#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1j n LYS 2 N 0.00 0.00 -3.72 -1.40 2.85 -0.94 -4.87 118.16 110.07 3a1j n LYS 2 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 3a1j n LYS 2 Cb 0.00 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.25 3a1j n LYS 2 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 3a1j s PHE 3 N -2.00 -0.37 -0.14 5.58 5.36 -1.26 -0.77 117.98 124.39 3a1j s PHE 3 Ca 0.00 0.86 -0.05 0.00 -0.96 0.00 0.00 56.93 56.78 3a1j s PHE 3 Cb 0.00 0.07 0.07 0.00 -0.34 0.00 0.00 43.02 42.81 3a1j s PHE 3 CO 0.00 -0.25 0.29 0.50 -1.46 0.00 0.00 175.22 174.30 3a1j s ARG 4 N 1.35 0.19 0.07 10.12 3.52 0.18 -0.96 118.95 133.43 3a1j s ARG 4 Ca -0.09 0.76 -0.01 0.00 -0.13 0.00 0.00 55.73 56.27 3a1j s ARG 4 Cb -0.10 0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.25 3a1j s ARG 4 CO -0.09 -0.25 -0.02 0.00 -0.81 0.00 0.00 175.30 174.13 3a1j s ALA 5 N 2.21 0.62 -0.03 6.12 0.00 0.03 -1.08 121.76 129.64 3a1j s ALA 5 Ca -0.01 -1.27 -0.10 0.00 0.00 0.00 0.00 51.96 50.57 3a1j s ALA 5 Cb -0.12 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.39 3a1j s ALA 5 CO -0.09 -0.38 0.23 0.21 0.00 0.00 0.00 175.76 175.72 3a1j s LYS 6 N -3.94 0.48 -0.11 0.00 2.20 -0.19 -0.81 119.74 117.37 3a1j s LYS 6 Ca 0.11 -0.11 0.02 0.00 -0.36 0.00 0.00 55.97 55.63 3a1j s LYS 6 Cb 0.08 0.21 0.02 0.00 -1.51 0.00 0.00 37.83 36.62 3a1j s LYS 6 CO -0.07 -0.11 -0.15 0.42 -0.36 0.00 0.00 175.35 175.08 3a1j s ILE 7 N -0.90 1.49 -0.19 5.43 1.01 0.60 -1.21 121.20 127.42 3a1j s ILE 7 Ca -0.10 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 59.94 3a1j s ILE 7 Cb -0.05 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 41.06 3a1j s ILE 7 CO 0.02 0.44 0.40 0.55 0.00 0.00 0.00 174.94 176.35 3a1j n VAL 8 N 4.24 0.00 -3.51 2.92 3.14 -1.26 -0.72 118.33 123.15 3a1j n VAL 8 Ca -0.19 -0.49 -0.38 0.00 -2.96 0.00 0.00 64.34 60.32 3a1j n VAL 8 Cb 0.51 1.03 -0.10 0.00 -1.06 0.00 0.00 33.84 34.22 3a1j n VAL 8 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3a1j s ASP 9 N -0.50 6.12 0.19 6.55 -1.08 -1.26 -4.84 116.67 121.85 3a1j s ASP 9 Ca 0.02 0.12 -0.19 0.00 -0.52 0.00 0.00 52.55 51.97 3a1j s ASP 9 Cb 0.02 -2.16 0.15 0.00 -1.46 0.00 0.00 42.92 39.46 3a1j s ASP 9 CO 0.04 -0.10 1.60 1.23 0.52 0.00 0.00 175.17 178.46 3a1j h GLY 10 N 8.44 0.02 1.03 2.66 0.00 -1.91 0.32 103.07 113.63 3a1j h GLY 10 Ca -0.34 0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 3a1j h GLY 10 CO 0.59 -0.22 0.49 0.00 0.00 0.00 0.00 176.54 177.41 3a1j h ALA 11 N 1.13 1.16 -0.32 3.60 0.00 -1.99 -1.76 119.26 121.07 3a1j h ALA 11 Ca 0.24 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3a1j h ALA 11 Cb 0.53 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3a1j h ALA 11 CO -0.65 0.67 0.06 0.00 0.00 0.00 0.00 179.25 179.33 3a1j h LEU 13 N 0.37 0.84 0.04 0.00 6.46 -0.08 -0.61 115.31 122.32 3a1j h LEU 13 Ca 0.10 -0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.58 3a1j h LEU 13 Cb 0.34 -0.18 0.02 0.00 -0.73 0.00 0.00 40.66 40.11 3a1j h LEU 13 CO 0.01 0.55 -1.14 0.78 -0.62 0.00 0.00 178.44 178.02 3a1j h ASN 14 N 0.96 0.84 -0.01 1.25 4.21 -1.01 -2.53 115.58 119.28 3a1j h ASN 14 Ca 0.35 -0.73 0.02 0.00 1.21 0.00 0.00 56.30 57.15 3a1j h ASN 14 Cb 0.15 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.07 3a1j h ASN 14 CO -0.12 1.53 -0.09 -0.74 -1.29 0.00 0.00 177.43 176.73 3a1j h HIS 15 N 0.31 -0.23 -0.61 1.19 2.76 -0.35 -0.50 115.15 117.72 3a1j h HIS 15 Ca -0.15 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.11 3a1j h HIS 15 Cb 1.81 0.10 -0.06 0.00 1.55 0.00 0.00 27.41 30.80 3a1j h HIS 15 CO 0.10 -0.14 0.27 0.35 -1.30 0.00 0.00 177.93 177.21 3a1j h PHE 16 N -0.15 0.47 -0.90 5.26 3.57 -1.18 -1.31 116.94 122.70 3a1j h PHE 16 Ca 0.04 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.58 3a1j h PHE 16 Cb 0.20 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 3a1j h PHE 16 CO -0.16 0.16 0.60 1.15 -2.23 0.00 0.00 178.31 177.83 3a1j h THR 17 N 0.48 1.23 -0.44 4.41 2.02 -0.98 -0.21 112.91 119.41 3a1j h THR 17 Ca 0.30 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 3a1j h THR 17 Cb 0.31 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 3a1j h THR 17 CO -0.26 0.22 0.05 0.03 0.37 0.00 0.00 175.52 175.93 3a1j h ARG 18 N 1.22 0.75 -0.69 6.66 3.08 -0.18 -0.25 114.38 124.97 3a1j h ARG 18 Ca 0.33 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3a1j h ARG 18 Cb -0.14 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.79 3a1j h ARG 18 CO -0.07 0.79 0.38 0.82 -1.07 0.00 0.00 179.97 180.81 3a1j h ILE 19 N 0.61 1.21 -0.73 2.04 2.04 -0.87 -2.22 117.51 119.58 3a1j h ILE 19 Ca 0.13 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3a1j h ILE 19 Cb 0.42 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3a1j h ILE 19 CO 0.01 0.23 0.35 -1.28 0.00 0.00 0.00 178.15 177.47 3a1j h SER 20 N 0.94 0.96 0.00 1.72 0.87 -0.76 -2.20 113.55 115.08 3a1j h SER 20 Ca 0.24 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3a1j h SER 20 Cb 0.04 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 3a1j h SER 20 CO -0.04 0.82 0.00 0.59 -0.53 0.00 0.00 176.83 177.67 3a1j n ASN 21 N -4.41 0.64 0.00 6.23 3.02 -0.13 -2.06 115.26 118.54 3a1j n ASN 21 Ca 0.06 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 3a1j n ASN 21 Cb 0.13 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 3a1j n ASN 21 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3a1j n ILE 23 N 0.84 0.00 0.29 2.41 -6.64 -0.83 -3.06 119.36 112.38 3a1j n ILE 23 Ca 0.00 0.00 0.16 0.00 -1.77 0.00 0.00 62.75 61.14 3a1j n ILE 23 Cb 0.11 0.00 0.80 0.00 -1.44 0.00 0.00 39.64 39.11 3a1j n ILE 23 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3a1j h ALA 24 N 0.00 1.00 0.05 -1.28 0.00 -1.64 -1.69 119.26 115.70 3a1j h ALA 24 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 3a1j h ALA 24 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3a1j h ALA 24 CO 0.00 0.00 -1.79 1.63 0.00 0.00 0.00 179.25 179.09 3a1j n LYS 25 N -2.70 0.65 0.22 0.00 4.76 -1.17 -4.43 118.16 115.49 3a1j n LYS 25 Ca -0.01 0.39 0.08 0.00 -2.87 0.00 0.00 58.31 55.90 3a1j n LYS 25 Cb 0.14 -1.68 0.52 0.00 -1.84 0.00 0.00 35.03 32.16 3a1j n LYS 25 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3a1j h LEU 26 N -0.52 0.00 -7.05 -0.35 3.38 -1.73 -3.45 115.31 105.59 3a1j h LEU 26 Ca -0.44 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 3a1j h LEU 26 Cb 1.66 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 42.20 3a1j h LEU 26 CO -0.12 0.25 0.05 0.00 0.09 0.00 0.00 178.44 178.71 3a1j s ALA 27 N -4.01 -1.67 0.21 1.53 0.00 -0.68 -4.99 121.76 112.15 3a1j s ALA 27 Ca -0.02 1.96 -0.05 0.00 0.00 0.00 0.00 51.96 53.85 3a1j s ALA 27 Cb 0.13 -1.14 0.16 0.00 0.00 0.00 0.00 23.12 22.27 3a1j s ALA 27 CO 0.65 -0.32 1.60 -0.22 0.00 0.00 0.00 175.76 177.47 3a1j h LYS 28 N 5.42 0.76 -5.53 0.00 3.64 -1.84 -3.41 116.57 115.62 3a1j h LYS 28 Ca -0.29 -0.33 -0.50 0.00 -1.27 0.00 0.00 60.65 58.25 3a1j h LYS 28 Cb 1.17 -0.02 -0.27 0.00 -0.41 0.00 0.00 32.23 32.70 3a1j h LYS 28 CO 0.10 0.95 -0.82 0.99 -2.27 0.00 0.00 179.45 178.40 3a1j s THR 29 N -4.52 1.27 0.20 1.00 2.01 -1.26 -1.82 115.64 112.53 3a1j s THR 29 Ca -0.09 -0.85 -0.07 0.00 0.31 0.00 0.00 61.69 60.98 3a1j s THR 29 Cb 0.13 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.52 3a1j s THR 29 CO 0.84 0.23 0.29 0.00 -0.69 0.00 0.00 174.62 175.29 3a1j s THR 31 N -4.05 3.11 -0.31 0.00 2.01 0.01 -1.34 115.64 115.07 3a1j s THR 31 Ca 0.27 -0.65 -0.10 0.00 0.31 0.00 0.00 61.69 61.52 3a1j s THR 31 Cb 0.03 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 3a1j s THR 31 CO 0.07 0.53 0.17 -0.22 -0.69 0.00 0.00 174.62 174.48 3a1j s LEU 32 N 0.27 4.14 -0.23 4.42 2.96 0.15 0.04 118.68 130.43 3a1j s LEU 32 Ca -0.09 -0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 53.27 3a1j s LEU 32 Cb -0.15 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 3a1j s LEU 32 CO 0.05 -0.18 0.20 -0.60 -1.32 0.00 0.00 176.35 174.51 3a1j s ARG 33 N 1.65 4.08 -0.15 1.98 3.52 0.40 -1.37 118.95 129.07 3a1j s ARG 33 Ca 0.05 -0.19 -0.03 0.00 -0.13 0.00 0.00 55.73 55.44 3a1j s ARG 33 Cb -0.17 -3.54 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 3a1j s ARG 33 CO 0.07 0.03 -0.05 0.42 -0.81 0.00 0.00 175.30 174.97 3a1j s ILE 34 N 1.13 3.79 0.27 4.11 1.01 0.37 -1.29 121.20 130.59 3a1j s ILE 34 Ca 0.10 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.37 3a1j s ILE 34 Cb -0.14 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 3a1j s ILE 34 CO 0.05 0.51 0.08 -0.44 0.00 0.00 0.00 174.94 175.13 3a1j s SER 35 N 0.27 1.51 0.51 3.58 0.01 -0.90 -2.12 113.70 116.56 3a1j s SER 35 Ca -0.04 -1.36 0.17 0.00 1.31 0.00 0.00 55.95 56.03 3a1j s SER 35 Cb -0.14 0.09 1.26 0.00 0.21 0.00 0.00 66.02 67.44 3a1j s SER 35 CO 0.03 -0.68 2.11 1.55 0.41 0.00 0.00 173.24 176.66 3a1j h PRO 36 N 2.34 0.04 -0.00 12.44 0.13 -2.00 -3.23 132.00 141.73 3a1j h PRO 36 Ca -0.39 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3a1j h PRO 36 Cb 1.24 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3a1j h PRO 36 CO 0.63 0.03 -0.02 -0.25 -0.23 0.00 0.00 178.00 178.16 3a1j n ASP 37 N -4.50 0.50 -3.96 1.44 8.00 -1.26 -4.96 116.55 111.80 3a1j n ASP 37 Ca 0.00 -0.75 -0.18 0.00 0.71 0.00 0.00 54.79 54.57 3a1j n ASP 37 Cb 0.19 0.55 -0.09 0.00 -0.02 0.00 0.00 41.12 41.75 3a1j n ASP 37 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3a1j s LYS 38 N -0.63 1.56 -0.15 -1.24 1.02 -1.22 -1.43 119.74 117.65 3a1j s LYS 38 Ca 0.01 -1.88 -0.06 0.00 0.02 0.00 0.00 55.97 54.06 3a1j s LYS 38 Cb 0.01 -0.02 0.07 0.00 -0.52 0.00 0.00 37.83 37.37 3a1j s LYS 38 CO 0.02 -0.46 0.31 -1.17 -0.92 0.00 0.00 175.35 173.14 3a1j s LEU 39 N -3.35 -0.29 0.00 3.17 2.96 -0.90 -2.11 118.68 118.16 3a1j s LEU 39 Ca 0.37 0.72 0.08 0.00 -0.22 0.00 0.00 54.13 55.07 3a1j s LEU 39 Cb 0.05 0.93 -0.02 0.00 0.50 0.00 0.00 46.19 47.65 3a1j s LEU 39 CO 0.18 -0.22 -0.24 0.20 -1.32 0.00 0.00 176.35 174.95 3a1j s ASN 40 N 2.25 2.79 -0.20 3.68 -0.87 -0.42 -0.63 114.94 121.54 3a1j s ASN 40 Ca -0.02 -0.46 -0.06 0.00 -1.57 0.00 0.00 52.86 50.75 3a1j s ASN 40 Cb -0.12 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.25 40.80 3a1j s ASN 40 CO -0.10 0.27 0.02 -0.36 -2.57 0.00 0.00 177.10 174.36 3a1j s PHE 41 N -0.62 3.08 -0.05 2.20 0.08 -0.77 -0.45 117.98 121.44 3a1j s PHE 41 Ca 0.09 -0.35 0.04 0.00 0.12 0.00 0.00 56.93 56.83 3a1j s PHE 41 Cb -0.09 -2.10 0.00 0.00 -0.57 0.00 0.00 43.02 40.25 3a1j s PHE 41 CO -0.00 -0.18 -0.17 0.42 -0.10 0.00 0.00 175.22 175.19 3a1j s ILE 42 N 0.97 1.42 -0.20 0.64 1.01 0.11 -1.46 121.20 123.70 3a1j s ILE 42 Ca 0.02 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 3a1j s ILE 42 Cb -0.14 -1.24 0.06 0.00 0.01 0.00 0.00 42.46 41.15 3a1j s ILE 42 CO 0.02 0.41 0.01 -0.22 0.00 0.00 0.00 174.94 175.16 3a1j s LEU 43 N 0.20 1.48 -0.29 2.97 1.98 -1.26 -0.81 118.68 122.95 3a1j s LEU 43 Ca -0.07 -0.86 0.08 0.00 -2.89 0.00 0.00 54.13 50.39 3a1j s LEU 43 Cb -0.13 -0.73 0.46 0.00 0.66 0.00 0.00 46.19 46.44 3a1j s LEU 43 CO 0.03 -0.28 1.33 0.00 -1.89 0.00 0.00 176.35 175.54 3a1j s ASP 45 N -3.11 5.27 -0.14 0.00 -1.08 -1.25 -4.95 116.67 111.41 3a1j s ASP 45 Ca 0.46 1.49 -0.12 0.00 -0.52 0.00 0.00 52.55 53.86 3a1j s ASP 45 Cb 0.40 -2.51 -0.05 0.00 -1.46 0.00 0.00 42.92 39.30 3a1j s ASP 45 CO -0.01 -2.17 0.26 -1.59 0.52 0.00 0.00 175.17 172.18 3a1j s LYS 46 N 6.75 4.08 0.00 4.34 0.00 -1.26 -3.23 119.74 130.41 3a1j s LYS 46 Ca 0.94 0.06 0.00 0.00 0.00 0.00 0.00 55.97 56.97 3a1j s LYS 46 Cb -0.26 -3.36 0.00 0.00 0.00 0.00 0.00 37.83 34.21 3a1j s LYS 46 CO 0.32 0.39 0.00 1.28 0.00 0.00 0.00 175.35 177.33 3a1j n LEU 47 N 3.10 0.00 -2.32 2.77 4.77 -1.26 -4.82 117.00 119.25 3a1j n LEU 47 Ca -0.14 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.75 3a1j n LEU 47 Cb 0.52 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 3a1j n LEU 47 CO 0.38 -0.03 -0.08 0.61 -1.33 0.00 0.00 177.39 176.94 3a1j n GLY 50 N 2.85 -0.17 2.38 -0.72 0.00 -1.26 -4.99 105.19 103.29 3a1j n GLY 50 Ca 0.00 0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 3a1j n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a1j n GLY 51 N -0.46 4.64 3.74 -0.02 0.00 -1.26 -4.97 105.19 106.86 3a1j n GLY 51 Ca -0.06 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 3a1j n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a1j s VAL 52 N 0.42 3.41 0.00 1.61 0.11 -1.20 -4.73 120.40 120.02 3a1j s VAL 52 Ca 0.62 1.16 0.00 0.00 -2.93 0.00 0.00 61.98 60.83 3a1j s VAL 52 Cb 0.20 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 31.31 3a1j s VAL 52 CO -0.08 0.17 0.00 -1.20 -3.33 0.00 0.00 175.10 170.66 3a1j n SER 53 N 2.68 1.82 0.00 3.54 7.64 -0.74 -3.89 113.62 124.67 3a1j n SER 53 Ca 0.06 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.35 3a1j n SER 53 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 3a1j n SER 53 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 3a1j n TRP 55 N 0.00 0.00 -4.99 1.43 -0.00 0.10 0.01 117.44 113.99 3a1j n TRP 55 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.50 57.18 3a1j n TRP 55 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 31.31 31.17 3a1j n TRP 55 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3a1j s GLU 57 N -0.56 0.87 -0.01 0.00 2.12 -0.67 -1.85 118.70 118.60 3a1j s GLU 57 Ca 0.08 -0.10 0.06 0.00 0.36 0.00 0.00 54.97 55.36 3a1j s GLU 57 Cb -0.11 -0.90 -0.03 0.00 0.26 0.00 0.00 34.13 33.35 3a1j s GLU 57 CO 0.01 -0.10 -0.19 -0.51 -0.54 0.00 0.00 175.26 173.93 3a1j s LEU 58 N 1.04 2.52 -0.58 2.70 1.02 0.20 -3.17 118.68 122.40 3a1j s LEU 58 Ca -0.09 -0.35 -0.18 0.00 0.02 0.00 0.00 54.13 53.53 3a1j s LEU 58 Cb -0.14 -1.49 0.11 0.00 0.02 0.00 0.00 46.19 44.69 3a1j s LEU 58 CO -0.01 0.31 0.66 -1.61 0.02 0.00 0.00 176.35 175.72 3a1j s GLU 59 N -0.96 3.04 0.13 1.70 0.41 -1.26 -2.13 118.70 119.63 3a1j s GLU 59 Ca 0.12 -1.43 0.02 0.00 -0.41 0.00 0.00 54.97 53.28 3a1j s GLU 59 Cb -0.10 -4.28 0.36 0.00 -1.78 0.00 0.00 34.13 28.33 3a1j s GLU 59 CO 0.02 -1.49 0.64 0.94 -0.49 0.00 0.00 175.26 174.87 3a1j n GLN 60 N 6.06 -0.03 0.01 1.61 0.00 -0.51 0.96 117.38 125.47 3a1j n GLN 60 Ca -0.10 0.60 0.06 0.00 -0.00 0.00 0.00 57.00 57.55 3a1j n GLN 60 Cb 0.42 -0.97 0.27 0.00 0.00 0.00 0.00 30.24 29.95 3a1j n GLN 60 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 3a1j n GLU 61 N -4.30 0.02 0.00 3.69 0.28 -1.26 -1.94 120.64 117.13 3a1j n GLU 61 Ca 0.11 0.32 0.13 0.00 -0.16 0.00 0.00 57.16 57.56 3a1j n GLU 61 Cb 0.36 -1.54 0.38 0.00 1.43 0.00 0.00 31.44 32.07 3a1j n GLU 61 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3a1j n ASN 62 N -1.57 1.55 0.03 -1.84 3.02 0.27 -4.59 115.26 112.13 3a1j n ASN 62 Ca 0.03 -1.34 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 3a1j n ASN 62 Cb 0.14 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 3a1j n ASN 62 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3a1j n PHE 63 N -0.01 -0.39 -3.13 3.10 3.72 -0.93 -4.88 117.46 114.95 3a1j n PHE 63 Ca 0.15 0.07 -0.39 0.00 -0.05 0.00 0.00 57.45 57.23 3a1j n PHE 63 Cb 0.39 0.21 -0.06 0.00 -0.94 0.00 0.00 39.48 39.09 3a1j n PHE 63 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3a1j s PHE 64 N -2.00 3.83 -1.04 1.38 0.08 -0.82 -4.65 117.98 114.76 3a1j s PHE 64 Ca 0.00 1.43 0.23 0.00 0.12 0.00 0.00 56.93 58.71 3a1j s PHE 64 Cb 0.00 -2.64 0.09 0.00 -0.57 0.00 0.00 43.02 39.90 3a1j s PHE 64 CO 0.00 0.51 1.13 0.27 -0.10 0.00 0.00 175.22 177.03 3a1j n ASN 65 N 1.86 0.82 -3.74 1.36 0.23 -0.35 -4.71 115.26 110.73 3a1j n ASN 65 Ca -0.07 -0.70 -0.14 0.00 -0.53 0.00 0.00 54.58 53.13 3a1j n ASN 65 Cb 0.50 0.66 -0.15 0.00 -2.08 0.00 0.00 39.78 38.71 3a1j n ASN 65 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3a1j s GLU 66 N -2.98 0.05 -0.16 -3.83 2.02 -1.13 -4.99 118.70 107.68 3a1j s GLU 66 Ca 0.10 0.35 -0.08 0.00 0.02 0.00 0.00 54.97 55.36 3a1j s GLU 66 Cb 0.17 -0.21 0.06 0.00 0.10 0.00 0.00 34.13 34.25 3a1j s GLU 66 CO 0.79 -0.19 0.38 0.12 0.02 0.00 0.00 175.26 176.38 3a1j s PHE 67 N 1.29 -0.58 0.08 1.61 5.36 -1.26 -1.02 117.98 123.45 3a1j s PHE 67 Ca -0.08 1.23 -0.18 0.00 -0.96 0.00 0.00 56.93 56.94 3a1j s PHE 67 Cb -0.12 0.22 0.04 0.00 -0.34 0.00 0.00 43.02 42.82 3a1j s PHE 67 CO -0.05 -0.35 0.43 -0.65 -1.46 0.00 0.00 175.22 173.14 3a1j s GLN 68 N 1.63 1.01 -0.30 10.12 -1.52 -0.24 -5.00 119.66 125.35 3a1j s GLN 68 Ca -0.08 -0.47 -0.11 0.00 -1.95 0.00 0.00 55.36 52.75 3a1j s GLN 68 Cb -0.09 0.45 0.16 0.00 -0.22 0.00 0.00 33.01 33.30 3a1j s GLN 68 CO -0.12 -0.37 0.83 -1.21 -0.25 0.00 0.00 175.29 174.17 3a1j s GLU 70 N -3.00 0.42 0.00 2.91 2.02 0.05 -0.65 118.70 120.45 3a1j s GLU 70 Ca -0.02 0.98 0.00 0.00 0.02 0.00 0.00 54.97 55.95 3a1j s GLU 70 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 34.13 34.82 3a1j s GLU 70 CO -0.06 -0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.41 3a1j n GLY 71 N 5.25 -2.37 0.14 -1.39 0.00 -1.26 -2.22 105.19 103.33 3a1j n GLY 71 Ca -0.09 -1.33 -0.07 0.00 0.00 0.00 0.00 46.02 44.53 3a1j n GLY 71 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3a1j h VAL 72 N -0.57 1.46 -2.05 1.61 -1.51 -1.50 -3.43 116.25 110.26 3a1j h VAL 72 Ca 0.00 -2.37 -0.03 0.00 -1.23 0.00 0.00 66.70 63.07 3a1j h VAL 72 Cb 0.00 2.28 -0.19 0.00 -2.13 0.00 0.00 31.29 31.25 3a1j h VAL 72 CO 0.00 0.69 0.26 -0.94 -1.23 0.00 0.00 177.57 176.35 3a1j s SER 73 N -6.90 -0.60 0.27 4.19 1.04 -1.13 -4.74 113.70 105.83 3a1j s SER 73 Ca -0.03 0.57 -0.02 0.00 0.48 0.00 0.00 55.95 56.95 3a1j s SER 73 Cb 0.11 0.51 0.58 0.00 0.10 0.00 0.00 66.02 67.32 3a1j s SER 73 CO 0.81 -0.61 1.64 0.00 0.98 0.00 0.00 173.24 176.06 3a1j h ALA 74 N 2.79 1.05 0.05 5.32 0.00 -1.99 -0.68 119.26 125.80 3a1j h ALA 74 Ca -0.26 0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3a1j h ALA 74 Cb 1.16 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 3a1j h ALA 74 CO 0.37 -0.44 -0.17 1.05 0.00 0.00 0.00 179.25 180.06 3a1j h GLU 75 N 0.16 -0.30 -3.44 0.00 4.11 -2.01 -3.29 114.58 109.81 3a1j h GLU 75 Ca 0.49 0.02 -0.68 0.00 0.07 0.00 0.00 59.36 59.26 3a1j h GLU 75 Cb 0.93 0.07 -0.37 0.00 0.50 0.00 0.00 28.75 29.88 3a1j h GLU 75 CO -0.66 -0.20 -0.38 -0.80 0.07 0.00 0.00 179.01 177.04 3a1j s ASN 76 N -4.94 5.16 -1.31 3.06 0.01 -0.31 -4.99 114.94 111.62 3a1j s ASN 76 Ca -0.15 -3.14 -0.08 0.00 -0.71 0.00 0.00 52.86 48.78 3a1j s ASN 76 Cb 0.08 -1.81 0.14 0.00 0.41 0.00 0.00 41.25 40.08 3a1j s ASN 76 CO 0.66 -0.28 2.10 -3.20 -1.51 0.00 0.00 177.10 174.87 3a1j n ASN 77 N 3.06 6.28 -4.17 -1.22 5.15 -0.90 -2.84 115.26 120.61 3a1j n ASN 77 Ca 0.11 -3.11 -0.13 0.00 -0.60 0.00 0.00 54.58 50.85 3a1j n ASN 77 Cb 0.36 -1.44 -0.10 0.00 -0.53 0.00 0.00 39.78 38.08 3a1j n ASN 77 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3a1j s GLU 78 N -0.13 1.25 -0.08 1.20 2.02 -1.26 -4.45 118.70 117.26 3a1j s GLU 78 Ca 0.46 -1.67 -0.06 0.00 0.02 0.00 0.00 54.97 53.72 3a1j s GLU 78 Cb 0.13 0.21 0.03 0.00 0.10 0.00 0.00 34.13 34.60 3a1j s GLU 78 CO -0.03 -0.39 0.20 0.42 0.02 0.00 0.00 175.26 175.47 3a1j s ILE 79 N -4.08 -0.01 -0.22 -1.63 1.01 -0.90 -2.70 121.20 112.67 3a1j s ILE 79 Ca 0.39 0.05 0.01 0.00 0.00 0.00 0.00 60.65 61.10 3a1j s ILE 79 Cb 0.07 -0.30 0.05 0.00 0.01 0.00 0.00 42.46 42.30 3a1j s ILE 79 CO 0.13 0.02 -0.07 -0.31 0.00 0.00 0.00 174.94 174.71 3a1j s TYR 80 N 0.46 2.42 -0.14 3.97 2.02 -1.26 -0.48 117.35 124.35 3a1j s TYR 80 Ca -0.03 -1.72 -0.00 0.00 -0.37 0.00 0.00 57.07 54.95 3a1j s TYR 80 Cb -0.04 -1.60 -0.01 0.00 -0.40 0.00 0.00 41.96 39.90 3a1j s TYR 80 CO -0.02 -0.77 -0.12 -0.51 -1.57 0.00 0.00 175.55 172.56 3a1j s LEU 81 N 1.39 2.73 -0.11 -1.29 1.02 -0.47 0.26 118.68 122.22 3a1j s LEU 81 Ca -0.05 -0.33 -0.13 0.00 0.02 0.00 0.00 54.13 53.65 3a1j s LEU 81 Cb -0.18 -1.62 -0.05 0.00 0.02 0.00 0.00 46.19 44.36 3a1j s LEU 81 CO -0.07 0.15 0.30 -0.70 0.02 0.00 0.00 176.35 176.05 3a1j s GLU 82 N 0.41 3.99 0.19 1.70 2.12 0.12 0.30 118.70 127.53 3a1j s GLU 82 Ca -0.10 0.14 -0.08 0.00 0.36 0.00 0.00 54.97 55.29 3a1j s GLU 82 Cb -0.16 -3.32 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 3a1j s GLU 82 CO 0.05 0.48 0.30 -0.48 -0.54 0.00 0.00 175.26 175.07 3a1j s LEU 83 N -0.29 0.84 -0.29 2.70 2.34 -0.45 -1.66 118.68 121.88 3a1j s LEU 83 Ca 0.18 -0.99 -0.20 0.00 0.06 0.00 0.00 54.13 53.19 3a1j s LEU 83 Cb -0.14 1.18 -0.01 0.00 -0.56 0.00 0.00 46.19 46.66 3a1j s LEU 83 CO 0.07 -0.95 0.61 -0.89 -1.06 0.00 0.00 176.35 174.13 3a1j s THR 84 N -4.02 4.97 0.16 5.48 2.01 -1.26 -1.93 115.64 121.05 3a1j s THR 84 Ca 0.23 0.93 -0.19 0.00 0.31 0.00 0.00 61.69 62.96 3a1j s THR 84 Cb 0.03 -3.96 0.08 0.00 0.01 0.00 0.00 72.50 68.66 3a1j s THR 84 CO 0.05 -0.07 1.64 0.28 -0.69 0.00 0.00 174.62 175.83 3a1j h SER 85 N 8.09 -0.61 -0.38 3.53 0.02 -1.60 -1.21 113.55 121.38 3a1j h SER 85 Ca -0.27 0.14 0.11 0.00 -0.84 0.00 0.00 61.79 60.93 3a1j h SER 85 Cb 1.12 0.33 -0.02 0.00 0.14 0.00 0.00 62.40 63.98 3a1j h SER 85 CO 0.78 -0.21 0.31 1.05 -1.14 0.00 0.00 176.83 177.62 3a1j h GLU 86 N -0.12 0.00 -0.28 3.45 -0.00 -1.85 -0.41 114.58 115.37 3a1j h GLU 86 Ca 0.18 0.00 0.03 0.00 -0.00 0.00 0.00 59.36 59.57 3a1j h GLU 86 Cb 0.40 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.12 3a1j h GLU 86 CO -0.43 0.00 0.08 -0.91 -0.00 0.00 0.00 179.01 177.75 3a1j h ASN 87 N 0.00 0.07 0.50 3.06 4.21 -1.60 0.25 115.58 122.06 3a1j h ASN 87 Ca 0.18 0.04 -0.08 0.00 1.21 0.00 0.00 56.30 57.64 3a1j h ASN 87 Cb 0.80 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 38.02 3a1j h ASN 87 CO -0.00 0.07 -0.38 0.25 -1.29 0.00 0.00 177.43 176.08 3a1j h LEU 88 N 0.20 0.00 -0.02 1.61 5.85 -1.11 -2.03 115.31 119.80 3a1j h LEU 88 Ca 0.13 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.66 3a1j h LEU 88 Cb 0.11 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.15 3a1j h LEU 88 CO -0.14 0.38 -0.70 0.28 -0.34 0.00 0.00 178.44 177.92 3a1j h SER 89 N 0.00 0.66 -0.34 1.25 0.02 -1.01 -2.80 113.55 111.32 3a1j h SER 89 Ca -0.00 -0.73 -0.03 0.00 -0.84 0.00 0.00 61.79 60.18 3a1j h SER 89 Cb 0.73 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 3a1j h SER 89 CO 0.05 1.30 0.13 -0.09 -1.14 0.00 0.00 176.83 177.08 3a1j h ARG 90 N 0.08 0.59 -0.39 3.45 2.43 -0.40 -1.71 114.38 118.43 3a1j h ARG 90 Ca -0.08 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 58.91 3a1j h ARG 90 Cb 1.39 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 3a1j h ARG 90 CO 0.14 0.51 -0.13 0.00 -1.51 0.00 0.00 179.97 178.98 3a1j h ALA 91 N 1.57 1.04 -0.15 2.80 0.00 -1.36 -2.46 119.26 120.70 3a1j h ALA 91 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3a1j h ALA 91 Cb 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3a1j h ALA 91 CO -0.01 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.10 3a1j n LEU 92 N -4.16 1.21 -0.31 0.00 4.77 -0.72 -4.40 117.00 113.39 3a1j n LEU 92 Ca 0.01 -0.53 0.14 0.00 -0.03 0.00 0.00 56.01 55.61 3a1j n LEU 92 Cb 0.36 -0.09 0.32 0.00 -2.33 0.00 0.00 43.42 41.68 3a1j n LEU 92 CO 0.42 0.26 1.03 0.50 -1.33 0.00 0.00 177.39 178.28 3a1j h LYS 93 N 1.54 0.33 -0.54 3.23 3.64 -0.86 -2.09 116.57 121.81 3a1j h LYS 93 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3a1j h LYS 93 Cb 0.34 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3a1j h LYS 93 CO 0.00 0.22 0.00 0.25 -2.27 0.00 0.00 179.45 177.65 3a1j n THR 94 N -5.09 1.40 0.14 1.00 -2.24 -1.26 -4.55 114.28 103.67 3a1j n THR 94 Ca 0.23 -1.15 0.02 0.00 -2.27 0.00 0.00 64.05 60.88 3a1j n THR 94 Cb 0.70 0.31 0.08 0.00 -2.10 0.00 0.00 70.33 69.32 3a1j n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a1j n ALA 95 N 0.91 1.19 -0.06 6.98 0.00 -0.79 -2.13 120.51 126.61 3a1j n ALA 95 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.63 3a1j n ALA 95 Cb 0.68 -1.06 0.27 0.00 0.00 0.00 0.00 19.45 19.33 3a1j n ALA 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3a1j h GLN 96 N 0.00 0.67 -0.84 0.00 3.07 -1.80 -2.32 115.11 113.89 3a1j h GLN 96 Ca 0.00 -0.12 -0.59 0.00 0.09 0.00 0.00 58.65 58.03 3a1j h GLN 96 Cb 0.06 -0.11 -0.36 0.00 0.08 0.00 0.00 27.48 27.15 3a1j h GLN 96 CO 0.00 0.61 -0.09 0.09 0.09 0.00 0.00 178.83 179.53 3a1j n ASN 97 N -4.31 6.01 -4.88 0.06 3.02 -0.91 -5.02 115.26 109.24 3a1j n ASN 97 Ca 0.03 -3.77 -0.33 0.00 -0.03 0.00 0.00 54.58 50.48 3a1j n ASN 97 Cb 0.20 -0.61 -0.05 0.00 -0.61 0.00 0.00 39.78 38.70 3a1j n ASN 97 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a1j s ALA 98 N -3.68 3.87 -0.20 5.41 0.00 -0.88 -1.24 121.76 125.04 3a1j s ALA 98 Ca 0.57 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.66 3a1j s ALA 98 Cb 0.45 -1.81 -0.20 0.00 0.00 0.00 0.00 23.12 21.56 3a1j s ALA 98 CO 0.02 0.73 0.05 -2.13 0.00 0.00 0.00 175.76 174.43 3a1j n ARG 99 N 1.02 0.67 -3.83 0.00 0.63 0.64 -4.71 116.66 111.07 3a1j n ARG 99 Ca -0.12 0.28 -0.09 0.00 -0.92 0.00 0.00 57.85 57.00 3a1j n ARG 99 Cb 0.53 -1.63 -0.06 0.00 0.45 0.00 0.00 32.46 31.75 3a1j n ARG 99 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3a1j s ALA 100 N -2.51 -0.35 -0.03 5.13 0.00 -1.10 -4.69 121.76 118.21 3a1j s ALA 100 Ca -0.30 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.13 3a1j s ALA 100 Cb 0.08 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.86 3a1j s ALA 100 CO 0.65 -0.59 -0.07 -1.17 0.00 0.00 0.00 175.76 174.58 3a1j s LEU 101 N -2.88 1.66 -0.05 0.00 2.96 0.11 -1.45 118.68 119.02 3a1j s LEU 101 Ca 0.08 -0.15 0.05 0.00 -0.22 0.00 0.00 54.13 53.89 3a1j s LEU 101 Cb 0.03 -0.46 -0.01 0.00 0.50 0.00 0.00 46.19 46.26 3a1j s LEU 101 CO -0.08 0.02 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.22 3a1j s LYS 102 N 0.40 2.16 -0.04 1.98 1.02 -0.43 -0.29 119.74 124.53 3a1j s LYS 102 Ca -0.06 -0.74 0.06 0.00 0.02 0.00 0.00 55.97 55.25 3a1j s LYS 102 Cb -0.10 -1.84 -0.01 0.00 -0.52 0.00 0.00 37.83 35.37 3a1j s LYS 102 CO 0.00 0.30 -0.21 0.42 -0.92 0.00 0.00 175.35 174.94 3a1j s ILE 103 N -0.03 1.75 -0.22 2.17 1.01 0.01 -0.62 121.20 125.27 3a1j s ILE 103 Ca -0.04 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.57 3a1j s ILE 103 Cb -0.13 -1.49 0.07 0.00 0.01 0.00 0.00 42.46 40.93 3a1j s ILE 103 CO 0.03 0.50 0.55 -0.75 0.00 0.00 0.00 174.94 175.26 3a1j s LYS 104 N -0.17 0.55 -0.10 2.79 2.20 -0.38 -0.79 119.74 123.84 3a1j s LYS 104 Ca -0.01 1.01 -0.30 0.00 -0.36 0.00 0.00 55.97 56.31 3a1j s LYS 104 Cb -0.12 0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.23 3a1j s LYS 104 CO 0.02 -0.16 1.39 -1.17 -0.36 0.00 0.00 175.35 175.08 3a1j s LEU 105 N 1.54 4.25 0.44 5.43 2.96 -0.13 -0.90 118.68 132.27 3a1j s LEU 105 Ca -0.10 1.92 0.03 0.00 -0.22 0.00 0.00 54.13 55.76 3a1j s LEU 105 Cb -0.07 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 3a1j s LEU 105 CO -0.16 -0.79 0.09 0.42 -1.32 0.00 0.00 176.35 174.58 3a1j s THR 106 N 3.39 0.80 -0.37 3.68 -4.23 -0.07 -4.68 115.64 114.15 3a1j s THR 106 Ca 0.61 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.25 3a1j s THR 106 Cb -0.27 -2.29 0.42 0.00 1.34 0.00 0.00 72.50 71.70 3a1j s THR 106 CO 0.21 0.00 1.20 -3.20 -0.54 0.00 0.00 174.62 172.30 3a1j n ASN 107 N -1.30 -0.63 0.00 3.99 2.85 -1.26 -1.96 115.26 116.95 3a1j n ASN 107 Ca -0.10 -2.55 0.00 0.00 -0.11 0.00 0.00 54.58 51.81 3a1j n ASN 107 Cb 0.66 0.43 0.00 0.00 1.24 0.00 0.00 39.78 42.10 3a1j n ASN 107 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3a1j n LYS 108 N -0.40 0.00 0.06 1.20 5.02 -1.26 -4.24 118.16 118.54 3a1j n LYS 108 Ca 0.02 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3a1j n LYS 108 Cb 0.84 -1.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.80 3a1j n LYS 108 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3a1j h HIS 109 N 0.00 0.00 0.00 2.13 3.86 -2.03 -3.49 115.15 115.62 3a1j h HIS 109 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3a1j h HIS 109 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3a1j h HIS 109 CO 0.03 0.58 0.00 1.97 0.86 0.00 0.00 177.93 181.37 3a1j n PHE 110 N -3.00 0.00 -1.65 2.45 -1.74 -1.26 -5.13 117.46 107.13 3a1j n PHE 110 Ca -0.06 0.00 -0.54 0.00 -0.56 0.00 0.00 57.45 56.29 3a1j n PHE 110 Cb 0.82 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.75 3a1j n PHE 110 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 3a1j n PRO 111 N -0.10 1.27 -3.89 3.97 -0.04 -1.26 -4.41 135.00 130.53 3a1j n PRO 111 Ca 0.00 0.46 -0.09 0.00 -0.04 0.00 0.00 63.50 63.84 3a1j n PRO 111 Cb 0.00 -2.14 -0.08 0.00 -0.04 0.00 0.00 33.50 31.25 3a1j n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a1j s LEU 113 N -2.87 4.15 -0.23 0.00 2.96 0.17 -0.90 118.68 121.96 3a1j s LEU 113 Ca 0.05 -0.83 -0.15 0.00 -0.22 0.00 0.00 54.13 52.98 3a1j s LEU 113 Cb 0.05 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3a1j s LEU 113 CO -0.11 -0.26 0.37 -0.89 -1.32 0.00 0.00 176.35 174.15 3a1j s THR 114 N 1.50 5.20 -0.21 3.68 2.01 -0.07 -0.81 115.64 126.94 3a1j s THR 114 Ca 0.02 0.63 -0.04 0.00 0.31 0.00 0.00 61.69 62.61 3a1j s THR 114 Cb -0.18 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 3a1j s THR 114 CO 0.04 0.23 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.46 3a1j s VAL 115 N 1.54 3.39 -0.24 3.82 1.01 0.01 -1.24 120.40 128.69 3a1j s VAL 115 Ca 0.17 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 3a1j s VAL 115 Cb -0.15 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.70 3a1j s VAL 115 CO 0.08 0.43 -0.02 -0.44 0.00 0.00 0.00 175.10 175.15 3a1j s SER 116 N 1.33 4.46 -0.34 3.32 0.01 0.20 -1.24 113.70 121.45 3a1j s SER 116 Ca 0.04 -0.55 -0.11 0.00 1.31 0.00 0.00 55.95 56.65 3a1j s SER 116 Cb -0.14 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.34 3a1j s SER 116 CO -0.02 -0.07 0.19 -0.69 0.41 0.00 0.00 173.24 173.05 3a1j s VAL 117 N 1.45 4.73 -0.51 3.43 1.01 0.11 -1.32 120.40 129.31 3a1j s VAL 117 Ca 0.04 -0.51 -0.23 0.00 0.00 0.00 0.00 61.98 61.28 3a1j s VAL 117 Cb -0.15 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.78 3a1j s VAL 117 CO -0.02 -0.04 0.83 -0.70 0.00 0.00 0.00 175.10 175.17 3a1j s GLU 118 N 1.62 3.32 0.62 2.72 2.12 -0.53 -1.18 118.70 127.39 3a1j s GLU 118 Ca 0.04 -0.31 -0.17 0.00 0.36 0.00 0.00 54.97 54.89 3a1j s GLU 118 Cb -0.18 -4.02 -0.02 0.00 0.26 0.00 0.00 34.13 30.17 3a1j s GLU 118 CO 0.07 -1.31 1.11 -0.51 -0.54 0.00 0.00 175.26 174.08 3a1j s LEU 119 N 3.50 3.52 0.38 2.70 1.43 -0.12 -0.26 118.68 129.82 3a1j s LEU 119 Ca 0.28 2.05 -0.27 0.00 -1.03 0.00 0.00 54.13 55.15 3a1j s LEU 119 Cb -0.13 -4.56 -0.11 0.00 0.03 0.00 0.00 46.19 41.42 3a1j s LEU 119 CO 0.19 -1.47 1.42 0.18 0.23 0.00 0.00 176.35 176.90 3a1j n LEU 120 N -2.02 4.51 0.00 1.79 4.32 -0.37 -4.34 117.00 120.89 3a1j n LEU 120 Ca 0.11 1.20 0.00 0.00 -0.02 0.00 0.00 56.01 57.30 3a1j n LEU 120 Cb 0.52 -1.58 0.00 0.00 -1.62 0.00 0.00 43.42 40.73 3a1j n LEU 120 CO 0.46 -0.07 0.00 -0.24 -1.22 0.00 0.00 177.39 176.32 3a1j n SER 121 N 0.42 0.00 0.00 -1.43 2.88 -1.26 -4.77 113.62 109.46 3a1j n SER 121 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 3a1j n SER 121 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 3a1j n SER 121 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3a1j n SER 123 N 0.00 0.00 0.16 -3.46 3.41 -1.26 -5.05 113.62 107.43 3a1j n SER 123 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 3a1j n SER 123 Cb 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 3a1j n SER 123 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3a1j h SER 124 N 0.00 0.00 -3.65 4.04 0.02 -2.04 -3.42 113.55 108.49 3a1j h SER 124 Ca 0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 3a1j h SER 124 Cb 0.00 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.26 3a1j h SER 124 CO 0.00 0.26 -0.62 -0.94 -1.14 0.00 0.00 176.83 174.39 3a1j s SER 125 N -6.21 5.18 0.21 3.07 1.04 -1.26 -5.09 113.70 110.64 3a1j s SER 125 Ca 0.04 -1.02 0.01 0.00 0.48 0.00 0.00 55.95 55.46 3a1j s SER 125 Cb 0.07 -1.85 -0.04 0.00 0.10 0.00 0.00 66.02 64.30 3a1j s SER 125 CO 0.72 -0.28 0.38 -0.94 0.98 0.00 0.00 173.24 174.11 3a1j s SER 126 N 1.41 6.36 0.40 7.02 1.04 -1.26 -4.98 113.70 123.69 3a1j s SER 126 Ca -0.01 0.31 -0.24 0.00 0.48 0.00 0.00 55.95 56.48 3a1j s SER 126 Cb -0.19 -1.97 -0.09 0.00 0.10 0.00 0.00 66.02 63.88 3a1j s SER 126 CO 0.02 -0.06 1.09 -0.13 0.98 0.00 0.00 173.24 175.14 3a1j s ARG 127 N -3.53 4.12 -0.09 4.02 0.52 -1.26 -4.87 118.95 117.87 3a1j s ARG 127 Ca 0.37 1.63 0.03 0.00 -0.52 0.00 0.00 55.73 57.24 3a1j s ARG 127 Cb -0.11 -2.60 0.01 0.00 0.52 0.00 0.00 34.95 32.77 3a1j s ARG 127 CO 0.30 -0.20 -0.18 0.42 0.02 0.00 0.00 175.30 175.66 3a1j s ILE 128 N -1.56 1.60 -0.25 1.52 -1.09 -1.26 -0.95 121.20 119.21 3a1j s ILE 128 Ca 0.57 -0.74 -0.07 0.00 -2.23 0.00 0.00 60.65 58.19 3a1j s ILE 128 Cb -0.25 -1.42 -0.03 0.00 -1.58 0.00 0.00 42.46 39.18 3a1j s ILE 128 CO 0.32 0.46 0.06 -0.69 -1.23 0.00 0.00 174.94 173.86 3a1j s VAL 129 N 0.63 4.24 -0.07 2.92 1.01 -0.33 -4.95 120.40 123.84 3a1j s VAL 129 Ca -0.14 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3a1j s VAL 129 Cb -0.16 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 3a1j s VAL 129 CO 0.04 0.34 -0.18 -0.89 0.00 0.00 0.00 175.10 174.42 3a1j s THR 130 N 1.60 2.72 -0.08 3.92 2.01 -1.26 0.07 115.64 124.63 3a1j s THR 130 Ca 0.06 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.25 3a1j s THR 130 Cb -0.15 -2.06 0.02 0.00 0.01 0.00 0.00 72.50 70.31 3a1j s THR 130 CO 0.03 0.57 -0.11 -1.00 -0.69 0.00 0.00 174.62 173.42 3a1j s HIS 131 N -0.25 1.43 -0.48 4.92 3.76 -0.37 -4.99 115.29 119.30 3a1j s HIS 131 Ca 0.01 -0.58 -0.11 0.00 -0.15 0.00 0.00 55.06 54.23 3a1j s HIS 131 Cb -0.13 -1.09 0.11 0.00 1.11 0.00 0.00 32.58 32.58 3a1j s HIS 131 CO 0.03 -0.33 0.36 -0.51 -0.85 0.00 0.00 174.74 173.44 3a1j s ASP 132 N 0.93 5.81 -0.35 1.40 1.01 -1.26 -0.80 116.67 123.40 3a1j s ASP 132 Ca -0.10 -1.79 -0.23 0.00 0.71 0.00 0.00 52.55 51.14 3a1j s ASP 132 Cb -0.15 -2.05 0.01 0.00 1.01 0.00 0.00 42.92 41.73 3a1j s ASP 132 CO 0.01 -0.70 0.79 -0.63 0.21 0.00 0.00 175.17 174.84 3a1j s ILE 133 N 1.43 4.74 0.12 0.77 1.01 0.01 -4.88 121.20 124.40 3a1j s ILE 133 Ca 0.05 0.96 -0.31 0.00 0.00 0.00 0.00 60.65 61.34 3a1j s ILE 133 Cb -0.26 -4.20 -0.09 0.00 0.01 0.00 0.00 42.46 37.91 3a1j s ILE 133 CO 0.01 -0.39 1.67 -2.84 0.00 0.00 0.00 174.94 173.39 3a1j s PRO 134 N 3.08 4.18 0.16 2.79 0.02 -1.26 0.41 135.00 144.37 3a1j s PRO 134 Ca 0.32 2.42 0.06 0.00 0.02 0.00 0.00 61.00 63.82 3a1j s PRO 134 Cb -0.13 -3.44 -0.04 0.00 0.02 0.00 0.00 34.50 30.91 3a1j s PRO 134 CO 0.16 -0.72 -0.13 0.96 -0.33 0.00 0.00 177.00 176.93 3a1j s ILE 135 N 2.15 1.43 -0.19 2.83 -4.36 -0.94 -4.59 121.20 117.54 3a1j s ILE 135 Ca 0.74 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 59.17 3a1j s ILE 135 Cb -0.43 -1.80 0.02 0.00 1.25 0.00 0.00 42.46 41.51 3a1j s ILE 135 CO 0.33 -0.56 -0.19 -0.75 0.24 0.00 0.00 174.94 174.00 3a1j s LYS 136 N -3.29 2.94 0.08 0.37 2.20 -0.67 -4.67 119.74 116.71 3a1j s LYS 136 Ca 0.16 -0.86 -0.31 0.00 -0.36 0.00 0.00 55.97 54.60 3a1j s LYS 136 Cb -0.02 -2.59 -0.06 0.00 -1.51 0.00 0.00 37.83 33.65 3a1j s LYS 136 CO 0.04 -0.23 1.21 0.08 -0.36 0.00 0.00 175.35 176.08 3a1j s VAL 137 N 1.28 3.91 -0.24 4.02 1.01 -1.26 -0.70 120.40 128.42 3a1j s VAL 137 Ca 0.04 1.41 -0.15 0.00 0.00 0.00 0.00 61.98 63.28 3a1j s VAL 137 Cb -0.13 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 3a1j s VAL 137 CO -0.12 0.13 0.37 -0.63 0.00 0.00 0.00 175.10 174.85 3a1j s ILE 138 N 0.88 5.19 0.40 2.22 -1.09 0.14 -4.95 121.20 124.00 3a1j s ILE 138 Ca 0.58 0.61 -0.26 0.00 -2.23 0.00 0.00 60.65 59.35 3a1j s ILE 138 Cb -0.30 -3.70 -0.09 0.00 -1.58 0.00 0.00 42.46 36.79 3a1j s ILE 138 CO 0.30 0.21 1.25 -2.16 -1.23 0.00 0.00 174.94 173.31 3a1j s PRO 139 N 1.70 4.03 0.43 2.79 0.04 -1.26 -4.50 135.00 138.24 3a1j s PRO 139 Ca 0.16 2.04 0.30 0.00 0.04 0.00 0.00 61.00 63.54 3a1j s PRO 139 Cb -0.15 -2.76 1.43 0.00 0.04 0.00 0.00 34.50 33.06 3a1j s PRO 139 CO 0.09 -0.40 1.62 -0.09 0.04 0.00 0.00 177.00 178.25 3a1j h ARG 140 N 2.73 0.07 -0.03 4.56 2.43 -1.99 0.29 114.38 122.44 3a1j h ARG 140 Ca -0.49 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 3a1j h ARG 140 Cb 1.24 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3a1j h ARG 140 CO 0.63 0.05 -0.00 1.57 -1.51 0.00 0.00 179.97 180.70 3a1j h LYS 141 N 0.08 0.05 -0.00 0.20 2.10 -2.05 -1.87 116.57 115.07 3a1j h LYS 141 Ca 0.83 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.48 3a1j h LYS 141 Cb 2.59 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.91 3a1j h LYS 141 CO -0.44 0.06 -0.30 1.28 -2.00 0.00 0.00 179.45 178.05 3a1j n LEU 142 N -4.50 0.72 0.31 7.07 4.77 0.10 -4.11 117.00 121.36 3a1j n LEU 142 Ca -0.02 -0.10 0.17 0.00 -0.03 0.00 0.00 56.01 56.03 3a1j n LEU 142 Cb 0.11 -0.19 0.98 0.00 -2.33 0.00 0.00 43.42 41.99 3a1j n LEU 142 CO 0.34 0.14 1.13 -0.50 -1.33 0.00 0.00 177.39 177.18 3a1j h TRP 143 N 0.66 0.00 -0.27 -1.77 4.06 -1.35 -2.42 115.95 114.86 3a1j h TRP 143 Ca 0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 3a1j h TRP 143 Cb 0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.63 3a1j h TRP 143 CO 0.00 0.01 0.06 0.87 -3.56 0.00 0.00 178.44 175.82 3a1j h LYS 144 N 0.00 0.39 -0.95 0.49 1.79 -1.76 -1.80 116.57 114.74 3a1j h LYS 144 Ca -0.00 -0.05 -0.25 0.00 -2.18 0.00 0.00 60.65 58.16 3a1j h LYS 144 Cb 0.04 -0.07 -0.15 0.00 -1.58 0.00 0.00 32.23 30.47 3a1j h LYS 144 CO 0.00 0.37 0.32 -0.25 -1.08 0.00 0.00 179.45 178.81 3a1j n ASP 145 N -4.38 3.55 -2.34 0.86 8.00 -0.91 -3.88 116.55 117.46 3a1j n ASP 145 Ca 0.01 -2.90 0.01 0.00 0.71 0.00 0.00 54.79 52.62 3a1j n ASP 145 Cb 0.17 -0.69 0.04 0.00 -0.02 0.00 0.00 41.12 40.62 3a1j n ASP 145 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3a1j n LEU 146 N -0.33 1.20 -4.74 0.64 4.77 -0.67 -4.80 117.00 113.07 3a1j n LEU 146 Ca 0.33 -2.66 -0.32 0.00 -0.03 0.00 0.00 56.01 53.32 3a1j n LEU 146 Cb 1.14 0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 42.45 3a1j n LEU 146 CO 0.34 0.89 -0.28 -1.10 -1.33 0.00 0.00 177.39 175.91 3a1j s GLN 147 N -2.29 2.89 0.09 3.23 -1.52 -1.25 -5.06 119.66 115.75 3a1j s GLN 147 Ca 0.28 -0.61 -0.31 0.00 -1.95 0.00 0.00 55.36 52.77 3a1j s GLN 147 Cb 0.34 -2.74 -0.08 0.00 -0.22 0.00 0.00 33.01 30.31 3a1j s GLN 147 CO -0.09 0.61 1.58 -1.83 -0.25 0.00 0.00 175.29 175.32 3a1j s GLU 148 N -1.91 4.22 0.44 2.91 -1.05 -1.26 -4.93 118.70 117.12 3a1j s GLU 148 Ca 0.24 2.27 -0.22 0.00 -0.15 0.00 0.00 54.97 57.12 3a1j s GLU 148 Cb -0.12 -3.47 -0.12 0.00 -0.44 0.00 0.00 34.13 29.98 3a1j s GLU 148 CO 0.15 -0.66 0.51 -2.30 0.95 0.00 0.00 175.26 173.91 3a1j n PRO 149 N 5.07 0.54 -2.45 -4.83 -0.02 -1.26 -4.93 135.00 127.12 3a1j n PRO 149 Ca 0.15 0.20 -0.40 0.00 -2.02 0.00 0.00 63.50 61.42 3a1j n PRO 149 Cb 0.41 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.34 3a1j n PRO 149 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3a1j s VAL 150 N -1.52 3.50 -0.77 -1.45 0.11 -1.26 -4.99 120.40 114.02 3a1j s VAL 150 Ca 0.63 1.45 -0.16 0.00 -2.93 0.00 0.00 61.98 60.98 3a1j s VAL 150 Cb -0.58 -3.93 0.18 0.00 -1.53 0.00 0.00 36.38 30.52 3a1j s VAL 150 CO 0.58 0.32 0.77 0.68 -3.33 0.00 0.00 175.10 174.12 3a1j s VAL 151 N -0.93 5.32 0.33 2.04 -7.23 -1.26 -5.04 120.40 113.63 3a1j s VAL 151 Ca 0.46 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.35 3a1j s VAL 151 Cb -0.32 -4.50 -0.10 0.00 0.56 0.00 0.00 36.38 32.02 3a1j s VAL 151 CO 0.40 -1.09 1.39 -2.16 -0.31 0.00 0.00 175.10 173.34 3a1j s PRO 152 N 1.09 4.26 0.08 4.82 0.04 -1.26 -4.84 135.00 139.19 3a1j s PRO 152 Ca 0.17 2.35 -0.37 0.00 0.04 0.00 0.00 61.00 63.19 3a1j s PRO 152 Cb -0.14 -3.04 -0.17 0.00 0.04 0.00 0.00 34.50 31.18 3a1j s PRO 152 CO -0.05 -0.34 1.30 -0.25 0.04 0.00 0.00 177.00 177.69 3a1j n ASP 153 N 0.98 1.44 -4.73 6.66 8.00 -1.26 -4.89 116.55 122.75 3a1j n ASP 153 Ca 0.02 1.12 -0.41 0.00 0.71 0.00 0.00 54.79 56.23 3a1j n ASP 153 Cb 0.41 -1.16 -0.04 0.00 -0.02 0.00 0.00 41.12 40.31 3a1j n ASP 153 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3a1j s PRO 154 N 0.38 4.52 0.20 -0.24 0.04 -1.26 -4.90 135.00 133.74 3a1j s PRO 154 Ca 0.85 1.77 -0.10 0.00 0.04 0.00 0.00 61.00 63.55 3a1j s PRO 154 Cb -0.98 -3.29 0.13 0.00 0.04 0.00 0.00 34.50 30.40 3a1j s PRO 154 CO 0.48 -0.06 1.82 -0.44 0.04 0.00 0.00 177.00 178.84 3a1j h ASP 155 N 5.62 0.88 -3.76 6.66 3.32 -1.21 -3.42 116.42 124.50 3a1j h ASP 155 Ca -0.44 -0.08 -0.35 0.00 0.02 0.00 0.00 57.03 56.18 3a1j h ASP 155 Cb 1.21 -0.22 -0.30 0.00 0.22 0.00 0.00 39.33 40.24 3a1j h ASP 155 CO 0.75 0.71 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.54 3a1j s VAL 156 N -5.89 0.42 -0.17 -1.35 1.01 -1.10 -5.02 120.40 108.30 3a1j s VAL 156 Ca -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3a1j s VAL 156 Cb 0.14 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 36.16 3a1j s VAL 156 CO 0.79 0.15 -0.10 -0.55 0.00 0.00 0.00 175.10 175.39 3a1j s SER 157 N 0.24 2.96 0.05 3.32 0.15 -1.26 -0.75 113.70 118.41 3a1j s SER 157 Ca -0.03 -0.68 0.04 0.00 0.70 0.00 0.00 55.95 55.99 3a1j s SER 157 Cb -0.06 -1.10 -0.02 0.00 -1.71 0.00 0.00 66.02 63.12 3a1j s SER 157 CO -0.00 -0.13 -0.12 -0.51 1.20 0.00 0.00 173.24 173.68 3a1j s ILE 158 N 1.51 0.91 0.25 6.45 2.07 0.35 -4.18 121.20 128.56 3a1j s ILE 158 Ca 0.01 -1.05 -0.30 0.00 -1.41 0.00 0.00 60.65 57.91 3a1j s ILE 158 Cb -0.15 -0.87 -0.09 0.00 0.13 0.00 0.00 42.46 41.48 3a1j s ILE 158 CO -0.09 -0.15 1.27 -0.31 -1.91 0.00 0.00 174.94 173.75 3a1j s TYR 159 N -1.05 3.25 0.55 3.50 2.02 -0.91 -0.62 117.35 124.09 3a1j s TYR 159 Ca -0.02 1.36 -0.15 0.00 -0.37 0.00 0.00 57.07 57.88 3a1j s TYR 159 Cb -0.09 -3.57 -0.07 0.00 -0.40 0.00 0.00 41.96 37.84 3a1j s TYR 159 CO 0.01 -1.64 1.00 -0.51 -1.57 0.00 0.00 175.55 172.85 3a1j s LEU 160 N -0.83 3.53 0.93 -1.29 1.43 -0.78 -4.77 118.68 116.90 3a1j s LEU 160 Ca 0.52 1.57 -0.13 0.00 -1.03 0.00 0.00 54.13 55.07 3a1j s LEU 160 Cb -0.37 -4.50 0.21 0.00 0.03 0.00 0.00 46.19 41.56 3a1j s LEU 160 CO 0.43 -0.72 1.27 -2.16 0.23 0.00 0.00 176.35 175.40 3a1j s PRO 161 N -4.29 0.63 -0.16 1.29 0.04 -1.26 -4.93 135.00 126.33 3a1j s PRO 161 Ca 0.59 -0.72 -0.36 0.00 0.04 0.00 0.00 61.00 60.55 3a1j s PRO 161 Cb -0.11 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 3a1j s PRO 161 CO 0.36 -2.35 1.85 0.28 0.04 0.00 0.00 177.00 177.19 3a1j n VAL 162 N -3.63 0.50 -0.34 -0.36 0.31 -1.26 -4.86 118.33 108.70 3a1j n VAL 162 Ca 0.17 -0.09 -0.01 0.00 -0.01 0.00 0.00 64.34 64.40 3a1j n VAL 162 Cb 0.59 -1.68 0.15 0.00 -0.91 0.00 0.00 33.84 32.00 3a1j n VAL 162 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3a1j h LEU 163 N 8.69 1.07 -0.78 7.52 3.38 -1.96 -2.48 115.31 130.75 3a1j h LEU 163 Ca -0.48 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 57.54 3a1j h LEU 163 Cb 1.29 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 3a1j h LEU 163 CO 0.96 0.76 0.45 0.11 0.09 0.00 0.00 178.44 180.81 3a1j h LYS 164 N 1.25 0.78 -1.08 1.13 1.57 -1.94 0.15 116.57 118.43 3a1j h LYS 164 Ca 0.35 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3a1j h LYS 164 Cb -0.11 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.03 3a1j h LYS 164 CO -0.09 0.52 0.00 2.41 -0.57 0.00 0.00 179.45 181.72 3a1j n THR 165 N -4.72 0.15 0.00 -0.16 -1.04 -0.93 -1.79 114.28 105.78 3a1j n THR 165 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 3a1j n THR 165 Cb 0.21 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 3a1j n THR 165 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3a1j n LYS 167 N 0.64 0.00 -0.08 -2.82 4.81 0.52 -2.10 118.16 119.13 3a1j n LYS 167 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 3a1j n LYS 167 Cb 0.10 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.16 3a1j n LYS 167 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 3a1j h SER 168 N 0.00 -0.06 0.01 3.14 0.02 -1.61 0.14 113.55 115.18 3a1j h SER 168 Ca 0.00 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3a1j h SER 168 Cb 0.00 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3a1j h SER 168 CO 0.00 0.00 -0.00 0.58 -1.14 0.00 0.00 176.83 176.27 3a1j h VAL 169 N 0.12 1.09 0.00 2.27 2.07 -1.71 -2.23 116.25 117.87 3a1j h VAL 169 Ca 0.14 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 3a1j h VAL 169 Cb 0.18 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3a1j h VAL 169 CO -0.22 0.08 -0.25 -0.37 0.02 0.00 0.00 177.57 176.83 3a1j h VAL 170 N -0.14 0.69 0.46 2.57 -1.51 -1.80 -2.86 116.25 113.65 3a1j h VAL 170 Ca -0.00 -1.08 -0.02 0.00 -1.23 0.00 0.00 66.70 64.37 3a1j h VAL 170 Cb 0.14 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 3a1j h VAL 170 CO 0.00 0.24 -0.28 -0.08 -1.23 0.00 0.00 177.57 176.22 3a1j h GLU 171 N 0.00 -0.68 -1.74 5.19 4.81 -0.43 -0.63 114.58 121.09 3a1j h GLU 171 Ca -0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3a1j h GLU 171 Cb 0.67 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.21 3a1j h GLU 171 CO 0.03 -0.46 0.00 1.63 -0.73 0.00 0.00 179.01 179.49 3a1j n LYS 172 N -5.42 0.36 0.00 1.92 4.76 -0.87 -3.29 118.16 115.63 3a1j n LYS 172 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 3a1j n LYS 172 Cb 0.32 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 3a1j n LYS 172 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3a1j n LYS 174 N 1.10 0.00 0.19 1.97 4.81 -0.25 -3.53 118.16 122.46 3a1j n LYS 174 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 3a1j n LYS 174 Cb 0.18 0.00 0.56 0.00 0.02 0.00 0.00 35.03 35.79 3a1j n LYS 174 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3a1j h ASN 175 N 0.00 0.00 0.00 3.14 2.35 -1.82 -3.21 115.58 116.04 3a1j h ASN 175 Ca 0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.41 3a1j h ASN 175 Cb 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 3a1j h ASN 175 CO 0.00 0.00 -2.27 -0.38 -1.65 0.00 0.00 177.43 173.13 3a1j n ILE 176 N -2.61 1.28 -3.44 2.81 2.08 -1.23 -5.06 119.36 113.19 3a1j n ILE 176 Ca 0.02 -0.70 -0.11 0.00 0.56 0.00 0.00 62.75 62.52 3a1j n ILE 176 Cb 0.28 -0.75 -0.02 0.00 -0.75 0.00 0.00 39.64 38.39 3a1j n ILE 176 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 3a1j s SER 177 N -5.54 -0.53 0.00 4.38 0.15 -1.21 -5.00 113.70 105.95 3a1j s SER 177 Ca -0.16 0.01 0.16 0.00 0.70 0.00 0.00 55.95 56.66 3a1j s SER 177 Cb 0.06 0.55 0.12 0.00 -1.71 0.00 0.00 66.02 65.04 3a1j s SER 177 CO 0.69 -0.89 0.98 -0.46 1.20 0.00 0.00 173.24 174.76 3a1j n ASN 178 N -0.33 2.26 -4.83 5.45 0.23 -1.26 -3.89 115.26 112.89 3a1j n ASN 178 Ca -0.15 -1.63 -0.37 0.00 -0.53 0.00 0.00 54.58 51.90 3a1j n ASN 178 Cb 0.64 0.02 -0.07 0.00 -2.08 0.00 0.00 39.78 38.30 3a1j n ASN 178 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 3a1j s HIS 179 N -1.32 3.56 -0.04 -2.53 3.76 -1.26 -0.30 115.29 117.16 3a1j s HIS 179 Ca 0.18 0.53 -0.03 0.00 -0.15 0.00 0.00 55.06 55.59 3a1j s HIS 179 Cb 0.13 -2.06 0.01 0.00 1.11 0.00 0.00 32.58 31.77 3a1j s HIS 179 CO 0.20 0.58 0.10 -1.17 -0.85 0.00 0.00 174.74 173.60 3a1j s LEU 180 N -0.58 1.62 -0.17 0.89 0.20 -0.34 -4.70 118.68 115.60 3a1j s LEU 180 Ca 0.14 0.20 -0.03 0.00 0.69 0.00 0.00 54.13 55.13 3a1j s LEU 180 Cb -0.12 0.34 -0.02 0.00 -0.43 0.00 0.00 46.19 45.96 3a1j s LEU 180 CO 0.03 -0.04 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.32 3a1j s VAL 181 N 0.05 3.67 -0.12 1.68 1.01 -0.04 0.43 120.40 127.09 3a1j s VAL 181 Ca -0.00 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3a1j s VAL 181 Cb -0.01 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 3a1j s VAL 181 CO 0.00 0.48 -0.20 -0.51 0.00 0.00 0.00 175.10 174.87 3a1j s ILE 182 N 0.60 2.40 0.04 2.22 2.07 -0.95 -0.85 121.20 126.73 3a1j s ILE 182 Ca -0.03 -0.89 0.01 0.00 -1.41 0.00 0.00 60.65 58.33 3a1j s ILE 182 Cb -0.15 -1.96 -0.02 0.00 0.13 0.00 0.00 42.46 40.46 3a1j s ILE 182 CO 0.03 0.54 -0.06 -1.83 -1.91 0.00 0.00 174.94 171.71 3a1j s GLU 183 N 0.42 0.47 0.21 3.50 -1.05 -0.69 -2.23 118.70 119.33 3a1j s GLU 183 Ca -0.15 -0.76 -0.19 0.00 -0.15 0.00 0.00 54.97 53.73 3a1j s GLU 183 Cb -0.17 -0.11 0.03 0.00 -0.44 0.00 0.00 34.13 33.44 3a1j s GLU 183 CO 0.06 0.00 0.57 0.00 0.95 0.00 0.00 175.26 176.85 3a1j s ALA 184 N -1.67 -1.06 0.24 -0.84 0.00 -0.85 -0.40 121.76 117.19 3a1j s ALA 184 Ca -0.10 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.74 3a1j s ALA 184 Cb -0.08 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 3a1j s ALA 184 CO -0.01 -0.85 0.20 0.27 0.00 0.00 0.00 175.76 175.37 3a1j n ASN 185 N -0.37 -0.44 -0.27 0.00 0.23 -0.80 -1.26 115.26 112.34 3a1j n ASN 185 Ca -0.09 -2.60 0.09 0.00 -0.53 0.00 0.00 54.58 51.45 3a1j n ASN 185 Cb 0.62 1.20 0.43 0.00 -2.08 0.00 0.00 39.78 39.95 3a1j n ASN 185 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3a1j n LEU 186 N 0.00 0.81 -1.58 -4.53 7.99 -1.26 -3.45 117.00 114.98 3a1j n LEU 186 Ca 0.05 -0.35 0.09 0.00 -0.01 0.00 0.00 56.01 55.79 3a1j n LEU 186 Cb 0.44 -0.06 0.35 0.00 -0.11 0.00 0.00 43.42 44.04 3a1j n LEU 186 CO 0.23 0.17 0.80 -0.67 -1.51 0.00 0.00 177.39 176.41 3a1j n ASP 187 N -0.23 4.69 -0.38 -1.43 4.64 -1.26 -4.83 116.55 117.75 3a1j n ASP 187 Ca 0.14 -2.48 -0.05 0.00 -1.38 0.00 0.00 54.79 51.02 3a1j n ASP 187 Cb 0.19 -0.58 -0.02 0.00 -1.04 0.00 0.00 41.12 39.67 3a1j n ASP 187 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3a1j n GLY 188 N 1.05 0.69 3.55 0.27 0.00 -1.22 -4.63 105.19 104.90 3a1j n GLY 188 Ca 0.25 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 3a1j n GLY 188 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a1j s GLU 189 N -2.58 2.96 -0.02 1.61 2.02 -1.26 -1.65 118.70 119.78 3a1j s GLU 189 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.44 3a1j s GLU 189 Cb 0.00 -2.65 0.02 0.00 0.10 0.00 0.00 34.13 31.60 3a1j s GLU 189 CO 0.00 0.56 0.01 -1.17 0.02 0.00 0.00 175.26 174.67 3a1j s LEU 190 N -0.51 1.28 0.04 1.80 0.20 -0.21 -1.90 118.68 119.38 3a1j s LEU 190 Ca 0.08 -0.00 0.08 0.00 0.69 0.00 0.00 54.13 54.97 3a1j s LEU 190 Cb -0.12 -0.14 -0.03 0.00 -0.43 0.00 0.00 46.19 45.48 3a1j s LEU 190 CO 0.02 -0.09 -0.23 0.20 -0.29 0.00 0.00 176.35 175.96 3a1j s ASN 191 N 0.85 2.74 -0.12 3.68 0.01 0.47 -0.34 114.94 122.23 3a1j s ASN 191 Ca -0.08 -0.54 -0.00 0.00 -0.71 0.00 0.00 52.86 51.53 3a1j s ASN 191 Cb -0.11 -0.24 -0.02 0.00 0.41 0.00 0.00 41.25 41.28 3a1j s ASN 191 CO -0.02 0.21 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.91 3a1j s LEU 192 N -1.14 2.89 -0.05 0.60 1.43 -0.69 -1.71 118.68 120.02 3a1j s LEU 192 Ca 0.09 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3a1j s LEU 192 Cb -0.09 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.50 3a1j s LEU 192 CO 0.02 0.22 0.12 -0.75 0.23 0.00 0.00 176.35 176.18 3a1j s LYS 193 N 0.06 0.10 -0.02 1.70 2.20 -0.03 -0.97 119.74 122.78 3a1j s LYS 193 Ca -0.04 0.24 0.04 0.00 -0.36 0.00 0.00 55.97 55.85 3a1j s LYS 193 Cb -0.14 -0.06 -0.01 0.00 -1.51 0.00 0.00 37.83 36.11 3a1j s LYS 193 CO 0.04 -0.08 -0.14 0.96 -0.36 0.00 0.00 175.35 175.76 3a1j s ILE 194 N 0.57 1.15 -0.09 5.43 -4.36 -0.61 -0.86 121.20 122.42 3a1j s ILE 194 Ca -0.04 -0.61 -0.01 0.00 -0.26 0.00 0.00 60.65 59.73 3a1j s ILE 194 Cb -0.06 -0.96 0.03 0.00 1.25 0.00 0.00 42.46 42.72 3a1j s ILE 194 CO -0.02 0.33 -0.02 -1.61 0.24 0.00 0.00 174.94 173.85 3a1j s GLU 195 N -0.26 0.88 0.36 0.37 2.02 -1.26 -1.84 118.70 118.98 3a1j s GLU 195 Ca 0.04 -0.03 0.04 0.00 0.02 0.00 0.00 54.97 55.03 3a1j s GLU 195 Cb -0.06 -1.22 -0.05 0.00 0.10 0.00 0.00 34.13 32.89 3a1j s GLU 195 CO -0.00 -0.31 0.07 0.95 0.02 0.00 0.00 175.26 175.99 3a1j s THR 196 N 1.89 1.04 0.12 3.63 -4.23 -0.70 -5.03 115.64 112.36 3a1j s THR 196 Ca 0.05 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.36 3a1j s THR 196 Cb -0.13 -2.63 -0.06 0.00 1.34 0.00 0.00 72.50 71.02 3a1j s THR 196 CO -0.06 0.00 1.78 -0.08 -0.54 0.00 0.00 174.62 175.72 3a1j h GLU 197 N 1.96 0.27 -0.02 3.99 4.81 -2.00 -3.23 114.58 120.36 3a1j h GLU 197 Ca -0.39 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 3a1j h GLU 197 Cb 1.26 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3a1j h GLU 197 CO 0.67 0.18 -0.05 1.28 -0.73 0.00 0.00 179.01 180.36 3a1j n LEU 198 N -4.95 2.26 -3.64 1.64 4.77 -1.26 -4.95 117.00 110.88 3a1j n LEU 198 Ca -0.03 -0.76 -0.08 0.00 -0.03 0.00 0.00 56.01 55.12 3a1j n LEU 198 Cb 0.03 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 3a1j n LEU 198 CO 0.34 0.38 0.65 0.54 -1.33 0.00 0.00 177.39 177.97 3a1j s VAL 199 N -2.06 0.00 0.05 4.08 0.11 -1.22 -5.16 120.40 116.20 3a1j s VAL 199 Ca 0.31 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.43 3a1j s VAL 199 Cb 0.20 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 3a1j s VAL 199 CO 0.34 0.00 -0.21 0.00 -3.33 0.00 0.00 175.10 171.91 3a1j s VAL 201 N -0.81 -0.04 -0.06 0.00 1.01 -0.77 -5.03 120.40 114.69 3a1j s VAL 201 Ca 0.07 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3a1j s VAL 201 Cb -0.09 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.08 3a1j s VAL 201 CO 0.02 0.06 -0.04 -0.89 0.00 0.00 0.00 175.10 174.26 3a1j s THR 202 N 1.03 0.57 -0.22 3.92 2.01 -1.26 -1.57 115.64 120.13 3a1j s THR 202 Ca -0.08 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 61.79 3a1j s THR 202 Cb -0.10 -0.64 -0.02 0.00 0.01 0.00 0.00 72.50 71.75 3a1j s THR 202 CO -0.05 0.26 0.01 -0.89 -0.69 0.00 0.00 174.62 173.26 3a1j s THR 203 N 1.37 3.94 -0.35 -0.82 2.01 -0.14 -4.97 115.64 116.68 3a1j s THR 203 Ca -0.04 -0.31 -0.14 0.00 0.31 0.00 0.00 61.69 61.51 3a1j s THR 203 Cb -0.13 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 69.56 3a1j s THR 203 CO -0.03 0.40 0.30 -1.00 -0.69 0.00 0.00 174.62 173.61 3a1j s HIS 204 N 1.24 3.22 -0.12 4.92 3.76 -1.26 -1.71 115.29 125.35 3a1j s HIS 204 Ca 0.04 -0.19 -0.04 0.00 -0.15 0.00 0.00 55.06 54.71 3a1j s HIS 204 Cb -0.15 -2.58 -0.04 0.00 1.11 0.00 0.00 32.58 30.92 3a1j s HIS 204 CO 0.01 -0.43 0.05 -0.06 -0.85 0.00 0.00 174.74 173.46 3a1j s PHE 205 N 1.85 3.30 0.24 1.40 0.08 0.53 -5.00 117.98 120.38 3a1j s PHE 205 Ca 0.08 0.25 -0.00 0.00 0.12 0.00 0.00 56.93 57.38 3a1j s PHE 205 Cb -0.17 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 3a1j s PHE 205 CO 0.11 0.47 0.21 -1.59 -0.10 0.00 0.00 175.22 174.32 3a1j s LYS 206 N -0.65 1.38 -1.47 0.44 -2.85 -1.26 -1.05 119.74 114.29 3a1j s LYS 206 Ca 0.11 -1.69 -0.06 0.00 -1.00 0.00 0.00 55.97 53.34 3a1j s LYS 206 Cb -0.12 0.31 0.03 0.00 -2.06 0.00 0.00 37.83 35.99 3a1j s LYS 206 CO 0.02 -0.49 0.56 -0.25 0.10 0.00 0.00 175.35 175.30 3a1j n ASP 207 N -0.61 -5.37 0.05 0.03 8.00 -0.87 -4.89 116.55 112.90 3a1j n ASP 207 Ca 0.03 -0.31 -0.07 0.00 0.71 0.00 0.00 54.79 55.15 3a1j n ASP 207 Cb 0.65 -4.36 -0.12 0.00 -0.02 0.00 0.00 41.12 37.27 3a1j n ASP 207 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3a1j h LEU 208 N -1.24 0.00 0.00 0.64 3.38 -1.63 -3.51 115.31 112.95 3a1j h LEU 208 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3a1j h LEU 208 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3a1j h LEU 208 CO 0.56 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.67 3a1j n GLY 209 N 1.37 -1.18 3.11 0.83 0.00 -1.26 -4.48 105.19 103.58 3a1j n GLY 209 Ca -0.02 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.31 3a1j n GLY 209 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1j s ASN 210 N -2.60 1.20 0.19 1.61 -0.87 -1.26 -2.15 114.94 111.06 3a1j s ASN 210 Ca 0.00 -0.61 -0.30 0.00 -1.57 0.00 0.00 52.86 50.38 3a1j s ASN 210 Cb 0.00 0.01 -0.08 0.00 -0.02 0.00 0.00 41.25 41.16 3a1j s ASN 210 CO 0.00 -0.17 0.94 -2.16 -2.57 0.00 0.00 177.10 173.14 3a1j s PRO 211 N -1.81 4.79 0.95 -0.60 0.04 -1.26 -4.97 135.00 132.14 3a1j s PRO 211 Ca -0.05 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 62.32 3a1j s PRO 211 Cb -0.09 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.17 3a1j s PRO 211 CO 0.01 0.41 0.40 -2.30 0.04 0.00 0.00 177.00 175.56 3a1j n PRO 212 N 1.96 -0.29 -2.25 0.56 -0.02 -1.26 -5.03 135.00 128.66 3a1j n PRO 212 Ca -0.01 -0.04 -0.02 0.00 -2.02 0.00 0.00 63.50 61.41 3a1j n PRO 212 Cb 0.48 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3a1j n PRO 212 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3a1j n LEU 213 N -1.29 -4.67 0.00 2.45 4.77 -1.26 -5.19 117.00 111.80 3a1j n LEU 213 Ca 0.07 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3a1j n LEU 213 Cb 0.54 -2.20 0.00 0.00 -2.33 0.00 0.00 43.42 39.43 3a1j n LEU 213 CO 0.51 -0.82 0.00 0.52 -1.33 0.00 0.00 177.39 176.27 3a1j n VAL 224 N -1.01 0.00 -1.26 4.08 0.31 -1.26 -5.08 118.33 114.11 3a1j n VAL 224 Ca 0.02 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.20 3a1j n VAL 224 Cb 0.40 0.00 0.20 0.00 -0.91 0.00 0.00 33.84 33.53 3a1j n VAL 224 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3a1j n GLU 225 N 0.00 2.36 0.00 5.55 -0.58 -1.26 -4.84 120.64 121.87 3a1j n GLU 225 Ca 0.00 -3.07 0.00 0.00 -0.42 0.00 0.00 57.16 53.67 3a1j n GLU 225 Cb 0.00 -2.08 0.00 0.00 -0.57 0.00 0.00 31.44 28.79 3a1j n GLU 225 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 3a1j n HIS 226 N -1.00 -0.15 -3.78 -0.32 1.44 -1.26 -4.86 115.22 105.30 3a1j n HIS 226 Ca 0.50 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 56.07 3a1j n HIS 226 Cb 1.45 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 31.42 3a1j n HIS 226 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3a1j s ALA 228 N -3.28 -0.12 0.39 1.59 0.00 -0.39 -4.76 121.76 115.19 3a1j s ALA 228 Ca 0.00 0.45 0.04 0.00 0.00 0.00 0.00 51.96 52.44 3a1j s ALA 228 Cb 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 3a1j s ALA 228 CO 0.00 -0.11 0.11 -1.83 0.00 0.00 0.00 175.76 173.93 3a1j s GLU 229 N 0.90 1.86 -0.29 0.00 -1.05 -1.26 -2.00 118.70 116.86 3a1j s GLU 229 Ca -0.07 -2.12 -0.17 0.00 -0.15 0.00 0.00 54.97 52.47 3a1j s GLU 229 Cb -0.10 -0.68 0.15 0.00 -0.44 0.00 0.00 34.13 33.07 3a1j s GLU 229 CO -0.04 -0.41 1.02 0.54 0.95 0.00 0.00 175.26 177.33 3a1j s VAL 230 N -3.24 0.00 -0.06 1.83 0.11 -0.95 0.21 120.40 118.30 3a1j s VAL 230 Ca 0.26 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.07 3a1j s VAL 230 Cb 0.04 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 3a1j s VAL 230 CO 0.14 0.00 0.75 -1.00 -3.33 0.00 0.00 175.10 171.66 3a1j s HIS 231 N 1.23 3.58 0.15 1.54 3.76 -1.26 -2.24 115.29 122.05 3a1j s HIS 231 Ca -0.08 1.32 0.00 0.00 -0.15 0.00 0.00 55.06 56.15 3a1j s HIS 231 Cb -0.03 -2.87 -0.04 0.00 1.11 0.00 0.00 32.58 30.74 3a1j s HIS 231 CO -0.14 0.05 0.03 0.96 -0.85 0.00 0.00 174.74 174.79 3a1j s ILE 232 N 0.94 0.40 -0.22 0.60 -4.36 0.17 -0.91 121.20 117.81 3a1j s ILE 232 Ca 0.40 -1.94 -0.29 0.00 -0.26 0.00 0.00 60.65 58.55 3a1j s ILE 232 Cb -0.18 -2.09 -0.01 0.00 1.25 0.00 0.00 42.46 41.43 3a1j s ILE 232 CO 0.19 -0.47 1.31 -0.62 0.24 0.00 0.00 174.94 175.60 3a1j s ASP 233 N -3.12 6.79 0.27 4.36 -1.08 -1.26 -1.20 116.67 121.44 3a1j s ASP 233 Ca 0.24 1.50 -0.03 0.00 -0.52 0.00 0.00 52.55 53.75 3a1j s ASP 233 Cb 0.07 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.36 3a1j s ASP 233 CO 0.03 -0.93 1.86 -0.29 0.52 0.00 0.00 175.17 176.36 3a1j h ILE 234 N 5.73 1.23 -0.52 4.11 2.10 -0.98 -2.34 117.51 126.84 3a1j h ILE 234 Ca -0.27 -0.68 0.12 0.00 1.08 0.00 0.00 64.86 65.11 3a1j h ILE 234 Cb 1.11 0.39 -0.03 0.00 -1.09 0.00 0.00 36.82 37.20 3a1j h ILE 234 CO 1.00 0.28 0.36 0.03 -1.08 0.00 0.00 178.15 178.74 3a1j h ARG 235 N 0.97 0.17 0.01 2.19 3.08 -1.91 0.93 114.38 119.82 3a1j h ARG 235 Ca 0.23 -0.01 -0.20 0.00 0.07 0.00 0.00 59.98 60.07 3a1j h ARG 235 Cb 0.15 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3a1j h ARG 235 CO -0.03 0.11 -0.90 0.87 -1.07 0.00 0.00 179.97 178.96 3a1j h LYS 236 N 0.18 0.21 -0.24 0.04 1.57 -1.81 -1.52 116.57 115.01 3a1j h LYS 236 Ca 0.25 -0.24 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 3a1j h LYS 236 Cb 0.73 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3a1j h LYS 236 CO -0.04 0.98 -0.61 1.25 -0.57 0.00 0.00 179.45 180.47 3a1j h LEU 237 N 0.12 0.90 -0.40 2.94 6.46 -1.00 -2.40 115.31 121.92 3a1j h LEU 237 Ca -0.05 -0.51 -0.02 0.00 -0.12 0.00 0.00 57.88 57.18 3a1j h LEU 237 Cb 1.54 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 41.19 3a1j h LEU 237 CO 0.14 1.30 0.18 0.25 -0.62 0.00 0.00 178.44 179.68 3a1j h LEU 238 N 0.59 0.54 -0.02 2.25 6.46 -0.86 -1.85 115.31 122.42 3a1j h LEU 238 Ca -0.00 -0.14 0.03 0.00 -0.12 0.00 0.00 57.88 57.65 3a1j h LEU 238 Cb 1.21 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.95 3a1j h LEU 238 CO 0.13 0.53 -0.24 -0.61 -0.62 0.00 0.00 178.44 177.62 3a1j h GLN 239 N 0.51 -0.35 -0.50 1.25 4.15 -1.19 0.52 115.11 119.49 3a1j h GLN 239 Ca 0.14 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.63 3a1j h GLN 239 Cb 0.15 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.87 3a1j h GLN 239 CO -0.01 -0.24 0.24 0.35 -1.93 0.00 0.00 178.83 177.24 3a1j h PHE 240 N -0.37 0.43 -0.33 3.99 3.57 -1.26 -1.40 116.94 121.58 3a1j h PHE 240 Ca 0.07 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.45 3a1j h PHE 240 Cb 0.46 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3a1j h PHE 240 CO -0.29 0.20 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.56 3a1j h LEU 241 N 0.46 0.80 -1.45 0.59 3.38 -0.92 -2.82 115.31 115.36 3a1j h LEU 241 Ca 0.22 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3a1j h LEU 241 Cb 0.16 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3a1j h LEU 241 CO -0.17 1.08 0.04 0.00 0.09 0.00 0.00 178.44 179.47 3a1j h ALA 242 N 0.96 1.56 -0.57 1.53 0.00 0.44 -2.68 119.26 120.50 3a1j h ALA 242 Ca 0.06 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3a1j h ALA 242 Cb 0.90 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3a1j h ALA 242 CO 0.08 0.33 -0.01 0.78 0.00 0.00 0.00 179.25 180.43 3a1j h GLY 243 N 0.66 1.08 -6.90 0.00 0.00 -1.01 -3.41 103.07 93.50 3a1j h GLY 243 Ca 0.09 -0.79 -0.57 0.00 0.00 0.00 0.00 47.33 46.07 3a1j h GLY 243 CO 0.00 0.73 1.24 1.20 0.00 0.00 0.00 176.54 179.70 3a1j s GLN 244 N -5.00 3.35 0.21 4.80 -1.52 -1.01 -4.85 119.66 115.64 3a1j s GLN 244 Ca -0.11 1.29 0.09 0.00 -1.95 0.00 0.00 55.36 54.68 3a1j s GLN 244 Cb 0.14 -4.17 0.12 0.00 -0.22 0.00 0.00 33.01 28.88 3a1j s GLN 244 CO 0.85 -1.84 1.47 0.37 -0.25 0.00 0.00 175.29 175.89 3a1j h GLN 245 N 12.53 0.00 -4.28 2.91 5.75 -1.85 -3.46 115.11 126.71 3a1j h GLN 245 Ca -0.32 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.01 3a1j h GLN 245 Cb 1.16 0.00 -0.18 0.00 1.07 0.00 0.00 27.48 29.53 3a1j h GLN 245 CO 1.05 0.77 -0.70 0.14 -2.65 0.00 0.00 178.83 177.45 3a1j s VAL 246 N -3.23 0.32 -0.20 2.39 -7.23 -1.26 -5.09 120.40 106.10 3a1j s VAL 246 Ca -0.00 -1.47 -0.29 0.00 -1.81 0.00 0.00 61.98 58.41 3a1j s VAL 246 Cb 0.11 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.96 3a1j s VAL 246 CO 0.78 -0.75 1.82 0.21 -0.31 0.00 0.00 175.10 176.86 3a1j s ASN 247 N -2.33 6.12 0.60 4.85 3.04 -1.26 -4.95 114.94 121.00 3a1j s ASN 247 Ca -0.01 1.78 -0.20 0.00 0.04 0.00 0.00 52.86 54.47 3a1j s ASN 247 Cb -0.00 -2.53 -0.03 0.00 -1.54 0.00 0.00 41.25 37.15 3a1j s ASN 247 CO -0.05 -1.45 1.32 -0.81 -3.04 0.00 0.00 177.10 173.07 3a1j n PRO 248 N 8.00 1.40 0.02 0.43 -0.04 -1.26 -4.97 135.00 138.59 3a1j n PRO 248 Ca 0.22 0.53 -0.03 0.00 -0.04 0.00 0.00 63.50 64.18 3a1j n PRO 248 Cb 0.45 -2.55 -0.02 0.00 -0.04 0.00 0.00 33.50 31.34 3a1j n PRO 248 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3a1j h THR 249 N 0.98 0.00 -3.38 0.52 2.02 -1.93 -3.39 112.91 107.73 3a1j h THR 249 Ca -0.51 0.00 -0.65 0.00 0.77 0.00 0.00 66.41 66.02 3a1j h THR 249 Cb 1.32 0.00 -0.25 0.00 -1.74 0.00 0.00 68.15 67.48 3a1j h THR 249 CO 0.55 0.00 -0.71 -0.75 0.37 0.00 0.00 175.52 174.98 3a1j s LYS 250 N -3.54 3.49 -0.19 6.66 2.20 -1.13 -5.01 119.74 122.21 3a1j s LYS 250 Ca -0.03 -0.59 -0.03 0.00 -0.36 0.00 0.00 55.97 54.96 3a1j s LYS 250 Cb 0.01 -2.95 0.06 0.00 -1.51 0.00 0.00 37.83 33.44 3a1j s LYS 250 CO 0.12 -0.01 0.04 0.00 -0.36 0.00 0.00 175.35 175.14 3a1j s ALA 251 N 0.99 0.97 -0.05 3.13 0.00 -1.26 -0.94 121.76 124.60 3a1j s ALA 251 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.35 3a1j s ALA 251 Cb -0.15 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 3a1j s ALA 251 CO 0.01 -1.14 -0.17 -0.51 0.00 0.00 0.00 175.76 173.94 3a1j s LEU 252 N 1.87 2.56 -0.21 0.00 1.43 -0.33 -1.87 118.68 122.13 3a1j s LEU 252 Ca -0.01 -0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 3a1j s LEU 252 Cb -0.17 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 3a1j s LEU 252 CO -0.08 0.31 -0.01 0.00 0.23 0.00 0.00 176.35 176.80 3a1j s ASN 254 N 1.29 3.34 -0.05 0.00 0.01 0.68 -0.50 114.94 119.71 3a1j s ASN 254 Ca 0.04 -0.60 0.03 0.00 -0.71 0.00 0.00 52.86 51.62 3a1j s ASN 254 Cb -0.15 -1.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.96 3a1j s ASN 254 CO -0.00 0.00 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.84 3a1j s ILE 255 N 1.29 3.27 -0.34 0.60 1.01 0.07 0.54 121.20 127.64 3a1j s ILE 255 Ca 0.04 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.05 3a1j s ILE 255 Cb -0.13 -2.31 0.09 0.00 0.01 0.00 0.00 42.46 40.12 3a1j s ILE 255 CO -0.11 0.58 0.06 -0.69 0.00 0.00 0.00 174.94 174.79 3a1j s VAL 256 N -0.77 2.61 -0.28 2.92 1.01 -1.26 -0.62 120.40 124.01 3a1j s VAL 256 Ca 0.12 -2.08 -0.30 0.00 0.00 0.00 0.00 61.98 59.73 3a1j s VAL 256 Cb -0.11 -2.79 -0.13 0.00 0.00 0.00 0.00 36.38 33.35 3a1j s VAL 256 CO 0.01 -0.50 0.98 -3.20 0.00 0.00 0.00 175.10 172.40 3a1j n ASN 257 N 4.40 0.67 -0.22 3.32 5.15 -1.26 0.80 115.26 128.13 3a1j n ASN 257 Ca -0.02 0.76 -0.03 0.00 -0.60 0.00 0.00 54.58 54.70 3a1j n ASN 257 Cb 0.42 -0.57 -0.01 0.00 -0.53 0.00 0.00 39.78 39.09 3a1j n ASN 257 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3a1j n ASN 258 N 2.36 -5.06 0.00 1.20 3.02 0.13 -4.96 115.26 111.96 3a1j n ASN 258 Ca 0.19 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 3a1j n ASN 258 Cb -0.03 -3.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 3a1j n ASN 258 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3a1j n LYS 259 N 0.41 3.48 -4.85 3.52 4.76 0.24 -4.78 118.16 120.93 3a1j n LYS 259 Ca -0.03 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.16 3a1j n LYS 259 Cb 0.45 -0.96 -0.16 0.00 -1.84 0.00 0.00 35.03 32.53 3a1j n LYS 259 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3a1j s VAL 261 N -1.91 1.41 -0.11 -0.18 0.11 0.01 -1.83 120.40 117.90 3a1j s VAL 261 Ca 0.00 -0.75 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 3a1j s VAL 261 Cb 0.00 -1.19 0.02 0.00 -1.53 0.00 0.00 36.38 33.69 3a1j s VAL 261 CO 0.00 0.40 -0.10 -2.28 -3.33 0.00 0.00 175.10 169.79 3a1j s HIS 262 N -0.31 1.60 -0.16 1.54 5.04 0.19 -1.23 115.29 121.96 3a1j s HIS 262 Ca 0.04 -0.78 -0.08 0.00 -1.54 0.00 0.00 55.06 52.71 3a1j s HIS 262 Cb -0.08 -1.26 -0.04 0.00 0.04 0.00 0.00 32.58 31.24 3a1j s HIS 262 CO -0.00 -0.49 0.10 -0.06 -2.34 0.00 0.00 174.74 171.96 3a1j s PHE 263 N 1.44 3.41 -0.27 3.88 0.08 0.11 -0.23 117.98 126.41 3a1j s PHE 263 Ca 0.01 0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.39 3a1j s PHE 263 Cb -0.13 -2.03 0.08 0.00 -0.57 0.00 0.00 43.02 40.37 3a1j s PHE 263 CO -0.06 0.43 0.02 0.34 -0.10 0.00 0.00 175.22 175.86 3a1j s ASP 264 N -0.25 3.94 0.02 1.36 2.15 -0.08 -1.51 116.67 122.30 3a1j s ASP 264 Ca 0.10 -1.44 0.04 0.00 0.43 0.00 0.00 52.55 51.67 3a1j s ASP 264 Cb -0.12 -1.08 -0.04 0.00 -0.30 0.00 0.00 42.92 41.39 3a1j s ASP 264 CO 0.01 -0.33 -0.05 -0.76 -0.17 0.00 0.00 175.17 173.87 3a1j s LEU 265 N 1.44 3.23 -0.34 -1.34 1.02 -0.64 -1.19 118.68 120.87 3a1j s LEU 265 Ca 0.03 -0.16 -0.01 0.00 0.02 0.00 0.00 54.13 54.01 3a1j s LEU 265 Cb -0.18 -1.88 0.13 0.00 0.02 0.00 0.00 46.19 44.27 3a1j s LEU 265 CO -0.13 0.26 0.19 -0.22 0.02 0.00 0.00 176.35 176.47 3a1j s LEU 266 N -1.62 1.07 -0.29 1.79 2.96 -0.11 -1.18 118.68 121.30 3a1j s LEU 266 Ca 0.19 -1.97 0.00 0.00 -0.22 0.00 0.00 54.13 52.14 3a1j s LEU 266 Cb -0.11 -0.46 0.06 0.00 0.50 0.00 0.00 46.19 46.18 3a1j s LEU 266 CO 0.10 -0.34 -0.03 -2.28 -1.32 0.00 0.00 176.35 172.48 3a1j s HIS 267 N 1.30 3.31 -0.80 5.38 5.65 -1.03 -2.85 115.29 126.26 3a1j s HIS 267 Ca 0.15 -2.14 -0.03 0.00 0.25 0.00 0.00 55.06 53.30 3a1j s HIS 267 Cb -0.21 -2.15 -0.03 0.00 -1.18 0.00 0.00 32.58 29.01 3a1j s HIS 267 CO -0.10 -0.85 0.72 0.39 -0.65 0.00 0.00 174.74 174.25 3a1j n GLU 268 N 4.53 -1.58 -0.66 2.88 1.02 -1.26 -2.99 120.64 122.58 3a1j n GLU 268 Ca -0.12 1.11 -0.02 0.00 -0.02 0.00 0.00 57.16 58.11 3a1j n GLU 268 Cb 0.43 -5.37 -0.01 0.00 -0.02 0.00 0.00 31.44 26.47 3a1j n GLU 268 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3a1j n ASP 269 N -2.34 -3.28 -4.13 1.62 5.75 -1.26 -4.89 116.55 108.03 3a1j n ASP 269 Ca -0.03 0.04 -0.34 0.00 -0.01 0.00 0.00 54.79 54.45 3a1j n ASP 269 Cb 0.55 -2.26 -0.14 0.00 -1.03 0.00 0.00 41.12 38.24 3a1j n ASP 269 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3a1j s VAL 270 N -0.75 2.76 0.27 2.12 1.01 -1.16 -4.59 120.40 120.06 3a1j s VAL 270 Ca 0.00 -1.57 -0.16 0.00 0.00 0.00 0.00 61.98 60.25 3a1j s VAL 270 Cb 0.00 -2.65 -0.08 0.00 0.00 0.00 0.00 36.38 33.65 3a1j s VAL 270 CO 0.00 -0.17 0.70 -0.94 0.00 0.00 0.00 175.10 174.69 3a1j s SER 271 N 1.24 6.86 -0.06 3.32 1.04 -1.19 -2.48 113.70 122.43 3a1j s SER 271 Ca -0.04 1.28 -0.01 0.00 0.48 0.00 0.00 55.95 57.66 3a1j s SER 271 Cb -0.20 -2.37 0.03 0.00 0.10 0.00 0.00 66.02 63.58 3a1j s SER 271 CO -0.03 -0.09 0.01 -0.22 0.98 0.00 0.00 173.24 173.90 3a1j s LEU 272 N -2.54 0.51 -0.29 2.42 2.96 -0.32 -1.67 118.68 119.75 3a1j s LEU 272 Ca 0.48 -0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 54.31 3a1j s LEU 272 Cb -0.13 -0.37 0.03 0.00 0.50 0.00 0.00 46.19 46.22 3a1j s LEU 272 CO 0.19 -0.20 0.02 -1.10 -1.32 0.00 0.00 176.35 173.94 3a1j s GLN 273 N 1.98 2.75 -0.09 1.98 -1.52 0.15 -1.62 119.66 123.30 3a1j s GLN 273 Ca 0.05 -1.06 -0.01 0.00 -1.95 0.00 0.00 55.36 52.39 3a1j s GLN 273 Cb -0.12 -3.22 -0.03 0.00 -0.22 0.00 0.00 33.01 29.41 3a1j s GLN 273 CO -0.05 -0.52 -0.05 -0.47 -0.25 0.00 0.00 175.29 173.96 3a1j s TYR 274 N 1.36 3.01 -0.13 0.91 5.04 -0.57 0.02 117.35 126.99 3a1j s TYR 274 Ca -0.01 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.63 3a1j s TYR 274 Cb -0.18 -1.77 0.02 0.00 0.35 0.00 0.00 41.96 40.38 3a1j s TYR 274 CO -0.00 0.30 -0.11 -0.06 -1.34 0.00 0.00 175.55 174.34 3a1j s PHE 275 N -0.63 1.82 -0.22 4.97 0.08 0.10 -0.71 117.98 123.38 3a1j s PHE 275 Ca 0.10 -0.97 0.02 0.00 0.12 0.00 0.00 56.93 56.20 3a1j s PHE 275 Cb -0.12 -1.41 0.04 0.00 -0.57 0.00 0.00 43.02 40.97 3a1j s PHE 275 CO 0.02 -0.58 -0.16 0.42 -0.10 0.00 0.00 175.22 174.82 3a1j s ILE 276 N 1.57 2.10 0.61 0.64 1.01 -0.36 -1.80 121.20 124.98 3a1j s ILE 276 Ca 0.04 -1.27 -0.13 0.00 0.00 0.00 0.00 60.65 59.30 3a1j s ILE 276 Cb -0.13 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 3a1j s ILE 276 CO -0.09 0.27 1.03 -2.16 0.00 0.00 0.00 174.94 173.99 3a1j s PRO 277 N 1.20 3.47 1.09 2.79 0.04 -1.26 -0.81 135.00 141.52 3a1j s PRO 277 Ca -0.02 0.93 -0.12 0.00 0.04 0.00 0.00 61.00 61.83 3a1j s PRO 277 Cb -0.16 -2.06 0.24 0.00 0.04 0.00 0.00 34.50 32.56 3a1j s PRO 277 CO -0.09 -0.67 1.06 0.00 0.04 0.00 0.00 177.00 177.33 3a1j s ALA 278 N -2.89 0.10 0.62 8.56 0.00 -0.76 -4.70 121.76 122.69 3a1j s ALA 278 Ca 0.58 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 3a1j s ALA 278 Cb -0.12 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 3a1j s ALA 278 CO 0.46 -3.47 1.03 -1.17 0.00 0.00 0.00 175.76 172.61 3a1j s LEU 279 N -6.96 3.29 0.00 0.00 2.96 -0.09 -4.94 118.68 112.93 3a1j s LEU 279 Ca 0.67 1.51 0.00 0.00 -0.22 0.00 0.00 54.13 56.09 3a1j s LEU 279 Cb -0.23 -4.49 0.00 0.00 0.50 0.00 0.00 46.19 41.97 3a1j s LEU 279 CO 0.62 -0.97 0.00 -1.54 -1.32 0.00 0.00 176.35 173.14