#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 2.63 -0.03 0.00 -2.45 -1.26 -5.05 119.30 113.14 3m8a s MET 1 Ca 0.00 -0.81 0.00 0.00 -1.25 0.00 0.00 55.69 53.63 3m8a s MET 1 Cb 0.00 -2.29 0.03 0.00 1.25 0.00 0.00 34.83 33.82 3m8a s MET 1 CO 0.00 0.44 0.01 0.34 1.05 0.00 0.00 175.02 176.87 3m8a s ASP 2 N -0.29 0.28 0.21 1.11 2.15 -1.26 -5.06 116.67 113.81 3m8a s ASP 2 Ca 0.01 -0.00 -0.10 0.00 0.43 0.00 0.00 52.55 52.89 3m8a s ASP 2 Cb -0.13 -0.16 0.16 0.00 -0.30 0.00 0.00 42.92 42.49 3m8a s ASP 2 CO 0.03 -0.11 1.88 0.28 -0.17 0.00 0.00 175.17 177.08 3m8a h SER 3 N 7.25 0.86 -0.42 -0.34 0.02 -2.00 -1.59 113.55 117.33 3m8a h SER 3 Ca -0.44 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.39 3m8a h SER 3 Cb 1.13 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 3m8a h SER 3 CO 0.48 0.62 -0.09 0.78 -1.14 0.00 0.00 176.83 177.48 3m8a h ASN 4 N 1.01 0.86 -0.74 3.07 4.21 -1.98 -0.71 115.58 121.29 3m8a h ASN 4 Ca 0.28 -0.26 0.01 0.00 1.21 0.00 0.00 56.30 57.54 3m8a h ASN 4 Cb -0.10 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 36.83 3m8a h ASN 4 CO -0.07 0.97 0.49 0.74 -1.29 0.00 0.00 177.43 178.27 3m8a h THR 5 N 0.79 1.19 0.08 2.81 2.02 -1.85 0.18 112.91 118.14 3m8a h THR 5 Ca 0.13 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 3m8a h THR 5 Cb 0.59 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3m8a h THR 5 CO 0.04 0.19 -0.04 0.24 0.37 0.00 0.00 175.52 176.32 3m8a h MET 6 N 1.01 -0.10 -0.79 6.66 2.86 -1.10 -1.48 114.93 121.99 3m8a h MET 6 Ca 0.27 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3m8a h MET 6 Cb -0.11 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 3m8a h MET 6 CO -0.06 0.25 0.50 0.66 1.06 0.00 0.00 176.91 179.33 3m8a h SER 7 N -0.47 0.92 -0.34 1.22 4.64 -0.91 -1.16 113.55 117.44 3m8a h SER 7 Ca -0.01 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 3m8a h SER 7 Cb 0.40 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 3m8a h SER 7 CO 0.02 0.69 -0.09 0.28 -0.87 0.00 0.00 176.83 176.85 3m8a h SER 8 N 1.08 0.76 -0.36 4.97 0.02 -0.58 -1.73 113.55 117.70 3m8a h SER 8 Ca 0.29 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 3m8a h SER 8 Cb -0.09 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 3m8a h SER 8 CO -0.06 0.88 -0.03 0.15 -1.14 0.00 0.00 176.83 176.63 3m8a h PHE 9 N 0.70 0.72 -0.31 3.45 3.57 -0.64 -1.58 116.94 122.86 3m8a h PHE 9 Ca 0.12 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3m8a h PHE 9 Cb 0.56 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3m8a h PHE 9 CO 0.03 0.78 0.13 1.96 -2.23 0.00 0.00 178.31 178.97 3m8a h GLN 10 N 0.46 0.46 -0.42 1.11 4.20 -1.06 -0.17 115.11 119.69 3m8a h GLN 10 Ca 0.10 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 3m8a h GLN 10 Cb 0.51 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3m8a h GLN 10 CO 0.02 0.47 0.05 0.28 -0.67 0.00 0.00 178.83 178.99 3m8a h VAL 11 N 0.35 1.25 -0.61 -0.54 2.07 -1.30 -1.53 116.25 115.94 3m8a h VAL 11 Ca 0.10 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3m8a h VAL 11 Cb 0.17 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3m8a h VAL 11 CO -0.01 0.31 0.36 0.44 0.02 0.00 0.00 177.57 178.70 3m8a h ASP 12 N 0.55 0.73 -0.34 0.57 3.32 -1.14 0.61 116.42 120.73 3m8a h ASP 12 Ca 0.13 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3m8a h ASP 12 Cb 0.40 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3m8a h ASP 12 CO 0.01 0.57 0.05 0.00 -1.72 0.00 0.00 179.24 178.16 3m8a h PHE 14 N 0.39 0.75 -0.02 0.00 3.57 -0.74 -2.23 116.94 118.67 3m8a h PHE 14 Ca 0.10 -0.19 -0.11 0.00 3.53 0.00 0.00 57.97 61.30 3m8a h PHE 14 Cb 0.36 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3m8a h PHE 14 CO 0.02 0.88 -0.51 -0.07 -2.23 0.00 0.00 178.31 176.40 3m8a h LEU 15 N 0.56 0.05 -0.52 0.59 3.38 -0.78 -1.92 115.31 116.67 3m8a h LEU 15 Ca 0.07 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3m8a h LEU 15 Cb 0.80 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3m8a h LEU 15 CO 0.07 0.56 -0.18 -0.25 0.09 0.00 0.00 178.44 178.72 3m8a h TRP 16 N 0.04 1.15 -0.86 1.13 7.01 -0.95 -2.05 115.95 121.41 3m8a h TRP 16 Ca -0.00 -0.27 0.05 0.00 2.11 0.00 0.00 58.89 60.78 3m8a h TRP 16 Cb 0.92 -0.27 -0.06 0.00 -2.10 0.00 0.00 29.16 27.65 3m8a h TRP 16 CO 0.00 1.10 0.55 1.25 -2.79 0.00 0.00 178.44 178.55 3m8a h HIS 17 N 0.88 1.02 0.01 2.65 2.76 -0.96 0.16 115.15 121.67 3m8a h HIS 17 Ca 0.12 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3m8a h HIS 17 Cb 0.76 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.39 3m8a h HIS 17 CO 0.05 0.55 -0.00 0.82 -1.30 0.00 0.00 177.93 178.05 3m8a h ILE 18 N 1.03 1.10 -0.98 6.26 2.04 -1.08 -1.40 117.51 124.47 3m8a h ILE 18 Ca 0.36 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.93 3m8a h ILE 18 Cb 0.09 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 3m8a h ILE 18 CO -0.15 0.08 0.65 0.03 0.00 0.00 0.00 178.15 178.76 3m8a h ARG 19 N -0.15 1.23 -0.37 2.37 3.08 -0.88 -1.31 114.38 118.33 3m8a h ARG 19 Ca -0.00 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 3m8a h ARG 19 Cb 0.14 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3m8a h ARG 19 CO 0.00 0.81 0.05 -0.22 -1.07 0.00 0.00 179.97 179.54 3m8a h LYS 20 N 1.26 0.63 -0.79 0.04 1.63 -0.47 -0.45 116.57 118.42 3m8a h LYS 20 Ca 0.38 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 60.01 3m8a h LYS 20 Cb -0.04 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.49 3m8a h LYS 20 CO -0.11 0.70 0.49 0.00 -3.45 0.00 0.00 179.45 177.08 3m8a h ARG 21 N 0.47 1.06 -0.14 1.90 2.47 -0.92 0.23 114.38 119.45 3m8a h ARG 21 Ca 0.11 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 3m8a h ARG 21 Cb 0.38 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 3m8a h ARG 21 CO 0.01 0.73 0.04 0.35 0.56 0.00 0.00 179.97 181.66 3m8a h PHE 22 N 1.08 0.22 -0.72 3.04 3.57 -1.01 -2.52 116.94 120.60 3m8a h PHE 22 Ca 0.29 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.79 3m8a h PHE 22 Cb -0.07 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 3m8a h PHE 22 CO 0.00 0.34 0.45 0.00 -2.23 0.00 0.00 178.31 176.87 3m8a h ALA 23 N 0.86 0.94 -0.97 2.41 0.00 -0.57 -2.41 119.26 119.51 3m8a h ALA 23 Ca 0.04 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.01 3m8a h ALA 23 Cb 0.22 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3m8a h ALA 23 CO -0.00 0.23 0.61 -0.44 0.00 0.00 0.00 179.25 179.65 3m8a h ASP 24 N 0.88 0.94 0.01 0.00 3.32 -0.38 -0.46 116.42 120.74 3m8a h ASP 24 Ca 0.29 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3m8a h ASP 24 Cb 0.02 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3m8a h ASP 24 CO -0.11 0.57 0.00 0.59 -1.72 0.00 0.00 179.24 178.57 3m8a n ASN 25 N -4.58 0.00 -0.62 6.45 3.02 -0.91 -4.85 115.26 113.77 3m8a n ASN 25 Ca 0.16 -0.51 -0.06 0.00 -0.03 0.00 0.00 54.58 54.14 3m8a n ASN 25 Cb 0.25 -0.01 -0.00 0.00 -0.61 0.00 0.00 39.78 39.40 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 0.07 0.19 0.00 7.41 0.00 -0.18 -4.97 105.19 107.72 3m8a n GLY 26 Ca 0.13 -0.67 0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.78 0.88 -4.83 0.99 4.77 -1.19 -4.99 117.00 111.86 3m8a n LEU 27 Ca -0.06 -0.50 -0.33 0.00 -0.03 0.00 0.00 56.01 55.08 3m8a n LEU 27 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 3m8a n LEU 27 CO 0.08 0.22 0.62 -0.83 -1.33 0.00 0.00 177.39 176.15 3m8a s GLY 28 N -2.74 2.35 0.73 -0.72 0.00 -1.26 -4.98 107.32 100.70 3m8a s GLY 28 Ca 0.07 0.33 -0.00 0.00 0.00 0.00 0.00 44.72 45.11 3m8a s GLY 28 CO 0.76 0.60 1.01 0.51 0.00 0.00 0.00 173.10 175.97 3m8a s ASP 29 N -2.28 4.28 0.13 1.64 -4.77 -1.26 -4.87 116.67 109.54 3m8a s ASP 29 Ca 0.61 -0.44 -0.18 0.00 -3.30 0.00 0.00 52.55 49.24 3m8a s ASP 29 Cb -0.09 0.11 -0.03 0.00 -1.09 0.00 0.00 42.92 41.82 3m8a s ASP 29 CO 0.15 -1.92 1.72 0.00 0.70 0.00 0.00 175.17 175.82 3m8a h ALA 30 N -0.56 0.41 -0.34 2.11 0.00 -1.99 -1.82 119.26 117.08 3m8a h ALA 30 Ca -0.35 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3m8a h ALA 30 Cb 1.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3m8a h ALA 30 CO 0.39 -0.05 0.11 -1.35 0.00 0.00 0.00 179.25 178.35 3m8a h PRO 31 N 0.39 0.48 -0.24 0.00 0.11 -1.99 -1.05 132.00 129.70 3m8a h PRO 31 Ca 0.11 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.13 3m8a h PRO 31 Cb 0.08 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3m8a h PRO 31 CO -0.02 0.42 0.04 0.35 -0.21 0.00 0.00 178.00 178.58 3m8a h PHE 32 N 0.48 0.42 -0.11 0.65 3.57 -1.87 -0.54 116.94 119.53 3m8a h PHE 32 Ca 0.12 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 3m8a h PHE 32 Cb 0.14 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3m8a h PHE 32 CO 0.00 0.52 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.17 3m8a h LEU 33 N 0.20 0.24 -0.18 0.59 3.38 -1.05 -1.51 115.31 116.97 3m8a h LEU 33 Ca 0.07 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3m8a h LEU 33 Cb 0.33 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3m8a h LEU 33 CO 0.01 0.60 -0.10 -0.78 0.09 0.00 0.00 178.44 178.25 3m8a h ASP 34 N 0.20 0.41 -0.76 -0.43 3.58 -1.00 -1.86 116.42 116.56 3m8a h ASP 34 Ca 0.02 -0.42 -0.03 0.00 0.42 0.00 0.00 57.03 57.02 3m8a h ASP 34 Cb 0.75 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.65 3m8a h ASP 34 CO 0.06 0.74 0.38 0.03 -2.88 0.00 0.00 179.24 177.57 3m8a h ARG 35 N 0.08 1.10 -0.69 0.28 3.08 -0.98 -1.42 114.38 115.82 3m8a h ARG 35 Ca 0.04 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3m8a h ARG 35 Cb 0.59 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3m8a h ARG 35 CO 0.03 0.84 0.44 1.25 -1.07 0.00 0.00 179.97 181.46 3m8a h LEU 36 N 1.09 0.82 0.02 3.04 5.85 -1.16 0.11 115.31 125.07 3m8a h LEU 36 Ca 0.27 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3m8a h LEU 36 Cb 0.10 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3m8a h LEU 36 CO -0.04 0.62 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.58 3m8a h ARG 37 N 0.94 -0.02 -0.65 1.25 2.43 -0.93 -2.36 114.38 115.03 3m8a h ARG 37 Ca 0.25 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.43 3m8a h ARG 37 Cb -0.06 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3m8a h ARG 37 CO -0.05 0.28 0.43 0.00 -1.51 0.00 0.00 179.97 179.12 3m8a h ARG 38 N -0.32 0.85 -0.32 0.20 3.08 -1.13 -3.03 114.38 113.71 3m8a h ARG 38 Ca -0.00 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 3m8a h ARG 38 Cb 0.31 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3m8a h ARG 38 CO 0.00 0.56 -0.21 -0.44 -1.07 0.00 0.00 179.97 178.82 3m8a h ASP 39 N 0.87 0.60 -0.60 7.04 3.32 -0.79 -1.90 116.42 124.96 3m8a h ASP 39 Ca 0.24 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3m8a h ASP 39 Cb -0.09 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 3m8a h ASP 39 CO -0.06 0.81 0.36 -0.61 -1.72 0.00 0.00 179.24 178.02 3m8a h GLN 40 N 0.53 0.82 -0.31 3.56 4.15 -1.31 0.67 115.11 123.23 3m8a h GLN 40 Ca 0.08 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3m8a h GLN 40 Cb 0.65 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 3m8a h GLN 40 CO 0.05 0.60 0.12 -0.22 -1.93 0.00 0.00 178.83 177.44 3m8a h LYS 41 N 0.81 0.48 -0.73 1.69 3.64 -1.43 -1.45 116.57 119.57 3m8a h LYS 41 Ca 0.22 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3m8a h LYS 41 Cb -0.01 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 3m8a h LYS 41 CO -0.04 0.50 0.32 0.77 -2.27 0.00 0.00 179.45 178.72 3m8a h SER 42 N 0.35 0.97 -0.23 4.20 0.02 -1.01 -2.05 113.55 115.79 3m8a h SER 42 Ca 0.10 -0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 3m8a h SER 42 Cb 0.21 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3m8a h SER 42 CO -0.01 0.84 -0.32 -0.07 -1.14 0.00 0.00 176.83 176.14 3m8a h LEU 43 N 1.05 0.77 -0.29 5.07 3.38 -0.70 -0.09 115.31 124.50 3m8a h LEU 43 Ca 0.25 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3m8a h LEU 43 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3m8a h LEU 43 CO -0.03 1.03 0.15 0.11 0.09 0.00 0.00 178.44 179.80 3m8a h LYS 44 N 0.63 0.40 -0.75 1.13 1.57 -0.96 -0.48 116.57 118.11 3m8a h LYS 44 Ca 0.07 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3m8a h LYS 44 Cb 0.84 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 3m8a h LYS 44 CO 0.07 0.36 0.44 0.78 -0.57 0.00 0.00 179.45 180.53 3m8a h GLY 45 N 0.34 1.10 1.05 3.86 0.00 -1.26 -1.75 103.07 106.40 3m8a h GLY 45 Ca 0.10 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 3m8a h GLY 45 CO -0.02 0.46 0.07 3.21 0.00 0.00 0.00 176.54 180.27 3m8a h ARG 46 N 1.03 1.02 -0.31 4.80 3.08 -0.83 -1.25 114.38 121.93 3m8a h ARG 46 Ca 0.27 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3m8a h ARG 46 Cb -0.01 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3m8a h ARG 46 CO -0.05 0.97 -0.10 0.78 -1.07 0.00 0.00 179.97 180.51 3m8a h GLY 47 N 0.92 0.56 0.68 0.04 0.00 -0.86 -1.21 103.07 103.20 3m8a h GLY 47 Ca 0.18 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 3m8a h GLY 47 CO 0.02 0.35 -0.13 -0.57 0.00 0.00 0.00 176.54 176.21 3m8a h ASN 48 N 0.48 0.30 -0.94 0.19 -0.73 -1.07 0.19 115.58 114.00 3m8a h ASN 48 Ca 0.09 -0.50 0.04 0.00 1.87 0.00 0.00 56.30 57.80 3m8a h ASN 48 Cb 0.46 -0.08 -0.06 0.00 0.27 0.00 0.00 38.32 38.91 3m8a h ASN 48 CO 0.03 0.74 0.61 0.74 -0.37 0.00 0.00 177.43 179.18 3m8a h THR 49 N -0.14 1.14 0.00 -3.57 2.02 -1.11 -2.93 112.91 108.32 3m8a h THR 49 Ca 0.01 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3m8a h THR 49 Cb 0.66 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3m8a h THR 49 CO 0.03 0.21 -0.47 -0.07 0.37 0.00 0.00 175.52 175.60 3m8a h LEU 50 N 1.17 0.00 -0.09 2.58 3.38 -1.19 -3.48 115.31 117.68 3m8a h LEU 50 Ca 0.38 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.22 3m8a h LEU 50 Cb 0.04 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.81 3m8a h LEU 50 CO -0.13 0.01 -0.16 0.61 0.09 0.00 0.00 178.44 178.86 3m8a n GLY 51 N 1.18 0.35 3.18 0.83 0.00 0.07 -5.06 105.19 105.75 3m8a n GLY 51 Ca 0.02 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.12 1.98 0.20 0.99 1.43 0.44 -5.03 118.68 116.57 3m8a s LEU 52 Ca 0.08 -0.39 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 3m8a s LEU 52 Cb -0.03 -1.07 -0.08 0.00 0.03 0.00 0.00 46.19 45.03 3m8a s LEU 52 CO 0.10 0.20 0.78 1.51 0.23 0.00 0.00 176.35 179.16 3m8a s ASP 53 N -0.14 7.27 0.19 2.29 -4.77 -1.26 -4.49 116.67 115.76 3m8a s ASP 53 Ca -0.01 1.59 -0.13 0.00 -3.30 0.00 0.00 52.55 50.71 3m8a s ASP 53 Cb -0.11 -2.48 0.11 0.00 -1.09 0.00 0.00 42.92 39.35 3m8a s ASP 53 CO 0.02 0.11 1.84 0.40 0.70 0.00 0.00 175.17 178.24 3m8a h ILE 54 N 3.03 1.11 -0.09 2.11 2.04 -1.95 -2.38 117.51 121.39 3m8a h ILE 54 Ca -0.47 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.17 3m8a h ILE 54 Cb 1.20 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3m8a h ILE 54 CO 0.66 0.14 -0.22 -0.08 0.00 0.00 0.00 178.15 178.64 3m8a h GLU 55 N 0.74 -0.29 -0.44 2.37 4.81 -2.00 0.65 114.58 120.43 3m8a h GLU 55 Ca 0.22 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.36 3m8a h GLU 55 Cb -0.03 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3m8a h GLU 55 CO -0.07 -0.20 -0.16 1.15 -0.73 0.00 0.00 179.01 179.00 3m8a h THR 56 N -0.30 1.27 -0.86 0.32 2.02 -1.97 -2.90 112.91 110.49 3m8a h THR 56 Ca 0.09 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 3m8a h THR 56 Cb 0.43 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 3m8a h THR 56 CO -0.26 0.44 0.48 0.00 0.37 0.00 0.00 175.52 176.55 3m8a h ALA 57 N 0.85 1.24 -0.61 6.16 0.00 -1.18 -1.85 119.26 123.86 3m8a h ALA 57 Ca 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3m8a h ALA 57 Cb 0.72 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3m8a h ALA 57 CO 0.06 0.63 0.37 1.15 0.00 0.00 0.00 179.25 181.45 3m8a h THR 58 N 1.19 1.18 -0.49 0.00 2.02 -0.78 0.13 112.91 116.16 3m8a h THR 58 Ca 0.30 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 3m8a h THR 58 Cb 0.01 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3m8a h THR 58 CO -0.05 0.18 -0.06 -0.07 0.37 0.00 0.00 175.52 175.89 3m8a h LEU 59 N 0.82 0.84 -0.13 2.58 3.38 -1.23 -1.62 115.31 119.96 3m8a h LEU 59 Ca 0.22 -0.24 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 3m8a h LEU 59 Cb -0.03 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.50 3m8a h LEU 59 CO -0.04 0.94 -0.75 0.58 0.09 0.00 0.00 178.44 179.27 3m8a h VAL 60 N 0.78 1.29 -0.91 1.22 2.07 -1.11 -2.94 116.25 116.65 3m8a h VAL 60 Ca 0.14 -1.97 0.10 0.00 0.82 0.00 0.00 66.70 65.80 3m8a h VAL 60 Cb 0.56 2.06 -0.08 0.00 -1.52 0.00 0.00 31.29 32.31 3m8a h VAL 60 CO 0.03 0.62 0.55 1.23 0.02 0.00 0.00 177.57 180.02 3m8a h GLY 61 N 0.45 1.45 0.94 2.17 0.00 -0.61 0.40 103.07 107.88 3m8a h GLY 61 Ca -0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 3m8a h GLY 61 CO 0.15 0.16 0.16 1.70 0.00 0.00 0.00 176.54 178.71 3m8a h LYS 62 N 0.90 0.46 -0.40 4.80 3.64 -1.28 -1.80 116.57 122.90 3m8a h LYS 62 Ca 0.44 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.67 3m8a h LYS 62 Cb 0.41 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3m8a h LYS 62 CO -0.25 0.42 -0.13 1.96 -2.27 0.00 0.00 179.45 179.18 3m8a h GLN 63 N 0.38 0.71 0.09 1.90 4.20 -1.16 -0.20 115.11 121.04 3m8a h GLN 63 Ca 0.11 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 3m8a h GLN 63 Cb 0.11 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3m8a h GLN 63 CO -0.01 0.81 -0.04 0.82 -0.67 0.00 0.00 178.83 179.74 3m8a h ILE 64 N 0.64 1.04 -0.26 2.54 2.04 -0.73 -1.06 117.51 121.72 3m8a h ILE 64 Ca 0.11 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.51 3m8a h ILE 64 Cb 0.59 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 3m8a h ILE 64 CO 0.04 0.12 0.15 0.58 0.00 0.00 0.00 178.15 179.03 3m8a h VAL 65 N -0.33 1.02 -0.82 1.67 2.07 -1.28 -0.89 116.25 117.69 3m8a h VAL 65 Ca -0.01 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.47 3m8a h VAL 65 Cb 0.28 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3m8a h VAL 65 CO 0.02 0.06 0.50 -0.33 0.02 0.00 0.00 177.57 177.83 3m8a h GLU 66 N 0.30 0.87 -0.28 1.57 5.08 -1.00 -1.61 114.58 119.51 3m8a h GLU 66 Ca 0.10 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3m8a h GLU 66 Cb 0.00 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3m8a h GLU 66 CO -0.05 0.58 0.06 2.35 -1.00 0.00 0.00 179.01 180.95 3m8a h TRP 67 N 0.90 0.48 0.21 4.33 2.91 -0.67 -1.99 115.95 122.12 3m8a h TRP 67 Ca 0.36 -0.06 0.01 0.00 1.13 0.00 0.00 58.89 60.33 3m8a h TRP 67 Cb 0.20 -0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 28.69 3m8a h TRP 67 CO -0.04 0.53 -0.23 0.82 -1.03 0.00 0.00 178.44 178.49 3m8a h ILE 68 N 0.28 0.49 -0.19 2.65 2.04 -0.76 0.43 117.51 122.46 3m8a h ILE 68 Ca 0.09 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 3m8a h ILE 68 Cb 0.30 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3m8a h ILE 68 CO 0.00 0.00 -0.09 -0.07 0.00 0.00 0.00 178.15 177.99 3m8a h LEU 69 N -0.49 0.27 0.14 1.44 3.38 -1.32 -2.08 115.31 116.65 3m8a h LEU 69 Ca 0.00 -0.05 -0.36 0.00 0.09 0.00 0.00 57.88 57.56 3m8a h LEU 69 Cb 0.47 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3m8a h LEU 69 CO -0.07 0.40 -1.90 0.50 0.09 0.00 0.00 178.44 177.46 3m8a h LYS 70 N 0.28 0.30 0.00 1.13 3.64 -1.21 -3.44 116.57 117.26 3m8a h LYS 70 Ca 0.06 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3m8a h LYS 70 Cb 0.34 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3m8a h LYS 70 CO 0.02 1.24 -0.61 0.39 -2.27 0.00 0.00 179.45 178.22 3m8a n GLU 71 N -3.55 2.22 -0.11 1.90 1.02 0.14 -5.08 120.64 117.18 3m8a n GLU 71 Ca -0.30 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.84 3m8a n GLU 71 Cb 1.04 -0.81 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 3m8a n GLU 71 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46