#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 4.87 -0.09 8.00 1.01 -1.26 -5.05 116.67 124.16 1i8j s ASP 2 Ca 0.00 -1.05 -0.04 0.00 0.71 0.00 0.00 52.55 52.17 1i8j s ASP 2 Cb 0.00 -1.76 0.05 0.00 1.01 0.00 0.00 42.92 42.22 1i8j s ASP 2 CO 0.00 -0.23 0.19 -0.76 0.21 0.00 0.00 175.17 174.58 1i8j s LEU 3 N 1.34 0.26 -0.16 1.23 1.43 -1.26 -5.05 118.68 116.48 1i8j s LEU 3 Ca -0.02 0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 53.35 1i8j s LEU 3 Cb -0.18 0.46 -0.23 0.00 0.03 0.00 0.00 46.19 46.27 1i8j s LEU 3 CO -0.01 -0.20 0.31 0.16 0.23 0.00 0.00 176.35 176.85 1i8j h ILE 4 N 6.15 0.77 -3.38 -0.59 -0.00 -2.10 -3.45 117.51 114.91 1i8j h ILE 4 Ca -0.29 -2.27 -0.59 0.00 -0.00 0.00 0.00 64.86 61.70 1i8j h ILE 4 Cb 1.13 2.39 -0.09 0.00 -0.00 0.00 0.00 36.82 40.25 1i8j h ILE 4 CO 0.29 0.63 0.58 -1.10 -0.00 0.00 0.00 178.15 178.55 1i8j s GLN 5 N -2.47 4.00 -0.41 0.16 -1.52 -1.26 -5.00 119.66 113.17 1i8j s GLN 5 Ca -0.25 0.79 0.01 0.00 -1.95 0.00 0.00 55.36 53.96 1i8j s GLN 5 Cb 0.06 -3.73 0.14 0.00 -0.22 0.00 0.00 33.01 29.26 1i8j s GLN 5 CO 0.69 -0.77 0.23 1.03 -0.25 0.00 0.00 175.29 176.22 1i8j s ARG 6 N 3.23 1.01 0.31 2.91 0.52 -1.26 -4.98 118.95 120.69 1i8j s ARG 6 Ca 0.38 -1.74 0.08 0.00 -0.52 0.00 0.00 55.73 53.93 1i8j s ARG 6 Cb -0.13 -1.95 0.88 0.00 0.52 0.00 0.00 34.95 34.27 1i8j s ARG 6 CO 0.13 -1.18 1.69 -1.35 0.02 0.00 0.00 175.30 174.62 1i8j h PRO 7 N 6.85 0.40 -0.29 3.54 0.11 -2.02 -1.12 132.00 139.46 1i8j h PRO 7 Ca 0.01 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.18 1i8j h PRO 7 Cb 0.94 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1i8j h PRO 7 CO 0.40 0.27 0.33 0.00 -0.21 0.00 0.00 178.00 178.79 1i8j h ARG 8 N 0.41 0.00 -0.91 1.05 3.08 -1.99 -2.88 114.38 113.15 1i8j h ARG 8 Ca 0.64 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.87 1i8j h ARG 8 Cb 1.30 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.27 1i8j h ARG 8 CO -0.55 0.00 0.59 0.00 -1.07 0.00 0.00 179.97 178.94 1i8j h ARG 9 N 0.00 0.51 -0.20 0.04 3.08 -1.64 -0.83 114.38 115.34 1i8j h ARG 9 Ca 0.14 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1i8j h ARG 9 Cb 0.81 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1i8j h ARG 9 CO -0.00 0.34 0.00 1.28 -1.07 0.00 0.00 179.97 180.52 1i8j n LEU 10 N -4.56 1.93 -0.85 3.04 4.77 -1.08 -3.80 117.00 116.45 1i8j n LEU 10 Ca 0.19 -0.81 0.08 0.00 -0.03 0.00 0.00 56.01 55.44 1i8j n LEU 10 Cb 0.61 -0.13 0.17 0.00 -2.33 0.00 0.00 43.42 41.74 1i8j n LEU 10 CO 0.29 0.41 0.63 0.54 -1.33 0.00 0.00 177.39 177.92 1i8j n ARG 11 N 0.50 2.22 -0.06 3.23 1.74 -0.32 -3.32 116.66 120.65 1i8j n ARG 11 Ca 0.16 -2.00 -0.04 0.00 -0.77 0.00 0.00 57.85 55.20 1i8j n ARG 11 Cb 0.37 -1.38 0.19 0.00 -1.02 0.00 0.00 32.46 30.62 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 3.18 0.67 -4.83 5.56 1.79 -1.65 -3.46 116.57 117.83 1i8j h LYS 12 Ca 0.00 -0.20 -0.31 0.00 -2.18 0.00 0.00 60.65 57.97 1i8j h LYS 12 Cb 0.79 -0.07 -0.15 0.00 -1.58 0.00 0.00 32.23 31.23 1i8j h LYS 12 CO 0.00 0.74 -0.65 -1.54 -1.08 0.00 0.00 179.45 176.93 1i8j s SER 13 N -6.71 1.20 0.40 0.86 1.04 -1.26 -5.02 113.70 104.20 1i8j s SER 13 Ca -0.08 -1.24 0.09 0.00 0.48 0.00 0.00 55.95 55.19 1i8j s SER 13 Cb 0.14 0.13 0.83 0.00 0.10 0.00 0.00 66.02 67.23 1i8j s SER 13 CO 0.80 -0.62 1.97 -0.65 0.98 0.00 0.00 173.24 175.73 1i8j h PRO 14 N 2.60 0.34 -0.04 4.02 0.11 -1.97 -1.63 132.00 135.43 1i8j h PRO 14 Ca -0.37 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1i8j h PRO 14 Cb 1.22 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1i8j h PRO 14 CO 0.62 0.36 0.01 0.00 -0.21 0.00 0.00 178.00 178.77 1i8j h ALA 15 N 1.69 0.06 -0.40 -0.75 0.00 -1.97 -0.94 119.26 116.94 1i8j h ALA 15 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1i8j h ALA 15 Cb 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1i8j h ALA 15 CO 0.00 -0.29 0.26 -0.07 0.00 0.00 0.00 179.25 179.15 1i8j h LEU 16 N -0.19 0.47 -1.42 0.00 3.38 -1.76 -1.12 115.31 114.67 1i8j h LEU 16 Ca 0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1i8j h LEU 16 Cb 0.29 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1i8j h LEU 16 CO 0.00 0.34 0.19 0.03 0.09 0.00 0.00 178.44 179.09 1i8j h ARG 17 N 0.55 0.58 -0.39 1.13 3.08 -1.21 -1.73 114.38 116.39 1i8j h ARG 17 Ca 0.15 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 59.99 1i8j h ARG 17 Cb -0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1i8j h ARG 17 CO -0.03 0.46 -0.31 0.00 -1.07 0.00 0.00 179.97 179.02 1i8j h ALA 18 N 1.63 0.56 -0.65 0.04 0.00 -0.77 -1.40 119.26 118.67 1i8j h ALA 18 Ca 0.15 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1i8j h ALA 18 Cb 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1i8j h ALA 18 CO -0.02 0.61 0.14 0.52 0.00 0.00 0.00 179.25 180.50 1i8j h MET 19 N 0.70 1.03 -0.55 0.00 2.86 -0.58 -3.19 114.93 115.20 1i8j h MET 19 Ca 0.07 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1i8j h MET 19 Cb 0.89 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1i8j h MET 19 CO 0.08 0.93 0.00 1.19 1.06 0.00 0.00 176.91 180.17 1i8j n PHE 20 N -4.23 0.73 -2.05 -0.22 3.72 -0.71 -4.94 117.46 109.75 1i8j n PHE 20 Ca 0.05 -0.36 -0.42 0.00 -0.05 0.00 0.00 57.45 56.66 1i8j n PHE 20 Cb 0.26 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 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 -1.27 4.21 0.13 -1.08 2.12 -0.54 -4.93 118.70 117.34 1i8j s GLU 21 Ca 0.40 2.16 0.08 0.00 0.36 0.00 0.00 54.97 57.97 1i8j s GLU 21 Cb 0.21 -3.74 -0.19 0.00 0.26 0.00 0.00 34.13 30.67 1i8j s GLU 21 CO 0.28 -0.73 1.26 0.93 -0.54 0.00 0.00 175.26 176.46 1i8j h GLU 22 N 8.65 0.00 -6.32 4.30 5.08 -1.92 -3.46 114.58 120.91 1i8j h GLU 22 Ca -0.40 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.33 1i8j h GLU 22 Cb 1.18 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.16 1i8j h GLU 22 CO 0.93 0.93 -0.86 0.99 -1.00 0.00 0.00 179.01 180.00 1i8j s THR 23 N -2.73 1.84 0.12 1.13 2.01 -1.26 -5.14 115.64 111.61 1i8j s THR 23 Ca 0.01 -1.16 0.04 0.00 0.31 0.00 0.00 61.69 60.89 1i8j s THR 23 Cb 0.10 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 1i8j s THR 23 CO 0.81 0.36 -0.11 0.42 -0.69 0.00 0.00 174.62 175.42 1i8j s THR 24 N -0.70 1.10 -0.08 -0.82 -4.23 -1.26 -5.08 115.64 104.58 1i8j s THR 24 Ca 0.09 -1.81 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1i8j s THR 24 Cb -0.09 -1.58 0.02 0.00 1.34 0.00 0.00 72.50 72.19 1i8j s THR 24 CO 0.01 -0.60 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.16 1i8j s LEU 25 N -2.72 1.50 0.43 4.79 2.96 -1.26 -4.96 118.68 119.42 1i8j s LEU 25 Ca 0.10 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 53.79 1i8j s LEU 25 Cb -0.01 -0.80 -0.06 0.00 0.50 0.00 0.00 46.19 45.82 1i8j s LEU 25 CO 0.01 -0.01 0.08 -0.94 -1.32 0.00 0.00 176.35 174.16 1i8j s SER 26 N 0.96 4.11 0.45 3.68 1.04 -1.26 -4.90 113.70 117.78 1i8j s SER 26 Ca -0.09 -1.31 0.22 0.00 0.48 0.00 0.00 55.95 55.24 1i8j s SER 26 Cb -0.15 -0.28 1.05 0.00 0.10 0.00 0.00 66.02 66.74 1i8j s SER 26 CO 0.00 -0.55 1.91 0.25 0.98 0.00 0.00 173.24 175.83 1i8j h LEU 27 N 1.57 0.00 -2.14 2.42 7.12 -0.46 -2.71 115.31 121.12 1i8j h LEU 27 Ca -0.43 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.57 1i8j h LEU 27 Cb 1.26 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.38 1i8j h LEU 27 CO 0.76 0.24 -0.05 0.78 -0.13 0.00 0.00 178.44 180.04 1i8j h ASN 28 N 0.00 0.00 1.04 1.25 4.21 -1.91 -2.02 115.58 118.15 1i8j h ASN 28 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1i8j h ASN 28 Cb 0.58 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 1i8j h ASN 28 CO 0.03 0.05 0.00 0.47 -1.29 0.00 0.00 177.43 176.69 1i8j n ASP 29 N -4.07 0.37 -4.86 5.81 8.00 -1.02 -4.86 116.55 115.92 1i8j n ASP 29 Ca -0.03 0.55 -0.37 0.00 0.71 0.00 0.00 54.79 55.65 1i8j n ASP 29 Cb 0.13 -0.64 -0.06 0.00 -0.02 0.00 0.00 41.12 40.53 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 -3.73 4.43 -0.08 0.64 1.43 -0.76 0.32 118.68 120.93 1i8j s LEU 30 Ca 0.10 0.73 0.05 0.00 -1.03 0.00 0.00 54.13 53.98 1i8j s LEU 30 Cb 0.14 -2.37 -0.00 0.00 0.03 0.00 0.00 46.19 43.98 1i8j s LEU 30 CO 0.49 0.36 -0.24 -0.69 0.23 0.00 0.00 176.35 176.49 1i8j s VAL 31 N -1.08 2.06 -0.36 -1.59 1.01 0.60 -4.46 120.40 116.58 1i8j s VAL 31 Ca 0.20 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 1i8j s VAL 31 Cb -0.14 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 1i8j s VAL 31 CO 0.10 0.56 0.29 -0.22 0.00 0.00 0.00 175.10 175.82 1i8j s LEU 32 N 0.16 4.69 0.03 3.92 2.96 -0.46 -0.92 118.68 129.06 1i8j s LEU 32 Ca -0.13 -0.54 -0.30 0.00 -0.22 0.00 0.00 54.13 52.93 1i8j s LEU 32 Cb -0.16 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.28 1i8j s LEU 32 CO 0.07 -0.33 1.25 -2.84 -1.32 0.00 0.00 176.35 173.19 1i8j s PRO 33 N 1.78 4.38 -0.04 0.98 0.02 -1.26 -1.29 135.00 139.56 1i8j s PRO 33 Ca 0.07 1.81 0.07 0.00 0.02 0.00 0.00 61.00 62.97 1i8j s PRO 33 Cb -0.18 -3.43 -0.02 0.00 0.02 0.00 0.00 34.50 30.90 1i8j s PRO 33 CO 0.11 -0.38 -0.25 0.96 -0.33 0.00 0.00 177.00 177.11 1i8j s ILE 34 N 1.57 2.09 -0.25 2.83 -4.36 0.04 -4.88 121.20 118.24 1i8j s ILE 34 Ca 0.60 -1.07 -0.08 0.00 -0.26 0.00 0.00 60.65 59.83 1i8j s ILE 34 Cb -0.29 -1.74 -0.03 0.00 1.25 0.00 0.00 42.46 41.64 1i8j s ILE 34 CO 0.27 0.57 0.10 -0.36 0.24 0.00 0.00 174.94 175.76 1i8j s PHE 35 N -0.37 3.12 -0.16 1.37 0.08 -1.26 -0.89 117.98 119.86 1i8j s PHE 35 Ca 0.03 -0.29 0.02 0.00 0.12 0.00 0.00 56.93 56.81 1i8j s PHE 35 Cb -0.12 -2.26 0.02 0.00 -0.57 0.00 0.00 43.02 40.08 1i8j s PHE 35 CO 0.02 -0.29 -0.21 0.08 -0.10 0.00 0.00 175.22 174.71 1i8j s VAL 36 N 1.59 2.06 -0.21 -0.44 1.01 0.10 -0.39 120.40 124.13 1i8j s VAL 36 Ca 0.06 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 1i8j s VAL 36 Cb -0.15 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1i8j s VAL 36 CO 0.05 0.54 0.01 -0.70 0.00 0.00 0.00 175.10 175.01 1i8j s GLU 37 N 1.08 3.63 0.99 2.72 2.12 0.07 -0.76 118.70 128.55 1i8j s GLU 37 Ca -0.00 -0.51 -0.15 0.00 0.36 0.00 0.00 54.97 54.67 1i8j s GLU 37 Cb -0.14 -3.13 0.19 0.00 0.26 0.00 0.00 34.13 31.31 1i8j s GLU 37 CO -0.08 -0.02 1.17 -1.83 -0.54 0.00 0.00 175.26 173.96 1i8j s GLU 38 N 1.10 0.45 -1.17 4.30 -1.05 -1.21 -1.08 118.70 120.03 1i8j s GLU 38 Ca 0.03 0.06 -0.15 0.00 -0.15 0.00 0.00 54.97 54.76 1i8j s GLU 38 Cb -0.14 -1.78 0.15 0.00 -0.44 0.00 0.00 34.13 31.91 1i8j s GLU 38 CO 0.02 -2.62 0.37 0.39 0.95 0.00 0.00 175.26 174.37 1i8j n GLU 39 N -4.01 -1.43 -4.32 -4.83 1.02 -1.26 -4.86 120.64 100.95 1i8j n GLU 39 Ca 0.10 0.09 -0.17 0.00 -0.02 0.00 0.00 57.16 57.16 1i8j n GLU 39 Cb 0.59 -4.30 -0.10 0.00 -0.02 0.00 0.00 31.44 27.61 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 -2.67 0.71 -0.07 -3.67 -4.36 -1.26 -5.10 121.20 104.78 1i8j s ILE 40 Ca 0.52 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.92 1i8j s ILE 40 Cb -0.30 -2.52 -0.05 0.00 1.25 0.00 0.00 42.46 40.83 1i8j s ILE 40 CO 0.64 -0.13 -0.05 0.47 0.24 0.00 0.00 174.94 176.11 1i8j n ASP 41 N -0.44 3.48 -4.73 4.36 8.00 -1.26 -4.58 116.55 121.37 1i8j n ASP 41 Ca -0.02 -0.03 -0.35 0.00 0.71 0.00 0.00 54.79 55.10 1i8j n ASP 41 Cb 0.65 0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 41.68 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 -4.52 5.48 0.28 -2.24 1.01 -1.26 -4.89 116.67 110.53 1i8j s ASP 42 Ca -0.08 0.20 -0.30 0.00 0.71 0.00 0.00 52.55 53.08 1i8j s ASP 42 Cb 0.02 -1.59 -0.13 0.00 1.01 0.00 0.00 42.92 42.24 1i8j s ASP 42 CO 0.17 0.38 1.45 -1.22 0.21 0.00 0.00 175.17 176.16 1i8j n TYR 43 N 2.03 2.44 -4.34 4.23 4.02 -1.26 -4.76 117.16 119.51 1i8j n TYR 43 Ca -0.18 0.40 -0.34 0.00 -0.01 0.00 0.00 57.90 57.77 1i8j n TYR 43 Cb 0.54 -2.50 -0.13 0.00 -0.02 0.00 0.00 39.34 37.24 1i8j n TYR 43 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1i8j s LYS 44 N -0.81 3.61 0.43 -0.72 1.02 -1.04 -4.91 119.74 117.32 1i8j s LYS 44 Ca 0.64 -0.55 -0.23 0.00 0.02 0.00 0.00 55.97 55.85 1i8j s LYS 44 Cb -0.58 -2.93 -0.08 0.00 -0.52 0.00 0.00 37.83 33.72 1i8j s LYS 44 CO 0.52 0.16 1.09 0.00 -0.92 0.00 0.00 175.35 176.20 1i8j s ALA 45 N 0.58 3.02 -0.36 5.17 0.00 -1.26 -0.07 121.76 128.83 1i8j s ALA 45 Ca -0.03 0.77 -0.13 0.00 0.00 0.00 0.00 51.96 52.58 1i8j s ALA 45 Cb -0.14 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1i8j s ALA 45 CO 0.03 -0.38 0.24 0.08 0.00 0.00 0.00 175.76 175.72 1i8j s VAL 46 N -1.66 5.05 0.16 0.00 1.01 -0.32 -4.86 120.40 119.78 1i8j s VAL 46 Ca 0.61 -0.47 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 1i8j s VAL 46 Cb -0.24 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1i8j s VAL 46 CO 0.29 -0.11 1.80 -0.33 0.00 0.00 0.00 175.10 176.74 1i8j h GLU 47 N 8.49 0.46 0.00 2.72 4.39 -1.94 -1.86 114.58 126.84 1i8j h GLU 47 Ca -0.29 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1i8j h GLU 47 Cb 1.14 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1i8j h GLU 47 CO 0.66 0.30 0.00 0.00 -1.16 0.00 0.00 179.01 178.82 1i8j h ALA 48 N 1.19 1.00 -2.59 3.43 0.00 -1.93 -3.33 119.26 117.03 1i8j h ALA 48 Ca 0.17 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.47 1i8j h ALA 48 Cb 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.41 1i8j h ALA 48 CO -0.08 0.00 -0.75 -1.33 0.00 0.00 0.00 179.25 177.09 1i8j n MET 49 N -2.58 1.41 -1.35 0.00 2.81 -0.70 -4.60 117.12 112.11 1i8j n MET 49 Ca -0.00 -4.03 -0.54 0.00 -1.81 0.00 0.00 57.70 51.31 1i8j n MET 49 Cb 0.16 -1.99 -0.10 0.00 -0.71 0.00 0.00 33.22 30.58 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 1.89 0.43 0.00 0.03 -0.02 -1.24 -0.48 135.00 135.61 1i8j n PRO 50 Ca 0.25 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1i8j n PRO 50 Cb 0.42 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 7.03 2.81 3.88 -1.23 0.00 -1.26 -5.03 105.19 111.40 1i8j n GLY 51 Ca 0.50 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.48 5.10 -0.01 1.61 1.01 0.37 -5.01 120.40 120.98 1i8j s VAL 52 Ca 0.00 0.25 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 1i8j s VAL 52 Cb 0.00 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1i8j s VAL 52 CO 0.00 0.10 0.18 -0.04 0.00 0.00 0.00 175.10 175.33 1i8j s MET 53 N -2.45 0.49 0.21 2.72 -1.94 -1.26 -1.18 119.30 115.89 1i8j s MET 53 Ca 0.40 -0.27 -0.30 0.00 -1.71 0.00 0.00 55.69 53.81 1i8j s MET 53 Cb -0.13 0.21 -0.08 0.00 2.01 0.00 0.00 34.83 36.84 1i8j s MET 53 CO 0.22 -0.12 1.09 1.03 -0.01 0.00 0.00 175.02 177.23 1i8j s ARG 54 N -1.18 4.63 -0.15 2.03 0.52 0.90 -4.67 118.95 121.03 1i8j s ARG 54 Ca -0.13 1.72 -0.17 0.00 -0.52 0.00 0.00 55.73 56.64 1i8j s ARG 54 Cb -0.06 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 1i8j s ARG 54 CO 0.02 0.15 0.44 0.42 0.02 0.00 0.00 175.30 176.35 1i8j s ILE 55 N -0.57 5.20 0.31 1.52 1.01 0.48 -2.48 121.20 126.66 1i8j s ILE 55 Ca 0.47 0.85 -0.29 0.00 0.00 0.00 0.00 60.65 61.69 1i8j s ILE 55 Cb -0.30 -3.78 -0.10 0.00 0.01 0.00 0.00 42.46 38.30 1i8j s ILE 55 CO 0.36 0.30 1.17 -2.84 0.00 0.00 0.00 174.94 173.93 1i8j s PRO 56 N 0.85 4.51 0.43 2.79 0.02 -1.26 -0.75 135.00 141.59 1i8j s PRO 56 Ca 0.23 1.93 0.22 0.00 0.02 0.00 0.00 61.00 63.40 1i8j s PRO 56 Cb -0.15 -3.11 1.20 0.00 0.02 0.00 0.00 34.50 32.46 1i8j s PRO 56 CO 0.09 0.05 1.79 1.49 -0.33 0.00 0.00 177.00 180.10 1i8j h GLU 57 N 3.59 0.30 0.00 5.54 4.81 -1.35 0.44 114.58 127.90 1i8j h GLU 57 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1i8j h GLU 57 Cb 1.22 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1i8j h GLU 57 CO 0.66 0.20 0.00 1.57 -0.73 0.00 0.00 179.01 180.71 1i8j h LYS 58 N 0.30 0.00 0.00 1.92 2.10 -1.85 -2.80 116.57 116.24 1i8j h LYS 58 Ca 0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 1i8j h LYS 58 Cb 1.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.93 1i8j h LYS 58 CO -0.22 0.00 -0.87 0.72 -2.00 0.00 0.00 179.45 177.08 1i8j n HIS 59 N -2.82 0.00 -0.24 0.07 8.25 0.15 -4.64 115.22 115.99 1i8j n HIS 59 Ca 0.01 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.50 1i8j n HIS 59 Cb 0.26 -0.03 0.13 0.00 1.12 0.00 0.00 29.99 31.48 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 0.00 -0.36 -1.65 2.41 5.85 -1.09 0.52 115.31 121.00 1i8j h LEU 60 Ca 0.00 0.18 0.15 0.00 0.84 0.00 0.00 57.88 59.05 1i8j h LEU 60 Cb 0.43 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1i8j h LEU 60 CO 0.00 -0.16 0.48 0.00 -0.34 0.00 0.00 178.44 178.42 1i8j h ALA 61 N 1.66 2.18 -0.01 1.25 0.00 -1.82 0.23 119.26 122.75 1i8j h ALA 61 Ca 0.38 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1i8j h ALA 61 Cb 0.64 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1i8j h ALA 61 CO -0.63 -0.37 -0.38 -0.09 0.00 0.00 0.00 179.25 177.78 1i8j h ARG 62 N 0.35 0.27 -0.39 0.00 2.43 -1.27 -3.12 114.38 112.65 1i8j h ARG 62 Ca 0.35 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 1i8j h ARG 62 Cb 0.87 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1i8j h ARG 62 CO -0.10 0.98 -0.06 0.93 -1.51 0.00 0.00 179.97 180.22 1i8j h GLU 63 N -0.32 0.73 0.00 0.20 4.39 -0.63 -1.06 114.58 117.88 1i8j h GLU 63 Ca -0.04 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.37 1i8j h GLU 63 Cb 1.11 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1i8j h GLU 63 CO 0.07 0.85 -0.13 0.97 -1.16 0.00 0.00 179.01 179.61 1i8j h ILE 64 N 0.54 0.67 0.11 3.13 6.09 -1.09 0.20 117.51 127.16 1i8j h ILE 64 Ca 0.10 -0.55 -0.28 0.00 -1.37 0.00 0.00 64.86 62.76 1i8j h ILE 64 Cb 0.56 1.34 0.02 0.00 0.47 0.00 0.00 36.82 39.21 1i8j h ILE 64 CO 0.03 0.13 -1.20 -0.08 -3.07 0.00 0.00 178.15 173.96 1i8j h GLU 65 N 0.00 0.49 0.32 2.19 4.81 -1.44 -1.11 114.58 119.84 1i8j h GLU 65 Ca -0.00 -0.67 -0.02 0.00 -0.13 0.00 0.00 59.36 58.54 1i8j h GLU 65 Cb 0.33 0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1i8j h GLU 65 CO 0.02 1.29 -0.15 -0.09 -0.73 0.00 0.00 179.01 179.34 1i8j h ARG 66 N 0.21 -0.41 0.03 1.92 2.43 0.20 0.11 114.38 118.87 1i8j h ARG 66 Ca -0.16 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1i8j h ARG 66 Cb 1.88 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 31.48 1i8j h ARG 66 CO 0.22 -0.26 -0.27 0.82 -1.51 0.00 0.00 179.97 178.97 1i8j h ILE 67 N -0.45 0.40 -0.53 1.20 2.04 -0.71 -1.83 117.51 117.63 1i8j h ILE 67 Ca -0.04 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1i8j h ILE 67 Cb 0.34 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1i8j h ILE 67 CO 0.07 0.00 0.35 0.00 0.00 0.00 0.00 178.15 178.58 1i8j h ALA 68 N 0.36 1.67 0.00 1.87 0.00 -1.12 -1.40 119.26 120.64 1i8j h ALA 68 Ca 0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1i8j h ALA 68 Cb 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1i8j h ALA 68 CO -0.22 0.29 -0.37 -0.91 0.00 0.00 0.00 179.25 178.04 1i8j h ASN 69 N 0.67 0.00 0.81 0.00 2.35 -0.44 -2.39 115.58 116.58 1i8j h ASN 69 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1i8j h ASN 69 Cb -0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1i8j h ASN 69 CO -0.05 0.37 0.00 0.00 -1.65 0.00 0.00 177.43 176.10 1i8j n ALA 70 N -2.30 2.02 0.00 -0.83 0.00 -0.54 -4.89 120.51 113.97 1i8j n ALA 70 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1i8j n ALA 70 Cb 0.50 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1i8j n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8j n GLY 71 N 0.80 0.62 3.71 0.00 0.00 -0.90 -4.52 105.19 104.90 1i8j n GLY 71 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 3.27 -0.27 -0.61 -1.09 -1.13 -4.90 121.20 114.48 1i8j s ILE 72 Ca 0.00 0.85 0.23 0.00 -2.23 0.00 0.00 60.65 59.50 1i8j s ILE 72 Cb 0.00 -3.55 0.02 0.00 -1.58 0.00 0.00 42.46 37.36 1i8j s ILE 72 CO 0.00 0.04 1.09 0.03 -1.23 0.00 0.00 174.94 174.88 1i8j h ARG 73 N 7.22 0.00 -3.30 2.79 3.08 -1.88 -3.40 114.38 118.90 1i8j h ARG 73 Ca -0.41 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.54 1i8j h ARG 73 Cb 1.20 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.08 1i8j h ARG 73 CO 0.89 0.00 -0.26 0.45 -1.07 0.00 0.00 179.97 179.98 1i8j s SER 74 N -5.33 -0.12 0.11 7.04 0.15 -1.26 -1.46 113.70 112.82 1i8j s SER 74 Ca 0.00 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.49 1i8j s SER 74 Cb 0.10 0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 1i8j s SER 74 CO 0.78 -0.60 -0.05 0.68 1.20 0.00 0.00 173.24 175.26 1i8j s VAL 75 N -2.45 0.60 -0.19 4.45 -7.23 -0.26 -1.35 120.40 113.97 1i8j s VAL 75 Ca -0.06 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 1i8j s VAL 75 Cb -0.01 -1.75 0.04 0.00 0.56 0.00 0.00 36.38 35.22 1i8j s VAL 75 CO -0.03 -0.81 -0.13 -0.32 -0.31 0.00 0.00 175.10 173.51 1i8j s MET 76 N -3.87 2.24 -0.13 4.82 1.75 -0.41 -1.17 119.30 122.53 1i8j s MET 76 Ca 0.14 -0.84 -0.23 0.00 -1.25 0.00 0.00 55.69 53.51 1i8j s MET 76 Cb 0.06 -2.43 -0.03 0.00 2.84 0.00 0.00 34.83 35.27 1i8j s MET 76 CO -0.04 -0.37 0.69 0.95 -0.65 0.00 0.00 175.02 175.60 1i8j s THR 77 N 1.37 5.01 -0.11 10.11 -4.23 -0.18 -0.78 115.64 126.83 1i8j s THR 77 Ca 0.00 1.37 0.02 0.00 -1.18 0.00 0.00 61.69 61.90 1i8j s THR 77 Cb -0.15 -4.02 0.02 0.00 1.34 0.00 0.00 72.50 69.69 1i8j s THR 77 CO -0.09 0.17 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.64 1i8j s PHE 78 N 1.42 2.02 0.10 3.99 0.08 -0.07 -2.36 117.98 123.16 1i8j s PHE 78 Ca 0.34 -0.98 0.02 0.00 0.12 0.00 0.00 56.93 56.44 1i8j s PHE 78 Cb -0.17 -1.46 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 1i8j s PHE 78 CO 0.14 -0.50 0.16 0.20 -0.10 0.00 0.00 175.22 175.12 1i8j s GLY 79 N 1.04 1.96 -0.30 4.36 0.00 -1.26 -0.72 107.32 112.40 1i8j s GLY 79 Ca -0.05 -1.00 -0.07 0.00 0.00 0.00 0.00 44.72 43.59 1i8j s GLY 79 CO -0.03 -0.99 0.09 -0.42 0.00 0.00 0.00 173.10 171.76 1i8j s ILE 80 N -1.55 4.08 0.18 0.90 1.09 0.06 -4.89 121.20 121.07 1i8j s ILE 80 Ca 0.32 -0.64 -0.20 0.00 -1.10 0.00 0.00 60.65 59.04 1i8j s ILE 80 Cb -0.12 -3.10 -0.08 0.00 -1.06 0.00 0.00 42.46 38.10 1i8j s ILE 80 CO 0.25 0.08 0.68 -0.55 -0.10 0.00 0.00 174.94 175.30 1i8j s SER 81 N 1.52 7.07 -0.07 3.58 0.15 -1.25 -3.34 113.70 121.35 1i8j s SER 81 Ca 0.03 1.37 0.10 0.00 0.70 0.00 0.00 55.95 58.15 1i8j s SER 81 Cb -0.17 -2.40 0.15 0.00 -1.71 0.00 0.00 66.02 61.89 1i8j s SER 81 CO 0.03 0.11 1.07 1.41 1.20 0.00 0.00 173.24 177.06 1i8j n HIS 82 N 1.03 0.00 -2.83 3.44 8.25 -1.26 -4.67 115.22 119.18 1i8j n HIS 82 Ca -0.05 -0.74 -0.12 0.00 -0.26 0.00 0.00 57.72 56.55 1i8j n HIS 82 Cb 0.51 -0.10 0.02 0.00 1.12 0.00 0.00 29.99 31.54 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 -0.97 0.40 -2.12 4.41 8.25 -1.26 -5.11 115.22 118.82 1i8j n HIS 83 Ca 0.08 -3.02 -0.33 0.00 -0.26 0.00 0.00 57.72 54.19 1i8j n HIS 83 Cb 0.45 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 -2.51 3.87 0.30 1.59 -4.23 -1.26 -4.61 115.64 108.80 1i8j s THR 84 Ca 0.31 0.91 -0.13 0.00 -1.18 0.00 0.00 61.69 61.59 1i8j s THR 84 Cb 0.41 -3.42 0.05 0.00 1.34 0.00 0.00 72.50 70.89 1i8j s THR 84 CO -0.01 -0.50 0.69 -0.90 -0.54 0.00 0.00 174.62 173.36 1i8j n ASP 85 N -1.91 -1.83 0.25 3.99 5.68 -0.95 -4.78 116.55 117.00 1i8j n ASP 85 Ca 0.09 -2.22 0.08 0.00 -0.50 0.00 0.00 54.79 52.24 1i8j n ASP 85 Cb 0.53 3.04 0.62 0.00 -1.14 0.00 0.00 41.12 44.16 1i8j n ASP 85 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1i8j h GLU 86 N 0.00 0.00 -0.01 0.11 4.39 -1.94 0.09 114.58 117.22 1i8j h GLU 86 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1i8j h GLU 86 Cb 1.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1i8j h GLU 86 CO 0.34 0.13 -0.38 0.25 -1.16 0.00 0.00 179.01 178.19 1i8j n THR 87 N -4.12 0.00 -2.55 1.13 -2.24 -1.26 -4.67 114.28 100.57 1i8j n THR 87 Ca -0.02 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.33 1i8j n THR 87 Cb 0.21 1.10 0.01 0.00 -2.10 0.00 0.00 70.33 69.55 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 1.11 0.02 0.07 3.38 0.00 -1.19 -4.79 105.19 103.80 1i8j n GLY 88 Ca 0.04 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.80 1i8j n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i8j n SER 89 N -0.38 0.31 0.26 1.61 3.41 -1.26 -1.99 113.62 115.58 1i8j n SER 89 Ca -0.08 0.61 0.17 0.00 -0.26 0.00 0.00 58.87 59.31 1i8j n SER 89 Cb 0.57 -0.66 0.64 0.00 -0.26 0.00 0.00 64.21 64.50 1i8j n SER 89 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1i8j h ASP 90 N 0.00 0.00 0.42 4.04 3.58 -1.88 -2.41 116.42 120.17 1i8j h ASP 90 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1i8j h ASP 90 Cb 0.15 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1i8j h ASP 90 CO 0.00 0.00 -0.38 0.00 -2.88 0.00 0.00 179.24 175.98 1i8j h ALA 91 N 2.02 1.33 -0.36 -0.78 0.00 -1.78 -2.99 119.26 116.70 1i8j h ALA 91 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1i8j h ALA 91 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1i8j h ALA 91 CO 0.00 0.47 0.00 -2.67 0.00 0.00 0.00 179.25 177.05 1i8j n TRP 92 N -4.02 1.23 -2.65 0.00 2.14 -0.91 -4.67 117.44 108.55 1i8j n TRP 92 Ca -0.02 -0.81 -0.43 0.00 2.07 0.00 0.00 57.50 58.31 1i8j n TRP 92 Cb 0.42 -0.35 -0.02 0.00 -0.81 0.00 0.00 31.31 30.55 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 -2.70 4.32 0.47 -2.67 3.52 -1.13 -4.81 118.95 115.95 1i8j s ARG 93 Ca 0.45 1.40 0.19 0.00 -0.13 0.00 0.00 55.73 57.64 1i8j s ARG 93 Cb 0.35 -3.61 1.05 0.00 -1.56 0.00 0.00 34.95 31.18 1i8j s ARG 93 CO 0.11 -0.51 1.53 1.05 -0.81 0.00 0.00 175.30 176.68 1i8j h GLU 94 N 7.36 0.00 0.00 5.12 4.11 -1.92 0.96 114.58 130.22 1i8j h GLU 94 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1i8j h GLU 94 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1i8j h GLU 94 CO 0.93 0.00 -0.01 -3.47 0.07 0.00 0.00 179.01 176.52 1i8j n ASP 95 N -2.40 1.92 -3.94 3.06 -0.08 -1.26 -4.77 116.55 109.08 1i8j n ASP 95 Ca -0.01 -2.26 -0.30 0.00 -1.51 0.00 0.00 54.79 50.71 1i8j n ASP 95 Cb 0.37 -0.13 0.21 0.00 2.34 0.00 0.00 41.12 43.91 1i8j n ASP 95 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1i8j s GLY 96 N -1.49 1.72 0.24 0.27 0.00 0.33 -4.62 107.32 103.77 1i8j s GLY 96 Ca 0.09 -1.16 -0.07 0.00 0.00 0.00 0.00 44.72 43.58 1i8j s GLY 96 CO 0.01 -0.32 1.65 -2.00 0.00 0.00 0.00 173.10 172.43 1i8j h LEU 97 N -2.05 -0.26 -0.11 0.66 5.85 -1.88 -1.33 115.31 116.18 1i8j h LEU 97 Ca -0.44 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1i8j h LEU 97 Cb 1.25 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 42.55 1i8j h LEU 97 CO 0.34 -0.14 -0.09 0.58 -0.34 0.00 0.00 178.44 178.78 1i8j h VAL 98 N 0.13 0.73 -0.14 1.05 2.07 -1.86 0.17 116.25 118.41 1i8j h VAL 98 Ca 0.40 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.92 1i8j h VAL 98 Cb 0.69 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1i8j h VAL 98 CO -0.61 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.06 1i8j h ALA 99 N 0.98 0.17 -0.49 1.67 0.00 -1.66 -3.07 119.26 116.87 1i8j h ALA 99 Ca 0.08 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1i8j h ALA 99 Cb 0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1i8j h ALA 99 CO -0.18 -0.32 0.25 0.00 0.00 0.00 0.00 179.25 179.01 1i8j h ARG 100 N 0.15 0.48 -0.55 0.00 3.08 -1.03 0.34 114.38 116.86 1i8j h ARG 100 Ca 0.05 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.11 1i8j h ARG 100 Cb 0.02 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1i8j h ARG 100 CO -0.01 0.32 0.31 0.52 -1.07 0.00 0.00 179.97 180.05 1i8j h MET 101 N 0.50 0.59 0.51 0.04 2.86 -0.60 -0.54 114.93 118.29 1i8j h MET 101 Ca 0.21 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1i8j h MET 101 Cb 0.10 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 31.63 1i8j h MET 101 CO -0.14 0.39 -0.25 0.77 1.06 0.00 0.00 176.91 178.75 1i8j h SER 102 N 0.61 -0.58 -0.70 1.22 0.02 -1.41 -2.40 113.55 110.31 1i8j h SER 102 Ca 0.23 -0.05 0.10 0.00 -0.84 0.00 0.00 61.79 61.24 1i8j h SER 102 Cb 0.08 0.15 -0.12 0.00 0.14 0.00 0.00 62.40 62.66 1i8j h SER 102 CO -0.13 -0.29 -0.43 -0.09 -1.14 0.00 0.00 176.83 174.75 1i8j h ARG 103 N -0.88 -0.15 -0.74 3.45 2.43 -0.75 0.60 114.38 118.34 1i8j h ARG 103 Ca -0.07 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1i8j h ARG 103 Cb 0.60 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 1i8j h ARG 103 CO 0.12 -0.10 0.48 0.82 -1.51 0.00 0.00 179.97 179.78 1i8j h ILE 104 N -0.16 1.15 0.03 1.20 2.04 -1.12 -1.01 117.51 119.65 1i8j h ILE 104 Ca 0.21 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1i8j h ILE 104 Cb 0.55 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1i8j h ILE 104 CO -0.77 0.18 -0.01 0.00 0.00 0.00 0.00 178.15 177.54 1i8j h LYS 106 N -0.32 0.19 -0.20 0.00 1.79 -0.98 0.01 116.57 117.07 1i8j h LYS 106 Ca -0.00 -0.06 -0.15 0.00 -2.18 0.00 0.00 60.65 58.25 1i8j h LYS 106 Cb 0.30 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1i8j h LYS 106 CO 0.01 0.45 -0.46 1.96 -1.08 0.00 0.00 179.45 180.33 1i8j h GLN 107 N 0.17 0.67 -0.10 3.15 4.20 -1.12 -2.86 115.11 119.21 1i8j h GLN 107 Ca 0.03 -0.45 -0.09 0.00 0.06 0.00 0.00 58.65 58.20 1i8j h GLN 107 Cb 0.58 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1i8j h GLN 107 CO 0.04 1.07 -0.29 1.15 -0.67 0.00 0.00 178.83 180.14 1i8j h THR 108 N 0.37 1.40 -2.76 -0.54 2.02 -0.91 -3.41 112.91 109.07 1i8j h THR 108 Ca -0.00 -1.61 -0.60 0.00 0.77 0.00 0.00 66.41 64.97 1i8j h THR 108 Cb 1.07 2.17 -0.39 0.00 -1.74 0.00 0.00 68.15 69.25 1i8j h THR 108 CO 0.10 0.47 -0.80 -0.69 0.37 0.00 0.00 175.52 174.97 1i8j s VAL 109 N -3.85 0.84 0.45 3.16 1.01 -0.03 -4.98 120.40 116.99 1i8j s VAL 109 Ca -0.14 -2.30 0.23 0.00 0.00 0.00 0.00 61.98 59.77 1i8j s VAL 109 Cb 0.04 -1.59 0.43 0.00 0.00 0.00 0.00 36.38 35.26 1i8j s VAL 109 CO 0.78 -0.98 1.81 -0.65 0.00 0.00 0.00 175.10 176.05 1i8j h PRO 110 N 6.66 0.27 -0.01 2.72 0.11 -1.72 0.65 132.00 140.68 1i8j h PRO 110 Ca 0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1i8j h PRO 110 Cb 0.93 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1i8j h PRO 110 CO 0.39 0.18 -0.12 0.39 -0.21 0.00 0.00 178.00 178.63 1i8j n GLU 111 N -4.48 1.17 -2.19 1.05 4.71 -1.26 -4.89 120.64 114.75 1i8j n GLU 111 Ca 0.23 -0.63 -0.42 0.00 -0.01 0.00 0.00 57.16 56.34 1i8j n GLU 111 Cb 0.93 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 29.84 1i8j n GLU 111 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 1i8j s MET 112 N -2.27 4.35 -0.56 3.49 1.75 0.22 -4.96 119.30 121.32 1i8j s MET 112 Ca 0.32 2.07 -0.25 0.00 -1.25 0.00 0.00 55.69 56.58 1i8j s MET 112 Cb 0.20 -3.22 0.04 0.00 2.84 0.00 0.00 34.83 34.69 1i8j s MET 112 CO 0.43 -0.36 0.98 0.42 -0.65 0.00 0.00 175.02 175.84 1i8j s ILE 113 N 0.66 4.33 -0.43 10.11 -1.09 -0.54 -4.89 121.20 129.36 1i8j s ILE 113 Ca 0.61 0.35 -0.18 0.00 -2.23 0.00 0.00 60.65 59.20 1i8j s ILE 113 Cb -0.37 -4.57 0.03 0.00 -1.58 0.00 0.00 42.46 35.97 1i8j s ILE 113 CO 0.34 -1.16 0.46 -0.69 -1.23 0.00 0.00 174.94 172.66 1i8j s VAL 114 N 4.10 5.06 -0.26 2.92 1.01 -1.26 -1.10 120.40 130.86 1i8j s VAL 114 Ca 0.32 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 1i8j s VAL 114 Cb -0.12 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1i8j s VAL 114 CO 0.20 -0.47 0.11 -0.04 0.00 0.00 0.00 175.10 174.90 1i8j s MET 115 N 2.20 3.68 -0.37 2.72 -1.94 -0.32 0.70 119.30 125.97 1i8j s MET 115 Ca 0.13 -0.47 -0.16 0.00 -1.71 0.00 0.00 55.69 53.47 1i8j s MET 115 Cb -0.17 -3.43 0.00 0.00 2.01 0.00 0.00 34.83 33.24 1i8j s MET 115 CO 0.14 -0.22 0.41 0.45 -0.01 0.00 0.00 175.02 175.79 1i8j s SER 116 N 1.65 6.21 0.23 3.03 0.15 -0.70 -1.01 113.70 123.25 1i8j s SER 116 Ca 0.06 -0.33 -0.32 0.00 0.70 0.00 0.00 55.95 56.06 1i8j s SER 116 Cb -0.16 -2.22 -0.13 0.00 -1.71 0.00 0.00 66.02 61.81 1i8j s SER 116 CO 0.06 -0.44 1.58 -0.67 1.20 0.00 0.00 173.24 174.97 1i8j n ASP 117 N 5.52 3.48 -4.03 5.45 2.03 -0.99 -2.10 116.55 125.90 1i8j n ASP 117 Ca -0.08 1.11 -0.33 0.00 0.52 0.00 0.00 54.79 56.01 1i8j n ASP 117 Cb 0.49 -1.51 -0.12 0.00 -0.72 0.00 0.00 41.12 39.25 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 0.49 3.03 0.00 5.18 2.01 -0.24 -4.86 115.64 121.25 1i8j s THR 118 Ca 0.71 -2.92 0.00 0.00 0.31 0.00 0.00 61.69 59.79 1i8j s THR 118 Cb -0.57 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 68.87 1i8j s THR 118 CO 0.42 -0.79 0.00 0.00 -0.69 0.00 0.00 174.62 173.56 1i8j n PHE 120 N 0.00 0.00 0.13 0.00 3.72 -1.26 -4.86 117.46 115.19 1i8j n PHE 120 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 1i8j n PHE 120 Cb 0.00 0.00 0.42 0.00 -0.94 0.00 0.00 39.48 38.96 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 -2.05 0.07 -0.02 0.00 1.02 -1.26 -4.16 120.64 114.24 1i8j n GLU 122 Ca -0.01 -0.02 0.02 0.00 -0.02 0.00 0.00 57.16 57.13 1i8j n GLU 122 Cb 0.10 -1.51 0.03 0.00 -0.02 0.00 0.00 31.44 30.04 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 -1.58 0.04 -4.24 -0.32 4.01 0.32 -3.97 117.16 111.42 1i8j n TYR 123 Ca 0.03 -0.11 -0.32 0.00 -0.16 0.00 0.00 57.90 57.34 1i8j n TYR 123 Cb 0.36 -0.01 -0.09 0.00 -0.31 0.00 0.00 39.34 39.29 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 -0.52 4.08 0.36 -0.72 -4.23 -0.67 -2.24 115.64 111.69 1i8j s THR 124 Ca 0.06 -0.75 0.10 0.00 -1.18 0.00 0.00 61.69 59.93 1i8j s THR 124 Cb 0.04 -2.86 0.10 0.00 1.34 0.00 0.00 72.50 71.12 1i8j s THR 124 CO 0.06 0.29 1.82 0.77 -0.54 0.00 0.00 174.62 177.02 1i8j h SER 125 N 4.03 0.15 0.79 3.99 4.64 -1.25 -2.76 113.55 123.13 1i8j h SER 125 Ca -0.48 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1i8j h SER 125 Cb 1.17 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1i8j h SER 125 CO 0.58 0.45 -0.32 0.00 -0.87 0.00 0.00 176.83 176.67 1i8j n HIS 126 N -4.14 0.15 -1.00 4.77 -0.00 -1.26 -4.85 115.22 108.89 1i8j n HIS 126 Ca -0.01 0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 1i8j n HIS 126 Cb 0.38 -0.44 0.00 0.00 -0.00 0.00 0.00 29.99 29.92 1i8j n HIS 126 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1i8j n GLY 127 N 1.46 0.49 3.88 -1.39 0.00 -1.04 -3.94 105.19 104.65 1i8j n GLY 127 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.05 3.45 0.00 1.61 3.76 -1.26 -4.31 115.29 116.49 1i8j s HIS 128 Ca 0.00 0.89 0.00 0.00 -0.15 0.00 0.00 55.06 55.80 1i8j s HIS 128 Cb 0.00 -2.30 0.00 0.00 1.11 0.00 0.00 32.58 31.39 1i8j s HIS 128 CO 0.00 0.10 1.29 0.00 -0.85 0.00 0.00 174.74 175.28 1i8j n GLY 130 N 1.32 -0.51 3.65 0.00 0.00 -1.26 -4.49 105.19 103.90 1i8j n GLY 130 Ca 0.00 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.19 4.55 0.07 1.61 1.01 -1.26 -4.90 120.40 118.29 1i8j s VAL 131 Ca 0.00 1.84 -0.27 0.00 0.00 0.00 0.00 61.98 63.55 1i8j s VAL 131 Cb 0.00 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 1i8j s VAL 131 CO 0.00 -0.29 0.84 -0.22 0.00 0.00 0.00 175.10 175.42 1i8j s LEU 132 N 3.45 4.47 0.00 3.92 2.96 -1.26 0.90 118.68 133.12 1i8j s LEU 132 Ca 0.46 1.57 0.05 0.00 -0.22 0.00 0.00 54.13 56.00 1i8j s LEU 132 Cb -0.15 -3.36 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 1i8j s LEU 132 CO 0.11 -0.01 0.20 0.00 -1.32 0.00 0.00 176.35 175.32 1i8j h GLU 134 N 0.00 0.12 -0.56 0.00 3.07 -2.02 -2.74 114.58 112.45 1i8j h GLU 134 Ca -0.30 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.58 1i8j h GLU 134 Cb 1.26 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 29.10 1i8j h GLU 134 CO 0.47 0.08 0.33 1.12 -1.40 0.00 0.00 179.01 179.61 1i8j h HIS 135 N 0.12 0.61 0.00 4.33 -0.00 -1.99 -3.50 115.15 114.73 1i8j h HIS 135 Ca 0.45 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.84 1i8j h HIS 135 Cb 0.82 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.03 1i8j h HIS 135 CO -0.40 0.33 0.00 0.41 -0.00 0.00 0.00 177.93 178.28 1i8j n GLY 136 N -1.26 -0.00 3.67 6.13 0.00 -1.03 -5.04 105.19 107.66 1i8j n GLY 136 Ca 0.05 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 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 -4.00 4.39 -0.49 1.61 1.01 -1.26 -1.13 120.40 120.53 1i8j s VAL 137 Ca 0.00 1.69 -0.28 0.00 0.00 0.00 0.00 61.98 63.39 1i8j s VAL 137 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1i8j s VAL 137 CO 0.00 -0.08 1.54 -0.62 0.00 0.00 0.00 175.10 175.94 1i8j s ASP 138 N 1.58 6.01 0.12 3.32 2.15 0.26 -4.94 116.67 125.18 1i8j s ASP 138 Ca 0.53 0.59 -0.29 0.00 0.43 0.00 0.00 52.55 53.82 1i8j s ASP 138 Cb -0.21 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 39.80 1i8j s ASP 138 CO 0.16 -1.74 1.60 -1.13 -0.17 0.00 0.00 175.17 173.90 1i8j h ASN 139 N 11.84 -1.07 0.24 -0.34 -1.24 -1.92 -1.37 115.58 121.72 1i8j h ASN 139 Ca -0.28 0.13 -0.13 0.00 0.71 0.00 0.00 56.30 56.73 1i8j h ASN 139 Cb 1.12 0.42 -0.01 0.00 0.73 0.00 0.00 38.32 40.58 1i8j h ASN 139 CO 1.14 -0.42 -0.49 0.44 -1.29 0.00 0.00 177.43 176.81 1i8j h ASP 140 N -0.53 0.32 -0.52 1.15 3.32 -1.92 0.86 116.42 119.09 1i8j h ASP 140 Ca 0.05 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.83 1i8j h ASP 140 Cb 0.60 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1i8j h ASP 140 CO -0.27 0.76 -0.12 0.00 -1.72 0.00 0.00 179.24 177.90 1i8j h ALA 141 N 1.25 0.71 -0.43 3.45 0.00 -1.94 -2.44 119.26 119.87 1i8j h ALA 141 Ca 0.01 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1i8j h ALA 141 Cb 0.95 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1i8j h ALA 141 CO 0.08 0.63 -0.18 1.15 0.00 0.00 0.00 179.25 180.93 1i8j h THR 142 N 0.86 1.27 -0.51 0.00 2.02 -0.99 -2.83 112.91 112.73 1i8j h THR 142 Ca 0.13 -1.29 0.05 0.00 0.77 0.00 0.00 66.41 66.07 1i8j h THR 142 Cb 0.68 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 1i8j h THR 142 CO 0.05 0.44 0.25 -0.07 0.37 0.00 0.00 175.52 176.56 1i8j h LEU 143 N 0.73 0.35 -0.34 2.58 3.38 -0.57 0.26 115.31 121.70 1i8j h LEU 143 Ca 0.11 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.18 1i8j h LEU 143 Cb 0.70 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.33 1i8j h LEU 143 CO 0.05 0.24 -0.25 -0.08 0.09 0.00 0.00 178.44 178.50 1i8j h GLU 144 N 0.49 -0.20 -0.35 1.13 4.81 -1.22 -1.67 114.58 117.56 1i8j h GLU 144 Ca 0.23 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 1i8j h GLU 144 Cb 0.15 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1i8j h GLU 144 CO -0.17 -0.13 -0.18 -0.91 -0.73 0.00 0.00 179.01 176.89 1i8j h ASN 145 N -0.21 0.65 -0.66 1.04 2.35 -1.25 -2.77 115.58 114.73 1i8j h ASN 145 Ca 0.17 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1i8j h ASN 145 Cb 0.47 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1i8j h ASN 145 CO -0.46 0.83 0.27 -0.07 -1.65 0.00 0.00 177.43 176.36 1i8j h LEU 146 N 0.58 0.93 -0.36 1.61 3.38 -0.51 -1.47 115.31 119.47 1i8j h LEU 146 Ca 0.09 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1i8j h LEU 146 Cb 0.63 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1i8j h LEU 146 CO 0.04 0.83 0.05 1.23 0.09 0.00 0.00 178.44 180.69 1i8j h GLY 147 N 1.07 0.64 1.05 0.83 0.00 -1.09 -1.39 103.07 104.18 1i8j h GLY 147 Ca 0.23 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1i8j h GLY 147 CO -0.02 0.40 0.33 0.50 0.00 0.00 0.00 176.54 177.75 1i8j h LYS 148 N 0.43 1.21 -0.53 4.80 1.57 -1.32 -2.07 116.57 120.65 1i8j h LYS 148 Ca 0.11 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1i8j h LYS 148 Cb 0.36 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1i8j h LYS 148 CO 0.01 0.97 0.12 0.37 -0.57 0.00 0.00 179.45 180.35 1i8j h GLN 149 N 1.18 0.86 -0.14 3.15 4.15 -1.23 -2.81 115.11 120.27 1i8j h GLN 149 Ca 0.27 -0.21 0.05 0.00 0.77 0.00 0.00 58.65 59.52 1i8j h GLN 149 Cb 0.21 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.74 1i8j h GLN 149 CO -0.02 0.82 -0.19 0.00 -1.93 0.00 0.00 178.83 177.50 1i8j h ALA 150 N 1.00 -0.13 -0.78 3.38 0.00 -0.76 -0.49 119.26 121.48 1i8j h ALA 150 Ca 0.17 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1i8j h ALA 150 Cb 0.35 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1i8j h ALA 150 CO 0.00 -0.64 0.52 0.28 0.00 0.00 0.00 179.25 179.41 1i8j h VAL 151 N -0.24 1.20 0.00 0.00 2.07 -1.31 0.12 116.25 118.09 1i8j h VAL 151 Ca 0.10 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 1i8j h VAL 151 Cb 0.39 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1i8j h VAL 151 CO -0.28 0.19 -0.56 -0.37 0.02 0.00 0.00 177.57 176.57 1i8j h VAL 152 N 1.06 1.30 -0.16 2.57 -1.51 -1.22 0.43 116.25 118.72 1i8j h VAL 152 Ca 0.29 -1.98 -0.13 0.00 -1.23 0.00 0.00 66.70 63.64 1i8j h VAL 152 Cb -0.12 2.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 1i8j h VAL 152 CO -0.06 0.55 -0.42 0.00 -1.23 0.00 0.00 177.57 176.40 1i8j h ALA 153 N 1.44 0.26 -0.69 5.19 0.00 -0.73 0.93 119.26 125.66 1i8j h ALA 153 Ca -0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1i8j h ALA 153 Cb 1.06 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1i8j h ALA 153 CO 0.07 0.38 0.31 0.00 0.00 0.00 0.00 179.25 180.02 1i8j h ALA 154 N 0.55 0.90 -0.44 0.00 0.00 -0.58 -1.33 119.26 118.36 1i8j h ALA 154 Ca -0.01 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1i8j h ALA 154 Cb 1.03 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1i8j h ALA 154 CO 0.09 0.48 0.19 0.00 0.00 0.00 0.00 179.25 180.02 1i8j h ALA 155 N 1.15 0.54 0.00 0.00 0.00 0.06 -1.50 119.26 119.50 1i8j h ALA 155 Ca 0.24 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1i8j h ALA 155 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1i8j h ALA 155 CO -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.05 1i8j n ALA 156 N -2.33 1.40 0.00 0.00 0.00 0.30 -4.88 120.51 115.01 1i8j n ALA 156 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1i8j n ALA 156 Cb 0.13 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.57 0.94 3.73 0.00 0.00 -0.57 -2.93 105.19 105.79 1i8j n GLY 157 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.82 1.95 0.05 4.61 0.00 -0.56 -4.87 120.51 120.88 1i8j n ALA 158 Ca 0.00 0.37 -0.16 0.00 0.00 0.00 0.00 53.44 53.65 1i8j n ALA 158 Cb 0.00 -2.37 -0.14 0.00 0.00 0.00 0.00 19.45 16.94 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 3.60 0.35 -4.11 0.00 3.32 -0.08 -3.42 116.42 116.08 1i8j h ASP 159 Ca -0.47 -0.50 -0.45 0.00 0.02 0.00 0.00 57.03 55.62 1i8j h ASP 159 Cb 1.25 -0.11 -0.29 0.00 0.22 0.00 0.00 39.33 40.40 1i8j h ASP 159 CO 0.70 1.42 -0.80 -0.36 -1.72 0.00 0.00 179.24 178.48 1i8j s PHE 160 N -2.62 1.08 -0.32 4.55 0.40 -0.88 -2.34 117.98 117.85 1i8j s PHE 160 Ca -0.09 -0.21 -0.12 0.00 -0.60 0.00 0.00 56.93 55.91 1i8j s PHE 160 Cb 0.07 -0.70 -0.02 0.00 0.51 0.00 0.00 43.02 42.88 1i8j s PHE 160 CO 0.85 -0.03 0.21 0.42 0.70 0.00 0.00 175.22 177.37 1i8j s ILE 161 N -0.24 5.08 -0.89 0.64 -1.09 0.82 -1.73 121.20 123.78 1i8j s ILE 161 Ca 0.04 -0.23 -0.08 0.00 -2.23 0.00 0.00 60.65 58.15 1i8j s ILE 161 Cb -0.05 -3.58 0.23 0.00 -1.58 0.00 0.00 42.46 37.48 1i8j s ILE 161 CO -0.00 0.04 0.82 0.00 -1.23 0.00 0.00 174.94 174.57 1i8j s ALA 162 N 1.69 4.24 0.01 9.38 0.00 -0.89 -2.08 121.76 134.11 1i8j s ALA 162 Ca 0.06 -3.59 -0.30 0.00 0.00 0.00 0.00 51.96 48.13 1i8j s ALA 162 Cb -0.17 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 1i8j s ALA 162 CO 0.09 -2.20 1.70 -1.25 0.00 0.00 0.00 175.76 174.10 1i8j s PRO 163 N -0.64 4.18 -0.13 0.00 0.04 -1.25 -1.08 135.00 136.12 1i8j s PRO 163 Ca 0.24 2.31 0.17 0.00 0.04 0.00 0.00 61.00 63.76 1i8j s PRO 163 Cb -0.11 -3.84 0.33 0.00 0.04 0.00 0.00 34.50 30.91 1i8j s PRO 163 CO -0.08 -0.81 1.20 -1.13 0.04 0.00 0.00 177.00 176.22 1i8j n SER 164 N 6.52 2.68 0.01 6.66 3.41 -0.96 -1.96 113.62 129.98 1i8j n SER 164 Ca 0.17 -2.99 0.14 0.00 -0.26 0.00 0.00 58.87 55.92 1i8j n SER 164 Cb 0.42 -0.43 0.60 0.00 -0.26 0.00 0.00 64.21 64.54 1i8j n SER 164 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i8j n ALA 165 N -1.15 2.32 -3.85 7.33 0.00 -1.25 -4.94 120.51 118.97 1i8j n ALA 165 Ca 0.16 -0.09 -0.27 0.00 0.00 0.00 0.00 53.44 53.23 1i8j n ALA 165 Cb 0.67 -1.47 0.03 0.00 0.00 0.00 0.00 19.45 18.68 1i8j n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i8j n ALA 166 N -1.52 -1.51 -2.79 0.00 0.00 -1.26 -4.84 120.51 108.57 1i8j n ALA 166 Ca 0.07 0.08 -0.36 0.00 0.00 0.00 0.00 53.44 53.24 1i8j n ALA 166 Cb 0.35 -3.70 -0.08 0.00 0.00 0.00 0.00 19.45 16.01 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 -6.43 3.83 0.40 0.00 -1.94 -1.26 -4.48 119.30 109.42 1i8j s MET 167 Ca 0.46 -0.22 -0.27 0.00 -1.71 0.00 0.00 55.69 53.94 1i8j s MET 167 Cb -0.23 -3.27 -0.10 0.00 2.01 0.00 0.00 34.83 33.25 1i8j s MET 167 CO 0.82 0.48 1.44 -0.51 -0.01 0.00 0.00 175.02 177.24 1i8j s ASP 168 N -0.18 6.20 0.00 3.03 1.01 -1.26 -2.04 116.67 123.43 1i8j s ASP 168 Ca 0.10 2.94 0.00 0.00 0.71 0.00 0.00 52.55 56.30 1i8j s ASP 168 Cb -0.12 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.16 1i8j s ASP 168 CO 0.01 -0.96 0.00 0.61 0.21 0.00 0.00 175.17 175.04 1i8j n GLY 169 N 0.55 0.37 0.31 0.21 0.00 -1.26 -4.89 105.19 100.47 1i8j n GLY 169 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 0.93 0.93 -0.13 1.61 3.07 -1.83 -0.72 115.11 118.96 1i8j h GLN 170 Ca 0.00 -0.06 -0.00 0.00 0.09 0.00 0.00 58.65 58.68 1i8j h GLN 170 Cb 0.30 -0.21 -0.01 0.00 0.08 0.00 0.00 27.48 27.64 1i8j h GLN 170 CO 0.00 0.62 0.08 0.28 0.09 0.00 0.00 178.83 179.90 1i8j h VAL 171 N 0.96 1.07 -0.42 1.86 2.07 -1.90 -0.42 116.25 119.47 1i8j h VAL 171 Ca 0.33 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.72 1i8j h VAL 171 Cb 0.06 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 1i8j h VAL 171 CO -0.13 0.06 0.15 -0.61 0.02 0.00 0.00 177.57 177.06 1i8j h GLN 172 N 0.14 0.30 -0.12 1.57 4.15 -1.62 0.13 115.11 119.67 1i8j h GLN 172 Ca 0.05 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.47 1i8j h GLN 172 Cb 0.04 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1i8j h GLN 172 CO -0.01 0.20 -0.01 0.00 -1.93 0.00 0.00 178.83 177.08 1i8j h ALA 173 N 1.27 0.09 -0.43 3.38 0.00 -0.94 -1.53 119.26 121.10 1i8j h ALA 173 Ca 0.20 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1i8j h ALA 173 Cb 0.18 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1i8j h ALA 173 CO -0.20 -0.47 -0.10 0.82 0.00 0.00 0.00 179.25 179.31 1i8j h ILE 174 N 0.03 1.25 -0.48 0.00 2.04 -0.84 -2.29 117.51 117.22 1i8j h ILE 174 Ca 0.05 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 1i8j h ILE 174 Cb 0.07 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1i8j h ILE 174 CO -0.10 0.39 0.12 -0.09 0.00 0.00 0.00 178.15 178.47 1i8j h ARG 175 N 0.70 0.76 -0.28 2.37 9.65 -0.41 -0.98 114.38 126.19 1i8j h ARG 175 Ca 0.12 -0.18 -0.05 0.00 -1.10 0.00 0.00 59.98 58.77 1i8j h ARG 175 Cb 0.57 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 1i8j h ARG 175 CO 0.04 0.74 -0.02 1.96 2.80 0.00 0.00 179.97 185.49 1i8j h GLN 176 N 0.64 0.50 -0.00 0.20 4.20 -1.24 -1.41 115.11 117.99 1i8j h GLN 176 Ca 0.15 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1i8j h GLN 176 Cb 0.32 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1i8j h GLN 176 CO 0.00 0.67 -0.05 0.00 -0.67 0.00 0.00 178.83 178.78 1i8j h ALA 177 N 0.81 -0.05 -0.31 3.87 0.00 -1.39 0.06 119.26 122.26 1i8j h ALA 177 Ca 0.08 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1i8j h ALA 177 Cb 0.46 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1i8j h ALA 177 CO 0.02 -0.55 0.17 -0.07 0.00 0.00 0.00 179.25 178.82 1i8j h LEU 178 N -0.09 0.26 0.13 0.00 3.38 -1.14 -2.34 115.31 115.51 1i8j h LEU 178 Ca 0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1i8j h LEU 178 Cb 0.12 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1i8j h LEU 178 CO -0.06 0.19 -0.07 0.44 0.09 0.00 0.00 178.44 179.03 1i8j h ASP 179 N 0.35 -0.18 -0.70 -0.43 3.32 -1.09 0.30 116.42 117.98 1i8j h ASP 179 Ca 0.12 0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.31 1i8j h ASP 179 Cb 0.02 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1i8j h ASP 179 CO -0.07 -0.12 0.47 0.00 -1.72 0.00 0.00 179.24 177.80 1i8j h ALA 180 N 0.68 2.08 -0.25 3.45 0.00 -0.84 -0.31 119.26 124.08 1i8j h ALA 180 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1i8j h ALA 180 Cb 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1i8j h ALA 180 CO 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.01 1i8j n ALA 181 N -2.52 2.48 -1.20 0.00 0.00 -0.89 -4.91 120.51 113.47 1i8j n ALA 181 Ca 0.13 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1i8j n ALA 181 Cb 0.47 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 1.07 0.48 2.18 0.00 0.00 -0.12 -4.95 105.19 103.84 1i8j n GLY 182 Ca 0.13 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.16 2.95 0.24 1.61 3.72 0.10 -4.77 117.46 118.15 1i8j n PHE 183 Ca 0.00 -2.51 0.07 0.00 -0.05 0.00 0.00 57.45 54.96 1i8j n PHE 183 Cb 0.15 -0.60 0.33 0.00 -0.94 0.00 0.00 39.48 38.43 1i8j n PHE 183 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1i8j n LYS 184 N -0.72 0.08 0.00 -1.08 2.85 -1.25 -1.45 118.16 116.58 1i8j n LYS 184 Ca 0.48 0.46 0.11 0.00 -1.05 0.00 0.00 58.31 58.32 1i8j n LYS 184 Cb 0.83 -1.70 0.09 0.00 -0.65 0.00 0.00 35.03 33.61 1i8j n LYS 184 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1i8j n ASP 185 N -1.85 1.50 -4.72 -5.58 8.00 -1.26 -4.90 116.55 107.73 1i8j n ASP 185 Ca 0.01 -1.18 -0.42 0.00 0.71 0.00 0.00 54.79 53.91 1i8j n ASP 185 Cb 0.10 0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 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 -2.61 4.15 0.48 -3.53 2.01 -0.53 -5.02 115.64 110.60 1i8j s THR 186 Ca 0.18 1.65 -0.08 0.00 0.31 0.00 0.00 61.69 63.74 1i8j s THR 186 Cb 0.18 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 1i8j s THR 186 CO 0.62 0.19 0.83 0.00 -0.69 0.00 0.00 174.62 175.57 1i8j s ALA 187 N 0.57 3.31 -0.18 7.40 0.00 -0.99 -4.94 121.76 126.93 1i8j s ALA 187 Ca 0.54 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.19 1i8j s ALA 187 Cb -0.28 -2.74 0.01 0.00 0.00 0.00 0.00 23.12 20.11 1i8j s ALA 187 CO 0.31 -0.30 -0.14 0.42 0.00 0.00 0.00 175.76 176.05 1i8j s ILE 188 N -2.70 2.61 -0.87 0.00 1.01 -1.26 -0.13 121.20 119.86 1i8j s ILE 188 Ca 0.50 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 60.31 1i8j s ILE 188 Cb -0.10 -2.13 0.22 0.00 0.01 0.00 0.00 42.46 40.46 1i8j s ILE 188 CO 0.42 0.50 0.78 -0.32 0.00 0.00 0.00 174.94 176.32 1i8j s MET 189 N 1.20 3.46 0.19 2.79 -2.45 -0.88 -1.83 119.30 121.78 1i8j s MET 189 Ca 0.02 -2.84 -0.30 0.00 -1.25 0.00 0.00 55.69 51.32 1i8j s MET 189 Cb -0.14 -4.21 -0.08 0.00 1.25 0.00 0.00 34.83 31.65 1i8j s MET 189 CO -0.06 -1.25 1.20 0.45 1.05 0.00 0.00 175.02 176.41 1i8j s SER 190 N 1.14 7.08 -1.34 1.11 0.15 -0.80 -3.93 113.70 117.11 1i8j s SER 190 Ca 0.23 2.25 -0.11 0.00 0.70 0.00 0.00 55.95 59.02 1i8j s SER 190 Cb -0.12 -2.61 0.13 0.00 -1.71 0.00 0.00 66.02 61.71 1i8j s SER 190 CO -0.08 -0.38 2.00 -1.22 1.20 0.00 0.00 173.24 174.76 1i8j n TYR 191 N 2.45 3.08 -0.06 3.44 4.02 -0.83 -3.23 117.16 126.03 1i8j n TYR 191 Ca 0.04 -2.84 -0.07 0.00 -0.01 0.00 0.00 57.90 55.02 1i8j n TYR 191 Cb 0.44 -2.12 -0.01 0.00 -0.02 0.00 0.00 39.34 37.63 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 5.78 -0.08 -3.59 7.72 4.64 -1.85 -3.35 113.55 122.82 1i8j h SER 192 Ca 0.46 0.05 -0.69 0.00 -0.47 0.00 0.00 61.79 61.14 1i8j h SER 192 Cb 0.62 0.09 -0.35 0.00 -0.31 0.00 0.00 62.40 62.45 1i8j h SER 192 CO 1.70 -0.01 -0.62 -0.89 -0.87 0.00 0.00 176.83 176.15 1i8j s THR 193 N -6.19 3.04 -0.20 2.95 2.01 -0.41 -4.18 115.64 112.66 1i8j s THR 193 Ca -0.13 -1.94 -0.00 0.00 0.31 0.00 0.00 61.69 59.92 1i8j s THR 193 Cb 0.11 -3.03 0.05 0.00 0.01 0.00 0.00 72.50 69.65 1i8j s THR 193 CO 0.69 -0.53 -0.03 -0.75 -0.69 0.00 0.00 174.62 173.31 1i8j s LYS 194 N 1.13 1.36 0.42 4.92 2.20 -1.26 -1.52 119.74 126.99 1i8j s LYS 194 Ca 0.05 -0.71 -0.21 0.00 -0.36 0.00 0.00 55.97 54.74 1i8j s LYS 194 Cb -0.21 -2.30 -0.11 0.00 -1.51 0.00 0.00 37.83 33.70 1i8j s LYS 194 CO -0.04 -0.55 0.94 -0.06 -0.36 0.00 0.00 175.35 175.28 1i8j s PHE 195 N 1.57 3.34 -1.31 4.03 0.08 -0.07 -1.62 117.98 124.01 1i8j s PHE 195 Ca -0.03 1.60 -0.15 0.00 0.12 0.00 0.00 56.93 58.47 1i8j s PHE 195 Cb -0.17 -2.84 0.10 0.00 -0.57 0.00 0.00 43.02 39.54 1i8j s PHE 195 CO -0.07 -0.07 1.79 0.00 -0.10 0.00 0.00 175.22 176.77 1i8j n ALA 196 N -0.54 4.30 -2.27 5.36 0.00 0.95 -4.67 120.51 123.65 1i8j n ALA 196 Ca 0.06 -4.01 -0.27 0.00 0.00 0.00 0.00 53.44 49.22 1i8j n ALA 196 Cb 0.54 -3.38 0.01 0.00 0.00 0.00 0.00 19.45 16.62 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 3.22 6.11 -0.06 0.00 0.15 -1.26 -4.64 113.70 117.21 1i8j s SER 197 Ca 0.48 0.80 0.18 0.00 0.70 0.00 0.00 55.95 58.11 1i8j s SER 197 Cb 0.05 -2.07 0.59 0.00 -1.71 0.00 0.00 66.02 62.88 1i8j s SER 197 CO 0.01 -0.66 1.51 -1.54 1.20 0.00 0.00 173.24 173.76 1i8j n SER 198 N -2.27 4.07 -1.25 5.45 3.41 -1.26 -4.42 113.62 117.35 1i8j n SER 198 Ca 0.01 -2.28 0.12 0.00 -0.26 0.00 0.00 58.87 56.45 1i8j n SER 198 Cb 0.56 -0.48 0.28 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.98 0.77 0.73 7.33 3.72 -1.26 -4.38 117.46 125.35 1i8j n PHE 199 Ca 0.22 -0.39 0.12 0.00 -0.05 0.00 0.00 57.45 57.35 1i8j n PHE 199 Cb 0.72 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.46 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 1.55 0.25 -0.10 1.38 4.01 -1.26 0.06 117.16 123.05 1i8j n TYR 200 Ca 0.22 -0.13 -0.08 0.00 -0.16 0.00 0.00 57.90 57.75 1i8j n TYR 200 Cb 0.60 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.61 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 4.67 -0.31 0.47 2.72 0.00 -1.92 -1.08 103.07 107.62 1i8j h GLY 201 Ca 0.00 0.42 0.09 0.00 0.00 0.00 0.00 47.33 47.84 1i8j h GLY 201 CO 0.00 -0.21 0.33 -2.55 0.00 0.00 0.00 176.54 174.12 1i8j h PRO 202 N -0.28 0.56 -0.26 4.80 0.11 -1.88 -2.04 132.00 133.00 1i8j h PRO 202 Ca 0.16 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.26 1i8j h PRO 202 Cb 0.54 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 1i8j h PRO 202 CO -0.51 0.37 0.11 0.35 -0.21 0.00 0.00 178.00 178.11 1i8j h PHE 203 N 0.57 0.21 -0.88 0.65 3.57 -1.67 0.42 116.94 119.82 1i8j h PHE 203 Ca 0.34 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.88 1i8j h PHE 203 Cb 0.36 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 1i8j h PHE 203 CO -0.11 0.11 0.58 0.00 -2.23 0.00 0.00 178.31 176.66 1i8j h ARG 204 N 0.25 1.10 0.15 1.11 3.08 -0.73 0.44 114.38 119.78 1i8j h ARG 204 Ca 0.11 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1i8j h ARG 204 Cb 0.05 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.86 1i8j h ARG 204 CO -0.09 0.73 -0.07 1.49 -1.07 0.00 0.00 179.97 180.95 1i8j h GLU 205 N 1.13 -0.20 -0.37 0.04 4.81 -0.88 -0.07 114.58 119.05 1i8j h GLU 205 Ca 0.34 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1i8j h GLU 205 Cb -0.03 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1i8j h GLU 205 CO -0.09 -0.06 0.20 0.00 -0.73 0.00 0.00 179.01 178.33 1i8j h ALA 206 N 0.54 1.67 -0.02 2.92 0.00 0.00 -3.14 119.26 121.22 1i8j h ALA 206 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1i8j h ALA 206 Cb 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1i8j h ALA 206 CO 0.03 0.28 -0.10 0.00 0.00 0.00 0.00 179.25 179.47 1i8j n ALA 207 N -2.48 2.69 -2.46 0.00 0.00 0.14 -4.92 120.51 113.48 1i8j n ALA 207 Ca 0.02 -0.66 -0.15 0.00 0.00 0.00 0.00 53.44 52.66 1i8j n ALA 207 Cb 0.09 -0.73 0.01 0.00 0.00 0.00 0.00 19.45 18.82 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 1.24 -0.19 3.59 0.00 0.00 -0.08 -4.57 105.19 105.20 1i8j n GLY 208 Ca 0.12 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.53 6.08 0.00 1.61 0.15 -0.95 -4.89 113.70 113.18 1i8j s SER 209 Ca 0.08 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.60 1i8j s SER 209 Cb -0.03 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1i8j s SER 209 CO 0.10 -1.63 1.25 0.00 1.20 0.00 0.00 173.24 174.15 1i8j n ALA 210 N 9.69 3.05 -2.71 5.45 0.00 -1.26 -4.90 120.51 129.83 1i8j n ALA 210 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.26 1i8j n ALA 210 Cb 0.48 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.54 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 4.30 -0.15 0.00 2.96 -1.25 -3.59 118.68 120.94 1i8j s LEU 211 Ca 0.00 0.58 0.15 0.00 -0.22 0.00 0.00 54.13 54.63 1i8j s LEU 211 Cb 0.00 -2.37 -0.20 0.00 0.50 0.00 0.00 46.19 44.11 1i8j s LEU 211 CO 0.00 0.17 0.07 2.29 -1.32 0.00 0.00 176.35 177.57 1i8j n LYS 212 N 3.10 1.32 0.00 1.98 2.85 -1.26 -4.99 118.16 121.16 1i8j n LYS 212 Ca -0.13 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.11 1i8j n LYS 212 Cb 0.52 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.49 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 1.13 2.98 2.58 0.00 -1.26 -5.15 105.19 107.44 1i8j n GLY 213 Ca -0.25 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 1i8j n GLY 213 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i8j n ASP 214 N 0.00 0.60 -0.44 1.61 5.68 -1.26 -5.07 116.55 117.68 1i8j n ASP 214 Ca 0.00 -2.96 0.08 0.00 -0.50 0.00 0.00 54.79 51.41 1i8j n ASP 214 Cb 0.00 1.12 0.19 0.00 -1.14 0.00 0.00 41.12 41.28 1i8j n ASP 214 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1i8j n ARG 215 N -0.74 1.87 0.25 0.11 1.74 -1.26 -4.74 116.66 113.89 1i8j n ARG 215 Ca -0.01 -2.75 0.15 0.00 -0.77 0.00 0.00 57.85 54.47 1i8j n ARG 215 Cb 0.55 -1.64 0.82 0.00 -1.02 0.00 0.00 32.46 31.17 1i8j n ARG 215 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1i8j h LYS 216 N 0.71 0.00 -0.03 5.56 1.57 -1.95 -0.74 116.57 121.69 1i8j h LYS 216 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1i8j h LYS 216 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1i8j h LYS 216 CO 0.10 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.85 1i8j n SER 217 N -2.62 1.28 0.02 0.86 3.41 -1.26 -4.57 113.62 110.74 1i8j n SER 217 Ca -0.02 -1.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 1i8j n SER 217 Cb 0.15 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.01 -0.38 -1.98 7.33 4.11 -0.53 -5.03 117.16 120.68 1i8j n TYR 218 Ca 0.19 0.07 -0.40 0.00 -0.00 0.00 0.00 57.90 57.76 1i8j n TYR 218 Cb 0.31 0.41 -0.00 0.00 -0.00 0.00 0.00 39.34 40.06 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 -2.00 3.99 0.58 -3.48 -0.21 -0.40 -4.86 119.66 113.28 1i8j s GLN 219 Ca 0.00 2.27 -0.07 0.00 0.02 0.00 0.00 55.36 57.58 1i8j s GLN 219 Cb 0.00 -2.81 -0.01 0.00 1.00 0.00 0.00 33.01 31.19 1i8j s GLN 219 CO 0.00 -0.52 0.91 0.00 -2.12 0.00 0.00 175.29 173.57 1i8j s MET 220 N -2.20 3.19 0.05 2.91 0.23 -0.64 -4.33 119.30 118.52 1i8j s MET 220 Ca 0.56 0.22 -0.30 0.00 -1.03 0.00 0.00 55.69 55.14 1i8j s MET 220 Cb -0.40 -2.24 -0.09 0.00 -1.53 0.00 0.00 34.83 30.57 1i8j s MET 220 CO 0.53 -0.58 1.84 1.21 -2.03 0.00 0.00 175.02 175.99 1i8j s ASN 221 N -4.24 6.50 0.52 -1.18 3.84 -1.26 -0.03 114.94 119.08 1i8j s ASN 221 Ca 0.53 2.61 0.32 0.00 0.21 0.00 0.00 52.86 56.52 1i8j s ASN 221 Cb -0.11 -2.55 1.46 0.00 -0.55 0.00 0.00 41.25 39.51 1i8j s ASN 221 CO 0.47 -1.00 1.83 -0.65 -2.79 0.00 0.00 177.10 174.96 1i8j h PRO 222 N 9.58 0.06 -0.00 0.43 0.11 -1.95 -2.27 132.00 137.97 1i8j h PRO 222 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1i8j h PRO 222 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1i8j h PRO 222 CO 0.94 0.04 -0.08 -1.33 -0.21 0.00 0.00 178.00 177.37 1i8j n MET 223 N -4.28 0.12 -3.19 1.05 2.81 -1.26 -4.74 117.12 107.63 1i8j n MET 223 Ca 0.23 -0.02 -0.45 0.00 -1.81 0.00 0.00 57.70 55.65 1i8j n MET 223 Cb 1.10 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 32.10 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 -2.89 7.01 0.22 7.83 0.01 -0.85 -4.89 114.94 121.37 1i8j s ASN 224 Ca 0.17 -2.98 -0.06 0.00 -0.71 0.00 0.00 52.86 49.28 1i8j s ASN 224 Cb 0.19 -2.28 0.20 0.00 0.41 0.00 0.00 41.25 39.77 1i8j s ASN 224 CO 0.54 -0.59 1.77 0.08 -1.51 0.00 0.00 177.10 177.39 1i8j h ARG 225 N 7.42 1.10 -0.07 -0.60 0.11 -1.87 -1.05 114.38 119.42 1i8j h ARG 225 Ca 0.19 -0.23 -0.00 0.00 0.10 0.00 0.00 59.98 60.04 1i8j h ARG 225 Cb 0.94 -0.16 -0.00 0.00 1.11 0.00 0.00 29.97 31.86 1i8j h ARG 225 CO 1.01 0.93 0.02 0.00 0.10 0.00 0.00 179.97 182.03 1i8j h ARG 226 N 1.06 0.10 -0.78 0.08 3.08 -2.00 -2.71 114.38 113.21 1i8j h ARG 226 Ca 0.23 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1i8j h ARG 226 Cb 0.29 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1i8j h ARG 226 CO -0.01 0.26 0.44 1.49 -1.07 0.00 0.00 179.97 181.08 1i8j h GLU 227 N -0.08 1.07 -0.58 0.04 4.81 -1.95 -2.05 114.58 115.83 1i8j h GLU 227 Ca 0.02 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1i8j h GLU 227 Cb 0.20 -0.22 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 1i8j h GLU 227 CO -0.00 0.78 0.26 0.00 -0.73 0.00 0.00 179.01 179.32 1i8j h ALA 228 N 1.40 0.76 -0.21 2.92 0.00 -0.96 0.24 119.26 123.39 1i8j h ALA 228 Ca 0.28 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1i8j h ALA 228 Cb 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1i8j h ALA 228 CO -0.05 -0.12 0.05 0.82 0.00 0.00 0.00 179.25 179.96 1i8j h ILE 229 N 0.48 1.21 -0.66 0.00 1.08 -1.15 -2.76 117.51 115.71 1i8j h ILE 229 Ca 0.28 -0.67 0.02 0.00 -0.39 0.00 0.00 64.86 64.10 1i8j h ILE 229 Cb 0.27 1.24 -0.04 0.00 -3.07 0.00 0.00 36.82 35.22 1i8j h ILE 229 CO -0.23 0.21 0.44 -0.09 -0.69 0.00 0.00 178.15 177.78 1i8j h ARG 230 N 0.17 0.81 -0.53 2.37 2.43 -0.96 -0.38 114.38 118.28 1i8j h ARG 230 Ca 0.07 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1i8j h ARG 230 Cb 0.27 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1i8j h ARG 230 CO 0.00 0.53 0.32 0.93 -1.51 0.00 0.00 179.97 180.24 1i8j h GLU 231 N 0.83 0.71 -0.15 0.20 4.39 -0.78 -0.91 114.58 118.87 1i8j h GLU 231 Ca 0.25 -0.06 -0.19 0.00 0.34 0.00 0.00 59.36 59.70 1i8j h GLU 231 Cb -0.00 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1i8j h GLU 231 CO -0.06 0.52 -0.69 0.77 -1.16 0.00 0.00 179.01 178.38 1i8j h SER 232 N 0.71 0.74 0.26 1.42 0.02 -1.14 -3.11 113.55 112.45 1i8j h SER 232 Ca 0.19 -0.46 -0.12 0.00 -0.84 0.00 0.00 61.79 60.56 1i8j h SER 232 Cb -0.02 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1i8j h SER 232 CO -0.04 1.22 -0.47 -0.07 -1.14 0.00 0.00 176.83 176.33 1i8j h LEU 233 N 0.45 0.27 -0.85 5.07 3.38 -0.92 -1.69 115.31 121.01 1i8j h LEU 233 Ca -0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1i8j h LEU 233 Cb 1.28 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1i8j h LEU 233 CO 0.13 0.70 0.52 -0.07 0.09 0.00 0.00 178.44 179.82 1i8j h LEU 234 N 0.20 1.02 -0.77 1.67 3.38 -1.20 -1.29 115.31 118.32 1i8j h LEU 234 Ca 0.01 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1i8j h LEU 234 Cb 0.91 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1i8j h LEU 234 CO 0.07 0.78 -0.42 0.44 0.09 0.00 0.00 178.44 179.40 1i8j h ASP 235 N 1.17 0.45 -0.42 -0.43 5.19 -1.39 -1.18 116.42 119.80 1i8j h ASP 235 Ca 0.31 -0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 1i8j h ASP 235 Cb -0.06 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.31 1i8j h ASP 235 CO -0.06 0.82 0.18 -0.08 -3.12 0.00 0.00 179.24 176.98 1i8j h GLU 236 N 0.35 0.63 -0.01 3.56 4.81 -1.09 -1.71 114.58 121.11 1i8j h GLU 236 Ca 0.03 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1i8j h GLU 236 Cb 0.89 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1i8j h GLU 236 CO 0.07 0.57 -0.15 0.00 -0.73 0.00 0.00 179.01 178.78 1i8j h ALA 237 N 1.02 1.74 -0.32 2.92 0.00 -0.55 -1.90 119.26 122.18 1i8j h ALA 237 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i8j h ALA 237 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1i8j h ALA 237 CO -0.01 0.20 0.00 1.04 0.00 0.00 0.00 179.25 180.47 1i8j n GLN 238 N -4.36 1.76 -0.17 0.00 6.02 -0.51 -4.94 117.38 115.18 1i8j n GLN 238 Ca -0.02 -1.18 0.00 0.00 -0.01 0.00 0.00 57.00 55.79 1i8j n GLN 238 Cb 0.22 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.21 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 1.03 0.91 3.75 1.08 0.00 -0.71 -4.17 105.19 107.08 1i8j n GLY 239 Ca 0.11 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1i8j n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i8j s ALA 240 N -2.00 2.82 -0.07 4.61 0.00 -0.68 -4.87 121.76 121.57 1i8j s ALA 240 Ca 0.00 1.23 0.14 0.00 0.00 0.00 0.00 51.96 53.33 1i8j s ALA 240 Cb 0.00 -3.52 -0.18 0.00 0.00 0.00 0.00 23.12 19.41 1i8j s ALA 240 CO 0.00 -1.22 0.77 -0.44 0.00 0.00 0.00 175.76 174.87 1i8j h ASP 241 N 1.52 0.00 -4.15 0.00 3.32 -1.71 -3.46 116.42 111.94 1i8j h ASP 241 Ca -0.51 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.38 1i8j h ASP 241 Cb 1.29 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.60 1i8j h ASP 241 CO 0.58 0.82 -0.49 0.00 -1.72 0.00 0.00 179.24 178.43 1i8j s LEU 243 N -0.33 3.04 -0.15 0.00 1.43 -0.76 -1.91 118.68 119.99 1i8j s LEU 243 Ca -0.04 -0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 51.83 1i8j s LEU 243 Cb -0.03 -1.60 0.09 0.00 0.03 0.00 0.00 46.19 44.67 1i8j s LEU 243 CO 0.01 -1.13 0.79 -0.32 0.23 0.00 0.00 176.35 175.92 1i8j s MET 244 N -4.44 0.85 -0.18 1.70 1.75 -1.20 0.33 119.30 118.12 1i8j s MET 244 Ca 0.50 0.46 -0.02 0.00 -1.25 0.00 0.00 55.69 55.38 1i8j s MET 244 Cb -0.04 0.41 -0.01 0.00 2.84 0.00 0.00 34.83 38.03 1i8j s MET 244 CO 0.31 -0.22 -0.10 0.08 -0.65 0.00 0.00 175.02 174.44 1i8j s VAL 245 N -0.63 3.06 -0.06 10.11 1.01 -0.25 -1.29 120.40 132.35 1i8j s VAL 245 Ca -0.05 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 1i8j s VAL 245 Cb -0.02 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 34.06 1i8j s VAL 245 CO 0.04 0.48 0.10 -0.75 0.00 0.00 0.00 175.10 174.98 1i8j s LYS 246 N 0.96 -0.03 1.05 2.72 2.20 -0.57 -1.83 119.74 124.25 1i8j s LYS 246 Ca -0.01 0.43 -0.14 0.00 -0.36 0.00 0.00 55.97 55.88 1i8j s LYS 246 Cb -0.15 -0.39 0.21 0.00 -1.51 0.00 0.00 37.83 36.00 1i8j s LYS 246 CO -0.01 -0.30 1.11 -2.14 -0.36 0.00 0.00 175.35 173.65 1i8j s PRO 247 N 2.10 0.01 -0.22 4.03 0.02 -1.26 -0.89 135.00 138.78 1i8j s PRO 247 Ca 0.03 0.27 -0.13 0.00 0.02 0.00 0.00 61.00 61.19 1i8j s PRO 247 Cb -0.12 -1.71 -0.09 0.00 0.02 0.00 0.00 34.50 32.60 1i8j s PRO 247 CO -0.04 -2.96 -0.31 0.00 -0.33 0.00 0.00 177.00 173.36 1i8j n ALA 248 N -4.29 1.40 -0.28 -1.55 0.00 -0.08 -4.47 120.51 111.24 1i8j n ALA 248 Ca 0.08 -0.91 -0.01 0.00 0.00 0.00 0.00 53.44 52.59 1i8j n ALA 248 Cb 0.58 0.17 0.05 0.00 0.00 0.00 0.00 19.45 20.25 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 -0.86 0.18 -3.63 0.00 0.00 -1.95 -1.51 103.07 95.30 1i8j h GLY 249 Ca -0.50 0.40 -0.10 0.00 0.00 0.00 0.00 47.33 47.13 1i8j h GLY 249 CO -0.31 -0.24 0.12 0.00 0.00 0.00 0.00 176.54 176.11 1i8j n ALA 250 N -3.31 4.21 -2.32 3.60 0.00 -1.26 -4.40 120.51 117.03 1i8j n ALA 250 Ca 0.08 -2.11 -0.01 0.00 0.00 0.00 0.00 53.44 51.40 1i8j n ALA 250 Cb 0.39 -1.18 0.07 0.00 0.00 0.00 0.00 19.45 18.73 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 0.29 0.81 0.72 0.00 4.01 -0.57 -4.87 117.16 117.55 1i8j n TYR 251 Ca 0.34 -1.45 0.12 0.00 -0.16 0.00 0.00 57.90 56.75 1i8j n TYR 251 Cb 1.29 -0.22 0.48 0.00 -0.31 0.00 0.00 39.34 40.58 1i8j n TYR 251 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1i8j n LEU 252 N -0.35 0.25 0.01 7.72 4.77 -1.20 -1.83 117.00 126.37 1i8j n LEU 252 Ca 0.15 0.54 -0.15 0.00 -0.03 0.00 0.00 56.01 56.52 1i8j n LEU 252 Cb 0.93 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1i8j n LEU 252 CO 0.06 -0.17 0.28 -2.24 -1.33 0.00 0.00 177.39 173.99 1i8j h ASP 253 N 0.00 0.75 -0.47 -1.43 2.03 -1.92 -1.93 116.42 113.46 1i8j h ASP 253 Ca 0.00 -0.51 -0.13 0.00 -0.73 0.00 0.00 57.03 55.66 1i8j h ASP 253 Cb 0.47 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.73 1i8j h ASP 253 CO 0.00 1.29 -0.23 0.40 -1.03 0.00 0.00 179.24 179.67 1i8j h ILE 254 N 0.42 1.27 -0.16 4.15 1.08 -1.75 -0.28 117.51 122.24 1i8j h ILE 254 Ca -0.05 -1.39 -0.01 0.00 -0.39 0.00 0.00 64.86 63.02 1i8j h ILE 254 Cb 1.41 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 36.31 1i8j h ILE 254 CO 0.15 0.48 0.07 0.58 -0.69 0.00 0.00 178.15 178.75 1i8j h VAL 255 N 0.83 1.13 -0.42 1.67 2.07 -1.34 -0.88 116.25 119.32 1i8j h VAL 255 Ca 0.10 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1i8j h VAL 255 Cb 0.81 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1i8j h VAL 255 CO 0.07 0.13 0.17 -0.09 0.02 0.00 0.00 177.57 177.86 1i8j h ARG 256 N 0.13 0.62 -0.53 1.57 9.65 -1.09 0.95 114.38 125.68 1i8j h ARG 256 Ca 0.05 -0.11 -0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1i8j h ARG 256 Cb 0.13 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.59 1i8j h ARG 256 CO -0.01 0.58 0.31 0.93 2.80 0.00 0.00 179.97 184.59 1i8j h GLU 257 N 0.53 0.72 -0.49 0.20 5.08 -0.94 -2.66 114.58 117.03 1i8j h GLU 257 Ca 0.14 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1i8j h GLU 257 Cb 0.19 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1i8j h GLU 257 CO -0.01 0.53 0.16 1.25 -1.00 0.00 0.00 179.01 179.94 1i8j h LEU 258 N 0.71 0.71 -0.89 1.33 5.85 -0.95 -2.83 115.31 119.25 1i8j h LEU 258 Ca 0.19 -0.20 0.21 0.00 0.84 0.00 0.00 57.88 58.92 1i8j h LEU 258 Cb -0.00 -0.19 -0.12 0.00 0.37 0.00 0.00 40.66 40.72 1i8j h LEU 258 CO -0.03 0.73 0.38 -0.09 -0.34 0.00 0.00 178.44 179.08 1i8j h ARG 259 N 0.66 0.39 0.00 1.25 9.65 -0.48 0.19 114.38 126.04 1i8j h ARG 259 Ca 0.16 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 1i8j h ARG 259 Cb 0.27 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 1i8j h ARG 259 CO -0.01 0.26 0.00 0.39 2.80 0.00 0.00 179.97 183.41 1i8j n GLU 260 N -5.05 0.80 -0.01 0.20 -0.58 -1.04 -3.72 120.64 111.23 1i8j n GLU 260 Ca 0.22 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.98 1i8j n GLU 260 Cb 0.64 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 30.04 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 -1.10 0.20 -3.72 3.49 5.12 0.64 -5.06 116.66 116.24 1i8j n ARG 261 Ca 0.21 -0.94 -0.10 0.00 -1.93 0.00 0.00 57.85 55.09 1i8j n ARG 261 Cb 0.16 -1.10 -0.06 0.00 -1.16 0.00 0.00 32.46 30.30 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 -0.50 0.10 -1.63 0.55 -1.32 -1.06 -5.04 115.64 106.75 1i8j s THR 262 Ca 0.06 -0.80 0.16 0.00 -1.21 0.00 0.00 61.69 59.90 1i8j s THR 262 Cb 0.04 -1.23 0.04 0.00 -1.51 0.00 0.00 72.50 69.84 1i8j s THR 262 CO 0.06 -0.44 0.90 -0.62 -2.21 0.00 0.00 174.62 172.30 1i8j n GLU 263 N -0.16 1.58 -1.76 7.08 -0.58 -1.26 -4.86 120.64 120.68 1i8j n GLU 263 Ca -0.16 -1.00 -0.33 0.00 -0.42 0.00 0.00 57.16 55.25 1i8j n GLU 263 Cb 0.63 -1.28 0.05 0.00 -0.57 0.00 0.00 31.44 30.27 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 -1.82 3.38 0.47 -4.62 1.43 -1.26 -4.99 118.68 111.27 1i8j s LEU 264 Ca 0.15 1.98 -0.22 0.00 -1.03 0.00 0.00 54.13 55.00 1i8j s LEU 264 Cb 0.13 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.73 1i8j s LEU 264 CO 0.34 -1.60 1.14 -2.84 0.23 0.00 0.00 176.35 173.61 1i8j s PRO 265 N -4.13 3.73 -0.15 1.29 0.02 -1.26 -4.91 135.00 129.59 1i8j s PRO 265 Ca 0.66 1.68 0.02 0.00 0.02 0.00 0.00 61.00 63.38 1i8j s PRO 265 Cb -0.20 -2.32 0.01 0.00 0.02 0.00 0.00 34.50 32.01 1i8j s PRO 265 CO 0.42 -0.55 -0.20 0.42 -0.33 0.00 0.00 177.00 176.75 1i8j s ILE 266 N -1.63 1.98 0.26 2.83 1.01 -1.26 -1.84 121.20 122.55 1i8j s ILE 266 Ca 0.65 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.39 1i8j s ILE 266 Cb -0.26 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1i8j s ILE 266 CO 0.31 0.53 0.44 -0.83 0.00 0.00 0.00 174.94 175.39 1i8j s GLY 267 N 1.05 1.51 -0.03 6.18 0.00 0.15 -0.18 107.32 116.01 1i8j s GLY 267 Ca -0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 43.76 1i8j s GLY 267 CO -0.07 -0.90 0.05 0.00 0.00 0.00 0.00 173.10 172.18 1i8j s ALA 268 N -2.04 0.01 -0.38 3.20 0.00 -0.18 -1.09 121.76 121.28 1i8j s ALA 268 Ca 0.38 0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.56 1i8j s ALA 268 Cb -0.10 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1i8j s ALA 268 CO 0.31 -0.11 0.26 -0.47 0.00 0.00 0.00 175.76 175.75 1i8j s TYR 269 N 1.02 3.23 -0.94 0.00 6.14 -0.76 -0.60 117.35 125.44 1i8j s TYR 269 Ca -0.08 -0.56 -0.22 0.00 0.64 0.00 0.00 57.07 56.84 1i8j s TYR 269 Cb -0.12 -2.52 0.08 0.00 0.42 0.00 0.00 41.96 39.82 1i8j s TYR 269 CO -0.03 -0.53 1.30 -1.14 0.64 0.00 0.00 175.55 175.78 1i8j s GLN 270 N 1.66 3.53 0.81 4.97 0.74 -0.12 -0.90 119.66 130.36 1i8j s GLN 270 Ca 0.05 -1.24 -0.10 0.00 0.05 0.00 0.00 55.36 54.12 1i8j s GLN 270 Cb -0.18 -5.04 0.08 0.00 1.10 0.00 0.00 33.01 28.97 1i8j s GLN 270 CO 0.09 -2.04 1.11 0.14 -0.55 0.00 0.00 175.29 174.04 1i8j s VAL 271 N 4.23 2.98 0.31 1.34 -7.23 -1.26 -4.54 120.40 116.23 1i8j s VAL 271 Ca 0.39 0.32 0.07 0.00 -1.81 0.00 0.00 61.98 60.95 1i8j s VAL 271 Cb -0.03 -2.68 0.30 0.00 0.56 0.00 0.00 36.38 34.53 1i8j s VAL 271 CO -0.06 -0.42 1.71 0.77 -0.31 0.00 0.00 175.10 176.79 1i8j h SER 272 N -1.33 0.48 -0.56 4.85 4.64 -1.94 0.62 113.55 120.31 1i8j h SER 272 Ca -0.43 0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 1i8j h SER 272 Cb 1.24 0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.40 1i8j h SER 272 CO 0.49 0.03 0.27 1.23 -0.87 0.00 0.00 176.83 177.97 1i8j h GLY 273 N 0.47 0.91 1.06 -0.77 0.00 -0.72 0.13 103.07 104.15 1i8j h GLY 273 Ca 0.61 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 47.40 1i8j h GLY 273 CO -0.51 0.42 -0.10 0.83 0.00 0.00 0.00 176.54 177.17 1i8j h GLU 274 N 0.85 0.96 -0.19 4.80 5.08 -1.11 -1.24 114.58 123.72 1i8j h GLU 274 Ca 0.21 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1i8j h GLU 274 Cb 0.12 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1i8j h GLU 274 CO -0.02 1.02 0.07 -0.92 -1.00 0.00 0.00 179.01 178.16 1i8j h TYR 275 N 0.82 0.29 -0.57 4.33 5.03 -0.84 -2.53 116.97 123.50 1i8j h TYR 275 Ca 0.13 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.43 1i8j h TYR 275 Cb 0.65 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.82 1i8j h TYR 275 CO 0.05 0.34 0.36 0.00 -1.32 0.00 0.00 178.16 177.59 1i8j h ALA 276 N 0.91 0.72 -0.45 1.82 0.00 -0.66 -0.17 119.26 121.43 1i8j h ALA 276 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1i8j h ALA 276 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1i8j h ALA 276 CO -0.00 0.11 0.15 0.52 0.00 0.00 0.00 179.25 180.03 1i8j h MET 277 N 0.73 0.65 0.03 0.00 2.86 -1.09 0.21 114.93 118.32 1i8j h MET 277 Ca 0.22 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1i8j h MET 277 Cb -0.04 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.51 1i8j h MET 277 CO -0.07 0.56 -0.01 0.82 1.06 0.00 0.00 176.91 179.27 1i8j h ILE 278 N 0.64 1.40 -0.37 -1.22 2.04 -1.13 -2.97 117.51 115.90 1i8j h ILE 278 Ca 0.15 -1.48 0.03 0.00 1.00 0.00 0.00 64.86 64.57 1i8j h ILE 278 Cb 0.17 2.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 1i8j h ILE 278 CO -0.01 0.37 0.16 0.11 0.00 0.00 0.00 178.15 178.78 1i8j h LYS 279 N -0.70 0.33 0.00 2.37 1.79 -0.77 -1.34 116.57 118.24 1i8j h LYS 279 Ca -0.00 -0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.34 1i8j h LYS 279 Cb 0.63 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 1i8j h LYS 279 CO 0.01 0.22 -0.50 0.74 -1.08 0.00 0.00 179.45 178.83 1i8j h PHE 280 N 0.34 0.00 0.01 -1.35 0.04 -0.70 -1.60 116.94 113.69 1i8j h PHE 280 Ca 0.16 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.73 1i8j h PHE 280 Cb 0.10 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1i8j h PHE 280 CO -0.12 0.50 -0.92 0.00 -0.60 0.00 0.00 178.31 177.17 1i8j h ALA 281 N 1.50 0.47 -0.25 2.45 0.00 -1.35 -2.47 119.26 119.61 1i8j h ALA 281 Ca -0.01 -0.76 -0.05 0.00 0.00 0.00 0.00 54.91 54.10 1i8j h ALA 281 Cb 1.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1i8j h ALA 281 CO 0.07 0.96 -0.02 0.00 0.00 0.00 0.00 179.25 180.25 1i8j h ALA 282 N 0.95 0.34 0.00 0.00 0.00 -1.08 0.91 119.26 120.38 1i8j h ALA 282 Ca -0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1i8j h ALA 282 Cb 1.57 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1i8j h ALA 282 CO 0.14 0.09 -0.14 -0.07 0.00 0.00 0.00 179.25 179.28 1i8j h LEU 283 N 0.22 0.00 -0.58 0.00 3.38 -1.31 0.34 115.31 117.36 1i8j h LEU 283 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1i8j h LEU 283 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1i8j h LEU 283 CO 0.02 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.68 1i8j n ALA 284 N -2.42 2.56 -1.09 1.53 0.00 -0.93 -4.90 120.51 115.25 1i8j n ALA 284 Ca -0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 53.44 53.06 1i8j n ALA 284 Cb 0.22 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 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 0.96 0.46 0.17 0.00 0.00 0.11 -4.92 105.19 101.97 1i8j n GLY 285 Ca 0.15 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 1.14 -2.63 4.61 0.00 -1.02 -3.47 119.26 117.90 1i8j h ALA 286 Ca -0.06 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 1i8j h ALA 286 Cb 0.70 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.29 1i8j h ALA 286 CO 0.09 0.56 -0.48 0.96 0.00 0.00 0.00 179.25 180.38 1i8j s ILE 287 N -3.84 0.02 -0.40 0.00 -4.36 -1.23 -5.02 121.20 106.37 1i8j s ILE 287 Ca -0.02 -1.80 -0.17 0.00 -0.26 0.00 0.00 60.65 58.40 1i8j s ILE 287 Cb 0.13 -2.31 0.01 0.00 1.25 0.00 0.00 42.46 41.54 1i8j s ILE 287 CO 0.72 -0.09 0.46 -0.62 0.24 0.00 0.00 174.94 175.65 1i8j s ASP 288 N -3.10 6.22 0.15 4.36 -1.08 -1.26 -4.49 116.67 117.48 1i8j s ASP 288 Ca 0.31 -0.49 -0.22 0.00 -0.52 0.00 0.00 52.55 51.63 1i8j s ASP 288 Cb 0.05 -2.24 0.03 0.00 -1.46 0.00 0.00 42.92 39.31 1i8j s ASP 288 CO 0.09 -0.56 1.63 -0.08 0.52 0.00 0.00 175.17 176.77 1i8j h GLU 289 N 8.68 -0.23 -0.26 4.34 4.81 -1.91 -1.55 114.58 128.45 1i8j h GLU 289 Ca -0.27 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1i8j h GLU 289 Cb 1.12 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1i8j h GLU 289 CO 0.79 -0.16 0.13 1.49 -0.73 0.00 0.00 179.01 180.54 1i8j h GLU 290 N -0.24 0.27 -0.44 1.92 4.81 -1.99 0.13 114.58 119.04 1i8j h GLU 290 Ca 0.14 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1i8j h GLU 290 Cb 0.46 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1i8j h GLU 290 CO -0.40 0.18 0.25 0.87 -0.73 0.00 0.00 179.01 179.19 1i8j h LYS 291 N 0.28 0.61 -0.63 1.92 1.57 -1.93 -1.41 116.57 116.98 1i8j h LYS 291 Ca 0.10 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1i8j h LYS 291 Cb 0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1i8j h LYS 291 CO -0.06 0.48 0.09 0.28 -0.57 0.00 0.00 179.45 179.67 1i8j h VAL 292 N 0.58 1.26 0.17 0.50 2.07 -1.07 -0.52 116.25 119.24 1i8j h VAL 292 Ca 0.16 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1i8j h VAL 292 Cb 0.03 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1i8j h VAL 292 CO -0.03 0.38 -0.08 0.58 0.02 0.00 0.00 177.57 178.44 1i8j h VAL 293 N 0.97 0.89 -0.79 2.57 2.07 -0.59 -0.78 116.25 120.58 1i8j h VAL 293 Ca 0.19 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1i8j h VAL 293 Cb 0.44 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1i8j h VAL 293 CO 0.01 0.07 0.48 -0.07 0.02 0.00 0.00 177.57 178.08 1i8j h LEU 294 N -0.37 0.94 -0.41 2.57 3.38 -1.25 0.82 115.31 120.99 1i8j h LEU 294 Ca -0.02 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1i8j h LEU 294 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1i8j h LEU 294 CO 0.04 0.72 -0.20 -0.08 0.09 0.00 0.00 178.44 179.02 1i8j h GLU 295 N 1.09 0.86 0.13 1.13 4.81 -0.95 -0.57 114.58 121.08 1i8j h GLU 295 Ca 0.29 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1i8j h GLU 295 Cb -0.05 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1i8j h GLU 295 CO -0.05 1.02 -0.06 0.77 -0.73 0.00 0.00 179.01 179.95 1i8j h SER 296 N 0.68 -0.15 -0.89 1.04 0.02 -0.67 0.08 113.55 113.66 1i8j h SER 296 Ca 0.09 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1i8j h SER 296 Cb 0.76 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 1i8j h SER 296 CO 0.06 0.15 0.53 -0.07 -1.14 0.00 0.00 176.83 176.35 1i8j h LEU 297 N -0.45 1.08 -1.54 5.07 3.38 -0.91 -2.07 115.31 119.87 1i8j h LEU 297 Ca -0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1i8j h LEU 297 Cb 0.36 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1i8j h LEU 297 CO 0.03 0.84 0.16 1.23 0.09 0.00 0.00 178.44 180.79 1i8j h GLY 298 N 1.24 0.50 1.08 0.83 0.00 -0.86 -2.00 103.07 103.86 1i8j h GLY 298 Ca 0.32 -0.22 -0.15 0.00 0.00 0.00 0.00 47.33 47.28 1i8j h GLY 298 CO -0.06 0.21 -0.37 1.76 0.00 0.00 0.00 176.54 178.07 1i8j h SER 299 N 0.47 0.93 -0.63 0.19 0.02 -0.38 -0.52 113.55 113.62 1i8j h SER 299 Ca 0.12 -0.48 0.02 0.00 -0.84 0.00 0.00 61.79 60.61 1i8j h SER 299 Cb 0.06 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 1i8j h SER 299 CO -0.02 1.22 0.41 0.40 -1.14 0.00 0.00 176.83 177.70 1i8j h ILE 300 N 0.66 1.12 -0.59 3.27 2.04 -0.89 0.80 117.51 123.92 1i8j h ILE 300 Ca 0.05 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 1i8j h ILE 300 Cb 0.97 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1i8j h ILE 300 CO 0.09 0.15 0.04 0.11 0.00 0.00 0.00 178.15 178.54 1i8j h LYS 301 N 0.82 1.02 -0.83 2.37 1.79 -1.27 -2.56 116.57 117.90 1i8j h LYS 301 Ca 0.24 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1i8j h LYS 301 Cb -0.04 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.47 1i8j h LYS 301 CO -0.08 0.99 0.49 -0.09 -1.08 0.00 0.00 179.45 179.68 1i8j h ARG 302 N 0.91 1.13 0.00 3.15 2.43 -0.37 -1.86 114.38 119.77 1i8j h ARG 302 Ca 0.17 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1i8j h ARG 302 Cb 0.50 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1i8j h ARG 302 CO 0.02 0.80 0.00 0.00 -1.51 0.00 0.00 179.97 179.28 1i8j h ALA 303 N 1.39 1.00 0.00 2.80 0.00 -0.72 -3.46 119.26 120.27 1i8j h ALA 303 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1i8j h ALA 303 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i8j h ALA 303 CO -0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.61 1i8j n GLY 304 N -0.42 1.05 3.74 0.00 0.00 -0.70 -2.61 105.19 106.25 1i8j n GLY 304 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.89 3.41 -0.01 4.61 0.00 -0.98 -4.79 121.76 122.11 1i8j s ALA 305 Ca 0.00 0.90 0.03 0.00 0.00 0.00 0.00 51.96 52.89 1i8j s ALA 305 Cb 0.00 -3.40 -0.25 0.00 0.00 0.00 0.00 23.12 19.47 1i8j s ALA 305 CO 0.00 -0.33 0.78 -0.44 0.00 0.00 0.00 175.76 175.77 1i8j h ASP 306 N 5.30 0.21 -4.11 0.00 5.19 -0.92 -3.42 116.42 118.68 1i8j h ASP 306 Ca -0.44 -0.34 -0.33 0.00 -0.62 0.00 0.00 57.03 55.30 1i8j h ASP 306 Cb 1.21 -0.07 -0.27 0.00 0.18 0.00 0.00 39.33 40.39 1i8j h ASP 306 CO 0.74 1.29 -0.75 -0.76 -3.12 0.00 0.00 179.24 176.64 1i8j s LEU 307 N -6.65 2.07 -0.11 1.55 1.43 -1.17 -4.75 118.68 111.06 1i8j s LEU 307 Ca -0.08 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1i8j s LEU 307 Cb 0.08 -0.28 0.01 0.00 0.03 0.00 0.00 46.19 46.02 1i8j s LEU 307 CO 0.83 0.02 -0.18 -0.63 0.23 0.00 0.00 176.35 176.61 1i8j s ILE 308 N -0.41 1.66 -0.33 -0.59 1.01 0.15 -1.01 121.20 121.68 1i8j s ILE 308 Ca -0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 60.65 59.63 1i8j s ILE 308 Cb -0.04 -1.49 0.01 0.00 0.01 0.00 0.00 42.46 40.95 1i8j s ILE 308 CO -0.00 0.47 0.92 -0.36 0.00 0.00 0.00 174.94 175.97 1i8j s PHE 309 N 0.79 3.14 -0.05 3.97 0.08 0.24 -0.29 117.98 125.86 1i8j s PHE 309 Ca -0.10 0.90 -0.02 0.00 0.12 0.00 0.00 56.93 57.83 1i8j s PHE 309 Cb -0.16 -3.51 0.04 0.00 -0.57 0.00 0.00 43.02 38.81 1i8j s PHE 309 CO 0.01 -0.72 0.10 0.45 -0.10 0.00 0.00 175.22 174.96 1i8j s SER 310 N 1.73 0.03 0.24 1.36 0.15 -0.10 -0.94 113.70 116.17 1i8j s SER 310 Ca 0.38 0.19 0.24 0.00 0.70 0.00 0.00 55.95 57.47 1i8j s SER 310 Cb -0.13 0.08 0.92 0.00 -1.71 0.00 0.00 66.02 65.19 1i8j s SER 310 CO 0.16 -0.15 1.73 -1.22 1.20 0.00 0.00 173.24 174.96 1i8j n TYR 311 N 4.28 0.83 1.32 3.44 4.01 -1.26 -2.45 117.16 127.34 1i8j n TYR 311 Ca -0.26 0.30 0.14 0.00 -0.16 0.00 0.00 57.90 57.92 1i8j n TYR 311 Cb 0.51 -0.98 0.58 0.00 -0.31 0.00 0.00 39.34 39.14 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 -2.23 0.00 -0.14 -0.72 3.72 -1.26 -4.47 117.46 112.36 1i8j n PHE 312 Ca 0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.40 1i8j n PHE 312 Cb 0.30 -0.22 0.03 0.00 -0.94 0.00 0.00 39.48 38.65 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 3.49 0.34 -0.49 4.37 0.00 -1.83 -1.70 119.26 123.43 1i8j h ALA 313 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1i8j h ALA 313 Cb 0.39 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1i8j h ALA 313 CO 0.00 -0.43 -0.15 1.25 0.00 0.00 0.00 179.25 179.92 1i8j h LEU 314 N 0.04 0.95 -0.03 0.00 5.85 -1.85 0.11 115.31 120.38 1i8j h LEU 314 Ca 0.22 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1i8j h LEU 314 Cb 0.33 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1i8j h LEU 314 CO -0.43 1.09 0.02 0.44 -0.34 0.00 0.00 178.44 179.22 1i8j h ASP 315 N 0.83 0.03 -0.81 1.25 5.19 -1.83 0.11 116.42 121.21 1i8j h ASP 315 Ca 0.13 -0.05 0.10 0.00 -0.62 0.00 0.00 57.03 56.59 1i8j h ASP 315 Cb 0.69 -0.01 -0.08 0.00 0.18 0.00 0.00 39.33 40.12 1i8j h ASP 315 CO 0.05 0.07 0.44 -0.07 -3.12 0.00 0.00 179.24 176.62 1i8j h LEU 316 N -0.01 0.61 0.82 1.55 3.38 -1.15 0.17 115.31 120.68 1i8j h LEU 316 Ca 0.01 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1i8j h LEU 316 Cb 0.04 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1i8j h LEU 316 CO -0.00 0.33 -0.39 0.00 0.09 0.00 0.00 178.44 178.47 1i8j h ALA 317 N 1.47 -1.26 -0.89 1.53 0.00 -0.40 -1.95 119.26 117.77 1i8j h ALA 317 Ca 0.40 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1i8j h ALA 317 Cb 0.42 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1i8j h ALA 317 CO -0.27 -1.18 0.48 0.93 0.00 0.00 0.00 179.25 179.21 1i8j h GLU 318 N -1.13 1.24 -0.27 0.00 5.08 -0.64 -1.90 114.58 116.96 1i8j h GLU 318 Ca -0.11 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1i8j h GLU 318 Cb 0.84 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1i8j h GLU 318 CO 0.18 0.91 0.00 1.63 -1.00 0.00 0.00 179.01 180.74 1i8j n LYS 319 N -4.33 0.95 -1.45 2.33 5.02 0.59 -4.86 118.16 116.40 1i8j n LYS 319 Ca 0.09 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.28 1i8j n LYS 319 Cb 0.10 -1.13 -0.04 0.00 -0.02 0.00 0.00 35.03 33.94 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 -0.35 -1.37 -0.04 1.97 -0.00 -0.72 -4.81 118.16 112.84 1i8j n LYS 320 Ca 0.00 0.61 -0.06 0.00 -0.00 0.00 0.00 58.31 58.86 1i8j n LYS 320 Cb 0.07 -4.86 0.12 0.00 -0.00 0.00 0.00 35.03 30.36 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 1.27 -4.24 0.58 2.04 -1.60 -3.43 117.51 112.14 1i8j h ILE 321 Ca -0.22 -1.36 -0.54 0.00 1.00 0.00 0.00 64.86 63.74 1i8j h ILE 321 Cb 0.75 1.31 -0.28 0.00 -0.74 0.00 0.00 36.82 37.87 1i8j h ILE 321 CO 0.31 0.44 -0.83 -0.76 0.00 0.00 0.00 178.15 177.32 1i8j s LEU 322 N -8.76 2.09 0.00 1.44 1.43 -1.11 -5.06 118.68 108.70 1i8j s LEU 322 Ca -0.08 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1i8j s LEU 322 Cb 0.13 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.48 1i8j s LEU 322 CO 0.82 0.17 0.27 -2.11 0.23 0.00 0.00 176.35 175.73