#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1auw h ASP 18 N 0.00 -0.59 0.07 3.42 3.58 -2.05 -0.37 116.42 120.48 1auw h ASP 18 Ca 0.00 0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 1auw h ASP 18 Cb 0.00 0.37 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 1auw h ASP 18 CO 0.00 -0.20 -0.08 1.55 -2.88 0.00 0.00 179.24 177.62 1auw h PRO 19 N -0.03 0.04 -0.08 0.28 0.13 -2.05 0.28 132.00 130.57 1auw h PRO 19 Ca 0.26 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.35 1auw h PRO 19 Cb 0.43 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 1auw h PRO 19 CO -0.57 0.13 -0.06 0.82 -0.23 0.00 0.00 178.00 178.09 1auw h ILE 20 N 0.04 1.35 -0.53 -3.56 1.08 -1.58 -1.83 117.51 112.48 1auw h ILE 20 Ca 0.01 -1.16 -0.03 0.00 -0.39 0.00 0.00 64.86 63.29 1auw h ILE 20 Cb 0.18 1.96 -0.03 0.00 -3.07 0.00 0.00 36.82 35.86 1auw h ILE 20 CO 0.01 0.32 0.20 -0.03 -0.69 0.00 0.00 178.15 177.96 1auw h MET 21 N -0.24 0.78 -0.15 2.37 4.05 -0.59 -0.38 114.93 120.78 1auw h MET 21 Ca 0.01 -0.12 0.02 0.00 -0.28 0.00 0.00 59.70 59.33 1auw h MET 21 Cb 0.54 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 1auw h MET 21 CO 0.02 0.65 0.04 1.49 0.23 0.00 0.00 176.91 179.33 1auw h GLU 22 N 0.76 0.10 -0.26 0.39 4.81 -0.26 0.13 114.58 120.25 1auw h GLU 22 Ca 0.18 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.28 1auw h GLU 22 Cb 0.18 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1auw h GLU 22 CO -0.01 0.06 -0.35 1.57 -0.73 0.00 0.00 179.01 179.55 1auw h LYS 23 N 0.10 0.57 0.00 1.92 2.10 -0.92 -2.18 116.57 118.16 1auw h LYS 23 Ca 0.06 -0.26 -0.01 0.00 -2.00 0.00 0.00 60.65 58.44 1auw h LYS 23 Cb 0.05 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1auw h LYS 23 CO -0.08 0.84 -0.05 1.25 -2.00 0.00 0.00 179.45 179.40 1auw h LEU 24 N 0.48 0.00 0.00 7.07 5.85 -0.32 -2.16 115.31 126.23 1auw h LEU 24 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1auw h LEU 24 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1auw h LEU 24 CO 0.07 0.05 -0.97 -3.20 -0.34 0.00 0.00 178.44 174.05 1auw n ASN 25 N -3.25 0.63 -4.74 1.25 5.15 0.38 -4.93 115.26 109.76 1auw n ASN 25 Ca -0.01 -0.30 -0.41 0.00 -0.60 0.00 0.00 54.58 53.27 1auw n ASN 25 Cb 0.25 0.76 -0.05 0.00 -0.53 0.00 0.00 39.78 40.21 1auw n ASN 25 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1auw s SER 26 N -3.72 7.53 0.00 1.20 0.15 -0.82 -4.95 113.70 113.10 1auw s SER 26 Ca 0.05 1.90 0.00 0.00 0.70 0.00 0.00 55.95 58.59 1auw s SER 26 Cb 0.15 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1auw s SER 26 CO 0.80 0.00 0.14 -1.54 1.20 0.00 0.00 173.24 173.84 1auw n SER 27 N 2.20 0.28 -0.22 5.45 3.41 0.30 -4.76 113.62 120.29 1auw n SER 27 Ca 0.01 -0.62 0.29 0.00 -0.26 0.00 0.00 58.87 58.29 1auw n SER 27 Cb 0.48 0.54 0.70 0.00 -0.26 0.00 0.00 64.21 65.67 1auw n SER 27 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1auw h ILE 28 N 0.06 0.53 -0.36 -1.33 6.09 -1.72 -0.52 117.51 120.26 1auw h ILE 28 Ca 0.00 -0.02 0.03 0.00 -1.37 0.00 0.00 64.86 63.50 1auw h ILE 28 Cb 0.03 0.47 -0.02 0.00 0.47 0.00 0.00 36.82 37.77 1auw h ILE 28 CO 0.00 0.01 0.24 0.00 -3.07 0.00 0.00 178.15 175.33 1auw h ALA 29 N 1.53 1.87 0.00 0.18 0.00 -1.88 -3.31 119.26 117.65 1auw h ALA 29 Ca 0.47 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.31 1auw h ALA 29 Cb 1.78 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1auw h ALA 29 CO -0.04 0.09 -1.20 2.48 0.00 0.00 0.00 179.25 180.58 1auw n TYR 30 N -4.49 0.00 1.78 0.00 0.18 -0.35 -4.73 117.16 109.56 1auw n TYR 30 Ca 0.03 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.82 1auw n TYR 30 Cb 0.15 -0.14 0.01 0.00 -0.38 0.00 0.00 39.34 38.97 1auw n TYR 30 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 1auw n ASP 31 N -2.13 0.26 0.28 9.48 5.68 -0.35 -3.88 116.55 125.88 1auw n ASP 31 Ca -0.05 -2.00 0.15 0.00 -0.50 0.00 0.00 54.79 52.38 1auw n ASP 31 Cb 0.59 -0.09 0.82 0.00 -1.14 0.00 0.00 41.12 41.30 1auw n ASP 31 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1auw h GLN 32 N 0.09 0.00 0.00 0.11 4.20 -1.81 -1.21 115.11 116.49 1auw h GLN 32 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1auw h GLN 32 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1auw h GLN 32 CO 0.00 0.07 0.00 2.89 -0.67 0.00 0.00 178.83 181.12 1auw n ARG 33 N -3.62 0.15 -0.26 1.46 1.85 -1.25 -1.74 116.66 113.24 1auw n ARG 33 Ca -0.02 0.16 0.07 0.00 -1.00 0.00 0.00 57.85 57.06 1auw n ARG 33 Cb 0.18 -1.50 0.21 0.00 -1.05 0.00 0.00 32.46 30.30 1auw n ARG 33 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1auw n LEU 34 N -1.37 2.57 0.12 2.89 4.77 -0.46 -4.49 117.00 121.03 1auw n LEU 34 Ca 0.07 -1.29 -0.13 0.00 -0.03 0.00 0.00 56.01 54.63 1auw n LEU 34 Cb 0.16 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1auw n LEU 34 CO 0.14 0.60 0.76 0.77 -1.33 0.00 0.00 177.39 178.33 1auw h SER 35 N 2.64 -0.43 -0.45 -1.43 4.64 -1.50 -1.78 113.55 115.24 1auw h SER 35 Ca 0.00 0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 1auw h SER 35 Cb 0.68 0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 1auw h SER 35 CO 0.03 -0.24 0.06 -0.08 -0.87 0.00 0.00 176.83 175.73 1auw h GLU 36 N -0.35 0.76 -0.25 4.77 4.57 -1.85 -1.77 114.58 120.47 1auw h GLU 36 Ca 0.00 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 57.92 1auw h GLU 36 Cb 0.33 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1auw h GLU 36 CO -0.04 0.78 -0.10 -0.39 -1.18 0.00 0.00 179.01 178.08 1auw h VAL 37 N 0.62 1.20 -0.32 0.32 -1.51 -1.86 0.56 116.25 115.26 1auw h VAL 37 Ca 0.14 -0.87 -0.04 0.00 -1.23 0.00 0.00 66.70 64.69 1auw h VAL 37 Cb 0.40 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 1auw h VAL 37 CO 0.01 0.28 0.03 -0.78 -1.23 0.00 0.00 177.57 175.88 1auw h ASP 38 N 0.38 0.54 -0.78 4.19 3.58 -1.09 0.39 116.42 123.62 1auw h ASP 38 Ca 0.08 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.23 1auw h ASP 38 Cb 0.41 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.28 1auw h ASP 38 CO 0.02 0.68 0.44 0.40 -2.88 0.00 0.00 179.24 177.90 1auw h ILE 39 N 0.37 1.23 -0.51 2.25 1.08 -0.65 -1.88 117.51 119.40 1auw h ILE 39 Ca 0.10 -0.57 -0.07 0.00 -0.39 0.00 0.00 64.86 63.93 1auw h ILE 39 Cb 0.39 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.28 1auw h ILE 39 CO 0.01 0.26 0.06 1.56 -0.69 0.00 0.00 178.15 179.35 1auw h GLN 40 N 1.11 0.86 0.25 2.37 1.08 -0.42 -2.07 115.11 118.29 1auw h GLN 40 Ca 0.28 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1auw h GLN 40 Cb 0.02 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1auw h GLN 40 CO -0.05 0.87 -0.12 0.78 -0.95 0.00 0.00 178.83 179.36 1auw h GLY 41 N 0.74 -0.35 0.39 3.46 0.00 -0.52 -2.51 103.07 104.28 1auw h GLY 41 Ca 0.15 0.13 0.12 0.00 0.00 0.00 0.00 47.33 47.73 1auw h GLY 41 CO 0.01 -0.13 0.50 1.76 0.00 0.00 0.00 176.54 178.69 1auw h SER 42 N -0.39 0.68 -0.69 0.19 0.02 -1.31 0.02 113.55 112.08 1auw h SER 42 Ca -0.03 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1auw h SER 42 Cb 0.30 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1auw h SER 42 CO 0.06 0.35 0.16 0.24 -1.14 0.00 0.00 176.83 176.50 1auw h MET 43 N 0.78 1.12 -0.11 3.45 2.07 -1.20 0.60 114.93 121.64 1auw h MET 43 Ca 0.45 -0.27 -0.02 0.00 -2.07 0.00 0.00 59.70 57.79 1auw h MET 43 Cb 0.51 -0.15 -0.00 0.00 -1.87 0.00 0.00 31.60 30.09 1auw h MET 43 CO -0.30 0.99 -0.03 0.00 1.07 0.00 0.00 176.91 178.64 1auw h ALA 44 N 1.11 0.15 -0.79 6.32 0.00 -0.90 -2.68 119.26 122.47 1auw h ALA 44 Ca 0.22 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1auw h ALA 44 Cb 0.38 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1auw h ALA 44 CO 0.00 -0.12 0.47 -0.92 0.00 0.00 0.00 179.25 178.69 1auw h TYR 45 N -0.12 0.86 -0.64 0.00 3.20 -0.78 -1.30 116.97 118.20 1auw h TYR 45 Ca 0.03 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.94 1auw h TYR 45 Cb 0.44 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 1auw h TYR 45 CO 0.05 0.42 0.41 0.00 -1.64 0.00 0.00 178.16 177.40 1auw h ALA 46 N 1.39 0.82 -0.63 1.82 0.00 -0.82 0.62 119.26 122.45 1auw h ALA 46 Ca 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1auw h ALA 46 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1auw h ALA 46 CO -0.18 0.19 0.36 0.87 0.00 0.00 0.00 179.25 180.49 1auw h LYS 47 N 0.82 0.88 -0.24 0.00 1.57 -0.92 -0.32 116.57 118.35 1auw h LYS 47 Ca 0.25 -0.09 -0.13 0.00 -1.87 0.00 0.00 60.65 58.81 1auw h LYS 47 Cb -0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1auw h LYS 47 CO -0.08 0.65 -0.38 0.00 -0.57 0.00 0.00 179.45 179.07 1auw h ALA 48 N 1.18 0.90 -0.62 3.86 0.00 -0.96 -2.03 119.26 121.58 1auw h ALA 48 Ca 0.23 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1auw h ALA 48 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1auw h ALA 48 CO -0.04 0.63 0.10 -0.07 0.00 0.00 0.00 179.25 179.88 1auw h LEU 49 N 0.44 0.99 -0.28 0.00 3.38 -0.43 -0.38 115.31 119.03 1auw h LEU 49 Ca 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1auw h LEU 49 Cb 0.86 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1auw h LEU 49 CO 0.07 1.00 0.15 -0.08 0.09 0.00 0.00 178.44 179.67 1auw h GLU 50 N 0.94 0.40 -0.89 1.13 4.22 -0.91 0.37 114.58 119.84 1auw h GLU 50 Ca 0.19 -0.05 0.04 0.00 0.08 0.00 0.00 59.36 59.62 1auw h GLU 50 Cb 0.43 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1auw h GLU 50 CO 0.01 0.36 0.59 -0.22 -2.18 0.00 0.00 179.01 177.56 1auw h LYS 51 N 0.34 1.07 0.00 1.92 3.64 -1.04 0.18 116.57 122.67 1auw h LYS 51 Ca 0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1auw h LYS 51 Cb 0.08 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1auw h LYS 51 CO -0.02 0.71 0.00 0.00 -2.27 0.00 0.00 179.45 177.87 1auw n ALA 52 N -2.40 2.27 -1.05 5.00 0.00 -0.18 -4.85 120.51 119.31 1auw n ALA 52 Ca 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1auw n ALA 52 Cb 0.12 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 1auw n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1auw n GLY 53 N 0.39 0.52 0.08 0.00 0.00 0.64 -4.92 105.19 101.90 1auw n GLY 53 Ca 0.15 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 1auw n GLY 53 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1auw h ILE 54 N 0.00 1.28 -3.89 -0.61 1.08 -1.10 -3.46 117.51 110.81 1auw h ILE 54 Ca -0.03 -3.04 -0.69 0.00 -0.39 0.00 0.00 64.86 60.71 1auw h ILE 54 Cb 0.13 2.67 -0.21 0.00 -3.07 0.00 0.00 36.82 36.34 1auw h ILE 54 CO 0.05 0.76 -0.85 -0.76 -0.69 0.00 0.00 178.15 176.66 1auw s LEU 55 N -6.52 2.41 0.44 1.44 1.43 -1.20 -4.95 118.68 111.72 1auw s LEU 55 Ca -0.03 -0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 52.32 1auw s LEU 55 Cb 0.09 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1auw s LEU 55 CO 0.83 0.19 0.75 0.42 0.23 0.00 0.00 176.35 178.77 1auw s THR 56 N -1.06 4.90 0.25 5.49 -4.23 -1.26 -4.52 115.64 115.21 1auw s THR 56 Ca 0.15 0.26 -0.03 0.00 -1.18 0.00 0.00 61.69 60.89 1auw s THR 56 Cb -0.10 -3.82 0.23 0.00 1.34 0.00 0.00 72.50 70.15 1auw s THR 56 CO 0.07 -0.71 1.80 0.50 -0.54 0.00 0.00 174.62 175.74 1auw h LYS 57 N 0.63 0.75 -0.17 3.99 1.63 -1.99 0.96 116.57 122.37 1auw h LYS 57 Ca -0.47 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.28 1auw h LYS 57 Cb 1.20 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.65 1auw h LYS 57 CO 0.63 0.50 0.10 1.15 -3.45 0.00 0.00 179.45 178.37 1auw h THR 58 N 0.77 1.07 -0.79 1.00 2.02 -1.99 -0.97 112.91 114.02 1auw h THR 58 Ca 0.43 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.46 1auw h THR 58 Cb 0.46 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 1auw h THR 58 CO -0.28 0.07 0.50 -0.33 0.37 0.00 0.00 175.52 175.85 1auw h GLU 59 N 0.20 0.94 0.12 6.66 5.08 -1.60 -1.64 114.58 124.34 1auw h GLU 59 Ca 0.06 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1auw h GLU 59 Cb 0.02 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1auw h GLU 59 CO -0.01 0.62 -0.20 1.25 -1.00 0.00 0.00 179.01 179.68 1auw h LEU 60 N 0.97 -0.54 -1.00 1.33 5.85 -0.32 -0.79 115.31 120.80 1auw h LEU 60 Ca 0.32 0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.20 1auw h LEU 60 Cb 0.02 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 1auw h LEU 60 CO -0.12 -0.28 0.64 -0.33 -0.34 0.00 0.00 178.44 178.01 1auw h GLU 61 N -0.38 1.04 -0.17 1.25 4.39 -0.77 1.00 114.58 120.94 1auw h GLU 61 Ca 0.02 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1auw h GLU 61 Cb 0.40 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1auw h GLU 61 CO -0.10 0.69 0.01 0.87 -1.16 0.00 0.00 179.01 179.33 1auw h LYS 62 N 1.08 0.28 -0.24 2.33 1.57 -0.77 -1.92 116.57 118.90 1auw h LYS 62 Ca 0.47 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 1auw h LYS 62 Cb 0.35 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1auw h LYS 62 CO -0.23 0.48 0.11 0.82 -0.57 0.00 0.00 179.45 180.07 1auw h ILE 63 N 0.05 1.14 -0.16 1.86 2.04 -0.36 -0.73 117.51 121.35 1auw h ILE 63 Ca 0.05 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.54 1auw h ILE 63 Cb 0.34 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1auw h ILE 63 CO 0.01 0.14 -0.03 -0.07 0.00 0.00 0.00 178.15 178.20 1auw h LEU 64 N 0.25 -0.13 -0.70 1.44 4.07 -0.81 0.11 115.31 119.53 1auw h LEU 64 Ca 0.08 0.05 0.02 0.00 0.08 0.00 0.00 57.88 58.11 1auw h LEU 64 Cb 0.12 0.09 -0.04 0.00 1.08 0.00 0.00 40.66 41.91 1auw h LEU 64 CO -0.01 -0.04 0.45 0.28 -1.08 0.00 0.00 178.44 178.04 1auw h SER 65 N 0.01 0.76 -0.87 -0.43 0.02 -1.19 -0.00 113.55 111.85 1auw h SER 65 Ca 0.08 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1auw h SER 65 Cb 0.11 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1auw h SER 65 CO -0.16 0.54 0.45 1.23 -1.14 0.00 0.00 176.83 177.75 1auw h GLY 66 N 0.90 1.31 1.45 -3.77 0.00 -0.48 -0.92 103.07 101.56 1auw h GLY 66 Ca 0.27 -0.62 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 1auw h GLY 66 CO -0.08 0.59 -0.08 1.41 0.00 0.00 0.00 176.54 178.38 1auw h LEU 67 N 1.22 0.65 -0.70 3.11 3.38 0.10 -2.09 115.31 120.98 1auw h LEU 67 Ca 0.30 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1auw h LEU 67 Cb 0.07 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1auw h LEU 67 CO -0.04 0.77 0.10 -0.33 0.09 0.00 0.00 178.44 179.02 1auw h GLU 68 N 0.62 1.10 -0.15 1.13 5.08 -0.11 -1.76 114.58 120.48 1auw h GLU 68 Ca 0.11 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1auw h GLU 68 Cb 0.51 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1auw h GLU 68 CO 0.03 1.01 0.07 -0.22 -1.00 0.00 0.00 179.01 178.90 1auw h LYS 69 N 1.02 0.21 -0.89 2.33 3.11 -0.75 -1.64 116.57 119.97 1auw h LYS 69 Ca 0.20 -0.03 0.01 0.00 -2.81 0.00 0.00 60.65 58.02 1auw h LYS 69 Cb 0.45 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.60 1auw h LYS 69 CO 0.01 0.26 0.59 0.82 -2.81 0.00 0.00 179.45 178.32 1auw h ILE 70 N 0.12 1.23 -0.59 2.00 2.04 -1.29 -0.98 117.51 120.03 1auw h ILE 70 Ca 0.05 -0.41 0.06 0.00 1.00 0.00 0.00 64.86 65.56 1auw h ILE 70 Cb 0.11 -0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.05 1auw h ILE 70 CO -0.01 0.22 0.29 -1.28 0.00 0.00 0.00 178.15 177.38 1auw h SER 71 N 1.21 0.40 -0.48 1.72 0.87 -0.99 -1.90 113.55 114.38 1auw h SER 71 Ca 0.33 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1auw h SER 71 Cb -0.13 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1auw h SER 71 CO -0.07 0.26 0.31 -0.08 -0.53 0.00 0.00 176.83 176.71 1auw h GLU 72 N 0.54 0.64 -0.07 2.24 4.81 -0.37 -0.51 114.58 121.86 1auw h GLU 72 Ca 0.27 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.49 1auw h GLU 72 Cb 0.22 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1auw h GLU 72 CO -0.20 0.44 -0.17 0.93 -0.73 0.00 0.00 179.01 179.28 1auw h GLU 73 N 0.64 -0.23 -0.53 1.92 5.08 -0.47 0.32 114.58 121.32 1auw h GLU 73 Ca 0.17 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1auw h GLU 73 Cb -0.05 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1auw h GLU 73 CO -0.04 -0.15 0.32 -1.49 -1.00 0.00 0.00 179.01 176.65 1auw h TRP 74 N -0.24 0.70 -0.85 4.33 4.06 -1.13 0.35 115.95 123.18 1auw h TRP 74 Ca 0.08 -0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.08 1auw h TRP 74 Cb 0.34 -0.23 -0.06 0.00 -1.00 0.00 0.00 29.16 28.21 1auw h TRP 74 CO -0.25 0.49 0.53 0.77 -3.56 0.00 0.00 178.44 176.42 1auw h SER 75 N 0.71 0.83 1.64 -3.49 0.02 -0.30 -0.61 113.55 112.35 1auw h SER 75 Ca 0.19 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1auw h SER 75 Cb -0.01 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1auw h SER 75 CO -0.04 0.53 0.00 0.11 -1.14 0.00 0.00 176.83 176.30 1auw h LYS 76 N 0.97 0.00 0.00 3.45 1.57 0.11 -3.47 116.57 119.19 1auw h LYS 76 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1auw h LYS 76 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1auw h LYS 76 CO -0.17 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.12 1auw n GLY 77 N 0.95 0.56 1.07 3.86 0.00 -0.00 -4.96 105.19 106.66 1auw n GLY 77 Ca 0.04 -0.75 0.06 0.00 0.00 0.00 0.00 46.02 45.38 1auw n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1auw n VAL 78 N -2.72 2.40 -2.43 1.61 0.24 -0.52 -4.99 118.33 111.93 1auw n VAL 78 Ca 0.00 -1.91 -0.42 0.00 -2.04 0.00 0.00 64.34 59.97 1auw n VAL 78 Cb 0.00 -0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.07 1auw n VAL 78 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1auw s PHE 79 N -2.88 3.19 -0.36 6.34 2.19 -1.23 -4.94 117.98 120.30 1auw s PHE 79 Ca 0.44 1.18 -0.21 0.00 0.33 0.00 0.00 56.93 58.68 1auw s PHE 79 Cb 0.36 -3.45 0.00 0.00 -1.31 0.00 0.00 43.02 38.63 1auw s PHE 79 CO 0.09 -1.44 0.67 0.08 1.83 0.00 0.00 175.22 176.46 1auw s VAL 80 N 2.05 4.85 -0.57 3.12 1.01 -1.26 -5.01 120.40 124.58 1auw s VAL 80 Ca 0.57 0.67 -0.21 0.00 0.00 0.00 0.00 61.98 63.02 1auw s VAL 80 Cb -0.26 -4.11 0.07 0.00 0.00 0.00 0.00 36.38 32.08 1auw s VAL 80 CO 0.24 -0.34 0.78 -0.69 0.00 0.00 0.00 175.10 175.09 1auw s VAL 81 N 2.80 4.65 0.52 2.92 1.01 -1.26 -5.04 120.40 126.00 1auw s VAL 81 Ca 0.26 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 1auw s VAL 81 Cb -0.14 -4.48 -0.06 0.00 0.00 0.00 0.00 36.38 31.70 1auw s VAL 81 CO 0.15 -1.10 1.19 -0.54 0.00 0.00 0.00 175.10 174.81 1auw s LYS 82 N 3.20 3.42 0.33 2.72 3.01 -1.26 -4.91 119.74 126.25 1auw s LYS 82 Ca 0.18 1.82 0.23 0.00 -1.01 0.00 0.00 55.97 57.19 1auw s LYS 82 Cb -0.19 -2.20 1.20 0.00 -1.01 0.00 0.00 37.83 35.63 1auw s LYS 82 CO 0.11 -0.85 1.70 1.96 0.51 0.00 0.00 175.35 178.78 1auw h GLN 83 N 1.54 0.00 0.00 1.68 4.20 -2.06 -1.05 115.11 119.41 1auw h GLN 83 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 1auw h GLN 83 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1auw h GLN 83 CO 0.58 0.00 -0.03 0.66 -0.67 0.00 0.00 178.83 179.37 1auw h SER 84 N 0.00 0.00 -2.68 1.46 4.64 -2.03 -3.44 113.55 111.50 1auw h SER 84 Ca 0.00 -0.01 -0.55 0.00 -0.47 0.00 0.00 61.79 60.76 1auw h SER 84 Cb 0.05 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 1auw h SER 84 CO 0.00 0.00 1.22 -1.81 -0.87 0.00 0.00 176.83 175.37 1auw s ASP 85 N -4.65 5.90 0.20 4.97 1.01 -0.40 -4.85 116.67 118.84 1auw s ASP 85 Ca 0.10 0.81 0.15 0.00 0.71 0.00 0.00 52.55 54.31 1auw s ASP 85 Cb 0.12 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 1auw s ASP 85 CO 0.61 -1.79 1.25 1.05 0.21 0.00 0.00 175.17 176.49 1auw h GLU 86 N 12.53 0.00 -3.41 8.23 9.09 -1.88 -3.44 114.58 135.70 1auw h GLU 86 Ca -0.29 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.07 1auw h GLU 86 Cb 1.14 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.18 1auw h GLU 86 CO 1.11 0.49 0.05 0.16 0.05 0.00 0.00 179.01 180.87 1auw s ASP 87 N -6.29 0.02 0.24 3.06 1.47 -1.26 -0.54 116.67 113.37 1auw s ASP 87 Ca 0.02 -0.96 -0.07 0.00 1.18 0.00 0.00 52.55 52.72 1auw s ASP 87 Cb 0.08 0.69 0.23 0.00 -0.34 0.00 0.00 42.92 43.58 1auw s ASP 87 CO 0.77 -1.33 1.91 -0.29 0.68 0.00 0.00 175.17 176.91 1auw h ILE 88 N 2.11 1.25 -0.87 2.11 6.09 -1.89 -1.51 117.51 124.81 1auw h ILE 88 Ca -0.26 -0.47 0.01 0.00 -1.37 0.00 0.00 64.86 62.77 1auw h ILE 88 Cb 1.25 -0.13 -0.04 0.00 0.47 0.00 0.00 36.82 38.37 1auw h ILE 88 CO 0.33 0.24 0.57 0.78 -3.07 0.00 0.00 178.15 177.01 1auw h ASN 89 N 1.28 1.00 -0.13 2.19 2.35 -1.95 -1.32 115.58 119.02 1auw h ASN 89 Ca 0.34 -0.03 -0.23 0.00 -0.55 0.00 0.00 56.30 55.84 1auw h ASN 89 Cb -0.13 -0.25 0.01 0.00 0.05 0.00 0.00 38.32 38.00 1auw h ASN 89 CO -0.07 0.73 -0.81 0.74 -1.65 0.00 0.00 177.43 176.37 1auw h THR 90 N 1.18 1.28 -0.15 2.81 2.02 -1.92 -2.99 112.91 115.14 1auw h THR 90 Ca 0.32 -2.00 0.05 0.00 0.77 0.00 0.00 66.41 65.54 1auw h THR 90 Cb -0.13 2.02 -0.06 0.00 -1.74 0.00 0.00 68.15 68.24 1auw h THR 90 CO -0.07 0.63 -0.20 0.00 0.37 0.00 0.00 175.52 176.25 1auw h ALA 91 N 0.55 -0.14 -0.08 6.16 0.00 -0.72 -1.05 119.26 123.99 1auw h ALA 91 Ca -0.06 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1auw h ALA 91 Cb 1.44 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1auw h ALA 91 CO 0.17 -0.65 -0.24 -0.91 0.00 0.00 0.00 179.25 177.62 1auw h ASN 92 N -0.25 0.13 -0.52 0.00 2.35 -1.32 -2.32 115.58 113.65 1auw h ASN 92 Ca 0.11 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.72 1auw h ASN 92 Cb 0.40 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1auw h ASN 92 CO -0.29 0.38 -0.09 -0.33 -1.65 0.00 0.00 177.43 175.45 1auw h GLU 93 N 0.12 0.98 0.27 0.81 5.08 -1.16 -1.28 114.58 119.40 1auw h GLU 93 Ca 0.02 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1auw h GLU 93 Cb 0.49 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1auw h GLU 93 CO 0.03 1.03 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.79 1auw h ARG 94 N 0.85 -0.45 -0.24 2.33 2.43 -0.81 -2.12 114.38 116.38 1auw h ARG 94 Ca 0.14 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1auw h ARG 94 Cb 0.64 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 1auw h ARG 94 CO 0.04 -0.30 0.04 -0.09 -1.51 0.00 0.00 179.97 178.16 1auw h ARG 95 N -0.46 0.12 -0.53 0.20 1.12 -1.31 -0.74 114.38 112.78 1auw h ARG 95 Ca -0.02 -0.01 0.07 0.00 -1.11 0.00 0.00 59.98 58.92 1auw h ARG 95 Cb 0.40 -0.03 -0.06 0.00 -0.01 0.00 0.00 29.97 30.27 1auw h ARG 95 CO -0.00 0.08 0.20 1.25 -3.11 0.00 0.00 179.97 178.39 1auw h LEU 96 N 0.13 0.20 -0.69 3.80 6.46 -1.08 0.66 115.31 124.79 1auw h LEU 96 Ca 0.11 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1auw h LEU 96 Cb 0.11 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.05 1auw h LEU 96 CO -0.15 0.14 0.44 0.50 -0.62 0.00 0.00 178.44 178.75 1auw h LYS 97 N 0.38 0.87 0.00 1.25 3.64 -0.89 0.52 116.57 122.33 1auw h LYS 97 Ca 0.26 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1auw h LYS 97 Cb 0.28 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1auw h LYS 97 CO -0.26 0.57 0.00 0.93 -2.27 0.00 0.00 179.45 178.43 1auw h GLU 98 N 0.89 0.00 0.00 1.90 5.08 0.44 0.61 114.58 123.50 1auw h GLU 98 Ca 0.26 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.25 1auw h GLU 98 Cb -0.05 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.13 1auw h GLU 98 CO -0.08 0.00 -2.40 1.28 -1.00 0.00 0.00 179.01 176.81 1auw n LEU 99 N -2.90 1.19 0.00 1.33 4.32 0.05 -4.73 117.00 116.26 1auw n LEU 99 Ca -0.01 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 1auw n LEU 99 Cb 0.19 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 1auw n LEU 99 CO 0.22 0.67 0.37 2.30 -1.22 0.00 0.00 177.39 179.73 1auw n ILE 100 N -2.96 0.54 -3.74 -0.08 -5.35 0.01 -5.07 119.36 102.71 1auw n ILE 100 Ca -0.38 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.48 1auw n ILE 100 Cb 1.09 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 39.79 1auw n ILE 100 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1auw n GLY 101 N -0.27 -1.85 0.42 3.28 0.00 0.20 -4.29 105.19 102.68 1auw n GLY 101 Ca 0.00 -1.42 0.24 0.00 0.00 0.00 0.00 46.02 44.84 1auw n GLY 101 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1auw h ASP 102 N 0.00 0.00 0.19 1.61 3.58 -1.95 -2.23 116.42 117.61 1auw h ASP 102 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1auw h ASP 102 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1auw h ASP 102 CO 0.00 0.00 0.00 0.16 -2.88 0.00 0.00 179.24 176.52 1auw h ILE 103 N 0.00 0.00 0.00 2.25 3.07 -1.96 -1.30 117.51 119.57 1auw h ILE 103 Ca 0.30 -0.08 -0.02 0.00 1.55 0.00 0.00 64.86 66.61 1auw h ILE 103 Cb 1.37 0.78 -0.00 0.00 -0.27 0.00 0.00 36.82 38.69 1auw h ILE 103 CO -0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 178.15 176.99 1auw h ALA 104 N 2.04 1.11 0.00 0.16 0.00 -1.67 -2.61 119.26 118.29 1auw h ALA 104 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1auw h ALA 104 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1auw h ALA 104 CO 0.00 0.13 -0.38 0.78 0.00 0.00 0.00 179.25 179.78 1auw h GLY 105 N 1.38 0.00 2.00 0.00 0.00 -1.46 -2.46 103.07 102.53 1auw h GLY 105 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1auw h GLY 105 CO 0.01 0.00 -0.01 0.50 0.00 0.00 0.00 176.54 177.04 1auw h LYS 106 N 0.00 0.00 0.00 4.80 1.57 -1.63 -1.81 116.57 119.50 1auw h LYS 106 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1auw h LYS 106 Cb 0.72 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1auw h LYS 106 CO 0.05 0.01 -0.14 1.25 -0.57 0.00 0.00 179.45 180.05 1auw h LEU 107 N 0.00 0.00 0.00 2.94 7.12 -1.60 -2.57 115.31 121.20 1auw h LEU 107 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1auw h LEU 107 Cb 0.13 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.26 1auw h LEU 107 CO 0.00 0.14 -0.09 1.41 -0.13 0.00 0.00 178.44 179.78 1auw n HIS 108 N -3.51 0.06 -1.57 1.25 -0.00 -0.68 -4.82 115.22 105.96 1auw n HIS 108 Ca -0.01 0.02 -0.53 0.00 -0.00 0.00 0.00 57.72 57.20 1auw n HIS 108 Cb 0.30 -0.49 -0.07 0.00 -0.00 0.00 0.00 29.99 29.73 1auw n HIS 108 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1auw n THR 109 N -1.55 0.29 -0.97 1.59 -1.04 -0.97 -1.55 114.28 110.09 1auw n THR 109 Ca 0.07 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1auw n THR 109 Cb 0.35 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 1auw n THR 109 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1auw n GLY 110 N 5.47 0.40 3.86 3.41 0.00 -1.26 -5.02 105.19 112.05 1auw n GLY 110 Ca 0.34 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.15 1auw n GLY 110 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1auw s ARG 111 N -0.61 2.85 0.05 1.61 3.52 -0.59 -4.61 118.95 121.17 1auw s ARG 111 Ca 0.00 -1.18 -0.08 0.00 -0.13 0.00 0.00 55.73 54.33 1auw s ARG 111 Cb 0.00 -2.55 -0.00 0.00 -1.56 0.00 0.00 34.95 30.84 1auw s ARG 111 CO 0.00 0.19 0.17 0.45 -0.81 0.00 0.00 175.30 175.30 1auw s SER 112 N -3.97 0.09 0.50 -2.12 0.15 -1.26 -4.88 113.70 102.20 1auw s SER 112 Ca 0.39 -0.46 0.26 0.00 0.70 0.00 0.00 55.95 56.84 1auw s SER 112 Cb -0.07 0.28 1.32 0.00 -1.71 0.00 0.00 66.02 65.84 1auw s SER 112 CO 0.27 -0.58 2.01 0.03 1.20 0.00 0.00 173.24 176.17 1auw h ARG 113 N 3.37 0.00 -0.27 5.44 2.47 -1.98 -2.53 114.38 120.88 1auw h ARG 113 Ca -0.33 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.40 1auw h ARG 113 Cb 1.19 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.49 1auw h ARG 113 CO 0.50 0.15 0.16 -0.91 0.56 0.00 0.00 179.97 180.44 1auw h ASN 114 N 0.00 0.28 0.95 7.04 -0.26 -1.91 -0.61 115.58 121.07 1auw h ASN 114 Ca -0.00 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1auw h ASN 114 Cb 0.43 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1auw h ASN 114 CO 0.02 0.20 -0.68 -2.24 -1.06 0.00 0.00 177.43 173.67 1auw h ASP 115 N 0.34 0.00 0.08 5.81 2.03 -1.61 -3.35 116.42 119.72 1auw h ASP 115 Ca 0.10 -0.15 -0.00 0.00 -0.73 0.00 0.00 57.03 56.25 1auw h ASP 115 Cb -0.02 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 1auw h ASP 115 CO -0.04 0.08 -0.04 1.56 -1.03 0.00 0.00 179.24 179.77 1auw h GLN 116 N 0.00 -0.10 -0.78 4.15 4.20 -1.18 -2.89 115.11 118.51 1auw h GLN 116 Ca 0.00 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.77 1auw h GLN 116 Cb 0.82 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.57 1auw h GLN 116 CO 0.00 0.35 0.51 -0.39 -0.67 0.00 0.00 178.83 178.63 1auw h VAL 117 N -0.59 1.08 -0.02 -0.54 -1.51 -1.26 -0.57 116.25 112.84 1auw h VAL 117 Ca -0.01 -0.31 -0.22 0.00 -1.23 0.00 0.00 66.70 64.94 1auw h VAL 117 Cb 0.49 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 29.75 1auw h VAL 117 CO 0.02 0.16 -0.89 -0.37 -1.23 0.00 0.00 177.57 175.26 1auw h VAL 118 N 0.90 1.39 -0.48 7.19 -1.51 -1.69 -2.56 116.25 119.49 1auw h VAL 118 Ca 0.32 -2.37 -0.08 0.00 -1.23 0.00 0.00 66.70 63.35 1auw h VAL 118 Cb 0.15 2.34 -0.02 0.00 -2.13 0.00 0.00 31.29 31.63 1auw h VAL 118 CO -0.10 0.71 -0.00 0.74 -1.23 0.00 0.00 177.57 177.68 1auw h THR 119 N 0.25 1.26 0.32 7.19 2.02 -1.23 -1.58 112.91 121.14 1auw h THR 119 Ca -0.07 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1auw h THR 119 Cb 1.51 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 1auw h THR 119 CO 0.15 0.37 -0.34 0.44 0.37 0.00 0.00 175.52 176.52 1auw h ASP 120 N 0.70 -0.93 -0.64 4.18 5.19 -1.12 -1.07 116.42 122.73 1auw h ASP 120 Ca 0.14 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1auw h ASP 120 Cb 0.51 0.32 -0.03 0.00 0.18 0.00 0.00 39.33 40.31 1auw h ASP 120 CO 0.03 -0.47 0.42 -0.07 -3.12 0.00 0.00 179.24 176.02 1auw h LEU 121 N -0.70 0.75 -0.53 1.55 3.38 -1.43 -1.23 115.31 117.10 1auw h LEU 121 Ca -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1auw h LEU 121 Cb 0.64 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1auw h LEU 121 CO -0.07 0.55 0.27 0.11 0.09 0.00 0.00 178.44 179.39 1auw h LYS 122 N 0.87 0.75 -0.24 1.13 1.57 -1.14 0.90 116.57 120.41 1auw h LYS 122 Ca 0.23 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1auw h LYS 122 Cb -0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1auw h LYS 122 CO -0.05 0.60 0.11 1.25 -0.57 0.00 0.00 179.45 180.79 1auw h LEU 123 N 0.71 0.31 0.02 2.94 5.85 -0.98 0.31 115.31 124.47 1auw h LEU 123 Ca 0.18 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1auw h LEU 123 Cb 0.08 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1auw h LEU 123 CO -0.03 0.35 -0.01 0.15 -0.34 0.00 0.00 178.44 178.56 1auw h PHE 124 N 0.26 -0.02 -0.89 1.25 3.57 -1.09 -2.32 116.94 117.70 1auw h PHE 124 Ca 0.08 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1auw h PHE 124 Cb 0.12 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1auw h PHE 124 CO -0.02 0.07 0.54 0.52 -2.23 0.00 0.00 178.31 177.19 1auw h MET 125 N -0.11 1.20 -0.22 1.11 2.86 -0.65 -0.16 114.93 118.97 1auw h MET 125 Ca -0.00 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1auw h MET 125 Cb 0.10 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 1auw h MET 125 CO 0.00 0.83 -0.04 -0.22 1.06 0.00 0.00 176.91 178.54 1auw h LYS 126 N 1.22 0.32 0.05 1.72 3.64 -0.20 -0.47 116.57 122.87 1auw h LYS 126 Ca 0.32 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1auw h LYS 126 Cb -0.06 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1auw h LYS 126 CO -0.06 0.39 -0.03 -0.91 -2.27 0.00 0.00 179.45 176.57 1auw h ASN 127 N 0.31 -0.06 -1.01 4.20 2.35 -0.83 -3.27 115.58 117.28 1auw h ASN 127 Ca 0.07 -0.58 0.13 0.00 -0.55 0.00 0.00 56.30 55.37 1auw h ASN 127 Cb 0.29 0.02 -0.09 0.00 0.05 0.00 0.00 38.32 38.58 1auw h ASN 127 CO 0.01 0.65 0.63 0.28 -1.65 0.00 0.00 177.43 177.35 1auw h SER 128 N -0.88 0.91 0.21 5.81 0.02 -0.90 -0.98 113.55 117.74 1auw h SER 128 Ca -0.01 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1auw h SER 128 Cb 0.64 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1auw h SER 128 CO 0.01 0.46 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.92 1auw h LEU 129 N 0.97 0.00 -0.48 5.07 4.07 -1.19 -1.33 115.31 122.41 1auw h LEU 129 Ca 0.51 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 58.35 1auw h LEU 129 Cb 0.55 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.27 1auw h LEU 129 CO -0.28 0.18 -0.15 0.28 -1.08 0.00 0.00 178.44 177.39 1auw h SER 130 N 0.00 0.96 -0.46 -0.43 0.02 -1.22 -1.09 113.55 111.33 1auw h SER 130 Ca -0.00 -0.37 -0.11 0.00 -0.84 0.00 0.00 61.79 60.46 1auw h SER 130 Cb 0.33 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1auw h SER 130 CO 0.02 1.12 -0.15 0.40 -1.14 0.00 0.00 176.83 177.08 1auw h ILE 131 N 0.80 1.27 -0.48 3.27 2.04 -1.30 -2.17 117.51 120.95 1auw h ILE 131 Ca 0.12 -1.28 -0.12 0.00 1.00 0.00 0.00 64.86 64.58 1auw h ILE 131 Cb 0.71 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1auw h ILE 131 CO 0.05 0.44 -0.16 0.40 0.00 0.00 0.00 178.15 178.89 1auw h ILE 132 N 0.76 1.27 -0.41 -0.67 2.04 -1.20 -2.27 117.51 117.03 1auw h ILE 132 Ca 0.11 -1.29 0.02 0.00 1.00 0.00 0.00 64.86 64.70 1auw h ILE 132 Cb 0.70 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1auw h ILE 132 CO 0.05 0.45 0.24 -1.28 0.00 0.00 0.00 178.15 177.61 1auw h SER 133 N 0.81 0.40 -0.26 1.72 0.87 -1.06 0.12 113.55 116.15 1auw h SER 133 Ca 0.12 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1auw h SER 133 Cb 0.70 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 1auw h SER 133 CO 0.05 0.28 0.12 0.74 -0.53 0.00 0.00 176.83 177.50 1auw h THR 134 N 0.49 0.99 -0.25 2.23 2.02 -1.17 -0.22 112.91 117.00 1auw h THR 134 Ca 0.16 -0.09 -0.08 0.00 0.77 0.00 0.00 66.41 67.17 1auw h THR 134 Cb 0.00 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1auw h THR 134 CO -0.07 0.05 -0.20 0.45 0.37 0.00 0.00 175.52 176.11 1auw h HIS 135 N 0.26 0.50 0.12 3.16 -0.00 -1.01 -1.65 115.15 116.54 1auw h HIS 135 Ca 0.11 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1auw h HIS 135 Cb 0.04 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.32 1auw h HIS 135 CO -0.10 0.64 -0.06 1.25 -0.00 0.00 0.00 177.93 179.66 1auw h LEU 136 N 0.42 -0.14 -1.23 2.43 6.46 -0.26 -2.39 115.31 120.59 1auw h LEU 136 Ca 0.07 -0.27 0.09 0.00 -0.12 0.00 0.00 57.88 57.64 1auw h LEU 136 Cb 0.59 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.50 1auw h LEU 136 CO 0.04 0.21 0.56 -0.07 -0.62 0.00 0.00 178.44 178.56 1auw h LEU 137 N -0.51 0.78 -1.24 2.25 3.38 -0.90 -0.32 115.31 118.75 1auw h LEU 137 Ca -0.02 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1auw h LEU 137 Cb 0.41 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1auw h LEU 137 CO 0.03 0.48 -0.10 -0.61 0.09 0.00 0.00 178.44 178.33 1auw h GLN 138 N 0.87 0.40 0.01 1.13 5.75 -1.15 -0.03 115.11 122.09 1auw h GLN 138 Ca 0.39 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.79 1auw h GLN 138 Cb 0.36 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.85 1auw h GLN 138 CO -0.16 0.51 -0.00 1.25 -2.65 0.00 0.00 178.83 177.78 1auw h LEU 139 N 0.38 -0.01 0.02 -2.39 6.46 -0.56 -1.33 115.31 117.88 1auw h LEU 139 Ca 0.08 -0.40 0.01 0.00 -0.12 0.00 0.00 57.88 57.44 1auw h LEU 139 Cb 0.41 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 1auw h LEU 139 CO 0.02 0.40 -0.08 0.40 -0.62 0.00 0.00 178.44 178.56 1auw h ILE 140 N -0.42 0.79 -0.75 4.05 2.04 -1.13 -1.05 117.51 121.04 1auw h ILE 140 Ca -0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 1auw h ILE 140 Cb 0.41 0.79 -0.09 0.00 -0.74 0.00 0.00 36.82 37.19 1auw h ILE 140 CO 0.00 0.00 0.34 0.50 0.00 0.00 0.00 178.15 178.99 1auw h LYS 141 N -0.16 0.52 -0.39 2.37 3.64 -0.99 -0.34 116.57 121.21 1auw h LYS 141 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1auw h LYS 141 Cb 0.19 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1auw h LYS 141 CO -0.07 0.34 0.19 1.15 -2.27 0.00 0.00 179.45 178.79 1auw h THR 142 N 0.53 1.17 -0.54 1.00 2.02 -0.75 -0.46 112.91 115.87 1auw h THR 142 Ca 0.40 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1auw h THR 142 Cb 0.53 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1auw h THR 142 CO -0.34 0.18 0.33 -0.07 0.37 0.00 0.00 175.52 175.99 1auw h LEU 143 N 0.49 0.65 -0.82 2.58 3.38 0.12 -2.18 115.31 119.52 1auw h LEU 143 Ca 0.13 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1auw h LEU 143 Cb 0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1auw h LEU 143 CO -0.02 0.51 -0.14 0.58 0.09 0.00 0.00 178.44 179.46 1auw h VAL 144 N 0.73 1.26 -0.16 1.22 2.07 -0.91 -1.79 116.25 118.67 1auw h VAL 144 Ca 0.19 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1auw h VAL 144 Cb -0.02 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1auw h VAL 144 CO -0.04 0.40 -0.03 -0.33 0.02 0.00 0.00 177.57 177.59 1auw h GLU 145 N 0.66 0.31 -0.33 1.57 5.08 -0.83 -1.75 114.58 119.29 1auw h GLU 145 Ca 0.11 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1auw h GLU 145 Cb 0.61 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1auw h GLU 145 CO 0.04 0.58 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.49 1auw h ARG 146 N 0.02 0.52 -0.64 2.33 2.43 -1.36 -1.69 114.38 115.98 1auw h ARG 146 Ca 0.04 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 1auw h ARG 146 Cb 0.46 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1auw h ARG 146 CO 0.02 0.58 0.27 0.00 -1.51 0.00 0.00 179.97 179.33 1auw h ALA 147 N 1.46 1.26 0.09 2.80 0.00 -1.13 0.57 119.26 124.31 1auw h ALA 147 Ca 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1auw h ALA 147 Cb 0.39 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1auw h ALA 147 CO 0.02 0.55 -0.04 0.00 0.00 0.00 0.00 179.25 179.77 1auw h ALA 148 N 1.37 -0.12 -0.53 0.00 0.00 -0.46 -2.66 119.26 116.85 1auw h ALA 148 Ca 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1auw h ALA 148 Cb 0.16 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1auw h ALA 148 CO -0.02 -0.34 0.22 0.82 0.00 0.00 0.00 179.25 179.93 1auw h ILE 149 N -0.58 1.19 -0.74 0.00 1.08 -1.22 -2.98 117.51 114.27 1auw h ILE 149 Ca -0.01 -0.59 -0.38 0.00 -0.39 0.00 0.00 64.86 63.49 1auw h ILE 149 Cb 0.48 0.55 -0.23 0.00 -3.07 0.00 0.00 36.82 34.55 1auw h ILE 149 CO 0.02 0.23 0.36 -0.62 -0.69 0.00 0.00 178.15 177.46 1auw n GLU 150 N -4.35 2.15 0.13 2.37 1.02 0.18 -4.73 120.64 117.41 1auw n GLU 150 Ca 0.04 -3.08 0.08 0.00 -0.02 0.00 0.00 57.16 54.18 1auw n GLU 150 Cb 0.15 -2.04 0.44 0.00 -0.02 0.00 0.00 31.44 29.97 1auw n GLU 150 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1auw n ILE 151 N -1.10 1.14 1.00 -3.67 3.06 -1.00 -2.19 119.36 116.60 1auw n ILE 151 Ca 0.49 0.69 0.10 0.00 -2.50 0.00 0.00 62.75 61.54 1auw n ILE 151 Cb 1.42 -1.69 -0.07 0.00 0.54 0.00 0.00 39.64 39.85 1auw n ILE 151 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1auw n ASP 152 N -2.07 1.30 -4.72 9.51 8.00 -1.26 -4.84 116.55 122.47 1auw n ASP 152 Ca -0.01 -1.13 -0.42 0.00 0.71 0.00 0.00 54.79 53.94 1auw n ASP 152 Cb 0.08 0.81 -0.03 0.00 -0.02 0.00 0.00 41.12 41.95 1auw n ASP 152 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1auw s VAL 153 N -2.83 3.39 -0.02 2.53 1.01 -0.93 -4.97 120.40 118.58 1auw s VAL 153 Ca 0.12 1.05 0.06 0.00 0.00 0.00 0.00 61.98 63.21 1auw s VAL 153 Cb 0.17 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1auw s VAL 153 CO 0.77 0.11 -0.20 -0.63 0.00 0.00 0.00 175.10 175.15 1auw s ILE 154 N 0.67 1.57 0.29 2.22 1.01 -1.26 -0.61 121.20 125.09 1auw s ILE 154 Ca 0.60 -0.85 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 1auw s ILE 154 Cb -0.35 -1.30 -0.00 0.00 0.01 0.00 0.00 42.46 40.81 1auw s ILE 154 CO 0.33 0.44 0.46 -1.48 0.00 0.00 0.00 174.94 174.70 1auw s LEU 155 N -0.47 0.67 0.31 2.97 2.34 -0.09 -3.91 118.68 120.50 1auw s LEU 155 Ca 0.08 -1.22 -0.29 0.00 0.06 0.00 0.00 54.13 52.76 1auw s LEU 155 Cb -0.08 1.57 -0.10 0.00 -0.56 0.00 0.00 46.19 47.03 1auw s LEU 155 CO -0.01 -1.21 1.18 -2.84 -1.06 0.00 0.00 176.35 172.41 1auw s PRO 156 N -3.53 4.48 -0.10 1.48 0.02 -1.26 -0.59 135.00 135.50 1auw s PRO 156 Ca 0.27 1.95 -0.16 0.00 0.02 0.00 0.00 61.00 63.08 1auw s PRO 156 Cb -0.00 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.38 1auw s PRO 156 CO 0.14 0.02 0.39 0.20 -0.33 0.00 0.00 177.00 177.42 1auw s GLY 157 N -0.77 2.36 0.05 0.52 0.00 0.18 -4.77 107.32 104.88 1auw s GLY 157 Ca 0.47 -0.29 0.02 0.00 0.00 0.00 0.00 44.72 44.92 1auw s GLY 157 CO 0.45 0.46 0.07 -0.19 0.00 0.00 0.00 173.10 173.90 1auw s TYR 158 N 0.06 3.20 -0.18 1.90 2.02 -1.26 -0.37 117.35 122.72 1auw s TYR 158 Ca 0.22 0.11 -0.04 0.00 -0.37 0.00 0.00 57.07 56.98 1auw s TYR 158 Cb -0.15 -1.65 0.09 0.00 -0.40 0.00 0.00 41.96 39.85 1auw s TYR 158 CO 0.09 0.52 0.30 0.99 -1.57 0.00 0.00 175.55 175.88 1auw s THR 159 N -1.32 -0.47 -1.24 -0.71 2.01 -0.83 -4.79 115.64 108.29 1auw s THR 159 Ca 0.27 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1auw s THR 159 Cb -0.12 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.79 1auw s THR 159 CO 0.19 -0.01 0.00 1.41 -0.69 0.00 0.00 174.62 175.52 1auw n HIS 160 N 5.35 -0.61 -2.14 4.92 8.25 -1.26 -2.19 115.22 127.54 1auw n HIS 160 Ca -0.06 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.22 1auw n HIS 160 Cb 0.50 -2.97 -0.03 0.00 1.12 0.00 0.00 29.99 28.60 1auw n HIS 160 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1auw n LEU 161 N -1.99 -1.61 -4.29 2.41 4.77 -1.26 -4.98 117.00 110.04 1auw n LEU 161 Ca -0.17 0.17 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1auw n LEU 161 Cb 0.61 -2.69 -0.15 0.00 -2.33 0.00 0.00 43.42 38.86 1auw n LEU 161 CO 0.20 -0.43 -0.56 -1.10 -1.33 0.00 0.00 177.39 174.17 1auw s GLN 162 N -4.59 1.86 0.06 3.23 -1.52 -0.93 -5.09 119.66 112.68 1auw s GLN 162 Ca 0.00 -0.94 -0.30 0.00 -1.95 0.00 0.00 55.36 52.17 1auw s GLN 162 Cb 0.00 -1.88 -0.09 0.00 -0.22 0.00 0.00 33.01 30.82 1auw s GLN 162 CO 0.00 0.50 1.89 0.15 -0.25 0.00 0.00 175.29 177.59 1auw s LYS 163 N -0.81 4.15 -0.12 2.91 1.02 -1.26 -1.97 119.74 123.66 1auw s LYS 163 Ca 0.10 2.57 -0.14 0.00 0.02 0.00 0.00 55.97 58.51 1auw s LYS 163 Cb -0.09 -3.95 -0.05 0.00 -0.52 0.00 0.00 37.83 33.21 1auw s LYS 163 CO 0.00 -0.90 -0.27 0.00 -0.92 0.00 0.00 175.35 173.25 1auw n ALA 164 N 6.87 1.27 -3.51 5.17 0.00 0.50 -4.94 120.51 125.87 1auw n ALA 164 Ca 0.19 -0.64 -0.16 0.00 0.00 0.00 0.00 53.44 52.83 1auw n ALA 164 Cb 0.40 0.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 1auw n ALA 164 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1auw s GLN 165 N -2.68 1.02 0.44 0.00 -2.07 -1.20 -4.84 119.66 110.34 1auw s GLN 165 Ca -0.23 0.11 -0.25 0.00 -1.82 0.00 0.00 55.36 53.18 1auw s GLN 165 Cb 0.03 0.48 -0.08 0.00 -1.09 0.00 0.00 33.01 32.35 1auw s GLN 165 CO 0.33 -0.35 1.29 -1.25 -1.32 0.00 0.00 175.29 174.00 1auw s PRO 166 N -1.64 3.78 0.16 9.60 0.04 -1.26 0.48 135.00 146.16 1auw s PRO 166 Ca -0.07 2.11 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 1auw s PRO 166 Cb -0.00 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 1auw s PRO 166 CO 0.05 -0.63 0.09 0.96 0.04 0.00 0.00 177.00 177.51 1auw s ILE 167 N -1.32 0.05 0.01 0.56 -4.36 0.25 -4.71 121.20 111.69 1auw s ILE 167 Ca 0.61 -1.95 -0.18 0.00 -0.26 0.00 0.00 60.65 58.86 1auw s ILE 167 Cb -0.37 -2.26 -0.06 0.00 1.25 0.00 0.00 42.46 41.02 1auw s ILE 167 CO 0.47 -0.24 0.52 -0.13 0.24 0.00 0.00 174.94 175.79 1auw s ARG 168 N -4.10 4.16 0.37 0.37 0.52 -1.26 -0.92 118.95 118.09 1auw s ARG 168 Ca 0.31 0.61 0.13 0.00 -0.52 0.00 0.00 55.73 56.26 1auw s ARG 168 Cb 0.07 -3.28 0.95 0.00 0.52 0.00 0.00 34.95 33.22 1auw s ARG 168 CO 0.07 0.54 1.80 2.35 0.02 0.00 0.00 175.30 180.08 1auw h TRP 169 N 5.06 0.79 -0.32 -0.53 2.91 -1.16 0.12 115.95 122.81 1auw h TRP 169 Ca -0.48 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.55 1auw h TRP 169 Cb 1.21 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 29.61 1auw h TRP 169 CO 0.68 0.16 0.16 0.77 -1.03 0.00 0.00 178.44 179.17 1auw h SER 170 N 0.55 0.39 -0.47 2.65 0.02 -1.79 0.14 113.55 115.03 1auw h SER 170 Ca 0.55 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.42 1auw h SER 170 Cb 1.16 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 1auw h SER 170 CO -0.29 0.34 0.11 -0.61 -1.14 0.00 0.00 176.83 175.23 1auw h GLN 171 N 0.45 0.83 0.05 3.45 5.75 -1.13 0.87 115.11 125.38 1auw h GLN 171 Ca 0.12 -0.18 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1auw h GLN 171 Cb 0.05 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.48 1auw h GLN 171 CO -0.02 0.76 -0.02 0.35 -2.65 0.00 0.00 178.83 177.25 1auw h PHE 172 N 0.79 -0.06 -0.58 3.99 3.57 -0.90 -2.12 116.94 121.63 1auw h PHE 172 Ca 0.17 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1auw h PHE 172 Cb 0.32 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1auw h PHE 172 CO 0.02 0.22 0.27 -0.07 -2.23 0.00 0.00 178.31 176.52 1auw h LEU 173 N -0.35 0.74 -0.79 0.59 3.38 -0.88 -2.75 115.31 115.25 1auw h LEU 173 Ca -0.01 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1auw h LEU 173 Cb 0.32 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1auw h LEU 173 CO 0.01 0.64 -0.45 -0.07 0.09 0.00 0.00 178.44 178.65 1auw h LEU 174 N 0.82 0.00 -1.13 1.67 3.38 -0.73 -2.55 115.31 116.77 1auw h LEU 174 Ca 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1auw h LEU 174 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1auw h LEU 174 CO -0.03 0.45 -0.09 0.77 0.09 0.00 0.00 178.44 179.64 1auw h SER 175 N 0.00 0.48 0.31 -0.43 4.64 -1.07 0.27 113.55 117.74 1auw h SER 175 Ca -0.00 -0.11 -0.22 0.00 -0.47 0.00 0.00 61.79 60.98 1auw h SER 175 Cb 1.01 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1auw h SER 175 CO 0.06 0.62 -0.93 0.45 -0.87 0.00 0.00 176.83 176.16 1auw h HIS 176 N 0.47 0.63 -0.39 4.77 3.86 -1.54 -3.12 115.15 119.83 1auw h HIS 176 Ca 0.09 -0.34 -0.10 0.00 -1.16 0.00 0.00 60.37 58.86 1auw h HIS 176 Cb 0.45 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 1auw h HIS 176 CO 0.01 1.15 -0.18 0.00 0.86 0.00 0.00 177.93 179.78 1auw h ALA 177 N 0.74 0.96 -0.20 2.45 0.00 -0.97 -1.76 119.26 120.47 1auw h ALA 177 Ca -0.08 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 1auw h ALA 177 Cb 1.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1auw h ALA 177 CO 0.16 0.61 -0.49 -0.39 0.00 0.00 0.00 179.25 179.14 1auw h VAL 178 N 0.65 1.31 -0.23 0.00 -1.51 -1.02 -1.79 116.25 113.67 1auw h VAL 178 Ca 0.10 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.83 1auw h VAL 178 Cb 0.66 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.50 1auw h VAL 178 CO 0.05 0.53 0.01 0.00 -1.23 0.00 0.00 177.57 176.93 1auw h ALA 179 N 1.03 0.30 0.00 5.19 0.00 -1.46 -2.34 119.26 121.98 1auw h ALA 179 Ca 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1auw h ALA 179 Cb 1.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1auw h ALA 179 CO 0.09 0.01 -0.09 -0.07 0.00 0.00 0.00 179.25 179.19 1auw h LEU 180 N 0.17 0.00 -1.10 0.00 4.07 -1.26 -1.90 115.31 115.29 1auw h LEU 180 Ca 0.07 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.94 1auw h LEU 180 Cb 0.37 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 1auw h LEU 180 CO 0.01 0.09 -0.30 0.74 -1.08 0.00 0.00 178.44 177.90 1auw h THR 181 N 0.00 1.26 -0.05 0.22 2.02 -0.78 -0.87 112.91 114.71 1auw h THR 181 Ca -0.00 -1.25 -0.15 0.00 0.77 0.00 0.00 66.41 65.78 1auw h THR 181 Cb 0.17 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1auw h THR 181 CO 0.01 0.38 -0.65 0.03 0.37 0.00 0.00 175.52 175.66 1auw h ARG 182 N 0.22 0.19 -0.48 6.66 3.08 -1.12 -1.22 114.38 121.71 1auw h ARG 182 Ca 0.03 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 1auw h ARG 182 Cb 0.65 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1auw h ARG 182 CO 0.05 0.77 0.07 -0.44 -1.07 0.00 0.00 179.97 179.35 1auw h ASP 183 N 0.14 0.77 -0.39 7.04 3.32 -1.20 0.38 116.42 126.48 1auw h ASP 183 Ca -0.01 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 1auw h ASP 183 Cb 1.16 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 1auw h ASP 183 CO 0.10 0.84 0.23 -1.28 -1.72 0.00 0.00 179.24 177.42 1auw h SER 184 N 0.67 0.48 -0.15 6.45 0.87 -0.87 0.22 113.55 121.22 1auw h SER 184 Ca 0.14 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 1auw h SER 184 Cb 0.41 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1auw h SER 184 CO 0.01 0.38 -0.34 -0.08 -0.53 0.00 0.00 176.83 176.27 1auw h GLU 185 N 0.56 0.50 -0.33 2.24 4.81 -0.48 -2.94 114.58 118.94 1auw h GLU 185 Ca 0.15 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 1auw h GLU 185 Cb -0.00 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1auw h GLU 185 CO -0.03 0.95 0.07 0.00 -0.73 0.00 0.00 179.01 179.27 1auw h ARG 186 N 0.13 0.49 -0.45 1.92 3.08 -0.39 -2.66 114.38 116.49 1auw h ARG 186 Ca 0.00 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 59.98 1auw h ARG 186 Cb 0.94 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 1auw h ARG 186 CO 0.08 0.46 0.29 1.25 -1.07 0.00 0.00 179.97 180.97 1auw h LEU 187 N 0.48 0.49 -1.07 3.04 6.46 -0.84 -0.36 115.31 123.51 1auw h LEU 187 Ca 0.11 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.79 1auw h LEU 187 Cb 0.20 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 1auw h LEU 187 CO -0.00 0.35 -0.11 1.23 -0.62 0.00 0.00 178.44 179.29 1auw h GLY 188 N 0.58 0.57 0.79 3.75 0.00 -1.31 0.76 103.07 108.22 1auw h GLY 188 Ca 0.17 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1auw h GLY 188 CO -0.05 0.36 0.02 0.83 0.00 0.00 0.00 176.54 177.70 1auw h GLU 189 N 0.49 0.20 -0.17 4.80 5.08 -1.17 -1.51 114.58 122.29 1auw h GLU 189 Ca 0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1auw h GLU 189 Cb 0.49 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1auw h GLU 189 CO 0.03 0.40 0.11 0.28 -1.00 0.00 0.00 179.01 178.84 1auw h VAL 190 N -0.04 1.04 -0.44 3.13 2.07 -0.82 -1.82 116.25 119.39 1auw h VAL 190 Ca 0.04 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.55 1auw h VAL 190 Cb 0.30 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1auw h VAL 190 CO 0.00 0.04 0.30 0.50 0.02 0.00 0.00 177.57 178.43 1auw h LYS 191 N 0.23 0.26 -0.65 1.57 3.64 -0.75 -1.78 116.57 119.10 1auw h LYS 191 Ca 0.06 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1auw h LYS 191 Cb -0.03 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1auw h LYS 191 CO -0.01 0.17 0.17 -0.22 -2.27 0.00 0.00 179.45 177.29 1auw h LYS 192 N 0.27 1.02 0.00 1.90 1.63 -0.39 -2.59 116.57 118.41 1auw h LYS 192 Ca 0.20 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1auw h LYS 192 Cb 0.43 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1auw h LYS 192 CO -0.04 0.89 -0.39 0.00 -3.45 0.00 0.00 179.45 176.46 1auw h ARG 193 N 0.97 0.00 0.00 1.90 3.08 -1.19 -3.24 114.38 115.90 1auw h ARG 193 Ca 0.21 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.10 1auw h ARG 193 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1auw h ARG 193 CO -0.00 0.00 -0.76 0.82 -1.07 0.00 0.00 179.97 178.96 1auw h ILE 194 N 0.00 1.30 0.00 2.04 2.04 -1.24 -3.34 117.51 118.31 1auw h ILE 194 Ca 0.00 -2.84 -0.10 0.00 1.00 0.00 0.00 64.86 62.92 1auw h ILE 194 Cb 0.76 2.64 -0.04 0.00 -0.74 0.00 0.00 36.82 39.45 1auw h ILE 194 CO 0.00 0.74 -0.18 -3.20 0.00 0.00 0.00 178.15 175.52 1auw n ASN 195 N -3.29 4.88 -3.96 1.72 5.15 -1.00 -4.76 115.26 114.00 1auw n ASN 195 Ca 0.01 -2.36 -0.29 0.00 -0.60 0.00 0.00 54.58 51.34 1auw n ASN 195 Cb 0.84 -1.19 -0.16 0.00 -0.53 0.00 0.00 39.78 38.74 1auw n ASN 195 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1auw s VAL 196 N 0.70 1.39 -0.10 3.44 1.01 -1.26 -1.95 120.40 123.63 1auw s VAL 196 Ca 0.34 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 1auw s VAL 196 Cb 0.16 -1.42 -0.07 0.00 0.00 0.00 0.00 36.38 35.05 1auw s VAL 196 CO 0.00 0.29 2.05 -0.22 0.00 0.00 0.00 175.10 177.21 1auw s LEU 197 N 1.53 3.93 0.03 3.92 2.96 0.22 -4.69 118.68 126.58 1auw s LEU 197 Ca 0.02 2.22 0.22 0.00 -0.22 0.00 0.00 54.13 56.37 1auw s LEU 197 Cb -0.14 -3.52 -0.18 0.00 0.50 0.00 0.00 46.19 42.84 1auw s LEU 197 CO -0.09 -1.49 0.75 -0.81 -1.32 0.00 0.00 176.35 173.40 1auw n PRO 198 N 8.11 0.46 -1.77 0.98 -0.04 -1.26 -0.86 135.00 140.62 1auw n PRO 198 Ca 0.24 -0.08 -0.41 0.00 -0.04 0.00 0.00 63.50 63.21 1auw n PRO 198 Cb 0.43 -1.58 -0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1auw n PRO 198 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1auw n LEU 199 N -2.13 4.74 0.00 1.53 7.94 -1.26 -3.13 117.00 124.68 1auw n LEU 199 Ca -0.01 1.22 0.00 0.00 -1.11 0.00 0.00 56.01 56.12 1auw n LEU 199 Cb 0.50 -1.62 0.00 0.00 0.53 0.00 0.00 43.42 42.83 1auw n LEU 199 CO 0.43 0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.47 1auw n GLY 200 N 0.57 0.95 0.00 -3.96 0.00 -1.26 -4.98 105.19 96.51 1auw n GLY 200 Ca 0.02 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.05 1auw n GLY 200 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1auw n SER 201 N 0.15 0.89 0.00 1.61 7.64 -1.18 -3.20 113.62 119.52 1auw n SER 201 Ca 0.00 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 58.97 1auw n SER 201 Cb 0.00 1.04 0.00 0.00 -1.01 0.00 0.00 64.21 64.24 1auw n SER 201 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1auw n GLY 202 N 1.45 0.53 0.22 0.23 0.00 -1.21 -0.70 105.19 105.71 1auw n GLY 202 Ca 0.03 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 1auw n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1auw h ALA 203 N -0.73 0.80 0.00 4.61 0.00 -1.90 -3.29 119.26 118.76 1auw h ALA 203 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1auw h ALA 203 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1auw h ALA 203 CO 0.00 0.66 0.00 1.47 0.00 0.00 0.00 179.25 181.38 1auw n LEU 204 N -4.00 0.00 -0.07 0.00 -0.00 -1.22 -4.86 117.00 106.84 1auw n LEU 204 Ca -0.02 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.13 1auw n LEU 204 Cb 0.55 0.00 0.58 0.00 -0.00 0.00 0.00 43.42 44.55 1auw n LEU 204 CO 0.46 0.00 0.85 0.00 -0.00 0.00 0.00 177.39 178.69 1auw n ALA 205 N -0.29 2.77 0.00 1.47 0.00 -1.26 -2.92 120.51 120.28 1auw n ALA 205 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1auw n ALA 205 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1auw n ALA 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1auw n GLY 206 N 1.34 -0.03 3.61 0.00 0.00 0.13 -4.92 105.19 105.32 1auw n GLY 206 Ca 0.12 -2.27 -0.37 0.00 0.00 0.00 0.00 46.02 43.50 1auw n GLY 206 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1auw s ASN 207 N -4.00 5.93 0.00 1.61 3.84 -1.19 -3.34 114.94 117.79 1auw s ASN 207 Ca 0.00 0.04 0.23 0.00 0.21 0.00 0.00 52.86 53.33 1auw s ASN 207 Cb 0.00 -2.07 1.10 0.00 -0.55 0.00 0.00 41.25 39.73 1auw s ASN 207 CO 0.00 0.03 1.74 -0.81 -2.79 0.00 0.00 177.10 175.27 1auw n PRO 208 N 4.50 0.24 -0.22 0.43 -0.04 -1.26 -3.75 135.00 134.90 1auw n PRO 208 Ca -0.15 0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.50 1auw n PRO 208 Cb 0.52 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.74 1auw n PRO 208 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1auw n LEU 209 N -1.34 2.93 -3.79 1.53 4.77 -1.26 -4.93 117.00 114.92 1auw n LEU 209 Ca 0.09 -1.37 -0.27 0.00 -0.03 0.00 0.00 56.01 54.43 1auw n LEU 209 Cb 0.20 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1auw n LEU 209 CO 0.18 0.69 0.11 -0.67 -1.33 0.00 0.00 177.39 176.37 1auw n ASP 210 N 1.12 -4.43 -4.76 -1.43 2.03 -1.25 -4.92 116.55 102.91 1auw n ASP 210 Ca 0.19 -0.73 -0.33 0.00 0.52 0.00 0.00 54.79 54.44 1auw n ASP 210 Cb 0.49 -4.22 0.06 0.00 -0.72 0.00 0.00 41.12 36.73 1auw n ASP 210 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1auw s ILE 211 N -3.37 3.16 -0.75 5.18 2.07 -1.26 -4.96 121.20 121.27 1auw s ILE 211 Ca 0.51 0.52 -0.23 0.00 -1.41 0.00 0.00 60.65 60.04 1auw s ILE 211 Cb -0.25 -3.03 0.07 0.00 0.13 0.00 0.00 42.46 39.38 1auw s ILE 211 CO 0.80 -0.35 1.10 -0.62 -1.91 0.00 0.00 174.94 173.95 1auw s ASP 212 N -2.63 6.26 0.41 4.50 -1.08 -1.26 -4.86 116.67 118.01 1auw s ASP 212 Ca 0.67 -1.06 0.21 0.00 -0.52 0.00 0.00 52.55 51.85 1auw s ASP 212 Cb -0.21 -2.46 0.86 0.00 -1.46 0.00 0.00 42.92 39.65 1auw s ASP 212 CO 0.44 -1.48 1.81 0.03 0.52 0.00 0.00 175.17 176.49 1auw h ARG 213 N 9.59 0.00 -0.42 4.34 3.08 -1.94 -2.67 114.38 126.36 1auw h ARG 213 Ca -0.18 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 1auw h ARG 213 Cb 1.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 1auw h ARG 213 CO 1.21 0.29 0.12 1.49 -1.07 0.00 0.00 179.97 182.02 1auw h GLU 214 N 0.00 0.66 -0.81 0.04 4.22 -1.99 0.37 114.58 117.08 1auw h GLU 214 Ca -0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 59.36 59.27 1auw h GLU 214 Cb 0.76 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1auw h GLU 214 CO 0.04 0.66 0.43 1.98 -2.18 0.00 0.00 179.01 179.94 1auw h MET 215 N 0.54 1.13 -0.62 1.92 4.05 -1.91 -1.24 114.93 118.80 1auw h MET 215 Ca 0.13 -0.14 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1auw h MET 215 Cb 0.29 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 1auw h MET 215 CO -0.00 0.84 0.27 -0.07 0.23 0.00 0.00 176.91 178.18 1auw h LEU 216 N 1.13 0.84 -0.35 3.39 3.38 -1.11 -0.75 115.31 121.83 1auw h LEU 216 Ca 0.28 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1auw h LEU 216 Cb 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1auw h LEU 216 CO -0.04 0.76 0.20 -0.09 0.09 0.00 0.00 178.44 179.35 1auw h ARG 217 N 0.86 0.48 -0.18 1.13 2.43 -0.33 -0.77 114.38 118.00 1auw h ARG 217 Ca 0.21 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1auw h ARG 217 Cb 0.17 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1auw h ARG 217 CO -0.02 0.38 0.11 1.03 -1.51 0.00 0.00 179.97 179.96 1auw h SER 218 N 0.44 0.21 -0.48 -3.80 0.87 -1.09 0.14 113.55 109.85 1auw h SER 218 Ca 0.12 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1auw h SER 218 Cb 0.03 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1auw h SER 218 CO -0.02 0.20 0.30 -0.33 -0.53 0.00 0.00 176.83 176.45 1auw h GLU 219 N 0.21 0.64 -0.00 2.24 4.39 -0.88 -2.66 114.58 118.52 1auw h GLU 219 Ca 0.06 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1auw h GLU 219 Cb 0.02 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1auw h GLU 219 CO -0.01 0.45 -0.11 1.28 -1.16 0.00 0.00 179.01 179.46 1auw n LEU 220 N -4.73 0.48 -2.68 1.33 4.77 -0.32 -4.94 117.00 110.92 1auw n LEU 220 Ca 0.02 0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 55.84 1auw n LEU 220 Cb 0.04 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1auw n LEU 220 CO 0.35 0.09 0.17 -0.62 -1.33 0.00 0.00 177.39 176.05 1auw n GLU 221 N -0.96 -5.53 -3.41 3.23 1.02 0.32 -5.03 120.64 110.29 1auw n GLU 221 Ca 0.14 0.58 -0.32 0.00 -0.02 0.00 0.00 57.16 57.55 1auw n GLU 221 Cb 0.28 -4.88 -0.05 0.00 -0.02 0.00 0.00 31.44 26.77 1auw n GLU 221 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1auw s PHE 222 N -3.23 3.43 0.21 -0.32 0.08 -0.16 -5.01 117.98 112.97 1auw s PHE 222 Ca 0.37 0.88 0.00 0.00 0.12 0.00 0.00 56.93 58.31 1auw s PHE 222 Cb -0.16 -2.27 0.16 0.00 -0.57 0.00 0.00 43.02 40.18 1auw s PHE 222 CO 0.51 0.27 1.52 0.00 -0.10 0.00 0.00 175.22 177.42 1auw h ALA 223 N 2.57 0.74 -3.45 5.36 0.00 -1.72 -3.43 119.26 119.33 1auw h ALA 223 Ca -0.47 -0.54 -0.17 0.00 0.00 0.00 0.00 54.91 53.74 1auw h ALA 223 Cb 1.17 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1auw h ALA 223 CO 0.69 0.71 -0.06 -1.13 0.00 0.00 0.00 179.25 179.46 1auw n SER 224 N -3.91 -1.03 -4.50 0.00 3.41 -1.14 -5.06 113.62 101.40 1auw n SER 224 Ca -0.03 -2.27 -0.31 0.00 -0.26 0.00 0.00 58.87 56.00 1auw n SER 224 Cb 0.62 1.88 -0.12 0.00 -0.26 0.00 0.00 64.21 66.34 1auw n SER 224 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1auw s ILE 225 N -2.65 3.01 0.33 -1.33 1.01 -1.26 -0.61 121.20 119.69 1auw s ILE 225 Ca 0.19 -1.19 -0.29 0.00 0.00 0.00 0.00 60.65 59.36 1auw s ILE 225 Cb -0.01 -2.31 -0.11 0.00 0.01 0.00 0.00 42.46 40.04 1auw s ILE 225 CO 0.13 0.27 1.46 -0.94 0.00 0.00 0.00 174.94 175.87 1auw s SER 226 N -1.66 6.50 0.12 3.58 1.04 -0.04 -4.77 113.70 118.47 1auw s SER 226 Ca 0.16 2.88 -0.08 0.00 0.48 0.00 0.00 55.95 59.39 1auw s SER 226 Cb -0.11 -2.65 -0.11 0.00 0.10 0.00 0.00 66.02 63.26 1auw s SER 226 CO 0.08 -0.77 1.31 -0.07 0.98 0.00 0.00 173.24 174.76 1auw h LEU 227 N 3.81 0.74 -7.72 2.42 4.07 -1.99 -3.46 115.31 113.19 1auw h LEU 227 Ca -0.49 -0.53 -0.39 0.00 0.08 0.00 0.00 57.88 56.55 1auw h LEU 227 Cb 1.23 -0.22 -0.34 0.00 1.08 0.00 0.00 40.66 42.41 1auw h LEU 227 CO 0.70 1.32 -0.76 0.21 -1.08 0.00 0.00 178.44 178.82 1auw s ASN 228 N -7.11 0.77 0.20 -0.43 3.84 -1.26 -5.06 114.94 105.88 1auw s ASN 228 Ca -0.08 -0.10 -0.11 0.00 0.21 0.00 0.00 52.86 52.78 1auw s ASN 228 Cb 0.09 -0.37 0.18 0.00 -0.55 0.00 0.00 41.25 40.60 1auw s ASN 228 CO 0.89 -0.06 1.82 0.77 -2.79 0.00 0.00 177.10 177.73 1auw h SER 229 N 7.11 0.57 -0.38 -4.21 4.64 -1.89 -0.30 113.55 119.09 1auw h SER 229 Ca -0.39 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 60.89 1auw h SER 229 Cb 1.15 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1auw h SER 229 CO 0.48 0.39 0.04 0.24 -0.87 0.00 0.00 176.83 177.11 1auw h MET 230 N 0.70 0.65 -0.18 4.77 2.86 -1.87 -2.48 114.93 119.38 1auw h MET 230 Ca 0.26 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1auw h MET 230 Cb 0.09 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1auw h MET 230 CO -0.14 0.72 0.00 0.22 1.06 0.00 0.00 176.91 178.78 1auw h ASP 231 N 0.49 0.31 -0.85 1.22 3.58 -1.87 -1.95 116.42 117.35 1auw h ASP 231 Ca 0.11 -0.31 0.09 0.00 0.42 0.00 0.00 57.03 57.35 1auw h ASP 231 Cb 0.40 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 41.31 1auw h ASP 231 CO 0.01 0.54 0.55 0.00 -2.88 0.00 0.00 179.24 177.46 1auw h ALA 232 N 0.78 1.68 0.02 -0.78 0.00 -1.02 0.25 119.26 120.19 1auw h ALA 232 Ca 0.05 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.71 1auw h ALA 232 Cb 0.38 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1auw h ALA 232 CO 0.01 0.15 -1.01 0.82 0.00 0.00 0.00 179.25 179.22 1auw h ILE 233 N 0.83 1.37 0.00 0.00 1.08 -1.34 -3.37 117.51 116.08 1auw h ILE 233 Ca 0.39 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.41 1auw h ILE 233 Cb 0.40 2.47 0.00 0.00 -3.07 0.00 0.00 36.82 36.62 1auw h ILE 233 CO -0.16 0.74 -1.12 -1.54 -0.69 0.00 0.00 178.15 175.38 1auw n SER 234 N -3.76 0.81 -4.75 1.72 3.41 -0.74 -4.90 113.62 105.41 1auw n SER 234 Ca -0.08 -0.72 -0.40 0.00 -0.26 0.00 0.00 58.87 57.40 1auw n SER 234 Cb 0.87 1.21 -0.06 0.00 -0.26 0.00 0.00 64.21 65.97 1auw n SER 234 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1auw s GLU 235 N -2.90 4.77 -0.14 4.33 4.04 0.85 -4.95 118.70 124.70 1auw s GLU 235 Ca 0.04 1.40 0.17 0.00 0.04 0.00 0.00 54.97 56.62 1auw s GLU 235 Cb 0.14 -3.29 0.43 0.00 0.02 0.00 0.00 34.13 31.43 1auw s GLU 235 CO 0.78 0.50 1.19 0.54 -1.84 0.00 0.00 175.26 176.43 1auw n ARG 236 N 1.67 1.17 -0.26 -4.83 5.12 -1.26 -4.83 116.66 113.43 1auw n ARG 236 Ca -0.02 -2.90 -0.04 0.00 -1.93 0.00 0.00 57.85 52.95 1auw n ARG 236 Cb 0.48 -1.07 0.07 0.00 -1.16 0.00 0.00 32.46 30.77 1auw n ARG 236 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1auw h ASP 237 N 1.18 0.78 -0.20 0.55 5.19 -1.98 -1.91 116.42 120.03 1auw h ASP 237 Ca -0.06 -0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.39 1auw h ASP 237 Cb 1.39 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 1auw h ASP 237 CO 0.10 0.55 0.20 2.19 -3.12 0.00 0.00 179.24 179.16 1auw h PHE 238 N 0.93 0.00 0.02 4.55 -0.00 -1.92 0.16 116.94 120.68 1auw h PHE 238 Ca 0.28 0.00 -0.07 0.00 -0.00 0.00 0.00 57.97 58.17 1auw h PHE 238 Cb -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 35.91 1auw h PHE 238 CO -0.03 0.00 -0.38 0.28 -0.00 0.00 0.00 178.31 178.18 1auw h VAL 239 N 0.00 1.57 -0.38 0.88 2.07 -1.75 -2.82 116.25 115.82 1auw h VAL 239 Ca 0.09 -2.34 0.04 0.00 0.82 0.00 0.00 66.70 65.31 1auw h VAL 239 Cb 0.48 3.13 -0.04 0.00 -1.52 0.00 0.00 31.29 33.35 1auw h VAL 239 CO -0.00 0.57 0.15 0.58 0.02 0.00 0.00 177.57 178.89 1auw h VAL 240 N -0.90 0.91 0.11 2.57 2.07 -0.78 -0.50 116.25 119.74 1auw h VAL 240 Ca -0.09 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1auw h VAL 240 Cb 1.16 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1auw h VAL 240 CO -0.02 0.06 -0.20 -0.33 0.02 0.00 0.00 177.57 177.10 1auw h GLU 241 N 0.32 -0.37 -0.58 1.57 5.08 -0.84 0.30 114.58 120.05 1auw h GLU 241 Ca 0.17 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.64 1auw h GLU 241 Cb 0.13 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 1auw h GLU 241 CO -0.16 -0.25 0.22 0.35 -1.00 0.00 0.00 179.01 178.17 1auw h PHE 242 N -0.38 0.38 -0.17 4.33 3.57 -1.20 0.21 116.94 123.69 1auw h PHE 242 Ca 0.02 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 1auw h PHE 242 Cb 0.40 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1auw h PHE 242 CO -0.19 0.10 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.60 1auw h LEU 243 N 0.40 0.34 -0.33 0.59 3.38 -0.67 0.68 115.31 119.70 1auw h LEU 243 Ca 0.29 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 1auw h LEU 243 Cb 0.34 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1auw h LEU 243 CO -0.29 0.65 -0.26 -1.28 0.09 0.00 0.00 178.44 177.35 1auw h SER 244 N 0.29 0.79 -0.22 -0.43 0.87 0.58 -0.75 113.55 114.68 1auw h SER 244 Ca 0.04 -0.45 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 1auw h SER 244 Cb 0.72 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1auw h SER 244 CO 0.05 1.07 0.11 0.15 -0.53 0.00 0.00 176.83 177.69 1auw h PHE 245 N 0.52 0.32 -0.56 2.24 3.57 -0.30 -2.49 116.94 120.24 1auw h PHE 245 Ca 0.06 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1auw h PHE 245 Cb 0.82 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 1auw h PHE 245 CO 0.07 0.31 0.22 0.00 -2.23 0.00 0.00 178.31 176.68 1auw h ALA 246 N 0.98 1.34 -0.22 2.41 0.00 -0.75 -1.98 119.26 121.03 1auw h ALA 246 Ca 0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1auw h ALA 246 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1auw h ALA 246 CO -0.01 0.50 -0.12 1.15 0.00 0.00 0.00 179.25 180.76 1auw h THR 247 N 0.80 1.31 -0.74 0.00 2.02 -0.91 -1.99 112.91 113.41 1auw h THR 247 Ca 0.19 -1.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.12 1auw h THR 247 Cb 0.16 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1auw h THR 247 CO -0.02 0.37 0.28 0.25 0.37 0.00 0.00 175.52 176.78 1auw h LEU 248 N 0.17 1.01 -0.85 2.58 6.46 -1.32 -0.51 115.31 122.85 1auw h LEU 248 Ca 0.05 -0.16 0.03 0.00 -0.12 0.00 0.00 57.88 57.68 1auw h LEU 248 Cb 0.63 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 40.25 1auw h LEU 248 CO 0.04 0.91 0.55 0.25 -0.62 0.00 0.00 178.44 179.56 1auw h LEU 249 N 1.07 0.91 -0.91 2.25 5.85 -1.28 -1.31 115.31 121.90 1auw h LEU 249 Ca 0.25 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 1auw h LEU 249 Cb 0.22 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1auw h LEU 249 CO -0.02 0.63 -0.53 0.24 -0.34 0.00 0.00 178.44 178.42 1auw h MET 250 N 1.07 0.00 -0.47 1.25 2.86 -0.56 -2.16 114.93 116.91 1auw h MET 250 Ca 0.34 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.95 1auw h MET 250 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1auw h MET 250 CO -0.11 0.53 0.19 0.82 1.06 0.00 0.00 176.91 179.39 1auw h ILE 251 N 0.00 1.21 -0.24 -1.22 1.08 -0.03 0.23 117.51 118.55 1auw h ILE 251 Ca -0.01 -0.65 -0.00 0.00 -0.39 0.00 0.00 64.86 63.81 1auw h ILE 251 Cb 0.97 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 1auw h ILE 251 CO 0.07 0.24 0.13 0.45 -0.69 0.00 0.00 178.15 178.35 1auw h HIS 252 N 0.62 0.32 -0.36 1.37 3.86 -1.08 -1.85 115.15 118.03 1auw h HIS 252 Ca 0.16 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 1auw h HIS 252 Cb 0.20 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1auw h HIS 252 CO 0.00 0.27 0.06 -0.07 0.86 0.00 0.00 177.93 179.06 1auw h LEU 253 N 0.28 0.49 -1.22 2.43 3.38 -1.11 -0.87 115.31 118.68 1auw h LEU 253 Ca 0.08 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1auw h LEU 253 Cb 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1auw h LEU 253 CO -0.01 0.51 -0.38 0.77 0.09 0.00 0.00 178.44 179.41 1auw h SER 254 N 0.52 0.00 -0.03 -0.43 4.64 -0.04 0.17 113.55 118.39 1auw h SER 254 Ca 0.12 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.19 1auw h SER 254 Cb 0.24 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1auw h SER 254 CO 0.00 0.38 -0.97 0.50 -0.87 0.00 0.00 176.83 175.87 1auw h LYS 255 N 0.00 0.70 -0.29 4.77 3.64 -0.58 -1.45 116.57 123.37 1auw h LYS 255 Ca -0.00 -0.72 -0.04 0.00 -1.27 0.00 0.00 60.65 58.61 1auw h LYS 255 Cb 0.70 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1auw h LYS 255 CO 0.05 1.30 0.02 1.98 -2.27 0.00 0.00 179.45 180.54 1auw h MET 256 N 0.39 0.50 -0.72 1.90 4.05 -0.76 -1.83 114.93 118.46 1auw h MET 256 Ca -0.11 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 1auw h MET 256 Cb 1.62 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 32.34 1auw h MET 256 CO 0.19 0.63 0.46 0.00 0.23 0.00 0.00 176.91 178.43 1auw h ALA 257 N 0.85 0.91 -0.75 0.39 0.00 -0.68 -1.28 119.26 118.69 1auw h ALA 257 Ca 0.09 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1auw h ALA 257 Cb 0.39 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1auw h ALA 257 CO 0.01 0.35 0.44 1.49 0.00 0.00 0.00 179.25 181.55 1auw h GLU 258 N 0.98 0.79 0.30 0.00 4.57 -1.04 -0.51 114.58 119.67 1auw h GLU 258 Ca 0.26 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 1auw h GLU 258 Cb -0.09 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.33 1auw h GLU 258 CO -0.05 0.52 -0.15 -0.44 -1.18 0.00 0.00 179.01 177.71 1auw h ASP 259 N 0.81 -0.35 -0.67 1.04 3.32 -0.57 -2.65 116.42 117.35 1auw h ASP 259 Ca 0.33 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.24 1auw h ASP 259 Cb 0.17 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1auw h ASP 259 CO -0.17 -0.03 0.45 -0.07 -1.72 0.00 0.00 179.24 177.69 1auw h LEU 260 N -0.69 0.76 -0.49 1.55 3.38 -1.08 0.00 115.31 118.75 1auw h LEU 260 Ca -0.04 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1auw h LEU 260 Cb 0.48 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1auw h LEU 260 CO 0.07 0.55 0.03 0.40 0.09 0.00 0.00 178.44 179.58 1auw h ILE 261 N 0.90 1.26 -0.28 1.22 2.04 -1.10 -0.56 117.51 120.99 1auw h ILE 261 Ca 0.25 -1.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 1auw h ILE 261 Cb -0.08 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1auw h ILE 261 CO -0.06 0.36 -0.11 0.40 0.00 0.00 0.00 178.15 178.74 1auw h ILE 262 N 0.70 1.29 0.00 -0.67 2.04 -1.09 -3.04 117.51 116.74 1auw h ILE 262 Ca 0.14 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 1auw h ILE 262 Cb 0.47 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1auw h ILE 262 CO 0.02 0.37 -0.03 1.88 0.00 0.00 0.00 178.15 180.40 1auw h TYR 263 N 0.30 0.00 -0.23 1.37 -1.99 -0.87 -2.29 116.97 113.27 1auw h TYR 263 Ca 0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1auw h TYR 263 Cb 0.61 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.34 1auw h TYR 263 CO 0.06 0.03 0.00 -1.13 -0.00 0.00 0.00 178.16 177.11 1auw n SER 264 N -3.17 2.46 -4.76 3.88 3.41 -0.23 -1.80 113.62 113.41 1auw n SER 264 Ca -0.01 -1.83 -0.33 0.00 -0.26 0.00 0.00 58.87 56.44 1auw n SER 264 Cb 0.23 -0.14 0.07 0.00 -0.26 0.00 0.00 64.21 64.11 1auw n SER 264 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1auw s THR 265 N -1.71 3.05 0.05 6.66 -4.23 -0.86 -4.73 115.64 113.86 1auw s THR 265 Ca 0.35 0.46 0.33 0.00 -1.18 0.00 0.00 61.69 61.64 1auw s THR 265 Cb 0.20 -2.96 0.38 0.00 1.34 0.00 0.00 72.50 71.46 1auw s THR 265 CO 0.29 -0.33 1.96 0.77 -0.54 0.00 0.00 174.62 176.77 1auw h SER 266 N -0.31 0.00 -0.29 3.99 4.64 -1.91 0.32 113.55 119.98 1auw h SER 266 Ca -0.46 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.75 1auw h SER 266 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 1auw h SER 266 CO 0.52 0.00 -0.24 -0.33 -0.87 0.00 0.00 176.83 175.92 1auw h GLU 267 N 0.00 0.68 0.00 4.77 3.07 -1.91 -3.32 114.58 117.86 1auw h GLU 267 Ca 0.00 -0.34 -0.10 0.00 -0.50 0.00 0.00 59.36 58.43 1auw h GLU 267 Cb 0.49 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 1auw h GLU 267 CO 0.00 0.94 -0.56 0.74 -1.40 0.00 0.00 179.01 178.73 1auw h PHE 268 N 0.42 0.00 -2.11 4.33 -1.00 -1.70 -3.49 116.94 113.39 1auw h PHE 268 Ca 0.05 0.00 -0.38 0.00 2.81 0.00 0.00 57.97 60.46 1auw h PHE 268 Cb 0.79 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.29 1auw h PHE 268 CO 0.07 1.05 -0.44 0.41 -1.61 0.00 0.00 178.31 177.79 1auw n GLY 269 N 1.55 0.28 0.12 -1.45 0.00 0.11 -4.89 105.19 100.91 1auw n GLY 269 Ca -0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 1auw n GLY 269 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1auw h PHE 270 N 0.00 0.00 -3.02 1.61 0.04 -1.61 -3.43 116.94 110.54 1auw h PHE 270 Ca -0.42 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.41 1auw h PHE 270 Cb 1.29 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.39 1auw h PHE 270 CO 0.50 0.67 0.22 -0.48 -0.60 0.00 0.00 178.31 178.62 1auw s LEU 271 N -6.77 -0.25 -0.01 1.54 0.05 -1.18 -0.07 118.68 111.98 1auw s LEU 271 Ca 0.02 -0.61 -0.01 0.00 0.05 0.00 0.00 54.13 53.58 1auw s LEU 271 Cb 0.10 2.70 0.01 0.00 -2.05 0.00 0.00 46.19 46.95 1auw s LEU 271 CO 0.76 -1.34 0.03 -0.89 -0.55 0.00 0.00 176.35 174.37 1auw s THR 272 N -3.92 -0.01 0.76 5.48 2.01 0.39 -4.33 115.64 116.02 1auw s THR 272 Ca 0.11 0.04 -0.11 0.00 0.31 0.00 0.00 61.69 62.04 1auw s THR 272 Cb -0.06 -0.06 0.04 0.00 0.01 0.00 0.00 72.50 72.43 1auw s THR 272 CO 0.07 0.02 1.09 -1.81 -0.69 0.00 0.00 174.62 173.29 1auw s ASP 273 N 0.23 4.90 0.76 3.53 1.11 -1.26 -0.98 116.67 124.97 1auw s ASP 273 Ca -0.02 1.30 -0.11 0.00 0.18 0.00 0.00 52.55 53.90 1auw s ASP 273 Cb -0.03 -2.08 0.05 0.00 1.07 0.00 0.00 42.92 41.93 1auw s ASP 273 CO -0.01 -1.71 1.08 -0.55 1.18 0.00 0.00 175.17 175.17 1auw s SER 274 N -4.02 4.81 0.35 0.27 0.15 -1.26 -4.82 113.70 109.19 1auw s SER 274 Ca 0.60 1.40 0.08 0.00 0.70 0.00 0.00 55.95 58.73 1auw s SER 274 Cb -0.13 -2.19 0.65 0.00 -1.71 0.00 0.00 66.02 62.64 1auw s SER 274 CO 0.54 -1.78 1.84 0.44 1.20 0.00 0.00 173.24 175.47 1auw h ASP 275 N -0.96 0.28 0.88 5.45 3.32 -1.92 -2.35 116.42 121.12 1auw h ASP 275 Ca -0.46 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.51 1auw h ASP 275 Cb 1.25 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1auw h ASP 275 CO 0.59 0.49 -0.05 0.00 -1.72 0.00 0.00 179.24 178.55 1auw h ALA 276 N 1.54 1.03 -0.18 3.45 0.00 -1.99 -3.20 119.26 119.90 1auw h ALA 276 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1auw h ALA 276 Cb 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1auw h ALA 276 CO 0.03 0.07 -0.01 1.19 0.00 0.00 0.00 179.25 180.53 1auw n PHE 277 N -3.19 0.63 -3.86 0.00 3.72 -0.90 -5.03 117.46 108.83 1auw n PHE 277 Ca 0.00 -0.95 -0.09 0.00 -0.05 0.00 0.00 57.45 56.36 1auw n PHE 277 Cb 0.31 -0.27 -0.05 0.00 -0.94 0.00 0.00 39.48 38.53 1auw n PHE 277 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1auw s SER 278 N -2.28 -0.15 -0.08 4.37 1.04 -1.13 -3.29 113.70 112.17 1auw s SER 278 Ca 0.39 -0.69 0.04 0.00 0.48 0.00 0.00 55.95 56.18 1auw s SER 278 Cb 0.32 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 67.00 1auw s SER 278 CO 0.06 -1.06 -0.23 0.42 0.98 0.00 0.00 173.24 173.42 1auw s THR 279 N -3.93 1.95 0.00 2.02 -4.23 -0.57 -4.88 115.64 106.00 1auw s THR 279 Ca 0.14 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1auw s THR 279 Cb -0.00 -1.68 0.00 0.00 1.34 0.00 0.00 72.50 72.15 1auw s THR 279 CO 0.01 0.54 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 1auw n GLY 280 N 3.38 4.33 2.97 3.99 0.00 -1.26 -0.58 105.19 118.02 1auw n GLY 280 Ca -0.19 -2.14 -0.14 0.00 0.00 0.00 0.00 46.02 43.55 1auw n GLY 280 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1auw s SER 281 N -0.56 0.56 0.31 1.61 0.15 -1.14 -5.00 113.70 109.63 1auw s SER 281 Ca 0.00 -0.21 0.12 0.00 0.70 0.00 0.00 55.95 56.56 1auw s SER 281 Cb 0.00 -0.03 0.49 0.00 -1.71 0.00 0.00 66.02 64.77 1auw s SER 281 CO 0.00 -0.03 1.68 0.77 1.20 0.00 0.00 173.24 176.87 1auw h SER 282 N 5.61 0.00 1.22 5.45 4.64 -1.98 -2.77 113.55 125.73 1auw h SER 282 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1auw h SER 282 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1auw h SER 282 CO 0.48 0.53 -0.76 -0.07 -0.87 0.00 0.00 176.83 176.14 1auw h LEU 283 N 0.00 0.00 -6.67 5.97 3.38 -2.03 -3.40 115.31 112.56 1auw h LEU 283 Ca -0.01 -0.01 -0.59 0.00 0.09 0.00 0.00 57.88 57.36 1auw h LEU 283 Cb 0.95 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.31 1auw h LEU 283 CO 0.07 0.00 -0.83 -0.04 0.09 0.00 0.00 178.44 177.73 1auw s MET 284 N -3.32 0.94 0.61 1.13 -1.94 -1.08 -4.99 119.30 110.64 1auw s MET 284 Ca 0.01 -1.81 0.37 0.00 -1.71 0.00 0.00 55.69 52.56 1auw s MET 284 Cb 0.09 -1.73 1.94 0.00 2.01 0.00 0.00 34.83 37.14 1auw s MET 284 CO 0.76 -1.24 2.22 -1.00 -0.01 0.00 0.00 175.02 175.74 1auw h PRO 285 N 6.52 0.00 -0.19 2.03 0.13 -1.73 -2.71 132.00 136.05 1auw h PRO 285 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1auw h PRO 285 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1auw h PRO 285 CO 0.37 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.17 1auw n GLN 286 N -3.27 2.20 -3.00 0.86 -0.00 -1.26 -4.81 117.38 108.10 1auw n GLN 286 Ca -0.02 -1.79 -0.44 0.00 -0.00 0.00 0.00 57.00 54.75 1auw n GLN 286 Cb 0.16 -1.47 -0.04 0.00 -0.00 0.00 0.00 30.24 28.89 1auw n GLN 286 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1auw s LYS 287 N -1.77 3.16 -0.45 2.61 2.20 -1.03 -5.00 119.74 119.45 1auw s LYS 287 Ca 0.34 -1.24 -0.10 0.00 -0.36 0.00 0.00 55.97 54.61 1auw s LYS 287 Cb 0.21 -4.34 0.10 0.00 -1.51 0.00 0.00 37.83 32.29 1auw s LYS 287 CO 0.30 -1.67 0.32 0.15 -0.36 0.00 0.00 175.35 174.10 1auw s LYS 288 N 3.10 2.60 -0.14 4.03 1.02 -1.26 -3.93 119.74 125.15 1auw s LYS 288 Ca 0.18 -1.61 -0.29 0.00 0.02 0.00 0.00 55.97 54.27 1auw s LYS 288 Cb -0.19 -3.91 -0.01 0.00 -0.52 0.00 0.00 37.83 33.21 1auw s LYS 288 CO 0.05 -1.09 1.07 -0.80 -0.92 0.00 0.00 175.35 173.66 1auw s ASN 289 N 2.51 7.14 -1.24 2.83 0.01 0.25 -4.87 114.94 121.56 1auw s ASN 289 Ca 0.04 1.54 -0.08 0.00 -0.71 0.00 0.00 52.86 53.66 1auw s ASN 289 Cb -0.25 -2.55 -0.08 0.00 0.41 0.00 0.00 41.25 38.78 1auw s ASN 289 CO 0.01 -0.57 2.64 -0.81 -1.51 0.00 0.00 177.10 176.87 1auw n PRO 290 N 5.60 2.94 -0.27 -0.60 -0.04 -1.26 -1.52 135.00 139.86 1auw n PRO 290 Ca 0.11 -1.82 0.05 0.00 -0.04 0.00 0.00 63.50 61.80 1auw n PRO 290 Cb 0.47 -2.60 0.19 0.00 -0.04 0.00 0.00 33.50 31.52 1auw n PRO 290 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1auw h ASP 291 N 5.41 0.37 -0.42 3.54 5.19 -1.92 -2.00 116.42 126.58 1auw h ASP 291 Ca 0.68 0.10 0.03 0.00 -0.62 0.00 0.00 57.03 57.23 1auw h ASP 291 Cb 0.30 0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.82 1auw h ASP 291 CO 1.55 0.15 0.21 0.77 -3.12 0.00 0.00 179.24 178.81 1auw h SER 292 N 0.51 0.30 -0.24 6.45 4.64 -1.84 -1.84 113.55 121.53 1auw h SER 292 Ca 0.42 0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.65 1auw h SER 292 Cb 0.61 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1auw h SER 292 CO -0.38 0.22 -0.25 -0.07 -0.87 0.00 0.00 176.83 175.48 1auw h LEU 293 N 0.42 0.74 -0.74 5.97 3.38 -1.67 -2.09 115.31 121.32 1auw h LEU 293 Ca 0.18 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1auw h LEU 293 Cb 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1auw h LEU 293 CO -0.13 0.96 -0.41 -0.33 0.09 0.00 0.00 178.44 178.62 1auw h GLU 294 N 0.63 0.48 -0.21 1.13 5.08 -1.18 -0.63 114.58 119.88 1auw h GLU 294 Ca 0.08 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1auw h GLU 294 Cb 0.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1auw h GLU 294 CO 0.06 0.81 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.79 1auw h LEU 295 N 0.39 0.38 -0.38 1.33 3.38 -1.15 -1.41 115.31 117.86 1auw h LEU 295 Ca 0.03 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.70 1auw h LEU 295 Cb 0.89 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1auw h LEU 295 CO 0.08 0.62 0.20 0.40 0.09 0.00 0.00 178.44 179.82 1auw h ILE 296 N 0.13 0.99 -0.49 1.22 2.04 -1.23 -2.16 117.51 118.01 1auw h ILE 296 Ca 0.06 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.80 1auw h ILE 296 Cb 0.43 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1auw h ILE 296 CO 0.01 0.07 0.30 -0.09 0.00 0.00 0.00 178.15 178.44 1auw h ARG 297 N 0.40 0.58 0.00 2.37 2.43 -0.96 -2.52 114.38 116.68 1auw h ARG 297 Ca 0.16 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1auw h ARG 297 Cb 0.06 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1auw h ARG 297 CO -0.11 0.38 -0.12 0.66 -1.51 0.00 0.00 179.97 179.28 1auw h SER 298 N 0.59 0.00 0.47 -3.80 4.64 -0.91 -2.53 113.55 112.02 1auw h SER 298 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1auw h SER 298 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1auw h SER 298 CO -0.08 0.12 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 1auw n LYS 299 N -3.46 0.06 -0.03 4.77 4.76 -0.85 -2.70 118.16 120.71 1auw n LYS 299 Ca -0.01 0.21 -0.13 0.00 -2.87 0.00 0.00 58.31 55.51 1auw n LYS 299 Cb 0.28 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.88 1auw n LYS 299 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1auw h ALA 300 N 2.59 0.06 -0.46 7.82 0.00 -1.55 -1.24 119.26 126.49 1auw h ALA 300 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1auw h ALA 300 Cb 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1auw h ALA 300 CO 0.00 -0.15 0.16 0.78 0.00 0.00 0.00 179.25 180.04 1auw h GLY 301 N -0.36 0.75 0.77 0.00 0.00 -1.70 0.92 103.07 103.45 1auw h GLY 301 Ca 0.01 -0.43 0.04 0.00 0.00 0.00 0.00 47.33 46.95 1auw h GLY 301 CO 0.01 0.41 0.33 -0.09 0.00 0.00 0.00 176.54 177.20 1auw h ARG 302 N 0.60 0.62 -0.26 4.80 2.43 -1.52 0.50 114.38 121.54 1auw h ARG 302 Ca 0.15 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.09 1auw h ARG 302 Cb 0.24 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1auw h ARG 302 CO -0.01 0.41 -0.60 0.28 -1.51 0.00 0.00 179.97 178.55 1auw h VAL 303 N 0.64 1.27 -0.66 0.20 2.07 -0.92 -3.12 116.25 115.73 1auw h VAL 303 Ca 0.25 -1.78 0.04 0.00 0.82 0.00 0.00 66.70 66.03 1auw h VAL 303 Cb 0.11 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1auw h VAL 303 CO -0.14 0.58 0.40 0.15 0.02 0.00 0.00 177.57 178.57 1auw h PHE 304 N 0.65 0.74 -0.84 1.57 3.57 -0.40 -1.58 116.94 120.66 1auw h PHE 304 Ca 0.00 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.65 1auw h PHE 304 Cb 1.21 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.65 1auw h PHE 304 CO 0.08 0.41 0.54 0.78 -2.23 0.00 0.00 178.31 177.89 1auw h GLY 305 N 0.77 1.08 1.40 2.40 0.00 -0.85 0.58 103.07 108.45 1auw h GLY 305 Ca 0.27 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 1auw h GLY 305 CO -0.12 0.12 -0.35 3.21 0.00 0.00 0.00 176.54 179.40 1auw h ARG 306 N 0.67 0.66 0.31 4.80 2.47 -1.26 -1.75 114.38 120.29 1auw h ARG 306 Ca 0.41 -0.32 -0.02 0.00 -1.26 0.00 0.00 59.98 58.79 1auw h ARG 306 Cb 0.63 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1auw h ARG 306 CO -0.17 0.92 -0.15 1.25 0.56 0.00 0.00 179.97 182.38 1auw h LEU 307 N 0.56 -0.36 -1.43 3.04 5.85 -0.59 -2.75 115.31 119.64 1auw h LEU 307 Ca 0.06 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1auw h LEU 307 Cb 0.86 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1auw h LEU 307 CO 0.07 -0.20 0.39 0.00 -0.34 0.00 0.00 178.44 178.37 1auw h ALA 308 N 0.18 1.61 -0.27 1.25 0.00 -1.15 -1.33 119.26 119.55 1auw h ALA 308 Ca -0.04 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1auw h ALA 308 Cb 0.37 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1auw h ALA 308 CO 0.07 0.35 -0.31 0.66 0.00 0.00 0.00 179.25 180.02 1auw h SER 309 N 0.77 0.75 -0.09 0.00 4.64 -1.23 -2.17 113.55 116.21 1auw h SER 309 Ca 0.23 -0.49 -0.15 0.00 -0.47 0.00 0.00 61.79 60.91 1auw h SER 309 Cb -0.03 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 1auw h SER 309 CO -0.05 1.08 -0.46 0.40 -0.87 0.00 0.00 176.83 176.93 1auw h ILE 310 N 0.43 1.30 -0.83 0.95 1.08 -1.27 -0.36 117.51 118.81 1auw h ILE 310 Ca 0.04 -1.66 -0.00 0.00 -0.39 0.00 0.00 64.86 62.85 1auw h ILE 310 Cb 0.89 1.60 -0.04 0.00 -3.07 0.00 0.00 36.82 36.20 1auw h ILE 310 CO 0.08 0.53 0.51 -0.07 -0.69 0.00 0.00 178.15 178.50 1auw h LEU 311 N 0.52 0.99 -0.55 1.44 3.38 -1.22 -2.07 115.31 117.80 1auw h LEU 311 Ca 0.03 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1auw h LEU 311 Cb 1.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1auw h LEU 311 CO 0.09 0.76 -0.46 -0.03 0.09 0.00 0.00 178.44 178.89 1auw h MET 312 N 1.13 0.65 -0.68 1.13 4.05 -1.15 -2.54 114.93 117.52 1auw h MET 312 Ca 0.30 -0.36 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 1auw h MET 312 Cb -0.06 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 1auw h MET 312 CO -0.06 0.97 0.36 0.28 0.23 0.00 0.00 176.91 178.69 1auw h VAL 313 N 0.52 1.21 0.00 -5.77 2.07 -0.59 -3.00 116.25 110.69 1auw h VAL 313 Ca 0.03 -0.55 -0.13 0.00 0.82 0.00 0.00 66.70 66.87 1auw h VAL 313 Cb 1.00 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1auw h VAL 313 CO 0.09 0.24 -0.83 -0.07 0.02 0.00 0.00 177.57 177.02 1auw h LEU 314 N 0.95 0.00 -9.21 2.57 3.38 -1.34 -3.44 115.31 108.22 1auw h LEU 314 Ca 0.24 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.62 1auw h LEU 314 Cb 0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1auw h LEU 314 CO -0.04 0.55 1.21 1.17 0.09 0.00 0.00 178.44 181.43 1auw n LYS 315 N -3.12 2.27 -1.04 1.13 0.00 -0.96 -2.31 118.16 114.13 1auw n LYS 315 Ca -0.02 0.80 -0.01 0.00 0.00 0.00 0.00 58.31 59.08 1auw n LYS 315 Cb 0.78 -2.81 -0.01 0.00 0.00 0.00 0.00 35.03 32.99 1auw n LYS 315 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1auw n GLY 316 N 4.78 0.50 3.69 3.14 0.00 -1.26 -5.02 105.19 111.02 1auw n GLY 316 Ca 0.24 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1auw n GLY 316 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1auw s LEU 317 N -0.28 4.25 0.90 0.99 1.43 -0.98 -5.05 118.68 119.95 1auw s LEU 317 Ca 0.00 1.58 -0.12 0.00 -1.03 0.00 0.00 54.13 54.56 1auw s LEU 317 Cb 0.00 -3.56 0.13 0.00 0.03 0.00 0.00 46.19 42.79 1auw s LEU 317 CO 0.00 -0.47 1.10 -2.16 0.23 0.00 0.00 176.35 175.05 1auw s PRO 318 N 2.05 1.26 0.52 1.29 0.04 -1.26 -5.01 135.00 133.89 1auw s PRO 318 Ca 0.50 0.68 -0.17 0.00 0.04 0.00 0.00 61.00 62.04 1auw s PRO 318 Cb -0.19 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 1auw s PRO 318 CO 0.19 -2.20 1.01 -1.12 0.04 0.00 0.00 177.00 174.92 1auw s SER 319 N -3.59 6.35 0.00 6.66 0.01 -1.26 -4.70 113.70 117.17 1auw s SER 319 Ca 0.63 1.72 0.00 0.00 1.31 0.00 0.00 55.95 59.62 1auw s SER 319 Cb -0.17 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1auw s SER 319 CO 0.56 -0.78 0.00 0.41 0.41 0.00 0.00 173.24 173.85 1auw n THR 320 N -1.50 0.00 -3.16 1.44 -1.04 -1.26 -5.03 114.28 103.73 1auw n THR 320 Ca 0.08 0.06 -0.36 0.00 -2.04 0.00 0.00 64.05 61.79 1auw n THR 320 Cb 0.53 -0.86 -0.06 0.00 -1.82 0.00 0.00 70.33 68.12 1auw n THR 320 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1auw s TYR 321 N -0.31 3.65 -0.09 -1.42 5.04 -1.26 -4.66 117.35 118.30 1auw s TYR 321 Ca 0.00 1.32 -0.10 0.00 -2.44 0.00 0.00 57.07 55.85 1auw s TYR 321 Cb 0.00 -2.56 0.02 0.00 0.35 0.00 0.00 41.96 39.77 1auw s TYR 321 CO 0.00 0.37 0.27 -0.80 -1.34 0.00 0.00 175.55 174.05 1auw s ASN 322 N -1.63 -0.26 0.04 4.32 0.01 -1.26 -5.03 114.94 111.13 1auw s ASN 322 Ca 0.41 0.46 0.06 0.00 -0.71 0.00 0.00 52.86 53.08 1auw s ASN 322 Cb -0.17 0.52 0.29 0.00 0.41 0.00 0.00 41.25 42.30 1auw s ASN 322 CO 0.21 -0.15 1.19 1.17 -1.51 0.00 0.00 177.10 178.01 1auw n LYS 323 N 2.67 0.02 0.12 -0.60 3.00 -1.26 -1.62 118.16 120.50 1auw n LYS 323 Ca -0.14 0.46 0.02 0.00 -0.00 0.00 0.00 58.31 58.65 1auw n LYS 323 Cb 0.58 -1.56 0.39 0.00 0.00 0.00 0.00 35.03 34.44 1auw n LYS 323 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1auw h ASP 324 N 0.00 0.21 0.00 3.14 5.19 -1.96 -2.96 116.42 120.04 1auw h ASP 324 Ca 0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1auw h ASP 324 Cb 0.06 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.52 1auw h ASP 324 CO 0.00 0.37 0.05 -0.07 -3.12 0.00 0.00 179.24 176.47 1auw h LEU 325 N 0.21 0.00 0.00 1.55 4.07 -1.66 -2.96 115.31 116.52 1auw h LEU 325 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1auw h LEU 325 Cb 0.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1auw h LEU 325 CO 0.02 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.38 1auw n GLN 326 N -2.47 0.05 0.00 1.13 10.64 -1.12 -2.85 117.38 122.76 1auw n GLN 326 Ca -0.02 0.16 0.08 0.00 -1.83 0.00 0.00 57.00 55.39 1auw n GLN 326 Cb 0.09 -1.50 0.38 0.00 -0.86 0.00 0.00 30.24 28.35 1auw n GLN 326 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1auw n GLU 327 N -1.46 0.12 -0.14 2.61 -0.58 -1.12 -3.66 120.64 116.41 1auw n GLU 327 Ca 0.05 0.18 -0.11 0.00 -0.42 0.00 0.00 57.16 56.86 1auw n GLU 327 Cb 0.21 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.57 1auw n GLU 327 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1auw h ASP 328 N 0.00 0.80 0.00 1.62 2.03 -1.80 -3.30 116.42 115.78 1auw h ASP 328 Ca 0.00 -0.36 0.01 0.00 -0.73 0.00 0.00 57.03 55.95 1auw h ASP 328 Cb 0.21 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 1auw h ASP 328 CO 0.00 0.97 -0.19 0.11 -1.03 0.00 0.00 179.24 179.10 1auw h LYS 329 N 0.62 -0.24 -0.84 4.15 1.57 -1.85 -1.56 116.57 118.42 1auw h LYS 329 Ca 0.11 0.02 0.24 0.00 -1.87 0.00 0.00 60.65 59.14 1auw h LYS 329 Cb 0.62 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 1auw h LYS 329 CO 0.04 -0.16 0.60 0.93 -0.57 0.00 0.00 179.45 180.29 1auw h GLU 330 N -0.25 0.04 -0.02 3.15 5.08 -1.83 -0.15 114.58 120.60 1auw h GLU 330 Ca 0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1auw h GLU 330 Cb 0.26 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1auw h GLU 330 CO -0.13 0.03 -0.01 0.00 -1.00 0.00 0.00 179.01 177.90 1auw h ALA 331 N 1.59 0.02 -0.19 3.43 0.00 -1.39 -2.10 119.26 120.63 1auw h ALA 331 Ca 0.41 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 1auw h ALA 331 Cb 1.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1auw h ALA 331 CO -0.02 -0.27 -0.68 -0.39 0.00 0.00 0.00 179.25 177.89 1auw h VAL 332 N -0.34 1.30 -0.49 0.00 -1.51 -0.41 -2.64 116.25 112.16 1auw h VAL 332 Ca 0.00 -1.91 0.04 0.00 -1.23 0.00 0.00 66.70 63.61 1auw h VAL 332 Cb 0.40 1.87 -0.04 0.00 -2.13 0.00 0.00 31.29 31.39 1auw h VAL 332 CO 0.00 0.60 0.24 -0.26 -1.23 0.00 0.00 177.57 176.93 1auw h PHE 333 N 0.53 0.45 0.04 5.19 0.04 -1.12 0.22 116.94 122.29 1auw h PHE 333 Ca -0.02 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1auw h PHE 333 Cb 1.28 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.30 1auw h PHE 333 CO 0.07 0.22 -0.02 0.22 -0.60 0.00 0.00 178.31 178.20 1auw h ASP 334 N 0.48 -0.05 -0.75 2.17 3.58 -1.36 -1.42 116.42 119.08 1auw h ASP 334 Ca 0.21 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1auw h ASP 334 Cb 0.12 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.15 1auw h ASP 334 CO -0.15 0.06 0.40 0.58 -2.88 0.00 0.00 179.24 177.25 1auw h VAL 335 N -0.15 1.23 -0.60 2.25 2.07 -1.11 0.54 116.25 120.48 1auw h VAL 335 Ca -0.01 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1auw h VAL 335 Cb 0.14 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1auw h VAL 335 CO 0.01 0.26 0.28 0.58 0.02 0.00 0.00 177.57 178.72 1auw h VAL 336 N 1.04 1.22 -0.24 2.57 2.07 -0.48 -0.41 116.25 122.01 1auw h VAL 336 Ca 0.26 -0.62 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 1auw h VAL 336 Cb 0.06 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1auw h VAL 336 CO -0.04 0.25 -0.36 0.44 0.02 0.00 0.00 177.57 177.88 1auw h ASP 337 N 0.82 0.56 0.07 0.57 3.32 -0.89 -2.44 116.42 118.42 1auw h ASP 337 Ca 0.20 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1auw h ASP 337 Cb 0.14 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1auw h ASP 337 CO -0.02 0.88 -0.03 0.74 -1.72 0.00 0.00 179.24 179.08 1auw h THR 338 N 0.45 1.20 -0.75 0.35 2.02 -0.48 -3.03 112.91 112.68 1auw h THR 338 Ca 0.05 -1.00 0.02 0.00 0.77 0.00 0.00 66.41 66.24 1auw h THR 338 Cb 0.84 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 69.06 1auw h THR 338 CO 0.07 0.25 0.48 -0.07 0.37 0.00 0.00 175.52 176.62 1auw h LEU 339 N -0.55 0.81 -0.76 2.58 3.38 -1.11 -1.13 115.31 118.53 1auw h LEU 339 Ca -0.01 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1auw h LEU 339 Cb 0.47 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1auw h LEU 339 CO 0.02 0.57 0.49 0.74 0.09 0.00 0.00 178.44 180.34 1auw h THR 340 N 0.96 1.14 0.06 0.22 2.02 -1.48 -0.91 112.91 114.92 1auw h THR 340 Ca 0.29 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1auw h THR 340 Cb -0.04 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 1auw h THR 340 CO -0.09 0.18 -0.03 0.00 0.37 0.00 0.00 175.52 175.95 1auw h ALA 341 N 1.30 -0.07 -0.87 6.16 0.00 -1.35 -3.15 119.26 121.27 1auw h ALA 341 Ca 0.29 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1auw h ALA 341 Cb -0.03 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1auw h ALA 341 CO -0.09 -0.21 0.57 0.28 0.00 0.00 0.00 179.25 179.80 1auw h VAL 342 N -0.74 1.06 -0.56 0.00 2.07 -1.17 -1.03 116.25 115.88 1auw h VAL 342 Ca -0.01 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 1auw h VAL 342 Cb 0.61 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1auw h VAL 342 CO 0.01 0.18 -0.01 -0.07 0.02 0.00 0.00 177.57 177.70 1auw h LEU 343 N 0.98 0.95 -0.79 2.57 3.38 -1.25 -0.59 115.31 120.55 1auw h LEU 343 Ca 0.37 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1auw h LEU 343 Cb 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1auw h LEU 343 CO -0.14 1.01 -0.32 1.56 0.09 0.00 0.00 178.44 180.64 1auw h GLN 344 N 0.89 0.54 -0.16 1.13 4.20 -1.22 -2.01 115.11 118.48 1auw h GLN 344 Ca 0.16 -0.24 -0.18 0.00 0.06 0.00 0.00 58.65 58.46 1auw h GLN 344 Cb 0.53 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.31 1auw h GLN 344 CO 0.03 0.80 -0.60 0.28 -0.67 0.00 0.00 178.83 178.67 1auw h VAL 345 N 0.46 1.31 -0.72 -0.54 2.07 -1.07 -2.84 116.25 114.92 1auw h VAL 345 Ca 0.05 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.73 1auw h VAL 345 Cb 0.79 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 1auw h VAL 345 CO 0.06 0.57 0.41 0.00 0.02 0.00 0.00 177.57 178.64 1auw h ALA 346 N 0.55 0.92 -0.67 1.67 0.00 -0.95 -1.23 119.26 119.55 1auw h ALA 346 Ca -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1auw h ALA 346 Cb 1.22 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1auw h ALA 346 CO 0.13 0.42 0.34 1.15 0.00 0.00 0.00 179.25 181.29 1auw h THR 347 N 0.99 1.22 -0.54 0.00 2.02 -1.40 -2.14 112.91 113.06 1auw h THR 347 Ca 0.26 -0.59 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1auw h THR 347 Cb 0.01 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 1auw h THR 347 CO -0.04 0.25 0.02 1.23 0.37 0.00 0.00 175.52 177.35 1auw h GLY 348 N 0.93 1.02 0.89 2.16 0.00 -1.21 -1.10 103.07 105.75 1auw h GLY 348 Ca 0.23 -0.74 0.03 0.00 0.00 0.00 0.00 47.33 46.85 1auw h GLY 348 CO -0.03 0.68 0.42 -2.08 0.00 0.00 0.00 176.54 175.53 1auw h VAL 349 N 0.83 1.10 -0.06 4.60 2.07 -0.97 -0.75 116.25 123.06 1auw h VAL 349 Ca 0.16 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1auw h VAL 349 Cb 0.51 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1auw h VAL 349 CO 0.02 0.15 -0.04 0.40 0.02 0.00 0.00 177.57 178.13 1auw h ILE 350 N 0.83 1.34 -0.26 4.57 1.08 -1.18 -2.22 117.51 121.68 1auw h ILE 350 Ca 0.27 -1.09 -0.05 0.00 -0.39 0.00 0.00 64.86 63.59 1auw h ILE 350 Cb 0.01 1.93 -0.01 0.00 -3.07 0.00 0.00 36.82 35.68 1auw h ILE 350 CO -0.10 0.30 -0.07 0.77 -0.69 0.00 0.00 178.15 178.36 1auw h SER 351 N -0.26 0.39 -0.47 1.72 4.64 -1.08 -3.25 113.55 115.23 1auw h SER 351 Ca 0.01 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1auw h SER 351 Cb 0.50 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1auw h SER 351 CO 0.01 0.50 0.00 0.35 -0.87 0.00 0.00 176.83 176.83 1auw n THR 352 N -4.27 0.99 -2.82 2.95 -2.24 -0.30 -5.00 114.28 103.60 1auw n THR 352 Ca 0.00 -0.99 -0.33 0.00 -2.27 0.00 0.00 64.05 60.46 1auw n THR 352 Cb 0.27 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 68.94 1auw n THR 352 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1auw s LEU 353 N -1.00 3.90 -0.18 3.22 0.05 -0.84 -4.05 118.68 119.78 1auw s LEU 353 Ca 0.31 1.55 -0.04 0.00 0.05 0.00 0.00 54.13 56.00 1auw s LEU 353 Cb 0.16 -4.40 -0.02 0.00 -2.05 0.00 0.00 46.19 39.88 1auw s LEU 353 CO 0.21 -0.37 -0.03 -1.10 -0.55 0.00 0.00 176.35 174.51 1auw s GLN 354 N -3.34 3.55 0.34 1.48 -1.52 -0.15 -4.97 119.66 115.06 1auw s GLN 354 Ca 0.59 -0.56 0.00 0.00 -1.95 0.00 0.00 55.36 53.44 1auw s GLN 354 Cb -0.09 -2.97 -0.03 0.00 -0.22 0.00 0.00 33.01 29.69 1auw s GLN 354 CO 0.18 0.05 0.54 0.96 -0.25 0.00 0.00 175.29 176.77 1auw s ILE 355 N 0.86 5.11 -0.57 1.08 -4.36 -1.26 -0.46 121.20 121.60 1auw s ILE 355 Ca -0.01 -0.44 -0.00 0.00 -0.26 0.00 0.00 60.65 59.94 1auw s ILE 355 Cb -0.15 -3.85 0.15 0.00 1.25 0.00 0.00 42.46 39.86 1auw s ILE 355 CO 0.02 -0.53 0.35 -0.55 0.24 0.00 0.00 174.94 174.47 1auw s SER 356 N -3.95 4.89 0.47 4.36 0.15 0.90 -4.92 113.70 115.61 1auw s SER 356 Ca 0.40 -2.86 0.15 0.00 0.70 0.00 0.00 55.95 54.34 1auw s SER 356 Cb -0.10 -1.77 1.12 0.00 -1.71 0.00 0.00 66.02 63.57 1auw s SER 356 CO 0.35 -0.33 2.04 0.11 1.20 0.00 0.00 173.24 176.62 1auw h LYS 357 N 6.89 0.25 0.60 5.44 1.57 -1.95 0.25 116.57 129.62 1auw h LYS 357 Ca -0.04 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1auw h LYS 357 Cb 0.94 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.19 1auw h LYS 357 CO 0.70 0.17 -0.29 0.93 -0.57 0.00 0.00 179.45 180.39 1auw h GLU 358 N 0.26 -0.77 -0.68 3.15 4.39 -1.96 -0.73 114.58 118.23 1auw h GLU 358 Ca 0.18 0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.90 1auw h GLU 358 Cb 0.39 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1auw h GLU 358 CO -0.04 -0.49 0.28 -0.91 -1.16 0.00 0.00 179.01 176.69 1auw h ASN 359 N -0.87 0.93 -0.45 1.42 4.21 -1.69 -0.35 115.58 118.79 1auw h ASN 359 Ca -0.08 -0.16 0.03 0.00 1.21 0.00 0.00 56.30 57.29 1auw h ASN 359 Cb 0.64 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.56 1auw h ASN 359 CO 0.13 0.84 0.25 0.24 -1.29 0.00 0.00 177.43 177.61 1auw h MET 360 N 0.96 0.49 -0.10 0.81 2.86 -0.88 -1.94 114.93 117.13 1auw h MET 360 Ca 0.23 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.70 1auw h MET 360 Cb 0.19 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1auw h MET 360 CO -0.02 0.32 -0.56 1.05 1.06 0.00 0.00 176.91 178.76 1auw h GLU 361 N 0.50 0.30 -0.73 1.72 4.11 -0.88 -2.97 114.58 116.64 1auw h GLU 361 Ca 0.18 -0.20 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1auw h GLU 361 Cb 0.05 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1auw h GLU 361 CO -0.10 0.79 0.43 0.87 0.07 0.00 0.00 179.01 181.06 1auw h LYS 362 N 0.23 0.99 0.00 1.06 1.79 -0.60 -1.99 116.57 118.04 1auw h LYS 362 Ca 0.00 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1auw h LYS 362 Cb 1.06 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1auw h LYS 362 CO 0.09 0.70 0.00 0.00 -1.08 0.00 0.00 179.45 179.16 1auw h ALA 363 N 1.47 1.00 -2.29 3.86 0.00 -1.19 -3.42 119.26 118.68 1auw h ALA 363 Ca 0.26 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.62 1auw h ALA 363 Cb -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1auw h ALA 363 CO -0.05 0.00 0.72 -0.51 0.00 0.00 0.00 179.25 179.41 1auw s LEU 364 N -5.73 4.27 0.21 0.00 2.01 -0.75 -4.86 118.68 113.83 1auw s LEU 364 Ca -0.03 1.80 0.10 0.00 0.01 0.00 0.00 54.13 56.01 1auw s LEU 364 Cb 0.11 -3.56 -0.04 0.00 0.01 0.00 0.00 46.19 42.71 1auw s LEU 364 CO 0.39 -0.60 -0.15 0.42 1.01 0.00 0.00 176.35 177.42 1auw s THR 365 N 2.35 2.82 0.30 5.49 -4.23 -1.26 -5.04 115.64 116.07 1auw s THR 365 Ca 0.56 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 1auw s THR 365 Cb -0.24 -2.41 0.28 0.00 1.34 0.00 0.00 72.50 71.47 1auw s THR 365 CO 0.21 -0.19 1.90 -0.65 -0.54 0.00 0.00 174.62 175.36 1auw h PRO 366 N 2.80 1.01 -0.80 3.99 0.11 -1.99 -2.30 132.00 134.81 1auw h PRO 366 Ca -0.45 -0.06 0.19 0.00 0.11 0.00 0.00 66.00 65.79 1auw h PRO 366 Cb 1.22 -0.23 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 1auw h PRO 366 CO 0.54 0.67 0.55 1.49 -0.21 0.00 0.00 178.00 181.03 1auw h GLU 367 N 1.04 0.27 0.00 1.05 4.81 -2.00 0.23 114.58 119.97 1auw h GLU 367 Ca 0.40 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1auw h GLU 367 Cb 0.23 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1auw h GLU 367 CO -0.16 0.18 0.00 0.52 -0.73 0.00 0.00 179.01 178.82 1auw h MET 368 N 0.28 0.00 -0.01 1.92 2.86 -1.73 -2.26 114.93 115.99 1auw h MET 368 Ca 0.40 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.04 1auw h MET 368 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1auw h MET 368 CO -0.11 0.00 -0.24 1.28 1.06 0.00 0.00 176.91 178.90 1auw n LEU 369 N -2.44 0.99 -0.33 1.22 4.77 0.79 -4.25 117.00 117.75 1auw n LEU 369 Ca 0.00 -0.24 0.06 0.00 -0.03 0.00 0.00 56.01 55.79 1auw n LEU 369 Cb 0.15 -0.13 0.21 0.00 -2.33 0.00 0.00 43.42 41.33 1auw n LEU 369 CO 0.17 0.18 1.19 0.00 -1.33 0.00 0.00 177.39 177.60 1auw h ALA 370 N 3.69 1.38 -0.60 -1.18 0.00 -1.51 0.24 119.26 121.28 1auw h ALA 370 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1auw h ALA 370 Cb 0.49 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1auw h ALA 370 CO 0.00 0.15 0.09 1.15 0.00 0.00 0.00 179.25 180.64 1auw h THR 371 N 0.89 1.25 0.00 0.00 2.02 -1.81 -2.33 112.91 112.92 1auw h THR 371 Ca 0.46 -0.97 -0.08 0.00 0.77 0.00 0.00 66.41 66.59 1auw h THR 371 Cb 0.47 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1auw h THR 371 CO -0.27 0.36 -0.37 0.44 0.37 0.00 0.00 175.52 176.05 1auw h ASP 372 N 0.91 0.00 -0.73 4.18 5.19 -1.26 -1.88 116.42 122.83 1auw h ASP 372 Ca 0.19 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.55 1auw h ASP 372 Cb 0.40 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.88 1auw h ASP 372 CO 0.01 0.37 0.27 0.25 -3.12 0.00 0.00 179.24 177.03 1auw h LEU 373 N 0.00 1.03 -0.43 1.55 5.85 -0.68 -0.67 115.31 121.97 1auw h LEU 373 Ca -0.00 -0.17 -0.17 0.00 0.84 0.00 0.00 57.88 58.38 1auw h LEU 373 Cb 0.68 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1auw h LEU 373 CO 0.05 0.93 -0.53 0.00 -0.34 0.00 0.00 178.44 178.55 1auw h ALA 374 N 1.21 0.60 -0.77 1.25 0.00 -1.15 -3.01 119.26 117.39 1auw h ALA 374 Ca 0.25 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1auw h ALA 374 Cb 0.24 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1auw h ALA 374 CO -0.02 0.68 0.46 -0.07 0.00 0.00 0.00 179.25 180.31 1auw h LEU 375 N 0.56 0.93 -0.80 0.00 3.38 -0.92 -1.05 115.31 117.40 1auw h LEU 375 Ca 0.02 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.03 1auw h LEU 375 Cb 1.10 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 1auw h LEU 375 CO 0.11 0.72 0.43 0.22 0.09 0.00 0.00 178.44 180.01 1auw h TYR 376 N 1.05 0.76 -0.38 1.13 3.20 -1.01 -0.00 116.97 121.72 1auw h TYR 376 Ca 0.28 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 62.03 1auw h TYR 376 Cb -0.03 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 1auw h TYR 376 CO -0.01 0.26 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.36 1auw h LEU 377 N 0.68 0.96 -0.63 2.82 4.07 -1.29 -2.85 115.31 119.07 1auw h LEU 377 Ca 0.41 -0.46 0.02 0.00 0.08 0.00 0.00 57.88 57.93 1auw h LEU 377 Cb 0.46 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.90 1auw h LEU 377 CO -0.29 1.22 0.40 0.58 -1.08 0.00 0.00 178.44 179.26 1auw h VAL 378 N 0.72 1.11 0.00 1.22 2.07 -0.08 -0.64 116.25 120.65 1auw h VAL 378 Ca 0.07 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1auw h VAL 378 Cb 0.93 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1auw h VAL 378 CO 0.09 0.15 0.00 0.03 0.02 0.00 0.00 177.57 177.85 1auw h ARG 379 N 0.80 0.00 0.00 1.57 3.08 -0.99 -1.55 114.38 117.30 1auw h ARG 379 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1auw h ARG 379 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1auw h ARG 379 CO -0.08 0.00 -0.39 1.63 -1.07 0.00 0.00 179.97 180.06 1auw n LYS 380 N -2.30 0.03 0.00 0.04 4.76 -0.32 -4.93 118.16 115.44 1auw n LYS 380 Ca 0.02 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1auw n LYS 380 Cb 0.21 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 1auw n LYS 380 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1auw n GLY 381 N 1.48 0.79 3.71 0.72 0.00 -0.58 -5.09 105.19 106.22 1auw n GLY 381 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1auw n GLY 381 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1auw s VAL 382 N -2.00 4.45 0.42 1.61 1.01 -0.76 -4.99 120.40 120.14 1auw s VAL 382 Ca 0.00 1.76 -0.25 0.00 0.00 0.00 0.00 61.98 63.48 1auw s VAL 382 Cb 0.00 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1auw s VAL 382 CO 0.00 0.12 1.22 -2.65 0.00 0.00 0.00 175.10 173.80 1auw n PRO 383 N 4.02 1.81 -0.16 2.72 -0.02 -1.26 -4.08 135.00 138.03 1auw n PRO 383 Ca 0.08 0.64 -0.06 0.00 -2.02 0.00 0.00 63.50 62.14 1auw n PRO 383 Cb 0.49 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1auw n PRO 383 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1auw h PHE 384 N 1.98 -0.87 -0.45 6.00 3.57 -1.95 -0.83 116.94 124.39 1auw h PHE 384 Ca -0.47 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.18 1auw h PHE 384 Cb 1.30 0.45 -0.07 0.00 2.79 0.00 0.00 35.95 40.42 1auw h PHE 384 CO 0.47 -0.37 0.00 -0.09 -2.23 0.00 0.00 178.31 176.09 1auw h ARG 385 N -0.20 0.11 -0.49 1.11 2.43 -2.00 -1.67 114.38 113.66 1auw h ARG 385 Ca 0.20 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1auw h ARG 385 Cb 0.54 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1auw h ARG 385 CO -0.60 0.07 0.03 1.96 -1.51 0.00 0.00 179.97 179.93 1auw h GLN 386 N 0.11 0.84 -0.07 0.20 4.20 -1.77 -2.71 115.11 115.92 1auw h GLN 386 Ca 0.23 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1auw h GLN 386 Cb 0.33 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1auw h GLN 386 CO -0.37 0.87 -0.08 0.00 -0.67 0.00 0.00 178.83 178.58 1auw h ALA 387 N 0.94 1.74 -0.12 3.87 0.00 -0.82 -1.57 119.26 123.31 1auw h ALA 387 Ca 0.14 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1auw h ALA 387 Cb 0.46 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1auw h ALA 387 CO 0.02 0.19 -0.18 1.25 0.00 0.00 0.00 179.25 180.53 1auw h HIS 388 N 0.10 0.42 -0.80 0.00 6.17 -1.08 -2.73 115.15 117.23 1auw h HIS 388 Ca 0.02 -0.14 -0.04 0.00 0.71 0.00 0.00 60.37 60.92 1auw h HIS 388 Cb 0.21 -0.08 -0.04 0.00 2.52 0.00 0.00 27.41 30.02 1auw h HIS 388 CO 0.00 0.78 0.33 1.79 0.71 0.00 0.00 177.93 181.54 1auw h THR 389 N -0.07 1.26 -0.75 6.26 1.35 -1.16 -2.03 112.91 117.77 1auw h THR 389 Ca 0.01 -0.81 0.03 0.00 -0.55 0.00 0.00 66.41 65.10 1auw h THR 389 Cb 0.74 0.30 -0.05 0.00 -1.73 0.00 0.00 68.15 67.41 1auw h THR 389 CO 0.04 0.33 0.47 0.00 -0.25 0.00 0.00 175.52 176.12 1auw h ALA 390 N 1.20 0.98 -0.68 6.62 0.00 -1.30 0.39 119.26 126.46 1auw h ALA 390 Ca 0.27 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1auw h ALA 390 Cb 0.20 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1auw h ALA 390 CO -0.02 0.27 0.15 0.77 0.00 0.00 0.00 179.25 180.41 1auw h SER 391 N 0.93 1.05 -0.74 0.00 0.02 -1.13 0.31 113.55 113.98 1auw h SER 391 Ca 0.30 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1auw h SER 391 Cb 0.01 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 1auw h SER 391 CO -0.11 1.02 0.22 1.23 -1.14 0.00 0.00 176.83 178.05 1auw h GLY 392 N 1.07 1.24 1.30 -3.77 0.00 -0.64 0.21 103.07 102.47 1auw h GLY 392 Ca 0.21 -0.74 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 1auw h GLY 392 CO 0.01 0.70 -0.04 0.50 0.00 0.00 0.00 176.54 177.70 1auw h LYS 393 N 1.10 0.85 -0.56 4.80 1.57 -0.54 0.44 116.57 124.22 1auw h LYS 393 Ca 0.24 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1auw h LYS 393 Cb 0.32 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1auw h LYS 393 CO -0.01 0.87 0.02 0.00 -0.57 0.00 0.00 179.45 179.76 1auw h ALA 394 N 1.17 0.97 0.03 3.86 0.00 -0.16 -0.96 119.26 124.17 1auw h ALA 394 Ca 0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1auw h ALA 394 Cb 0.53 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1auw h ALA 394 CO 0.03 0.63 -0.01 0.28 0.00 0.00 0.00 179.25 180.18 1auw h VAL 395 N 0.88 1.23 -0.17 0.00 2.07 -0.02 -2.33 116.25 117.92 1auw h VAL 395 Ca 0.17 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1auw h VAL 395 Cb 0.50 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1auw h VAL 395 CO 0.02 0.21 0.10 -0.74 0.02 0.00 0.00 177.57 177.19 1auw h HIS 396 N -0.39 0.19 -0.53 1.57 6.17 -0.86 -1.20 115.15 120.10 1auw h HIS 396 Ca -0.00 0.01 0.08 0.00 0.71 0.00 0.00 60.37 61.17 1auw h HIS 396 Cb 0.37 -0.06 -0.07 0.00 2.52 0.00 0.00 27.41 30.17 1auw h HIS 396 CO 0.05 0.12 0.15 1.25 0.71 0.00 0.00 177.93 180.21 1auw h LEU 397 N 0.21 0.11 -0.41 0.26 5.85 -1.22 0.32 115.31 120.43 1auw h LEU 397 Ca 0.06 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1auw h LEU 397 Cb -0.01 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1auw h LEU 397 CO -0.03 0.08 0.22 0.00 -0.34 0.00 0.00 178.44 178.38 1auw h ALA 398 N 1.38 0.52 0.03 1.25 0.00 -1.01 -0.91 119.26 120.52 1auw h ALA 398 Ca 0.26 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1auw h ALA 398 Cb 0.33 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1auw h ALA 398 CO -0.30 -0.13 -0.39 0.93 0.00 0.00 0.00 179.25 179.37 1auw h GLU 399 N 0.45 -0.54 -0.02 0.00 5.08 0.10 -0.05 114.58 119.59 1auw h GLU 399 Ca 0.17 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1auw h GLU 399 Cb 0.05 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1auw h GLU 399 CO -0.10 -0.36 0.03 1.79 -1.00 0.00 0.00 179.01 179.36 1auw h THR 400 N -0.56 0.54 -0.02 1.13 1.35 -0.65 0.02 112.91 114.71 1auw h THR 400 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 1auw h THR 400 Cb 0.63 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1auw h THR 400 CO -0.29 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.27 1auw n LYS 401 N -3.87 1.66 -1.80 4.72 5.02 -0.13 -4.93 118.16 118.83 1auw n LYS 401 Ca -0.02 -0.96 -0.15 0.00 -2.02 0.00 0.00 58.31 55.16 1auw n LYS 401 Cb 0.11 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 1auw n LYS 401 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1auw n GLY 402 N 1.17 0.76 3.10 0.72 0.00 -0.01 -5.00 105.19 105.94 1auw n GLY 402 Ca 0.19 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 1auw n GLY 402 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1auw n ILE 403 N -3.19 0.00 -3.90 -0.61 -5.35 -0.94 -5.04 119.36 100.33 1auw n ILE 403 Ca -0.16 -2.15 -0.22 0.00 -0.27 0.00 0.00 62.75 59.95 1auw n ILE 403 Cb 0.55 0.67 -0.02 0.00 -1.74 0.00 0.00 39.64 39.10 1auw n ILE 403 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1auw s THR 404 N -2.84 5.25 0.27 7.28 -4.23 -1.26 -4.19 115.64 115.92 1auw s THR 404 Ca 0.13 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1auw s THR 404 Cb 0.01 -3.85 0.26 0.00 1.34 0.00 0.00 72.50 70.26 1auw s THR 404 CO 0.09 -0.33 1.72 -0.29 -0.54 0.00 0.00 174.62 175.27 1auw h ILE 405 N 1.17 0.58 0.00 2.99 6.09 -1.90 0.13 117.51 126.57 1auw h ILE 405 Ca -0.51 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 62.82 1auw h ILE 405 Cb 1.22 0.08 0.00 0.00 0.47 0.00 0.00 36.82 38.60 1auw h ILE 405 CO 0.62 0.08 0.00 -0.46 -3.07 0.00 0.00 178.15 175.32 1auw n ASN 406 N -5.00 0.60 0.06 2.19 6.94 -1.26 -2.40 115.26 116.38 1auw n ASN 406 Ca 0.19 0.66 0.12 0.00 -0.02 0.00 0.00 54.58 55.53 1auw n ASN 406 Cb 0.54 -0.78 0.23 0.00 -2.36 0.00 0.00 39.78 37.40 1auw n ASN 406 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1auw n LYS 407 N -2.18 0.25 -1.77 -3.83 3.00 0.43 -4.90 118.16 109.17 1auw n LYS 407 Ca 0.02 0.09 -0.42 0.00 -0.00 0.00 0.00 58.31 58.00 1auw n LYS 407 Cb 0.21 -1.68 -0.03 0.00 0.00 0.00 0.00 35.03 33.53 1auw n LYS 407 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1auw s LEU 408 N -4.09 4.37 0.45 3.14 1.02 -1.01 -4.98 118.68 117.58 1auw s LEU 408 Ca 0.08 2.80 -0.15 0.00 0.02 0.00 0.00 54.13 56.87 1auw s LEU 408 Cb 0.14 -3.59 -0.08 0.00 0.02 0.00 0.00 46.19 42.68 1auw s LEU 408 CO 0.70 -0.95 0.90 -0.44 0.02 0.00 0.00 176.35 176.57 1auw s SER 409 N 1.45 6.65 0.47 2.29 0.01 -1.26 -4.88 113.70 118.44 1auw s SER 409 Ca 0.75 1.43 0.27 0.00 1.31 0.00 0.00 55.95 59.71 1auw s SER 409 Cb -0.48 -2.45 1.33 0.00 0.21 0.00 0.00 66.02 64.63 1auw s SER 409 CO 0.33 -0.47 1.80 -0.07 0.41 0.00 0.00 173.24 175.24 1auw h LEU 410 N 1.27 0.21 -0.11 2.44 3.38 -1.98 0.26 115.31 120.78 1auw h LEU 410 Ca -0.47 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.55 1auw h LEU 410 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1auw h LEU 410 CO 0.62 0.04 0.02 -0.33 0.09 0.00 0.00 178.44 178.89 1auw h GLU 411 N 0.19 0.07 -0.67 1.13 4.39 -1.99 0.17 114.58 117.86 1auw h GLU 411 Ca 0.55 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.17 1auw h GLU 411 Cb 1.81 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.41 1auw h GLU 411 CO -0.14 0.04 0.13 -0.44 -1.16 0.00 0.00 179.01 177.44 1auw h ASP 412 N 0.07 1.05 -0.11 1.42 3.32 -0.88 -2.64 116.42 118.65 1auw h ASP 412 Ca 0.05 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1auw h ASP 412 Cb 0.04 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 1auw h ASP 412 CO -0.06 1.03 0.02 -0.07 -1.72 0.00 0.00 179.24 178.44 1auw h LEU 413 N 1.02 0.17 -1.33 1.55 -0.00 -0.97 -3.09 115.31 112.66 1auw h LEU 413 Ca 0.21 -0.25 0.09 0.00 -0.00 0.00 0.00 57.88 57.93 1auw h LEU 413 Cb 0.42 -0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 40.98 1auw h LEU 413 CO 0.01 0.37 0.52 0.11 -0.00 0.00 0.00 178.44 179.45 1auw h LYS 414 N -0.05 0.74 0.00 1.13 1.79 -0.57 0.42 116.57 120.04 1auw h LYS 414 Ca 0.03 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1auw h LYS 414 Cb 0.27 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1auw h LYS 414 CO 0.00 0.49 -0.10 0.66 -1.08 0.00 0.00 179.45 179.42 1auw h SER 415 N 0.76 0.00 0.04 0.86 4.64 -1.39 -2.78 113.55 115.69 1auw h SER 415 Ca 0.36 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.52 1auw h SER 415 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1auw h SER 415 CO -0.14 0.10 -0.83 0.40 -0.87 0.00 0.00 176.83 175.50 1auw h ILE 416 N 0.00 1.30 -2.40 0.95 2.04 -0.97 -3.48 117.51 114.96 1auw h ILE 416 Ca -0.00 -2.33 -0.07 0.00 1.00 0.00 0.00 64.86 63.46 1auw h ILE 416 Cb 0.25 2.84 -0.24 0.00 -0.74 0.00 0.00 36.82 38.94 1auw h ILE 416 CO 0.01 0.55 -0.14 -0.55 0.00 0.00 0.00 178.15 178.03 1auw s SER 417 N -6.70 -0.65 0.43 1.72 0.15 -0.44 -5.02 113.70 103.19 1auw s SER 417 Ca -0.22 1.13 0.30 0.00 0.70 0.00 0.00 55.95 57.86 1auw s SER 417 Cb 0.02 1.05 1.42 0.00 -1.71 0.00 0.00 66.02 66.79 1auw s SER 417 CO 0.69 -0.20 1.90 -0.65 1.20 0.00 0.00 173.24 176.17 1auw h PRO 418 N 6.46 0.00 0.00 5.44 0.11 -1.84 -2.72 132.00 139.45 1auw h PRO 418 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1auw h PRO 418 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1auw h PRO 418 CO 0.21 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.04 1auw n GLN 419 N -2.61 0.02 -2.57 1.05 3.00 -1.26 -4.74 117.38 110.28 1auw n GLN 419 Ca -0.00 0.18 -0.41 0.00 -0.01 0.00 0.00 57.00 56.76 1auw n GLN 419 Cb 0.16 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 28.86 1auw n GLN 419 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1auw s PHE 420 N -2.97 3.64 0.25 1.08 0.08 -1.03 -5.00 117.98 114.04 1auw s PHE 420 Ca 0.09 1.63 0.02 0.00 0.12 0.00 0.00 56.93 58.80 1auw s PHE 420 Cb 0.12 -3.22 -0.04 0.00 -0.57 0.00 0.00 43.02 39.31 1auw s PHE 420 CO 0.33 -0.43 0.19 -1.12 -0.10 0.00 0.00 175.22 174.09 1auw s SER 421 N 0.00 0.71 0.31 1.36 0.01 -1.26 -4.82 113.70 110.01 1auw s SER 421 Ca 0.49 -1.52 0.08 0.00 1.31 0.00 0.00 55.95 56.31 1auw s SER 421 Cb -0.28 0.45 0.89 0.00 0.21 0.00 0.00 66.02 67.29 1auw s SER 421 CO 0.33 -0.93 1.65 0.28 0.41 0.00 0.00 173.24 174.99 1auw h SER 422 N 2.44 0.23 0.04 2.44 0.02 -2.00 0.30 113.55 117.01 1auw h SER 422 Ca -0.32 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1auw h SER 422 Cb 1.24 0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.00 1auw h SER 422 CO 0.47 -0.15 0.00 -0.90 -1.14 0.00 0.00 176.83 175.11 1auw n ASP 423 N -5.15 0.23 0.29 3.07 5.68 -1.26 -2.08 116.55 117.33 1auw n ASP 423 Ca 0.26 0.61 0.19 0.00 -0.50 0.00 0.00 54.79 55.35 1auw n ASP 423 Cb 0.82 -0.64 1.01 0.00 -1.14 0.00 0.00 41.12 41.18 1auw n ASP 423 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 1auw h VAL 424 N 0.00 0.00 -0.65 2.12 3.04 -0.81 -0.80 116.25 119.16 1auw h VAL 424 Ca 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 1auw h VAL 424 Cb 0.02 0.82 -0.03 0.00 -2.01 0.00 0.00 31.29 30.09 1auw h VAL 424 CO 0.00 0.00 0.28 0.77 -1.01 0.00 0.00 177.57 177.61 1auw h SER 425 N 0.00 0.85 -0.30 3.17 4.64 -1.64 -2.42 113.55 117.85 1auw h SER 425 Ca 0.00 -0.10 0.09 0.00 -0.47 0.00 0.00 61.79 61.30 1auw h SER 425 Cb 0.04 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 1auw h SER 425 CO 0.00 0.75 0.27 1.56 -0.87 0.00 0.00 176.83 178.53 1auw h GLN 426 N 0.92 0.00 -0.66 4.77 7.50 -1.39 -1.61 115.11 124.64 1auw h GLN 426 Ca 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.35 1auw h GLN 426 Cb 0.15 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.65 1auw h GLN 426 CO -0.02 0.00 0.34 0.28 -1.50 0.00 0.00 178.83 177.93 1auw h VAL 427 N 0.00 1.22 -0.25 -0.54 2.07 -1.58 -3.26 116.25 113.91 1auw h VAL 427 Ca 0.14 -0.58 -0.69 0.00 0.82 0.00 0.00 66.70 66.40 1auw h VAL 427 Cb 0.68 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1auw h VAL 427 CO -0.00 0.24 3.54 0.49 0.02 0.00 0.00 177.57 181.86 1auw n PHE 428 N -4.50 2.49 -3.67 1.57 3.72 -0.61 -4.68 117.46 111.79 1auw n PHE 428 Ca 0.05 -3.04 -0.12 0.00 -0.05 0.00 0.00 57.45 54.29 1auw n PHE 428 Cb 0.11 -2.36 -0.12 0.00 -0.94 0.00 0.00 39.48 36.16 1auw n PHE 428 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1auw s ASN 429 N 1.82 0.16 0.25 4.37 3.84 -1.23 -5.05 114.94 119.09 1auw s ASN 429 Ca 0.66 0.69 -0.05 0.00 0.21 0.00 0.00 52.86 54.36 1auw s ASN 429 Cb 0.18 0.83 0.28 0.00 -0.55 0.00 0.00 41.25 41.99 1auw s ASN 429 CO -0.07 -0.23 1.87 -0.26 -2.79 0.00 0.00 177.10 175.62 1auw h PHE 430 N 8.16 1.15 -0.39 0.43 0.04 -1.91 -0.41 116.94 124.02 1auw h PHE 430 Ca -0.17 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.54 1auw h PHE 430 Cb 1.12 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 1auw h PHE 430 CO 0.35 0.80 0.11 0.28 -0.60 0.00 0.00 178.31 179.25 1auw h VAL 431 N 1.17 1.22 -0.09 -0.55 2.07 -1.96 -0.83 116.25 117.29 1auw h VAL 431 Ca 0.29 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1auw h VAL 431 Cb 0.04 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1auw h VAL 431 CO -0.05 0.26 0.02 0.78 0.02 0.00 0.00 177.57 178.61 1auw h ASN 432 N 0.49 0.10 0.50 0.57 -0.26 -1.76 -1.39 115.58 113.83 1auw h ASN 432 Ca 0.12 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.83 1auw h ASN 432 Cb 0.29 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 1auw h ASN 432 CO -0.00 0.11 -0.24 -1.28 -1.06 0.00 0.00 177.43 174.96 1auw h SER 433 N 0.12 -0.57 -0.63 5.81 0.87 0.26 -3.25 113.55 116.16 1auw h SER 433 Ca 0.03 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1auw h SER 433 Cb 0.05 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 1auw h SER 433 CO -0.00 -0.30 0.39 0.58 -0.53 0.00 0.00 176.83 176.97 1auw h VAL 434 N -0.82 1.08 0.00 2.23 2.07 -0.74 -2.85 116.25 117.22 1auw h VAL 434 Ca -0.07 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1auw h VAL 434 Cb 0.58 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1auw h VAL 434 CO 0.11 0.14 0.00 -0.62 0.02 0.00 0.00 177.57 177.22 1auw n GLU 435 N -4.71 0.03 0.17 1.57 -0.58 -0.57 -1.48 120.64 115.07 1auw n GLU 435 Ca 0.06 0.21 0.04 0.00 -0.42 0.00 0.00 57.16 57.05 1auw n GLU 435 Cb 0.08 -1.50 0.24 0.00 -0.57 0.00 0.00 31.44 29.69 1auw n GLU 435 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1auw h GLN 436 N 0.00 0.00 -2.57 3.49 4.20 -1.59 -3.36 115.11 115.27 1auw h GLN 436 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 1auw h GLN 436 Cb 0.01 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 1auw h GLN 436 CO 0.00 0.45 2.17 0.66 -0.67 0.00 0.00 178.83 181.44 1auw n TYR 437 N -3.49 1.83 0.16 2.96 4.01 -0.55 -4.53 117.16 117.54 1auw n TYR 437 Ca 0.00 -2.54 0.10 0.00 -0.16 0.00 0.00 57.90 55.30 1auw n TYR 437 Cb 0.58 -2.01 0.08 0.00 -0.31 0.00 0.00 39.34 37.68 1auw n TYR 437 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1auw h THR 438 N 2.56 0.11 -3.57 -0.72 1.35 -1.85 -0.88 112.91 109.91 1auw h THR 438 Ca 0.63 -1.17 -0.56 0.00 -0.55 0.00 0.00 66.41 64.75 1auw h THR 438 Cb 0.61 1.86 0.12 0.00 -1.73 0.00 0.00 68.15 69.01 1auw h THR 438 CO 1.26 0.06 0.51 0.00 -0.25 0.00 0.00 175.52 177.10 1auw n ALA 439 N -2.16 1.34 -1.63 6.62 0.00 -1.26 -4.66 120.51 118.76 1auw n ALA 439 Ca 0.02 0.26 -0.63 0.00 0.00 0.00 0.00 53.44 53.09 1auw n ALA 439 Cb 0.58 -2.28 -0.09 0.00 0.00 0.00 0.00 19.45 17.66 1auw n ALA 439 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1auw n LEU 440 N 0.18 0.75 0.00 0.00 4.77 -1.26 -1.53 117.00 119.91 1auw n LEU 440 Ca 0.06 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.21 1auw n LEU 440 Cb 0.40 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1auw n LEU 440 CO 0.59 -1.30 0.00 0.61 -1.33 0.00 0.00 177.39 175.96 1auw n GLY 441 N 2.85 1.64 2.77 -0.72 0.00 -1.26 -5.06 105.19 105.41 1auw n GLY 441 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 1auw n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1auw n GLY 442 N -2.00 -2.13 0.02 -0.02 0.00 -0.58 -4.99 105.19 95.49 1auw n GLY 442 Ca 0.00 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.58 1auw n GLY 442 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1auw n THR 443 N -3.89 0.12 -1.51 2.61 -1.04 -1.18 -4.18 114.28 105.20 1auw n THR 443 Ca 0.12 -0.06 -0.37 0.00 -2.04 0.00 0.00 64.05 61.70 1auw n THR 443 Cb 0.44 -0.37 0.07 0.00 -1.82 0.00 0.00 70.33 68.65 1auw n THR 443 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1auw n ALA 444 N -1.57 0.12 -0.35 2.41 0.00 -0.34 -4.68 120.51 116.10 1auw n ALA 444 Ca 0.06 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1auw n ALA 444 Cb 0.36 -2.14 0.24 0.00 0.00 0.00 0.00 19.45 17.90 1auw n ALA 444 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1auw h LYS 445 N 0.12 0.93 -0.29 0.00 3.64 -1.88 0.30 116.57 119.39 1auw h LYS 445 Ca -0.48 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.82 1auw h LYS 445 Cb 1.35 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1auw h LYS 445 CO 0.49 0.61 0.07 0.66 -2.27 0.00 0.00 179.45 179.02 1auw h SER 446 N 0.95 0.37 -0.04 4.20 4.64 -1.93 -1.78 113.55 119.96 1auw h SER 446 Ca 0.50 -0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 61.62 1auw h SER 446 Cb 0.51 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1auw h SER 446 CO -0.28 0.38 -0.56 0.28 -0.87 0.00 0.00 176.83 175.78 1auw h SER 447 N 0.41 0.56 -0.32 4.97 0.02 -1.25 -2.47 113.55 115.47 1auw h SER 447 Ca 0.10 -0.71 0.05 0.00 -0.84 0.00 0.00 61.79 60.38 1auw h SER 447 Cb 0.16 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 1auw h SER 447 CO -0.00 1.19 0.06 0.58 -1.14 0.00 0.00 176.83 177.52 1auw h VAL 448 N -0.01 0.85 -0.35 2.27 2.07 -0.86 0.83 116.25 121.05 1auw h VAL 448 Ca -0.06 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 1auw h VAL 448 Cb 1.24 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1auw h VAL 448 CO 0.11 0.03 -0.04 0.74 0.02 0.00 0.00 177.57 178.43 1auw h THR 449 N 0.18 1.22 -0.64 2.57 2.02 -1.39 -0.96 112.91 115.90 1auw h THR 449 Ca 0.15 -0.90 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 1auw h THR 449 Cb 0.16 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1auw h THR 449 CO -0.20 0.31 0.09 0.74 0.37 0.00 0.00 175.52 176.83 1auw h THR 450 N 0.53 1.26 -0.04 3.16 2.02 -0.79 -2.25 112.91 116.81 1auw h THR 450 Ca 0.11 -1.04 -0.00 0.00 0.77 0.00 0.00 66.41 66.24 1auw h THR 450 Cb 0.40 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1auw h THR 450 CO 0.02 0.39 0.02 1.56 0.37 0.00 0.00 175.52 177.87 1auw h GLN 451 N 0.98 0.05 -0.65 6.66 4.20 0.09 -1.06 115.11 125.39 1auw h GLN 451 Ca 0.19 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 59.03 1auw h GLN 451 Cb 0.46 -0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.12 1auw h GLN 451 CO 0.02 0.16 0.07 0.82 -0.67 0.00 0.00 178.83 179.22 1auw h ILE 452 N -0.07 0.52 -0.27 2.54 2.04 -1.04 0.16 117.51 121.39 1auw h ILE 452 Ca 0.01 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1auw h ILE 452 Cb 0.12 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1auw h ILE 452 CO -0.00 0.03 0.01 -0.33 0.00 0.00 0.00 178.15 177.86 1auw h GLU 453 N 0.18 0.48 -0.56 2.37 5.08 -1.19 -2.17 114.58 118.76 1auw h GLU 453 Ca 0.35 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1auw h GLU 453 Cb 0.57 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1auw h GLU 453 CO -0.51 0.63 0.36 1.96 -1.00 0.00 0.00 179.01 180.45 1auw h GLN 454 N 0.27 0.76 0.00 2.33 4.20 0.11 -0.60 115.11 122.18 1auw h GLN 454 Ca 0.08 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 1auw h GLN 454 Cb 0.41 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1auw h GLN 454 CO 0.01 0.53 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.32 1auw h LEU 455 N 0.76 0.00 -0.24 1.46 3.38 -0.71 -1.44 115.31 118.53 1auw h LEU 455 Ca 0.20 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.98 1auw h LEU 455 Cb -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1auw h LEU 455 CO -0.04 0.31 -0.90 0.03 0.09 0.00 0.00 178.44 177.93 1auw h ARG 456 N 0.00 0.12 -0.38 1.13 3.08 -0.80 -2.06 114.38 115.46 1auw h ARG 456 Ca -0.00 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1auw h ARG 456 Cb 0.57 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1auw h ARG 456 CO 0.04 0.94 0.05 1.49 -1.07 0.00 0.00 179.97 181.42 1auw h GLU 457 N 0.06 0.64 -0.20 0.04 4.81 -0.64 -2.73 114.58 116.56 1auw h GLU 457 Ca -0.04 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1auw h GLU 457 Cb 1.56 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.86 1auw h GLU 457 CO 0.13 0.71 0.13 -0.07 -0.73 0.00 0.00 179.01 179.18 1auw h LEU 458 N 0.48 0.24 -1.66 1.64 3.38 -1.22 -2.72 115.31 115.45 1auw h LEU 458 Ca 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1auw h LEU 458 Cb 0.39 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1auw h LEU 458 CO 0.01 0.20 0.22 0.24 0.09 0.00 0.00 178.44 179.20 1auw h MET 459 N 0.25 0.44 0.00 1.13 2.86 -1.29 -0.45 114.93 117.89 1auw h MET 459 Ca 0.07 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1auw h MET 459 Cb 0.00 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1auw h MET 459 CO -0.01 0.30 -0.18 0.87 1.06 0.00 0.00 176.91 178.95 1auw h LYS 460 N 0.46 0.00 0.00 1.72 1.79 -1.17 -1.94 116.57 117.43 1auw h LYS 460 Ca 0.12 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.44 1auw h LYS 460 Cb -0.04 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 1auw h LYS 460 CO -0.03 0.18 -0.86 0.87 -1.08 0.00 0.00 179.45 178.54 1auw h LYS 461 N 0.00 0.00 0.00 3.15 1.57 -1.02 -3.28 116.57 116.99 1auw h LYS 461 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1auw h LYS 461 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1auw h LYS 461 CO 0.02 0.62 0.00 1.04 -0.57 0.00 0.00 179.45 180.56 1auw n GLN 462 N -3.20 0.71 0.00 3.15 1.13 -0.73 -5.13 117.38 113.30 1auw n GLN 462 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1auw n GLN 462 Cb 0.83 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.88 1auw n GLN 462 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25