#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 5.50 0.04 1.61 3.41 -1.26 -4.60 113.62 118.32 1x6h n SER 2 Ca 0.00 -2.60 -0.12 0.00 -0.26 0.00 0.00 58.87 55.89 1x6h n SER 2 Cb 0.00 -1.32 -0.05 0.00 -0.26 0.00 0.00 64.21 62.58 1x6h n SER 2 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1x6h h SER 3 N 2.54 -0.99 0.00 4.04 4.64 -2.10 -3.45 113.55 118.23 1x6h h SER 3 Ca 0.19 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1x6h h SER 3 Cb 1.27 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 1x6h h SER 3 CO 0.30 -0.38 0.00 0.61 -0.87 0.00 0.00 176.83 176.49 1x6h n GLY 4 N -1.41 -0.92 3.77 -0.77 0.00 -1.26 -5.15 105.19 99.44 1x6h n GLY 4 Ca -0.04 0.74 -0.37 0.00 0.00 0.00 0.00 46.02 46.34 1x6h n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x6h s SER 5 N 0.00 6.40 -0.18 1.61 0.15 -1.26 -4.98 113.70 115.44 1x6h s SER 5 Ca 0.00 2.29 -0.19 0.00 0.70 0.00 0.00 55.95 58.75 1x6h s SER 5 Cb 0.00 -2.61 -0.22 0.00 -1.71 0.00 0.00 66.02 61.49 1x6h s SER 5 CO 0.00 -0.76 0.33 0.28 1.20 0.00 0.00 173.24 174.29 1x6h h SER 6 N 2.36 0.11 -3.96 5.45 0.02 -2.04 -3.47 113.55 112.03 1x6h h SER 6 Ca -0.49 -0.66 -0.52 0.00 -0.84 0.00 0.00 61.79 59.28 1x6h h SER 6 Cb 1.24 -0.04 0.07 0.00 0.14 0.00 0.00 62.40 63.81 1x6h h SER 6 CO 0.61 1.52 0.55 -0.83 -1.14 0.00 0.00 176.83 177.55 1x6h s GLY 7 N -4.92 2.88 -0.37 -3.77 0.00 -1.26 -4.97 107.32 94.92 1x6h s GLY 7 Ca -0.26 1.10 0.09 0.00 0.00 0.00 0.00 44.72 45.65 1x6h s GLY 7 CO 0.65 1.63 1.11 -2.13 0.00 0.00 0.00 173.10 174.36 1x6h n ARG 8 N -0.04 3.02 -1.87 2.90 3.00 -1.26 -5.04 116.66 117.36 1x6h n ARG 8 Ca 0.05 -4.15 -0.38 0.00 -0.00 0.00 0.00 57.85 53.37 1x6h n ARG 8 Cb 0.45 -2.06 -0.03 0.00 0.00 0.00 0.00 32.46 30.82 1x6h n ARG 8 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1x6h s THR 9 N -4.78 3.24 0.18 5.15 -4.23 -1.26 -4.96 115.64 108.98 1x6h s THR 9 Ca 0.44 0.16 -0.21 0.00 -1.18 0.00 0.00 61.69 60.90 1x6h s THR 9 Cb 0.40 -3.60 -0.08 0.00 1.34 0.00 0.00 72.50 70.57 1x6h s THR 9 CO -0.08 -0.56 0.70 -1.38 -0.54 0.00 0.00 174.62 172.75 1x6h s HIS 10 N 9.90 3.74 -0.24 3.99 -3.43 -1.26 -5.06 115.29 122.93 1x6h s HIS 10 Ca 0.79 1.40 -0.03 0.00 -0.80 0.00 0.00 55.06 56.42 1x6h s HIS 10 Cb -0.15 -2.61 0.11 0.00 -1.43 0.00 0.00 32.58 28.50 1x6h s HIS 10 CO 0.24 0.43 0.28 0.99 -2.00 0.00 0.00 174.74 174.68 1x6h s THR 11 N -1.35 -0.41 -1.42 -5.38 2.01 -1.26 -5.12 115.64 102.70 1x6h s THR 11 Ca 0.38 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.17 1x6h s THR 11 Cb -0.19 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.53 1x6h s THR 11 CO 0.22 -0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 1x6h n GLY 12 N 5.33 0.45 3.87 4.40 0.00 -1.26 -5.10 105.19 112.88 1x6h n GLY 12 Ca -0.04 -2.19 -0.25 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.57 2.32 -0.34 1.61 0.41 -1.26 -5.11 118.70 115.76 1x6h s GLU 13 Ca 0.00 -1.87 -0.05 0.00 -0.41 0.00 0.00 54.97 52.64 1x6h s GLU 13 Cb 0.00 -2.16 0.05 0.00 -1.78 0.00 0.00 34.13 30.24 1x6h s GLU 13 CO 0.00 -0.44 0.10 0.15 -0.49 0.00 0.00 175.26 174.58 1x6h s LYS 14 N -4.20 2.52 0.25 1.61 1.02 -1.26 -4.88 119.74 114.81 1x6h s LYS 14 Ca 0.39 -1.28 0.02 0.00 0.02 0.00 0.00 55.97 55.12 1x6h s LYS 14 Cb -0.02 -3.43 0.29 0.00 -0.52 0.00 0.00 37.83 34.16 1x6h s LYS 14 CO 0.23 -0.71 1.62 -1.00 -0.92 0.00 0.00 175.35 174.57 1x6h h PRO 15 N 8.17 0.41 -6.24 -1.68 0.13 -1.85 -3.41 132.00 127.52 1x6h h PRO 15 Ca -0.22 -0.21 -0.53 0.00 -0.87 0.00 0.00 66.00 64.17 1x6h h PRO 15 Cb 1.07 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.14 1x6h h PRO 15 CO 0.61 0.78 1.15 0.71 -0.23 0.00 0.00 178.00 181.01 1x6h s TYR 16 N -4.12 2.17 -0.26 1.56 1.51 -1.17 -4.96 117.35 112.07 1x6h s TYR 16 Ca -0.06 0.06 -0.05 0.00 -1.01 0.00 0.00 57.07 56.02 1x6h s TYR 16 Cb 0.13 -4.51 0.00 0.00 -0.11 0.00 0.00 41.96 37.47 1x6h s TYR 16 CO 0.80 -2.10 0.01 0.00 -1.11 0.00 0.00 175.55 173.15 1x6h s ALA 17 N 6.46 2.91 0.49 3.71 0.00 -1.26 0.01 121.76 134.09 1x6h s ALA 17 Ca 0.43 -1.33 -0.21 0.00 0.00 0.00 0.00 51.96 50.86 1x6h s ALA 17 Cb -0.08 -1.89 -0.10 0.00 0.00 0.00 0.00 23.12 21.05 1x6h s ALA 17 CO 0.13 -0.70 0.69 0.00 0.00 0.00 0.00 175.76 175.88 1x6h n SER 19 N 0.62 2.08 -0.23 0.00 7.64 -1.26 -4.27 113.62 118.21 1x6h n SER 19 Ca 0.11 0.24 -0.06 0.00 1.01 0.00 0.00 58.87 60.17 1x6h n SER 19 Cb 0.43 -0.88 0.04 0.00 -1.01 0.00 0.00 64.21 62.79 1x6h n SER 19 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1x6h h HIS 20 N -0.13 0.89 -1.28 1.43 3.86 -1.98 -3.45 115.15 114.48 1x6h h HIS 20 Ca -0.42 -0.03 -0.63 0.00 -1.16 0.00 0.00 60.37 58.13 1x6h h HIS 20 Cb 1.90 -0.28 -0.13 0.00 1.06 0.00 0.00 27.41 29.96 1x6h h HIS 20 CO 0.08 0.65 -0.51 0.00 0.86 0.00 0.00 177.93 179.01 1x6h n ASP 22 N -1.31 7.24 -4.67 0.00 2.03 -1.26 -4.35 116.55 114.23 1x6h n ASP 22 Ca -0.14 -3.64 -0.32 0.00 0.52 0.00 0.00 54.79 51.21 1x6h n ASP 22 Cb 0.66 -1.10 -0.09 0.00 -0.72 0.00 0.00 41.12 39.87 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 -3.36 2.68 0.22 -0.67 -0.14 -1.26 -4.97 119.74 112.23 1x6h s LYS 23 Ca 0.54 -0.70 0.10 0.00 -1.36 0.00 0.00 55.97 54.56 1x6h s LYS 23 Cb 0.43 -2.61 -0.05 0.00 -1.68 0.00 0.00 37.83 33.92 1x6h s LYS 23 CO -0.31 0.60 -0.18 0.95 -0.76 0.00 0.00 175.35 175.64 1x6h s THR 24 N -1.14 2.09 0.04 2.17 -4.23 -1.26 0.65 115.64 113.95 1x6h s THR 24 Ca 0.21 -2.19 -0.12 0.00 -1.18 0.00 0.00 61.69 58.41 1x6h s THR 24 Cb -0.12 -2.10 0.01 0.00 1.34 0.00 0.00 72.50 71.64 1x6h s THR 24 CO 0.12 -0.40 0.25 -0.36 -0.54 0.00 0.00 174.62 173.69 1x6h s PHE 25 N -2.44 -0.04 -0.07 3.99 0.40 0.10 -4.97 117.98 114.96 1x6h s PHE 25 Ca 0.23 -0.11 -0.17 0.00 -0.60 0.00 0.00 56.93 56.28 1x6h s PHE 25 Cb -0.04 0.04 -0.13 0.00 0.51 0.00 0.00 43.02 43.40 1x6h s PHE 25 CO 0.10 -0.46 0.65 -0.09 0.70 0.00 0.00 175.22 176.12 1x6h h ARG 26 N 3.39 -0.19 -5.44 0.44 2.43 -1.89 -3.11 114.38 110.01 1x6h h ARG 26 Ca -0.32 0.01 -0.63 0.00 -0.81 0.00 0.00 59.98 58.24 1x6h h ARG 26 Cb 1.19 0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.67 1x6h h ARG 26 CO 0.46 0.18 -0.52 -0.65 -1.51 0.00 0.00 179.97 177.93 1x6h s GLN 27 N -2.88 3.82 0.32 0.20 -0.21 -1.26 -4.69 119.66 114.96 1x6h s GLN 27 Ca -0.10 -0.25 0.10 0.00 0.02 0.00 0.00 55.36 55.13 1x6h s GLN 27 Cb -0.00 -3.24 0.95 0.00 1.00 0.00 0.00 33.01 31.72 1x6h s GLN 27 CO 0.37 0.46 1.65 -0.22 -2.12 0.00 0.00 175.29 175.43 1x6h h LYS 28 N 6.08 0.27 -0.90 2.91 1.63 -1.97 0.33 116.57 124.93 1x6h h LYS 28 Ca -0.44 -0.02 0.23 0.00 -0.85 0.00 0.00 60.65 59.57 1x6h h LYS 28 Cb 1.18 -0.06 -0.13 0.00 -0.60 0.00 0.00 32.23 32.62 1x6h h LYS 28 CO 0.68 0.18 0.35 0.37 -3.45 0.00 0.00 179.45 177.58 1x6h h GLN 29 N 0.27 0.32 -0.09 1.90 4.15 -1.98 0.53 115.11 120.22 1x6h h GLN 29 Ca 0.67 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 60.07 1x6h h GLN 29 Cb 1.47 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 29.08 1x6h h GLN 29 CO -0.63 0.21 0.05 -0.07 -1.93 0.00 0.00 178.83 176.45 1x6h h LEU 30 N 0.33 0.11 -1.41 -2.39 -0.00 -0.74 0.73 115.31 111.94 1x6h h LEU 30 Ca 0.57 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 58.37 1x6h h LEU 30 Cb 1.12 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1x6h h LEU 30 CO -0.57 0.16 0.00 0.25 -0.00 0.00 0.00 178.44 178.27 1x6h h LEU 31 N 0.05 0.00 0.20 1.67 5.85 -0.89 0.81 115.31 122.99 1x6h h LEU 31 Ca 0.03 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.47 1x6h h LEU 31 Cb 0.08 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.13 1x6h h LEU 31 CO -0.00 0.00 -1.24 -0.78 -0.34 0.00 0.00 178.44 176.07 1x6h h ASP 32 N 0.00 0.65 1.02 1.25 3.58 0.58 -3.23 116.42 120.28 1x6h h ASP 32 Ca 0.00 -0.93 -0.20 0.00 0.42 0.00 0.00 57.03 56.32 1x6h h ASP 32 Cb 0.50 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 1x6h h ASP 32 CO 0.00 1.59 -1.00 0.00 -2.88 0.00 0.00 179.24 176.95 1x6h h MET 33 N -0.09 0.00 -0.52 0.28 -0.00 -0.74 -3.26 114.93 110.60 1x6h h MET 33 Ca -0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.47 1x6h h MET 33 Cb 1.93 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 33.51 1x6h h MET 33 CO 0.21 0.92 0.32 1.25 -0.00 0.00 0.00 176.91 179.60 1x6h h HIS 34 N 0.00 0.68 0.53 -0.10 -0.00 -0.96 -0.33 115.15 114.97 1x6h h HIS 34 Ca -0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.32 1x6h h HIS 34 Cb 1.75 -0.22 0.01 0.00 -0.00 0.00 0.00 27.41 28.94 1x6h h HIS 34 CO 0.00 0.46 -0.25 0.35 -0.00 0.00 0.00 177.93 178.48 1x6h h PHE 35 N 0.70 -0.66 0.00 5.26 3.04 -1.64 0.25 116.94 123.88 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 -0.03 0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.70 1x6h h PHE 35 CO -0.03 -0.37 0.00 1.63 -2.02 0.00 0.00 178.31 177.52 1x6h n LYS 36 N -5.36 0.12 -0.06 1.11 4.76 -1.18 -1.54 118.16 116.01 1x6h n LYS 36 Ca -0.12 0.21 -0.06 0.00 -2.87 0.00 0.00 58.31 55.48 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 -1.30 0.36 0.04 1.97 0.63 -0.14 -1.58 116.66 116.64 1x6h n ARG 37 Ca 0.04 0.24 -0.02 0.00 -0.92 0.00 0.00 57.85 57.19 1x6h n ARG 37 Cb 0.07 -1.24 -0.01 0.00 0.45 0.00 0.00 32.46 31.73 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 -0.72 -0.11 -0.19 -0.14 -1.99 -0.52 -3.29 116.97 110.01 1x6h h TYR 38 Ca 0.00 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.78 1x6h h TYR 38 Cb 0.61 0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.37 1x6h h TYR 38 CO -0.26 -0.07 0.25 0.45 -0.00 0.00 0.00 178.16 178.53 1x6h h HIS 39 N -0.34 0.00 -3.30 4.88 3.86 -1.43 -3.37 115.15 115.46 1x6h h HIS 39 Ca -0.01 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.66 1x6h h HIS 39 Cb 0.09 0.00 -0.38 0.00 1.06 0.00 0.00 27.41 28.19 1x6h h HIS 39 CO 0.05 0.00 -0.79 0.34 0.86 0.00 0.00 177.93 178.39 1x6h s ASP 40 N -5.44 2.66 0.00 2.45 2.15 -0.69 -4.99 116.67 112.81 1x6h s ASP 40 Ca -0.04 -0.58 0.10 0.00 0.43 0.00 0.00 52.55 52.46 1x6h s ASP 40 Cb 0.14 -0.86 0.60 0.00 -0.30 0.00 0.00 42.92 42.50 1x6h s ASP 40 CO 0.50 -0.18 1.04 -0.81 -0.17 0.00 0.00 175.17 175.55 1x6h n PRO 41 N 4.91 0.49 0.09 4.34 -0.04 -1.25 -3.16 135.00 140.38 1x6h n PRO 41 Ca -0.12 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.30 1x6h n PRO 41 Cb 0.48 -1.32 -0.02 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.24 -3.98 3.54 4.21 -1.82 -3.45 115.58 113.83 1x6h h ASN 42 Ca 0.00 0.01 -0.52 0.00 1.21 0.00 0.00 56.30 57.00 1x6h h ASN 42 Cb 0.00 0.06 0.08 0.00 -1.12 0.00 0.00 38.32 37.34 1x6h h ASN 42 CO 0.00 0.03 0.54 0.12 -1.29 0.00 0.00 177.43 176.83 1x6h s PHE 43 N -2.51 2.80 -0.30 1.19 2.19 -0.61 -5.03 117.98 115.70 1x6h s PHE 43 Ca -0.04 1.48 -0.04 0.00 0.33 0.00 0.00 56.93 58.66 1x6h s PHE 43 Cb 0.00 -3.53 0.18 0.00 -1.31 0.00 0.00 43.02 38.36 1x6h s PHE 43 CO 0.12 -1.86 0.64 0.54 1.83 0.00 0.00 175.22 176.50 1x6h s VAL 44 N -1.41 -0.95 0.32 3.12 0.11 -1.26 -4.39 120.40 115.94 1x6h s VAL 44 Ca 0.62 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.38 1x6h s VAL 44 Cb -0.33 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.42 1x6h s VAL 44 CO 0.41 0.00 1.23 -2.16 -3.33 0.00 0.00 175.10 171.25 1x6h s PRO 45 N 2.86 4.44 -0.43 1.54 0.04 -1.26 -4.96 135.00 137.24 1x6h s PRO 45 Ca 0.14 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.95 1x6h s PRO 45 Cb -0.14 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.32 1x6h s PRO 45 CO -0.20 -0.06 1.49 0.00 0.04 0.00 0.00 177.00 178.27 1x6h s ALA 46 N -1.16 2.96 -0.30 8.56 0.00 -1.26 -4.98 121.76 125.57 1x6h s ALA 46 Ca 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1x6h s ALA 46 Cb -0.36 -3.99 0.06 0.00 0.00 0.00 0.00 23.12 18.83 1x6h s ALA 46 CO 0.48 -2.56 -0.01 0.00 0.00 0.00 0.00 175.76 173.67 1x6h s ALA 47 N 5.86 2.77 -0.03 0.00 0.00 -1.26 -4.33 121.76 124.78 1x6h s ALA 47 Ca 0.63 -1.90 0.05 0.00 0.00 0.00 0.00 51.96 50.74 1x6h s ALA 47 Cb -0.14 -1.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 1x6h s ALA 47 CO 0.31 -1.33 -0.20 -0.06 0.00 0.00 0.00 175.76 174.49 1x6h s PHE 48 N 1.16 1.83 -0.00 0.00 0.40 -0.95 -5.02 117.98 115.40 1x6h s PHE 48 Ca -0.04 -0.44 0.08 0.00 -0.60 0.00 0.00 56.93 55.94 1x6h s PHE 48 Cb -0.20 -1.20 -0.02 0.00 0.51 0.00 0.00 43.02 42.11 1x6h s PHE 48 CO -0.03 -0.10 -0.25 0.08 0.70 0.00 0.00 175.22 175.62 1x6h s VAL 49 N -0.25 1.98 0.39 -0.44 1.01 -1.26 0.04 120.40 121.87 1x6h s VAL 49 Ca 0.02 -1.14 -0.26 0.00 0.00 0.00 0.00 61.98 60.60 1x6h s VAL 49 Cb -0.10 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.53 1x6h s VAL 49 CO 0.01 0.49 1.22 0.00 0.00 0.00 0.00 175.10 176.82 1x6h n SER 51 N 0.20 1.29 -0.08 0.00 7.64 -1.26 -2.87 113.62 118.53 1x6h n SER 51 Ca 0.03 -1.08 -0.12 0.00 1.01 0.00 0.00 58.87 58.72 1x6h n SER 51 Cb 0.45 0.67 -0.06 0.00 -1.01 0.00 0.00 64.21 64.25 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 0.91 0.00 0.00 1.43 1.57 -1.92 -3.44 116.57 115.13 1x6h h LYS 52 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1x6h h LYS 52 Cb 0.59 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 1x6h h LYS 52 CO 0.00 0.49 -2.21 0.00 -0.57 0.00 0.00 179.45 177.17 1x6h n GLY 54 N 1.95 1.37 3.97 0.00 0.00 -1.14 -4.32 105.19 107.02 1x6h n GLY 54 Ca -0.41 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 2.23 -0.07 1.61 1.02 -1.26 -4.74 119.74 118.40 1x6h s LYS 55 Ca 0.00 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.21 1x6h s LYS 55 Cb 0.00 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.89 1x6h s LYS 55 CO 0.00 -1.02 -0.10 0.95 -0.92 0.00 0.00 175.35 174.27 1x6h s THR 56 N -2.95 3.43 -0.08 2.17 -4.23 -1.26 -0.65 115.64 112.07 1x6h s THR 56 Ca 0.60 -0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 60.52 1x6h s THR 56 Cb -0.09 -2.39 0.03 0.00 1.34 0.00 0.00 72.50 71.39 1x6h s THR 56 CO 0.41 0.58 0.01 -0.36 -0.54 0.00 0.00 174.62 174.73 1x6h s PHE 57 N -0.60 0.63 0.38 3.99 0.40 0.11 -4.98 117.98 117.91 1x6h s PHE 57 Ca 0.09 -0.20 0.10 0.00 -0.60 0.00 0.00 56.93 56.32 1x6h s PHE 57 Cb -0.12 -0.79 0.87 0.00 0.51 0.00 0.00 43.02 43.50 1x6h s PHE 57 CO 0.02 -0.35 1.92 1.79 0.70 0.00 0.00 175.22 179.30 1x6h h THR 58 N 6.36 0.90 -3.32 0.64 1.35 -1.82 -2.53 112.91 114.48 1x6h h THR 58 Ca -0.18 -0.21 -0.65 0.00 -0.55 0.00 0.00 66.41 64.82 1x6h h THR 58 Cb 1.12 0.23 -0.13 0.00 -1.73 0.00 0.00 68.15 67.65 1x6h h THR 58 CO 0.26 0.11 -0.68 -0.13 -0.25 0.00 0.00 175.52 174.83 1x6h s ARG 59 N -5.58 2.40 -0.09 4.72 0.52 -1.26 -4.27 118.95 115.39 1x6h s ARG 59 Ca -0.09 -0.94 -0.08 0.00 -0.52 0.00 0.00 55.73 54.10 1x6h s ARG 59 Cb 0.21 -2.44 -0.06 0.00 0.52 0.00 0.00 34.95 33.18 1x6h s ARG 59 CO 0.77 0.51 0.28 -0.09 0.02 0.00 0.00 175.30 176.79 1x6h h ARG 60 N 3.34 -0.13 -0.96 3.54 2.43 -1.91 -3.05 114.38 117.65 1x6h h ARG 60 Ca -0.48 0.01 0.31 0.00 -0.81 0.00 0.00 59.98 59.01 1x6h h ARG 60 Cb 1.17 0.03 -0.16 0.00 -0.42 0.00 0.00 29.97 30.59 1x6h h ARG 60 CO 0.57 0.04 0.32 -0.97 -1.51 0.00 0.00 179.97 178.42 1x6h h ASN 61 N -1.02 0.04 -0.64 -3.80 -0.73 -1.98 0.86 115.58 108.31 1x6h h ASN 61 Ca -0.01 0.23 -0.08 0.00 1.87 0.00 0.00 56.30 58.31 1x6h h ASN 61 Cb 0.23 0.30 -0.02 0.00 0.27 0.00 0.00 38.32 39.10 1x6h h ASN 61 CO 0.02 -0.28 0.07 0.74 -0.37 0.00 0.00 177.43 177.62 1x6h h THR 62 N 0.12 1.26 0.03 -3.57 2.02 -1.99 -2.79 112.91 108.00 1x6h h THR 62 Ca 0.67 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 1x6h h THR 62 Cb 1.53 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1x6h h THR 62 CO -0.75 0.40 -0.01 -0.03 0.37 0.00 0.00 175.52 175.50 1x6h h MET 63 N 1.00 -0.04 -0.39 6.66 1.85 0.70 -2.10 114.93 122.61 1x6h h MET 63 Ca 0.19 0.00 0.07 0.00 -0.61 0.00 0.00 59.70 59.35 1x6h h MET 63 Cb 0.48 0.01 -0.09 0.00 0.43 0.00 0.00 31.60 32.43 1x6h h MET 63 CO 0.02 0.35 -0.43 0.00 -0.40 0.00 0.00 176.91 176.45 1x6h h ALA 64 N 0.52 -0.43 -0.60 0.39 0.00 -0.63 -0.47 119.26 118.05 1x6h h ALA 64 Ca -0.00 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1x6h h ALA 64 Cb 0.40 0.88 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1x6h h ALA 64 CO 0.01 -0.86 0.37 0.00 0.00 0.00 0.00 179.25 178.76 1x6h h ARG 65 N -0.33 0.72 -0.87 0.00 3.08 -1.55 -2.28 114.38 113.14 1x6h h ARG 65 Ca 0.14 -0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.29 1x6h h ARG 65 Cb 0.58 -0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.38 1x6h h ARG 65 CO -0.56 0.48 0.46 1.25 -1.07 0.00 0.00 179.97 180.52 1x6h h HIS 66 N 0.74 0.81 -0.32 3.04 2.76 -0.45 -1.62 115.15 120.10 1x6h h HIS 66 Ca 0.24 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.51 1x6h h HIS 66 Cb -0.00 -0.23 -0.07 0.00 1.55 0.00 0.00 27.41 28.66 1x6h h HIS 66 CO -0.05 0.19 -0.15 0.00 -1.30 0.00 0.00 177.93 176.62 1x6h h ALA 67 N 1.57 0.11 -0.56 5.26 0.00 -0.53 0.29 119.26 125.39 1x6h h ALA 67 Ca 0.48 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.58 1x6h h ALA 67 Cb 0.68 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 1x6h h ALA 67 CO -0.36 -0.53 -0.49 -0.44 0.00 0.00 0.00 179.25 177.42 1x6h h ASP 68 N -0.10 -1.69 1.01 0.00 3.32 -1.29 0.54 116.42 118.21 1x6h h ASP 68 Ca 0.16 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1x6h h ASP 68 Cb 0.35 0.74 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1x6h h ASP 68 CO -0.39 -0.35 0.00 0.78 -1.72 0.00 0.00 179.24 177.56 1x6h h ASN 69 N -0.26 0.00 -4.21 6.45 2.35 -1.44 -3.44 115.58 115.03 1x6h h ASN 69 Ca 0.14 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.42 1x6h h ASN 69 Cb 0.56 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.95 1x6h h ASN 69 CO -0.68 0.00 0.38 0.00 -1.65 0.00 0.00 177.43 175.48 1x6h n ALA 71 N -1.69 2.37 0.00 0.00 0.00 -1.26 -4.89 120.51 115.03 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 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 2.45 -1.16 3.77 0.00 0.00 -1.26 -4.75 105.19 104.23 1x6h n GLY 72 Ca 0.00 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 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 3.30 -0.12 1.61 0.04 -1.23 -4.47 135.00 132.58 1x6h s PRO 73 Ca 0.00 1.59 -0.10 0.00 0.04 0.00 0.00 61.00 62.53 1x6h s PRO 73 Cb 0.00 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 1x6h s PRO 73 CO 0.00 -0.89 -0.22 -0.40 0.04 0.00 0.00 177.00 175.53 1x6h n ASP 74 N -1.42 1.43 0.00 6.66 5.75 -1.26 -5.04 116.55 122.66 1x6h n ASP 74 Ca 0.11 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 1x6h n ASP 74 Cb 0.51 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1x6h n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x6h n GLY 75 N 2.08 3.69 3.65 6.12 0.00 -1.26 -5.18 105.19 114.28 1x6h n GLY 75 Ca -0.21 -0.76 -0.03 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 0.00 0.27 1.61 0.11 -1.26 -5.19 120.40 115.95 1x6h s VAL 76 Ca 0.00 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.84 1x6h s VAL 76 Cb 0.00 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 1x6h s VAL 76 CO 0.00 0.00 0.73 -1.61 -3.33 0.00 0.00 175.10 170.89 1x6h s GLU 77 N 0.62 1.77 0.00 1.54 8.01 -1.26 -5.16 118.70 124.21 1x6h s GLU 77 Ca -0.01 -0.98 0.00 0.00 0.01 0.00 0.00 54.97 53.99 1x6h s GLU 77 Cb -0.04 0.60 0.00 0.00 -4.31 0.00 0.00 34.13 30.38 1x6h s GLU 77 CO -0.12 -0.81 0.00 0.41 0.01 0.00 0.00 175.26 174.75 1x6h n GLY 78 N -0.46 2.88 3.44 -1.39 0.00 -1.26 -5.18 105.19 103.22 1x6h n GLY 78 Ca -0.04 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.10 0.60 -0.30 1.61 -1.05 -1.26 -5.16 118.70 112.05 1x6h s GLU 79 Ca 0.00 0.82 -0.16 0.00 -0.15 0.00 0.00 54.97 55.48 1x6h s GLU 79 Cb 0.00 0.23 0.18 0.00 -0.44 0.00 0.00 34.13 34.11 1x6h s GLU 79 CO 0.00 -0.10 1.14 0.54 0.95 0.00 0.00 175.26 177.80 1x6h s ASN 80 N 0.64 -0.26 0.15 0.83 2.20 -1.26 -5.05 114.94 112.19 1x6h s ASN 80 Ca -0.03 0.40 -0.18 0.00 -0.94 0.00 0.00 52.86 52.11 1x6h s ASN 80 Cb -0.05 1.15 0.03 0.00 -2.00 0.00 0.00 41.25 40.38 1x6h s ASN 80 CO -0.04 -0.06 1.70 0.28 -2.94 0.00 0.00 177.10 176.04 1x6h h SER 81 N 5.85 -0.17 -5.55 3.54 0.02 -2.07 -3.47 113.55 111.70 1x6h h SER 81 Ca -0.25 0.07 -0.21 0.00 -0.84 0.00 0.00 61.79 60.57 1x6h h SER 81 Cb 1.16 0.14 0.13 0.00 0.14 0.00 0.00 62.40 63.97 1x6h h SER 81 CO 0.19 -0.05 -0.64 0.61 -1.14 0.00 0.00 176.83 175.80 1x6h n GLY 82 N -1.23 -1.17 3.72 -3.77 0.00 -1.26 -4.98 105.19 96.49 1x6h n GLY 82 Ca -0.00 0.54 -0.30 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.20 1.34 0.22 1.61 0.04 -1.26 -5.08 135.00 127.67 1x6h s PRO 83 Ca 0.33 0.84 -0.23 0.00 0.04 0.00 0.00 61.00 61.98 1x6h s PRO 83 Cb -0.05 -1.82 0.05 0.00 0.04 0.00 0.00 34.50 32.71 1x6h s PRO 83 CO 0.76 -2.19 0.86 -1.54 0.04 0.00 0.00 177.00 174.93 1x6h s SER 84 N -3.42 -0.20 0.23 6.66 1.04 -1.26 -5.19 113.70 111.56 1x6h s SER 84 Ca 0.63 -0.53 -0.15 0.00 0.48 0.00 0.00 55.95 56.38 1x6h s SER 84 Cb -0.18 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.55 1x6h s SER 84 CO 0.57 -1.12 0.51 -0.55 0.98 0.00 0.00 173.24 173.63 1x6h s SER 85 N -2.96 -0.15 0.00 7.02 0.15 -1.26 -5.33 113.70 111.17 1x6h s SER 85 Ca 0.12 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1x6h s SER 85 Cb -0.03 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1x6h s SER 85 CO 0.05 -1.14 0.00 0.61 1.20 0.00 0.00 173.24 173.96