#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 -1.20 -4.17 1.61 7.64 -1.26 -4.97 113.62 111.27 1x6h n SER 2 Ca 0.00 -0.95 -0.29 0.00 1.01 0.00 0.00 58.87 58.64 1x6h n SER 2 Cb 0.00 -3.28 -0.16 0.00 -1.01 0.00 0.00 64.21 59.75 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 -4.15 2.57 -0.12 6.43 0.01 -1.26 -5.08 113.70 112.09 1x6h s SER 3 Ca 0.15 -0.44 -0.33 0.00 1.31 0.00 0.00 55.95 56.63 1x6h s SER 3 Cb -0.08 -0.89 -0.11 0.00 0.21 0.00 0.00 66.02 65.15 1x6h s SER 3 CO 0.87 0.16 1.95 0.61 0.41 0.00 0.00 173.24 177.25 1x6h n GLY 4 N 3.28 1.36 0.10 3.44 0.00 -1.26 -4.87 105.19 107.23 1x6h n GLY 4 Ca -0.19 0.86 -0.11 0.00 0.00 0.00 0.00 46.02 46.58 1x6h n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x6h h SER 5 N 10.17 0.20 -4.26 1.61 0.87 -2.02 -3.44 113.55 116.68 1x6h h SER 5 Ca -0.46 -0.17 -0.51 0.00 -1.23 0.00 0.00 61.79 59.42 1x6h h SER 5 Cb 1.27 -0.05 0.11 0.00 -0.44 0.00 0.00 62.40 63.29 1x6h h SER 5 CO 0.96 0.31 0.35 -0.44 -0.53 0.00 0.00 176.83 177.48 1x6h s SER 6 N -5.54 4.91 0.00 6.23 0.01 -1.26 -4.91 113.70 113.14 1x6h s SER 6 Ca -0.14 1.89 0.00 0.00 1.31 0.00 0.00 55.95 59.01 1x6h s SER 6 Cb 0.06 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1x6h s SER 6 CO 0.70 -1.76 0.00 0.61 0.41 0.00 0.00 173.24 173.20 1x6h n GLY 7 N -0.93 0.00 3.53 3.44 0.00 -1.26 -5.01 105.19 104.96 1x6h n GLY 7 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1x6h n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1x6h n ARG 8 N 0.00 1.10 -4.21 1.61 1.85 -1.26 -4.91 116.66 110.84 1x6h n ARG 8 Ca 0.00 0.18 -0.13 0.00 -1.00 0.00 0.00 57.85 56.90 1x6h n ARG 8 Cb 0.00 -2.90 -0.10 0.00 -1.05 0.00 0.00 32.46 28.40 1x6h n ARG 8 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1x6h s THR 9 N 9.80 0.98 -0.16 8.89 -4.23 -1.26 -5.14 115.64 124.52 1x6h s THR 9 Ca 1.07 -1.92 -0.04 0.00 -1.18 0.00 0.00 61.69 59.62 1x6h s THR 9 Cb -0.52 -1.68 0.05 0.00 1.34 0.00 0.00 72.50 71.70 1x6h s THR 9 CO 0.37 -0.73 0.06 -1.00 -0.54 0.00 0.00 174.62 172.78 1x6h s HIS 10 N -3.18 0.49 -0.38 3.99 3.76 -1.26 -5.09 115.29 113.63 1x6h s HIS 10 Ca 0.12 -0.42 -0.34 0.00 -0.15 0.00 0.00 55.06 54.27 1x6h s HIS 10 Cb 0.02 -0.79 -0.15 0.00 1.11 0.00 0.00 32.58 32.77 1x6h s HIS 10 CO -0.01 -0.50 1.43 0.25 -0.85 0.00 0.00 174.74 175.07 1x6h n THR 11 N 5.19 0.00 0.00 1.30 -2.24 -1.26 -4.90 114.28 112.37 1x6h n THR 11 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1x6h n THR 11 Cb 0.49 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1x6h n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x6h n GLY 12 N 4.49 -0.38 3.62 3.38 0.00 -1.26 -4.99 105.19 110.06 1x6h n GLY 12 Ca 0.34 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 1x6h n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x6h s GLU 13 N 0.00 4.03 -0.41 1.61 2.56 -1.26 -5.04 118.70 120.19 1x6h s GLU 13 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 54.97 54.90 1x6h s GLU 13 Cb 0.00 -3.62 0.11 0.00 2.00 0.00 0.00 34.13 32.63 1x6h s GLU 13 CO 0.00 -0.15 0.13 0.15 -0.56 0.00 0.00 175.26 174.84 1x6h s LYS 14 N 1.66 1.65 0.36 4.30 1.02 -1.26 -4.43 119.74 123.04 1x6h s LYS 14 Ca 0.12 -2.15 0.27 0.00 0.02 0.00 0.00 55.97 54.23 1x6h s LYS 14 Cb -0.15 -3.22 1.13 0.00 -0.52 0.00 0.00 37.83 35.07 1x6h s LYS 14 CO 0.09 -1.01 1.81 -1.00 -0.92 0.00 0.00 175.35 174.32 1x6h h PRO 15 N 7.19 0.00 -4.97 -1.68 0.13 -1.86 -3.41 132.00 127.40 1x6h h PRO 15 Ca -0.06 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.39 1x6h h PRO 15 Cb 0.97 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.92 1x6h h PRO 15 CO 0.58 0.00 -0.02 0.71 -0.23 0.00 0.00 178.00 179.04 1x6h s TYR 16 N -3.44 3.09 -0.22 1.56 1.51 -1.11 -5.00 117.35 113.74 1x6h s TYR 16 Ca 0.03 -0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 55.61 1x6h s TYR 16 Cb 0.09 -3.34 0.00 0.00 -0.11 0.00 0.00 41.96 38.60 1x6h s TYR 16 CO 0.44 -0.92 -0.07 0.00 -1.11 0.00 0.00 175.55 173.89 1x6h s ALA 17 N 2.49 2.72 0.50 3.71 0.00 -1.26 -0.41 121.76 129.51 1x6h s ALA 17 Ca 0.15 -1.24 -0.23 0.00 0.00 0.00 0.00 51.96 50.64 1x6h s ALA 17 Cb -0.18 -1.63 -0.07 0.00 0.00 0.00 0.00 23.12 21.24 1x6h s ALA 17 CO 0.13 -0.50 1.40 0.00 0.00 0.00 0.00 175.76 176.79 1x6h h SER 19 N 1.85 0.21 -0.57 0.00 0.87 -1.99 -3.38 113.55 110.53 1x6h h SER 19 Ca -0.51 -0.74 0.05 0.00 -1.23 0.00 0.00 61.79 59.37 1x6h h SER 19 Cb 1.29 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 63.13 1x6h h SER 19 CO 0.59 1.59 0.29 0.45 -0.53 0.00 0.00 176.83 179.22 1x6h h HIS 20 N -0.56 0.53 -4.66 2.24 3.86 -1.99 -3.45 115.15 111.13 1x6h h HIS 20 Ca -0.33 0.02 -0.45 0.00 -1.16 0.00 0.00 60.37 58.45 1x6h h HIS 20 Cb 1.59 -0.15 -0.09 0.00 1.06 0.00 0.00 27.41 29.81 1x6h h HIS 20 CO 0.11 0.25 -0.34 0.00 0.86 0.00 0.00 177.93 178.81 1x6h n ASP 22 N -1.31 6.96 -4.58 0.00 -0.08 -1.26 -4.42 116.55 111.86 1x6h n ASP 22 Ca -0.13 -3.77 -0.27 0.00 -1.51 0.00 0.00 54.79 49.12 1x6h n ASP 22 Cb 0.45 -1.00 -0.09 0.00 2.34 0.00 0.00 41.12 42.81 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 -4.07 2.10 0.12 -0.67 -0.14 -1.26 -4.99 119.74 110.83 1x6h s LYS 23 Ca 0.47 -1.21 0.04 0.00 -1.36 0.00 0.00 55.97 53.92 1x6h s LYS 23 Cb 0.34 -2.20 -0.04 0.00 -1.68 0.00 0.00 37.83 34.25 1x6h s LYS 23 CO -0.28 0.45 -0.11 0.95 -0.76 0.00 0.00 175.35 175.60 1x6h s THR 24 N -1.61 1.10 -0.13 2.17 -4.23 -1.26 -0.22 115.64 111.47 1x6h s THR 24 Ca 0.24 -1.80 -0.11 0.00 -1.18 0.00 0.00 61.69 58.84 1x6h s THR 24 Cb -0.09 -1.57 0.04 0.00 1.34 0.00 0.00 72.50 72.22 1x6h s THR 24 CO 0.15 -0.60 0.34 -0.36 -0.54 0.00 0.00 174.62 173.62 1x6h s PHE 25 N -2.69 -0.40 0.13 3.99 0.40 0.45 -4.99 117.98 114.88 1x6h s PHE 25 Ca 0.10 0.95 0.24 0.00 -0.60 0.00 0.00 56.93 57.62 1x6h s PHE 25 Cb -0.01 0.14 0.92 0.00 0.51 0.00 0.00 43.02 44.57 1x6h s PHE 25 CO 0.01 -0.20 1.83 0.07 0.70 0.00 0.00 175.22 177.62 1x6h h ARG 26 N 5.86 0.00 -6.01 0.44 -0.00 -1.87 -2.93 114.38 109.88 1x6h h ARG 26 Ca -0.28 0.00 -0.68 0.00 -0.00 0.00 0.00 59.98 59.02 1x6h h ARG 26 Cb 1.18 0.00 -0.31 0.00 -0.00 0.00 0.00 29.97 30.84 1x6h h ARG 26 CO 0.30 0.22 -0.88 -0.65 -0.00 0.00 0.00 179.97 178.96 1x6h s GLN 27 N -3.65 2.44 0.15 0.08 -0.21 -1.26 -4.76 119.66 112.45 1x6h s GLN 27 Ca 0.01 -0.88 -0.18 0.00 0.02 0.00 0.00 55.36 54.33 1x6h s GLN 27 Cb 0.10 -2.09 0.05 0.00 1.00 0.00 0.00 33.01 32.07 1x6h s GLN 27 CO 0.64 0.39 1.70 -0.22 -2.12 0.00 0.00 175.29 175.67 1x6h h LYS 28 N 6.02 0.05 -0.89 2.91 3.64 -1.98 -1.82 116.57 124.49 1x6h h LYS 28 Ca -0.33 -0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.29 1x6h h LYS 28 Cb 1.17 -0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 32.83 1x6h h LYS 28 CO 0.47 0.03 0.19 0.37 -2.27 0.00 0.00 179.45 178.24 1x6h h GLN 29 N 0.05 0.14 -0.09 1.90 5.75 -1.98 0.30 115.11 121.18 1x6h h GLN 29 Ca 0.15 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1x6h h GLN 29 Cb 0.22 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1x6h h GLN 29 CO -0.29 0.10 0.02 -0.07 -2.65 0.00 0.00 178.83 175.94 1x6h h LEU 30 N 0.15 0.02 -1.15 -2.39 4.07 -1.74 0.85 115.31 115.12 1x6h h LEU 30 Ca 0.56 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.53 1x6h h LEU 30 Cb 1.15 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1x6h h LEU 30 CO -0.71 0.03 0.00 0.25 -1.08 0.00 0.00 178.44 176.92 1x6h h LEU 31 N 0.07 0.00 0.17 1.67 5.85 -0.49 0.68 115.31 123.25 1x6h h LEU 31 Ca 0.04 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.46 1x6h h LEU 31 Cb 0.03 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.07 1x6h h LEU 31 CO -0.05 0.00 -1.43 -0.78 -0.34 0.00 0.00 178.44 175.84 1x6h h ASP 32 N 0.00 0.55 1.08 1.25 3.58 0.58 -3.29 116.42 120.17 1x6h h ASP 32 Ca 0.00 -0.91 -0.19 0.00 0.42 0.00 0.00 57.03 56.35 1x6h h ASP 32 Cb 0.37 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 1x6h h ASP 32 CO 0.00 1.65 -0.93 0.00 -2.88 0.00 0.00 179.24 177.09 1x6h h MET 33 N -0.11 0.00 -0.87 0.28 -0.00 -0.68 -3.21 114.93 110.34 1x6h h MET 33 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.42 1x6h h MET 33 Cb 1.91 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 33.47 1x6h h MET 33 CO 0.15 0.90 0.54 1.25 -0.00 0.00 0.00 176.91 179.75 1x6h h HIS 34 N 0.00 1.12 0.59 -0.10 -0.00 -1.00 0.19 115.15 115.95 1x6h h HIS 34 Ca -0.01 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 1x6h h HIS 34 Cb 1.71 -0.37 0.01 0.00 -0.00 0.00 0.00 27.41 28.75 1x6h h HIS 34 CO 0.00 0.73 -0.28 0.35 -0.00 0.00 0.00 177.93 178.73 1x6h h PHE 35 N 1.18 -0.73 0.00 5.26 3.04 -1.63 0.26 116.94 124.32 1x6h h PHE 35 Ca 0.31 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.25 1x6h h PHE 35 Cb -0.08 0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.67 1x6h h PHE 35 CO -0.00 -0.46 0.00 1.63 -2.02 0.00 0.00 178.31 177.46 1x6h n LYS 36 N -5.27 0.00 -0.07 1.11 4.76 -1.20 -0.67 118.16 116.81 1x6h n LYS 36 Ca -0.10 0.45 -0.07 0.00 -2.87 0.00 0.00 58.31 55.72 1x6h n LYS 36 Cb 0.31 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.98 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 -1.46 0.45 0.06 1.97 0.63 0.05 -1.75 116.66 116.61 1x6h n ARG 37 Ca 0.00 0.28 -0.03 0.00 -0.92 0.00 0.00 57.85 57.18 1x6h n ARG 37 Cb 0.01 -1.40 -0.02 0.00 0.45 0.00 0.00 32.46 31.50 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 -0.89 -0.21 0.00 -0.14 -1.99 -0.33 -3.24 116.97 110.16 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 0.76 0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.56 1x6h h TYR 38 CO -0.33 -0.13 0.00 0.72 -0.00 0.00 0.00 178.16 178.42 1x6h n HIS 39 N -4.06 0.00 -3.61 4.88 8.25 0.15 -4.31 115.22 116.53 1x6h n HIS 39 Ca -0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.32 1x6h n HIS 39 Cb 0.09 -0.47 -0.11 0.00 1.12 0.00 0.00 29.99 30.62 1x6h n HIS 39 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1x6h s ASP 40 N -2.93 0.14 0.00 0.41 1.11 -0.84 -4.95 116.67 109.60 1x6h s ASP 40 Ca 0.00 0.66 0.11 0.00 0.18 0.00 0.00 52.55 53.51 1x6h s ASP 40 Cb 0.01 1.01 0.67 0.00 1.07 0.00 0.00 42.92 45.68 1x6h s ASP 40 CO 0.02 -0.25 1.10 -0.81 1.18 0.00 0.00 175.17 176.41 1x6h n PRO 41 N 5.37 0.49 0.21 8.23 -0.04 -1.24 -3.14 135.00 144.88 1x6h n PRO 41 Ca -0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.31 1x6h n PRO 41 Cb 0.50 -1.36 -0.04 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.48 -2.81 3.54 2.35 -1.82 -3.43 115.58 112.92 1x6h h ASN 42 Ca 0.00 0.02 -0.53 0.00 -0.55 0.00 0.00 56.30 55.24 1x6h h ASN 42 Cb 0.00 0.13 0.03 0.00 0.05 0.00 0.00 38.32 38.52 1x6h h ASN 42 CO 0.00 -0.18 0.89 0.12 -1.65 0.00 0.00 177.43 176.61 1x6h s PHE 43 N -3.55 2.81 -0.07 1.19 2.19 -0.72 -5.00 117.98 114.83 1x6h s PHE 43 Ca -0.08 0.59 -0.01 0.00 0.33 0.00 0.00 56.93 57.75 1x6h s PHE 43 Cb 0.01 -3.87 0.03 0.00 -1.31 0.00 0.00 43.02 37.88 1x6h s PHE 43 CO 0.25 -3.29 -0.02 0.54 1.83 0.00 0.00 175.22 174.53 1x6h s VAL 44 N 1.89 0.49 0.07 3.12 0.11 -1.26 -4.41 120.40 120.41 1x6h s VAL 44 Ca 0.70 0.03 -0.31 0.00 -2.93 0.00 0.00 61.98 59.47 1x6h s VAL 44 Cb -0.39 -0.61 -0.07 0.00 -1.53 0.00 0.00 36.38 33.77 1x6h s VAL 44 CO 0.31 0.27 1.40 -2.16 -3.33 0.00 0.00 175.10 171.59 1x6h s PRO 45 N 1.79 4.31 -0.45 1.54 0.04 -1.26 -4.96 135.00 136.00 1x6h s PRO 45 Ca 0.03 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 1x6h s PRO 45 Cb -0.13 -3.39 0.01 0.00 0.04 0.00 0.00 34.50 31.03 1x6h s PRO 45 CO -0.05 -0.49 1.38 0.00 0.04 0.00 0.00 177.00 177.88 1x6h s ALA 46 N 1.66 3.01 -0.39 8.56 0.00 -1.26 -4.98 121.76 128.35 1x6h s ALA 46 Ca 0.64 -0.29 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 1x6h s ALA 46 Cb -0.35 -3.97 0.08 0.00 0.00 0.00 0.00 23.12 18.88 1x6h s ALA 46 CO 0.29 -2.49 0.20 0.00 0.00 0.00 0.00 175.76 173.75 1x6h s ALA 47 N 5.46 3.17 -0.18 0.00 0.00 -1.26 -4.48 121.76 124.48 1x6h s ALA 47 Ca 0.58 -2.13 -0.00 0.00 0.00 0.00 0.00 51.96 50.40 1x6h s ALA 47 Cb -0.12 -2.47 0.04 0.00 0.00 0.00 0.00 23.12 20.57 1x6h s ALA 47 CO 0.31 -1.60 -0.06 -0.06 0.00 0.00 0.00 175.76 174.35 1x6h s PHE 48 N 1.34 1.86 -0.07 0.00 0.40 -1.23 -5.03 117.98 115.26 1x6h s PHE 48 Ca 0.03 -1.22 -0.02 0.00 -0.60 0.00 0.00 56.93 55.11 1x6h s PHE 48 Cb -0.22 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 1x6h s PHE 48 CO 0.00 -0.65 0.06 0.08 0.70 0.00 0.00 175.22 175.41 1x6h s VAL 49 N 1.58 4.70 -0.35 -0.44 1.01 -1.26 -0.83 120.40 124.81 1x6h s VAL 49 Ca -0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.50 1x6h s VAL 49 Cb -0.16 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 1x6h s VAL 49 CO -0.08 0.53 1.69 0.00 0.00 0.00 0.00 175.10 177.24 1x6h n SER 51 N 9.88 0.00 -0.08 0.00 7.64 -1.26 0.00 113.62 129.80 1x6h n SER 51 Ca 0.21 -0.19 -0.11 0.00 1.01 0.00 0.00 58.87 59.79 1x6h n SER 51 Cb 0.47 -0.14 -0.05 0.00 -1.01 0.00 0.00 64.21 63.48 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 -1.14 0.50 -0.12 1.43 5.02 -1.26 -4.80 118.16 117.79 1x6h n LYS 52 Ca 0.09 0.51 -0.25 0.00 -2.02 0.00 0.00 58.31 56.64 1x6h n LYS 52 Cb 0.08 -1.68 -0.09 0.00 -0.02 0.00 0.00 35.03 33.31 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 1.59 1.90 3.88 0.00 0.00 0.10 -4.33 105.19 108.33 1x6h n GLY 54 Ca -0.48 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.07 3.78 -0.21 1.61 1.02 -1.25 -4.75 119.74 119.86 1x6h s LYS 55 Ca 0.00 0.22 -0.13 0.00 0.02 0.00 0.00 55.97 56.09 1x6h s LYS 55 Cb 0.00 -2.69 -0.05 0.00 -0.52 0.00 0.00 37.83 34.58 1x6h s LYS 55 CO 0.00 0.35 0.25 0.95 -0.92 0.00 0.00 175.35 175.98 1x6h s THR 56 N -1.78 5.31 0.37 2.17 -4.23 -1.26 -0.16 115.64 116.06 1x6h s THR 56 Ca 0.46 0.40 0.08 0.00 -1.18 0.00 0.00 61.69 61.45 1x6h s THR 56 Cb -0.11 -3.59 -0.06 0.00 1.34 0.00 0.00 72.50 70.08 1x6h s THR 56 CO 0.22 0.33 0.08 -0.36 -0.54 0.00 0.00 174.62 174.34 1x6h s PHE 57 N 0.99 2.57 -0.22 3.99 0.40 -0.01 -5.01 117.98 120.69 1x6h s PHE 57 Ca 0.12 -0.52 0.06 0.00 -0.60 0.00 0.00 56.93 56.00 1x6h s PHE 57 Cb -0.14 -1.70 -0.20 0.00 0.51 0.00 0.00 43.02 41.49 1x6h s PHE 57 CO 0.05 0.37 -0.06 0.25 0.70 0.00 0.00 175.22 176.52 1x6h n THR 58 N -1.06 1.49 -4.27 0.64 -2.24 -1.26 -3.47 114.28 104.11 1x6h n THR 58 Ca -0.03 -0.67 -0.28 0.00 -2.27 0.00 0.00 64.05 60.80 1x6h n THR 58 Cb 0.64 -1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 67.61 1x6h n THR 58 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x6h s ARG 59 N -2.52 2.03 -0.07 -0.78 0.52 -1.26 -4.37 118.95 112.50 1x6h s ARG 59 Ca -0.26 -1.17 -0.17 0.00 -0.52 0.00 0.00 55.73 53.61 1x6h s ARG 59 Cb 0.08 -2.20 -0.13 0.00 0.52 0.00 0.00 34.95 33.22 1x6h s ARG 59 CO 0.69 0.47 0.64 -0.09 0.02 0.00 0.00 175.30 177.03 1x6h h ARG 60 N 3.30 -0.17 -0.66 3.54 1.12 -1.93 -3.02 114.38 116.56 1x6h h ARG 60 Ca -0.48 0.01 0.14 0.00 -1.11 0.00 0.00 59.98 58.54 1x6h h ARG 60 Cb 1.18 0.04 -0.11 0.00 -0.01 0.00 0.00 29.97 31.07 1x6h h ARG 60 CO 0.52 0.23 -0.00 -0.91 -3.11 0.00 0.00 179.97 176.69 1x6h h ASN 61 N -0.95 -0.31 -0.37 -3.80 2.35 -1.99 0.17 115.58 110.69 1x6h h ASN 61 Ca -0.02 0.17 0.05 0.00 -0.55 0.00 0.00 56.30 55.95 1x6h h ASN 61 Cb 0.48 0.30 -0.04 0.00 0.05 0.00 0.00 38.32 39.10 1x6h h ASN 61 CO 0.03 -0.14 0.11 0.74 -1.65 0.00 0.00 177.43 176.53 1x6h h THR 62 N 0.11 0.87 0.39 2.81 2.02 -2.00 -2.39 112.91 114.72 1x6h h THR 62 Ca 0.35 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.42 1x6h h THR 62 Cb 0.58 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1x6h h THR 62 CO -0.57 0.05 -0.19 -0.03 0.37 0.00 0.00 175.52 175.15 1x6h h MET 63 N 0.26 -0.51 -0.90 6.66 1.85 -0.96 -2.25 114.93 119.09 1x6h h MET 63 Ca 0.17 0.03 0.17 0.00 -0.61 0.00 0.00 59.70 59.47 1x6h h MET 63 Cb 0.16 0.11 -0.17 0.00 0.43 0.00 0.00 31.60 32.14 1x6h h MET 63 CO -0.19 -0.26 -0.26 0.00 -0.40 0.00 0.00 176.91 175.80 1x6h h ALA 64 N -0.12 0.48 -0.61 0.39 0.00 -0.56 0.49 119.26 119.33 1x6h h ALA 64 Ca -0.05 0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1x6h h ALA 64 Cb 0.48 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1x6h h ALA 64 CO 0.09 -0.45 0.30 0.00 0.00 0.00 0.00 179.25 179.19 1x6h h ARG 65 N -0.01 0.88 -0.70 0.00 3.08 -1.35 -2.75 114.38 113.52 1x6h h ARG 65 Ca 0.41 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 1x6h h ARG 65 Cb 0.64 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1x6h h ARG 65 CO -0.92 0.71 0.42 1.25 -1.07 0.00 0.00 179.97 180.36 1x6h h HIS 66 N 0.84 0.93 -0.78 3.04 -0.00 0.40 -2.20 115.15 117.38 1x6h h HIS 66 Ca 0.21 -0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.71 1x6h h HIS 66 Cb 0.11 -0.31 -0.05 0.00 -0.00 0.00 0.00 27.41 27.16 1x6h h HIS 66 CO -0.00 0.63 0.51 0.00 -0.00 0.00 0.00 177.93 179.07 1x6h h ALA 67 N 1.22 1.95 0.18 5.26 0.00 -0.22 0.85 119.26 128.49 1x6h h ALA 67 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1x6h h ALA 67 Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1x6h h ALA 67 CO -0.05 -0.14 -0.15 0.22 0.00 0.00 0.00 179.25 179.13 1x6h h ASP 68 N 0.56 -0.39 -0.01 0.00 1.82 -1.25 -1.74 116.42 115.41 1x6h h ASP 68 Ca 0.38 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 57.05 1x6h h ASP 68 Cb 0.68 0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.82 1x6h h ASP 68 CO -0.14 -0.23 0.00 0.59 -1.61 0.00 0.00 179.24 177.85 1x6h n ASN 69 N -5.27 0.38 -4.84 2.28 3.02 -0.80 -4.86 115.26 105.17 1x6h n ASN 69 Ca -0.08 -1.19 -0.32 0.00 -0.03 0.00 0.00 54.58 52.96 1x6h n ASN 69 Cb 0.19 -0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.17 1.87 0.00 0.00 0.00 -1.26 -4.97 120.51 114.98 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 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 2.67 -0.07 3.56 0.00 0.00 -1.26 -4.92 105.19 105.16 1x6h n GLY 72 Ca 0.00 -1.49 -0.27 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.00 2.56 -0.71 1.61 0.04 -1.25 -4.40 135.00 130.85 1x6h s PRO 73 Ca 0.00 -0.32 0.01 0.00 0.04 0.00 0.00 61.00 60.74 1x6h s PRO 73 Cb 0.00 -5.07 0.17 0.00 0.04 0.00 0.00 34.50 29.65 1x6h s PRO 73 CO 0.00 -3.39 0.52 -0.51 0.04 0.00 0.00 177.00 173.66 1x6h s ASP 74 N 7.98 5.15 0.00 6.66 1.01 -1.26 -5.00 116.67 131.21 1x6h s ASP 74 Ca 0.70 -3.45 0.00 0.00 0.71 0.00 0.00 52.55 50.51 1x6h s ASP 74 Cb -0.06 -1.76 0.00 0.00 1.01 0.00 0.00 42.92 42.10 1x6h s ASP 74 CO -0.00 -0.20 0.00 0.61 0.21 0.00 0.00 175.17 175.78 1x6h n GLY 75 N 2.61 0.27 3.48 0.21 0.00 -1.26 -5.08 105.19 105.42 1x6h n GLY 75 Ca 0.15 -1.50 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.82 0.00 -0.30 1.61 0.11 -1.26 -5.15 120.40 113.59 1x6h s VAL 76 Ca 0.00 -0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 58.87 1x6h s VAL 76 Cb 0.00 -0.81 0.18 0.00 -1.53 0.00 0.00 36.38 34.22 1x6h s VAL 76 CO 0.00 -0.00 1.15 -0.70 -3.33 0.00 0.00 175.10 172.21 1x6h s GLU 77 N 0.24 0.15 0.00 1.54 2.12 -1.26 -5.17 118.70 116.32 1x6h s GLU 77 Ca -0.01 0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.68 1x6h s GLU 77 Cb -0.04 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.56 1x6h s GLU 77 CO 0.01 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.07 1x6h n GLY 78 N 4.85 0.65 2.99 -1.50 0.00 -1.26 -4.93 105.19 105.99 1x6h n GLY 78 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1x6h n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x6h s GLU 79 N 3.51 1.26 0.02 1.61 2.56 -1.26 -4.85 118.70 121.55 1x6h s GLU 79 Ca 0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 54.97 54.55 1x6h s GLU 79 Cb 0.00 -1.11 -0.06 0.00 2.00 0.00 0.00 34.13 34.96 1x6h s GLU 79 CO 0.00 0.03 0.38 0.54 -0.56 0.00 0.00 175.26 175.65 1x6h s ASN 80 N 0.56 6.69 -1.56 -1.70 4.22 -1.26 -4.32 114.94 117.57 1x6h s ASN 80 Ca -0.10 0.83 -0.13 0.00 -2.14 0.00 0.00 52.86 51.32 1x6h s ASN 80 Cb -0.13 -2.20 0.13 0.00 1.28 0.00 0.00 41.25 40.33 1x6h s ASN 80 CO 0.02 0.26 0.32 -0.24 -2.04 0.00 0.00 177.10 175.42 1x6h n SER 81 N 1.41 -0.64 0.00 3.54 2.88 -1.26 -4.89 113.62 114.66 1x6h n SER 81 Ca -0.12 -1.12 0.00 0.00 -1.33 0.00 0.00 58.87 56.30 1x6h n SER 81 Cb 0.53 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 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 -1.56 -0.75 3.66 0.46 0.00 -1.26 -5.00 105.19 100.73 1x6h n GLY 82 Ca -0.05 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1x6h n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6h s PRO 83 N 0.00 0.04 0.39 1.61 0.04 -1.26 -5.09 135.00 130.74 1x6h s PRO 83 Ca 0.00 0.39 0.04 0.00 0.04 0.00 0.00 61.00 61.47 1x6h s PRO 83 Cb 0.00 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 1x6h s PRO 83 CO 0.00 -2.96 0.08 -1.12 0.04 0.00 0.00 177.00 173.04 1x6h s SER 84 N -3.52 2.89 0.05 6.66 0.01 -1.26 -5.08 113.70 113.44 1x6h s SER 84 Ca 0.66 -1.55 -0.28 0.00 1.31 0.00 0.00 55.95 56.09 1x6h s SER 84 Cb -0.17 0.25 -0.15 0.00 0.21 0.00 0.00 66.02 66.16 1x6h s SER 84 CO 0.57 -0.78 1.42 0.28 0.41 0.00 0.00 173.24 175.14 1x6h h SER 85 N 1.84 -0.87 0.00 2.44 0.02 -2.00 -3.56 113.55 111.43 1x6h h SER 85 Ca -0.39 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1x6h h SER 85 Cb 1.27 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.03 1x6h h SER 85 CO 0.65 -0.61 0.00 0.61 -1.14 0.00 0.00 176.83 176.34