -1.26 -5.12 115.64 111.84 1i8j s THR 23 Ca -0.01 -1.32 0.07 0.00 0.31 0.00 0.00 61.69 60.74 1i8j s THR 23 Cb 0.11 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 1i8j s THR 23 CO 0.81 0.31 -0.21 0.42 -0.69 0.00 0.00 174.62 175.26 1i8j s THR 24 N -0.91 1.70 -0.07 -0.82 -4.23 -1.26 -5.07 115.64 104.98 1i8j s THR 24 Ca 0.14 -1.21 0.04 0.00 -1.18 0.00 0.00 61.69 59.48 1i8j s THR 24 Cb -0.10 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.26 1i8j s THR 24 CO 0.05 0.22 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.93 1i8j s LEU 25 N -1.17 1.93 0.35 4.79 2.96 -1.26 -4.95 118.68 121.33 1i8j s LEU 25 Ca 0.08 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1i8j s LEU 25 Cb -0.09 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.44 1i8j s LEU 25 CO 0.02 0.14 0.17 -0.94 -1.32 0.00 0.00 176.35 174.42 1i8j s SER 26 N 0.23 2.11 0.31 3.68 1.04 -1.26 -4.90 113.70 114.91 1i8j s SER 26 Ca -0.10 -1.65 0.10 0.00 0.48 0.00 0.00 55.95 54.78 1i8j s SER 26 Cb -0.15 0.47 0.51 0.00 0.10 0.00 0.00 66.02 66.95 1i8j s SER 26 CO 0.05 -0.94 1.71 0.25 0.98 0.00 0.00 173.24 175.28 1i8j h LEU 27 N 2.01 0.06 0.00 2.42 6.46 -1.27 -2.84 115.31 122.15 1i8j h LEU 27 Ca -0.32 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.41 1i8j h LEU 27 Cb 1.26 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 1i8j h LEU 27 CO 0.51 0.54 0.00 0.59 -0.62 0.00 0.00 178.44 179.46 1i8j n ASN 28 N -3.96 0.00 0.09 1.25 4.13 -1.26 -1.93 115.26 113.58 1i8j n ASN 28 Ca -0.02 0.31 0.13 0.00 1.68 0.00 0.00 54.58 56.68 1i8j n ASN 28 Cb 0.51 -0.40 0.34 0.00 -1.54 0.00 0.00 39.78 38.69 1i8j n ASN 28 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1i8j n ASP 29 N -1.40 0.78 -4.83 6.41 8.00 -1.07 -4.91 116.55 119.53 1i8j n ASP 29 Ca 0.05 0.44 -0.37 0.00 0.71 0.00 0.00 54.79 55.62 1i8j n ASP 29 Cb 0.14 -0.52 -0.06 0.00 -0.02 0.00 0.00 41.12 40.66 1i8j n ASP 29 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1i8j s LEU 30 N -4.44 4.36 -0.10 0.64 1.43 -0.81 0.14 118.68 119.89 1i8j s LEU 30 Ca 0.09 0.51 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1i8j s LEU 30 Cb 0.13 -2.19 -0.00 0.00 0.03 0.00 0.00 46.19 44.16 1i8j s LEU 30 CO 0.63 0.32 -0.24 -0.69 0.23 0.00 0.00 176.35 176.61 1i8j s VAL 31 N -0.62 2.10 -0.35 -1.59 1.01 0.08 -4.50 120.40 116.52 1i8j s VAL 31 Ca 0.15 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.98 1i8j s VAL 31 Cb -0.13 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1i8j s VAL 31 CO 0.04 0.56 0.35 -0.22 0.00 0.00 0.00 175.10 175.83 1i8j s LEU 32 N 0.34 4.49 0.27 3.92 2.96 -0.45 -1.81 118.68 128.40 1i8j s LEU 32 Ca -0.19 -0.30 -0.29 0.00 -0.22 0.00 0.00 54.13 53.13 1i8j s LEU 32 Cb -0.18 -2.31 -0.09 0.00 0.50 0.00 0.00 46.19 44.11 1i8j s LEU 32 CO 0.09 -0.34 1.14 -2.84 -1.32 0.00 0.00 176.35 173.08 1i8j s PRO 33 N 1.97 4.58 0.01 0.98 0.02 -1.26 -1.74 135.00 139.55 1i8j s PRO 33 Ca 0.11 1.87 0.04 0.00 0.02 0.00 0.00 61.00 63.03 1i8j s PRO 33 Cb -0.17 -3.18 -0.01 0.00 0.02 0.00 0.00 34.50 31.16 1i8j s PRO 33 CO 0.12 0.12 -0.12 0.96 -0.33 0.00 0.00 177.00 177.74 1i8j s ILE 34 N -1.01 0.94 -0.22 2.83 -4.36 -0.17 -4.88 121.20 114.34 1i8j s ILE 34 Ca 0.46 -0.64 -0.06 0.00 -0.26 0.00 0.00 60.65 60.16 1i8j s ILE 34 Cb -0.33 -0.81 -0.02 0.00 1.25 0.00 0.00 42.46 42.54 1i8j s ILE 34 CO 0.42 0.17 0.01 -0.36 0.24 0.00 0.00 174.94 175.42 1i8j s PHE 35 N -0.45 3.04 -0.19 1.37 0.08 -1.26 -2.13 117.98 118.44 1i8j s PHE 35 Ca 0.03 -0.51 -0.01 0.00 0.12 0.00 0.00 56.93 56.56 1i8j s PHE 35 Cb -0.05 -2.13 0.01 0.00 -0.57 0.00 0.00 43.02 40.27 1i8j s PHE 35 CO 0.00 -0.31 -0.14 0.08 -0.10 0.00 0.00 175.22 174.75 1i8j s VAL 36 N 1.22 2.64 -0.20 -0.44 1.01 -0.44 0.20 120.40 124.40 1i8j s VAL 36 Ca 0.04 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 1i8j s VAL 36 Cb -0.15 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1i8j s VAL 36 CO 0.01 0.50 0.01 -0.70 0.00 0.00 0.00 175.10 174.92 1i8j s GLU 37 N 1.22 3.67 1.12 2.72 2.12 -0.00 -0.44 118.70 129.11 1i8j s GLU 37 Ca 0.02 -0.49 -0.19 0.00 0.36 0.00 0.00 54.97 54.67 1i8j s GLU 37 Cb -0.14 -3.11 0.26 0.00 0.26 0.00 0.00 34.13 31.41 1i8j s GLU 37 CO -0.06 0.05 1.22 -1.83 -0.54 0.00 0.00 175.26 174.09 1i8j s GLU 38 N 0.92 -0.63 -0.64 4.30 -1.05 -1.19 -1.32 118.70 119.08 1i8j s GLU 38 Ca 0.02 -0.31 -0.03 0.00 -0.15 0.00 0.00 54.97 54.50 1i8j s GLU 38 Cb -0.14 -1.69 0.03 0.00 -0.44 0.00 0.00 34.13 31.89 1i8j s GLU 38 CO 0.02 -3.28 0.07 0.39 0.95 0.00 0.00 175.26 173.41 1i8j n GLU 39 N -4.40 -0.95 -4.12 -4.83 1.02 -1.26 -4.84 120.64 101.26 1i8j n GLU 39 Ca 0.15 0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 57.25 1i8j n GLU 39 Cb 0.60 -1.53 -0.10 0.00 -0.02 0.00 0.00 31.44 30.39 1i8j n GLU 39 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1i8j s ILE 40 N -3.06 0.16 -0.08 -3.67 -4.36 -1.26 -5.11 121.20 103.82 1i8j s ILE 40 Ca 0.10 -1.85 0.05 0.00 -0.26 0.00 0.00 60.65 58.68 1i8j s ILE 40 Cb -0.06 -1.78 -0.09 0.00 1.25 0.00 0.00 42.46 41.79 1i8j s ILE 40 CO 0.39 -0.73 -0.01 0.47 0.24 0.00 0.00 174.94 175.31 1i8j n ASP 41 N 0.01 3.13 -4.63 4.36 8.00 -1.26 -4.58 116.55 121.57 1i8j n ASP 41 Ca -0.10 -0.02 -0.25 0.00 0.71 0.00 0.00 54.79 55.14 1i8j n ASP 41 Cb 0.62 0.41 -0.08 0.00 -0.02 0.00 0.00 41.12 42.06 1i8j n ASP 41 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1i8j s ASP 42 N -4.28 4.56 0.29 -2.24 1.01 -1.26 -4.89 116.67 109.85 1i8j s ASP 42 Ca -0.07 -0.54 -0.29 0.00 0.71 0.00 0.00 52.55 52.35 1i8j s ASP 42 Cb 0.03 -0.87 -0.10 0.00 1.01 0.00 0.00 42.92 42.98 1i8j s ASP 42 CO 0.29 0.05 1.43 -0.31 0.21 0.00 0.00 175.17 176.85 1i8j s TYR 43 N -1.98 2.95 -0.14 4.23 1.51 -1.26 -4.59 117.35 118.08 1i8j s TYR 43 Ca 0.29 1.10 -0.04 0.00 -1.01 0.00 0.00 57.07 57.40 1i8j s TYR 43 Cb -0.08 -3.84 -0.03 0.00 -0.11 0.00 0.00 41.96 37.90 1i8j s TYR 43 CO 0.18 -2.63 -0.00 0.15 -1.11 0.00 0.00 175.55 172.14 1i8j s LYS 44 N -0.88 3.49 0.27 -0.62 1.02 -1.00 -4.91 119.74 117.11 1i8j s LYS 44 Ca 0.57 -0.44 -0.29 0.00 0.02 0.00 0.00 55.97 55.83 1i8j s LYS 44 Cb -0.43 -2.94 -0.09 0.00 -0.52 0.00 0.00 37.83 33.85 1i8j s LYS 44 CO 0.48 0.42 0.97 0.00 -0.92 0.00 0.00 175.35 176.30 1i8j s ALA 45 N -0.11 3.31 -0.35 5.17 0.00 -1.26 0.47 121.76 128.99 1i8j s ALA 45 Ca 0.04 0.64 -0.15 0.00 0.00 0.00 0.00 51.96 52.48 1i8j s ALA 45 Cb -0.13 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1i8j s ALA 45 CO 0.02 0.14 0.37 0.08 0.00 0.00 0.00 175.76 176.37 1i8j s VAL 46 N -1.29 5.16 0.12 0.00 1.01 0.14 -4.87 120.40 120.67 1i8j s VAL 46 Ca 0.44 -0.03 -0.23 0.00 0.00 0.00 0.00 61.98 62.17 1i8j s VAL 46 Cb -0.25 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 1i8j s VAL 46 CO 0.31 -0.14 1.69 -0.33 0.00 0.00 0.00 175.10 176.62 1i8j h GLU 47 N 8.50 -0.17 0.00 2.72 4.39 -1.95 -2.55 114.58 125.52 1i8j h GLU 47 Ca -0.29 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1i8j h GLU 47 Cb 1.14 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1i8j h GLU 47 CO 0.71 -0.11 0.00 0.00 -1.16 0.00 0.00 179.01 178.45 1i8j n ALA 48 N -2.43 1.90 -3.57 3.43 0.00 -1.26 -4.03 120.51 114.55 1i8j n ALA 48 Ca -0.05 -0.04 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 1i8j n ALA 48 Cb 0.17 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.17 1i8j n ALA 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1i8j n MET 49 N -1.70 1.23 -1.61 0.00 2.81 -0.96 -4.64 117.12 112.24 1i8j n MET 49 Ca 0.04 -3.91 -0.53 0.00 -1.81 0.00 0.00 57.70 51.49 1i8j n MET 49 Cb 0.25 -1.94 -0.06 0.00 -0.71 0.00 0.00 33.22 30.76 1i8j n MET 49 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1i8j n PRO 50 N 2.03 1.11 0.00 0.03 -0.02 -1.23 -1.34 135.00 135.59 1i8j n PRO 50 Ca 0.25 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1i8j n PRO 50 Cb 0.43 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1i8j n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i8j n GLY 51 N 2.85 2.08 3.80 -1.23 0.00 -1.26 -5.05 105.19 106.37 1i8j n GLY 51 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1i8j n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i8j s VAL 52 N -2.50 5.43 0.03 1.61 1.01 -0.45 -5.03 120.40 120.50 1i8j s VAL 52 Ca 0.00 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1i8j s VAL 52 Cb 0.00 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1i8j s VAL 52 CO 0.00 0.52 -0.05 -0.04 0.00 0.00 0.00 175.10 175.53 1i8j s MET 53 N -0.28 0.39 0.16 2.72 -1.94 -1.26 0.27 119.30 119.36 1i8j s MET 53 Ca 0.12 -0.59 -0.30 0.00 -1.71 0.00 0.00 55.69 53.21 1i8j s MET 53 Cb -0.12 -0.12 -0.08 0.00 2.01 0.00 0.00 34.83 36.53 1i8j s MET 53 CO 0.02 0.01 1.27 1.03 -0.01 0.00 0.00 175.02 177.34 1i8j s ARG 54 N -1.28 4.41 -0.19 2.03 0.52 0.18 -4.60 118.95 120.01 1i8j s ARG 54 Ca -0.11 1.96 -0.15 0.00 -0.52 0.00 0.00 55.73 56.92 1i8j s ARG 54 Cb -0.09 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 1i8j s ARG 54 CO -0.00 -0.24 0.36 0.42 0.02 0.00 0.00 175.30 175.86 1i8j s ILE 55 N 0.38 5.23 0.23 1.52 1.01 0.13 -2.38 121.20 127.32 1i8j s ILE 55 Ca 0.57 0.65 -0.30 0.00 0.00 0.00 0.00 60.65 61.57 1i8j s ILE 55 Cb -0.34 -3.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 1i8j s ILE 55 CO 0.35 0.29 1.30 -2.84 0.00 0.00 0.00 174.94 174.03 1i8j s PRO 56 N 1.09 4.40 0.33 2.79 0.02 -1.26 -0.82 135.00 141.54 1i8j s PRO 56 Ca 0.18 2.07 0.11 0.00 0.02 0.00 0.00 61.00 63.37 1i8j s PRO 56 Cb -0.14 -3.17 0.99 0.00 0.02 0.00 0.00 34.50 32.19 1i8j s PRO 56 CO 0.07 -0.21 1.64 1.49 -0.33 0.00 0.00 177.00 179.66 1i8j h GLU 57 N 4.92 0.20 -0.03 5.54 4.81 -1.45 0.76 114.58 129.33 1i8j h GLU 57 Ca -0.46 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1i8j h GLU 57 Cb 1.22 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1i8j h GLU 57 CO 0.75 0.14 0.03 1.57 -0.73 0.00 0.00 179.01 180.76 1i8j h LYS 58 N 0.21 0.00 -0.52 1.92 2.10 -1.86 -1.81 116.57 116.60 1i8j h LYS 58 Ca 0.69 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.34 1i8j h LYS 58 Cb 1.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.89 1i8j h LYS 58 CO -0.68 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 177.49 1i8j n HIS 59 N -4.29 0.69 -0.14 0.07 8.25 0.26 -4.49 115.22 115.58 1i8j n HIS 59 Ca -0.02 -0.35 -0.10 0.00 -0.26 0.00 0.00 57.72 56.99 1i8j n HIS 59 Cb 0.12 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1i8j n HIS 59 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1i8j h LEU 60 N 4.44 0.65 -1.18 2.41 5.85 -1.01 -1.30 115.31 125.16 1i8j h LEU 60 Ca 0.00 -0.28 0.18 0.00 0.84 0.00 0.00 57.88 58.62 1i8j h LEU 60 Cb 0.99 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.76 1i8j h LEU 60 CO 0.00 0.77 0.61 0.00 -0.34 0.00 0.00 178.44 179.47 1i8j h ALA 61 N 0.91 1.82 -0.09 1.25 0.00 -1.79 0.15 119.26 121.52 1i8j h ALA 61 Ca 0.12 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1i8j h ALA 61 Cb 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1i8j h ALA 61 CO 0.01 -0.14 -0.07 -0.09 0.00 0.00 0.00 179.25 178.96 1i8j h ARG 62 N 0.69 0.21 -0.24 0.00 2.43 -1.75 -3.06 114.38 112.66 1i8j h ARG 62 Ca 0.52 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.53 1i8j h ARG 62 Cb 0.90 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1i8j h ARG 62 CO -0.28 0.61 -0.09 0.93 -1.51 0.00 0.00 179.97 179.62 1i8j h GLU 63 N -0.20 0.49 0.00 0.20 4.39 -0.31 -2.00 114.58 117.15 1i8j h GLU 63 Ca 0.02 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 1i8j h GLU 63 Cb 0.57 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1i8j h GLU 63 CO 0.02 0.74 -0.02 0.97 -1.16 0.00 0.00 179.01 179.56 1i8j h ILE 64 N 0.22 0.11 0.23 3.13 6.09 -0.84 0.14 117.51 126.59 1i8j h ILE 64 Ca 0.06 -0.25 -0.32 0.00 -1.37 0.00 0.00 64.86 62.97 1i8j h ILE 64 Cb 0.58 1.22 0.03 0.00 0.47 0.00 0.00 36.82 39.12 1i8j h ILE 64 CO 0.03 0.02 -1.43 -0.08 -3.07 0.00 0.00 178.15 173.63 1i8j h GLU 65 N 0.00 0.49 -0.04 2.19 4.81 -1.41 -2.15 114.58 118.47 1i8j h GLU 65 Ca -0.00 -0.83 -0.01 0.00 -0.13 0.00 0.00 59.36 58.39 1i8j h GLU 65 Cb 0.22 0.31 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1i8j h GLU 65 CO 0.00 1.40 0.01 -0.09 -0.73 0.00 0.00 179.01 179.59 1i8j h ARG 66 N 0.14 0.07 -0.02 1.92 2.43 -0.43 0.10 114.38 118.59 1i8j h ARG 66 Ca -0.23 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.95 1i8j h ARG 66 Cb 2.12 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 31.62 1i8j h ARG 66 CO 0.26 0.32 -0.26 0.82 -1.51 0.00 0.00 179.97 179.60 1i8j h ILE 67 N -0.18 0.40 -0.60 1.20 2.04 -0.87 -0.54 117.51 118.96 1i8j h ILE 67 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 1i8j h ILE 67 Cb 0.28 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1i8j h ILE 67 CO 0.00 0.00 0.29 0.00 0.00 0.00 0.00 178.15 178.44 1i8j h ALA 68 N 0.44 1.39 -0.64 1.87 0.00 -1.35 -2.25 119.26 118.73 1i8j h ALA 68 Ca 0.07 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1i8j h ALA 68 Cb 0.49 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1i8j h ALA 68 CO -0.24 0.48 0.07 -0.91 0.00 0.00 0.00 179.25 178.65 1i8j h ASN 69 N 0.84 1.03 0.03 0.00 2.35 -0.01 -2.57 115.58 117.25 1i8j h ASN 69 Ca 0.21 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1i8j h ASN 69 Cb 0.08 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1i8j h ASN 69 CO -0.03 1.04 0.00 0.00 -1.65 0.00 0.00 177.43 176.79 1i8j h ALA 70 N 1.08 1.00 0.00 -0.83 0.00 -0.51 -3.46 119.26 116.54 1i8j h ALA 70 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1i8j h ALA 70 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1i8j h ALA 70 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1i8j n GLY 71 N -1.10 0.72 3.72 0.00 0.00 -0.97 -4.53 105.19 103.03 1i8j n GLY 71 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1i8j n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i8j s ILE 72 N -2.00 2.07 -0.74 -0.61 -1.09 -1.14 -4.90 121.20 112.79 1i8j s ILE 72 Ca 0.00 0.05 0.22 0.00 -2.23 0.00 0.00 60.65 58.69 1i8j s ILE 72 Cb 0.00 -3.03 -0.17 0.00 -1.58 0.00 0.00 42.46 37.68 1i8j s ILE 72 CO 0.00 0.00 0.97 -1.14 -1.23 0.00 0.00 174.94 173.54 1i8j n ARG 73 N 3.85 0.19 -3.48 2.79 0.63 -1.26 -4.48 116.66 114.90 1i8j n ARG 73 Ca 0.15 -0.02 -0.14 0.00 -0.92 0.00 0.00 57.85 56.91 1i8j n ARG 73 Cb 0.36 -1.54 -0.04 0.00 0.45 0.00 0.00 32.46 31.69 1i8j n ARG 73 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1i8j s SER 74 N -3.53 -0.58 0.08 6.15 0.15 -1.26 -2.12 113.70 112.59 1i8j s SER 74 Ca 0.05 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1i8j s SER 74 Cb 0.15 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.96 1i8j s SER 74 CO 0.83 -0.73 -0.03 0.68 1.20 0.00 0.00 173.24 175.19 1i8j s VAL 75 N -2.30 0.39 -0.15 4.45 -7.23 -0.64 -1.34 120.40 113.57 1i8j s VAL 75 Ca -0.05 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 1i8j s VAL 75 Cb -0.00 -1.68 0.02 0.00 0.56 0.00 0.00 36.38 35.28 1i8j s VAL 75 CO -0.01 -0.86 -0.15 -0.32 -0.31 0.00 0.00 175.10 173.46 1i8j s MET 76 N -3.91 2.40 -0.01 4.82 1.75 -0.71 -1.05 119.30 122.59 1i8j s MET 76 Ca 0.12 -0.60 -0.16 0.00 -1.25 0.00 0.00 55.69 53.79 1i8j s MET 76 Cb 0.07 -2.18 -0.06 0.00 2.84 0.00 0.00 34.83 35.50 1i8j s MET 76 CO -0.06 -0.24 0.46 0.95 -0.65 0.00 0.00 175.02 175.48 1i8j s THR 77 N 1.46 4.99 -0.08 10.11 -4.23 -0.73 -1.00 115.64 126.16 1i8j s THR 77 Ca 0.05 0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 61.49 1i8j s THR 77 Cb -0.13 -3.77 0.03 0.00 1.34 0.00 0.00 72.50 69.97 1i8j s THR 77 CO -0.11 0.53 -0.02 -0.36 -0.54 0.00 0.00 174.62 174.12 1i8j s PHE 78 N -0.77 0.84 0.03 3.99 0.08 -0.91 -1.98 117.98 119.27 1i8j s PHE 78 Ca 0.25 -0.29 -0.00 0.00 0.12 0.00 0.00 56.93 57.01 1i8j s PHE 78 Cb -0.17 -0.89 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 1i8j s PHE 78 CO 0.14 -0.36 0.15 0.20 -0.10 0.00 0.00 175.22 175.25 1i8j s GLY 79 N 1.87 2.11 -0.42 4.36 0.00 -1.26 -1.32 107.32 112.66 1i8j s GLY 79 Ca 0.04 -0.86 -0.12 0.00 0.00 0.00 0.00 44.72 43.78 1i8j s GLY 79 CO -0.06 -0.80 0.28 -0.42 0.00 0.00 0.00 173.10 172.10 1i8j s ILE 80 N -1.37 4.63 0.30 0.90 1.09 0.42 -4.89 121.20 122.28 1i8j s ILE 80 Ca 0.29 -1.12 -0.28 0.00 -1.10 0.00 0.00 60.65 58.44 1i8j s ILE 80 Cb -0.13 -3.73 -0.09 0.00 -1.06 0.00 0.00 42.46 37.46 1i8j s ILE 80 CO 0.21 -0.43 1.04 -0.55 -0.10 0.00 0.00 174.94 175.11 1i8j s SER 81 N 2.03 7.25 -0.09 3.58 0.15 -1.25 -3.19 113.70 122.18 1i8j s SER 81 Ca 0.03 2.12 0.14 0.00 0.70 0.00 0.00 55.95 58.93 1i8j s SER 81 Cb -0.22 -2.61 0.22 0.00 -1.71 0.00 0.00 66.02 61.70 1i8j s SER 81 CO 0.05 -0.14 1.12 1.41 1.20 0.00 0.00 173.24 176.88 1i8j n HIS 82 N 0.94 0.05 -2.68 3.44 8.25 -1.26 -4.65 115.22 119.32 1i8j n HIS 82 Ca 0.00 -0.85 -0.06 0.00 -0.26 0.00 0.00 57.72 56.55 1i8j n HIS 82 Cb 0.47 -0.13 0.04 0.00 1.12 0.00 0.00 29.99 31.49 1i8j n HIS 82 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1i8j n HIS 83 N -1.11 1.52 -2.08 4.41 8.25 -1.26 -5.12 115.22 119.83 1i8j n HIS 83 Ca 0.12 -2.34 -0.33 0.00 -0.26 0.00 0.00 57.72 54.91 1i8j n HIS 83 Cb 0.54 -0.27 0.01 0.00 1.12 0.00 0.00 29.99 31.39 1i8j n HIS 83 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1i8j s THR 84 N -3.83 3.74 0.00 1.59 -4.23 -1.26 -4.56 115.64 107.08 1i8j s THR 84 Ca 0.31 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.68 1i8j s THR 84 Cb 0.37 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1i8j s THR 84 CO -0.02 -0.45 0.00 -0.90 -0.54 0.00 0.00 174.62 172.71 1i8j n ASP 85 N -1.93 0.00 -0.10 3.99 5.75 -0.73 -4.75 116.55 118.78 1i8j n ASP 85 Ca 0.09 -0.36 -0.09 0.00 -0.01 0.00 0.00 54.79 54.42 1i8j n ASP 85 Cb 0.53 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.68 1i8j n ASP 85 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1i8j h GLU 86 N 0.00 0.84 -0.01 0.11 4.39 -1.95 0.50 114.58 118.45 1i8j h GLU 86 Ca 0.00 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1i8j h GLU 86 Cb 0.00 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1i8j h GLU 86 CO 0.00 0.99 -0.28 0.25 -1.16 0.00 0.00 179.01 178.81 1i8j n THR 87 N -4.10 0.00 -2.36 1.13 -2.24 -1.26 -4.64 114.28 100.81 1i8j n THR 87 Ca -0.00 -0.36 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 1i8j n THR 87 Cb 0.45 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 1i8j n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i8j n GLY 88 N 1.04 0.08 0.19 3.38 0.00 -1.25 -4.76 105.19 103.87 1i8j n GLY 88 Ca 0.06 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.75 1i8j n GLY 88 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i8j h SER 89 N -0.27 0.00 -0.44 1.61 4.64 -1.90 -2.36 113.55 114.83 1i8j h SER 89 Ca -0.22 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 1i8j h SER 89 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1i8j h SER 89 CO 0.25 0.00 0.20 -0.78 -0.87 0.00 0.00 176.83 175.63 1i8j h ASP 90 N 0.00 0.62 -0.37 4.97 3.58 -1.88 -2.45 116.42 120.89 1i8j h ASP 90 Ca 0.00 -0.07 0.05 0.00 0.42 0.00 0.00 57.03 57.43 1i8j h ASP 90 Cb 0.04 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 1i8j h ASP 90 CO 0.00 0.56 0.25 0.00 -2.88 0.00 0.00 179.24 177.17 1i8j h ALA 91 N 1.54 1.96 -0.56 -0.78 0.00 -1.79 -2.64 119.26 116.99 1i8j h ALA 91 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1i8j h ALA 91 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1i8j h ALA 91 CO -0.02 -0.02 0.00 -2.67 0.00 0.00 0.00 179.25 176.54 1i8j n TRP 92 N -4.48 0.91 -2.53 0.00 2.14 -0.94 -4.62 117.44 107.92 1i8j n TRP 92 Ca 0.04 -0.55 -0.42 0.00 2.07 0.00 0.00 57.50 58.64 1i8j n TRP 92 Cb 0.22 -0.08 -0.03 0.00 -0.81 0.00 0.00 31.31 30.61 1i8j n TRP 92 CO 0.00 0.00 0.00 0.50 2.07 0.00 0.00 177.69 180.26 1i8j s ARG 93 N -1.29 4.36 0.58 -2.67 3.52 -0.99 -4.82 118.95 117.64 1i8j s ARG 93 Ca 0.40 1.57 0.34 0.00 -0.13 0.00 0.00 55.73 57.92 1i8j s ARG 93 Cb 0.23 -3.57 1.31 0.00 -1.56 0.00 0.00 34.95 31.36 1i8j s ARG 93 CO 0.24 -0.44 1.54 0.93 -0.81 0.00 0.00 175.30 176.77 1i8j h GLU 94 N 7.41 0.00 0.00 5.12 5.08 -1.91 0.60 114.58 130.88 1i8j h GLU 94 Ca -0.32 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1i8j h GLU 94 Cb 1.15 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.31 1i8j h GLU 94 CO 0.89 0.00 -0.50 -3.47 -1.00 0.00 0.00 179.01 174.93 1i8j n ASP 95 N -3.62 1.46 -4.26 1.42 4.64 -1.26 -4.79 116.55 110.14 1i8j n ASP 95 Ca 0.26 -3.00 -0.29 0.00 -1.38 0.00 0.00 54.79 50.38 1i8j n ASP 95 Cb 1.47 -0.41 0.20 0.00 -1.04 0.00 0.00 41.12 41.34 1i8j n ASP 95 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 1i8j s GLY 96 N -2.54 1.60 0.29 0.27 0.00 0.21 -4.68 107.32 102.46 1i8j s GLY 96 Ca 0.30 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 44.30 1i8j s GLY 96 CO -0.06 -0.01 1.78 -2.00 0.00 0.00 0.00 173.10 172.81 1i8j h LEU 97 N -2.11 0.71 -0.01 0.66 5.85 -1.87 -1.45 115.31 117.09 1i8j h LEU 97 Ca -0.49 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.35 1i8j h LEU 97 Cb 1.30 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 1i8j h LEU 97 CO 0.46 0.28 -0.12 0.58 -0.34 0.00 0.00 178.44 179.30 1i8j h VAL 98 N 0.74 0.69 -0.22 1.05 2.07 -1.83 -0.63 116.25 118.13 1i8j h VAL 98 Ca 0.53 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.96 1i8j h VAL 98 Cb 0.76 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1i8j h VAL 98 CO -0.36 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 176.97 1i8j h ALA 99 N 0.78 1.15 0.01 1.67 0.00 -1.63 -3.12 119.26 118.12 1i8j h ALA 99 Ca 0.05 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 1i8j h ALA 99 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1i8j h ALA 99 CO -0.13 0.54 -0.89 0.00 0.00 0.00 0.00 179.25 178.77 1i8j h ARG 100 N 0.37 0.07 -0.72 0.00 3.08 -0.98 -1.76 114.38 114.43 1i8j h ARG 100 Ca 0.05 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1i8j h ARG 100 Cb 0.66 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 1i8j h ARG 100 CO 0.05 0.91 0.34 0.52 -1.07 0.00 0.00 179.97 180.71 1i8j h MET 101 N 0.03 1.05 0.38 0.04 2.86 -1.06 -1.17 114.93 117.07 1i8j h MET 101 Ca -0.03 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1i8j h MET 101 Cb 1.55 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.03 1i8j h MET 101 CO 0.12 0.83 -0.18 0.77 1.06 0.00 0.00 176.91 179.51 1i8j h SER 102 N 1.02 -0.43 -0.45 1.22 0.02 -1.55 -2.68 113.55 110.70 1i8j h SER 102 Ca 0.25 -0.12 0.09 0.00 -0.84 0.00 0.00 61.79 61.16 1i8j h SER 102 Cb 0.14 0.11 -0.10 0.00 0.14 0.00 0.00 62.40 62.69 1i8j h SER 102 CO -0.03 -0.10 -0.31 -0.09 -1.14 0.00 0.00 176.83 175.16 1i8j h ARG 103 N -0.79 -0.21 -0.32 3.45 2.43 -1.03 -0.15 114.38 117.77 1i8j h ARG 103 Ca -0.05 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1i8j h ARG 103 Cb 0.52 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1i8j h ARG 103 CO 0.08 -0.14 0.15 0.82 -1.51 0.00 0.00 179.97 179.38 1i8j h ILE 104 N -0.22 1.12 0.01 1.20 2.04 -1.26 -0.46 117.51 119.94 1i8j h ILE 104 Ca 0.19 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1i8j h ILE 104 Cb 0.53 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1i8j h ILE 104 CO -0.57 0.14 -0.00 0.00 0.00 0.00 0.00 178.15 177.72 1i8j h LYS 106 N -0.66 1.06 -0.32 0.00 1.79 -0.98 0.35 116.57 117.82 1i8j h LYS 106 Ca -0.00 -0.30 -0.13 0.00 -2.18 0.00 0.00 60.65 58.04 1i8j h LYS 106 Cb 0.65 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1i8j h LYS 106 CO 0.00 1.00 -0.32 1.96 -1.08 0.00 0.00 179.45 181.01 1i8j h GLN 107 N 0.99 0.78 -0.12 3.15 4.20 -1.20 -1.94 115.11 120.98 1i8j h GLN 107 Ca 0.19 -0.41 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 1i8j h GLN 107 Cb 0.48 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1i8j h GLN 107 CO 0.02 1.04 -0.06 1.15 -0.67 0.00 0.00 178.83 180.31 1i8j h THR 108 N 0.55 1.32 -3.04 -0.54 2.02 -1.31 -3.39 112.91 108.52 1i8j h THR 108 Ca 0.05 -1.10 -0.62 0.00 0.77 0.00 0.00 66.41 65.51 1i8j h THR 108 Cb 0.90 1.81 -0.40 0.00 -1.74 0.00 0.00 68.15 68.71 1i8j h THR 108 CO 0.08 0.31 -0.70 -0.69 0.37 0.00 0.00 175.52 174.89 1i8j s VAL 109 N -4.54 1.89 0.55 3.16 1.01 0.10 -4.99 120.40 117.58 1i8j s VAL 109 Ca -0.15 -3.10 0.28 0.00 0.00 0.00 0.00 61.98 59.02 1i8j s VAL 109 Cb 0.05 -2.30 0.42 0.00 0.00 0.00 0.00 36.38 34.55 1i8j s VAL 109 CO 0.72 -0.93 1.94 -0.65 0.00 0.00 0.00 175.10 176.19 1i8j h PRO 110 N 6.30 0.00 0.00 2.72 0.11 -1.55 -1.46 132.00 138.12 1i8j h PRO 110 Ca 0.03 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 1i8j h PRO 110 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1i8j h PRO 110 CO 0.57 0.00 -0.28 0.93 -0.21 0.00 0.00 178.00 179.01 1i8j h GLU 111 N 0.00 0.00 -6.53 1.05 3.07 -1.92 -3.47 114.58 106.78 1i8j h GLU 111 Ca 0.30 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.62 1i8j h GLU 111 Cb 1.26 0.00 0.05 0.00 -0.84 0.00 0.00 28.75 29.22 1i8j h GLU 111 CO -0.00 0.12 1.06 -0.12 -1.40 0.00 0.00 179.01 178.67 1i8j n MET 112 N -3.07 2.70 -2.96 2.33 1.56 -0.55 -4.95 117.12 112.18 1i8j n MET 112 Ca 0.03 0.98 -0.41 0.00 -0.27 0.00 0.00 57.70 58.02 1i8j n MET 112 Cb 0.59 -2.85 -0.05 0.00 2.15 0.00 0.00 33.22 33.06 1i8j n MET 112 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1i8j s ILE 113 N 2.30 4.89 -0.25 1.12 -1.09 -0.90 -4.87 121.20 122.40 1i8j s ILE 113 Ca 0.81 1.44 -0.07 0.00 -2.23 0.00 0.00 60.65 60.60 1i8j s ILE 113 Cb -0.52 -4.06 -0.02 0.00 -1.58 0.00 0.00 42.46 36.28 1i8j s ILE 113 CO 0.37 -0.02 0.06 -0.69 -1.23 0.00 0.00 174.94 173.42 1i8j s VAL 114 N 2.59 4.11 -0.18 2.92 1.01 -1.26 -1.62 120.40 127.96 1i8j s VAL 114 Ca 0.33 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 1i8j s VAL 114 Cb -0.16 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1i8j s VAL 114 CO 0.08 0.30 0.06 -0.04 0.00 0.00 0.00 175.10 175.51 1i8j s MET 115 N 1.57 3.95 -0.29 2.72 -1.94 -0.22 0.35 119.30 125.44 1i8j s MET 115 Ca 0.06 -0.36 -0.07 0.00 -1.71 0.00 0.00 55.69 53.60 1i8j s MET 115 Cb -0.15 -3.20 0.00 0.00 2.01 0.00 0.00 34.83 33.49 1i8j s MET 115 CO 0.02 0.26 0.09 0.45 -0.01 0.00 0.00 175.02 175.84 1i8j s SER 116 N 0.41 5.21 0.27 3.03 0.15 -0.10 -1.77 113.70 120.90 1i8j s SER 116 Ca 0.03 -0.62 -0.31 0.00 0.70 0.00 0.00 55.95 55.75 1i8j s SER 116 Cb -0.13 -1.91 -0.13 0.00 -1.71 0.00 0.00 66.02 62.15 1i8j s SER 116 CO 0.00 -0.18 1.46 -0.67 1.20 0.00 0.00 173.24 175.05 1i8j n ASP 117 N 4.90 3.11 -3.91 5.45 2.03 -0.84 -2.33 116.55 124.95 1i8j n ASP 117 Ca -0.15 1.15 -0.30 0.00 0.52 0.00 0.00 54.79 56.02 1i8j n ASP 117 Cb 0.49 -1.49 -0.14 0.00 -0.72 0.00 0.00 41.12 39.26 1i8j n ASP 117 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1i8j s THR 118 N -0.14 2.38 0.00 5.18 2.01 -0.01 -4.86 115.64 120.20 1i8j s THR 118 Ca 0.66 -3.17 0.00 0.00 0.31 0.00 0.00 61.69 59.49 1i8j s THR 118 Cb -0.59 -2.66 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1i8j s THR 118 CO 0.50 -0.81 0.00 0.00 -0.69 0.00 0.00 174.62 173.63 1i8j n PHE 120 N 0.00 0.00 0.26 0.00 3.72 -1.26 -4.85 117.46 115.33 1i8j n PHE 120 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1i8j n PHE 120 Cb 0.00 0.00 0.73 0.00 -0.94 0.00 0.00 39.48 39.27 1i8j n PHE 120 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i8j n GLU 122 N -3.59 0.68 0.00 0.00 1.02 -1.26 -4.15 120.64 113.34 1i8j n GLU 122 Ca -0.02 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 56.76 1i8j n GLU 122 Cb 0.24 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1i8j n GLU 122 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1i8j n TYR 123 N -0.84 0.00 -3.67 -0.32 4.01 -0.63 -3.89 117.16 111.81 1i8j n TYR 123 Ca 0.12 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.49 1i8j n TYR 123 Cb 0.33 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.30 1i8j n TYR 123 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1i8j s THR 124 N -0.65 5.23 0.26 -0.72 -4.23 -0.24 -1.78 115.64 113.50 1i8j s THR 124 Ca 0.00 0.48 -0.04 0.00 -1.18 0.00 0.00 61.69 60.95 1i8j s THR 124 Cb 0.00 -3.58 0.21 0.00 1.34 0.00 0.00 72.50 70.46 1i8j s THR 124 CO 0.00 0.52 1.87 0.77 -0.54 0.00 0.00 174.62 177.24 1i8j h SER 125 N 4.54 0.98 1.06 3.99 4.64 -0.27 -2.68 113.55 125.81 1i8j h SER 125 Ca -0.52 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 1i8j h SER 125 Cb 1.22 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1i8j h SER 125 CO 0.62 0.81 0.00 0.00 -0.87 0.00 0.00 176.83 177.39 1i8j n HIS 126 N -4.33 0.45 -0.51 4.77 1.44 -1.26 -4.82 115.22 110.95 1i8j n HIS 126 Ca 0.08 0.14 0.00 0.00 -2.01 0.00 0.00 57.72 55.93 1i8j n HIS 126 Cb 0.12 -0.73 0.00 0.00 0.12 0.00 0.00 29.99 29.50 1i8j n HIS 126 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1i8j n GLY 127 N 1.01 1.53 3.84 -1.39 0.00 -1.01 -4.07 105.19 105.10 1i8j n GLY 127 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1i8j n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i8j s HIS 128 N -3.35 3.42 0.00 1.61 3.76 -1.26 -4.22 115.29 115.25 1i8j s HIS 128 Ca 0.00 1.39 0.00 0.00 -0.15 0.00 0.00 55.06 56.30 1i8j s HIS 128 Cb 0.00 -2.71 0.00 0.00 1.11 0.00 0.00 32.58 30.98 1i8j s HIS 128 CO 0.00 -0.22 0.64 0.00 -0.85 0.00 0.00 174.74 174.30 1i8j n GLY 130 N 1.05 -0.81 3.70 0.00 0.00 -1.26 -4.43 105.19 103.44 1i8j n GLY 130 Ca 0.00 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1i8j n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i8j s VAL 131 N -3.00 3.98 0.26 1.61 1.01 -1.26 -4.89 120.40 118.11 1i8j s VAL 131 Ca 0.00 1.39 -0.09 0.00 0.00 0.00 0.00 61.98 63.28 1i8j s VAL 131 Cb 0.00 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 1i8j s VAL 131 CO 0.00 0.06 0.57 -0.76 0.00 0.00 0.00 175.10 174.98 1i8j s LEU 132 N 1.56 4.11 0.28 3.92 1.02 -1.26 0.44 118.68 128.75 1i8j s LEU 132 Ca 0.59 0.90 -0.02 0.00 0.02 0.00 0.00 54.13 55.63 1i8j s LEU 132 Cb -0.29 -3.69 -0.02 0.00 0.02 0.00 0.00 46.19 42.21 1i8j s LEU 132 CO 0.27 -0.13 0.33 0.00 0.02 0.00 0.00 176.35 176.84 1i8j h GLU 134 N 2.29 0.12 -0.11 0.00 3.07 -2.02 -2.42 114.58 115.51 1i8j h GLU 134 Ca -0.29 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.60 1i8j h GLU 134 Cb 1.24 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 29.08 1i8j h GLU 134 CO 0.42 0.08 -0.18 1.12 -1.40 0.00 0.00 179.01 179.04 1i8j h HIS 135 N 0.12 -0.48 0.00 4.33 -0.00 -2.00 -3.50 115.15 113.63 1i8j h HIS 135 Ca 0.22 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1i8j h HIS 135 Cb 0.70 0.23 0.00 0.00 -0.00 0.00 0.00 27.41 28.34 1i8j h HIS 135 CO -0.00 -0.26 0.00 0.41 -0.00 0.00 0.00 177.93 178.08 1i8j n GLY 136 N -1.32 0.75 3.63 6.13 0.00 -0.91 -5.01 105.19 108.44 1i8j n GLY 136 Ca -0.03 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 1i8j n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i8j s VAL 137 N -3.69 3.62 -0.28 1.61 1.01 -1.26 -1.92 120.40 119.49 1i8j s VAL 137 Ca 0.00 0.70 -0.29 0.00 0.00 0.00 0.00 61.98 62.39 1i8j s VAL 137 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1i8j s VAL 137 CO 0.00 -0.27 1.63 -0.62 0.00 0.00 0.00 175.10 175.84 1i8j s ASP 138 N 4.48 6.24 0.06 3.32 2.15 0.17 -4.94 116.67 128.15 1i8j s ASP 138 Ca 0.74 1.40 -0.24 0.00 0.43 0.00 0.00 52.55 54.88 1i8j s ASP 138 Cb -0.26 -2.53 -0.11 0.00 -0.30 0.00 0.00 42.92 39.72 1i8j s ASP 138 CO 0.30 -1.41 1.38 -1.13 -0.17 0.00 0.00 175.17 174.14 1i8j h ASN 139 N 11.31 -1.02 0.44 -0.34 -1.24 -1.91 -2.30 115.58 120.53 1i8j h ASN 139 Ca -0.33 0.09 -0.06 0.00 0.71 0.00 0.00 56.30 56.72 1i8j h ASN 139 Cb 1.15 0.35 -0.01 0.00 0.73 0.00 0.00 38.32 40.55 1i8j h ASN 139 CO 1.02 -0.42 -0.27 0.44 -1.29 0.00 0.00 177.43 176.90 1i8j h ASP 140 N -0.61 0.00 -0.45 1.15 3.32 -1.92 -0.94 116.42 116.97 1i8j h ASP 140 Ca -0.03 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 1i8j h ASP 140 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1i8j h ASP 140 CO -0.11 0.27 -0.09 0.00 -1.72 0.00 0.00 179.24 177.59 1i8j h ALA 141 N 1.73 0.62 -0.49 3.45 0.00 -1.95 -2.91 119.26 119.71 1i8j h ALA 141 Ca -0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1i8j h ALA 141 Cb 0.57 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1i8j h ALA 141 CO 0.04 0.50 -0.10 1.15 0.00 0.00 0.00 179.25 180.83 1i8j h THR 142 N 0.70 1.26 -0.98 0.00 2.02 -1.00 -2.99 112.91 111.92 1i8j h THR 142 Ca 0.12 -1.21 0.01 0.00 0.77 0.00 0.00 66.41 66.09 1i8j h THR 142 Cb 0.63 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 1i8j h THR 142 CO 0.04 0.42 0.65 -0.07 0.37 0.00 0.00 175.52 176.93 1i8j h LEU 143 N 0.81 1.12 -0.53 2.58 3.38 -1.02 -0.26 115.31 121.39 1i8j h LEU 143 Ca 0.13 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1i8j h LEU 143 Cb 0.63 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1i8j h LEU 143 CO 0.04 0.80 0.33 -0.08 0.09 0.00 0.00 178.44 179.63 1i8j h GLU 144 N 1.31 0.72 -0.12 1.13 4.81 -1.37 -1.30 114.58 119.76 1i8j h GLU 144 Ca 0.36 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.44 1i8j h GLU 144 Cb -0.14 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.08 1i8j h GLU 144 CO -0.08 0.51 -0.33 -0.91 -0.73 0.00 0.00 179.01 177.47 1i8j h ASN 145 N 0.72 0.25 -0.41 1.04 2.35 -1.34 -1.44 115.58 116.74 1i8j h ASN 145 Ca 0.19 -0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.74 1i8j h ASN 145 Cb -0.04 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1i8j h ASN 145 CO -0.04 0.57 -0.19 -0.07 -1.65 0.00 0.00 177.43 176.05 1i8j h LEU 146 N 0.21 0.92 -0.26 1.61 3.38 -0.70 0.97 115.31 121.45 1i8j h LEU 146 Ca 0.03 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1i8j h LEU 146 Cb 0.69 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1i8j h LEU 146 CO 0.05 1.09 0.13 1.23 0.09 0.00 0.00 178.44 181.03 1i8j h GLY 147 N 0.93 0.39 0.94 0.83 0.00 -0.67 0.34 103.07 105.83 1i8j h GLY 147 Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1i8j h GLY 147 CO 0.06 0.18 0.16 0.50 0.00 0.00 0.00 176.54 177.43 1i8j h LYS 148 N 0.29 0.46 -0.87 4.80 1.57 -1.04 -2.38 116.57 119.41 1i8j h LYS 148 Ca 0.09 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1i8j h LYS 148 Cb 0.10 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1i8j h LYS 148 CO -0.01 0.42 0.50 0.37 -0.57 0.00 0.00 179.45 180.16 1i8j h GLN 149 N 0.39 1.20 -0.54 3.15 4.15 -0.63 -2.89 115.11 119.93 1i8j h GLN 149 Ca 0.11 -0.12 0.08 0.00 0.77 0.00 0.00 58.65 59.49 1i8j h GLN 149 Cb 0.11 -0.24 -0.06 0.00 0.21 0.00 0.00 27.48 27.50 1i8j h GLN 149 CO -0.01 0.86 0.19 0.00 -1.93 0.00 0.00 178.83 177.93 1i8j h ALA 150 N 1.34 0.67 -0.43 3.38 0.00 -0.43 -1.56 119.26 122.22 1i8j h ALA 150 Ca 0.31 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.16 1i8j h ALA 150 Cb -0.01 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1i8j h ALA 150 CO -0.05 -0.21 -0.27 0.28 0.00 0.00 0.00 179.25 178.99 1i8j h VAL 151 N 0.37 1.27 -0.43 0.00 2.07 -1.36 -0.46 116.25 117.71 1i8j h VAL 151 Ca 0.26 -1.44 -0.13 0.00 0.82 0.00 0.00 66.70 66.21 1i8j h VAL 151 Cb 0.30 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1i8j h VAL 151 CO -0.27 0.49 -0.26 -0.37 0.02 0.00 0.00 177.57 177.18 1i8j h VAL 152 N 0.79 1.27 -0.65 2.57 -1.51 -1.28 0.23 116.25 117.68 1i8j h VAL 152 Ca 0.09 -1.42 -0.07 0.00 -1.23 0.00 0.00 66.70 64.07 1i8j h VAL 152 Cb 0.85 1.25 -0.03 0.00 -2.13 0.00 0.00 31.29 31.23 1i8j h VAL 152 CO 0.07 0.48 0.15 0.00 -1.23 0.00 0.00 177.57 177.05 1i8j h ALA 153 N 0.82 0.86 -0.14 5.19 0.00 -1.28 0.14 119.26 124.85 1i8j h ALA 153 Ca 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1i8j h ALA 153 Cb 0.84 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1i8j h ALA 153 CO 0.07 0.58 0.06 0.00 0.00 0.00 0.00 179.25 179.96 1i8j h ALA 154 N 1.06 0.18 -0.66 0.00 0.00 -0.97 -1.42 119.26 117.45 1i8j h ALA 154 Ca 0.20 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1i8j h ALA 154 Cb 0.37 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1i8j h ALA 154 CO 0.00 -0.23 0.43 0.00 0.00 0.00 0.00 179.25 179.46 1i8j h ALA 155 N 0.90 1.52 0.00 0.00 0.00 -0.25 -1.26 119.26 120.16 1i8j h ALA 155 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i8j h ALA 155 Cb 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1i8j h ALA 155 CO -0.00 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1i8j n ALA 156 N -2.44 1.96 0.00 0.00 0.00 0.46 -4.88 120.51 115.61 1i8j n ALA 156 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1i8j n ALA 156 Cb 0.04 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1i8j n ALA 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8j n GLY 157 N 0.26 0.79 3.70 0.00 0.00 -0.48 -2.54 105.19 106.93 1i8j n GLY 157 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1i8j n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i8j n ALA 158 N -0.92 1.65 0.06 4.61 0.00 -0.59 -4.86 120.51 120.47 1i8j n ALA 158 Ca 0.00 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.67 1i8j n ALA 158 Cb 0.00 -2.34 -0.14 0.00 0.00 0.00 0.00 19.45 16.97 1i8j n ALA 158 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1i8j h ASP 159 N 4.00 0.35 -4.29 0.00 3.32 -0.45 -3.43 116.42 115.92 1i8j h ASP 159 Ca -0.46 -0.48 -0.53 0.00 0.02 0.00 0.00 57.03 55.58 1i8j h ASP 159 Cb 1.26 -0.11 -0.29 0.00 0.22 0.00 0.00 39.33 40.41 1i8j h ASP 159 CO 0.74 1.40 -0.83 -0.36 -1.72 0.00 0.00 179.24 178.47 1i8j s PHE 160 N -2.62 1.49 -0.31 4.55 0.40 -0.72 -2.26 117.98 118.51 1i8j s PHE 160 Ca -0.08 -0.29 -0.09 0.00 -0.60 0.00 0.00 56.93 55.87 1i8j s PHE 160 Cb 0.07 -0.95 -0.00 0.00 0.51 0.00 0.00 43.02 42.65 1i8j s PHE 160 CO 0.85 -0.01 0.14 0.42 0.70 0.00 0.00 175.22 177.31 1i8j s ILE 161 N -0.45 4.42 -0.72 0.64 -1.09 0.11 -0.92 121.20 123.20 1i8j s ILE 161 Ca 0.06 -0.53 -0.04 0.00 -2.23 0.00 0.00 60.65 57.91 1i8j s ILE 161 Cb -0.07 -3.27 0.18 0.00 -1.58 0.00 0.00 42.46 37.72 1i8j s ILE 161 CO -0.00 0.05 0.56 0.00 -1.23 0.00 0.00 174.94 174.32 1i8j s ALA 162 N 1.58 3.80 -0.20 9.38 0.00 -0.99 -1.47 121.76 133.86 1i8j s ALA 162 Ca 0.04 -3.41 -0.29 0.00 0.00 0.00 0.00 51.96 48.30 1i8j s ALA 162 Cb -0.17 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1i8j s ALA 162 CO 0.05 -2.15 1.76 -1.25 0.00 0.00 0.00 175.76 174.18 1i8j s PRO 163 N -0.32 3.70 -0.18 0.00 0.04 -1.24 -0.83 135.00 136.16 1i8j s PRO 163 Ca 0.19 1.81 0.16 0.00 0.04 0.00 0.00 61.00 63.21 1i8j s PRO 163 Cb -0.16 -4.12 0.53 0.00 0.04 0.00 0.00 34.50 30.79 1i8j s PRO 163 CO -0.06 -1.42 1.42 -1.13 0.04 0.00 0.00 177.00 175.85 1i8j n SER 164 N 8.98 3.82 0.22 6.66 3.41 -1.03 -2.98 113.62 132.70 1i8j n SER 164 Ca 0.21 -3.05 0.14 0.00 -0.26 0.00 0.00 58.87 55.91 1i8j n SER 164 Cb 0.45 -0.55 0.42 0.00 -0.26 0.00 0.00 64.21 64.27 1i8j n SER 164 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i8j h ALA 165 N 1.75 1.00 -5.54 7.33 0.00 -1.88 -3.48 119.26 118.43 1i8j h ALA 165 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.56 1i8j h ALA 165 Cb 1.45 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.38 1i8j h ALA 165 CO 0.23 0.00 -0.66 0.00 0.00 0.00 0.00 179.25 178.82 1i8j n ALA 166 N -2.02 -1.39 -2.80 0.00 0.00 -1.26 -4.82 120.51 108.21 1i8j n ALA 166 Ca 0.03 0.28 -0.37 0.00 0.00 0.00 0.00 53.44 53.38 1i8j n ALA 166 Cb 0.40 -4.57 -0.06 0.00 0.00 0.00 0.00 19.45 15.23 1i8j n ALA 166 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1i8j s MET 167 N -6.02 3.59 0.13 0.00 -1.94 -1.26 -4.59 119.30 109.20 1i8j s MET 167 Ca 0.42 -0.04 -0.31 0.00 -1.71 0.00 0.00 55.69 54.06 1i8j s MET 167 Cb -0.19 -3.21 -0.09 0.00 2.01 0.00 0.00 34.83 33.35 1i8j s MET 167 CO 0.69 0.72 1.47 -0.51 -0.01 0.00 0.00 175.02 177.38 1i8j s ASP 168 N -0.92 6.73 -0.00 3.03 1.01 -1.26 -2.52 116.67 122.73 1i8j s ASP 168 Ca 0.16 2.43 0.00 0.00 0.71 0.00 0.00 52.55 55.85 1i8j s ASP 168 Cb -0.13 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1i8j s ASP 168 CO 0.05 -0.73 0.00 0.61 0.21 0.00 0.00 175.17 175.32 1i8j n GLY 169 N 3.61 0.46 0.23 0.21 0.00 -1.26 -4.93 105.19 103.52 1i8j n GLY 169 Ca 0.13 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 1i8j n GLY 169 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1i8j h GLN 170 N 0.65 0.76 -0.24 1.61 3.07 -1.92 -1.50 115.11 117.54 1i8j h GLN 170 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 58.65 58.61 1i8j h GLN 170 Cb 0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.43 1i8j h GLN 170 CO 0.00 0.67 0.16 0.28 0.09 0.00 0.00 178.83 180.02 1i8j h VAL 171 N 0.68 1.07 -0.56 1.86 2.07 -1.92 0.08 116.25 119.52 1i8j h VAL 171 Ca 0.17 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1i8j h VAL 171 Cb 0.19 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1i8j h VAL 171 CO -0.01 0.06 0.34 -0.61 0.02 0.00 0.00 177.57 177.37 1i8j h GLN 172 N 0.32 0.76 -0.22 1.57 4.15 -1.69 0.35 115.11 120.35 1i8j h GLN 172 Ca 0.09 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.46 1i8j h GLN 172 Cb -0.03 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 1i8j h GLN 172 CO -0.02 0.55 0.08 0.00 -1.93 0.00 0.00 178.83 177.51 1i8j h ALA 173 N 1.17 0.25 -0.21 3.38 0.00 -1.00 0.16 119.26 122.99 1i8j h ALA 173 Ca 0.20 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1i8j h ALA 173 Cb -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1i8j h ALA 173 CO -0.04 -0.34 -0.46 0.82 0.00 0.00 0.00 179.25 179.23 1i8j h ILE 174 N 0.18 1.31 0.09 0.00 2.04 -0.63 -1.70 117.51 118.80 1i8j h ILE 174 Ca 0.10 -1.66 -0.00 0.00 1.00 0.00 0.00 64.86 64.29 1i8j h ILE 174 Cb 0.06 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1i8j h ILE 174 CO -0.10 0.52 -0.05 -0.09 0.00 0.00 0.00 178.15 178.44 1i8j h ARG 175 N 0.44 -0.12 -0.18 2.37 9.65 0.13 -1.42 114.38 125.25 1i8j h ARG 175 Ca 0.03 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.96 1i8j h ARG 175 Cb 0.97 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.54 1i8j h ARG 175 CO 0.09 0.06 -0.10 1.96 2.80 0.00 0.00 179.97 184.78 1i8j h GLN 176 N -0.28 -0.08 0.14 0.20 4.20 -0.63 -1.78 115.11 116.88 1i8j h GLN 176 Ca -0.01 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1i8j h GLN 176 Cb 0.24 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 1i8j h GLN 176 CO 0.02 -0.05 -0.34 0.00 -0.67 0.00 0.00 178.83 177.79 1i8j h ALA 177 N 1.07 -0.60 -0.88 3.87 0.00 -1.23 -1.57 119.26 119.92 1i8j h ALA 177 Ca 0.10 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1i8j h ALA 177 Cb 0.24 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1i8j h ALA 177 CO -0.24 -0.90 0.57 -0.07 0.00 0.00 0.00 179.25 178.62 1i8j h LEU 178 N -0.58 0.94 0.12 0.00 3.38 -1.18 -2.67 115.31 115.32 1i8j h LEU 178 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1i8j h LEU 178 Cb 0.60 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1i8j h LEU 178 CO -0.19 0.65 -0.06 0.44 0.09 0.00 0.00 178.44 179.38 1i8j h ASP 179 N 1.10 -0.14 -0.91 -0.43 3.32 -1.04 0.70 116.42 119.03 1i8j h ASP 179 Ca 0.35 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.44 1i8j h ASP 179 Cb -0.00 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.53 1i8j h ASP 179 CO -0.11 -0.08 0.59 0.00 -1.72 0.00 0.00 179.24 177.92 1i8j h ALA 180 N 0.70 1.47 -0.13 3.45 0.00 -1.14 -1.54 119.26 122.07 1i8j h ALA 180 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1i8j h ALA 180 Cb 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1i8j h ALA 180 CO 0.03 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1i8j n ALA 181 N -2.39 2.55 -1.37 0.00 0.00 -1.02 -4.89 120.51 113.38 1i8j n ALA 181 Ca 0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 53.44 53.25 1i8j n ALA 181 Cb 0.16 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 1i8j n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8j n GLY 182 N 0.57 0.57 2.67 0.00 0.00 -0.58 -4.95 105.19 103.47 1i8j n GLY 182 Ca 0.05 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 1i8j n GLY 182 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1i8j n PHE 183 N -3.18 3.29 0.29 1.61 3.72 0.24 -4.76 117.46 118.68 1i8j n PHE 183 Ca -0.04 -2.88 0.18 0.00 -0.05 0.00 0.00 57.45 54.65 1i8j n PHE 183 Cb 0.24 -0.53 0.87 0.00 -0.94 0.00 0.00 39.48 39.12 1i8j n PHE 183 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1i8j h LYS 184 N 2.82 0.00 0.00 -1.08 2.10 -1.80 -2.32 116.57 116.29 1i8j h LYS 184 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 1i8j h LYS 184 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1i8j h LYS 184 CO 1.06 0.03 -0.63 -0.25 -2.00 0.00 0.00 179.45 177.67 1i8j n ASP 185 N -3.22 0.61 -4.75 7.07 8.00 -1.26 -4.89 116.55 118.11 1i8j n ASP 185 Ca -0.01 -0.03 -0.41 0.00 0.71 0.00 0.00 54.79 55.05 1i8j n ASP 185 Cb 0.22 0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 1i8j n ASP 185 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i8j s THR 186 N -3.12 3.27 0.40 -3.53 2.01 -0.87 -5.02 115.64 108.78 1i8j s THR 186 Ca 0.08 1.16 0.02 0.00 0.31 0.00 0.00 61.69 63.25 1i8j s THR 186 Cb 0.15 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 1i8j s THR 186 CO 0.72 0.23 0.60 0.00 -0.69 0.00 0.00 174.62 175.47 1i8j s ALA 187 N -0.54 3.85 -0.12 7.40 0.00 -0.96 -4.97 121.76 126.43 1i8j s ALA 187 Ca 0.51 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1i8j s ALA 187 Cb -0.35 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 20.75 1i8j s ALA 187 CO 0.42 -0.22 -0.21 0.42 0.00 0.00 0.00 175.76 176.16 1i8j s ILE 188 N -2.41 2.21 -0.41 0.00 1.01 -1.26 -0.71 121.20 119.63 1i8j s ILE 188 Ca 0.46 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 1i8j s ILE 188 Cb -0.10 -1.87 0.11 0.00 0.01 0.00 0.00 42.46 40.61 1i8j s ILE 188 CO 0.36 0.55 0.20 -0.32 0.00 0.00 0.00 174.94 175.73 1i8j s MET 189 N 0.53 1.99 -0.02 2.79 -2.45 -0.54 -2.05 119.30 119.55 1i8j s MET 189 Ca -0.13 -1.83 -0.21 0.00 -1.25 0.00 0.00 55.69 52.27 1i8j s MET 189 Cb -0.17 -3.57 -0.05 0.00 1.25 0.00 0.00 34.83 32.29 1i8j s MET 189 CO 0.04 -1.07 0.61 0.45 1.05 0.00 0.00 175.02 176.10 1i8j s SER 190 N 1.79 6.97 -1.39 1.11 0.15 -0.63 -3.66 113.70 118.03 1i8j s SER 190 Ca 0.08 1.15 -0.13 0.00 0.70 0.00 0.00 55.95 57.75 1i8j s SER 190 Cb -0.23 -2.37 0.08 0.00 -1.71 0.00 0.00 66.02 61.79 1i8j s SER 190 CO -0.04 0.07 2.07 -1.22 1.20 0.00 0.00 173.24 175.31 1i8j n TYR 191 N 2.91 3.53 -0.20 3.44 4.02 -1.16 -2.58 117.16 127.13 1i8j n TYR 191 Ca -0.06 -2.93 -0.08 0.00 -0.01 0.00 0.00 57.90 54.82 1i8j n TYR 191 Cb 0.51 -2.40 0.02 0.00 -0.02 0.00 0.00 39.34 37.45 1i8j n TYR 191 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1i8j h SER 192 N 6.11 0.80 -3.64 7.72 4.64 -1.86 -3.34 113.55 123.99 1i8j h SER 192 Ca 0.51 -0.20 -0.69 0.00 -0.47 0.00 0.00 61.79 60.93 1i8j h SER 192 Cb 0.67 -0.21 -0.35 0.00 -0.31 0.00 0.00 62.40 62.19 1i8j h SER 192 CO 1.76 0.79 -0.53 -0.89 -0.87 0.00 0.00 176.83 177.09 1i8j s THR 193 N -5.41 3.26 -0.30 2.95 2.01 -0.26 -4.22 115.64 113.67 1i8j s THR 193 Ca -0.13 -2.27 0.03 0.00 0.31 0.00 0.00 61.69 59.64 1i8j s THR 193 Cb 0.12 -3.23 0.08 0.00 0.01 0.00 0.00 72.50 69.48 1i8j s THR 193 CO 0.80 -0.72 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.22 1i8j s LYS 194 N 0.88 1.91 0.43 4.92 2.20 -1.26 -0.98 119.74 127.84 1i8j s LYS 194 Ca 0.10 -1.58 -0.20 0.00 -0.36 0.00 0.00 55.97 53.93 1i8j s LYS 194 Cb -0.22 -3.04 -0.10 0.00 -1.51 0.00 0.00 37.83 32.96 1i8j s LYS 194 CO -0.04 -0.74 0.94 -0.06 -0.36 0.00 0.00 175.35 175.09 1i8j s PHE 195 N 1.01 3.33 -1.46 4.03 0.08 -0.02 -1.41 117.98 123.55 1i8j s PHE 195 Ca -0.00 1.56 -0.14 0.00 0.12 0.00 0.00 56.93 58.47 1i8j s PHE 195 Cb -0.20 -2.82 0.04 0.00 -0.57 0.00 0.00 43.02 39.48 1i8j s PHE 195 CO -0.06 -0.13 2.24 0.00 -0.10 0.00 0.00 175.22 177.16 1i8j n ALA 196 N -0.75 5.60 -2.00 5.36 0.00 0.22 -4.67 120.51 124.27 1i8j n ALA 196 Ca 0.07 -3.89 -0.30 0.00 0.00 0.00 0.00 53.44 49.32 1i8j n ALA 196 Cb 0.54 -3.51 -0.00 0.00 0.00 0.00 0.00 19.45 16.47 1i8j n ALA 196 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i8j s SER 197 N 3.09 6.31 0.00 0.00 0.15 -1.26 -4.71 113.70 117.27 1i8j s SER 197 Ca 0.47 1.28 0.22 0.00 0.70 0.00 0.00 55.95 58.63 1i8j s SER 197 Cb 0.14 -2.40 0.58 0.00 -1.71 0.00 0.00 66.02 62.62 1i8j s SER 197 CO -0.09 -0.72 1.49 -1.54 1.20 0.00 0.00 173.24 173.59 1i8j n SER 198 N -2.35 3.69 -1.10 5.45 3.41 -1.26 -4.36 113.62 117.10 1i8j n SER 198 Ca 0.04 -1.99 0.09 0.00 -0.26 0.00 0.00 58.87 56.75 1i8j n SER 198 Cb 0.54 -0.41 0.26 0.00 -0.26 0.00 0.00 64.21 64.35 1i8j n SER 198 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1i8j n PHE 199 N 1.55 0.81 0.98 7.33 3.72 -1.26 -4.33 117.46 126.26 1i8j n PHE 199 Ca 0.23 -0.40 0.12 0.00 -0.05 0.00 0.00 57.45 57.35 1i8j n PHE 199 Cb 0.60 -0.01 0.15 0.00 -0.94 0.00 0.00 39.48 39.29 1i8j n PHE 199 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1i8j n TYR 200 N 1.21 0.05 -0.03 1.38 4.01 -1.26 -0.73 117.16 121.80 1i8j n TYR 200 Ca 0.20 -0.03 -0.10 0.00 -0.16 0.00 0.00 57.90 57.81 1i8j n TYR 200 Cb 0.51 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.47 1i8j n TYR 200 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1i8j h GLY 201 N 4.71 -1.26 -0.40 2.72 0.00 -1.92 -1.37 103.07 105.56 1i8j h GLY 201 Ca 0.00 0.70 0.20 0.00 0.00 0.00 0.00 47.33 48.23 1i8j h GLY 201 CO 0.00 -0.32 0.12 -2.55 0.00 0.00 0.00 176.54 173.79 1i8j h PRO 202 N -0.37 0.16 -0.24 4.80 0.11 -1.89 -1.61 132.00 132.96 1i8j h PRO 202 Ca 0.03 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.16 1i8j h PRO 202 Cb 0.46 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 1i8j h PRO 202 CO -0.33 0.10 0.07 0.35 -0.21 0.00 0.00 178.00 177.99 1i8j h PHE 203 N 0.16 0.13 -0.72 0.65 3.57 -1.71 -0.28 116.94 118.74 1i8j h PHE 203 Ca 0.48 0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.06 1i8j h PHE 203 Cb 0.90 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 1i8j h PHE 203 CO -0.35 0.05 0.48 0.00 -2.23 0.00 0.00 178.31 176.26 1i8j h ARG 204 N 0.18 0.73 0.40 1.11 3.08 -0.31 0.28 114.38 119.84 1i8j h ARG 204 Ca 0.11 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1i8j h ARG 204 Cb 0.08 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1i8j h ARG 204 CO -0.12 0.48 -0.19 1.49 -1.07 0.00 0.00 179.97 180.56 1i8j h GLU 205 N 0.75 -0.52 -0.66 0.04 4.81 -0.90 -0.31 114.58 117.79 1i8j h GLU 205 Ca 0.31 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.64 1i8j h GLU 205 Cb 0.27 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1i8j h GLU 205 CO -0.10 -0.23 0.44 0.00 -0.73 0.00 0.00 179.01 178.38 1i8j h ALA 206 N -0.27 1.75 -0.12 2.92 0.00 -0.29 -3.03 119.26 120.23 1i8j h ALA 206 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1i8j h ALA 206 Cb 0.52 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1i8j h ALA 206 CO 0.09 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1i8j n ALA 207 N -2.46 2.45 -2.76 0.00 0.00 0.90 -4.91 120.51 113.73 1i8j n ALA 207 Ca 0.09 -0.77 -0.17 0.00 0.00 0.00 0.00 53.44 52.60 1i8j n ALA 207 Cb 0.23 -0.80 0.02 0.00 0.00 0.00 0.00 19.45 18.90 1i8j n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8j n GLY 208 N 1.36 -0.23 3.58 0.00 0.00 -0.20 -4.57 105.19 105.13 1i8j n GLY 208 Ca 0.15 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1i8j n GLY 208 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1i8j s SER 209 N -2.72 6.25 0.00 1.61 0.15 -0.79 -4.88 113.70 113.33 1i8j s SER 209 Ca 0.20 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1i8j s SER 209 Cb -0.09 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1i8j s SER 209 CO 0.25 -1.61 0.59 0.00 1.20 0.00 0.00 173.24 173.67 1i8j n ALA 210 N 9.13 2.19 -2.68 5.45 0.00 -1.26 -4.90 120.51 128.44 1i8j n ALA 210 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.16 1i8j n ALA 210 Cb 0.49 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.52 1i8j n ALA 210 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1i8j s LEU 211 N 0.00 4.21 -0.13 0.00 2.96 -1.26 -3.40 118.68 121.07 1i8j s LEU 211 Ca 0.00 0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 54.82 1i8j s LEU 211 Cb 0.00 -2.94 -0.25 0.00 0.50 0.00 0.00 46.19 43.50 1i8j s LEU 211 CO 0.00 -0.21 0.34 2.29 -1.32 0.00 0.00 176.35 177.45 1i8j n LYS 212 N 4.55 0.74 0.00 1.98 2.85 -1.26 -4.98 118.16 122.05 1i8j n LYS 212 Ca -0.02 0.25 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 1i8j n LYS 212 Cb 0.50 -1.70 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 1i8j n LYS 212 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1i8j n GLY 213 N 1.98 1.01 3.40 2.58 0.00 -1.26 -5.15 105.19 107.75 1i8j n GLY 213 Ca -0.32 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 1i8j n GLY 213 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1i8j s ASP 214 N -1.00 2.00 -0.16 1.61 1.47 -1.26 -5.05 116.67 114.29 1i8j s ASP 214 Ca 0.00 -1.57 0.16 0.00 1.18 0.00 0.00 52.55 52.32 1i8j s ASP 214 Cb 0.00 0.36 0.49 0.00 -0.34 0.00 0.00 42.92 43.44 1i8j s ASP 214 CO 0.00 -0.87 1.39 0.54 0.68 0.00 0.00 175.17 176.92 1i8j n ARG 215 N -0.69 2.88 0.05 2.11 1.74 -1.26 -4.72 116.66 116.77 1i8j n ARG 215 Ca -0.01 -2.74 0.05 0.00 -0.77 0.00 0.00 57.85 54.39 1i8j n ARG 215 Cb 0.65 -1.76 0.25 0.00 -1.02 0.00 0.00 32.46 30.58 1i8j n ARG 215 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1i8j n LYS 216 N -0.41 0.05 0.00 5.56 5.02 -1.26 -0.77 118.16 126.34 1i8j n LYS 216 Ca 0.20 0.46 0.14 0.00 -2.02 0.00 0.00 58.31 57.08 1i8j n LYS 216 Cb 0.83 -1.64 0.51 0.00 -0.02 0.00 0.00 35.03 34.71 1i8j n LYS 216 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1i8j n SER 217 N -1.74 0.65 0.00 4.39 3.41 -1.26 -4.52 113.62 114.55 1i8j n SER 217 Ca 0.01 -0.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 1i8j n SER 217 Cb 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1i8j n SER 217 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i8j n TYR 218 N -0.89 0.00 -2.52 7.33 4.11 -0.77 -5.05 117.16 119.37 1i8j n TYR 218 Ca 0.13 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.66 1i8j n TYR 218 Cb 0.31 0.07 -0.04 0.00 -0.00 0.00 0.00 39.34 39.68 1i8j n TYR 218 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1i8j s GLN 219 N -1.24 4.16 0.64 -3.48 -0.21 0.05 -4.81 119.66 114.76 1i8j s GLN 219 Ca 0.00 1.54 -0.07 0.00 0.02 0.00 0.00 55.36 56.85 1i8j s GLN 219 Cb 0.00 -2.56 0.02 0.00 1.00 0.00 0.00 33.01 31.48 1i8j s GLN 219 CO 0.00 -0.15 0.97 0.00 -2.12 0.00 0.00 175.29 173.98 1i8j s MET 220 N -2.47 2.74 0.06 2.91 0.23 -0.50 -4.22 119.30 118.05 1i8j s MET 220 Ca 0.58 0.03 -0.31 0.00 -1.03 0.00 0.00 55.69 54.96 1i8j s MET 220 Cb -0.23 -2.20 -0.07 0.00 -1.53 0.00 0.00 34.83 30.80 1i8j s MET 220 CO 0.28 -0.89 1.46 1.21 -2.03 0.00 0.00 175.02 175.05 1i8j s ASN 221 N -4.36 6.78 0.53 -1.18 3.84 -1.26 0.71 114.94 119.99 1i8j s ASN 221 Ca 0.56 2.29 0.27 0.00 0.21 0.00 0.00 52.86 56.19 1i8j s ASN 221 Cb -0.11 -2.57 1.42 0.00 -0.55 0.00 0.00 41.25 39.44 1i8j s ASN 221 CO 0.46 -0.74 1.97 -0.65 -2.79 0.00 0.00 177.10 175.36 1i8j h PRO 222 N 7.54 0.00 0.00 0.43 0.11 -1.94 -2.19 132.00 135.94 1i8j h PRO 222 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1i8j h PRO 222 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1i8j h PRO 222 CO 0.90 0.00 -0.00 -1.33 -0.21 0.00 0.00 178.00 177.35 1i8j n MET 223 N -4.35 0.05 -3.15 1.05 2.81 -1.26 -4.71 117.12 107.56 1i8j n MET 223 Ca 0.11 0.04 -0.45 0.00 -1.81 0.00 0.00 57.70 55.60 1i8j n MET 223 Cb 0.68 -1.56 -0.01 0.00 -0.71 0.00 0.00 33.22 31.62 1i8j n MET 223 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1i8j s ASN 224 N -3.30 7.05 0.25 7.83 -0.87 -0.82 -4.89 114.94 120.18 1i8j s ASN 224 Ca 0.13 -3.02 -0.04 0.00 -1.57 0.00 0.00 52.86 48.36 1i8j s ASN 224 Cb 0.18 -2.30 0.29 0.00 -0.02 0.00 0.00 41.25 39.40 1i8j s ASN 224 CO 0.54 -0.60 1.78 0.08 -2.57 0.00 0.00 177.10 176.34 1i8j h ARG 225 N 7.33 0.94 -0.27 -0.60 0.11 -1.87 -0.93 114.38 119.09 1i8j h ARG 225 Ca 0.21 -0.21 -0.14 0.00 0.10 0.00 0.00 59.98 59.94 1i8j h ARG 225 Cb 0.92 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.87 1i8j h ARG 225 CO 1.06 0.85 -0.38 0.00 0.10 0.00 0.00 179.97 181.59 1i8j h ARG 226 N 0.89 0.73 -0.73 0.08 3.08 -2.00 -2.99 114.38 113.45 1i8j h ARG 226 Ca 0.19 -0.43 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 1i8j h ARG 226 Cb 0.34 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1i8j h ARG 226 CO 0.00 1.05 0.35 1.49 -1.07 0.00 0.00 179.97 181.79 1i8j h GLU 227 N 0.46 1.04 -0.59 0.04 4.81 -1.94 -2.42 114.58 115.98 1i8j h GLU 227 Ca 0.03 -0.14 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1i8j h GLU 227 Cb 0.97 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.11 1i8j h GLU 227 CO 0.09 0.80 0.32 0.00 -0.73 0.00 0.00 179.01 179.48 1i8j h ALA 228 N 1.35 0.77 -0.30 2.92 0.00 -1.04 0.84 119.26 123.80 1i8j h ALA 228 Ca 0.25 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1i8j h ALA 228 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1i8j h ALA 228 CO -0.03 -0.01 -0.08 0.82 0.00 0.00 0.00 179.25 179.94 1i8j h ILE 229 N 0.60 1.28 -0.95 0.00 1.08 -1.37 -2.80 117.51 115.35 1i8j h ILE 229 Ca 0.26 -1.13 0.02 0.00 -0.39 0.00 0.00 64.86 63.62 1i8j h ILE 229 Cb 0.15 1.41 -0.05 0.00 -3.07 0.00 0.00 36.82 35.25 1i8j h ILE 229 CO -0.16 0.36 0.63 -0.09 -0.69 0.00 0.00 178.15 178.20 1i8j h ARG 230 N 0.34 1.21 -0.43 2.37 2.43 -1.06 -0.59 114.38 118.65 1i8j h ARG 230 Ca 0.07 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1i8j h ARG 230 Cb 0.57 -0.27 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1i8j h ARG 230 CO 0.03 0.80 0.19 0.93 -1.51 0.00 0.00 179.97 180.42 1i8j h GLU 231 N 1.25 0.38 -0.05 0.20 4.39 -0.58 -1.35 114.58 118.81 1i8j h GLU 231 Ca 0.37 -0.02 -0.23 0.00 0.34 0.00 0.00 59.36 59.81 1i8j h GLU 231 Cb -0.07 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1i8j h GLU 231 CO -0.10 0.25 -0.89 0.77 -1.16 0.00 0.00 179.01 177.88 1i8j h SER 232 N 0.39 0.72 0.41 1.42 0.02 -1.29 -3.12 113.55 112.10 1i8j h SER 232 Ca 0.19 -0.53 -0.09 0.00 -0.84 0.00 0.00 61.79 60.52 1i8j h SER 232 Cb 0.14 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1i8j h SER 232 CO -0.16 1.32 -0.41 -0.07 -1.14 0.00 0.00 176.83 176.37 1i8j h LEU 233 N 0.36 0.00 -1.21 5.07 3.38 -0.92 -1.03 115.31 120.95 1i8j h LEU 233 Ca -0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1i8j h LEU 233 Cb 1.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 1i8j h LEU 233 CO 0.17 0.41 -0.31 -0.07 0.09 0.00 0.00 178.44 178.72 1i8j h LEU 234 N 0.00 0.13 -0.11 1.67 3.38 -1.25 -1.48 115.31 117.66 1i8j h LEU 234 Ca -0.00 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.71 1i8j h LEU 234 Cb 0.73 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1i8j h LEU 234 CO 0.05 0.45 -0.99 0.44 0.09 0.00 0.00 178.44 178.49 1i8j h ASP 235 N 0.12 0.15 -0.57 -0.43 5.19 -1.28 -2.13 116.42 117.47 1i8j h ASP 235 Ca 0.02 -0.14 -0.06 0.00 -0.62 0.00 0.00 57.03 56.22 1i8j h ASP 235 Cb 0.62 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 1i8j h ASP 235 CO 0.05 1.04 0.11 -0.08 -3.12 0.00 0.00 179.24 177.23 1i8j h GLU 236 N 0.04 0.94 0.00 3.56 4.81 -1.03 -1.99 114.58 120.92 1i8j h GLU 236 Ca -0.04 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 1i8j h GLU 236 Cb 1.69 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.95 1i8j h GLU 236 CO 0.14 0.89 -0.09 0.00 -0.73 0.00 0.00 179.01 179.23 1i8j h ALA 237 N 1.01 1.80 -0.00 2.92 0.00 -1.15 -2.03 119.26 121.81 1i8j h ALA 237 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1i8j h ALA 237 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1i8j h ALA 237 CO 0.01 0.11 -0.03 1.04 0.00 0.00 0.00 179.25 180.37 1i8j n GLN 238 N -4.35 1.05 0.00 0.00 6.02 -0.81 -4.92 117.38 114.36 1i8j n GLN 238 Ca -0.03 -0.32 0.00 0.00 -0.01 0.00 0.00 57.00 56.64 1i8j n GLN 238 Cb 0.16 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.93 1i8j n GLN 238 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i8j n GLY 239 N 1.14 0.65 3.64 1.08 0.00 -0.76 -4.25 105.19 106.68 1i8j n GLY 239 Ca 0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.76 1i8j n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i8j n ALA 240 N -1.40 0.49 0.07 4.61 0.00 -0.81 -4.89 120.51 118.58 1i8j n ALA 240 Ca 0.00 0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.74 1i8j n ALA 240 Cb 0.00 -2.18 -0.13 0.00 0.00 0.00 0.00 19.45 17.14 1i8j n ALA 240 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1i8j h ASP 241 N 3.62 0.21 -4.34 0.00 3.32 -1.76 -3.45 116.42 114.02 1i8j h ASP 241 Ca -0.44 -0.23 -0.19 0.00 0.02 0.00 0.00 57.03 56.19 1i8j h ASP 241 Cb 1.30 -0.07 -0.24 0.00 0.22 0.00 0.00 39.33 40.54 1i8j h ASP 241 CO 0.72 1.19 -0.62 0.00 -1.72 0.00 0.00 179.24 178.80 1i8j s LEU 243 N -0.66 3.30 -0.14 0.00 1.43 -0.69 -1.60 118.68 120.32 1i8j s LEU 243 Ca -0.07 -0.78 -0.29 0.00 -1.03 0.00 0.00 54.13 51.96 1i8j s LEU 243 Cb -0.05 -1.97 0.07 0.00 0.03 0.00 0.00 46.19 44.27 1i8j s LEU 243 CO 0.00 -0.83 0.72 -0.32 0.23 0.00 0.00 176.35 176.15 1i8j s MET 244 N -4.26 0.94 -0.15 1.70 1.75 -1.06 -0.05 119.30 118.17 1i8j s MET 244 Ca 0.49 0.53 -0.01 0.00 -1.25 0.00 0.00 55.69 55.46 1i8j s MET 244 Cb -0.05 0.45 -0.01 0.00 2.84 0.00 0.00 34.83 38.06 1i8j s MET 244 CO 0.29 -0.23 -0.12 0.08 -0.65 0.00 0.00 175.02 174.39 1i8j s VAL 245 N -0.57 3.05 -0.08 10.11 1.01 -0.25 -1.10 120.40 132.56 1i8j s VAL 245 Ca -0.06 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 1i8j s VAL 245 Cb -0.02 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 34.10 1i8j s VAL 245 CO 0.06 0.51 0.18 -0.75 0.00 0.00 0.00 175.10 175.09 1i8j s LYS 246 N 0.62 0.09 0.99 2.72 2.20 -0.15 -1.74 119.74 124.47 1i8j s LYS 246 Ca -0.07 0.51 -0.12 0.00 -0.36 0.00 0.00 55.97 55.93 1i8j s LYS 246 Cb -0.15 -0.19 0.18 0.00 -1.51 0.00 0.00 37.83 36.15 1i8j s LYS 246 CO 0.03 -0.24 1.09 -2.14 -0.36 0.00 0.00 175.35 173.73 1i8j s PRO 247 N 1.77 0.49 -0.20 4.03 0.02 -1.26 -0.84 135.00 139.01 1i8j s PRO 247 Ca -0.03 0.62 -0.05 0.00 0.02 0.00 0.00 61.00 61.56 1i8j s PRO 247 Cb -0.12 -1.74 -0.11 0.00 0.02 0.00 0.00 34.50 32.56 1i8j s PRO 247 CO -0.06 -2.72 -0.22 0.00 -0.33 0.00 0.00 177.00 173.67 1i8j n ALA 248 N -4.18 1.63 -0.30 -1.55 0.00 -0.76 -4.36 120.51 111.00 1i8j n ALA 248 Ca 0.05 -0.82 0.12 0.00 0.00 0.00 0.00 53.44 52.80 1i8j n ALA 248 Cb 0.56 0.15 0.30 0.00 0.00 0.00 0.00 19.45 20.46 1i8j n ALA 248 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1i8j h GLY 249 N 0.30 1.51 -2.53 0.00 0.00 -1.95 -1.23 103.07 99.17 1i8j h GLY 249 Ca -0.48 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1i8j h GLY 249 CO -0.20 -0.24 0.00 0.00 0.00 0.00 0.00 176.54 176.10 1i8j n ALA 250 N -2.49 3.16 -2.32 3.60 0.00 -1.26 -4.39 120.51 116.80 1i8j n ALA 250 Ca 0.21 -1.86 0.01 0.00 0.00 0.00 0.00 53.44 51.81 1i8j n ALA 250 Cb 0.63 -0.88 0.07 0.00 0.00 0.00 0.00 19.45 19.27 1i8j n ALA 250 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1i8j n TYR 251 N 0.41 0.47 0.25 0.00 4.01 -0.47 -4.86 117.16 116.97 1i8j n TYR 251 Ca 0.23 -1.18 0.12 0.00 -0.16 0.00 0.00 57.90 56.91 1i8j n TYR 251 Cb 0.92 -0.20 0.64 0.00 -0.31 0.00 0.00 39.34 40.39 1i8j n TYR 251 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1i8j h LEU 252 N 1.41 0.00 -1.08 7.72 3.38 -1.74 -1.02 115.31 123.97 1i8j h LEU 252 Ca -0.11 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1i8j h LEU 252 Cb 1.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1i8j h LEU 252 CO 0.15 0.15 -0.19 -2.24 0.09 0.00 0.00 178.44 176.40 1i8j h ASP 253 N 0.00 0.41 -0.10 -0.43 2.03 -1.91 -2.02 116.42 114.40 1i8j h ASP 253 Ca -0.00 -0.12 -0.06 0.00 -0.73 0.00 0.00 57.03 56.12 1i8j h ASP 253 Cb 0.48 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 38.87 1i8j h ASP 253 CO 0.02 0.62 -0.19 0.40 -1.03 0.00 0.00 179.24 179.06 1i8j h ILE 254 N 0.38 1.39 -0.46 4.15 1.08 -1.59 -0.52 117.51 121.94 1i8j h ILE 254 Ca 0.07 -1.47 0.06 0.00 -0.39 0.00 0.00 64.86 63.12 1i8j h ILE 254 Cb 0.56 2.12 -0.05 0.00 -3.07 0.00 0.00 36.82 36.37 1i8j h ILE 254 CO 0.04 0.42 0.17 0.58 -0.69 0.00 0.00 178.15 178.67 1i8j h VAL 255 N -0.15 0.86 -0.26 1.67 2.07 -1.39 0.21 116.25 119.27 1i8j h VAL 255 Ca 0.00 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1i8j h VAL 255 Cb 0.77 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1i8j h VAL 255 CO 0.04 0.06 -0.04 -0.09 0.02 0.00 0.00 177.57 177.57 1i8j h ARG 256 N 0.35 0.48 -0.52 1.57 9.65 -1.12 0.20 114.38 125.00 1i8j h ARG 256 Ca 0.22 -0.17 -0.02 0.00 -1.10 0.00 0.00 59.98 58.91 1i8j h ARG 256 Cb 0.21 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 1i8j h ARG 256 CO -0.21 0.68 0.26 0.93 2.80 0.00 0.00 179.97 184.42 1i8j h GLU 257 N 0.23 0.74 -0.77 0.20 5.08 -0.83 -2.44 114.58 116.79 1i8j h GLU 257 Ca 0.07 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1i8j h GLU 257 Cb 0.49 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1i8j h GLU 257 CO 0.02 0.60 0.33 1.25 -1.00 0.00 0.00 179.01 180.21 1i8j h LEU 258 N 0.69 1.04 -1.61 1.33 5.85 -0.49 -2.40 115.31 119.72 1i8j h LEU 258 Ca 0.18 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.83 1i8j h LEU 258 Cb 0.10 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1i8j h LEU 258 CO -0.02 0.92 0.41 -0.09 -0.34 0.00 0.00 178.44 179.31 1i8j h ARG 259 N 1.10 0.43 -0.00 1.25 9.65 -0.11 -0.13 114.38 126.57 1i8j h ARG 259 Ca 0.26 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 1i8j h ARG 259 Cb 0.19 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1i8j h ARG 259 CO -0.02 0.29 -0.08 0.39 2.80 0.00 0.00 179.97 183.34 1i8j n GLU 260 N -4.47 0.02 0.00 0.20 -0.58 -0.93 -3.90 120.64 110.97 1i8j n GLU 260 Ca 0.10 -0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.92 1i8j n GLU 260 Cb 0.36 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.78 1i8j n GLU 260 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1i8j n ARG 261 N -1.49 1.51 -3.64 3.49 5.12 -0.08 -5.04 116.66 116.53 1i8j n ARG 261 Ca 0.07 -1.33 -0.12 0.00 -1.93 0.00 0.00 57.85 54.55 1i8j n ARG 261 Cb 0.34 -1.32 -0.05 0.00 -1.16 0.00 0.00 32.46 30.26 1i8j n ARG 261 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1i8j s THR 262 N -1.61 0.06 -2.17 0.55 -1.32 -1.13 -5.04 115.64 104.98 1i8j s THR 262 Ca 0.18 -0.49 0.21 0.00 -1.21 0.00 0.00 61.69 60.39 1i8j s THR 262 Cb 0.14 -1.05 0.06 0.00 -1.51 0.00 0.00 72.50 70.14 1i8j s THR 262 CO 0.28 -0.27 1.08 -0.62 -2.21 0.00 0.00 174.62 172.88 1i8j n GLU 263 N 0.18 1.60 -1.47 7.08 -0.58 -1.26 -4.85 120.64 121.33 1i8j n GLU 263 Ca -0.17 -1.25 -0.32 0.00 -0.42 0.00 0.00 57.16 55.00 1i8j n GLU 263 Cb 0.62 -1.41 0.07 0.00 -0.57 0.00 0.00 31.44 30.14 1i8j n GLU 263 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1i8j s LEU 264 N -2.15 3.16 0.51 -4.62 1.43 -1.26 -5.01 118.68 110.73 1i8j s LEU 264 Ca 0.20 1.82 -0.22 0.00 -1.03 0.00 0.00 54.13 54.90 1i8j s LEU 264 Cb 0.17 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.81 1i8j s LEU 264 CO 0.43 -1.78 1.21 -2.84 0.23 0.00 0.00 176.35 173.60 1i8j s PRO 265 N -4.71 3.46 -0.11 1.29 0.02 -1.26 -4.92 135.00 128.76 1i8j s PRO 265 Ca 0.62 1.86 -0.00 0.00 0.02 0.00 0.00 61.00 63.50 1i8j s PRO 265 Cb -0.17 -2.26 0.02 0.00 0.02 0.00 0.00 34.50 32.11 1i8j s PRO 265 CO 0.52 -0.82 -0.09 0.42 -0.33 0.00 0.00 177.00 176.70 1i8j s ILE 266 N -1.52 1.09 0.30 2.83 1.01 -1.26 -1.70 121.20 121.95 1i8j s ILE 266 Ca 0.68 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.97 1i8j s ILE 266 Cb -0.31 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1i8j s ILE 266 CO 0.36 0.38 0.53 -0.83 0.00 0.00 0.00 174.94 175.38 1i8j s GLY 267 N 1.61 1.65 -0.03 6.18 0.00 0.93 -0.56 107.32 117.11 1i8j s GLY 267 Ca 0.04 -0.73 -0.01 0.00 0.00 0.00 0.00 44.72 44.02 1i8j s GLY 267 CO -0.08 -0.64 0.04 0.00 0.00 0.00 0.00 173.10 172.42 1i8j s ALA 268 N -2.15 0.15 -0.43 3.20 0.00 -0.28 -1.09 121.76 121.16 1i8j s ALA 268 Ca 0.42 0.25 -0.18 0.00 0.00 0.00 0.00 51.96 52.45 1i8j s ALA 268 Cb -0.10 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1i8j s ALA 268 CO 0.32 -0.24 0.47 -0.47 0.00 0.00 0.00 175.76 175.84 1i8j s TYR 269 N 1.47 3.15 -0.88 0.00 6.14 -0.71 -1.18 117.35 125.33 1i8j s TYR 269 Ca -0.04 -0.35 -0.25 0.00 0.64 0.00 0.00 57.07 57.07 1i8j s TYR 269 Cb -0.13 -2.99 0.01 0.00 0.42 0.00 0.00 41.96 39.27 1i8j s TYR 269 CO -0.03 -0.74 1.58 -1.14 0.64 0.00 0.00 175.55 175.85 1i8j s GLN 270 N 2.25 3.15 0.98 4.97 0.74 -0.02 -1.82 119.66 129.90 1i8j s GLN 270 Ca 0.13 -0.53 -0.11 0.00 0.05 0.00 0.00 55.36 54.91 1i8j s GLN 270 Cb -0.17 -4.92 0.18 0.00 1.10 0.00 0.00 33.01 29.20 1i8j s GLN 270 CO 0.14 -2.53 1.10 0.14 -0.55 0.00 0.00 175.29 173.59 1i8j s VAL 271 N 6.82 2.21 0.33 1.34 -7.23 -1.26 -4.54 120.40 118.07 1i8j s VAL 271 Ca 0.52 0.07 0.08 0.00 -1.81 0.00 0.00 61.98 60.83 1i8j s VAL 271 Cb -0.05 -2.19 0.32 0.00 0.56 0.00 0.00 36.38 35.02 1i8j s VAL 271 CO 0.01 -0.09 1.80 0.77 -0.31 0.00 0.00 175.10 177.29 1i8j h SER 272 N -2.01 0.73 -0.73 4.85 4.64 -1.94 -1.11 113.55 117.97 1i8j h SER 272 Ca -0.49 0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1i8j h SER 272 Cb 1.29 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.28 1i8j h SER 272 CO 0.46 0.29 0.44 1.23 -0.87 0.00 0.00 176.83 178.38 1i8j h GLY 273 N 0.72 1.06 0.89 -0.77 0.00 -1.28 0.31 103.07 104.01 1i8j h GLY 273 Ca 0.54 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 1i8j h GLY 273 CO -0.32 0.43 0.05 0.83 0.00 0.00 0.00 176.54 177.53 1i8j h GLU 274 N 1.00 0.52 -0.31 4.80 5.08 -1.47 -0.32 114.58 123.88 1i8j h GLU 274 Ca 0.26 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1i8j h GLU 274 Cb -0.03 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1i8j h GLU 274 CO -0.05 0.62 0.05 -0.92 -1.00 0.00 0.00 179.01 177.70 1i8j h TYR 275 N 0.35 0.08 -0.33 4.33 5.03 -0.95 -1.38 116.97 124.10 1i8j h TYR 275 Ca 0.10 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.42 1i8j h TYR 275 Cb 0.35 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.62 1i8j h TYR 275 CO 0.02 0.01 0.20 0.00 -1.32 0.00 0.00 178.16 177.07 1i8j h ALA 276 N 1.23 0.42 -0.39 1.82 0.00 -0.08 -0.89 119.26 121.38 1i8j h ALA 276 Ca 0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1i8j h ALA 276 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1i8j h ALA 276 CO -0.20 -0.09 0.02 0.52 0.00 0.00 0.00 179.25 179.50 1i8j h MET 277 N 0.43 0.61 0.22 0.00 2.86 -0.75 -1.29 114.93 117.01 1i8j h MET 277 Ca 0.12 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1i8j h MET 277 Cb 0.00 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1i8j h MET 277 CO -0.02 0.62 -0.11 0.82 1.06 0.00 0.00 176.91 179.28 1i8j h ILE 278 N 0.58 0.83 -0.37 -1.22 2.04 -0.90 -2.85 117.51 115.63 1i8j h ILE 278 Ca 0.12 -0.81 0.07 0.00 1.00 0.00 0.00 64.86 65.25 1i8j h ILE 278 Cb 0.34 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 1i8j h ILE 278 CO 0.01 0.17 -0.04 0.11 0.00 0.00 0.00 178.15 178.40 1i8j h LYS 279 N -0.74 0.06 0.00 2.37 1.79 -1.05 -1.26 116.57 117.73 1i8j h LYS 279 Ca -0.03 -0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.35 1i8j h LYS 279 Cb 0.50 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1i8j h LYS 279 CO 0.05 0.04 -0.39 0.74 -1.08 0.00 0.00 179.45 178.81 1i8j h PHE 280 N 0.06 0.00 0.00 -1.35 0.04 -1.34 0.28 116.94 114.63 1i8j h PHE 280 Ca 0.18 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.73 1i8j h PHE 280 Cb 0.26 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.41 1i8j h PHE 280 CO -0.29 0.39 -0.93 0.00 -0.60 0.00 0.00 178.31 176.88 1i8j h ALA 281 N 1.61 0.39 -0.39 2.45 0.00 -1.25 -0.97 119.26 121.10 1i8j h ALA 281 Ca -0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 54.91 54.05 1i8j h ALA 281 Cb 0.77 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1i8j h ALA 281 CO 0.05 0.84 -0.31 0.00 0.00 0.00 0.00 179.25 179.83 1i8j h ALA 282 N 0.79 0.56 -0.71 0.00 0.00 -0.84 -1.05 119.26 118.01 1i8j h ALA 282 Ca -0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1i8j h ALA 282 Cb 1.57 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1i8j h ALA 282 CO 0.16 0.61 0.23 -0.07 0.00 0.00 0.00 179.25 180.17 1i8j h LEU 283 N 0.71 1.01 0.00 0.00 3.38 -0.88 0.18 115.31 119.71 1i8j h LEU 283 Ca 0.07 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1i8j h LEU 283 Cb 0.89 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1i8j h LEU 283 CO 0.08 0.93 0.00 0.00 0.09 0.00 0.00 178.44 179.54 1i8j n ALA 284 N -2.45 2.28 -1.11 1.53 0.00 -0.38 -4.87 120.51 115.51 1i8j n ALA 284 Ca 0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 1i8j n ALA 284 Cb 0.22 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 1i8j n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8j n GLY 285 N 0.31 0.49 0.14 0.00 0.00 0.64 -4.91 105.19 101.86 1i8j n GLY 285 Ca 0.14 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1i8j n GLY 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i8j h ALA 286 N 0.00 0.75 -2.42 4.61 0.00 -1.39 -3.47 119.26 117.34 1i8j h ALA 286 Ca -0.08 -0.51 -0.18 0.00 0.00 0.00 0.00 54.91 54.14 1i8j h ALA 286 Cb 0.77 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.32 1i8j h ALA 286 CO 0.11 0.71 -0.64 0.96 0.00 0.00 0.00 179.25 180.39 1i8j s ILE 287 N -3.20 0.11 -0.36 0.00 -4.36 -1.21 -5.02 121.20 107.16 1i8j s ILE 287 Ca 0.02 -1.89 -0.19 0.00 -0.26 0.00 0.00 60.65 58.33 1i8j s ILE 287 Cb 0.10 -2.01 0.00 0.00 1.25 0.00 0.00 42.46 41.80 1i8j s ILE 287 CO 0.74 -0.49 0.56 -0.62 0.24 0.00 0.00 174.94 175.37 1i8j s ASP 288 N -3.04 6.35 0.13 4.36 -1.08 -1.26 -4.39 116.67 117.74 1i8j s ASP 288 Ca 0.23 -0.02 -0.24 0.00 -0.52 0.00 0.00 52.55 51.99 1i8j s ASP 288 Cb 0.07 -2.29 -0.03 0.00 -1.46 0.00 0.00 42.92 39.21 1i8j s ASP 288 CO 0.01 -0.54 1.64 -0.08 0.52 0.00 0.00 175.17 176.72 1i8j h GLU 289 N 8.50 -0.31 -0.66 4.34 4.81 -1.91 -1.01 114.58 128.34 1i8j h GLU 289 Ca -0.27 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1i8j h GLU 289 Cb 1.12 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1i8j h GLU 289 CO 0.80 -0.21 0.41 1.49 -0.73 0.00 0.00 179.01 180.78 1i8j h GLU 290 N -0.32 0.89 -0.40 1.92 4.81 -1.99 0.23 114.58 119.72 1i8j h GLU 290 Ca 0.08 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 1i8j h GLU 290 Cb 0.43 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1i8j h GLU 290 CO -0.24 0.63 -0.26 0.87 -0.73 0.00 0.00 179.01 179.27 1i8j h LYS 291 N 0.90 0.84 -0.19 1.92 1.57 -1.96 -1.34 116.57 118.31 1i8j h LYS 291 Ca 0.24 -0.36 -0.15 0.00 -1.87 0.00 0.00 60.65 58.51 1i8j h LYS 291 Cb -0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1i8j h LYS 291 CO -0.05 1.00 -0.49 0.28 -0.57 0.00 0.00 179.45 179.62 1i8j h VAL 292 N 0.72 1.32 -0.09 0.50 2.07 -0.66 -1.72 116.25 118.38 1i8j h VAL 292 Ca 0.09 -1.71 -0.03 0.00 0.82 0.00 0.00 66.70 65.87 1i8j h VAL 292 Cb 0.80 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1i8j h VAL 292 CO 0.07 0.53 -0.05 0.58 0.02 0.00 0.00 177.57 178.71 1i8j h VAL 293 N 0.40 1.33 -0.45 2.57 2.07 -0.49 -1.33 116.25 120.36 1i8j h VAL 293 Ca 0.02 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1i8j h VAL 293 Cb 1.01 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 1i8j h VAL 293 CO 0.09 0.31 0.12 -0.07 0.02 0.00 0.00 177.57 178.04 1i8j h LEU 294 N -0.18 0.61 -0.25 2.57 3.38 -1.21 0.12 115.31 120.35 1i8j h LEU 294 Ca 0.02 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1i8j h LEU 294 Cb 0.52 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1i8j h LEU 294 CO 0.02 0.60 -0.22 -0.08 0.09 0.00 0.00 178.44 178.85 1i8j h GLU 295 N 0.65 0.59 -0.09 1.13 4.81 -1.27 0.71 114.58 121.11 1i8j h GLU 295 Ca 0.15 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1i8j h GLU 295 Cb 0.22 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1i8j h GLU 295 CO -0.01 0.89 0.05 0.77 -0.73 0.00 0.00 179.01 179.98 1i8j h SER 296 N 0.30 0.11 -0.44 1.04 0.02 -0.89 -0.62 113.55 113.06 1i8j h SER 296 Ca 0.04 -0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.78 1i8j h SER 296 Cb 0.77 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1i8j h SER 296 CO 0.06 0.15 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.55 1i8j h LEU 297 N 0.06 1.00 -1.65 5.07 3.38 -0.77 -2.87 115.31 119.53 1i8j h LEU 297 Ca 0.03 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1i8j h LEU 297 Cb 0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1i8j h LEU 297 CO -0.01 1.21 0.14 1.23 0.09 0.00 0.00 178.44 181.10 1i8j h GLY 298 N 0.80 0.40 1.29 0.83 0.00 -0.60 -2.40 103.07 103.39 1i8j h GLY 298 Ca 0.09 -0.16 -0.14 0.00 0.00 0.00 0.00 47.33 47.12 1i8j h GLY 298 CO 0.08 0.16 -0.34 1.76 0.00 0.00 0.00 176.54 178.20 1i8j h SER 299 N 0.38 0.83 -0.70 0.19 0.02 -0.97 0.64 113.55 113.94 1i8j h SER 299 Ca 0.10 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 1i8j h SER 299 Cb 0.03 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 1i8j h SER 299 CO -0.02 1.09 0.32 0.40 -1.14 0.00 0.00 176.83 177.49 1i8j h ILE 300 N 0.66 1.24 0.07 3.27 2.04 -1.23 0.16 117.51 123.73 1i8j h ILE 300 Ca 0.07 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1i8j h ILE 300 Cb 0.88 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1i8j h ILE 300 CO 0.08 0.28 -0.03 0.11 0.00 0.00 0.00 178.15 178.59 1i8j h LYS 301 N 0.98 -0.09 -0.71 2.37 1.79 -1.27 -2.47 116.57 117.17 1i8j h LYS 301 Ca 0.24 0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.84 1i8j h LYS 301 Cb 0.15 0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 30.73 1i8j h LYS 301 CO -0.03 -0.05 0.29 -0.09 -1.08 0.00 0.00 179.45 178.50 1i8j h ARG 302 N -0.11 0.45 0.00 3.15 2.43 -0.43 -1.98 114.38 117.89 1i8j h ARG 302 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1i8j h ARG 302 Cb 0.09 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1i8j h ARG 302 CO 0.02 0.30 0.00 0.00 -1.51 0.00 0.00 179.97 178.77 1i8j n ALA 303 N -2.49 1.46 0.00 2.80 0.00 0.01 -4.85 120.51 117.43 1i8j n ALA 303 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1i8j n ALA 303 Cb 0.35 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1i8j n ALA 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8j n GLY 304 N -0.49 1.06 3.77 0.00 0.00 -0.75 -2.64 105.19 106.15 1i8j n GLY 304 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1i8j n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i8j s ALA 305 N -1.97 3.29 -0.13 4.61 0.00 -0.94 -4.78 121.76 121.84 1i8j s ALA 305 Ca 0.00 0.94 -0.08 0.00 0.00 0.00 0.00 51.96 52.82 1i8j s ALA 305 Cb 0.00 -3.36 -0.25 0.00 0.00 0.00 0.00 23.12 19.51 1i8j s ALA 305 CO 0.00 -0.35 0.33 -0.25 0.00 0.00 0.00 175.76 175.49 1i8j n ASP 306 N 0.60 2.10 -4.24 0.00 9.92 0.28 -4.60 116.55 120.60 1i8j n ASP 306 Ca 0.02 0.23 -0.25 0.00 -0.53 0.00 0.00 54.79 54.25 1i8j n ASP 306 Cb 0.46 -0.87 -0.14 0.00 -0.64 0.00 0.00 41.12 39.93 1i8j n ASP 306 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1i8j s LEU 307 N -7.13 2.16 -0.10 0.64 1.43 -1.20 -4.73 118.68 109.75 1i8j s LEU 307 Ca -0.23 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.39 1i8j s LEU 307 Cb 0.07 -0.95 0.01 0.00 0.03 0.00 0.00 46.19 45.34 1i8j s LEU 307 CO 0.74 0.16 -0.18 -0.63 0.23 0.00 0.00 176.35 176.67 1i8j s ILE 308 N -0.78 1.68 -0.38 -0.59 1.01 0.37 -1.12 121.20 121.39 1i8j s ILE 308 Ca 0.07 -0.77 -0.21 0.00 0.00 0.00 0.00 60.65 59.73 1i8j s ILE 308 Cb -0.09 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.89 1i8j s ILE 308 CO 0.02 0.48 0.68 -0.36 0.00 0.00 0.00 174.94 175.75 1i8j s PHE 309 N 0.71 3.12 -0.03 3.97 0.08 -0.33 -0.74 117.98 124.76 1i8j s PHE 309 Ca -0.12 0.33 0.01 0.00 0.12 0.00 0.00 56.93 57.27 1i8j s PHE 309 Cb -0.16 -3.27 0.02 0.00 -0.57 0.00 0.00 43.02 39.04 1i8j s PHE 309 CO 0.02 -0.71 -0.03 0.45 -0.10 0.00 0.00 175.22 174.85 1i8j s SER 310 N 1.86 0.64 0.00 1.36 0.15 -0.75 -0.84 113.70 116.12 1i8j s SER 310 Ca 0.26 -0.08 0.26 0.00 0.70 0.00 0.00 55.95 57.09 1i8j s SER 310 Cb -0.14 -0.26 1.28 0.00 -1.71 0.00 0.00 66.02 65.19 1i8j s SER 310 CO 0.16 -0.04 1.88 -1.22 1.20 0.00 0.00 173.24 175.23 1i8j n TYR 311 N 3.77 0.00 1.12 3.44 4.01 -1.26 -2.68 117.16 125.57 1i8j n TYR 311 Ca -0.23 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.63 1i8j n TYR 311 Cb 0.53 -0.34 0.25 0.00 -0.31 0.00 0.00 39.34 39.47 1i8j n TYR 311 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1i8j n PHE 312 N -1.34 0.00 -0.32 -0.72 3.72 -1.26 -4.58 117.46 112.96 1i8j n PHE 312 Ca 0.11 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.60 1i8j n PHE 312 Cb 0.23 -0.14 0.26 0.00 -0.94 0.00 0.00 39.48 38.90 1i8j n PHE 312 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i8j h ALA 313 N 3.44 1.44 -0.19 4.37 0.00 -1.86 -2.33 119.26 124.13 1i8j h ALA 313 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1i8j h ALA 313 Cb 0.53 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1i8j h ALA 313 CO 0.00 -0.04 -0.09 1.25 0.00 0.00 0.00 179.25 180.37 1i8j h LEU 314 N 0.72 0.42 -0.48 0.00 5.85 -1.86 -0.56 115.31 119.41 1i8j h LEU 314 Ca 0.51 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1i8j h LEU 314 Cb 0.71 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1i8j h LEU 314 CO -0.36 0.74 0.14 0.44 -0.34 0.00 0.00 178.44 179.06 1i8j h ASP 315 N 0.10 0.70 -1.00 1.25 5.19 -1.86 0.64 116.42 121.44 1i8j h ASP 315 Ca 0.04 -0.22 0.02 0.00 -0.62 0.00 0.00 57.03 56.26 1i8j h ASP 315 Cb 0.58 -0.18 -0.05 0.00 0.18 0.00 0.00 39.33 39.85 1i8j h ASP 315 CO 0.03 0.73 0.66 -0.07 -3.12 0.00 0.00 179.24 177.47 1i8j h LEU 316 N 0.64 1.12 0.17 1.55 3.38 -1.41 0.98 115.31 121.74 1i8j h LEU 316 Ca 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1i8j h LEU 316 Cb 0.29 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1i8j h LEU 316 CO -0.00 0.79 -0.08 0.00 0.09 0.00 0.00 178.44 179.23 1i8j h ALA 317 N 1.39 -0.23 -0.60 1.53 0.00 -0.46 -0.09 119.26 120.81 1i8j h ALA 317 Ca 0.38 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1i8j h ALA 317 Cb -0.07 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1i8j h ALA 317 CO -0.10 -0.36 0.07 0.93 0.00 0.00 0.00 179.25 179.79 1i8j h GLU 318 N -0.78 0.98 0.00 0.00 5.08 0.34 -2.18 114.58 118.03 1i8j h GLU 318 Ca -0.02 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1i8j h GLU 318 Cb 0.52 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1i8j h GLU 318 CO 0.04 0.92 0.00 1.63 -1.00 0.00 0.00 179.01 180.60 1i8j n LYS 319 N -4.21 0.90 -2.11 2.33 5.02 0.33 -4.85 118.16 115.57 1i8j n LYS 319 Ca 0.04 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 1i8j n LYS 319 Cb 0.29 -1.11 -0.02 0.00 -0.02 0.00 0.00 35.03 34.17 1i8j n LYS 319 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1i8j n LYS 320 N -0.61 -1.87 0.12 1.97 -0.00 -0.82 -4.85 118.16 112.10 1i8j n LYS 320 Ca 0.05 0.72 -0.02 0.00 -0.00 0.00 0.00 58.31 59.05 1i8j n LYS 320 Cb 0.02 -5.22 0.18 0.00 -0.00 0.00 0.00 35.03 30.01 1i8j n LYS 320 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1i8j h ILE 321 N 0.00 1.39 -4.14 0.58 2.04 -1.27 -3.43 117.51 112.68 1i8j h ILE 321 Ca -0.31 -1.91 -0.50 0.00 1.00 0.00 0.00 64.86 63.13 1i8j h ILE 321 Cb 1.14 1.99 -0.26 0.00 -0.74 0.00 0.00 36.82 38.95 1i8j h ILE 321 CO 0.40 0.56 -0.82 -0.76 0.00 0.00 0.00 178.15 177.53 1i8j s LEU 322 N -7.85 2.13 0.00 1.44 1.43 -0.89 -5.04 118.68 109.90 1i8j s LEU 322 Ca -0.03 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1i8j s LEU 322 Cb 0.13 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.58 1i8j s LEU 322 CO 0.77 0.11 0.38 -2.11 0.23 0.00 0.00 176.35 175.73