#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1luw s HIS 2 N 0.00 2.59 0.22 5.58 3.76 -1.26 -5.04 115.29 121.14 1luw s HIS 2 Ca 0.00 1.55 0.05 0.00 -0.15 0.00 0.00 55.06 56.51 1luw s HIS 2 Cb 0.00 -3.27 -0.05 0.00 1.11 0.00 0.00 32.58 30.36 1luw s HIS 2 CO 0.00 -1.74 -0.06 -1.12 -0.85 0.00 0.00 174.74 170.97 1luw s SER 3 N -2.08 2.18 -0.20 1.40 0.01 -1.26 -4.96 113.70 108.79 1luw s SER 3 Ca 0.71 -1.14 -0.24 0.00 1.31 0.00 0.00 55.95 56.59 1luw s SER 3 Cb -0.24 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 65.92 1luw s SER 3 CO 0.34 -0.38 0.77 -0.22 0.41 0.00 0.00 173.24 174.17 1luw s LEU 4 N -3.32 4.13 0.34 2.44 2.96 -1.26 -5.03 118.68 118.95 1luw s LEU 4 Ca 0.25 1.03 -0.28 0.00 -0.22 0.00 0.00 54.13 54.92 1luw s LEU 4 Cb 0.04 -3.12 -0.09 0.00 0.50 0.00 0.00 46.19 43.51 1luw s LEU 4 CO 0.08 -0.40 1.20 -2.84 -1.32 0.00 0.00 176.35 173.06 1luw s PRO 5 N 2.31 4.33 0.22 0.98 0.02 -1.26 -4.98 135.00 136.61 1luw s PRO 5 Ca 0.34 1.96 -0.30 0.00 0.02 0.00 0.00 61.00 63.03 1luw s PRO 5 Cb -0.16 -2.96 -0.09 0.00 0.02 0.00 0.00 34.50 31.31 1luw s PRO 5 CO 0.10 -0.12 1.15 -0.51 -0.33 0.00 0.00 177.00 177.30 1luw s ASP 6 N -0.83 7.16 0.45 2.53 -0.00 -1.26 -4.96 116.67 119.76 1luw s ASP 6 Ca 0.51 2.24 -0.25 0.00 -0.00 0.00 0.00 52.55 55.05 1luw s ASP 6 Cb -0.34 -2.61 -0.08 0.00 -0.00 0.00 0.00 42.92 39.88 1luw s ASP 6 CO 0.44 -0.28 1.39 -0.11 -0.00 0.00 0.00 175.17 176.62 1luw n LEU 7 N 1.97 4.93 0.28 1.23 7.94 -1.26 -4.88 117.00 127.21 1luw n LEU 7 Ca 0.02 1.11 0.17 0.00 -1.11 0.00 0.00 56.01 56.20 1luw n LEU 7 Cb 0.45 -1.58 0.70 0.00 0.53 0.00 0.00 43.42 43.52 1luw n LEU 7 CO 0.55 -0.29 1.00 -0.65 -1.11 0.00 0.00 177.39 176.89 1luw h PRO 8 N 2.18 0.00 -4.75 1.96 0.11 -1.93 -3.46 132.00 126.11 1luw h PRO 8 Ca -0.50 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.20 1luw h PRO 8 Cb 1.28 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.26 1luw h PRO 8 CO 0.60 0.00 -0.47 1.52 -0.21 0.00 0.00 178.00 179.45 1luw s TYR 9 N -3.68 1.58 0.63 0.65 1.13 -1.26 -5.11 117.35 111.29 1luw s TYR 9 Ca 0.01 -1.57 -0.16 0.00 -1.41 0.00 0.00 57.07 53.94 1luw s TYR 9 Cb 0.09 -0.61 -0.01 0.00 -1.10 0.00 0.00 41.96 40.33 1luw s TYR 9 CO 0.54 -0.88 1.10 0.34 -2.51 0.00 0.00 175.55 174.15 1luw s ASP 10 N -3.33 5.31 0.61 -0.18 3.68 -1.26 -4.89 116.67 116.61 1luw s ASP 10 Ca 0.39 2.00 0.35 0.00 2.13 0.00 0.00 52.55 57.42 1luw s ASP 10 Cb 0.03 -2.55 1.91 0.00 -1.45 0.00 0.00 42.92 40.86 1luw s ASP 10 CO 0.25 -1.49 2.07 1.88 0.13 0.00 0.00 175.17 178.00 1luw h TYR 11 N 0.27 0.00 -0.11 -5.34 0.99 -1.97 -0.77 116.97 110.04 1luw h TYR 11 Ca -0.47 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.26 1luw h TYR 11 Cb 1.24 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.97 1luw h TYR 11 CO 0.55 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.12 1luw n GLY 12 N -1.17 2.83 0.00 3.88 0.00 -1.26 -3.52 105.19 105.95 1luw n GLY 12 Ca -0.02 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.91 1luw n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1luw n ALA 13 N -0.17 1.79 -1.07 4.61 0.00 -0.29 -2.08 120.51 123.30 1luw n ALA 13 Ca 0.04 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.52 1luw n ALA 13 Cb 0.30 -1.11 0.12 0.00 0.00 0.00 0.00 19.45 18.77 1luw n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1luw n LEU 14 N -0.90 2.18 -4.77 0.00 4.77 -1.26 -4.23 117.00 112.79 1luw n LEU 14 Ca 0.05 -2.90 -0.37 0.00 -0.03 0.00 0.00 56.01 52.76 1luw n LEU 14 Cb 0.02 -0.38 -0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1luw n LEU 14 CO 0.04 0.67 0.84 -0.70 -1.33 0.00 0.00 177.39 176.90 1luw s GLU 15 N -2.60 3.68 0.00 3.23 2.56 -0.89 -2.18 118.70 122.51 1luw s GLU 15 Ca 0.28 1.79 0.21 0.00 0.00 0.00 0.00 54.97 57.25 1luw s GLU 15 Cb 0.25 -2.36 0.56 0.00 2.00 0.00 0.00 34.13 34.58 1luw s GLU 15 CO 0.03 -0.63 1.47 -0.35 -0.56 0.00 0.00 175.26 175.22 1luw n PRO 16 N -0.60 2.70 -0.10 4.30 -0.04 -1.26 -4.87 135.00 135.13 1luw n PRO 16 Ca 0.08 -2.51 -0.06 0.00 -0.04 0.00 0.00 63.50 60.97 1luw n PRO 16 Cb 0.48 -1.51 0.12 0.00 -0.04 0.00 0.00 33.50 32.55 1luw n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1luw h HIS 17 N 3.94 0.87 -2.44 0.54 3.86 -1.83 -3.40 115.15 116.69 1luw h HIS 17 Ca 0.00 -0.16 -0.29 0.00 -1.16 0.00 0.00 60.37 58.75 1luw h HIS 17 Cb 0.94 -0.22 -0.35 0.00 1.06 0.00 0.00 27.41 28.84 1luw h HIS 17 CO 0.41 0.87 -0.60 0.42 0.86 0.00 0.00 177.93 179.89 1luw s ILE 18 N -4.77 -0.37 0.83 2.45 1.01 -0.92 -4.73 121.20 114.70 1luw s ILE 18 Ca -0.09 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.33 1luw s ILE 18 Cb 0.14 -0.69 0.10 0.00 0.01 0.00 0.00 42.46 42.01 1luw s ILE 18 CO 0.83 -0.19 1.18 0.54 0.00 0.00 0.00 174.94 177.29 1luw s ASN 19 N 2.36 3.51 0.62 3.58 2.20 -1.26 -3.81 114.94 122.14 1luw s ASN 19 Ca 0.08 2.27 0.37 0.00 -0.94 0.00 0.00 52.86 54.64 1luw s ASN 19 Cb -0.16 -2.58 2.09 0.00 -2.00 0.00 0.00 41.25 38.60 1luw s ASN 19 CO -0.13 -2.72 2.29 0.00 -2.94 0.00 0.00 177.10 173.61 1luw h ALA 20 N -1.16 1.22 -0.07 3.54 0.00 -1.86 -2.72 119.26 118.22 1luw h ALA 20 Ca -0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1luw h ALA 20 Cb 1.28 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1luw h ALA 20 CO 0.45 0.01 -0.05 0.37 0.00 0.00 0.00 179.25 180.04 1luw h GLN 21 N 0.00 0.16 -0.48 0.00 4.15 -1.90 0.22 115.11 117.26 1luw h GLN 21 Ca -0.00 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.35 1luw h GLN 21 Cb 0.05 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1luw h GLN 21 CO 0.00 0.56 0.32 0.82 -1.93 0.00 0.00 178.83 178.59 1luw h ILE 22 N -0.24 1.12 0.25 2.39 2.04 -1.84 -1.60 117.51 119.62 1luw h ILE 22 Ca 0.01 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1luw h ILE 22 Cb 0.52 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1luw h ILE 22 CO 0.01 0.12 -0.12 0.24 0.00 0.00 0.00 178.15 178.40 1luw h MET 23 N 0.65 -0.33 -0.45 2.37 2.86 -1.48 -1.78 114.93 116.77 1luw h MET 23 Ca 0.18 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.88 1luw h MET 23 Cb -0.07 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 1luw h MET 23 CO -0.04 -0.14 -0.36 0.37 1.06 0.00 0.00 176.91 177.80 1luw h GLN 24 N -0.44 -0.11 0.12 1.72 -0.00 -0.21 -0.37 115.11 115.82 1luw h GLN 24 Ca -0.03 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 1luw h GLN 24 Cb 0.33 0.03 -0.00 0.00 0.00 0.00 0.00 27.48 27.84 1luw h GLN 24 CO 0.06 -0.08 -0.08 -0.07 0.00 0.00 0.00 178.83 178.67 1luw h LEU 25 N -0.12 -0.19 -0.72 -2.39 3.38 -1.33 -0.69 115.31 113.25 1luw h LEU 25 Ca 0.07 0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.33 1luw h LEU 25 Cb 0.31 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 40.98 1luw h LEU 25 CO -0.49 -0.12 0.30 1.57 0.09 0.00 0.00 178.44 179.80 1luw n HIS 26 N -2.63 0.76 -0.03 1.13 -0.00 -0.67 0.09 115.22 113.86 1luw n HIS 26 Ca -0.02 0.86 -0.02 0.00 0.46 0.00 0.00 57.72 58.99 1luw n HIS 26 Cb 0.08 -1.23 -0.01 0.00 -0.12 0.00 0.00 29.99 28.71 1luw n HIS 26 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1luw h HIS 27 N 0.00 0.00 -0.59 1.57 -0.00 -1.01 -2.37 115.15 112.75 1luw h HIS 27 Ca 0.57 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 61.02 1luw h HIS 27 Cb 1.46 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 28.81 1luw h HIS 27 CO -0.09 0.00 0.26 0.66 -0.00 0.00 0.00 177.93 178.76 1luw h SER 28 N -0.49 0.32 0.00 3.26 4.64 -0.78 -3.06 113.55 117.44 1luw h SER 28 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1luw h SER 28 Cb 0.22 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1luw h SER 28 CO 0.00 0.20 0.00 0.29 -0.87 0.00 0.00 176.83 176.45 1luw n LYS 29 N -4.93 0.00 -0.12 4.77 4.76 0.11 -4.17 118.16 118.58 1luw n LYS 29 Ca 0.07 0.29 -0.11 0.00 -2.87 0.00 0.00 58.31 55.70 1luw n LYS 29 Cb 0.22 -0.77 -0.02 0.00 -1.84 0.00 0.00 35.03 32.62 1luw n LYS 29 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1luw h GLN 30 N 0.00 0.66 -0.65 1.97 4.20 -1.60 -2.30 115.11 117.39 1luw h GLN 30 Ca 0.00 -0.24 0.02 0.00 0.06 0.00 0.00 58.65 58.50 1luw h GLN 30 Cb 0.00 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 1luw h GLN 30 CO 0.00 0.80 0.41 1.25 -0.67 0.00 0.00 178.83 180.62 1luw h HIS 31 N 0.47 0.77 -0.50 2.96 2.76 -1.32 -1.88 115.15 118.41 1luw h HIS 31 Ca 0.10 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.34 1luw h HIS 31 Cb 0.53 -0.25 -0.05 0.00 1.55 0.00 0.00 27.41 29.19 1luw h HIS 31 CO 0.04 0.45 0.23 0.00 -1.30 0.00 0.00 177.93 177.35 1luw h ALA 32 N 1.27 0.63 -0.87 5.26 0.00 -1.51 -1.75 119.26 122.30 1luw h ALA 32 Ca 0.26 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1luw h ALA 32 Cb -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1luw h ALA 32 CO -0.09 -0.14 0.57 0.00 0.00 0.00 0.00 179.25 179.58 1luw h ALA 33 N 1.30 1.13 -0.61 0.00 0.00 -0.81 -1.09 119.26 119.17 1luw h ALA 33 Ca 0.23 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1luw h ALA 33 Cb 0.18 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1luw h ALA 33 CO -0.19 0.44 0.40 1.88 0.00 0.00 0.00 179.25 181.78 1luw h TYR 34 N 1.12 0.76 0.04 0.00 0.99 -0.57 -0.17 116.97 119.14 1luw h TYR 34 Ca 0.34 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 61.08 1luw h TYR 34 Cb -0.04 -0.26 0.00 0.00 1.00 0.00 0.00 36.73 37.44 1luw h TYR 34 CO -0.02 0.47 -0.02 0.28 -0.00 0.00 0.00 178.16 178.87 1luw h VAL 35 N 0.81 1.10 0.20 -2.88 2.07 -0.90 -0.28 116.25 116.37 1luw h VAL 35 Ca 0.23 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1luw h VAL 35 Cb -0.08 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1luw h VAL 35 CO -0.06 0.11 -0.25 0.78 0.02 0.00 0.00 177.57 178.18 1luw h ASN 36 N -0.26 -0.69 -0.39 0.57 2.35 -1.07 -0.41 115.58 115.68 1luw h ASN 36 Ca -0.01 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1luw h ASN 36 Cb 0.23 0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1luw h ASN 36 CO 0.01 -0.36 0.26 0.78 -1.65 0.00 0.00 177.43 176.47 1luw h ASN 37 N -0.51 0.36 0.22 5.81 -0.26 -1.03 -1.51 115.58 118.66 1luw h ASN 37 Ca 0.01 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1luw h ASN 37 Cb 0.49 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 1luw h ASN 37 CO -0.09 0.25 -0.11 0.25 -1.06 0.00 0.00 177.43 176.67 1luw h LEU 38 N 0.42 -0.25 -1.12 1.61 6.46 -0.42 0.33 115.31 122.34 1luw h LEU 38 Ca 0.16 -0.21 0.06 0.00 -0.12 0.00 0.00 57.88 57.77 1luw h LEU 38 Cb 0.11 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.04 1luw h LEU 38 CO -0.04 0.09 0.60 0.78 -0.62 0.00 0.00 178.44 179.25 1luw h ASN 39 N -0.62 0.94 -0.58 1.25 2.35 -0.74 0.42 115.58 118.60 1luw h ASN 39 Ca -0.03 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1luw h ASN 39 Cb 0.45 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 1luw h ASN 39 CO 0.05 0.61 0.21 0.58 -1.65 0.00 0.00 177.43 177.22 1luw h VAL 40 N 1.07 1.23 -0.19 2.81 2.07 -1.10 -2.49 116.25 119.65 1luw h VAL 40 Ca 0.40 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1luw h VAL 40 Cb 0.18 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1luw h VAL 40 CO -0.15 0.29 0.02 0.74 0.02 0.00 0.00 177.57 178.49 1luw h THR 41 N 0.81 1.24 -0.97 2.57 2.02 0.28 -2.32 112.91 116.54 1luw h THR 41 Ca 0.19 -0.80 0.06 0.00 0.77 0.00 0.00 66.41 66.63 1luw h THR 41 Cb 0.24 1.40 -0.06 0.00 -1.74 0.00 0.00 68.15 67.99 1luw h THR 41 CO -0.01 0.24 0.63 -0.33 0.37 0.00 0.00 175.52 176.42 1luw h GLU 42 N 0.10 1.10 -0.04 6.66 5.08 -0.94 -0.84 114.58 125.70 1luw h GLU 42 Ca 0.06 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1luw h GLU 42 Cb 0.35 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1luw h GLU 42 CO 0.01 0.73 0.02 1.49 -1.00 0.00 0.00 179.01 180.26 1luw h GLU 43 N 1.14 0.06 -0.09 2.33 4.57 -1.28 0.73 114.58 122.04 1luw h GLU 43 Ca 0.41 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.61 1luw h GLU 43 Cb 0.15 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1luw h GLU 43 CO -0.15 0.09 0.08 0.87 -1.18 0.00 0.00 179.01 178.72 1luw h LYS 44 N 0.00 0.00 0.11 1.92 1.57 -0.87 -2.25 116.57 117.05 1luw h LYS 44 Ca 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1luw h LYS 44 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1luw h LYS 44 CO -0.00 0.00 -0.05 -0.92 -0.57 0.00 0.00 179.45 177.91 1luw h TYR 45 N 0.00 -0.13 -0.91 -1.35 3.20 0.24 -1.39 116.97 116.63 1luw h TYR 45 Ca 0.04 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.02 1luw h TYR 45 Cb 0.20 0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.44 1luw h TYR 45 CO 0.00 0.32 0.55 0.37 -1.64 0.00 0.00 178.16 177.75 1luw h GLN 46 N -0.66 0.86 0.51 1.82 5.75 -0.49 0.17 115.11 123.07 1luw h GLN 46 Ca -0.01 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 1luw h GLN 46 Cb 0.51 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.86 1luw h GLN 46 CO 0.02 0.57 -0.31 0.93 -2.65 0.00 0.00 178.83 177.40 1luw h GLU 47 N 0.89 -0.75 -0.52 1.69 5.08 -1.38 -0.39 114.58 119.20 1luw h GLU 47 Ca 0.45 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.83 1luw h GLU 47 Cb 0.42 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1luw h GLU 47 CO -0.26 -0.50 0.21 0.00 -1.00 0.00 0.00 179.01 177.46 1luw h ALA 48 N -0.33 1.39 -0.38 3.43 0.00 -0.55 -1.84 119.26 120.98 1luw h ALA 48 Ca -0.06 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1luw h ALA 48 Cb 0.63 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1luw h ALA 48 CO 0.07 0.46 -0.20 1.25 0.00 0.00 0.00 179.25 180.82 1luw h LEU 49 N 0.73 0.83 -0.91 0.00 5.85 -0.53 0.89 115.31 122.17 1luw h LEU 49 Ca 0.18 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 1luw h LEU 49 Cb 0.15 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1luw h LEU 49 CO -0.02 1.07 0.18 0.00 -0.34 0.00 0.00 178.44 179.33 1luw h ALA 50 N 0.80 1.12 0.00 1.25 0.00 -0.71 -1.94 119.26 119.77 1luw h ALA 50 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1luw h ALA 50 Cb 0.76 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1luw h ALA 50 CO 0.06 0.60 0.00 1.63 0.00 0.00 0.00 179.25 181.54 1luw n LYS 51 N -4.26 0.08 -1.20 0.00 5.02 -0.72 -4.87 118.16 112.20 1luw n LYS 51 Ca 0.05 0.18 -0.07 0.00 -2.02 0.00 0.00 58.31 56.46 1luw n LYS 51 Cb 0.23 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 1luw n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1luw n GLY 52 N 0.77 0.88 3.53 0.72 0.00 -0.69 -4.94 105.19 105.45 1luw n GLY 52 Ca 0.05 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1luw n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1luw s ASP 53 N -2.93 6.35 0.07 1.61 3.68 0.22 -4.85 116.67 120.83 1luw s ASP 53 Ca 0.00 -1.10 -0.17 0.00 2.13 0.00 0.00 52.55 53.41 1luw s ASP 53 Cb 0.00 -2.53 -0.11 0.00 -1.45 0.00 0.00 42.92 38.82 1luw s ASP 53 CO 0.00 -1.58 1.38 0.58 0.13 0.00 0.00 175.17 175.68 1luw h VAL 54 N 6.33 1.32 -0.49 1.11 2.07 -1.92 -2.33 116.25 122.34 1luw h VAL 54 Ca -0.03 -1.41 0.08 0.00 0.82 0.00 0.00 66.70 66.16 1luw h VAL 54 Cb 1.03 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 32.48 1luw h VAL 54 CO 1.32 0.43 0.13 0.74 0.02 0.00 0.00 177.57 180.21 1luw h THR 55 N 0.23 0.77 -0.73 2.57 2.02 -1.98 -0.06 112.91 115.73 1luw h THR 55 Ca 0.03 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 1luw h THR 55 Cb 0.79 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1luw h THR 55 CO 0.06 0.05 0.24 0.00 0.37 0.00 0.00 175.52 176.23 1luw h ALA 56 N 1.36 1.04 -0.36 6.16 0.00 -1.95 -1.08 119.26 124.44 1luw h ALA 56 Ca 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1luw h ALA 56 Cb 0.30 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1luw h ALA 56 CO -0.29 0.65 0.23 1.96 0.00 0.00 0.00 179.25 181.81 1luw h GLN 57 N 1.08 0.47 -0.20 0.00 4.20 -0.71 -1.70 115.11 118.25 1luw h GLN 57 Ca 0.24 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.83 1luw h GLN 57 Cb 0.29 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1luw h GLN 57 CO -0.01 0.31 -0.23 0.82 -0.67 0.00 0.00 178.83 179.05 1luw h ILE 58 N 0.48 1.25 0.00 2.54 2.04 -0.81 -2.62 117.51 120.39 1luw h ILE 58 Ca 0.13 -1.17 -0.06 0.00 1.00 0.00 0.00 64.86 64.77 1luw h ILE 58 Cb -0.05 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1luw h ILE 58 CO -0.03 0.36 -0.27 0.00 0.00 0.00 0.00 178.15 178.22 1luw h ALA 59 N 1.42 1.07 -0.00 1.87 0.00 -0.73 -2.81 119.26 120.08 1luw h ALA 59 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1luw h ALA 59 Cb 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1luw h ALA 59 CO 0.04 0.33 -0.17 1.28 0.00 0.00 0.00 179.25 180.73 1luw n LEU 60 N -3.51 0.39 -0.12 0.00 7.99 -0.68 -4.31 117.00 116.76 1luw n LEU 60 Ca -0.00 0.11 -0.08 0.00 -0.01 0.00 0.00 56.01 56.02 1luw n LEU 60 Cb 0.42 -0.27 -0.00 0.00 -0.11 0.00 0.00 43.42 43.46 1luw n LEU 60 CO 0.34 0.08 1.01 1.56 -1.51 0.00 0.00 177.39 178.87 1luw h GLN 61 N 0.33 0.52 -0.64 3.23 4.20 -1.45 -1.56 115.11 119.74 1luw h GLN 61 Ca 0.00 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.71 1luw h GLN 61 Cb 0.43 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1luw h GLN 61 CO 0.00 0.37 0.37 -1.35 -0.67 0.00 0.00 178.83 177.55 1luw h PRO 62 N 0.51 0.69 -0.50 1.46 0.11 -1.80 -0.78 132.00 131.68 1luw h PRO 62 Ca 0.14 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.11 1luw h PRO 62 Cb -0.02 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 1luw h PRO 62 CO -0.03 0.46 -0.06 0.00 -0.21 0.00 0.00 178.00 178.16 1luw h ALA 63 N 1.31 0.95 -0.24 -0.75 0.00 -1.80 -1.24 119.26 117.48 1luw h ALA 63 Ca 0.27 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1luw h ALA 63 Cb 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1luw h ALA 63 CO -0.14 0.62 -0.24 1.25 0.00 0.00 0.00 179.25 180.74 1luw h LEU 64 N 0.81 0.63 -0.35 0.00 7.12 -0.88 0.00 115.31 122.65 1luw h LEU 64 Ca 0.14 -0.48 -0.17 0.00 0.13 0.00 0.00 57.88 57.50 1luw h LEU 64 Cb 0.57 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.52 1luw h LEU 64 CO 0.03 0.98 -0.46 0.50 -0.13 0.00 0.00 178.44 179.36 1luw h LYS 65 N 0.29 0.92 -0.07 1.25 3.64 -1.16 -0.96 116.57 120.48 1luw h LYS 65 Ca 0.04 -0.53 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1luw h LYS 65 Cb 0.80 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1luw h LYS 65 CO 0.06 1.18 -0.02 0.35 -2.27 0.00 0.00 179.45 178.75 1luw h PHE 66 N 0.73 0.16 0.17 1.91 3.04 -1.20 -1.56 116.94 120.19 1luw h PHE 66 Ca 0.04 -0.04 -0.30 0.00 3.98 0.00 0.00 57.97 61.66 1luw h PHE 66 Cb 1.06 -0.04 0.02 0.00 2.56 0.00 0.00 35.95 39.55 1luw h PHE 66 CO 0.07 0.47 -1.32 -0.91 -2.02 0.00 0.00 178.31 174.60 1luw h ASN 67 N -0.19 0.61 0.52 0.41 4.21 -1.07 -1.38 115.58 118.69 1luw h ASN 67 Ca 0.02 -0.64 -0.16 0.00 1.21 0.00 0.00 56.30 56.73 1luw h ASN 67 Cb 0.42 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.41 1luw h ASN 67 CO 0.01 1.49 -0.72 1.23 -1.29 0.00 0.00 177.43 178.15 1luw h GLY 68 N 0.99 0.18 1.18 2.83 0.00 -1.28 -2.45 103.07 104.52 1luw h GLY 68 Ca -0.18 -0.27 -0.26 0.00 0.00 0.00 0.00 47.33 46.63 1luw h GLY 68 CO 0.23 0.24 -0.98 -1.33 0.00 0.00 0.00 176.54 174.70 1luw h GLY 69 N 1.76 0.79 1.26 4.60 0.00 -1.36 -0.31 103.07 109.80 1luw h GLY 69 Ca -0.02 -1.34 0.02 0.00 0.00 0.00 0.00 47.33 46.00 1luw h GLY 69 CO 0.11 1.18 0.45 -1.33 0.00 0.00 0.00 176.54 176.95 1luw h GLY 70 N 0.40 0.95 0.87 4.60 0.00 -1.20 0.45 103.07 109.13 1luw h GLY 70 Ca -0.12 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 1luw h GLY 70 CO 0.19 0.31 -0.37 0.84 0.00 0.00 0.00 176.54 177.51 1luw h HIS 71 N 0.87 0.68 0.78 5.60 6.17 -1.37 -2.30 115.15 125.58 1luw h HIS 71 Ca 0.26 -0.26 -0.04 0.00 0.71 0.00 0.00 60.37 61.05 1luw h HIS 71 Cb -0.01 -0.12 0.01 0.00 2.52 0.00 0.00 27.41 29.81 1luw h HIS 71 CO -0.00 1.00 -0.38 0.82 0.71 0.00 0.00 177.93 180.08 1luw h ILE 72 N 0.17 0.22 0.20 6.26 2.04 -0.14 -1.95 117.51 124.30 1luw h ILE 72 Ca -0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1luw h ILE 72 Cb 0.98 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1luw h ILE 72 CO 0.08 0.00 -0.46 0.78 0.00 0.00 0.00 178.15 178.55 1luw h ASN 73 N -1.08 -1.36 -0.29 1.72 2.35 -0.21 -2.53 115.58 114.19 1luw h ASN 73 Ca -0.11 0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1luw h ASN 73 Cb 0.81 0.49 -0.01 0.00 0.05 0.00 0.00 38.32 39.66 1luw h ASN 73 CO 0.18 -0.52 0.19 0.45 -1.65 0.00 0.00 177.43 176.08 1luw h HIS 74 N -0.72 0.30 -0.50 1.19 3.86 -1.48 0.23 115.15 118.02 1luw h HIS 74 Ca -0.02 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1luw h HIS 74 Cb 0.69 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 1luw h HIS 74 CO -0.38 0.18 0.20 0.77 0.86 0.00 0.00 177.93 179.56 1luw h SER 75 N 0.32 0.69 -0.39 2.45 0.02 -1.15 -2.00 113.55 113.49 1luw h SER 75 Ca 0.11 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 1luw h SER 75 Cb 0.06 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1luw h SER 75 CO -0.02 0.67 -0.16 0.40 -1.14 0.00 0.00 176.83 176.58 1luw h ILE 76 N 0.67 1.28 -0.21 3.27 2.04 -0.80 -3.24 117.51 120.52 1luw h ILE 76 Ca 0.17 -1.28 0.06 0.00 1.00 0.00 0.00 64.86 64.81 1luw h ILE 76 Cb 0.19 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 1luw h ILE 76 CO -0.01 0.43 -0.20 0.15 0.00 0.00 0.00 178.15 178.51 1luw h PHE 77 N 0.60 -0.53 -0.35 1.37 3.57 -0.25 -2.17 116.94 119.19 1luw h PHE 77 Ca 0.09 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.70 1luw h PHE 77 Cb 0.70 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 39.62 1luw h PHE 77 CO 0.05 -0.28 -0.21 -1.49 -2.23 0.00 0.00 178.31 174.15 1luw h TRP 78 N -0.22 -0.55 0.00 0.41 -0.00 -1.40 0.41 115.95 114.61 1luw h TRP 78 Ca 0.13 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 59.06 1luw h TRP 78 Cb 0.41 0.29 0.00 0.00 -0.00 0.00 0.00 29.16 29.86 1luw h TRP 78 CO -0.35 -0.29 0.00 1.79 -0.00 0.00 0.00 178.44 179.59 1luw h THR 79 N -0.16 0.00 -0.00 1.49 1.35 -1.52 -1.87 112.91 112.19 1luw h THR 79 Ca 0.17 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1luw h THR 79 Cb 0.43 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1luw h THR 79 CO -0.45 0.00 -0.01 0.59 -0.25 0.00 0.00 175.52 175.41 1luw n ASN 80 N -3.07 0.10 -4.49 5.36 5.03 0.12 -4.70 115.26 113.61 1luw n ASN 80 Ca -0.02 -0.69 -0.24 0.00 0.87 0.00 0.00 54.58 54.50 1luw n ASN 80 Cb 0.16 -0.10 -0.10 0.00 -1.02 0.00 0.00 39.78 38.72 1luw n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1luw s LEU 81 N -2.23 2.65 -0.20 3.41 1.02 -0.70 -0.28 118.68 122.34 1luw s LEU 81 Ca 0.39 -0.98 -0.30 0.00 0.02 0.00 0.00 54.13 53.27 1luw s LEU 81 Cb 0.21 -1.17 0.15 0.00 0.02 0.00 0.00 46.19 45.40 1luw s LEU 81 CO 0.41 0.04 1.12 -0.55 0.02 0.00 0.00 176.35 177.39 1luw s SER 82 N -3.50 -0.26 0.08 2.29 0.15 -0.98 -4.53 113.70 106.95 1luw s SER 82 Ca 0.30 0.29 -0.26 0.00 0.70 0.00 0.00 55.95 56.98 1luw s SER 82 Cb -0.05 0.22 -0.16 0.00 -1.71 0.00 0.00 66.02 64.32 1luw s SER 82 CO 0.15 -0.24 1.69 -0.65 1.20 0.00 0.00 173.24 175.40 1luw h PRO 83 N 2.43 -0.22 0.00 5.44 0.11 -1.84 -1.58 132.00 136.33 1luw h PRO 83 Ca -0.15 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1luw h PRO 83 Cb 1.17 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1luw h PRO 83 CO 0.28 -0.13 0.00 0.27 -0.21 0.00 0.00 178.00 178.20 1luw n ASN 84 N -5.18 0.00 -4.75 -2.05 0.23 -1.26 -4.86 115.26 97.40 1luw n ASN 84 Ca -0.09 -1.19 -0.30 0.00 -0.53 0.00 0.00 54.58 52.47 1luw n ASN 84 Cb 0.12 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 37.94 1luw n ASN 84 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1luw s GLY 85 N -1.53 1.62 0.00 4.83 0.00 -0.60 -4.98 107.32 106.67 1luw s GLY 85 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.73 1luw s GLY 85 CO 0.09 0.36 0.00 0.61 0.00 0.00 0.00 173.10 174.16 1luw n GLY 86 N -1.44 1.09 7.00 0.20 0.00 -0.18 -4.36 105.19 107.50 1luw n GLY 86 Ca 0.07 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.87 1luw n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1luw n GLY 87 N -1.25 1.65 3.46 -0.02 0.00 -1.26 -4.81 105.19 102.96 1luw n GLY 87 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 1luw n GLY 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1luw s GLU 88 N 0.00 1.30 0.64 1.61 -1.05 -1.26 -5.03 118.70 114.91 1luw s GLU 88 Ca 0.00 -0.78 -0.14 0.00 -0.15 0.00 0.00 54.97 53.90 1luw s GLU 88 Cb 0.00 0.52 -0.01 0.00 -0.44 0.00 0.00 34.13 34.20 1luw s GLU 88 CO 0.00 -0.55 1.07 -1.25 0.95 0.00 0.00 175.26 175.49 1luw s PRO 89 N -3.84 3.02 0.09 -4.83 0.04 -1.26 -5.01 135.00 123.21 1luw s PRO 89 Ca 0.07 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1luw s PRO 89 Cb -0.00 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1luw s PRO 89 CO -0.06 -1.05 0.03 1.63 0.04 0.00 0.00 177.00 177.59 1luw n LYS 90 N -2.46 1.62 0.00 4.56 5.02 -1.26 -4.43 118.16 121.20 1luw n LYS 90 Ca 0.09 -0.65 0.00 0.00 -2.02 0.00 0.00 58.31 55.73 1luw n LYS 90 Cb 0.53 0.14 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 1luw n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1luw n GLY 91 N 3.88 1.15 0.23 0.72 0.00 -1.26 -2.57 105.19 107.34 1luw n GLY 91 Ca -0.03 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.46 1luw n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1luw h GLU 92 N 0.00 -0.01 -0.58 1.61 5.08 -1.98 -1.29 114.58 117.41 1luw h GLU 92 Ca 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1luw h GLU 92 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 1luw h GLU 92 CO 0.00 -0.01 0.20 1.25 -1.00 0.00 0.00 179.01 179.45 1luw h LEU 93 N -0.01 0.18 -0.27 1.33 5.85 -1.95 0.30 115.31 120.74 1luw h LEU 93 Ca 0.28 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 1luw h LEU 93 Cb 0.44 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1luw h LEU 93 CO -0.60 0.12 0.11 0.25 -0.34 0.00 0.00 178.44 177.98 1luw h LEU 94 N 0.37 0.37 -0.68 2.25 5.85 -1.08 -0.52 115.31 121.88 1luw h LEU 94 Ca 0.29 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.94 1luw h LEU 94 Cb 0.36 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 1luw h LEU 94 CO -0.30 0.43 0.33 -0.08 -0.34 0.00 0.00 178.44 178.48 1luw h GLU 95 N 0.29 0.56 -0.49 1.25 4.81 -0.18 0.11 114.58 120.93 1luw h GLU 95 Ca 0.09 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 1luw h GLU 95 Cb 0.17 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1luw h GLU 95 CO -0.01 0.37 -0.07 0.00 -0.73 0.00 0.00 179.01 178.57 1luw h ALA 96 N 1.41 0.94 -0.41 2.92 0.00 -0.16 -0.61 119.26 123.35 1luw h ALA 96 Ca 0.33 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1luw h ALA 96 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1luw h ALA 96 CO -0.26 0.63 0.03 0.82 0.00 0.00 0.00 179.25 180.46 1luw h ILE 97 N 0.80 1.25 -0.01 0.00 2.04 0.29 0.44 117.51 122.32 1luw h ILE 97 Ca 0.14 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 1luw h ILE 97 Cb 0.58 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1luw h ILE 97 CO 0.04 0.33 0.00 0.11 0.00 0.00 0.00 178.15 178.62 1luw h LYS 98 N 0.54 0.02 0.67 2.37 1.57 -0.70 0.12 116.57 121.16 1luw h LYS 98 Ca 0.12 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1luw h LYS 98 Cb 0.43 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1luw h LYS 98 CO 0.02 0.24 -0.34 -0.09 -0.57 0.00 0.00 179.45 178.70 1luw h ARG 99 N -0.19 -0.89 -0.07 3.15 2.43 -1.04 1.18 114.38 118.94 1luw h ARG 99 Ca 0.00 0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.10 1luw h ARG 99 Cb 0.22 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1luw h ARG 99 CO -0.00 -0.59 -0.54 -0.44 -1.51 0.00 0.00 179.97 176.89 1luw h ASP 100 N -0.93 0.23 -0.02 -3.80 3.32 -0.15 -3.34 116.42 111.74 1luw h ASP 100 Ca -0.09 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1luw h ASP 100 Cb 0.72 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1luw h ASP 100 CO 0.14 0.73 0.00 0.49 -1.72 0.00 0.00 179.24 178.88 1luw n PHE 101 N -3.92 0.02 0.00 4.55 3.01 0.40 -5.03 117.46 116.48 1luw n PHE 101 Ca -0.02 -0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1luw n PHE 101 Cb 0.57 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 1luw n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1luw n GLY 102 N 0.10 2.53 3.55 1.37 0.00 0.41 -4.43 105.19 108.72 1luw n GLY 102 Ca 0.02 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 1luw n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1luw s SER 103 N 0.00 -0.68 0.56 1.61 1.04 -1.24 -4.61 113.70 110.38 1luw s SER 103 Ca 0.00 1.00 0.36 0.00 0.48 0.00 0.00 55.95 57.79 1luw s SER 103 Cb 0.00 0.91 1.51 0.00 0.10 0.00 0.00 66.02 68.53 1luw s SER 103 CO 0.00 -0.46 1.76 0.15 0.98 0.00 0.00 173.24 175.67 1luw h PHE 104 N 3.85 0.00 -0.04 5.02 3.57 -1.91 0.25 116.94 127.68 1luw h PHE 104 Ca -0.28 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.06 1luw h PHE 104 Cb 1.15 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.90 1luw h PHE 104 CO 0.39 0.00 -0.60 0.22 -2.23 0.00 0.00 178.31 176.09 1luw h ASP 105 N 0.00 0.60 -0.23 0.41 3.58 -1.95 -1.68 116.42 117.14 1luw h ASP 105 Ca 0.54 -0.71 -0.08 0.00 0.42 0.00 0.00 57.03 57.20 1luw h ASP 105 Cb 2.30 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 43.15 1luw h ASP 105 CO -0.01 1.22 -0.13 0.11 -2.88 0.00 0.00 179.24 177.56 1luw h LYS 106 N 0.02 0.63 0.27 0.28 1.57 -0.95 -2.01 116.57 116.38 1luw h LYS 106 Ca -0.06 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1luw h LYS 106 Cb 1.28 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 1luw h LYS 106 CO 0.12 0.74 -0.33 0.35 -0.57 0.00 0.00 179.45 179.75 1luw h PHE 107 N 0.57 -0.94 -0.98 -1.35 -0.00 -0.68 0.39 116.94 113.96 1luw h PHE 107 Ca 0.10 0.01 0.24 0.00 -0.00 0.00 0.00 57.97 58.32 1luw h PHE 107 Cb 0.55 0.37 -0.12 0.00 -0.00 0.00 0.00 35.95 36.75 1luw h PHE 107 CO 0.02 -0.43 0.55 0.87 -0.00 0.00 0.00 178.31 179.32 1luw h LYS 108 N -0.62 0.52 -0.79 1.11 1.57 -1.18 0.65 116.57 117.83 1luw h LYS 108 Ca -0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1luw h LYS 108 Cb 0.55 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 1luw h LYS 108 CO -0.08 0.35 0.47 0.93 -0.57 0.00 0.00 179.45 180.55 1luw h GLU 109 N 0.54 1.08 0.74 3.15 4.39 -0.53 0.11 114.58 124.06 1luw h GLU 109 Ca 0.62 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 60.18 1luw h GLU 109 Cb 1.18 -0.22 0.01 0.00 -0.10 0.00 0.00 28.75 29.62 1luw h GLU 109 CO -0.49 0.77 -0.36 0.87 -1.16 0.00 0.00 179.01 178.65 1luw h LYS 110 N 1.09 -0.96 -0.91 2.33 1.79 0.45 -1.02 116.57 119.34 1luw h LYS 110 Ca 0.28 0.07 0.14 0.00 -2.18 0.00 0.00 60.65 58.96 1luw h LYS 110 Cb -0.03 0.22 -0.09 0.00 -1.58 0.00 0.00 32.23 30.75 1luw h LYS 110 CO -0.05 -0.64 0.52 1.25 -1.08 0.00 0.00 179.45 179.45 1luw h LEU 111 N -1.10 0.69 -0.33 2.94 6.46 -0.99 0.13 115.31 123.12 1luw h LEU 111 Ca -0.10 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1luw h LEU 111 Cb 0.76 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 1luw h LEU 111 CO 0.17 0.32 0.20 0.74 -0.62 0.00 0.00 178.44 179.25 1luw h THR 112 N 0.77 1.12 -0.67 1.05 2.02 -0.70 0.60 112.91 117.08 1luw h THR 112 Ca 0.48 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 1luw h THR 112 Cb 0.61 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1luw h THR 112 CO -0.32 0.12 0.29 0.00 0.37 0.00 0.00 175.52 175.97 1luw h ALA 113 N 1.08 0.87 0.24 6.16 0.00 0.18 1.26 119.26 129.04 1luw h ALA 113 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1luw h ALA 113 Cb 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1luw h ALA 113 CO -0.02 0.48 -0.11 0.00 0.00 0.00 0.00 179.25 179.59 1luw h ALA 114 N 1.13 -0.32 -0.48 0.00 0.00 -0.31 0.62 119.26 119.89 1luw h ALA 114 Ca 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1luw h ALA 114 Cb 0.18 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1luw h ALA 114 CO -0.02 -0.64 0.27 0.77 0.00 0.00 0.00 179.25 179.63 1luw h SER 115 N -0.40 0.60 1.30 0.00 0.02 0.57 -1.62 113.55 114.02 1luw h SER 115 Ca -0.03 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1luw h SER 115 Cb 0.30 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1luw h SER 115 CO 0.05 0.50 -0.08 0.58 -1.14 0.00 0.00 176.83 176.75 1luw h VAL 116 N 0.64 0.17 0.00 2.27 2.07 0.17 -3.14 116.25 118.43 1luw h VAL 116 Ca 0.17 -0.88 -0.09 0.00 0.82 0.00 0.00 66.70 66.72 1luw h VAL 116 Cb 0.03 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1luw h VAL 116 CO -0.03 0.08 -0.43 1.23 0.02 0.00 0.00 177.57 178.43 1luw h GLY 117 N 2.68 0.00 -6.81 2.17 0.00 0.13 -3.44 103.07 97.79 1luw h GLY 117 Ca -0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 1luw h GLY 117 CO 0.01 0.00 1.37 -0.62 0.00 0.00 0.00 176.54 177.30 1luw n VAL 118 N -3.96 0.26 -3.06 4.60 0.31 -1.05 -4.91 118.33 110.52 1luw n VAL 118 Ca -0.02 -0.26 -0.43 0.00 -0.01 0.00 0.00 64.34 63.62 1luw n VAL 118 Cb 0.47 -1.79 -0.06 0.00 -0.91 0.00 0.00 33.84 31.54 1luw n VAL 118 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1luw s GLN 119 N 5.85 3.38 0.04 5.55 -0.21 -1.26 -4.84 119.66 128.17 1luw s GLN 119 Ca 1.06 -0.21 0.00 0.00 0.02 0.00 0.00 55.36 56.22 1luw s GLN 119 Cb -0.77 -3.92 0.00 0.00 1.00 0.00 0.00 33.01 29.32 1luw s GLN 119 CO 0.48 -1.00 0.00 0.41 -2.12 0.00 0.00 175.29 173.06 1luw n GLY 120 N 4.96 -1.16 3.83 3.09 0.00 -1.26 -4.96 105.19 109.69 1luw n GLY 120 Ca -0.00 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 1luw n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1luw s SER 121 N -4.00 6.92 0.00 1.61 0.01 -1.26 -4.87 113.70 112.11 1luw s SER 121 Ca 0.00 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.70 1luw s SER 121 Cb 0.00 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1luw s SER 121 CO 0.00 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1luw n GLY 122 N -0.10 -1.53 3.10 3.44 0.00 -1.26 -0.96 105.19 107.88 1luw n GLY 122 Ca 0.03 -1.09 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 1luw n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1luw s TRP 123 N -2.77 0.92 -0.10 1.61 0.52 0.21 -1.58 118.94 117.74 1luw s TRP 123 Ca 0.00 -0.44 -0.01 0.00 0.02 0.00 0.00 56.10 55.67 1luw s TRP 123 Cb 0.00 -0.54 -0.03 0.00 -1.15 0.00 0.00 33.47 31.76 1luw s TRP 123 CO 0.00 -0.01 -0.05 0.20 0.02 0.00 0.00 176.95 177.11 1luw s GLY 124 N -1.49 1.72 0.11 0.98 0.00 -0.61 -0.05 107.32 107.99 1luw s GLY 124 Ca -0.05 -0.85 0.05 0.00 0.00 0.00 0.00 44.72 43.87 1luw s GLY 124 CO 0.01 -0.42 -0.13 -0.98 0.00 0.00 0.00 173.10 171.58 1luw s TRP 125 N -0.36 1.30 -0.40 1.90 0.52 0.28 -0.30 118.94 121.88 1luw s TRP 125 Ca 0.06 -0.57 0.03 0.00 0.02 0.00 0.00 56.10 55.63 1luw s TRP 125 Cb -0.12 -0.69 0.11 0.00 -1.15 0.00 0.00 33.47 31.62 1luw s TRP 125 CO 0.02 0.10 0.13 -1.17 0.02 0.00 0.00 176.95 176.05 1luw s LEU 126 N -2.40 4.74 0.39 2.99 2.96 0.17 -1.91 118.68 125.62 1luw s LEU 126 Ca 0.07 -2.36 0.08 0.00 -0.22 0.00 0.00 54.13 51.70 1luw s LEU 126 Cb -0.05 -1.66 -0.06 0.00 0.50 0.00 0.00 46.19 44.92 1luw s LEU 126 CO 0.02 -0.36 0.10 -0.83 -1.32 0.00 0.00 176.35 173.96 1luw s GLY 127 N 0.72 2.29 -0.13 7.98 0.00 -0.34 -1.16 107.32 116.69 1luw s GLY 127 Ca 0.12 -2.10 -0.02 0.00 0.00 0.00 0.00 44.72 42.72 1luw s GLY 127 CO -0.06 -1.94 -0.08 -0.12 0.00 0.00 0.00 173.10 170.90 1luw s PHE 128 N -2.60 2.93 -0.44 1.90 5.36 0.18 -0.92 117.98 124.40 1luw s PHE 128 Ca 0.38 -0.37 -0.21 0.00 -0.96 0.00 0.00 56.93 55.77 1luw s PHE 128 Cb 0.04 -1.88 0.02 0.00 -0.34 0.00 0.00 43.02 40.86 1luw s PHE 128 CO 0.21 -0.04 0.66 1.21 -1.46 0.00 0.00 175.22 175.80 1luw s ASN 129 N 0.18 6.33 0.15 6.13 3.84 -0.67 -0.74 114.94 130.18 1luw s ASN 129 Ca -0.04 -0.31 -0.15 0.00 0.21 0.00 0.00 52.86 52.57 1luw s ASN 129 Cb -0.14 -2.33 0.03 0.00 -0.55 0.00 0.00 41.25 38.26 1luw s ASN 129 CO 0.04 -0.80 1.76 0.50 -2.79 0.00 0.00 177.10 175.81 1luw h LYS 130 N 8.89 0.66 0.00 0.43 3.11 -1.86 0.03 116.57 127.83 1luw h LYS 130 Ca -0.25 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.51 1luw h LYS 130 Cb 1.09 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.20 1luw h LYS 130 CO 0.90 0.53 0.00 0.39 -2.81 0.00 0.00 179.45 178.46 1luw n GLU 131 N -4.67 0.00 0.20 1.90 4.71 -1.26 -2.74 120.64 118.78 1luw n GLU 131 Ca 0.02 0.43 0.14 0.00 -0.01 0.00 0.00 57.16 57.73 1luw n GLU 131 Cb 0.09 -1.21 0.68 0.00 -1.01 0.00 0.00 31.44 29.99 1luw n GLU 131 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1luw h ARG 132 N 0.00 0.00 -4.76 3.49 -0.00 -2.00 -3.47 114.38 107.64 1luw h ARG 132 Ca 0.00 0.00 -0.23 0.00 -0.50 0.00 0.00 59.98 59.25 1luw h ARG 132 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 29.97 30.10 1luw h ARG 132 CO 0.00 0.00 -0.60 0.41 0.00 0.00 0.00 179.97 179.78 1luw n GLY 133 N -0.75 -0.33 3.65 0.04 0.00 -0.02 -5.03 105.19 102.76 1luw n GLY 133 Ca -0.00 0.10 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 1luw n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1luw s HIS 134 N -3.28 -0.12 0.71 1.61 -3.43 -1.14 -5.02 115.29 104.63 1luw s HIS 134 Ca 0.12 -0.06 -0.14 0.00 -0.80 0.00 0.00 55.06 54.19 1luw s HIS 134 Cb -0.02 0.58 0.03 0.00 -1.43 0.00 0.00 32.58 31.74 1luw s HIS 134 CO 0.55 -0.51 1.13 -0.51 -2.00 0.00 0.00 174.74 173.40 1luw s LEU 135 N -2.81 3.27 -0.03 5.38 1.02 -1.26 -1.67 118.68 122.58 1luw s LEU 135 Ca 0.12 2.04 -0.25 0.00 0.02 0.00 0.00 54.13 56.07 1luw s LEU 135 Cb 0.01 -4.55 0.05 0.00 0.02 0.00 0.00 46.19 41.72 1luw s LEU 135 CO -0.02 -1.93 0.54 -1.58 0.02 0.00 0.00 176.35 173.38 1luw s GLN 136 N -4.26 0.93 0.01 1.70 0.74 -0.09 -4.81 119.66 113.87 1luw s GLN 136 Ca 0.67 0.05 0.04 0.00 0.05 0.00 0.00 55.36 56.17 1luw s GLN 136 Cb -0.22 0.43 -0.03 0.00 1.10 0.00 0.00 33.01 34.29 1luw s GLN 136 CO 0.46 -0.29 -0.09 0.42 -0.55 0.00 0.00 175.29 175.25 1luw s ILE 137 N -1.39 3.51 0.06 -2.34 1.01 -1.26 -1.20 121.20 119.58 1luw s ILE 137 Ca -0.11 -0.83 -0.19 0.00 0.00 0.00 0.00 60.65 59.53 1luw s ILE 137 Cb -0.02 -2.51 0.04 0.00 0.01 0.00 0.00 42.46 39.98 1luw s ILE 137 CO 0.07 0.40 0.43 0.00 0.00 0.00 0.00 174.94 175.84 1luw s ALA 138 N -0.97 -1.07 -0.03 9.38 0.00 -0.80 -4.97 121.76 123.29 1luw s ALA 138 Ca 0.16 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.50 1luw s ALA 138 Cb -0.11 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1luw s ALA 138 CO 0.07 -0.50 -0.20 0.00 0.00 0.00 0.00 175.76 175.13 1luw s ALA 139 N -2.70 2.41 -0.05 0.00 0.00 -1.26 0.10 121.76 120.27 1luw s ALA 139 Ca -0.04 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 50.91 1luw s ALA 139 Cb -0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 23.12 22.36 1luw s ALA 139 CO -0.04 0.54 -0.19 0.00 0.00 0.00 0.00 175.76 176.08 1luw s PRO 141 N 0.03 3.78 1.67 0.00 0.04 -1.26 0.64 135.00 139.90 1luw s PRO 141 Ca -0.05 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1luw s PRO 141 Cb -0.12 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1luw s PRO 141 CO 0.03 -0.42 0.00 0.09 0.04 0.00 0.00 177.00 176.74 1luw n ASN 142 N -1.54 0.00 -0.52 6.66 3.02 -0.13 -1.60 115.26 121.15 1luw n ASN 142 Ca 0.08 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.67 1luw n ASN 142 Cb 0.54 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.84 1luw n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1luw n GLN 143 N 11.48 2.86 -1.61 3.52 1.13 -1.26 -4.13 117.38 129.37 1luw n GLN 143 Ca 0.00 -2.03 -0.48 0.00 -1.94 0.00 0.00 57.00 52.55 1luw n GLN 143 Cb 0.00 -1.28 -0.05 0.00 0.11 0.00 0.00 30.24 29.03 1luw n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1luw n ASP 144 N 0.15 3.14 -4.77 1.08 10.43 -0.63 -3.93 116.55 122.02 1luw n ASP 144 Ca 0.10 0.69 -0.41 0.00 2.57 0.00 0.00 54.79 57.75 1luw n ASP 144 Cb 0.44 -1.39 -0.02 0.00 1.84 0.00 0.00 41.12 41.99 1luw n ASP 144 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1luw s PRO 145 N 5.03 4.35 0.10 -0.24 0.04 -1.26 -4.71 135.00 138.31 1luw s PRO 145 Ca 0.98 2.22 -0.32 0.00 0.04 0.00 0.00 61.00 63.92 1luw s PRO 145 Cb -0.65 -3.07 -0.13 0.00 0.04 0.00 0.00 34.50 30.69 1luw s PRO 145 CO 0.48 -0.19 1.60 1.25 0.04 0.00 0.00 177.00 180.17 1luw h LEU 146 N 3.37 -1.09 -0.25 -3.56 6.46 -1.89 -2.12 115.31 116.22 1luw h LEU 146 Ca -0.49 0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.34 1luw h LEU 146 Cb 1.23 0.38 -0.01 0.00 -0.73 0.00 0.00 40.66 41.52 1luw h LEU 146 CO 0.65 -0.52 0.03 -0.61 -0.62 0.00 0.00 178.44 177.37 1luw h GLN 147 N -0.75 0.42 0.00 1.25 4.15 -1.89 0.16 115.11 118.45 1luw h GLN 147 Ca -0.02 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1luw h GLN 147 Cb 0.70 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.34 1luw h GLN 147 CO -0.11 0.56 0.00 0.78 -1.93 0.00 0.00 178.83 178.13 1luw h GLY 148 N 0.22 0.00 0.00 2.39 0.00 -1.88 0.34 103.07 104.14 1luw h GLY 148 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1luw h GLY 148 CO 0.01 0.00 -1.62 2.41 0.00 0.00 0.00 176.54 177.33 1luw n THR 149 N -3.03 0.00 0.00 4.70 -1.04 -0.80 -4.72 114.28 109.38 1luw n THR 149 Ca -0.00 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1luw n THR 149 Cb 0.25 0.26 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1luw n THR 149 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1luw n THR 150 N -1.98 0.00 -0.61 12.58 -2.24 0.55 -5.02 114.28 117.55 1luw n THR 150 Ca -0.02 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1luw n THR 150 Cb 0.42 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 1luw n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1luw n GLY 151 N 0.15 1.45 3.75 3.38 0.00 0.12 -4.99 105.19 109.05 1luw n GLY 151 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1luw n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1luw s LEU 152 N 0.00 4.60 -0.32 0.99 1.43 -1.26 -4.75 118.68 119.38 1luw s LEU 152 Ca 0.00 1.85 -0.29 0.00 -1.03 0.00 0.00 54.13 54.66 1luw s LEU 152 Cb 0.00 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.69 1luw s LEU 152 CO 0.00 0.11 1.15 -0.63 0.23 0.00 0.00 176.35 177.20 1luw s ILE 153 N -0.86 4.38 0.33 -0.59 -1.09 0.09 -3.14 121.20 120.32 1luw s ILE 153 Ca 0.42 1.58 -0.29 0.00 -2.23 0.00 0.00 60.65 60.13 1luw s ILE 153 Cb -0.25 -4.34 -0.10 0.00 -1.58 0.00 0.00 42.46 36.18 1luw s ILE 153 CO 0.30 -0.50 1.36 -2.16 -1.23 0.00 0.00 174.94 172.71 1luw s PRO 154 N 3.83 4.30 0.00 2.79 0.04 -1.26 0.48 135.00 145.17 1luw s PRO 154 Ca 0.49 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.82 1luw s PRO 154 Cb -0.13 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1luw s PRO 154 CO 0.18 -0.29 0.00 1.28 0.04 0.00 0.00 177.00 178.22 1luw n LEU 155 N 0.97 1.31 -3.67 -3.56 4.77 -0.31 -4.87 117.00 111.64 1luw n LEU 155 Ca 0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 1luw n LEU 155 Cb 0.41 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 1luw n LEU 155 CO 0.60 0.19 -0.10 -0.22 -1.33 0.00 0.00 177.39 176.53 1luw s LEU 156 N -5.32 -0.25 0.09 2.23 0.20 -0.58 -4.53 118.68 110.53 1luw s LEU 156 Ca 0.00 0.66 0.09 0.00 0.69 0.00 0.00 54.13 55.57 1luw s LEU 156 Cb 0.00 0.83 -0.04 0.00 -0.43 0.00 0.00 46.19 46.55 1luw s LEU 156 CO 0.00 -0.23 -0.23 -0.83 -0.29 0.00 0.00 176.35 174.77 1luw s GLY 157 N 2.24 1.56 -0.20 7.98 0.00 -1.26 0.45 107.32 118.09 1luw s GLY 157 Ca -0.01 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1luw s GLY 157 CO -0.09 -1.29 -0.07 -0.42 0.00 0.00 0.00 173.10 171.23 1luw s ILE 158 N -0.99 1.48 -0.06 0.90 1.01 0.59 -4.86 121.20 119.26 1luw s ILE 158 Ca 0.14 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 1luw s ILE 158 Cb -0.10 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1luw s ILE 158 CO 0.06 0.06 1.45 -0.62 0.00 0.00 0.00 174.94 175.89 1luw s ASP 159 N 1.45 6.81 -0.20 3.58 3.68 -1.26 -1.58 116.67 129.15 1luw s ASP 159 Ca -0.02 2.04 0.14 0.00 2.13 0.00 0.00 52.55 56.84 1luw s ASP 159 Cb -0.17 -2.55 0.43 0.00 -1.45 0.00 0.00 42.92 39.18 1luw s ASP 159 CO -0.07 -0.80 1.31 1.33 0.13 0.00 0.00 175.17 177.06 1luw n VAL 160 N 5.13 2.23 -2.45 1.11 0.24 -0.61 -4.88 118.33 119.09 1luw n VAL 160 Ca 0.15 -2.53 -0.39 0.00 -2.04 0.00 0.00 64.34 59.53 1luw n VAL 160 Cb 0.44 -0.27 -0.04 0.00 -1.47 0.00 0.00 33.84 32.50 1luw n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1luw s TRP 161 N -3.05 3.42 0.53 6.34 0.52 -1.23 -4.48 118.94 121.00 1luw s TRP 161 Ca 0.39 1.66 0.30 0.00 0.02 0.00 0.00 56.10 58.47 1luw s TRP 161 Cb 0.35 -3.28 1.46 0.00 -1.15 0.00 0.00 33.47 30.84 1luw s TRP 161 CO 0.01 -0.73 1.91 0.93 0.02 0.00 0.00 176.95 179.09 1luw h GLU 162 N 3.34 0.01 0.00 4.98 5.08 -1.95 0.22 114.58 126.27 1luw h GLU 162 Ca -0.47 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1luw h GLU 162 Cb 1.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1luw h GLU 162 CO 0.65 0.00 0.00 -2.39 -1.00 0.00 0.00 179.01 176.28 1luw n HIS 163 N -4.30 0.18 1.38 4.33 1.44 -1.26 0.19 115.22 117.19 1luw n HIS 163 Ca 0.17 0.08 0.13 0.00 -2.01 0.00 0.00 57.72 56.09 1luw n HIS 163 Cb 0.88 -0.63 0.45 0.00 0.12 0.00 0.00 29.99 30.82 1luw n HIS 163 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1luw n ALA 164 N -1.56 2.55 -0.17 1.59 0.00 0.79 -4.63 120.51 119.07 1luw n ALA 164 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1luw n ALA 164 Cb 0.12 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1luw n ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1luw n TYR 165 N 0.35 0.00 0.08 0.00 4.11 -0.82 -4.97 117.16 115.91 1luw n TYR 165 Ca 0.18 0.00 0.20 0.00 -0.00 0.00 0.00 57.90 58.28 1luw n TYR 165 Cb 0.38 0.00 0.75 0.00 -0.00 0.00 0.00 39.34 40.47 1luw n TYR 165 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1luw h TYR 166 N 0.00 0.00 0.21 -3.48 3.20 -0.42 0.24 116.97 116.72 1luw h TYR 166 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1luw h TYR 166 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1luw h TYR 166 CO 0.00 0.00 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.35 1luw h LEU 167 N 0.00 -0.23 0.33 2.82 -0.00 -1.87 -2.90 115.31 113.47 1luw h LEU 167 Ca 0.19 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.06 1luw h LEU 167 Cb 0.93 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 1luw h LEU 167 CO -0.00 -0.13 -0.16 -0.61 -0.00 0.00 0.00 178.44 177.53 1luw h GLN 168 N -0.34 -0.43 -0.44 1.13 4.15 -1.80 -3.34 115.11 114.04 1luw h GLN 168 Ca -0.03 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1luw h GLN 168 Cb 0.21 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1luw h GLN 168 CO 0.05 -0.29 0.00 0.66 -1.93 0.00 0.00 178.83 177.32 1luw n TYR 169 N -3.56 0.52 -2.64 3.99 4.02 0.78 -5.02 117.16 115.25 1luw n TYR 169 Ca -0.06 -0.22 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 1luw n TYR 169 Cb 0.18 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 1luw n TYR 169 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1luw n LYS 170 N 0.35 0.00 -0.05 -0.72 4.01 -1.09 -2.37 118.16 118.29 1luw n LYS 170 Ca 0.10 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.96 1luw n LYS 170 Cb 0.35 0.00 0.27 0.00 -0.51 0.00 0.00 35.03 35.14 1luw n LYS 170 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1luw n ASN 171 N -1.21 0.64 -4.27 4.39 6.94 -1.26 -4.16 115.26 116.33 1luw n ASN 171 Ca 0.00 -1.76 -0.44 0.00 -0.02 0.00 0.00 54.58 52.36 1luw n ASN 171 Cb 0.00 -0.06 -0.05 0.00 -2.36 0.00 0.00 39.78 37.31 1luw n ASN 171 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1luw s VAL 172 N -1.88 5.04 0.18 3.53 1.01 -1.00 -4.93 120.40 122.36 1luw s VAL 172 Ca 0.19 -2.40 -0.10 0.00 0.00 0.00 0.00 61.98 59.67 1luw s VAL 172 Cb 0.09 -4.17 0.09 0.00 0.00 0.00 0.00 36.38 32.40 1luw s VAL 172 CO 0.15 -0.96 1.71 -0.09 0.00 0.00 0.00 175.10 175.91 1luw h ARG 173 N 7.81 1.02 -0.88 2.72 2.43 -1.81 -3.02 114.38 122.64 1luw h ARG 173 Ca 0.00 -0.23 0.23 0.00 -0.81 0.00 0.00 59.98 59.18 1luw h ARG 173 Cb 1.03 -0.14 -0.13 0.00 -0.42 0.00 0.00 29.97 30.30 1luw h ARG 173 CO 0.79 0.90 0.30 -1.35 -1.51 0.00 0.00 179.97 179.10 1luw h PRO 174 N 0.94 0.27 -1.00 0.20 0.11 -1.95 0.83 132.00 131.40 1luw h PRO 174 Ca 0.21 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 66.44 1luw h PRO 174 Cb 0.32 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 31.28 1luw h PRO 174 CO -0.00 0.18 0.62 -0.44 -0.21 0.00 0.00 178.00 178.15 1luw h ASP 175 N 0.28 0.89 -0.18 -2.05 5.19 -1.89 0.44 116.42 119.10 1luw h ASP 175 Ca 0.56 0.06 -0.06 0.00 -0.62 0.00 0.00 57.03 56.97 1luw h ASP 175 Cb 1.11 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.51 1luw h ASP 175 CO -0.61 0.43 -0.13 0.22 -3.12 0.00 0.00 179.24 176.03 1luw h TYR 176 N 0.93 0.47 0.22 4.55 -0.00 0.52 -2.21 116.97 121.46 1luw h TYR 176 Ca 0.52 -0.13 -0.01 0.00 -0.00 0.00 0.00 58.73 59.10 1luw h TYR 176 Cb 0.59 -0.10 0.00 0.00 -0.00 0.00 0.00 36.73 37.22 1luw h TYR 176 CO -0.01 0.75 -0.11 -0.07 -0.00 0.00 0.00 178.16 178.72 1luw h LEU 177 N 0.07 -0.25 -0.74 2.82 -0.00 -0.20 0.33 115.31 117.34 1luw h LEU 177 Ca 0.03 -0.04 0.14 0.00 -0.00 0.00 0.00 57.88 58.02 1luw h LEU 177 Cb 0.65 0.07 -0.10 0.00 -0.00 0.00 0.00 40.66 41.28 1luw h LEU 177 CO 0.04 -0.13 0.26 0.11 -0.00 0.00 0.00 178.44 178.72 1luw h LYS 178 N -0.36 0.38 0.25 1.13 1.57 -0.19 -2.57 116.57 116.78 1luw h LYS 178 Ca -0.03 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1luw h LYS 178 Cb 0.28 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1luw h LYS 178 CO 0.05 0.25 -0.12 0.00 -0.57 0.00 0.00 179.45 179.06 1luw h ALA 179 N 1.56 -0.33 -0.91 3.86 0.00 -1.11 -3.26 119.26 119.06 1luw h ALA 179 Ca 0.41 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 55.40 1luw h ALA 179 Cb 0.64 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1luw h ALA 179 CO -0.43 -0.50 0.75 0.97 0.00 0.00 0.00 179.25 180.04 1luw h ILE 180 N -0.70 0.37 -0.02 0.00 2.10 -0.53 0.13 117.51 118.87 1luw h ILE 180 Ca -0.03 0.00 0.01 0.00 1.08 0.00 0.00 64.86 65.91 1luw h ILE 180 Cb 0.48 0.45 -0.00 0.00 -1.09 0.00 0.00 36.82 36.66 1luw h ILE 180 CO 0.06 0.00 0.02 -0.50 -1.08 0.00 0.00 178.15 176.65 1luw h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.56 -0.10 115.95 120.55 1luw h TRP 181 Ca 0.43 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.38 1luw h TRP 181 Cb 1.93 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.09 1luw h TRP 181 CO 0.00 0.00 0.00 -0.91 -3.56 0.00 0.00 178.44 173.97 1luw h ASN 182 N 0.00 0.00 0.00 -3.49 2.35 -0.92 -3.32 115.58 110.20 1luw h ASN 182 Ca 0.01 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.39 1luw h ASN 182 Cb 0.05 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.36 1luw h ASN 182 CO -0.00 0.00 -2.39 0.52 -1.65 0.00 0.00 177.43 173.91 1luw n VAL 183 N -2.81 1.39 -1.14 2.81 0.31 -0.08 -2.93 118.33 115.90 1luw n VAL 183 Ca 0.02 -0.74 -0.45 0.00 -0.01 0.00 0.00 64.34 63.17 1luw n VAL 183 Cb 0.33 -0.82 -0.06 0.00 -0.91 0.00 0.00 33.84 32.39 1luw n VAL 183 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1luw n ILE 184 N -2.92 0.00 -2.91 2.52 5.41 -1.03 -2.33 119.36 118.10 1luw n ILE 184 Ca -0.37 0.00 -0.44 0.00 1.00 0.00 0.00 62.75 62.94 1luw n ILE 184 Cb 1.08 -0.09 0.00 0.00 -0.71 0.00 0.00 39.64 39.92 1luw n ILE 184 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1luw n ASN 185 N 1.54 5.20 0.10 4.38 2.85 0.61 -1.01 115.26 128.94 1luw n ASN 185 Ca 0.17 -2.98 0.06 0.00 -0.11 0.00 0.00 54.58 51.72 1luw n ASN 185 Cb 0.03 -1.58 0.32 0.00 1.24 0.00 0.00 39.78 39.79 1luw n ASN 185 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1luw n TRP 186 N 5.76 0.40 0.06 1.20 7.02 -1.26 -0.87 117.44 129.74 1luw n TRP 186 Ca 0.38 0.21 -0.10 0.00 -1.02 0.00 0.00 57.50 56.97 1luw n TRP 186 Cb 0.43 -0.75 0.02 0.00 -2.42 0.00 0.00 31.31 28.59 1luw n TRP 186 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1luw h GLU 187 N 0.00 0.37 0.03 -0.99 4.81 -1.95 -2.77 114.58 114.09 1luw h GLU 187 Ca 0.00 -0.32 -0.12 0.00 -0.13 0.00 0.00 59.36 58.79 1luw h GLU 187 Cb 0.21 0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.67 1luw h GLU 187 CO 0.00 0.97 -0.47 -0.97 -0.73 0.00 0.00 179.01 177.81 1luw h ASN 188 N 0.25 0.36 -0.84 1.04 -0.73 -1.29 -3.00 115.58 111.38 1luw h ASN 188 Ca -0.04 -0.83 0.14 0.00 1.87 0.00 0.00 56.30 57.44 1luw h ASN 188 Cb 1.35 -0.11 -0.06 0.00 0.27 0.00 0.00 38.32 39.76 1luw h ASN 188 CO 0.13 1.15 0.55 0.58 -0.37 0.00 0.00 177.43 179.47 1luw h VAL 189 N -0.39 0.84 -0.38 2.57 2.07 -1.56 0.40 116.25 119.79 1luw h VAL 189 Ca -0.07 -0.21 -0.14 0.00 0.82 0.00 0.00 66.70 67.10 1luw h VAL 189 Cb 1.25 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1luw h VAL 189 CO 0.09 0.11 -0.32 0.74 0.02 0.00 0.00 177.57 178.21 1luw h THR 190 N 0.61 1.28 -0.65 2.57 2.02 -1.53 0.11 112.91 117.31 1luw h THR 190 Ca 0.41 -1.49 -0.05 0.00 0.77 0.00 0.00 66.41 66.05 1luw h THR 190 Cb 0.73 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 1luw h THR 190 CO -0.17 0.50 0.22 -0.33 0.37 0.00 0.00 175.52 176.11 1luw h GLU 191 N 0.70 1.00 -0.42 6.66 5.08 -0.84 0.23 114.58 126.99 1luw h GLU 191 Ca 0.07 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 1luw h GLU 191 Cb 0.91 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1luw h GLU 191 CO 0.08 0.86 -0.04 0.00 -1.00 0.00 0.00 179.01 178.92 1luw h ARG 192 N 0.93 0.76 -0.86 2.33 3.08 -1.03 -1.07 114.38 118.53 1luw h ARG 192 Ca 0.21 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1luw h ARG 192 Cb 0.27 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 1luw h ARG 192 CO -0.01 0.86 0.48 -0.92 -1.07 0.00 0.00 179.97 179.31 1luw h TYR 193 N 0.59 1.16 -0.03 3.04 5.03 -0.33 -2.78 116.97 123.65 1luw h TYR 193 Ca 0.11 -0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.25 1luw h TYR 193 Cb 0.54 -0.37 -0.01 0.00 1.55 0.00 0.00 36.73 38.43 1luw h TYR 193 CO 0.04 0.80 -0.67 0.52 -1.32 0.00 0.00 178.16 177.53 1luw h MET 194 N 1.19 0.14 0.00 1.82 2.86 -0.39 -3.14 114.93 117.40 1luw h MET 194 Ca 0.30 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1luw h MET 194 Cb 0.01 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 1luw h MET 194 CO -0.05 0.75 -0.03 0.00 1.06 0.00 0.00 176.91 178.64 1luw h ALA 195 N 1.22 1.22 -0.25 6.32 0.00 -0.90 -2.84 119.26 124.02 1luw h ALA 195 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1luw h ALA 195 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1luw h ALA 195 CO 0.10 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1luw h LYS 197 N 1.47 0.00 0.00 0.00 1.57 -1.51 -3.49 116.57 114.61 1luw h LYS 197 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1luw h LYS 197 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1luw h LYS 197 CO 0.01 0.85 0.00 1.17 -0.57 0.00 0.00 179.45 180.91