#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6h s SER 2 N 0.00 6.81 -0.20 1.61 0.15 -1.26 -5.07 113.70 115.74 1x6h s SER 2 Ca 0.00 0.97 -0.08 0.00 0.70 0.00 0.00 55.95 57.53 1x6h s SER 2 Cb 0.00 -2.26 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 1x6h s SER 2 CO 0.00 0.28 0.09 -0.94 1.20 0.00 0.00 173.24 173.87 1x6h s SER 3 N -0.85 5.74 0.18 5.45 1.04 -1.26 -5.06 113.70 118.95 1x6h s SER 3 Ca 0.24 0.08 -0.32 0.00 0.48 0.00 0.00 55.95 56.43 1x6h s SER 3 Cb -0.17 -2.00 -0.11 0.00 0.10 0.00 0.00 66.02 63.84 1x6h s SER 3 CO 0.13 0.13 1.66 -0.83 0.98 0.00 0.00 173.24 175.32 1x6h s GLY 4 N 0.62 1.37 -0.21 7.32 0.00 -1.26 -4.99 107.32 110.18 1x6h s GLY 4 Ca 0.05 1.48 -0.03 0.00 0.00 0.00 0.00 44.72 46.22 1x6h s GLY 4 CO 0.01 2.79 -0.08 -0.45 0.00 0.00 0.00 173.10 175.38 1x6h s SER 5 N 1.29 4.06 -0.09 1.64 0.15 -1.26 -4.99 113.70 114.50 1x6h s SER 5 Ca 0.73 -0.44 -0.01 0.00 0.70 0.00 0.00 55.95 56.93 1x6h s SER 5 Cb -0.47 -1.68 0.01 0.00 -1.71 0.00 0.00 66.02 62.17 1x6h s SER 5 CO 0.32 -0.01 2.29 -1.20 1.20 0.00 0.00 173.24 175.84 1x6h n SER 6 N 4.69 5.62 -0.22 5.45 7.64 -1.26 -4.92 113.62 130.61 1x6h n SER 6 Ca -0.19 -2.59 0.01 0.00 1.01 0.00 0.00 58.87 57.11 1x6h n SER 6 Cb 0.51 -1.16 -0.01 0.00 -1.01 0.00 0.00 64.21 62.53 1x6h n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6h n GLY 7 N 1.39 -2.85 3.63 0.23 0.00 -1.26 -4.89 105.19 101.44 1x6h n GLY 7 Ca 0.15 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 1x6h n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x6h s ARG 8 N -3.66 4.07 0.56 1.61 6.06 -1.26 -4.94 118.95 121.39 1x6h s ARG 8 Ca 0.00 0.00 0.27 0.00 -2.50 0.00 0.00 55.73 53.50 1x6h s ARG 8 Cb 0.00 -3.60 1.46 0.00 0.06 0.00 0.00 34.95 32.87 1x6h s ARG 8 CO 0.00 -0.14 1.80 1.79 -2.50 0.00 0.00 175.30 176.25 1x6h h THR 9 N 5.21 0.00 -3.54 4.11 1.35 -2.04 -3.38 112.91 114.61 1x6h h THR 9 Ca -0.34 0.00 -0.32 0.00 -0.55 0.00 0.00 66.41 65.19 1x6h h THR 9 Cb 1.17 0.60 -0.33 0.00 -1.73 0.00 0.00 68.15 67.85 1x6h h THR 9 CO 0.66 0.00 -0.74 -1.38 -0.25 0.00 0.00 175.52 173.81 1x6h s HIS 10 N -3.87 0.22 -0.03 4.73 -3.43 -1.26 -5.15 115.29 106.50 1x6h s HIS 10 Ca -0.03 0.03 -0.07 0.00 -0.80 0.00 0.00 55.06 54.18 1x6h s HIS 10 Cb 0.08 -0.32 -0.05 0.00 -1.43 0.00 0.00 32.58 30.86 1x6h s HIS 10 CO 0.25 -0.10 0.25 0.95 -2.00 0.00 0.00 174.74 174.08 1x6h s THR 11 N 0.88 5.33 -0.04 -5.38 -4.23 -1.26 -5.04 115.64 105.90 1x6h s THR 11 Ca -0.08 0.25 -0.04 0.00 -1.18 0.00 0.00 61.69 60.63 1x6h s THR 11 Cb -0.12 -3.54 -0.02 0.00 1.34 0.00 0.00 72.50 70.16 1x6h s THR 11 CO -0.02 0.46 0.25 1.23 -0.54 0.00 0.00 174.62 176.00 1x6h h GLY 12 N 4.33 -0.17 -5.67 3.99 0.00 -2.01 -3.49 103.07 100.05 1x6h h GLY 12 Ca -0.51 0.06 0.10 0.00 0.00 0.00 0.00 47.33 46.98 1x6h h GLY 12 CO 0.64 -0.06 0.53 1.85 0.00 0.00 0.00 176.54 179.49 1x6h s GLU 13 N -2.00 0.38 -0.56 4.80 2.12 -1.26 -5.12 118.70 117.06 1x6h s GLU 13 Ca -0.02 0.50 -0.08 0.00 0.36 0.00 0.00 54.97 55.73 1x6h s GLU 13 Cb 0.00 0.16 0.14 0.00 0.26 0.00 0.00 34.13 34.69 1x6h s GLU 13 CO 0.07 -0.05 0.42 0.15 -0.54 0.00 0.00 175.26 175.31 1x6h s LYS 14 N 0.48 2.62 0.50 4.30 1.02 -1.26 -4.66 119.74 122.74 1x6h s LYS 14 Ca 0.01 -2.06 0.29 0.00 0.02 0.00 0.00 55.97 54.22 1x6h s LYS 14 Cb -0.05 -3.92 1.20 0.00 -0.52 0.00 0.00 37.83 34.54 1x6h s LYS 14 CO -0.10 -1.19 1.93 -1.00 -0.92 0.00 0.00 175.35 174.07 1x6h h PRO 15 N 7.97 0.00 -5.10 -1.68 0.13 -1.81 -3.40 132.00 128.11 1x6h h PRO 15 Ca -0.11 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.36 1x6h h PRO 15 Cb 1.04 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.00 1x6h h PRO 15 CO 0.80 0.12 0.38 0.71 -0.23 0.00 0.00 178.00 179.78 1x6h s TYR 16 N -3.75 2.84 -0.19 1.56 1.51 -0.98 -4.99 117.35 113.36 1x6h s TYR 16 Ca 0.00 -0.78 -0.04 0.00 -1.01 0.00 0.00 57.07 55.24 1x6h s TYR 16 Cb 0.10 -4.18 -0.02 0.00 -0.11 0.00 0.00 41.96 37.75 1x6h s TYR 16 CO 0.59 -1.49 -0.03 0.00 -1.11 0.00 0.00 175.55 173.50 1x6h s ALA 17 N 3.40 2.93 0.64 3.71 0.00 -1.26 0.31 121.76 131.49 1x6h s ALA 17 Ca 0.18 -0.99 -0.17 0.00 0.00 0.00 0.00 51.96 50.98 1x6h s ALA 17 Cb -0.19 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 1x6h s ALA 17 CO 0.07 -0.10 0.81 0.00 0.00 0.00 0.00 175.76 176.54 1x6h n SER 19 N -0.66 0.92 -0.08 0.00 3.41 -1.26 -4.29 113.62 111.65 1x6h n SER 19 Ca 0.13 -0.91 -0.10 0.00 -0.26 0.00 0.00 58.87 57.73 1x6h n SER 19 Cb 0.48 1.04 -0.16 0.00 -0.26 0.00 0.00 64.21 65.32 1x6h n SER 19 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1x6h n HIS 20 N -1.55 0.24 -4.43 7.33 8.25 -1.26 -5.01 115.22 118.78 1x6h n HIS 20 Ca 0.04 0.09 -0.22 0.00 -0.26 0.00 0.00 57.72 57.36 1x6h n HIS 20 Cb 0.35 -1.04 -0.09 0.00 1.12 0.00 0.00 29.99 30.33 1x6h n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x6h n ASP 22 N -1.06 3.90 -4.93 0.00 2.03 -1.26 -4.37 116.55 110.86 1x6h n ASP 22 Ca -0.02 -2.97 -0.25 0.00 0.52 0.00 0.00 54.79 52.07 1x6h n ASP 22 Cb 0.65 -0.75 -0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 -1.96 3.44 0.03 -0.67 -0.14 -1.26 -4.98 119.74 114.20 1x6h s LYS 23 Ca 0.34 -0.18 -0.02 0.00 -1.36 0.00 0.00 55.97 54.75 1x6h s LYS 23 Cb 0.28 -2.55 -0.02 0.00 -1.68 0.00 0.00 37.83 33.85 1x6h s LYS 23 CO 0.05 -0.03 -0.00 0.95 -0.76 0.00 0.00 175.35 175.56 1x6h s THR 24 N -2.49 0.15 -0.06 2.17 -4.23 -1.26 -1.67 115.64 108.25 1x6h s THR 24 Ca 0.44 -1.22 -0.09 0.00 -1.18 0.00 0.00 61.69 59.64 1x6h s THR 24 Cb -0.10 -0.78 0.02 0.00 1.34 0.00 0.00 72.50 72.98 1x6h s THR 24 CO 0.39 -0.67 0.22 -0.36 -0.54 0.00 0.00 174.62 173.66 1x6h s PHE 25 N -2.45 -0.19 0.07 3.99 0.40 0.15 -4.99 117.98 114.97 1x6h s PHE 25 Ca -0.07 0.43 -0.19 0.00 -0.60 0.00 0.00 56.93 56.50 1x6h s PHE 25 Cb -0.03 0.06 -0.10 0.00 0.51 0.00 0.00 43.02 43.46 1x6h s PHE 25 CO -0.04 -0.19 1.47 0.07 0.70 0.00 0.00 175.22 177.23 1x6h h ARG 26 N 5.25 0.41 -6.26 0.44 0.11 -1.83 -2.60 114.38 109.90 1x6h h ARG 26 Ca -0.27 -0.15 -0.68 0.00 0.10 0.00 0.00 59.98 58.98 1x6h h ARG 26 Cb 1.19 -0.03 -0.17 0.00 1.11 0.00 0.00 29.97 32.07 1x6h h ARG 26 CO 0.37 0.65 -0.70 -0.65 0.10 0.00 0.00 179.97 179.74 1x6h s GLN 27 N -4.80 2.59 0.28 0.08 -0.21 -1.26 -4.57 119.66 111.78 1x6h s GLN 27 Ca -0.14 -0.69 0.00 0.00 0.02 0.00 0.00 55.36 54.56 1x6h s GLN 27 Cb 0.07 -2.52 0.51 0.00 1.00 0.00 0.00 33.01 32.07 1x6h s GLN 27 CO 0.75 0.61 1.87 1.57 -2.12 0.00 0.00 175.29 177.97 1x6h h LYS 28 N 4.65 1.02 -0.67 2.91 5.09 -1.96 -2.38 116.57 125.24 1x6h h LYS 28 Ca -0.48 -0.06 0.12 0.00 0.09 0.00 0.00 60.65 60.32 1x6h h LYS 28 Cb 1.17 -0.23 -0.13 0.00 0.10 0.00 0.00 32.23 33.14 1x6h h LYS 28 CO 0.53 0.68 -0.28 0.37 -2.09 0.00 0.00 179.45 178.66 1x6h h GLN 29 N 1.05 -0.09 0.25 0.07 -0.00 -1.98 0.56 115.11 114.98 1x6h h GLN 29 Ca 0.46 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 59.11 1x6h h GLN 29 Cb 0.35 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 27.84 1x6h h GLN 29 CO -0.21 -0.06 -0.14 -0.07 0.00 0.00 0.00 178.83 178.34 1x6h h LEU 30 N -0.09 -0.36 -2.83 -2.39 3.38 -1.85 -1.05 115.31 110.12 1x6h h LEU 30 Ca 0.28 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1x6h h LEU 30 Cb 0.55 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1x6h h LEU 30 CO -0.72 -0.24 -0.00 0.25 0.09 0.00 0.00 178.44 177.82 1x6h h LEU 31 N -0.37 0.00 0.02 1.67 5.85 -1.10 0.30 115.31 121.68 1x6h h LEU 31 Ca -0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1x6h h LEU 31 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1x6h h LEU 31 CO 0.03 0.00 -0.01 -0.78 -0.34 0.00 0.00 178.44 177.34 1x6h h ASP 32 N 0.00 -0.02 0.53 1.25 1.82 0.11 -3.18 116.42 116.92 1x6h h ASP 32 Ca -0.00 -0.72 -0.07 0.00 -0.39 0.00 0.00 57.03 55.85 1x6h h ASP 32 Cb 0.04 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 1x6h h ASP 32 CO 0.00 0.80 -0.33 0.00 -1.61 0.00 0.00 179.24 178.10 1x6h h MET 33 N -0.93 0.00 -0.20 0.28 -0.00 -0.82 -3.05 114.93 110.21 1x6h h MET 33 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1x6h h MET 33 Cb 0.74 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.33 1x6h h MET 33 CO 0.00 0.33 0.10 1.25 -0.00 0.00 0.00 176.91 178.59 1x6h h HIS 34 N 0.00 0.28 0.61 -0.10 -0.00 -1.04 -0.38 115.15 114.51 1x6h h HIS 34 Ca -0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 1x6h h HIS 34 Cb 0.68 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.01 1x6h h HIS 34 CO 0.00 0.27 -0.31 0.35 -0.00 0.00 0.00 177.93 178.25 1x6h h PHE 35 N 0.20 -0.79 0.00 5.26 3.04 -1.51 0.23 116.94 123.36 1x6h h PHE 35 Ca 0.07 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1x6h h PHE 35 Cb 0.09 0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.87 1x6h h PHE 35 CO -0.03 -0.49 0.00 1.63 -2.02 0.00 0.00 178.31 177.40 1x6h n LYS 36 N -5.45 0.07 -0.06 1.11 5.02 -1.18 -1.34 118.16 116.32 1x6h n LYS 36 Ca -0.13 0.28 -0.05 0.00 -2.02 0.00 0.00 58.31 56.39 1x6h n LYS 36 Cb 0.35 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.84 1x6h n LYS 36 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1x6h n ARG 37 N -1.38 0.39 0.01 1.97 0.63 -0.16 -1.81 116.66 116.31 1x6h n ARG 37 Ca 0.03 0.35 -0.01 0.00 -0.92 0.00 0.00 57.85 57.30 1x6h n ARG 37 Cb 0.08 -1.40 -0.00 0.00 0.45 0.00 0.00 32.46 31.58 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 -0.80 -0.05 0.00 -0.14 -1.99 -0.55 -3.30 116.97 110.14 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 0.57 0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.31 1x6h h TYR 38 CO -0.24 -0.03 0.12 0.72 -0.00 0.00 0.00 178.16 178.73 1x6h n HIS 39 N -2.94 0.37 -3.62 4.88 8.25 -0.45 -4.14 115.22 117.58 1x6h n HIS 39 Ca -0.01 0.20 -0.21 0.00 -0.26 0.00 0.00 57.72 57.44 1x6h n HIS 39 Cb 0.02 -0.72 -0.16 0.00 1.12 0.00 0.00 29.99 30.25 1x6h n HIS 39 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1x6h s ASP 40 N -3.39 1.45 0.00 0.41 -1.08 -0.81 -4.96 116.67 108.29 1x6h s ASP 40 Ca -0.01 -0.12 0.12 0.00 -0.52 0.00 0.00 52.55 52.01 1x6h s ASP 40 Cb 0.03 0.05 0.70 0.00 -1.46 0.00 0.00 42.92 42.23 1x6h s ASP 40 CO 0.10 -0.29 1.13 -0.81 0.52 0.00 0.00 175.17 175.81 1x6h n PRO 41 N 5.30 0.49 0.18 4.34 -0.04 -1.25 -3.29 135.00 140.74 1x6h n PRO 41 Ca -0.05 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.30 1x6h n PRO 41 Cb 0.50 -1.37 -0.06 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.44 -2.94 3.54 2.35 -1.83 -3.43 115.58 112.83 1x6h h ASN 42 Ca 0.00 -0.08 -0.53 0.00 -0.55 0.00 0.00 56.30 55.13 1x6h h ASN 42 Cb 0.00 0.11 0.02 0.00 0.05 0.00 0.00 38.32 38.50 1x6h h ASN 42 CO 0.00 0.00 0.78 0.12 -1.65 0.00 0.00 177.43 176.68 1x6h s PHE 43 N -3.70 3.05 -0.06 1.19 2.19 -0.75 -5.01 117.98 114.90 1x6h s PHE 43 Ca -0.11 0.84 -0.02 0.00 0.33 0.00 0.00 56.93 57.97 1x6h s PHE 43 Cb 0.01 -3.71 0.03 0.00 -1.31 0.00 0.00 43.02 38.04 1x6h s PHE 43 CO 0.35 -2.58 0.07 0.54 1.83 0.00 0.00 175.22 175.44 1x6h s VAL 44 N 1.60 -0.12 -0.06 3.12 0.11 -1.26 -4.46 120.40 119.33 1x6h s VAL 44 Ca 0.65 0.36 -0.30 0.00 -2.93 0.00 0.00 61.98 59.77 1x6h s VAL 44 Cb -0.36 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.24 1x6h s VAL 44 CO 0.29 0.13 1.50 -2.16 -3.33 0.00 0.00 175.10 171.53 1x6h s PRO 45 N 2.18 4.22 -0.45 1.54 0.04 -1.26 -4.96 135.00 136.31 1x6h s PRO 45 Ca 0.05 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 1x6h s PRO 45 Cb -0.12 -3.81 0.01 0.00 0.04 0.00 0.00 34.50 30.62 1x6h s PRO 45 CO -0.04 -0.74 1.41 0.00 0.04 0.00 0.00 177.00 177.67 1x6h s ALA 46 N 3.41 2.98 -0.30 8.56 0.00 -1.26 -4.98 121.76 130.18 1x6h s ALA 46 Ca 0.67 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.36 1x6h s ALA 46 Cb -0.30 -3.98 0.08 0.00 0.00 0.00 0.00 23.12 18.91 1x6h s ALA 46 CO 0.25 -2.54 -0.03 0.00 0.00 0.00 0.00 175.76 173.45 1x6h s ALA 47 N 5.59 2.72 -0.31 0.00 0.00 -1.26 -4.34 121.76 124.15 1x6h s ALA 47 Ca 0.59 -2.13 0.02 0.00 0.00 0.00 0.00 51.96 50.43 1x6h s ALA 47 Cb -0.13 -1.77 0.09 0.00 0.00 0.00 0.00 23.12 21.32 1x6h s ALA 47 CO 0.31 -1.44 0.04 -0.06 0.00 0.00 0.00 175.76 174.62 1x6h s PHE 48 N 1.01 2.89 -0.11 0.00 0.40 -0.22 -5.01 117.98 116.94 1x6h s PHE 48 Ca 0.01 -2.39 -0.14 0.00 -0.60 0.00 0.00 56.93 53.80 1x6h s PHE 48 Cb -0.20 -2.30 -0.05 0.00 0.51 0.00 0.00 43.02 40.98 1x6h s PHE 48 CO -0.07 -0.90 0.34 0.08 0.70 0.00 0.00 175.22 175.38 1x6h s VAL 49 N 1.21 5.23 1.09 -0.44 1.01 -1.26 -0.35 120.40 126.88 1x6h s VAL 49 Ca 0.07 0.67 -0.16 0.00 0.00 0.00 0.00 61.98 62.56 1x6h s VAL 49 Cb -0.18 -3.67 0.17 0.00 0.00 0.00 0.00 36.38 32.69 1x6h s VAL 49 CO -0.13 0.45 0.25 0.00 0.00 0.00 0.00 175.10 175.66 1x6h n SER 51 N -1.76 1.24 -0.00 0.00 2.88 -1.26 -4.27 113.62 110.45 1x6h n SER 51 Ca 0.05 -0.21 -0.22 0.00 -1.33 0.00 0.00 58.87 57.16 1x6h n SER 51 Cb 0.47 0.67 -0.14 0.00 -0.75 0.00 0.00 64.21 64.46 1x6h n SER 51 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1x6h h LYS 52 N 0.00 0.24 0.00 -1.46 1.57 -1.95 -3.44 116.57 111.54 1x6h h LYS 52 Ca 0.00 -0.41 -0.08 0.00 -1.87 0.00 0.00 60.65 58.28 1x6h h LYS 52 Cb 0.00 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1x6h h LYS 52 CO 0.00 1.20 -1.28 0.00 -0.57 0.00 0.00 179.45 178.80 1x6h n GLY 54 N 2.73 1.97 3.65 0.00 0.00 -1.26 -4.64 105.19 107.63 1x6h n GLY 54 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.01 -0.51 -0.00 1.61 1.02 -1.26 -4.60 119.74 115.99 1x6h s LYS 55 Ca 0.00 0.10 0.03 0.00 0.02 0.00 0.00 55.97 56.12 1x6h s LYS 55 Cb 0.00 -1.66 -0.03 0.00 -0.52 0.00 0.00 37.83 35.61 1x6h s LYS 55 CO 0.00 -3.27 -0.07 0.95 -0.92 0.00 0.00 175.35 172.04 1x6h s THR 56 N -3.06 3.62 -0.16 2.17 -4.23 -1.26 -0.95 115.64 111.77 1x6h s THR 56 Ca 0.69 -0.76 -0.05 0.00 -1.18 0.00 0.00 61.69 60.39 1x6h s THR 56 Cb -0.12 -2.57 0.08 0.00 1.34 0.00 0.00 72.50 71.23 1x6h s THR 56 CO 0.56 0.41 0.31 -0.36 -0.54 0.00 0.00 174.62 175.00 1x6h s PHE 57 N -0.98 -0.55 -0.85 3.99 0.40 0.52 -4.93 117.98 115.58 1x6h s PHE 57 Ca 0.17 1.06 0.02 0.00 -0.60 0.00 0.00 56.93 57.58 1x6h s PHE 57 Cb -0.11 0.04 0.13 0.00 0.51 0.00 0.00 43.02 43.59 1x6h s PHE 57 CO 0.07 -0.44 0.72 -2.37 0.70 0.00 0.00 175.22 173.90 1x6h n THR 58 N 5.36 0.48 -3.47 0.64 5.66 -1.26 -1.06 114.28 120.63 1x6h n THR 58 Ca -0.06 -0.23 -0.05 0.00 -3.05 0.00 0.00 64.05 60.65 1x6h n THR 58 Cb 0.50 -0.48 -0.07 0.00 -1.55 0.00 0.00 70.33 68.73 1x6h n THR 58 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x6h s ARG 59 N -1.26 0.41 0.07 1.09 3.03 -1.26 -4.81 118.95 116.22 1x6h s ARG 59 Ca 0.09 0.93 -0.30 0.00 2.03 0.00 0.00 55.73 58.48 1x6h s ARG 59 Cb 0.07 0.20 -0.14 0.00 -1.03 0.00 0.00 34.95 34.04 1x6h s ARG 59 CO 0.03 -0.43 1.47 -0.09 -1.13 0.00 0.00 175.30 175.14 1x6h h ARG 60 N 8.12 -0.81 -0.53 3.89 2.43 -1.94 -1.52 114.38 124.02 1x6h h ARG 60 Ca -0.18 0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1x6h h ARG 60 Cb 1.13 0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 30.80 1x6h h ARG 60 CO 0.19 -0.54 -0.31 -1.71 -1.51 0.00 0.00 179.97 176.09 1x6h n ASN 61 N -5.01 -0.56 0.27 -3.80 5.15 -1.26 -0.06 115.26 109.99 1x6h n ASN 61 Ca -0.10 1.11 -0.17 0.00 -0.60 0.00 0.00 54.58 54.82 1x6h n ASN 61 Cb 0.39 -0.21 -0.10 0.00 -0.53 0.00 0.00 39.78 39.34 1x6h n ASN 61 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1x6h h THR 62 N 0.00 0.00 -0.67 -0.44 2.02 -1.97 -2.69 112.91 109.16 1x6h h THR 62 Ca 0.08 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.33 1x6h h THR 62 Cb 0.22 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.53 1x6h h THR 62 CO -0.49 0.00 -0.56 -0.03 0.37 0.00 0.00 175.52 174.80 1x6h h MET 63 N -0.96 -0.21 -0.94 6.66 1.85 0.12 0.14 114.93 121.59 1x6h h MET 63 Ca -0.06 0.01 0.22 0.00 -0.61 0.00 0.00 59.70 59.26 1x6h h MET 63 Cb 0.84 0.05 -0.17 0.00 0.43 0.00 0.00 31.60 32.74 1x6h h MET 63 CO -0.08 -0.14 -0.11 0.00 -0.40 0.00 0.00 176.91 176.18 1x6h h ALA 64 N 0.25 0.84 -0.31 0.39 0.00 -0.34 0.37 119.26 120.46 1x6h h ALA 64 Ca 0.12 0.34 -0.03 0.00 0.00 0.00 0.00 54.91 55.34 1x6h h ALA 64 Cb 0.52 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1x6h h ALA 64 CO -0.75 -0.46 0.08 0.00 0.00 0.00 0.00 179.25 178.12 1x6h h ARG 65 N 0.02 0.50 -0.36 0.00 3.08 -0.49 -3.10 114.38 114.03 1x6h h ARG 65 Ca 0.50 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 60.51 1x6h h ARG 65 Cb 0.89 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.79 1x6h h ARG 65 CO -0.92 0.56 -0.17 1.25 -1.07 0.00 0.00 179.97 179.63 1x6h h HIS 66 N 0.34 -0.43 -0.80 3.04 2.76 0.16 -1.29 115.15 118.93 1x6h h HIS 66 Ca 0.10 0.04 0.19 0.00 -2.20 0.00 0.00 60.37 58.50 1x6h h HIS 66 Cb 0.29 0.24 -0.14 0.00 1.55 0.00 0.00 27.41 29.36 1x6h h HIS 66 CO 0.01 -0.25 0.08 0.00 -1.30 0.00 0.00 177.93 176.47 1x6h h ALA 67 N 1.15 0.94 -0.20 5.26 0.00 -1.12 1.37 119.26 126.66 1x6h h ALA 67 Ca 0.18 0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.38 1x6h h ALA 67 Cb 0.39 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1x6h h ALA 67 CO -0.43 -0.43 -0.13 -0.44 0.00 0.00 0.00 179.25 177.81 1x6h h ASP 68 N 0.14 -0.43 0.05 0.00 3.32 -1.24 -0.41 116.42 117.84 1x6h h ASP 68 Ca 0.46 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.60 1x6h h ASP 68 Cb 0.85 0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1x6h h ASP 68 CO -0.67 -0.17 -0.02 -0.46 -1.72 0.00 0.00 179.24 176.20 1x6h n ASN 69 N -5.29 0.79 -4.75 6.45 0.23 0.01 -4.86 115.26 107.84 1x6h n ASN 69 Ca -0.02 -1.17 -0.40 0.00 -0.53 0.00 0.00 54.58 52.46 1x6h n ASN 69 Cb 0.21 -0.01 -0.06 0.00 -2.08 0.00 0.00 39.78 37.84 1x6h n ASN 69 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x6h n ALA 71 N 1.64 1.54 0.00 0.00 0.00 -1.26 -4.93 120.51 117.50 1x6h n ALA 71 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1x6h n ALA 71 Cb 0.47 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 1.93 -1.63 3.73 0.00 0.00 -1.26 -4.93 105.19 103.01 1x6h n GLY 72 Ca -0.42 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 1x6h n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6h s PRO 73 N -1.55 4.36 -0.02 1.61 0.04 -1.25 -4.63 135.00 133.56 1x6h s PRO 73 Ca 0.00 2.04 -0.21 0.00 0.04 0.00 0.00 61.00 62.87 1x6h s PRO 73 Cb 0.00 -3.23 -0.13 0.00 0.04 0.00 0.00 34.50 31.18 1x6h s PRO 73 CO 0.00 -0.33 0.92 0.38 0.04 0.00 0.00 177.00 178.01 1x6h h ASP 74 N 6.09 -0.46 0.00 6.66 2.03 -1.97 -3.50 116.42 125.28 1x6h h ASP 74 Ca -0.43 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 55.77 1x6h h ASP 74 Cb 1.21 0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.83 1x6h h ASP 74 CO 0.81 -0.03 0.00 0.61 -1.03 0.00 0.00 179.24 179.61 1x6h n GLY 75 N 0.05 0.67 1.62 7.15 0.00 -1.26 -5.10 105.19 108.32 1x6h n GLY 75 Ca -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1x6h n GLY 75 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x6h n VAL 76 N 0.00 0.31 -1.69 1.61 0.31 -1.26 -5.05 118.33 112.55 1x6h n VAL 76 Ca 0.00 0.10 -0.53 0.00 -0.01 0.00 0.00 64.34 63.90 1x6h n VAL 76 Cb 0.00 -0.92 -0.06 0.00 -0.91 0.00 0.00 33.84 31.95 1x6h n VAL 76 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1x6h n GLU 77 N -3.20 1.64 0.00 5.55 1.02 -1.26 -4.94 120.64 119.45 1x6h n GLU 77 Ca 0.00 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1x6h n GLU 77 Cb 0.07 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.13 1x6h n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x6h n GLY 78 N 4.22 -0.69 3.25 0.62 0.00 -1.26 -5.00 105.19 106.33 1x6h n GLY 78 Ca 0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 1x6h n GLY 78 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x6h s GLU 79 N 0.00 1.06 -0.01 1.61 4.04 -1.26 -5.15 118.70 118.99 1x6h s GLU 79 Ca 0.00 -1.25 0.06 0.00 0.04 0.00 0.00 54.97 53.82 1x6h s GLU 79 Cb 0.00 -0.97 -0.03 0.00 0.02 0.00 0.00 34.13 33.15 1x6h s GLU 79 CO 0.00 0.19 -0.20 1.21 -1.84 0.00 0.00 175.26 174.62 1x6h s ASN 80 N -2.45 3.58 0.56 0.83 2.47 -1.26 -5.12 114.94 113.55 1x6h s ASN 80 Ca 0.10 -0.38 -0.19 0.00 0.42 0.00 0.00 52.86 52.80 1x6h s ASN 80 Cb -0.05 -0.57 -0.05 0.00 -1.45 0.00 0.00 41.25 39.12 1x6h s ASN 80 CO 0.03 0.30 1.13 -0.94 -3.72 0.00 0.00 177.10 173.91 1x6h s SER 81 N -0.95 5.65 0.00 -4.21 1.04 -1.26 -5.04 113.70 108.93 1x6h s SER 81 Ca 0.12 2.16 0.00 0.00 0.48 0.00 0.00 55.95 58.71 1x6h s SER 81 Cb -0.10 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1x6h s SER 81 CO 0.02 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.58 1x6h n GLY 82 N 0.09 1.62 0.07 7.32 0.00 -1.26 -5.06 105.19 107.98 1x6h n GLY 82 Ca 0.12 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.05 -4.35 1.61 0.13 -2.09 -3.40 132.00 123.85 1x6h h PRO 83 Ca 0.00 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.42 1x6h h PRO 83 Cb 0.00 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 30.84 1x6h h PRO 83 CO 0.00 0.43 -0.43 0.45 -0.23 0.00 0.00 178.00 178.21 1x6h s SER 84 N -5.63 5.60 0.13 1.44 0.15 -1.26 -4.97 113.70 109.16 1x6h s SER 84 Ca -0.16 -1.91 -0.24 0.00 0.70 0.00 0.00 55.95 54.34 1x6h s SER 84 Cb 0.02 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.32 1x6h s SER 84 CO 0.65 -0.65 1.66 -1.28 1.20 0.00 0.00 173.24 174.82 1x6h h SER 85 N 8.36 -0.56 0.00 5.45 0.87 -2.01 -3.55 113.55 122.11 1x6h h SER 85 Ca -0.19 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1x6h h SER 85 Cb 1.07 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1x6h h SER 85 CO 0.82 -0.25 0.00 0.61 -0.53 0.00 0.00 176.83 177.48