#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 1.74 -0.10 1.61 0.01 -1.26 -5.15 113.70 110.55 1x6h s SER 2 Ca 0.00 -0.84 -0.05 0.00 1.31 0.00 0.00 55.95 56.37 1x6h s SER 2 Cb 0.00 -0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.25 1x6h s SER 2 CO 0.00 -0.22 0.23 -0.44 0.41 0.00 0.00 173.24 173.22 1x6h s SER 3 N -2.56 -0.24 -0.01 2.44 0.01 -1.26 -5.16 113.70 106.92 1x6h s SER 3 Ca 0.09 0.49 0.05 0.00 1.31 0.00 0.00 55.95 57.89 1x6h s SER 3 Cb -0.03 0.39 -0.01 0.00 0.21 0.00 0.00 66.02 66.58 1x6h s SER 3 CO 0.01 -0.16 -0.17 -0.83 0.41 0.00 0.00 173.24 172.51 1x6h s GLY 4 N 1.14 0.82 -0.22 3.44 0.00 -1.26 -5.12 107.32 106.12 1x6h s GLY 4 Ca -0.08 -0.74 -0.00 0.00 0.00 0.00 0.00 44.72 43.90 1x6h s GLY 4 CO -0.07 -0.62 -0.03 -0.56 0.00 0.00 0.00 173.10 171.81 1x6h s SER 5 N -0.47 3.58 0.10 1.64 0.01 -1.26 -5.01 113.70 112.29 1x6h s SER 5 Ca 0.06 -1.07 -0.22 0.00 1.31 0.00 0.00 55.95 56.03 1x6h s SER 5 Cb -0.07 -1.02 -0.11 0.00 0.21 0.00 0.00 66.02 65.03 1x6h s SER 5 CO -0.00 -0.25 1.75 -1.28 0.41 0.00 0.00 173.24 173.86 1x6h h SER 6 N 8.03 0.05 0.00 2.44 0.87 -2.08 -3.47 113.55 119.38 1x6h h SER 6 Ca -0.18 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1x6h h SER 6 Cb 1.08 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1x6h h SER 6 CO 0.39 0.04 0.00 0.61 -0.53 0.00 0.00 176.83 177.35 1x6h n GLY 7 N -1.12 1.31 2.89 5.77 0.00 -1.26 -4.79 105.19 107.99 1x6h n GLY 7 Ca -0.05 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 1x6h n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x6h s ARG 8 N 0.00 1.06 -0.03 1.61 3.03 -1.26 -5.11 118.95 118.24 1x6h s ARG 8 Ca 0.00 -0.14 -0.30 0.00 2.03 0.00 0.00 55.73 57.32 1x6h s ARG 8 Cb 0.00 -1.11 -0.05 0.00 -1.03 0.00 0.00 34.95 32.76 1x6h s ARG 8 CO 0.00 -0.15 1.44 0.95 -1.13 0.00 0.00 175.30 176.41 1x6h s THR 9 N 1.27 3.75 -0.38 4.99 -4.23 -1.26 -4.90 115.64 114.88 1x6h s THR 9 Ca -0.05 1.06 -0.01 0.00 -1.18 0.00 0.00 61.69 61.52 1x6h s THR 9 Cb -0.14 -3.69 0.30 0.00 1.34 0.00 0.00 72.50 70.31 1x6h s THR 9 CO -0.02 -0.03 1.94 1.41 -0.54 0.00 0.00 174.62 177.37 1x6h n HIS 10 N 5.89 1.93 -3.29 3.99 8.25 -1.26 -4.93 115.22 125.80 1x6h n HIS 10 Ca 0.14 -2.06 -0.38 0.00 -0.26 0.00 0.00 57.72 55.16 1x6h n HIS 10 Cb 0.44 -1.00 -0.06 0.00 1.12 0.00 0.00 29.99 30.49 1x6h n HIS 10 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1x6h s THR 11 N -2.74 5.00 0.00 1.59 2.01 -1.26 -5.04 115.64 115.20 1x6h s THR 11 Ca 0.38 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.47 1x6h s THR 11 Cb 0.30 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.96 1x6h s THR 11 CO 0.01 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 1x6h n GLY 12 N 2.53 1.15 3.85 4.40 0.00 -1.26 -5.16 105.19 110.69 1x6h n GLY 12 Ca -0.08 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.00 3.25 -0.52 1.61 8.01 -1.26 -4.98 118.70 122.81 1x6h s GLU 13 Ca 0.00 0.83 -0.04 0.00 0.01 0.00 0.00 54.97 55.77 1x6h s GLU 13 Cb 0.00 -2.03 0.14 0.00 -4.31 0.00 0.00 34.13 27.92 1x6h s GLU 13 CO 0.00 -0.84 0.35 0.15 0.01 0.00 0.00 175.26 174.92 1x6h s LYS 14 N -5.12 2.37 0.30 1.61 1.02 -1.26 -4.59 119.74 114.07 1x6h s LYS 14 Ca 0.57 -2.12 0.09 0.00 0.02 0.00 0.00 55.97 54.53 1x6h s LYS 14 Cb -0.12 -3.74 0.48 0.00 -0.52 0.00 0.00 37.83 33.93 1x6h s LYS 14 CO 0.54 -1.14 1.70 -1.00 -0.92 0.00 0.00 175.35 174.53 1x6h h PRO 15 N 7.71 0.11 -6.26 -1.68 0.13 -1.81 -3.40 132.00 126.80 1x6h h PRO 15 Ca -0.09 -0.06 -0.53 0.00 -0.87 0.00 0.00 66.00 64.46 1x6h h PRO 15 Cb 1.01 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.08 1x6h h PRO 15 CO 0.74 0.56 1.16 0.71 -0.23 0.00 0.00 178.00 180.93 1x6h s TYR 16 N -3.97 2.10 -0.29 1.56 1.51 -0.97 -4.86 117.35 112.42 1x6h s TYR 16 Ca -0.03 0.31 -0.08 0.00 -1.01 0.00 0.00 57.07 56.26 1x6h s TYR 16 Cb 0.13 -4.42 -0.00 0.00 -0.11 0.00 0.00 41.96 37.56 1x6h s TYR 16 CO 0.76 -2.13 0.10 0.00 -1.11 0.00 0.00 175.55 173.18 1x6h s ALA 17 N 6.79 3.16 0.53 3.71 0.00 -1.26 -0.23 121.76 134.46 1x6h s ALA 17 Ca 0.48 -1.36 -0.20 0.00 0.00 0.00 0.00 51.96 50.88 1x6h s ALA 17 Cb -0.10 -2.22 -0.07 0.00 0.00 0.00 0.00 23.12 20.73 1x6h s ALA 17 CO 0.19 -0.82 0.92 0.00 0.00 0.00 0.00 175.76 176.04 1x6h h SER 19 N 0.82 0.00 -0.56 0.00 4.64 -1.98 -3.38 113.55 113.10 1x6h h SER 19 Ca -0.47 -0.62 0.05 0.00 -0.47 0.00 0.00 61.79 60.29 1x6h h SER 19 Cb 1.36 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.40 1x6h h SER 19 CO 0.52 1.26 0.28 0.45 -0.87 0.00 0.00 176.83 178.47 1x6h h HIS 20 N -1.00 0.51 -0.53 4.77 3.86 -1.99 -3.44 115.15 117.32 1x6h h HIS 20 Ca -0.21 0.02 -0.64 0.00 -1.16 0.00 0.00 60.37 58.38 1x6h h HIS 20 Cb 1.12 -0.15 -0.10 0.00 1.06 0.00 0.00 27.41 29.34 1x6h h HIS 20 CO 0.13 0.23 -0.45 0.00 0.86 0.00 0.00 177.93 178.71 1x6h n ASP 22 N -1.41 5.01 -4.91 0.00 -0.08 -1.26 -4.32 116.55 109.58 1x6h n ASP 22 Ca -0.12 -3.66 -0.27 0.00 -1.51 0.00 0.00 54.79 49.22 1x6h n ASP 22 Cb 0.66 -0.88 -0.01 0.00 2.34 0.00 0.00 41.12 43.22 1x6h n ASP 22 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1x6h s LYS 23 N -3.46 3.57 0.05 -0.67 -0.14 -1.26 -4.92 119.74 112.91 1x6h s LYS 23 Ca 0.59 0.10 0.02 0.00 -1.36 0.00 0.00 55.97 55.33 1x6h s LYS 23 Cb 0.49 -2.47 -0.03 0.00 -1.68 0.00 0.00 37.83 34.14 1x6h s LYS 23 CO 0.07 -0.06 -0.08 0.95 -0.76 0.00 0.00 175.35 175.47 1x6h s THR 24 N -2.52 0.61 0.04 2.17 -4.23 -1.26 -0.75 115.64 109.70 1x6h s THR 24 Ca 0.46 -1.16 -0.06 0.00 -1.18 0.00 0.00 61.69 59.74 1x6h s THR 24 Cb -0.10 -0.73 -0.01 0.00 1.34 0.00 0.00 72.50 73.00 1x6h s THR 24 CO 0.39 -0.40 0.12 -0.36 -0.54 0.00 0.00 174.62 173.83 1x6h s PHE 25 N -1.53 0.16 -0.06 3.99 0.40 0.68 -4.98 117.98 116.64 1x6h s PHE 25 Ca -0.08 -0.44 -0.16 0.00 -0.60 0.00 0.00 56.93 55.66 1x6h s PHE 25 Cb -0.09 -0.11 -0.11 0.00 0.51 0.00 0.00 43.02 43.22 1x6h s PHE 25 CO 0.00 -0.38 0.61 0.07 0.70 0.00 0.00 175.22 176.22 1x6h h ARG 26 N 3.62 -0.24 -5.75 0.44 0.11 -1.86 -2.56 114.38 108.14 1x6h h ARG 26 Ca -0.32 0.02 -0.66 0.00 0.10 0.00 0.00 59.98 59.11 1x6h h ARG 26 Cb 1.19 0.05 -0.08 0.00 1.11 0.00 0.00 29.97 32.24 1x6h h ARG 26 CO 0.50 0.08 -0.51 -0.65 0.10 0.00 0.00 179.97 179.48 1x6h s GLN 27 N -2.89 3.34 0.43 0.08 -1.52 -1.26 -4.59 119.66 113.25 1x6h s GLN 27 Ca -0.09 -0.24 0.18 0.00 -1.95 0.00 0.00 55.36 53.26 1x6h s GLN 27 Cb 0.00 -3.09 1.10 0.00 -0.22 0.00 0.00 33.01 30.80 1x6h s GLN 27 CO 0.32 0.74 1.88 -0.22 -0.25 0.00 0.00 175.29 177.76 1x6h h LYS 28 N 4.69 0.37 -0.71 2.91 1.63 -1.98 -0.83 116.57 122.66 1x6h h LYS 28 Ca -0.53 -0.02 0.13 0.00 -0.85 0.00 0.00 60.65 59.38 1x6h h LYS 28 Cb 1.21 -0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 32.66 1x6h h LYS 28 CO 0.60 0.25 0.24 0.37 -3.45 0.00 0.00 179.45 177.46 1x6h h GLN 29 N 0.38 0.37 -0.21 1.90 4.15 -1.98 0.50 115.11 120.22 1x6h h GLN 29 Ca 0.43 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.81 1x6h h GLN 29 Cb 1.07 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 1x6h h GLN 29 CO -0.14 0.24 0.07 -0.07 -1.93 0.00 0.00 178.83 177.00 1x6h h LEU 30 N 0.38 0.30 -0.79 -2.39 -0.00 -1.56 -0.95 115.31 110.29 1x6h h LEU 30 Ca 0.38 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 1x6h h LEU 30 Cb 0.58 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1x6h h LEU 30 CO -0.41 0.41 0.00 0.25 -0.00 0.00 0.00 178.44 178.69 1x6h h LEU 31 N 0.18 0.00 0.10 1.67 5.85 -1.22 -0.21 115.31 121.68 1x6h h LEU 31 Ca 0.07 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.58 1x6h h LEU 31 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1x6h h LEU 31 CO -0.00 0.00 -1.03 -0.78 -0.34 0.00 0.00 178.44 176.28 1x6h h ASP 32 N 0.00 0.33 1.08 1.25 1.82 0.56 -3.25 116.42 118.22 1x6h h ASP 32 Ca 0.00 -0.87 -0.15 0.00 -0.39 0.00 0.00 57.03 55.61 1x6h h ASP 32 Cb 0.40 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.28 1x6h h ASP 32 CO 0.00 1.46 -0.72 0.00 -1.61 0.00 0.00 179.24 178.37 1x6h h MET 33 N -0.47 0.00 -0.44 0.28 -0.00 -1.08 -3.24 114.93 109.98 1x6h h MET 33 Ca -0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.46 1x6h h MET 33 Cb 1.59 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.17 1x6h h MET 33 CO 0.06 0.72 0.17 1.25 -0.00 0.00 0.00 176.91 179.12 1x6h h HIS 34 N 0.00 0.68 0.00 -0.10 -0.00 -1.17 0.36 115.15 114.92 1x6h h HIS 34 Ca -0.01 -0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.31 1x6h h HIS 34 Cb 1.46 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.66 1x6h h HIS 34 CO 0.00 0.59 -0.00 0.35 -0.00 0.00 0.00 177.93 178.87 1x6h h PHE 35 N 0.58 -0.00 0.00 5.26 3.04 -1.61 0.41 116.94 124.61 1x6h h PHE 35 Ca 0.15 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1x6h h PHE 35 Cb 0.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.71 1x6h h PHE 35 CO 0.00 0.05 0.00 1.63 -2.02 0.00 0.00 178.31 177.97 1x6h n LYS 36 N -5.07 0.35 -0.06 1.11 5.02 -1.17 -2.28 118.16 116.07 1x6h n LYS 36 Ca -0.07 0.07 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1x6h n LYS 36 Cb 0.05 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.54 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 -1.26 0.35 0.06 1.97 0.63 0.11 -2.15 116.66 116.37 1x6h n ARG 37 Ca 0.11 0.19 -0.03 0.00 -0.92 0.00 0.00 57.85 57.21 1x6h n ARG 37 Cb 0.16 -1.18 -0.01 0.00 0.45 0.00 0.00 32.46 31.88 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 -0.68 -0.15 0.00 -0.14 -1.99 -0.33 -3.07 116.97 110.61 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 0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.40 1x6h h TYR 38 CO -0.27 -0.10 0.10 0.72 -0.00 0.00 0.00 178.16 178.62 1x6h n HIS 39 N -2.75 0.21 -3.43 4.88 8.25 -0.97 -4.12 115.22 117.30 1x6h n HIS 39 Ca -0.02 0.11 -0.11 0.00 -0.26 0.00 0.00 57.72 57.44 1x6h n HIS 39 Cb 0.07 -0.59 -0.09 0.00 1.12 0.00 0.00 29.99 30.49 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 -3.15 0.37 0.00 0.41 -1.08 -1.16 -4.99 116.67 107.07 1x6h s ASP 40 Ca -0.01 0.27 0.06 0.00 -0.52 0.00 0.00 52.55 52.35 1x6h s ASP 40 Cb 0.02 1.00 0.38 0.00 -1.46 0.00 0.00 42.92 42.86 1x6h s ASP 40 CO 0.06 -0.29 0.84 -0.81 0.52 0.00 0.00 175.17 175.48 1x6h n PRO 41 N 5.36 0.49 0.12 4.34 -0.04 -1.17 -3.04 135.00 141.07 1x6h n PRO 41 Ca -0.05 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.35 1x6h n PRO 41 Cb 0.50 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.33 -3.64 3.54 -0.26 -1.81 -3.45 115.58 109.63 1x6h h ASN 42 Ca 0.00 0.01 -0.51 0.00 -0.56 0.00 0.00 56.30 55.24 1x6h h ASN 42 Cb 0.00 0.08 0.01 0.00 -1.06 0.00 0.00 38.32 37.36 1x6h h ASN 42 CO 0.00 0.07 0.50 0.12 -1.06 0.00 0.00 177.43 177.06 1x6h s PHE 43 N -2.82 3.54 -0.28 1.19 2.19 -0.91 -5.03 117.98 115.86 1x6h s PHE 43 Ca -0.06 1.59 -0.00 0.00 0.33 0.00 0.00 56.93 58.79 1x6h s PHE 43 Cb 0.01 -3.32 0.17 0.00 -1.31 0.00 0.00 43.02 38.56 1x6h s PHE 43 CO 0.17 -0.75 0.49 0.54 1.83 0.00 0.00 175.22 177.50 1x6h s VAL 44 N -0.57 -0.81 0.59 3.12 0.11 -1.26 -4.15 120.40 117.43 1x6h s VAL 44 Ca 0.48 -0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 59.29 1x6h s VAL 44 Cb -0.31 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.57 1x6h s VAL 44 CO 0.38 -0.08 1.12 -2.16 -3.33 0.00 0.00 175.10 171.03 1x6h s PRO 45 N 2.70 3.12 -0.45 1.54 0.04 -1.26 -4.95 135.00 135.74 1x6h s PRO 45 Ca 0.15 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 62.42 1x6h s PRO 45 Cb -0.14 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1x6h s PRO 45 CO -0.21 -1.02 1.49 0.00 0.04 0.00 0.00 177.00 177.30 1x6h s ALA 46 N -2.02 2.92 -0.28 8.56 0.00 -1.26 -4.97 121.76 124.71 1x6h s ALA 46 Ca 0.70 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.44 1x6h s ALA 46 Cb -0.22 -4.01 0.07 0.00 0.00 0.00 0.00 23.12 18.96 1x6h s ALA 46 CO 0.33 -2.63 -0.07 0.00 0.00 0.00 0.00 175.76 173.39 1x6h s ALA 47 N 5.96 2.65 -0.25 0.00 0.00 -1.26 -4.28 121.76 124.58 1x6h s ALA 47 Ca 0.62 -1.93 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 1x6h s ALA 47 Cb -0.14 -1.68 0.04 0.00 0.00 0.00 0.00 23.12 21.33 1x6h s ALA 47 CO 0.30 -1.30 -0.07 -0.06 0.00 0.00 0.00 175.76 174.63 1x6h s PHE 48 N 1.07 3.12 0.06 0.00 0.40 -0.80 -4.96 117.98 116.86 1x6h s PHE 48 Ca -0.05 -1.76 -0.10 0.00 -0.60 0.00 0.00 56.93 54.42 1x6h s PHE 48 Cb -0.20 -2.03 -0.06 0.00 0.51 0.00 0.00 43.02 41.24 1x6h s PHE 48 CO -0.05 -0.78 0.39 0.08 0.70 0.00 0.00 175.22 175.56 1x6h s VAL 49 N 1.27 5.10 0.23 -0.44 1.01 -1.26 -0.92 120.40 125.39 1x6h s VAL 49 Ca -0.02 0.50 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 1x6h s VAL 49 Cb -0.18 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 1x6h s VAL 49 CO -0.05 0.35 1.12 0.00 0.00 0.00 0.00 175.10 176.52 1x6h n SER 51 N 1.76 1.35 -0.08 0.00 7.64 -1.26 -2.29 113.62 120.74 1x6h n SER 51 Ca 0.01 -1.25 -0.07 0.00 1.01 0.00 0.00 58.87 58.57 1x6h n SER 51 Cb 0.45 0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 1x6h n SER 51 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1x6h n LYS 52 N -0.15 0.49 -0.13 1.43 5.02 -1.26 -4.80 118.16 118.76 1x6h n LYS 52 Ca 0.16 0.40 -0.19 0.00 -2.02 0.00 0.00 58.31 56.65 1x6h n LYS 52 Cb 0.36 -1.59 -0.11 0.00 -0.02 0.00 0.00 35.03 33.67 1x6h n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x6h n GLY 54 N 2.14 1.43 3.88 0.00 0.00 -0.97 -4.28 105.19 107.39 1x6h n GLY 54 Ca -0.46 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 1x6h n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x6h s LYS 55 N -0.26 3.77 -0.11 1.61 2.20 -1.26 -4.71 119.74 120.98 1x6h s LYS 55 Ca 0.00 0.19 -0.16 0.00 -0.36 0.00 0.00 55.97 55.64 1x6h s LYS 55 Cb 0.00 -2.77 -0.05 0.00 -1.51 0.00 0.00 37.83 33.50 1x6h s LYS 55 CO 0.00 0.40 0.41 0.95 -0.36 0.00 0.00 175.35 176.76 1x6h s THR 56 N -1.68 5.19 0.16 3.43 -4.23 -1.26 -0.19 115.64 117.06 1x6h s THR 56 Ca 0.43 0.82 0.10 0.00 -1.18 0.00 0.00 61.69 61.86 1x6h s THR 56 Cb -0.12 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 1x6h s THR 56 CO 0.21 0.39 -0.22 -0.36 -0.54 0.00 0.00 174.62 174.10 1x6h s PHE 57 N 0.27 2.09 0.03 3.99 0.40 -0.10 -4.99 117.98 119.67 1x6h s PHE 57 Ca 0.23 -0.40 0.10 0.00 -0.60 0.00 0.00 56.93 56.26 1x6h s PHE 57 Cb -0.15 -1.06 -0.20 0.00 0.51 0.00 0.00 43.02 42.12 1x6h s PHE 57 CO 0.09 0.39 1.05 0.00 0.70 0.00 0.00 175.22 177.44 1x6h h THR 58 N 3.44 1.29 -3.30 0.64 1.03 -1.85 -2.13 112.91 112.03 1x6h h THR 58 Ca -0.46 -3.01 -0.58 0.00 -0.01 0.00 0.00 66.41 62.35 1x6h h THR 58 Cb 1.20 2.62 -0.18 0.00 -1.07 0.00 0.00 68.15 70.72 1x6h h THR 58 CO 0.46 0.73 -0.80 -0.60 -0.01 0.00 0.00 175.52 175.30 1x6h s ARG 59 N -2.70 1.36 -0.00 0.00 3.52 -1.26 -4.43 118.95 115.44 1x6h s ARG 59 Ca -0.01 -1.44 -0.01 0.00 -0.13 0.00 0.00 55.73 54.14 1x6h s ARG 59 Cb 0.09 -1.54 -0.01 0.00 -1.56 0.00 0.00 34.95 31.93 1x6h s ARG 59 CO 0.82 0.33 0.40 -0.09 -0.81 0.00 0.00 175.30 175.94 1x6h h ARG 60 N 3.29 -0.04 -0.88 5.12 1.12 -1.90 -3.06 114.38 118.03 1x6h h ARG 60 Ca -0.44 0.00 0.15 0.00 -1.11 0.00 0.00 59.98 58.58 1x6h h ARG 60 Cb 1.21 0.01 -0.15 0.00 -0.01 0.00 0.00 29.97 31.02 1x6h h ARG 60 CO 0.49 -0.03 -0.30 -1.71 -3.11 0.00 0.00 179.97 175.31 1x6h n ASN 61 N -2.25 -0.47 -0.27 -3.80 2.85 -1.26 0.14 115.26 110.19 1x6h n ASN 61 Ca -0.01 1.53 0.06 0.00 -0.11 0.00 0.00 54.58 56.06 1x6h n ASN 61 Cb 0.02 -0.39 0.20 0.00 1.24 0.00 0.00 39.78 40.85 1x6h n ASN 61 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1x6h h THR 62 N 0.00 0.64 0.12 -0.44 2.02 -2.01 -0.96 112.91 112.28 1x6h h THR 62 Ca 0.35 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 1x6h h THR 62 Cb 0.57 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1x6h h THR 62 CO -0.89 0.08 -0.06 -0.03 0.37 0.00 0.00 175.52 175.00 1x6h h MET 63 N 0.45 -0.15 -0.68 6.66 1.85 0.13 -2.67 114.93 120.52 1x6h h MET 63 Ca 0.44 0.01 0.13 0.00 -0.61 0.00 0.00 59.70 59.67 1x6h h MET 63 Cb 0.68 0.04 -0.13 0.00 0.43 0.00 0.00 31.60 32.62 1x6h h MET 63 CO -0.42 0.27 -0.20 0.00 -0.40 0.00 0.00 176.91 176.16 1x6h h ALA 64 N 0.13 0.37 -0.60 0.39 0.00 -0.22 0.12 119.26 119.45 1x6h h ALA 64 Ca -0.02 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1x6h h ALA 64 Cb 0.49 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1x6h h ALA 64 CO 0.03 -0.46 0.39 0.00 0.00 0.00 0.00 179.25 179.20 1x6h h ARG 65 N -0.03 0.80 -0.29 0.00 3.08 -1.24 -2.79 114.38 113.91 1x6h h ARG 65 Ca 0.32 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.35 1x6h h ARG 65 Cb 0.52 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1x6h h ARG 65 CO -0.71 0.54 0.05 1.25 -1.07 0.00 0.00 179.97 180.03 1x6h h HIS 66 N 0.81 0.08 -0.95 3.04 2.76 -0.49 -2.02 115.15 118.39 1x6h h HIS 66 Ca 0.22 0.02 0.26 0.00 -2.20 0.00 0.00 60.37 58.67 1x6h h HIS 66 Cb -0.07 0.01 -0.14 0.00 1.55 0.00 0.00 27.41 28.76 1x6h h HIS 66 CO -0.03 0.01 0.45 0.00 -1.30 0.00 0.00 177.93 177.07 1x6h h ALA 67 N 1.22 1.63 -0.17 5.26 0.00 -0.78 0.67 119.26 127.09 1x6h h ALA 67 Ca 0.13 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.26 1x6h h ALA 67 Cb 0.15 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1x6h h ALA 67 CO -0.18 -0.43 -0.08 -0.44 0.00 0.00 0.00 179.25 178.11 1x6h h ASP 68 N 0.37 -0.28 -0.02 0.00 3.32 -1.32 -0.94 116.42 117.54 1x6h h ASP 68 Ca 0.63 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.75 1x6h h ASP 68 Cb 1.30 0.16 0.00 0.00 0.22 0.00 0.00 39.33 41.01 1x6h h ASP 68 CO -0.57 -0.11 0.00 0.59 -1.72 0.00 0.00 179.24 177.42 1x6h n ASN 69 N -5.23 1.00 -4.80 6.45 3.02 0.19 -4.88 115.26 111.02 1x6h n ASN 69 Ca -0.03 -1.37 -0.36 0.00 -0.03 0.00 0.00 54.58 52.80 1x6h n ASN 69 Cb 0.16 -0.01 -0.07 0.00 -0.61 0.00 0.00 39.78 39.25 1x6h n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x6h n ALA 71 N 0.22 1.75 0.00 0.00 0.00 -1.26 -4.94 120.51 116.27 1x6h n ALA 71 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1x6h n ALA 71 Cb 0.51 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.17 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 2.20 -1.16 3.47 0.00 0.00 -1.26 -4.89 105.19 103.54 1x6h n GLY 72 Ca -0.33 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.14 -3.73 1.61 -0.04 -1.23 -4.33 135.00 124.14 1x6h n PRO 73 Ca 0.00 -1.73 -0.12 0.00 -0.04 0.00 0.00 63.50 61.61 1x6h n PRO 73 Cb 0.00 -1.62 -0.11 0.00 -0.04 0.00 0.00 33.50 31.73 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 -4.41 -0.42 -0.26 3.54 2.15 -1.26 -5.01 116.67 111.00 1x6h s ASP 74 Ca 0.70 0.78 -0.28 0.00 0.43 0.00 0.00 52.55 54.18 1x6h s ASP 74 Cb -0.07 0.74 -0.06 0.00 -0.30 0.00 0.00 42.92 43.24 1x6h s ASP 74 CO 0.54 -0.15 2.25 0.61 -0.17 0.00 0.00 175.17 178.24 1x6h n GLY 75 N 3.43 0.91 3.61 2.66 0.00 -1.26 -4.89 105.19 109.65 1x6h n GLY 75 Ca -0.17 0.78 -0.01 0.00 0.00 0.00 0.00 46.02 46.61 1x6h n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6h s VAL 76 N 8.73 -0.06 0.22 1.61 0.11 -1.26 -5.18 120.40 124.58 1x6h s VAL 76 Ca 1.01 0.00 0.10 0.00 -2.93 0.00 0.00 61.98 60.17 1x6h s VAL 76 Cb -0.34 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.46 1x6h s VAL 76 CO 0.35 0.00 -0.20 -1.83 -3.33 0.00 0.00 175.10 170.09 1x6h s GLU 77 N 1.41 1.49 0.52 1.54 4.04 -1.26 -5.15 118.70 121.29 1x6h s GLU 77 Ca -0.08 -1.60 0.05 0.00 0.04 0.00 0.00 54.97 53.38 1x6h s GLU 77 Cb -0.03 -1.59 0.04 0.00 0.02 0.00 0.00 34.13 32.56 1x6h s GLU 77 CO -0.14 0.31 0.72 0.20 -1.84 0.00 0.00 175.26 174.51 1x6h s GLY 78 N -3.07 1.86 0.04 -3.83 0.00 -1.26 -5.12 107.32 95.94 1x6h s GLY 78 Ca 0.23 -1.59 -0.28 0.00 0.00 0.00 0.00 44.72 43.08 1x6h s GLY 78 CO 0.11 -1.30 1.19 1.85 0.00 0.00 0.00 173.10 174.94 1x6h s GLU 79 N -4.63 0.65 -1.19 2.90 2.56 -1.26 -5.02 118.70 112.72 1x6h s GLU 79 Ca 0.58 -0.37 -0.02 0.00 0.00 0.00 0.00 54.97 55.16 1x6h s GLU 79 Cb -0.09 0.22 -0.01 0.00 2.00 0.00 0.00 34.13 36.24 1x6h s GLU 79 CO 0.37 -0.30 0.93 0.09 -0.56 0.00 0.00 175.26 175.79 1x6h n ASN 80 N -0.54 -2.87 -3.84 -1.70 4.13 -1.26 -4.99 115.26 104.20 1x6h n ASN 80 Ca -0.07 -0.68 -0.30 0.00 1.68 0.00 0.00 54.58 55.21 1x6h n ASN 80 Cb 0.62 -4.92 -0.14 0.00 -1.54 0.00 0.00 39.78 33.80 1x6h n ASN 80 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1x6h s SER 81 N -4.15 4.13 0.26 6.41 0.15 -1.26 -5.06 113.70 114.17 1x6h s SER 81 Ca 0.10 -2.39 -0.01 0.00 0.70 0.00 0.00 55.95 54.35 1x6h s SER 81 Cb -0.02 -1.26 -0.03 0.00 -1.71 0.00 0.00 66.02 63.01 1x6h s SER 81 CO 0.75 -0.32 0.27 -0.83 1.20 0.00 0.00 173.24 174.31 1x6h s GLY 82 N 0.62 1.49 -0.66 9.45 0.00 -1.26 -5.09 107.32 111.86 1x6h s GLY 82 Ca 0.14 -1.62 -0.26 0.00 0.00 0.00 0.00 44.72 42.98 1x6h s GLY 82 CO -0.07 -1.23 1.88 2.56 0.00 0.00 0.00 173.10 176.24 1x6h s PRO 83 N -3.82 2.61 0.30 2.90 0.04 -1.26 -4.98 135.00 130.79 1x6h s PRO 83 Ca 0.35 0.46 -0.03 0.00 0.04 0.00 0.00 61.00 61.82 1x6h s PRO 83 Cb 0.04 -4.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.03 1x6h s PRO 83 CO 0.16 -2.85 0.54 -1.12 0.04 0.00 0.00 177.00 173.77 1x6h s SER 84 N 8.12 6.39 -0.09 6.66 0.01 -1.26 -5.01 113.70 128.52 1x6h s SER 84 Ca 0.68 0.62 -0.29 0.00 1.31 0.00 0.00 55.95 58.26 1x6h s SER 84 Cb -0.12 -2.10 -0.07 0.00 0.21 0.00 0.00 66.02 63.95 1x6h s SER 84 CO 0.17 -0.22 1.98 -0.44 0.41 0.00 0.00 173.24 175.14 1x6h s SER 85 N -3.42 6.13 0.00 2.44 0.01 -1.26 -4.93 113.70 112.67 1x6h s SER 85 Ca 0.42 2.24 0.00 0.00 1.31 0.00 0.00 55.95 59.93 1x6h s SER 85 Cb -0.10 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1x6h s SER 85 CO 0.32 -1.37 0.03 0.61 0.41 0.00 0.00 173.24 173.24