#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m8a h ASP 2 N 0.00 0.80 -0.45 6.12 1.82 -2.06 -0.80 116.42 121.85 3m8a h ASP 2 Ca 0.00 -0.43 -0.04 0.00 -0.39 0.00 0.00 57.03 56.18 3m8a h ASP 2 Cb 0.00 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 39.77 3m8a h ASP 2 CO 0.00 1.05 0.14 -1.28 -1.61 0.00 0.00 179.24 177.54 3m8a h SER 3 N 0.55 0.66 -0.57 2.28 0.87 -2.05 -2.95 113.55 112.34 3m8a h SER 3 Ca 0.07 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3m8a h SER 3 Cb 0.77 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 3m8a h SER 3 CO 0.06 0.69 0.35 0.78 -0.53 0.00 0.00 176.83 178.18 3m8a h ASN 4 N 0.59 0.68 -0.66 6.23 4.21 -1.96 -0.34 115.58 124.33 3m8a h ASN 4 Ca 0.14 -0.03 -0.07 0.00 1.21 0.00 0.00 56.30 57.56 3m8a h ASN 4 Cb 0.27 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.27 3m8a h ASN 4 CO -0.00 0.52 0.14 0.74 -1.29 0.00 0.00 177.43 177.54 3m8a h THR 5 N 0.79 1.26 -0.18 2.81 2.02 -1.03 0.83 112.91 119.41 3m8a h THR 5 Ca 0.21 -0.97 -0.05 0.00 0.77 0.00 0.00 66.41 66.37 3m8a h THR 5 Cb -0.04 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3m8a h THR 5 CO -0.04 0.37 -0.09 0.24 0.37 0.00 0.00 175.52 176.37 3m8a h MET 6 N 0.98 0.38 -0.81 6.66 2.86 -1.22 -1.90 114.93 121.88 3m8a h MET 6 Ca 0.20 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3m8a h MET 6 Cb 0.39 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 3m8a h MET 6 CO 0.01 0.68 0.38 0.77 1.06 0.00 0.00 176.91 179.81 3m8a h SER 7 N 0.06 1.07 -0.59 1.22 0.02 -1.00 -1.08 113.55 113.25 3m8a h SER 7 Ca 0.04 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.76 3m8a h SER 7 Cb 0.57 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3m8a h SER 7 CO 0.03 0.91 0.02 0.28 -1.14 0.00 0.00 176.83 176.93 3m8a h SER 8 N 1.16 1.01 -0.43 3.07 0.02 -0.79 -1.37 113.55 116.22 3m8a h SER 8 Ca 0.28 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 3m8a h SER 8 Cb 0.13 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3m8a h SER 8 CO -0.03 1.05 0.09 0.15 -1.14 0.00 0.00 176.83 176.95 3m8a h PHE 9 N 0.96 0.74 -0.46 3.45 3.57 -0.86 -1.93 116.94 122.40 3m8a h PHE 9 Ca 0.18 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3m8a h PHE 9 Cb 0.52 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3m8a h PHE 9 CO 0.04 0.70 0.21 1.96 -2.23 0.00 0.00 178.31 178.99 3m8a h GLN 10 N 0.57 0.68 -0.54 1.11 4.20 -1.02 -1.06 115.11 119.05 3m8a h GLN 10 Ca 0.13 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 3m8a h GLN 10 Cb 0.35 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3m8a h GLN 10 CO 0.00 0.59 -0.06 -0.39 -0.67 0.00 0.00 178.83 178.30 3m8a h VAL 11 N 0.60 1.26 -0.55 -0.54 -1.51 -1.23 -2.06 116.25 112.23 3m8a h VAL 11 Ca 0.16 -1.19 -0.06 0.00 -1.23 0.00 0.00 66.70 64.38 3m8a h VAL 11 Cb 0.15 0.91 -0.02 0.00 -2.13 0.00 0.00 31.29 30.19 3m8a h VAL 11 CO -0.02 0.42 0.10 0.44 -1.23 0.00 0.00 177.57 177.29 3m8a h ASP 12 N 0.89 0.82 0.01 4.19 3.32 -1.15 -0.45 116.42 124.04 3m8a h ASP 12 Ca 0.15 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3m8a h ASP 12 Cb 0.60 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3m8a h ASP 12 CO 0.04 0.82 -0.00 0.00 -1.72 0.00 0.00 179.24 178.38 3m8a h PHE 14 N -0.13 0.62 -0.92 0.00 3.57 -1.19 -1.06 116.94 117.84 3m8a h PHE 14 Ca -0.00 -0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.44 3m8a h PHE 14 Cb 0.13 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 3m8a h PHE 14 CO -0.04 0.67 0.60 -0.07 -2.23 0.00 0.00 178.31 177.24 3m8a h LEU 15 N 0.40 0.99 -0.50 0.59 3.38 -1.07 -1.71 115.31 117.39 3m8a h LEU 15 Ca 0.10 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3m8a h LEU 15 Cb 0.40 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3m8a h LEU 15 CO 0.01 0.67 0.28 -0.25 0.09 0.00 0.00 178.44 179.25 3m8a h TRP 16 N 1.14 0.53 -0.57 1.13 7.01 -0.49 -2.05 115.95 122.65 3m8a h TRP 16 Ca 0.37 0.02 0.11 0.00 2.11 0.00 0.00 58.89 61.50 3m8a h TRP 16 Cb 0.03 -0.17 -0.10 0.00 -2.10 0.00 0.00 29.16 26.82 3m8a h TRP 16 CO -0.00 0.29 -0.10 1.25 -2.79 0.00 0.00 178.44 177.09 3m8a h HIS 17 N 0.56 -0.22 -0.12 2.65 2.76 -0.65 0.14 115.15 120.27 3m8a h HIS 17 Ca 0.21 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 3m8a h HIS 17 Cb 0.05 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 3m8a h HIS 17 CO -0.08 -0.22 0.07 0.82 -1.30 0.00 0.00 177.93 177.23 3m8a h ILE 18 N 0.03 1.07 -0.76 6.26 2.04 -1.10 -1.59 117.51 123.46 3m8a h ILE 18 Ca 0.28 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 66.00 3m8a h ILE 18 Cb 0.43 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 3m8a h ILE 18 CO -0.55 0.07 0.45 0.03 0.00 0.00 0.00 178.15 178.14 3m8a h ARG 19 N 0.11 0.81 -0.41 2.37 3.08 -0.69 -0.54 114.38 119.10 3m8a h ARG 19 Ca 0.04 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3m8a h ARG 19 Cb 0.05 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3m8a h ARG 19 CO -0.01 0.53 0.20 -0.22 -1.07 0.00 0.00 179.97 179.41 3m8a h LYS 20 N 0.83 0.59 -0.72 0.04 1.63 -0.53 -0.50 116.57 117.91 3m8a h LYS 20 Ca 0.33 -0.08 -0.07 0.00 -0.85 0.00 0.00 60.65 59.98 3m8a h LYS 20 Cb 0.16 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 3m8a h LYS 20 CO -0.17 0.51 0.19 0.00 -3.45 0.00 0.00 179.45 176.53 3m8a h ARG 21 N 0.53 1.14 -0.09 1.90 2.47 -0.90 0.34 114.38 119.78 3m8a h ARG 21 Ca 0.14 -0.26 -0.00 0.00 -1.26 0.00 0.00 59.98 58.60 3m8a h ARG 21 Cb 0.11 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.27 3m8a h ARG 21 CO -0.02 0.99 0.05 0.35 0.56 0.00 0.00 179.97 181.91 3m8a h PHE 22 N 1.09 0.12 -0.68 3.04 3.57 -1.00 -2.73 116.94 120.35 3m8a h PHE 22 Ca 0.23 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 3m8a h PHE 22 Cb 0.35 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 3m8a h PHE 22 CO 0.03 0.11 0.22 0.00 -2.23 0.00 0.00 178.31 176.44 3m8a h ALA 23 N 0.99 1.11 -0.67 2.41 0.00 -0.71 -2.34 119.26 120.05 3m8a h ALA 23 Ca 0.03 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.87 3m8a h ALA 23 Cb 0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3m8a h ALA 23 CO -0.01 0.62 0.45 -0.44 0.00 0.00 0.00 179.25 179.87 3m8a h ASP 24 N 1.00 0.32 0.07 0.00 3.32 -0.10 0.07 116.42 121.10 3m8a h ASP 24 Ca 0.22 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3m8a h ASP 24 Cb 0.27 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3m8a h ASP 24 CO -0.01 0.18 0.00 0.59 -1.72 0.00 0.00 179.24 178.28 3m8a n ASN 25 N -4.46 0.00 -0.72 6.45 3.02 -0.88 -4.90 115.26 113.77 3m8a n ASN 25 Ca 0.12 -0.70 -0.07 0.00 -0.03 0.00 0.00 54.58 53.91 3m8a n ASN 25 Cb 0.49 -0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.61 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 0.66 0.20 0.28 7.41 0.00 0.01 -4.96 105.19 108.79 3m8a n GLY 26 Ca 0.18 -0.63 0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.92 1.56 -4.79 0.99 4.77 -1.22 -4.97 117.00 112.41 3m8a n LEU 27 Ca -0.08 -0.62 -0.37 0.00 -0.03 0.00 0.00 56.01 54.91 3m8a n LEU 27 Cb 0.52 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 3m8a n LEU 27 CO 0.09 0.32 0.53 -0.83 -1.33 0.00 0.00 177.39 176.16 3m8a s GLY 28 N -2.70 2.75 0.65 -0.72 0.00 -1.26 -4.99 107.32 101.04 3m8a s GLY 28 Ca 0.14 0.35 -0.00 0.00 0.00 0.00 0.00 44.72 45.21 3m8a s GLY 28 CO 0.69 0.77 0.90 0.51 0.00 0.00 0.00 173.10 175.97 3m8a s ASP 29 N -1.55 4.78 0.19 1.64 -4.77 -1.26 -4.90 116.67 110.79 3m8a s ASP 29 Ca 0.45 -0.17 -0.13 0.00 -3.30 0.00 0.00 52.55 49.40 3m8a s ASP 29 Cb -0.19 -0.44 0.11 0.00 -1.09 0.00 0.00 42.92 41.32 3m8a s ASP 29 CO 0.23 -1.53 1.84 0.00 0.70 0.00 0.00 175.17 176.41 3m8a h ALA 30 N -0.27 0.75 -0.75 2.11 0.00 -1.99 -2.33 119.26 116.78 3m8a h ALA 30 Ca -0.39 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3m8a h ALA 30 Cb 1.28 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3m8a h ALA 30 CO 0.47 0.14 0.34 -1.35 0.00 0.00 0.00 179.25 178.84 3m8a h PRO 31 N 0.75 1.09 -0.81 0.00 0.11 -1.99 -1.19 132.00 129.96 3m8a h PRO 31 Ca 0.23 -0.17 0.04 0.00 0.11 0.00 0.00 66.00 66.20 3m8a h PRO 31 Cb -0.04 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 30.83 3m8a h PRO 31 CO -0.07 0.86 0.52 0.35 -0.21 0.00 0.00 178.00 179.44 3m8a h PHE 32 N 1.08 0.97 0.00 0.65 3.57 -1.89 -1.72 116.94 119.60 3m8a h PHE 32 Ca 0.26 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.65 3m8a h PHE 32 Cb 0.15 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3m8a h PHE 32 CO 0.01 0.55 -0.62 -0.07 -2.23 0.00 0.00 178.31 175.95 3m8a h LEU 33 N 1.00 0.00 -0.22 0.59 3.38 -1.02 -0.94 115.31 118.09 3m8a h LEU 33 Ca 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 3m8a h LEU 33 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3m8a h LEU 33 CO -0.12 0.62 0.00 -0.78 0.09 0.00 0.00 178.44 178.26 3m8a h ASP 34 N 0.00 0.38 -0.86 -0.43 3.58 -0.81 -1.48 116.42 116.80 3m8a h ASP 34 Ca -0.01 -0.30 -0.03 0.00 0.42 0.00 0.00 57.03 57.11 3m8a h ASP 34 Cb 1.14 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 42.04 3m8a h ASP 34 CO 0.08 0.59 0.43 0.03 -2.88 0.00 0.00 179.24 177.49 3m8a h ARG 35 N 0.16 1.23 -0.02 0.28 3.08 -1.16 0.27 114.38 118.21 3m8a h ARG 35 Ca 0.06 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.96 3m8a h ARG 35 Cb 0.40 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3m8a h ARG 35 CO 0.01 0.93 -0.05 1.25 -1.07 0.00 0.00 179.97 181.04 3m8a h LEU 36 N 1.22 -0.16 -0.27 3.04 5.85 -0.99 0.23 115.31 124.23 3m8a h LEU 36 Ca 0.30 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 3m8a h LEU 36 Cb 0.09 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3m8a h LEU 36 CO -0.04 -0.08 0.03 -0.09 -0.34 0.00 0.00 178.44 177.92 3m8a h ARG 37 N -0.08 0.46 -0.26 1.25 2.43 -1.06 -2.34 114.38 114.78 3m8a h ARG 37 Ca 0.03 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3m8a h ARG 37 Cb 0.13 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3m8a h ARG 37 CO -0.08 0.59 0.07 0.00 -1.51 0.00 0.00 179.97 179.05 3m8a h ARG 38 N 0.26 0.41 -0.21 0.20 3.08 -0.83 -3.13 114.38 114.16 3m8a h ARG 38 Ca 0.08 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3m8a h ARG 38 Cb 0.37 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3m8a h ARG 38 CO 0.01 0.49 0.02 -0.44 -1.07 0.00 0.00 179.97 178.99 3m8a h ASP 39 N 0.24 0.27 -0.34 7.04 3.32 -0.53 -1.98 116.42 124.44 3m8a h ASP 39 Ca 0.08 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3m8a h ASP 39 Cb 0.26 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3m8a h ASP 39 CO -0.00 0.30 0.12 -0.61 -1.72 0.00 0.00 179.24 177.33 3m8a h GLN 40 N 0.29 0.52 -0.74 3.56 4.15 -1.37 0.11 115.11 121.63 3m8a h GLN 40 Ca 0.07 -0.10 -0.06 0.00 0.77 0.00 0.00 58.65 59.33 3m8a h GLN 40 Cb 0.16 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 3m8a h GLN 40 CO 0.00 0.53 0.22 0.87 -1.93 0.00 0.00 178.83 178.52 3m8a h LYS 41 N 0.40 1.16 -0.67 1.69 1.57 -1.44 -1.40 116.57 117.88 3m8a h LYS 41 Ca 0.11 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 3m8a h LYS 41 Cb 0.21 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3m8a h LYS 41 CO -0.01 0.99 0.16 1.03 -0.57 0.00 0.00 179.45 181.05 3m8a h SER 42 N 1.11 1.03 -0.40 0.86 0.87 -1.14 -1.99 113.55 113.89 3m8a h SER 42 Ca 0.24 -0.24 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 3m8a h SER 42 Cb 0.33 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3m8a h SER 42 CO -0.01 1.00 -0.07 -0.07 -0.53 0.00 0.00 176.83 177.15 3m8a h LEU 43 N 1.01 0.82 -0.39 2.23 3.38 -0.44 -0.29 115.31 121.62 3m8a h LEU 43 Ca 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3m8a h LEU 43 Cb 0.38 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3m8a h LEU 43 CO 0.00 0.92 0.21 0.11 0.09 0.00 0.00 178.44 179.78 3m8a h LYS 44 N 0.76 0.54 -0.37 1.13 1.57 -0.96 0.14 116.57 119.37 3m8a h LYS 44 Ca 0.13 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3m8a h LYS 44 Cb 0.56 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3m8a h LYS 44 CO 0.03 0.45 0.08 0.78 -0.57 0.00 0.00 179.45 180.22 3m8a h GLY 45 N 0.50 0.66 0.99 3.86 0.00 -1.14 -2.18 103.07 105.75 3m8a h GLY 45 Ca 0.14 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 3m8a h GLY 45 CO -0.02 0.39 0.26 3.21 0.00 0.00 0.00 176.54 180.38 3m8a h ARG 46 N 0.46 0.89 -0.68 4.80 3.08 -0.82 -1.93 114.38 120.17 3m8a h ARG 46 Ca 0.12 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3m8a h ARG 46 Cb 0.33 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3m8a h ARG 46 CO 0.00 0.74 0.33 0.78 -1.07 0.00 0.00 179.97 180.75 3m8a h GLY 47 N 0.83 1.04 0.86 0.04 0.00 -0.62 -1.52 103.07 103.70 3m8a h GLY 47 Ca 0.20 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 3m8a h GLY 47 CO -0.02 0.47 -0.09 -0.57 0.00 0.00 0.00 176.54 176.33 3m8a h ASN 48 N 0.97 0.52 -0.38 0.19 -0.73 -1.22 0.17 115.58 115.10 3m8a h ASN 48 Ca 0.24 -0.39 0.01 0.00 1.87 0.00 0.00 56.30 58.03 3m8a h ASN 48 Cb 0.10 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.53 3m8a h ASN 48 CO -0.03 0.79 0.24 0.74 -0.37 0.00 0.00 177.43 178.80 3m8a h THR 49 N 0.25 1.07 0.00 -3.57 2.02 -0.90 -2.95 112.91 108.83 3m8a h THR 49 Ca 0.06 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3m8a h THR 49 Cb 0.58 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3m8a h THR 49 CO 0.03 0.09 -0.02 0.18 0.37 0.00 0.00 175.52 176.17 3m8a n LEU 50 N -4.84 0.63 -1.43 2.58 4.77 -0.61 -4.94 117.00 113.16 3m8a n LEU 50 Ca 0.00 0.55 -0.11 0.00 -0.03 0.00 0.00 56.01 56.42 3m8a n LEU 50 Cb 0.04 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 40.78 3m8a n LEU 50 CO 0.34 -0.14 -0.07 0.61 -1.33 0.00 0.00 177.39 176.80 3m8a n GLY 51 N 1.35 -0.00 3.36 -0.72 0.00 -0.16 -5.02 105.19 104.00 3m8a n GLY 51 Ca 0.06 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.35 2.64 0.09 0.99 1.43 0.42 -5.03 118.68 115.88 3m8a s LEU 52 Ca 0.08 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.53 3m8a s LEU 52 Cb -0.03 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 3m8a s LEU 52 CO 0.09 0.18 1.03 -0.62 0.23 0.00 0.00 176.35 177.27 3m8a s ASP 53 N 0.24 7.35 0.19 2.29 2.15 -1.26 -4.42 116.67 123.22 3m8a s ASP 53 Ca -0.10 1.85 -0.12 0.00 0.43 0.00 0.00 52.55 54.62 3m8a s ASP 53 Cb -0.16 -2.59 0.12 0.00 -0.30 0.00 0.00 42.92 40.00 3m8a s ASP 53 CO 0.06 -0.21 1.86 0.40 -0.17 0.00 0.00 175.17 177.10 3m8a h ILE 54 N 4.24 1.15 -0.19 4.11 2.04 -1.94 -0.61 117.51 126.31 3m8a h ILE 54 Ca -0.42 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.18 3m8a h ILE 54 Cb 1.21 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3m8a h ILE 54 CO 0.74 0.15 -0.02 -0.08 0.00 0.00 0.00 178.15 178.95 3m8a h GLU 55 N 0.85 0.04 -0.18 2.37 4.81 -1.99 0.73 114.58 121.21 3m8a h GLU 55 Ca 0.24 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3m8a h GLU 55 Cb -0.08 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3m8a h GLU 55 CO -0.06 0.02 -0.00 1.15 -0.73 0.00 0.00 179.01 179.39 3m8a h THR 56 N 0.04 1.26 -0.78 0.32 2.02 -1.96 -2.94 112.91 110.86 3m8a h THR 56 Ca 0.09 -0.87 0.05 0.00 0.77 0.00 0.00 66.41 66.44 3m8a h THR 56 Cb 0.12 1.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 3m8a h THR 56 CO -0.16 0.26 0.51 0.00 0.37 0.00 0.00 175.52 176.50 3m8a h ALA 57 N 0.77 1.57 -0.51 6.16 0.00 -0.84 -1.68 119.26 124.73 3m8a h ALA 57 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3m8a h ALA 57 Cb 0.39 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3m8a h ALA 57 CO 0.01 0.33 0.25 1.15 0.00 0.00 0.00 179.25 181.00 3m8a h THR 58 N 0.92 1.19 -0.33 0.00 2.02 -0.82 0.15 112.91 116.04 3m8a h THR 58 Ca 0.32 -0.53 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 3m8a h THR 58 Cb 0.12 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3m8a h THR 58 CO -0.10 0.21 -0.21 -0.07 0.37 0.00 0.00 175.52 175.72 3m8a h LEU 59 N 0.68 0.63 -0.27 2.58 3.38 -1.17 -1.39 115.31 119.75 3m8a h LEU 59 Ca 0.18 -0.21 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 3m8a h LEU 59 Cb 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3m8a h LEU 59 CO -0.02 0.83 -0.48 0.58 0.09 0.00 0.00 178.44 179.44 3m8a h VAL 60 N 0.56 1.29 -0.51 1.22 2.07 -1.13 -3.04 116.25 116.70 3m8a h VAL 60 Ca 0.08 -1.68 0.02 0.00 0.82 0.00 0.00 66.70 65.95 3m8a h VAL 60 Cb 0.66 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 3m8a h VAL 60 CO 0.05 0.54 0.34 1.23 0.02 0.00 0.00 177.57 179.75 3m8a h GLY 61 N 0.55 0.68 0.95 2.17 0.00 -0.38 -1.10 103.07 105.95 3m8a h GLY 61 Ca 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3m8a h GLY 61 CO 0.11 0.22 0.16 1.70 0.00 0.00 0.00 176.54 178.72 3m8a h LYS 62 N 0.62 0.42 -0.69 4.80 3.64 -1.16 0.03 116.57 124.23 3m8a h LYS 62 Ca 0.20 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3m8a h LYS 62 Cb 0.05 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 3m8a h LYS 62 CO -0.05 0.38 0.35 1.96 -2.27 0.00 0.00 179.45 179.82 3m8a h GLN 63 N 0.36 0.99 0.09 1.90 1.08 -1.29 -0.85 115.11 117.39 3m8a h GLN 63 Ca 0.10 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3m8a h GLN 63 Cb 0.08 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 3m8a h GLN 63 CO -0.02 0.76 -0.05 0.82 -0.95 0.00 0.00 178.83 179.40 3m8a h ILE 64 N 0.96 0.99 -0.42 2.54 2.04 -0.84 -1.23 117.51 121.55 3m8a h ILE 64 Ca 0.24 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.81 3m8a h ILE 64 Cb 0.08 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3m8a h ILE 64 CO -0.03 0.07 0.27 0.58 0.00 0.00 0.00 178.15 179.04 3m8a h VAL 65 N -0.26 1.09 -0.95 1.67 2.07 -0.89 0.09 116.25 119.07 3m8a h VAL 65 Ca -0.01 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.35 3m8a h VAL 65 Cb 0.22 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 3m8a h VAL 65 CO 0.02 0.10 0.63 -0.33 0.02 0.00 0.00 177.57 178.01 3m8a h GLU 66 N 0.55 1.18 -0.34 1.57 5.08 -1.09 0.01 114.58 121.54 3m8a h GLU 66 Ca 0.16 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 3m8a h GLU 66 Cb -0.04 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 3m8a h GLU 66 CO -0.05 0.78 -0.24 2.35 -1.00 0.00 0.00 179.01 180.85 3m8a h TRP 67 N 1.22 0.78 -0.28 4.33 7.01 -0.63 -1.95 115.95 126.43 3m8a h TRP 67 Ca 0.37 -0.18 -0.04 0.00 2.11 0.00 0.00 58.89 61.15 3m8a h TRP 67 Cb -0.02 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 26.85 3m8a h TRP 67 CO -0.00 0.86 -0.00 0.82 -2.79 0.00 0.00 178.44 177.33 3m8a h ILE 68 N 0.60 1.26 -0.00 2.65 1.08 -0.10 -3.23 117.51 119.77 3m8a h ILE 68 Ca 0.08 -0.93 0.00 0.00 -0.39 0.00 0.00 64.86 63.63 3m8a h ILE 68 Cb 0.73 1.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.79 3m8a h ILE 68 CO 0.06 0.30 -0.03 0.18 -0.69 0.00 0.00 178.15 177.96 3m8a n LEU 69 N -4.59 0.06 0.00 1.44 4.77 -0.09 -5.10 117.00 113.48 3m8a n LEU 69 Ca -0.03 0.36 0.10 0.00 -0.03 0.00 0.00 56.01 56.40 3m8a n LEU 69 Cb 0.25 -0.38 0.57 0.00 -2.33 0.00 0.00 43.42 41.53 3m8a n LEU 69 CO 0.38 0.01 0.77 2.29 -1.33 0.00 0.00 177.39 179.51