#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6h n SER 2 N 0.00 1.34 -4.44 1.61 7.64 -1.26 -4.83 113.62 113.68 1x6h n SER 2 Ca 0.00 1.10 -0.44 0.00 1.01 0.00 0.00 58.87 60.54 1x6h n SER 2 Cb 0.00 -0.93 -0.01 0.00 -1.01 0.00 0.00 64.21 62.26 1x6h n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x6h s SER 3 N 3.51 6.87 0.19 6.43 0.01 -1.26 -4.86 113.70 124.60 1x6h s SER 3 Ca 1.06 -2.60 -0.11 0.00 1.31 0.00 0.00 55.95 55.61 1x6h s SER 3 Cb -1.43 -2.38 0.19 0.00 0.21 0.00 0.00 66.02 62.61 1x6h s SER 3 CO 0.77 -0.85 1.80 1.23 0.41 0.00 0.00 173.24 176.61 1x6h h GLY 4 N 9.71 0.85 -3.09 3.44 0.00 -2.00 -3.44 103.07 108.54 1x6h h GLY 4 Ca 0.23 -0.22 -0.57 0.00 0.00 0.00 0.00 47.33 46.77 1x6h h GLY 4 CO 1.14 0.14 -1.17 -1.26 0.00 0.00 0.00 176.54 175.39 1x6h n SER 5 N -4.83 -3.76 -1.93 0.19 2.88 -1.26 -4.75 113.62 100.15 1x6h n SER 5 Ca 0.06 0.44 -0.11 0.00 -1.33 0.00 0.00 58.87 57.93 1x6h n SER 5 Cb 0.15 -0.94 -0.11 0.00 -0.75 0.00 0.00 64.21 62.55 1x6h n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x6h n SER 6 N 1.80 5.44 0.00 -3.46 2.88 -1.26 -4.88 113.62 114.14 1x6h n SER 6 Ca 0.05 -2.56 0.00 0.00 -1.33 0.00 0.00 58.87 55.03 1x6h n SER 6 Cb 0.52 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1x6h n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6h n GLY 7 N 2.03 2.04 2.36 0.46 0.00 -1.26 -4.79 105.19 106.02 1x6h n GLY 7 Ca 0.33 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 1x6h n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6h n ARG 8 N 1.16 2.93 -3.28 1.61 1.74 -1.26 -4.93 116.66 114.63 1x6h n ARG 8 Ca 0.00 -3.58 -0.45 0.00 -0.77 0.00 0.00 57.85 53.06 1x6h n ARG 8 Cb 0.00 -2.28 -0.06 0.00 -1.02 0.00 0.00 32.46 29.10 1x6h n ARG 8 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1x6h s THR 9 N -4.86 5.09 0.31 0.55 2.01 -1.26 -5.05 115.64 112.43 1x6h s THR 9 Ca 0.59 -1.04 0.08 0.00 0.31 0.00 0.00 61.69 61.64 1x6h s THR 9 Cb 0.47 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1x6h s THR 9 CO -0.07 -0.78 0.15 -1.38 -0.69 0.00 0.00 174.62 171.85 1x6h s HIS 10 N 2.01 2.80 0.09 4.92 -3.43 -1.26 -5.11 115.29 115.30 1x6h s HIS 10 Ca 0.07 -0.30 -0.25 0.00 -0.80 0.00 0.00 55.06 53.78 1x6h s HIS 10 Cb -0.25 -1.56 -0.06 0.00 -1.43 0.00 0.00 32.58 29.28 1x6h s HIS 10 CO 0.07 0.38 0.76 0.99 -2.00 0.00 0.00 174.74 174.93 1x6h s THR 11 N -2.35 4.61 -5.00 -5.38 2.01 -1.26 -4.99 115.64 103.28 1x6h s THR 11 Ca 0.37 1.63 0.00 0.00 0.31 0.00 0.00 61.69 63.99 1x6h s THR 11 Cb -0.05 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.36 1x6h s THR 11 CO 0.23 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 175.20 1x6h n GLY 12 N 2.08 -2.37 3.07 4.40 0.00 -1.26 -5.14 105.19 105.97 1x6h n GLY 12 Ca -0.04 -1.35 -0.25 0.00 0.00 0.00 0.00 46.02 44.37 1x6h n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x6h s GLU 13 N -1.94 1.76 -0.26 1.61 8.01 -1.26 -5.11 118.70 121.51 1x6h s GLU 13 Ca 0.00 -0.50 -0.01 0.00 0.01 0.00 0.00 54.97 54.48 1x6h s GLU 13 Cb 0.00 -1.47 0.08 0.00 -4.31 0.00 0.00 34.13 28.43 1x6h s GLU 13 CO 0.00 0.11 0.04 0.15 0.01 0.00 0.00 175.26 175.57 1x6h s LYS 14 N 0.41 0.97 0.35 1.61 1.02 -1.26 -4.67 119.74 118.17 1x6h s LYS 14 Ca -0.11 -0.90 0.14 0.00 0.02 0.00 0.00 55.97 55.12 1x6h s LYS 14 Cb -0.14 -2.25 0.63 0.00 -0.52 0.00 0.00 37.83 35.55 1x6h s LYS 14 CO 0.03 -0.78 1.75 -1.00 -0.92 0.00 0.00 175.35 174.44 1x6h h PRO 15 N 8.07 0.00 -5.89 -1.68 0.13 -1.82 -3.41 132.00 127.40 1x6h h PRO 15 Ca -0.15 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.39 1x6h h PRO 15 Cb 1.06 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.08 1x6h h PRO 15 CO 0.42 0.44 0.78 0.71 -0.23 0.00 0.00 178.00 180.12 1x6h s TYR 16 N -3.90 2.50 -0.21 1.56 1.51 -1.05 -4.98 117.35 112.78 1x6h s TYR 16 Ca -0.02 -0.28 -0.05 0.00 -1.01 0.00 0.00 57.07 55.71 1x6h s TYR 16 Cb 0.13 -4.44 -0.02 0.00 -0.11 0.00 0.00 41.96 37.52 1x6h s TYR 16 CO 0.72 -1.83 0.01 0.00 -1.11 0.00 0.00 175.55 173.35 1x6h s ALA 17 N 4.82 3.03 0.54 3.71 0.00 -1.26 -0.22 121.76 132.39 1x6h s ALA 17 Ca 0.29 -1.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 1x6h s ALA 17 Cb -0.13 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 1x6h s ALA 17 CO 0.13 -0.24 1.28 0.00 0.00 0.00 0.00 175.76 176.93 1x6h h SER 19 N 1.41 0.00 -0.95 0.00 0.87 -1.99 -3.38 113.55 109.51 1x6h h SER 19 Ca -0.50 -0.37 0.21 0.00 -1.23 0.00 0.00 61.79 59.89 1x6h h SER 19 Cb 1.29 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.14 1x6h h SER 19 CO 0.57 1.17 0.52 0.45 -0.53 0.00 0.00 176.83 179.01 1x6h h HIS 20 N -1.00 0.89 -1.77 2.24 3.86 -1.99 -3.43 115.15 113.95 1x6h h HIS 20 Ca -0.19 0.04 -0.60 0.00 -1.16 0.00 0.00 60.37 58.45 1x6h h HIS 20 Cb 0.96 -0.25 -0.13 0.00 1.06 0.00 0.00 27.41 29.05 1x6h h HIS 20 CO 0.02 0.10 -0.52 0.00 0.86 0.00 0.00 177.93 178.38 1x6h n ASP 22 N -1.24 7.13 -4.93 0.00 2.03 -1.26 -4.37 116.55 113.91 1x6h n ASP 22 Ca -0.11 -3.59 -0.27 0.00 0.52 0.00 0.00 54.79 51.34 1x6h n ASP 22 Cb 0.66 -0.99 -0.03 0.00 -0.72 0.00 0.00 41.12 40.04 1x6h n ASP 22 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1x6h s LYS 23 N -3.27 3.52 0.10 -0.67 -0.14 -1.26 -4.95 119.74 113.06 1x6h s LYS 23 Ca 0.56 -0.34 0.03 0.00 -1.36 0.00 0.00 55.97 54.85 1x6h s LYS 23 Cb 0.44 -2.84 -0.04 0.00 -1.68 0.00 0.00 37.83 33.71 1x6h s LYS 23 CO -0.00 0.40 -0.08 0.95 -0.76 0.00 0.00 175.35 175.86 1x6h s THR 24 N -1.87 0.80 0.06 2.17 -4.23 -1.26 -0.09 115.64 111.22 1x6h s THR 24 Ca 0.38 -1.79 -0.14 0.00 -1.18 0.00 0.00 61.69 58.97 1x6h s THR 24 Cb -0.11 -1.51 0.02 0.00 1.34 0.00 0.00 72.50 72.24 1x6h s THR 24 CO 0.29 -0.73 0.31 -0.36 -0.54 0.00 0.00 174.62 173.59 1x6h s PHE 25 N -3.06 -0.09 -0.08 3.99 0.40 0.70 -4.97 117.98 114.87 1x6h s PHE 25 Ca 0.09 -0.12 -0.10 0.00 -0.60 0.00 0.00 56.93 56.19 1x6h s PHE 25 Cb 0.01 0.10 -0.07 0.00 0.51 0.00 0.00 43.02 43.57 1x6h s PHE 25 CO -0.02 -0.55 0.36 0.00 0.70 0.00 0.00 175.22 175.71 1x6h h ARG 26 N 2.98 -0.15 -5.46 0.44 3.08 -1.85 -2.78 114.38 110.64 1x6h h ARG 26 Ca -0.32 0.01 -0.63 0.00 0.07 0.00 0.00 59.98 59.11 1x6h h ARG 26 Cb 1.21 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 31.20 1x6h h ARG 26 CO 0.48 0.07 -0.46 -0.65 -1.07 0.00 0.00 179.97 178.34 1x6h s GLN 27 N -2.31 3.91 0.32 0.04 -1.52 -1.26 -4.58 119.66 114.26 1x6h s GLN 27 Ca -0.06 -0.13 0.09 0.00 -1.95 0.00 0.00 55.36 53.31 1x6h s GLN 27 Cb -0.00 -3.33 0.94 0.00 -0.22 0.00 0.00 33.01 30.40 1x6h s GLN 27 CO 0.20 0.49 1.64 1.57 -0.25 0.00 0.00 175.29 178.95 1x6h h LYS 28 N 5.96 0.22 -0.85 2.91 2.10 -1.97 0.16 116.57 125.11 1x6h h LYS 28 Ca -0.47 -0.01 0.19 0.00 -2.00 0.00 0.00 60.65 58.36 1x6h h LYS 28 Cb 1.18 -0.05 -0.16 0.00 -0.90 0.00 0.00 32.23 32.31 1x6h h LYS 28 CO 0.69 0.14 -0.08 0.37 -2.00 0.00 0.00 179.45 178.57 1x6h h GLN 29 N 0.23 0.04 0.40 0.07 4.15 -1.98 0.60 115.11 118.61 1x6h h GLN 29 Ca 0.67 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 60.07 1x6h h GLN 29 Cb 1.48 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 29.16 1x6h h GLN 29 CO -0.67 0.03 -0.23 -0.07 -1.93 0.00 0.00 178.83 175.96 1x6h h LEU 30 N 0.04 -0.58 -2.17 -2.39 -0.00 -1.08 0.10 115.31 109.23 1x6h h LEU 30 Ca 0.45 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 58.36 1x6h h LEU 30 Cb 0.79 0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 41.62 1x6h h LEU 30 CO -0.81 -0.38 -0.04 0.25 -0.00 0.00 0.00 178.44 177.47 1x6h h LEU 31 N -0.60 0.00 0.02 1.67 5.85 -1.00 0.22 115.31 121.47 1x6h h LEU 31 Ca -0.04 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1x6h h LEU 31 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1x6h h LEU 31 CO 0.05 0.04 -0.01 -0.78 -0.34 0.00 0.00 178.44 177.40 1x6h h ASP 32 N 0.00 -0.02 0.44 1.25 3.58 0.78 -3.05 116.42 119.40 1x6h h ASP 32 Ca -0.00 -0.66 -0.11 0.00 0.42 0.00 0.00 57.03 56.69 1x6h h ASP 32 Cb 0.08 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 1x6h h ASP 32 CO 0.00 0.66 -0.48 0.00 -2.88 0.00 0.00 179.24 176.54 1x6h h MET 33 N -0.73 0.05 -0.53 0.28 -0.00 -0.48 -3.01 114.93 110.52 1x6h h MET 33 Ca -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1x6h h MET 33 Cb 0.68 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.25 1x6h h MET 33 CO 0.00 0.53 0.34 1.25 -0.00 0.00 0.00 176.91 179.03 1x6h h HIS 34 N 0.04 0.68 0.67 -0.10 -0.00 -0.63 0.31 115.15 116.12 1x6h h HIS 34 Ca -0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 1x6h h HIS 34 Cb 0.88 -0.23 0.01 0.00 -0.00 0.00 0.00 27.41 28.06 1x6h h HIS 34 CO 0.00 0.45 -0.32 0.35 -0.00 0.00 0.00 177.93 178.41 1x6h h PHE 35 N 0.71 -0.83 0.00 5.26 3.04 -1.44 0.25 116.94 123.93 1x6h h PHE 35 Ca 0.19 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1x6h h PHE 35 Cb -0.05 0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.73 1x6h h PHE 35 CO -0.03 -0.48 0.00 1.63 -2.02 0.00 0.00 178.31 177.41 1x6h n LYS 36 N -5.40 0.05 -0.06 1.11 4.76 -1.14 -1.38 118.16 116.10 1x6h n LYS 36 Ca -0.12 0.29 -0.06 0.00 -2.87 0.00 0.00 58.31 55.55 1x6h n LYS 36 Cb 0.37 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.05 1x6h n LYS 36 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1x6h n ARG 37 N -1.35 0.37 0.02 1.97 0.63 0.09 -1.86 116.66 116.53 1x6h n ARG 37 Ca 0.02 0.25 -0.01 0.00 -0.92 0.00 0.00 57.85 57.18 1x6h n ARG 37 Cb 0.05 -1.26 -0.01 0.00 0.45 0.00 0.00 32.46 31.69 1x6h n ARG 37 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 1x6h h TYR 38 N -0.73 -0.08 0.00 -0.14 -1.99 -0.46 -3.28 116.97 110.29 1x6h h TYR 38 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1x6h h TYR 38 Cb 0.62 0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.38 1x6h h TYR 38 CO -0.27 -0.05 0.26 0.45 -0.00 0.00 0.00 178.16 178.55 1x6h h HIS 39 N -0.29 0.00 -3.25 4.88 3.86 -1.37 -3.36 115.15 115.63 1x6h h HIS 39 Ca -0.01 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.73 1x6h h HIS 39 Cb 0.07 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.15 1x6h h HIS 39 CO 0.04 0.00 -0.77 -0.51 0.86 0.00 0.00 177.93 177.55 1x6h s ASP 40 N -4.37 2.11 0.00 2.45 1.11 -0.75 -4.98 116.67 112.24 1x6h s ASP 40 Ca -0.03 -0.38 0.08 0.00 0.18 0.00 0.00 52.55 52.40 1x6h s ASP 40 Cb 0.08 -0.50 0.50 0.00 1.07 0.00 0.00 42.92 44.08 1x6h s ASP 40 CO 0.27 -0.24 0.95 -0.81 1.18 0.00 0.00 175.17 176.52 1x6h n PRO 41 N 5.11 0.49 0.07 8.23 -0.04 -1.25 -3.36 135.00 144.26 1x6h n PRO 41 Ca -0.08 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.35 1x6h n PRO 41 Cb 0.49 -1.27 -0.02 0.00 -0.04 0.00 0.00 33.50 32.66 1x6h n PRO 41 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1x6h h ASN 42 N 0.00 -0.18 -3.30 3.54 4.21 -1.82 -3.45 115.58 114.58 1x6h h ASN 42 Ca 0.00 0.01 -0.53 0.00 1.21 0.00 0.00 56.30 56.99 1x6h h ASN 42 Cb 0.00 0.05 0.06 0.00 -1.12 0.00 0.00 38.32 37.30 1x6h h ASN 42 CO 0.00 0.03 0.78 0.12 -1.29 0.00 0.00 177.43 177.07 1x6h s PHE 43 N -2.31 3.02 -0.16 1.19 2.19 -0.78 -5.01 117.98 116.13 1x6h s PHE 43 Ca -0.03 0.97 -0.04 0.00 0.33 0.00 0.00 56.93 58.15 1x6h s PHE 43 Cb 0.00 -3.84 0.08 0.00 -1.31 0.00 0.00 43.02 37.95 1x6h s PHE 43 CO 0.09 -2.78 0.24 0.54 1.83 0.00 0.00 175.22 175.15 1x6h s VAL 44 N 0.17 -0.38 0.17 3.12 0.11 -1.26 -4.41 120.40 117.92 1x6h s VAL 44 Ca 0.61 0.13 -0.30 0.00 -2.93 0.00 0.00 61.98 59.49 1x6h s VAL 44 Cb -0.42 -0.53 -0.08 0.00 -1.53 0.00 0.00 36.38 33.82 1x6h s VAL 44 CO 0.41 -0.01 1.33 -2.16 -3.33 0.00 0.00 175.10 171.35 1x6h s PRO 45 N 2.38 4.37 -0.45 1.54 0.04 -1.26 -4.96 135.00 136.66 1x6h s PRO 45 Ca 0.04 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.84 1x6h s PRO 45 Cb -0.14 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1x6h s PRO 45 CO -0.10 -0.31 1.50 0.00 0.04 0.00 0.00 177.00 178.14 1x6h s ALA 46 N 0.46 2.90 -0.30 8.56 0.00 -1.26 -4.97 121.76 127.15 1x6h s ALA 46 Ca 0.59 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.32 1x6h s ALA 46 Cb -0.36 -4.02 0.07 0.00 0.00 0.00 0.00 23.12 18.81 1x6h s ALA 46 CO 0.35 -2.68 -0.03 0.00 0.00 0.00 0.00 175.76 173.40 1x6h s ALA 47 N 6.08 2.73 -0.24 0.00 0.00 -1.26 -4.60 121.76 124.46 1x6h s ALA 47 Ca 0.62 -2.05 0.02 0.00 0.00 0.00 0.00 51.96 50.54 1x6h s ALA 47 Cb -0.14 -1.78 0.06 0.00 0.00 0.00 0.00 23.12 21.25 1x6h s ALA 47 CO 0.30 -1.39 -0.08 -0.06 0.00 0.00 0.00 175.76 174.53 1x6h s PHE 48 N 1.05 2.73 0.00 0.00 0.40 -1.04 -5.02 117.98 116.10 1x6h s PHE 48 Ca -0.01 -1.96 -0.01 0.00 -0.60 0.00 0.00 56.93 54.35 1x6h s PHE 48 Cb -0.20 -1.72 -0.04 0.00 0.51 0.00 0.00 43.02 41.58 1x6h s PHE 48 CO -0.06 -0.81 0.11 0.08 0.70 0.00 0.00 175.22 175.25 1x6h s VAL 49 N 1.28 4.94 0.40 -0.44 1.01 -1.26 -0.64 120.40 125.69 1x6h s VAL 49 Ca -0.07 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 1x6h s VAL 49 Cb -0.19 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 1x6h s VAL 49 CO -0.06 0.32 1.11 0.00 0.00 0.00 0.00 175.10 176.47 1x6h n SER 51 N 0.00 1.17 -0.09 0.00 7.64 -1.26 -2.86 113.62 118.23 1x6h n SER 51 Ca 0.05 -1.03 -0.15 0.00 1.01 0.00 0.00 58.87 58.75 1x6h n SER 51 Cb 0.48 0.77 -0.09 0.00 -1.01 0.00 0.00 64.21 64.35 1x6h n SER 51 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1x6h h LYS 52 N 0.59 0.00 0.00 1.43 1.57 -1.92 -3.44 116.57 114.80 1x6h h LYS 52 Ca 0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 1x6h h LYS 52 Cb 0.56 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1x6h h LYS 52 CO 0.00 0.77 -1.75 0.00 -0.57 0.00 0.00 179.45 177.90 1x6h n GLY 54 N 2.41 1.80 3.81 0.00 0.00 -1.14 -4.65 105.19 107.42 1x6h n GLY 54 Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1x6h n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6h s LYS 55 N -0.13 4.25 -0.02 1.61 1.02 -1.26 -4.68 119.74 120.53 1x6h s LYS 55 Ca 0.00 0.84 -0.18 0.00 0.02 0.00 0.00 55.97 56.65 1x6h s LYS 55 Cb 0.00 -2.99 -0.05 0.00 -0.52 0.00 0.00 37.83 34.26 1x6h s LYS 55 CO 0.00 0.47 0.49 0.95 -0.92 0.00 0.00 175.35 176.34 1x6h s THR 56 N -1.40 5.00 -0.02 2.17 -4.23 -1.26 -0.02 115.64 115.88 1x6h s THR 56 Ca 0.39 1.01 0.04 0.00 -1.18 0.00 0.00 61.69 61.96 1x6h s THR 56 Cb -0.18 -3.81 -0.01 0.00 1.34 0.00 0.00 72.50 69.84 1x6h s THR 56 CO 0.21 0.47 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.26 1x6h s PHE 57 N -0.44 1.35 0.18 3.99 0.40 0.19 -4.99 117.98 118.65 1x6h s PHE 57 Ca 0.26 -0.29 -0.05 0.00 -0.60 0.00 0.00 56.93 56.25 1x6h s PHE 57 Cb -0.17 -0.89 0.07 0.00 0.51 0.00 0.00 43.02 42.54 1x6h s PHE 57 CO 0.14 -0.06 1.48 0.00 0.70 0.00 0.00 175.22 177.48 1x6h h THR 58 N 4.95 1.31 -2.53 0.64 1.03 -1.84 -2.76 112.91 113.71 1x6h h THR 58 Ca -0.34 -1.80 -0.58 0.00 -0.01 0.00 0.00 66.41 63.68 1x6h h THR 58 Cb 1.16 1.76 -0.10 0.00 -1.07 0.00 0.00 68.15 69.90 1x6h h THR 58 CO 0.49 0.56 -0.64 -0.13 -0.01 0.00 0.00 175.52 175.78 1x6h s ARG 59 N -4.00 2.38 -0.04 0.00 0.52 -1.26 -4.57 118.95 111.97 1x6h s ARG 59 Ca -0.08 -1.25 -0.05 0.00 -0.52 0.00 0.00 55.73 53.84 1x6h s ARG 59 Cb 0.11 -2.28 -0.03 0.00 0.52 0.00 0.00 34.95 33.27 1x6h s ARG 59 CO 0.85 0.41 0.27 -0.09 0.02 0.00 0.00 175.30 176.76 1x6h h ARG 60 N 2.25 -0.17 -0.99 3.54 1.12 -1.93 -3.16 114.38 115.04 1x6h h ARG 60 Ca -0.46 0.01 0.15 0.00 -1.11 0.00 0.00 59.98 58.57 1x6h h ARG 60 Cb 1.23 0.04 -0.16 0.00 -0.01 0.00 0.00 29.97 31.07 1x6h h ARG 60 CO 0.59 -0.11 -0.41 -0.91 -3.11 0.00 0.00 179.97 176.02 1x6h h ASN 61 N -0.68 -1.50 -0.90 -3.80 4.21 -1.98 0.85 115.58 111.78 1x6h h ASN 61 Ca -0.02 0.31 0.17 0.00 1.21 0.00 0.00 56.30 57.98 1x6h h ASN 61 Cb 0.13 0.78 -0.10 0.00 -1.12 0.00 0.00 38.32 38.01 1x6h h ASN 61 CO 0.03 -0.28 0.47 0.74 -1.29 0.00 0.00 177.43 177.10 1x6h h THR 62 N -0.00 0.67 0.30 2.81 2.02 -2.01 -0.83 112.91 115.87 1x6h h THR 62 Ca 0.33 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 1x6h h THR 62 Cb 0.58 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1x6h h THR 62 CO -0.98 0.11 -0.15 -0.03 0.37 0.00 0.00 175.52 174.84 1x6h h MET 63 N 0.61 -0.39 -0.89 6.66 1.85 0.55 -2.36 114.93 120.96 1x6h h MET 63 Ca 0.51 0.03 0.23 0.00 -0.61 0.00 0.00 59.70 59.86 1x6h h MET 63 Cb 0.81 0.09 -0.16 0.00 0.43 0.00 0.00 31.60 32.77 1x6h h MET 63 CO -0.40 -0.09 0.06 0.00 -0.40 0.00 0.00 176.91 176.08 1x6h h ALA 64 N -0.69 1.07 -0.45 0.39 0.00 -0.04 0.39 119.26 119.92 1x6h h ALA 64 Ca -0.04 0.28 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1x6h h ALA 64 Cb 0.48 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1x6h h ALA 64 CO 0.07 -0.50 -0.02 0.00 0.00 0.00 0.00 179.25 178.80 1x6h h ARG 65 N 0.08 0.82 -0.80 0.00 3.08 -1.22 -3.01 114.38 113.33 1x6h h ARG 65 Ca 0.53 -0.27 0.08 0.00 0.07 0.00 0.00 59.98 60.39 1x6h h ARG 65 Cb 1.04 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.95 1x6h h ARG 65 CO -0.78 0.88 0.46 1.25 -1.07 0.00 0.00 179.97 180.71 1x6h h HIS 66 N 0.66 0.84 -0.23 3.04 2.76 0.26 -2.50 115.15 119.99 1x6h h HIS 66 Ca 0.13 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.38 1x6h h HIS 66 Cb 0.53 -0.26 -0.07 0.00 1.55 0.00 0.00 27.41 29.16 1x6h h HIS 66 CO 0.04 0.37 -0.26 0.00 -1.30 0.00 0.00 177.93 176.77 1x6h h ALA 67 N 1.42 -0.19 -0.58 5.26 0.00 -0.99 0.42 119.26 124.60 1x6h h ALA 67 Ca 0.37 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.43 1x6h h ALA 67 Cb 0.29 0.54 -0.10 0.00 0.00 0.00 0.00 17.79 18.52 1x6h h ALA 67 CO -0.22 -0.70 -0.48 -0.44 0.00 0.00 0.00 179.25 177.41 1x6h h ASP 68 N -0.28 -1.66 0.95 0.00 3.32 -1.46 0.62 116.42 117.90 1x6h h ASP 68 Ca 0.13 0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1x6h h ASP 68 Cb 0.48 0.73 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1x6h h ASP 68 CO -0.39 -0.34 0.00 0.78 -1.72 0.00 0.00 179.24 177.57 1x6h h ASN 69 N -0.25 0.00 -4.32 6.45 -0.26 -1.42 -3.44 115.58 112.35 1x6h h ASN 69 Ca 0.15 0.00 -0.50 0.00 -0.56 0.00 0.00 56.30 55.39 1x6h h ASN 69 Cb 0.56 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 37.87 1x6h h ASN 69 CO -0.70 0.00 0.41 0.00 -1.06 0.00 0.00 177.43 176.08 1x6h n ALA 71 N -2.50 2.21 0.00 0.00 0.00 -1.26 -4.90 120.51 114.06 1x6h n ALA 71 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1x6h n ALA 71 Cb 0.54 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1x6h n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x6h n GLY 72 N 2.22 -1.28 0.00 0.00 0.00 -1.26 -4.81 105.19 100.05 1x6h n GLY 72 Ca 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 46.02 45.07 1x6h n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x6h n PRO 73 N 0.00 0.49 -3.65 1.61 -0.04 -1.23 -4.50 135.00 127.69 1x6h n PRO 73 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 1x6h n PRO 73 Cb 0.00 -1.13 -0.11 0.00 -0.04 0.00 0.00 33.50 32.22 1x6h n PRO 73 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x6h s ASP 74 N -1.64 5.96 0.00 3.54 2.15 -1.26 -4.98 116.67 120.44 1x6h s ASP 74 Ca 0.06 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.06 1x6h s ASP 74 Cb 0.03 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.56 1x6h s ASP 74 CO 0.05 0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.66 1x6h n GLY 75 N 4.69 0.80 3.98 2.66 0.00 -1.26 -4.92 105.19 111.13 1x6h n GLY 75 Ca -0.15 -2.02 -0.25 0.00 0.00 0.00 0.00 46.02 43.60 1x6h n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x6h s VAL 76 N -1.75 2.10 0.09 1.61 -7.23 -1.26 -5.12 120.40 108.85 1x6h s VAL 76 Ca 0.00 -0.44 0.01 0.00 -1.81 0.00 0.00 61.98 59.74 1x6h s VAL 76 Cb 0.00 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1x6h s VAL 76 CO 0.00 0.00 -0.06 -1.83 -0.31 0.00 0.00 175.10 172.90 1x6h s GLU 77 N -5.33 0.81 0.48 4.82 4.04 -1.26 -5.14 118.70 117.12 1x6h s GLU 77 Ca 0.68 -1.33 0.02 0.00 0.04 0.00 0.00 54.97 54.38 1x6h s GLU 77 Cb -0.05 -0.15 -0.01 0.00 0.02 0.00 0.00 34.13 33.94 1x6h s GLU 77 CO 0.46 -0.04 0.07 0.20 -1.84 0.00 0.00 175.26 174.12 1x6h s GLY 78 N -3.03 2.92 -0.41 -3.83 0.00 -1.26 -5.12 107.32 96.59 1x6h s GLY 78 Ca 0.12 -0.59 0.02 0.00 0.00 0.00 0.00 44.72 44.26 1x6h s GLY 78 CO -0.05 -2.03 0.20 -0.54 0.00 0.00 0.00 173.10 170.68 1x6h s GLU 79 N -3.78 1.19 0.83 2.90 0.41 -1.26 -5.12 118.70 113.86 1x6h s GLU 79 Ca 0.11 -1.83 -0.12 0.00 -0.41 0.00 0.00 54.97 52.73 1x6h s GLU 79 Cb 0.01 -2.32 0.09 0.00 -1.78 0.00 0.00 34.13 30.13 1x6h s GLU 79 CO 0.08 -1.12 1.12 0.54 -0.49 0.00 0.00 175.26 175.39 1x6h s ASN 80 N 0.61 4.28 -0.90 -0.19 2.20 -1.26 -4.20 114.94 115.48 1x6h s ASN 80 Ca 0.16 1.13 -0.05 0.00 -0.94 0.00 0.00 52.86 53.16 1x6h s ASN 80 Cb -0.23 -1.79 0.01 0.00 -2.00 0.00 0.00 41.25 37.23 1x6h s ASN 80 CO -0.05 -2.09 0.78 -0.24 -2.94 0.00 0.00 177.10 172.57 1x6h n SER 81 N -3.48 -4.28 -3.17 3.54 2.88 -1.26 -5.00 113.62 102.85 1x6h n SER 81 Ca 0.07 -0.38 -0.07 0.00 -1.33 0.00 0.00 58.87 57.15 1x6h n SER 81 Cb 0.58 -3.60 0.07 0.00 -0.75 0.00 0.00 64.21 60.51 1x6h n SER 81 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6h n GLY 82 N -1.43 -2.35 0.07 0.46 0.00 -1.26 -4.92 105.19 95.76 1x6h n GLY 82 Ca -0.04 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1x6h n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6h h PRO 83 N 0.00 0.07 -6.51 1.61 0.13 -1.95 -3.47 132.00 121.88 1x6h h PRO 83 Ca -0.10 -0.04 -0.51 0.00 -0.87 0.00 0.00 66.00 64.49 1x6h h PRO 83 Cb 0.33 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.35 1x6h h PRO 83 CO 0.06 0.54 -0.81 0.43 -0.23 0.00 0.00 178.00 177.98 1x6h n SER 84 N -4.80 -3.23 0.28 1.44 7.64 -1.26 -4.87 113.62 108.82 1x6h n SER 84 Ca -0.08 -0.91 -0.18 0.00 1.01 0.00 0.00 58.87 58.70 1x6h n SER 84 Cb 0.27 -3.30 -0.10 0.00 -1.01 0.00 0.00 64.21 60.08 1x6h n SER 84 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1x6h h SER 85 N -1.79 -1.38 0.00 6.43 0.87 -2.03 -3.56 113.55 112.09 1x6h h SER 85 Ca -0.59 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1x6h h SER 85 Cb 1.38 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 63.80 1x6h h SER 85 CO 0.70 -0.65 0.00 0.61 -0.53 0.00 0.00 176.83 176.96