#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m8a s MET 1 N 0.00 0.10 -0.07 0.00 1.00 -1.26 -5.07 119.30 114.01 3m8a s MET 1 Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 55.69 56.03 3m8a s MET 1 Cb 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 34.83 34.73 3m8a s MET 1 CO 0.00 -0.13 -0.10 0.34 0.00 0.00 0.00 175.02 175.13 3m8a s ASP 2 N 0.89 1.70 0.41 3.03 -1.08 -1.26 -5.05 116.67 115.32 3m8a s ASP 2 Ca -0.07 -0.27 0.15 0.00 -0.52 0.00 0.00 52.55 51.84 3m8a s ASP 2 Cb -0.09 -0.77 0.88 0.00 -1.46 0.00 0.00 42.92 41.48 3m8a s ASP 2 CO -0.04 0.00 1.89 0.77 0.52 0.00 0.00 175.17 178.31 3m8a h SER 3 N 7.16 0.00 0.01 -0.34 4.64 -2.01 -2.16 113.55 120.85 3m8a h SER 3 Ca -0.32 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.82 3m8a h SER 3 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3m8a h SER 3 CO 0.47 0.29 -0.66 0.78 -0.87 0.00 0.00 176.83 176.84 3m8a h ASN 4 N 0.00 0.71 -0.44 4.97 -0.26 -1.98 -1.33 115.58 117.24 3m8a h ASN 4 Ca -0.00 -0.42 -0.04 0.00 -0.56 0.00 0.00 56.30 55.28 3m8a h ASN 4 Cb 0.54 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.58 3m8a h ASN 4 CO 0.04 1.18 0.15 0.74 -1.06 0.00 0.00 177.43 178.48 3m8a h THR 5 N 0.44 1.20 -0.02 2.81 2.02 -1.90 0.66 112.91 118.12 3m8a h THR 5 Ca -0.02 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 3m8a h THR 5 Cb 1.24 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3m8a h THR 5 CO 0.13 0.26 -0.07 0.24 0.37 0.00 0.00 175.52 176.44 3m8a h MET 6 N 0.72 0.08 -0.27 6.66 2.86 -1.27 -2.30 114.93 121.40 3m8a h MET 6 Ca 0.17 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3m8a h MET 6 Cb 0.21 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3m8a h MET 6 CO -0.01 0.71 -0.01 0.66 1.06 0.00 0.00 176.91 179.33 3m8a h SER 7 N -0.54 0.38 -0.42 1.22 4.64 -1.15 -1.07 113.55 116.61 3m8a h SER 7 Ca -0.00 -0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.15 3m8a h SER 7 Cb 0.73 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 3m8a h SER 7 CO 0.01 0.45 -0.11 0.28 -0.87 0.00 0.00 176.83 176.59 3m8a h SER 8 N 0.40 0.87 -0.18 4.97 0.02 -0.86 -1.57 113.55 117.21 3m8a h SER 8 Ca 0.09 -0.27 -0.18 0.00 -0.84 0.00 0.00 61.79 60.59 3m8a h SER 8 Cb 0.28 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 3m8a h SER 8 CO 0.01 0.99 -0.56 0.15 -1.14 0.00 0.00 176.83 176.28 3m8a h PHE 9 N 0.79 0.97 0.34 3.45 3.57 -0.99 -2.37 116.94 122.70 3m8a h PHE 9 Ca 0.13 -0.35 -0.02 0.00 3.53 0.00 0.00 57.97 61.26 3m8a h PHE 9 Cb 0.62 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.19 3m8a h PHE 9 CO 0.04 1.15 -0.16 1.96 -2.23 0.00 0.00 178.31 179.06 3m8a h GLN 10 N 0.59 -0.44 -0.57 1.11 4.20 -0.94 -0.90 115.11 118.16 3m8a h GLN 10 Ca 0.01 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.76 3m8a h GLN 10 Cb 1.15 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 29.00 3m8a h GLN 10 CO 0.12 -0.24 0.37 -0.24 -0.67 0.00 0.00 178.83 178.16 3m8a h VAL 11 N -0.53 1.12 -0.93 -0.54 3.04 -1.35 -1.92 116.25 115.14 3m8a h VAL 11 Ca -0.05 -0.26 0.01 0.00 -1.01 0.00 0.00 66.70 65.40 3m8a h VAL 11 Cb 0.40 0.31 -0.05 0.00 -2.01 0.00 0.00 31.29 29.94 3m8a h VAL 11 CO 0.08 0.14 0.61 0.44 -1.01 0.00 0.00 177.57 177.83 3m8a h ASP 12 N 0.75 1.06 -0.36 3.17 3.32 -1.36 0.12 116.42 123.11 3m8a h ASP 12 Ca 0.21 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 3m8a h ASP 12 Cb -0.06 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 3m8a h ASP 12 CO -0.06 0.76 0.14 0.00 -1.72 0.00 0.00 179.24 178.36 3m8a h PHE 14 N 0.44 0.96 -0.09 0.00 3.57 -0.87 -2.66 116.94 118.30 3m8a h PHE 14 Ca 0.12 -0.35 -0.07 0.00 3.53 0.00 0.00 57.97 61.21 3m8a h PHE 14 Cb 0.19 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3m8a h PHE 14 CO -0.00 1.14 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.90 3m8a h LEU 15 N 0.58 0.14 -0.63 0.59 3.38 -0.69 -2.10 115.31 116.58 3m8a h LEU 15 Ca 0.01 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3m8a h LEU 15 Cb 1.15 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3m8a h LEU 15 CO 0.12 0.40 -0.04 -0.25 0.09 0.00 0.00 178.44 178.76 3m8a h TRP 16 N 0.14 1.14 -0.81 1.13 7.01 -1.15 -2.21 115.95 121.19 3m8a h TRP 16 Ca 0.02 -0.21 -0.01 0.00 2.11 0.00 0.00 58.89 60.81 3m8a h TRP 16 Cb 0.52 -0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 27.25 3m8a h TRP 16 CO 0.01 1.02 0.46 1.25 -2.79 0.00 0.00 178.44 178.39 3m8a h HIS 17 N 0.94 1.09 -0.19 2.65 2.76 -1.03 0.28 115.15 121.65 3m8a h HIS 17 Ca 0.16 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3m8a h HIS 17 Cb 0.59 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 3m8a h HIS 17 CO 0.04 0.74 0.07 0.82 -1.30 0.00 0.00 177.93 178.31 3m8a h ILE 18 N 1.13 1.16 -0.74 6.26 1.08 -1.13 -1.67 117.51 123.59 3m8a h ILE 18 Ca 0.29 -0.48 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 3m8a h ILE 18 Cb -0.00 1.13 -0.04 0.00 -3.07 0.00 0.00 36.82 34.85 3m8a h ILE 18 CO -0.05 0.15 0.43 0.03 -0.69 0.00 0.00 178.15 178.03 3m8a h ARG 19 N 0.15 1.02 -0.00 2.37 3.08 -1.10 -1.18 114.38 118.71 3m8a h ARG 19 Ca 0.06 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3m8a h ARG 19 Cb 0.17 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3m8a h ARG 19 CO -0.01 0.73 0.00 -0.22 -1.07 0.00 0.00 179.97 179.40 3m8a h LYS 20 N 1.03 0.00 -0.71 0.04 1.63 -0.69 -0.39 116.57 117.48 3m8a h LYS 20 Ca 0.27 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.06 3m8a h LYS 20 Cb -0.02 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 3m8a h LYS 20 CO -0.05 0.22 0.44 0.00 -3.45 0.00 0.00 179.45 176.61 3m8a h ARG 21 N -0.22 0.95 -0.19 1.90 2.47 -1.07 0.13 114.38 118.35 3m8a h ARG 21 Ca 0.00 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 3m8a h ARG 21 Cb 0.22 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 3m8a h ARG 21 CO -0.00 0.66 0.06 0.35 0.56 0.00 0.00 179.97 181.60 3m8a h PHE 22 N 0.97 0.30 -0.75 3.04 3.57 -1.02 -2.57 116.94 120.48 3m8a h PHE 22 Ca 0.26 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 3m8a h PHE 22 Cb -0.06 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 3m8a h PHE 22 CO 0.00 0.38 0.38 0.00 -2.23 0.00 0.00 178.31 176.85 3m8a h ALA 23 N 0.89 0.97 0.00 2.41 0.00 -0.60 -1.99 119.26 120.94 3m8a h ALA 23 Ca 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3m8a h ALA 23 Cb 0.22 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3m8a h ALA 23 CO -0.00 0.51 -0.01 -0.44 0.00 0.00 0.00 179.25 179.31 3m8a h ASP 24 N 1.05 0.00 -0.09 0.00 3.32 -0.60 -1.13 116.42 118.97 3m8a h ASP 24 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3m8a h ASP 24 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3m8a h ASP 24 CO -0.04 0.01 0.00 0.59 -1.72 0.00 0.00 179.24 178.08 3m8a n ASN 25 N -4.07 0.98 -0.93 6.45 3.02 -0.75 -4.92 115.26 115.04 3m8a n ASN 25 Ca -0.03 -1.56 -0.09 0.00 -0.03 0.00 0.00 54.58 52.87 3m8a n ASN 25 Cb 0.10 -0.06 -0.01 0.00 -0.61 0.00 0.00 39.78 39.20 3m8a n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m8a n GLY 26 N 1.00 0.18 0.08 7.41 0.00 -0.43 -4.94 105.19 108.48 3m8a n GLY 26 Ca 0.16 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 45.73 3m8a n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m8a n LEU 27 N -1.19 1.14 -4.80 0.99 4.77 -1.18 -4.97 117.00 111.76 3m8a n LEU 27 Ca -0.10 -0.52 -0.38 0.00 -0.03 0.00 0.00 56.01 54.98 3m8a n LEU 27 Cb 0.53 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 3m8a n LEU 27 CO 0.12 0.27 0.44 -0.83 -1.33 0.00 0.00 177.39 176.05 3m8a s GLY 28 N -2.92 2.74 0.75 -0.72 0.00 -1.26 -4.98 107.32 100.92 3m8a s GLY 28 Ca 0.10 0.24 -0.06 0.00 0.00 0.00 0.00 44.72 45.00 3m8a s GLY 28 CO 0.82 0.66 1.04 0.51 0.00 0.00 0.00 173.10 176.14 3m8a s ASP 29 N -1.41 4.37 0.15 1.64 -4.77 -1.26 -4.86 116.67 110.52 3m8a s ASP 29 Ca 0.39 0.10 -0.18 0.00 -3.30 0.00 0.00 52.55 49.56 3m8a s ASP 29 Cb -0.19 -0.56 0.04 0.00 -1.09 0.00 0.00 42.92 41.11 3m8a s ASP 29 CO 0.23 -1.87 1.70 0.00 0.70 0.00 0.00 175.17 175.93 3m8a h ALA 30 N -0.72 0.25 -0.93 2.11 0.00 -1.99 -1.83 119.26 116.15 3m8a h ALA 30 Ca -0.41 0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.63 3m8a h ALA 30 Cb 1.28 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 3m8a h ALA 30 CO 0.48 -0.43 0.61 -1.35 0.00 0.00 0.00 179.25 178.56 3m8a h PRO 31 N 0.06 1.12 -0.47 0.00 0.11 -1.99 -1.16 132.00 129.67 3m8a h PRO 31 Ca 0.14 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 3m8a h PRO 31 Cb 0.20 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 3m8a h PRO 31 CO -0.26 0.74 0.29 0.35 -0.21 0.00 0.00 178.00 178.91 3m8a h PHE 32 N 1.16 0.62 -0.08 0.65 3.57 -1.83 -0.71 116.94 120.32 3m8a h PHE 32 Ca 0.37 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.79 3m8a h PHE 32 Cb 0.03 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3m8a h PHE 32 CO -0.00 0.43 -0.34 -0.07 -2.23 0.00 0.00 178.31 176.10 3m8a h LEU 33 N 0.63 0.16 -0.15 0.59 3.38 -0.90 -0.85 115.31 118.16 3m8a h LEU 33 Ca 0.17 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3m8a h LEU 33 Cb -0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3m8a h LEU 33 CO -0.03 0.49 -0.07 -0.78 0.09 0.00 0.00 178.44 178.14 3m8a h ASP 34 N 0.14 0.32 -0.94 -0.43 3.58 -0.78 -1.95 116.42 116.36 3m8a h ASP 34 Ca 0.02 -0.41 -0.00 0.00 0.42 0.00 0.00 57.03 57.06 3m8a h ASP 34 Cb 0.67 -0.09 -0.05 0.00 1.72 0.00 0.00 39.33 41.59 3m8a h ASP 34 CO 0.05 0.66 0.59 0.03 -2.88 0.00 0.00 179.24 177.68 3m8a h ARG 35 N -0.02 1.26 -0.41 0.28 3.08 -0.92 -1.72 114.38 115.93 3m8a h ARG 35 Ca 0.03 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3m8a h ARG 35 Cb 0.53 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3m8a h ARG 35 CO 0.02 0.86 0.25 1.25 -1.07 0.00 0.00 179.97 181.28 3m8a h LEU 36 N 1.29 0.50 0.07 3.04 5.85 -1.05 -0.71 115.31 124.29 3m8a h LEU 36 Ca 0.34 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 3m8a h LEU 36 Cb -0.09 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.82 3m8a h LEU 36 CO -0.07 0.41 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.32 3m8a h ARG 37 N 0.54 -0.09 -0.38 1.25 2.43 -1.00 -2.23 114.38 114.90 3m8a h ARG 37 Ca 0.15 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3m8a h ARG 37 Cb 0.00 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3m8a h ARG 37 CO -0.03 0.16 0.23 0.00 -1.51 0.00 0.00 179.97 178.83 3m8a h ARG 38 N -0.34 0.52 -0.38 0.20 3.08 -1.27 -2.91 114.38 113.28 3m8a h ARG 38 Ca -0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3m8a h ARG 38 Cb 0.29 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3m8a h ARG 38 CO 0.02 0.39 0.10 -0.44 -1.07 0.00 0.00 179.97 178.97 3m8a h ASP 39 N 0.50 0.51 -0.57 7.04 5.19 -1.14 -1.75 116.42 126.20 3m8a h ASP 39 Ca 0.14 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 3m8a h ASP 39 Cb 0.00 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.36 3m8a h ASP 39 CO -0.03 0.50 0.25 -0.61 -3.12 0.00 0.00 179.24 176.24 3m8a h GLN 40 N 0.55 0.83 -0.01 3.56 4.15 -1.20 -0.55 115.11 122.44 3m8a h GLN 40 Ca 0.13 -0.13 -0.18 0.00 0.77 0.00 0.00 58.65 59.24 3m8a h GLN 40 Cb 0.20 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 3m8a h GLN 40 CO -0.01 0.69 -0.80 1.57 -1.93 0.00 0.00 178.83 178.36 3m8a h LYS 41 N 0.77 0.12 -0.66 1.69 2.10 -1.41 -2.51 116.57 116.66 3m8a h LYS 41 Ca 0.19 -0.12 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 3m8a h LYS 41 Cb 0.15 0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.49 3m8a h LYS 41 CO -0.02 0.86 0.38 1.03 -2.00 0.00 0.00 179.45 179.70 3m8a h SER 42 N 0.07 0.81 0.16 7.07 0.87 -1.08 -1.76 113.55 119.70 3m8a h SER 42 Ca -0.03 -0.08 -0.13 0.00 -1.23 0.00 0.00 61.79 60.33 3m8a h SER 42 Cb 1.40 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 3m8a h SER 42 CO 0.12 0.66 -0.47 -0.07 -0.53 0.00 0.00 176.83 176.53 3m8a h LEU 43 N 0.90 0.39 -0.58 2.23 3.38 -1.06 -1.02 115.31 119.55 3m8a h LEU 43 Ca 0.24 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3m8a h LEU 43 Cb 0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3m8a h LEU 43 CO -0.04 0.81 0.20 0.11 0.09 0.00 0.00 178.44 179.61 3m8a h LYS 44 N 0.29 0.89 -0.25 1.13 1.57 -1.12 -0.54 116.57 118.55 3m8a h LYS 44 Ca 0.02 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3m8a h LYS 44 Cb 0.94 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 3m8a h LYS 44 CO 0.08 0.78 0.05 0.78 -0.57 0.00 0.00 179.45 180.57 3m8a h GLY 45 N 0.81 0.43 1.00 3.86 0.00 -1.16 -2.33 103.07 105.68 3m8a h GLY 45 Ca 0.19 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.24 3m8a h GLY 45 CO -0.01 0.26 0.37 3.21 0.00 0.00 0.00 176.54 180.38 3m8a h ARG 46 N 0.22 0.74 -0.78 4.80 3.08 -1.03 -1.53 114.38 119.87 3m8a h ARG 46 Ca 0.08 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3m8a h ARG 46 Cb 0.31 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3m8a h ARG 46 CO 0.00 0.49 0.33 0.78 -1.07 0.00 0.00 179.97 180.50 3m8a h GLY 47 N 0.76 1.23 0.89 0.04 0.00 -1.06 -1.38 103.07 103.54 3m8a h GLY 47 Ca 0.21 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 3m8a h GLY 47 CO -0.05 0.61 0.05 -0.57 0.00 0.00 0.00 176.54 176.59 3m8a h ASN 48 N 1.12 0.46 -0.47 0.19 -0.73 -1.11 0.11 115.58 115.15 3m8a h ASN 48 Ca 0.26 -0.25 -0.00 0.00 1.87 0.00 0.00 56.30 58.18 3m8a h ASN 48 Cb 0.18 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.63 3m8a h ASN 48 CO -0.02 0.60 0.29 0.74 -0.37 0.00 0.00 177.43 178.66 3m8a h THR 49 N 0.31 1.14 0.00 -3.57 2.02 -1.06 -2.93 112.91 108.81 3m8a h THR 49 Ca 0.09 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3m8a h THR 49 Cb 0.33 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3m8a h THR 49 CO 0.00 0.14 -0.20 -0.07 0.37 0.00 0.00 175.52 175.77 3m8a h LEU 50 N 0.63 0.00 -0.88 2.58 3.38 -1.23 -3.48 115.31 116.31 3m8a h LEU 50 Ca 0.17 -0.06 -0.24 0.00 0.09 0.00 0.00 57.88 57.85 3m8a h LEU 50 Cb -0.03 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.80 3m8a h LEU 50 CO -0.03 0.03 -0.40 0.61 0.09 0.00 0.00 178.44 178.73 3m8a n GLY 51 N 1.29 0.07 3.13 0.83 0.00 0.17 -5.04 105.19 105.64 3m8a n GLY 51 Ca 0.05 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 3m8a n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m8a s LEU 52 N -4.71 1.90 0.24 0.99 1.43 -0.03 -5.03 118.68 113.46 3m8a s LEU 52 Ca 0.34 -0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 52.82 3m8a s LEU 52 Cb -0.15 -0.97 -0.09 0.00 0.03 0.00 0.00 46.19 45.01 3m8a s LEU 52 CO 0.43 0.14 0.87 1.51 0.23 0.00 0.00 176.35 179.53 3m8a s ASP 53 N 0.10 7.44 0.15 2.29 1.47 -1.26 -4.45 116.67 122.40 3m8a s ASP 53 Ca -0.05 1.78 -0.17 0.00 1.18 0.00 0.00 52.55 55.28 3m8a s ASP 53 Cb -0.12 -2.55 0.02 0.00 -0.34 0.00 0.00 42.92 39.93 3m8a s ASP 53 CO 0.03 0.11 1.76 0.40 0.68 0.00 0.00 175.17 178.15 3m8a h ILE 54 N 3.03 0.96 -0.42 2.11 2.04 -1.94 -2.34 117.51 120.96 3m8a h ILE 54 Ca -0.46 -0.10 0.09 0.00 1.00 0.00 0.00 64.86 65.38 3m8a h ILE 54 Cb 1.20 0.63 -0.09 0.00 -0.74 0.00 0.00 36.82 37.82 3m8a h ILE 54 CO 0.66 0.05 -0.21 -0.08 0.00 0.00 0.00 178.15 178.58 3m8a h GLU 55 N 0.30 -0.13 -0.30 2.37 4.81 -1.99 0.22 114.58 119.87 3m8a h GLU 55 Ca 0.14 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.23 3m8a h GLU 55 Cb 0.07 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 3m8a h GLU 55 CO -0.11 -0.09 -0.40 1.79 -0.73 0.00 0.00 179.01 179.47 3m8a h THR 56 N -0.13 1.29 -0.91 0.32 1.35 -1.97 -2.91 112.91 109.94 3m8a h THR 56 Ca 0.20 -1.58 0.03 0.00 -0.55 0.00 0.00 66.41 64.51 3m8a h THR 56 Cb 0.45 1.60 -0.05 0.00 -1.73 0.00 0.00 68.15 68.41 3m8a h THR 56 CO -0.50 0.51 0.59 0.00 -0.25 0.00 0.00 175.52 175.88 3m8a h ALA 57 N 0.70 1.20 -0.57 6.62 0.00 -0.95 -0.95 119.26 125.31 3m8a h ALA 57 Ca 0.03 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3m8a h ALA 57 Cb 0.99 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3m8a h ALA 57 CO 0.09 0.47 0.36 1.15 0.00 0.00 0.00 179.25 181.32 3m8a h THR 58 N 1.16 1.10 -0.34 0.00 2.02 -0.57 0.24 112.91 116.52 3m8a h THR 58 Ca 0.36 -0.25 -0.12 0.00 0.77 0.00 0.00 66.41 67.18 3m8a h THR 58 Cb -0.01 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3m8a h THR 58 CO -0.11 0.13 -0.27 -0.07 0.37 0.00 0.00 175.52 175.57 3m8a h LEU 59 N 0.72 0.70 -0.29 2.58 3.38 -1.19 -1.21 115.31 120.00 3m8a h LEU 59 Ca 0.22 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 3m8a h LEU 59 Cb -0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3m8a h LEU 59 CO -0.07 0.94 -0.34 0.58 0.09 0.00 0.00 178.44 179.64 3m8a h VAL 60 N 0.59 1.30 -0.83 1.22 2.07 -0.80 -2.96 116.25 116.84 3m8a h VAL 60 Ca 0.08 -1.51 0.09 0.00 0.82 0.00 0.00 66.70 66.17 3m8a h VAL 60 Cb 0.76 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 32.04 3m8a h VAL 60 CO 0.06 0.49 0.48 1.23 0.02 0.00 0.00 177.57 179.85 3m8a h GLY 61 N 0.50 1.28 0.46 2.17 0.00 -0.37 -0.61 103.07 106.50 3m8a h GLY 61 Ca 0.04 -0.33 0.07 0.00 0.00 0.00 0.00 47.33 47.11 3m8a h GLY 61 CO 0.08 0.16 0.14 1.70 0.00 0.00 0.00 176.54 178.63 3m8a h LYS 62 N 0.83 0.29 -0.27 4.80 3.64 -1.15 0.22 116.57 124.93 3m8a h LYS 62 Ca 0.39 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.62 3m8a h LYS 62 Cb 0.31 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3m8a h LYS 62 CO -0.23 0.19 -0.38 1.96 -2.27 0.00 0.00 179.45 178.73 3m8a h GLN 63 N 0.30 0.62 -0.10 1.90 4.20 -1.19 0.16 115.11 121.00 3m8a h GLN 63 Ca 0.24 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3m8a h GLN 63 Cb 0.29 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 3m8a h GLN 63 CO -0.28 0.90 0.01 0.82 -0.67 0.00 0.00 178.83 179.61 3m8a h ILE 64 N 0.51 1.24 -0.36 2.54 2.04 -0.50 -1.90 117.51 121.08 3m8a h ILE 64 Ca 0.05 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 3m8a h ILE 64 Cb 0.89 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3m8a h ILE 64 CO 0.08 0.21 0.15 0.58 0.00 0.00 0.00 178.15 179.17 3m8a h VAL 65 N -0.09 1.19 -0.91 1.67 2.07 -0.46 -1.90 116.25 117.83 3m8a h VAL 65 Ca 0.03 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 67.04 3m8a h VAL 65 Cb 0.33 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 3m8a h VAL 65 CO 0.00 0.20 0.57 -0.33 0.02 0.00 0.00 177.57 178.04 3m8a h GLU 66 N 0.43 1.02 -0.77 1.57 5.08 -0.68 0.13 114.58 121.37 3m8a h GLU 66 Ca 0.12 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3m8a h GLU 66 Cb 0.18 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3m8a h GLU 66 CO -0.01 0.68 0.33 2.35 -1.00 0.00 0.00 179.01 181.36 3m8a h TRP 67 N 1.05 1.16 0.18 4.33 7.01 -1.05 0.03 115.95 128.66 3m8a h TRP 67 Ca 0.39 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.30 3m8a h TRP 67 Cb 0.14 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 26.86 3m8a h TRP 67 CO -0.02 0.87 -0.09 0.82 -2.79 0.00 0.00 178.44 177.23 3m8a h ILE 68 N 1.11 0.92 -0.79 2.65 2.04 -0.45 -1.51 117.51 121.48 3m8a h ILE 68 Ca 0.26 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.57 3m8a h ILE 68 Cb 0.19 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3m8a h ILE 68 CO -0.02 0.13 0.51 -0.07 0.00 0.00 0.00 178.15 178.70 3m8a h LEU 69 N -0.54 0.86 -0.72 1.44 3.38 -0.66 -2.55 115.31 116.53 3m8a h LEU 69 Ca -0.03 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3m8a h LEU 69 Cb 0.40 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3m8a h LEU 69 CO 0.04 0.60 0.12 0.50 0.09 0.00 0.00 178.44 179.79 3m8a h LYS 70 N 1.01 1.10 -0.28 1.13 3.64 -1.00 -2.88 116.57 119.29 3m8a h LYS 70 Ca 0.31 -0.29 0.08 0.00 -1.27 0.00 0.00 60.65 59.48 3m8a h LYS 70 Cb -0.04 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3m8a h LYS 70 CO -0.09 1.00 0.29 1.49 -2.27 0.00 0.00 179.45 179.87 3m8a h GLU 71 N 1.03 0.00 0.00 1.90 4.57 -0.83 -3.51 114.58 117.74 3m8a h GLU 71 Ca 0.21 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 3m8a h GLU 71 Cb 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3m8a h GLU 71 CO 0.01 0.00 0.00 -0.85 -1.18 0.00 0.00 179.01 176.99