#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6h h SER 2 N 0.00 -0.16 -6.26 1.61 0.02 -2.10 -3.47 113.55 103.19 1x6h h SER 2 Ca 0.00 -0.39 -0.46 0.00 -0.84 0.00 0.00 61.79 60.09 1x6h h SER 2 Cb 0.00 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1x6h h SER 2 CO 0.00 0.39 -0.78 -1.20 -1.14 0.00 0.00 176.83 174.10 1x6h n SER 3 N -4.91 -3.77 -4.91 3.07 7.64 -1.26 -4.98 113.62 104.50 1x6h n SER 3 Ca -0.08 -0.80 -0.25 0.00 1.01 0.00 0.00 58.87 58.76 1x6h n SER 3 Cb 0.27 -3.90 -0.00 0.00 -1.01 0.00 0.00 64.21 59.57 1x6h n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x6h s GLY 4 N -3.60 2.26 -0.48 0.23 0.00 -1.26 -5.06 107.32 99.40 1x6h s GLY 4 Ca 0.48 -1.49 -0.29 0.00 0.00 0.00 0.00 44.72 43.42 1x6h s GLY 4 CO 0.83 -1.87 1.26 -0.56 0.00 0.00 0.00 173.10 172.76 1x6h s SER 5 N -4.29 6.45 0.31 1.64 0.01 -1.26 -4.97 113.70 111.59 1x6h s SER 5 Ca 0.40 0.50 -0.01 0.00 1.31 0.00 0.00 55.95 58.14 1x6h s SER 5 Cb -0.02 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1x6h s SER 5 CO 0.24 -1.40 0.38 -0.94 0.41 0.00 0.00 173.24 171.93 1x6h s SER 6 N 3.23 0.84 0.00 2.44 1.04 -1.26 -5.16 113.70 114.83 1x6h s SER 6 Ca 0.52 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1x6h s SER 6 Cb -0.10 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1x6h s SER 6 CO 0.31 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1x6h n GLY 7 N -0.51 1.38 3.03 7.32 0.00 -1.26 -5.02 105.19 110.13 1x6h n GLY 7 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -3.94 0.02 1.61 1.74 -1.26 -4.95 116.66 109.89 1x6h n ARG 8 Ca 0.00 0.73 -0.02 0.00 -0.77 0.00 0.00 57.85 57.80 1x6h n ARG 8 Cb 0.00 -5.29 -0.09 0.00 -1.02 0.00 0.00 32.46 26.06 1x6h n ARG 8 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1x6h n THR 9 N -3.35 1.25 -1.63 0.55 -2.24 -1.26 -4.58 114.28 103.03 1x6h n THR 9 Ca -0.16 -0.71 -0.40 0.00 -2.27 0.00 0.00 64.05 60.51 1x6h n THR 9 Cb 0.63 -0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 1x6h n THR 9 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1x6h s HIS 10 N -2.86 1.18 0.45 4.78 5.65 -1.26 -4.93 115.29 118.29 1x6h s HIS 10 Ca -0.03 1.00 0.03 0.00 0.25 0.00 0.00 55.06 56.31 1x6h s HIS 10 Cb 0.09 -3.79 -0.02 0.00 -1.18 0.00 0.00 32.58 27.67 1x6h s HIS 10 CO 0.81 -3.27 0.08 0.95 -0.65 0.00 0.00 174.74 172.66 1x6h s THR 11 N 9.97 0.84 0.00 0.89 -4.23 -1.26 -5.02 115.64 116.82 1x6h s THR 11 Ca 0.97 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1x6h s THR 11 Cb -0.25 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1x6h s THR 11 CO 0.30 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 1x6h n GLY 12 N -1.04 4.92 3.87 3.99 0.00 -1.26 -5.16 105.19 110.51 1x6h n GLY 12 Ca -0.11 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 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 2.21 3.70 -0.39 1.61 -6.30 -1.26 -5.06 118.70 113.22 1x6h s GLU 13 Ca 0.00 0.09 0.02 0.00 -2.50 0.00 0.00 54.97 52.59 1x6h s GLU 13 Cb 0.00 -3.02 0.11 0.00 0.00 0.00 0.00 34.13 31.22 1x6h s GLU 13 CO 0.00 0.59 0.14 0.15 0.02 0.00 0.00 175.26 176.16 1x6h s LYS 14 N -1.86 1.29 0.51 4.30 1.02 -1.26 -4.51 119.74 119.22 1x6h s LYS 14 Ca 0.31 -1.80 0.30 0.00 0.02 0.00 0.00 55.97 54.80 1x6h s LYS 14 Cb -0.14 -2.65 1.24 0.00 -0.52 0.00 0.00 37.83 35.76 1x6h s LYS 14 CO 0.18 -1.04 1.95 -1.00 -0.92 0.00 0.00 175.35 174.52 1x6h h PRO 15 N 7.35 0.00 -5.82 -1.68 0.13 -1.82 -3.40 132.00 126.75 1x6h h PRO 15 Ca -0.07 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.45 1x6h h PRO 15 Cb 0.97 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.98 1x6h h PRO 15 CO 0.52 0.10 0.56 0.71 -0.23 0.00 0.00 178.00 179.66 1x6h s TYR 16 N -3.74 2.79 -0.26 1.56 1.51 -1.08 -4.97 117.35 113.16 1x6h s TYR 16 Ca 0.00 -0.05 -0.03 0.00 -1.01 0.00 0.00 57.07 55.98 1x6h s TYR 16 Cb 0.10 -4.08 0.02 0.00 -0.11 0.00 0.00 41.96 37.89 1x6h s TYR 16 CO 0.58 -1.37 -0.03 0.00 -1.11 0.00 0.00 175.55 173.62 1x6h s ALA 17 N 3.95 2.80 0.34 3.71 0.00 -1.26 0.40 121.76 131.70 1x6h s ALA 17 Ca 0.30 -1.43 -0.27 0.00 0.00 0.00 0.00 51.96 50.56 1x6h s ALA 17 Cb -0.13 -1.80 -0.13 0.00 0.00 0.00 0.00 23.12 21.07 1x6h s ALA 17 CO 0.19 -0.80 1.07 0.00 0.00 0.00 0.00 175.76 176.22 1x6h h SER 19 N 1.97 0.00 -0.84 0.00 0.87 -1.98 -3.36 113.55 110.22 1x6h h SER 19 Ca -0.43 -0.76 0.14 0.00 -1.23 0.00 0.00 61.79 59.52 1x6h h SER 19 Cb 1.33 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.19 1x6h h SER 19 CO 0.60 1.09 0.42 0.45 -0.53 0.00 0.00 176.83 178.86 1x6h h HIS 20 N -1.00 0.73 -4.65 2.24 3.86 -1.99 -3.43 115.15 110.91 1x6h h HIS 20 Ca -0.10 0.03 -0.43 0.00 -1.16 0.00 0.00 60.37 58.72 1x6h h HIS 20 Cb 1.00 -0.20 -0.08 0.00 1.06 0.00 0.00 27.41 29.18 1x6h h HIS 20 CO 0.19 0.17 -0.31 0.00 0.86 0.00 0.00 177.93 178.84 1x6h n ASP 22 N -1.25 6.69 -4.71 0.00 2.03 -1.26 -4.44 116.55 113.60 1x6h n ASP 22 Ca -0.13 -3.80 -0.25 0.00 0.52 0.00 0.00 54.79 51.13 1x6h n ASP 22 Cb 0.42 -0.88 -0.07 0.00 -0.72 0.00 0.00 41.12 39.88 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 -3.91 2.57 0.12 -0.67 -0.14 -1.26 -4.97 119.74 111.48 1x6h s LYS 23 Ca 0.51 -1.12 0.05 0.00 -1.36 0.00 0.00 55.97 54.05 1x6h s LYS 23 Cb 0.43 -2.41 -0.04 0.00 -1.68 0.00 0.00 37.83 34.14 1x6h s LYS 23 CO -0.33 0.43 -0.12 0.95 -0.76 0.00 0.00 175.35 175.52 1x6h s THR 24 N -1.94 1.18 0.00 2.17 -4.23 -1.26 -0.00 115.64 111.56 1x6h s THR 24 Ca 0.30 -1.73 -0.11 0.00 -1.18 0.00 0.00 61.69 58.98 1x6h s THR 24 Cb -0.09 -1.50 0.01 0.00 1.34 0.00 0.00 72.50 72.26 1x6h s THR 24 CO 0.21 -0.50 0.21 -0.36 -0.54 0.00 0.00 174.62 173.64 1x6h s PHE 25 N -2.37 -0.04 -0.04 3.99 0.40 0.16 -4.98 117.98 115.11 1x6h s PHE 25 Ca 0.09 -0.01 -0.22 0.00 -0.60 0.00 0.00 56.93 56.19 1x6h s PHE 25 Cb -0.03 0.01 -0.16 0.00 0.51 0.00 0.00 43.02 43.35 1x6h s PHE 25 CO 0.02 -0.35 0.92 0.07 0.70 0.00 0.00 175.22 176.58 1x6h h ARG 26 N 3.97 -0.24 -5.71 0.44 0.11 -1.86 -2.87 114.38 108.22 1x6h h ARG 26 Ca -0.31 0.02 -0.67 0.00 0.10 0.00 0.00 59.98 59.12 1x6h h ARG 26 Cb 1.19 0.05 -0.11 0.00 1.11 0.00 0.00 29.97 32.21 1x6h h ARG 26 CO 0.42 0.18 -0.54 -0.65 0.10 0.00 0.00 179.97 179.47 1x6h s GLN 27 N -3.60 3.35 0.40 0.08 -1.52 -1.26 -4.63 119.66 112.48 1x6h s GLN 27 Ca -0.13 -0.26 0.16 0.00 -1.95 0.00 0.00 55.36 53.19 1x6h s GLN 27 Cb 0.01 -3.05 1.04 0.00 -0.22 0.00 0.00 33.01 30.79 1x6h s GLN 27 CO 0.48 0.69 1.83 -0.22 -0.25 0.00 0.00 175.29 177.81 1x6h h LYS 28 N 5.27 0.44 -0.65 2.91 1.63 -1.97 -0.66 116.57 123.54 1x6h h LYS 28 Ca -0.51 -0.03 0.13 0.00 -0.85 0.00 0.00 60.65 59.40 1x6h h LYS 28 Cb 1.21 -0.10 -0.10 0.00 -0.60 0.00 0.00 32.23 32.64 1x6h h LYS 28 CO 0.58 0.29 0.07 0.37 -3.45 0.00 0.00 179.45 177.32 1x6h h GLN 29 N 0.45 0.18 0.29 1.90 4.15 -1.98 0.34 115.11 120.45 1x6h h GLN 29 Ca 0.51 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.91 1x6h h GLN 29 Cb 1.21 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.86 1x6h h GLN 29 CO -0.23 0.12 -0.16 -0.07 -1.93 0.00 0.00 178.83 176.56 1x6h h LEU 30 N 0.18 -0.38 -2.44 -2.39 -0.00 -1.53 -0.86 115.31 107.89 1x6h h LEU 30 Ca 0.35 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 58.24 1x6h h LEU 30 Cb 0.56 0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1x6h h LEU 30 CO -0.50 -0.26 -0.02 0.25 -0.00 0.00 0.00 178.44 177.91 1x6h h LEU 31 N -0.42 0.00 0.00 1.67 5.85 -1.30 0.22 115.31 121.33 1x6h h LEU 31 Ca -0.04 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1x6h h LEU 31 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1x6h h LEU 31 CO 0.05 0.02 -0.01 -0.78 -0.34 0.00 0.00 178.44 177.38 1x6h h ASP 32 N 0.00 0.01 -0.08 1.25 3.58 0.49 -3.23 116.42 118.43 1x6h h ASP 32 Ca -0.00 -0.81 -0.15 0.00 0.42 0.00 0.00 57.03 56.49 1x6h h ASP 32 Cb 0.17 -0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.22 1x6h h ASP 32 CO 0.00 0.82 -0.52 0.00 -2.88 0.00 0.00 179.24 176.66 1x6h h MET 33 N -0.80 0.50 -1.08 0.28 -0.00 -0.86 -3.15 114.93 109.82 1x6h h MET 33 Ca -0.00 -0.43 0.31 0.00 -0.00 0.00 0.00 59.70 59.58 1x6h h MET 33 Cb 0.82 0.10 -0.12 0.00 -0.00 0.00 0.00 31.60 32.40 1x6h h MET 33 CO 0.00 1.06 0.67 1.25 -0.00 0.00 0.00 176.91 179.90 1x6h h HIS 34 N 0.07 0.75 0.46 -0.10 -0.00 -0.71 1.07 115.15 116.69 1x6h h HIS 34 Ca -0.04 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 1x6h h HIS 34 Cb 1.18 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.39 1x6h h HIS 34 CO 0.12 -0.04 -0.22 0.35 -0.00 0.00 0.00 177.93 178.14 1x6h h PHE 35 N 0.35 -0.57 0.00 5.26 3.04 -1.57 0.44 116.94 123.89 1x6h h PHE 35 Ca 0.68 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.61 1x6h h PHE 35 Cb 1.71 0.19 0.00 0.00 2.56 0.00 0.00 35.95 40.41 1x6h h PHE 35 CO -0.01 -0.35 0.00 1.63 -2.02 0.00 0.00 178.31 177.56 1x6h n LYS 36 N -5.01 0.04 -0.06 1.11 4.76 -0.67 -1.52 118.16 116.81 1x6h n LYS 36 Ca -0.08 0.31 -0.06 0.00 -2.87 0.00 0.00 58.31 55.61 1x6h n LYS 36 Cb 0.24 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.91 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 -1.43 0.37 0.13 1.97 0.63 0.36 -2.68 116.66 116.00 1x6h n ARG 37 Ca 0.03 0.20 -0.05 0.00 -0.92 0.00 0.00 57.85 57.10 1x6h n ARG 37 Cb 0.09 -1.20 -0.03 0.00 0.45 0.00 0.00 32.46 31.77 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 -0.71 -0.32 0.00 -0.14 -1.99 -0.12 -2.94 116.97 110.76 1x6h h TYR 38 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1x6h h TYR 38 Cb 0.65 0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.49 1x6h h TYR 38 CO -0.28 -0.20 0.05 0.72 -0.00 0.00 0.00 178.16 178.45 1x6h n HIS 39 N -3.31 0.15 -3.37 4.88 8.25 -0.57 -4.17 115.22 117.08 1x6h n HIS 39 Ca -0.04 0.08 -0.08 0.00 -0.26 0.00 0.00 57.72 57.42 1x6h n HIS 39 Cb 0.14 -0.58 -0.08 0.00 1.12 0.00 0.00 29.99 30.59 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 -3.13 0.07 0.00 0.41 2.15 -1.12 -4.99 116.67 110.05 1x6h s ASP 40 Ca -0.00 0.36 0.06 0.00 0.43 0.00 0.00 52.55 53.39 1x6h s ASP 40 Cb 0.01 1.22 0.34 0.00 -0.30 0.00 0.00 42.92 44.19 1x6h s ASP 40 CO 0.04 -0.29 0.80 -0.81 -0.17 0.00 0.00 175.17 174.74 1x6h n PRO 41 N 5.37 0.49 0.17 4.34 -0.04 -1.12 -3.08 135.00 141.13 1x6h n PRO 41 Ca -0.04 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.34 1x6h n PRO 41 Cb 0.50 -1.18 -0.04 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.42 -2.73 3.54 2.35 -1.81 -3.45 115.58 113.06 1x6h h ASN 42 Ca 0.00 0.01 -0.59 0.00 -0.55 0.00 0.00 56.30 55.17 1x6h h ASN 42 Cb 0.00 0.11 0.14 0.00 0.05 0.00 0.00 38.32 38.62 1x6h h ASN 42 CO 0.00 -0.03 -0.10 0.33 -1.65 0.00 0.00 177.43 175.98 1x6h n PHE 43 N -4.84 0.38 -3.15 1.19 -0.00 -1.09 -5.00 117.46 104.95 1x6h n PHE 43 Ca -0.06 0.58 0.04 0.00 -0.00 0.00 0.00 57.45 58.01 1x6h n PHE 43 Cb 0.19 -2.11 -0.01 0.00 -0.00 0.00 0.00 39.48 37.55 1x6h n PHE 43 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1x6h s VAL 44 N -1.37 -0.89 0.35 -2.13 0.11 -1.26 -4.78 120.40 110.44 1x6h s VAL 44 Ca 0.64 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.42 1x6h s VAL 44 Cb -0.58 -0.98 -0.09 0.00 -1.53 0.00 0.00 36.38 33.20 1x6h s VAL 44 CO 0.57 0.00 1.21 -2.16 -3.33 0.00 0.00 175.10 171.39 1x6h s PRO 45 N 2.87 4.29 -0.47 1.54 0.04 -1.26 -4.96 135.00 137.06 1x6h s PRO 45 Ca 0.17 1.99 -0.28 0.00 0.04 0.00 0.00 61.00 62.91 1x6h s PRO 45 Cb -0.13 -2.94 0.01 0.00 0.04 0.00 0.00 34.50 31.47 1x6h s PRO 45 CO -0.20 -0.16 1.48 0.00 0.04 0.00 0.00 177.00 178.16 1x6h s ALA 46 N -1.25 2.89 -0.34 8.56 0.00 -1.26 -4.98 121.76 125.38 1x6h s ALA 46 Ca 0.51 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 1x6h s ALA 46 Cb -0.35 -4.03 0.06 0.00 0.00 0.00 0.00 23.12 18.80 1x6h s ALA 46 CO 0.45 -2.71 0.09 0.00 0.00 0.00 0.00 175.76 173.59 1x6h s ALA 47 N 6.05 2.98 -0.09 0.00 0.00 -1.26 -4.56 121.76 124.88 1x6h s ALA 47 Ca 0.61 -1.92 0.01 0.00 0.00 0.00 0.00 51.96 50.66 1x6h s ALA 47 Cb -0.13 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.83 1x6h s ALA 47 CO 0.29 -1.41 -0.12 -0.06 0.00 0.00 0.00 175.76 174.46 1x6h s PHE 48 N 1.29 1.63 -0.07 0.00 0.40 -1.06 -5.03 117.98 115.14 1x6h s PHE 48 Ca -0.01 -0.71 0.03 0.00 -0.60 0.00 0.00 56.93 55.64 1x6h s PHE 48 Cb -0.20 -1.22 -0.02 0.00 0.51 0.00 0.00 43.02 42.08 1x6h s PHE 48 CO -0.00 -0.39 -0.13 0.08 0.70 0.00 0.00 175.22 175.47 1x6h s VAL 49 N 1.01 3.12 1.14 -0.44 1.01 -1.26 0.25 120.40 125.23 1x6h s VAL 49 Ca -0.08 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 1x6h s VAL 49 Cb -0.15 -2.24 0.21 0.00 0.00 0.00 0.00 36.38 34.20 1x6h s VAL 49 CO -0.01 0.58 0.67 0.00 0.00 0.00 0.00 175.10 176.34 1x6h n SER 51 N -3.72 2.39 -0.04 0.00 2.88 -1.26 -3.97 113.62 109.91 1x6h n SER 51 Ca 0.03 -0.26 -0.20 0.00 -1.33 0.00 0.00 58.87 57.10 1x6h n SER 51 Cb 0.56 1.06 -0.13 0.00 -0.75 0.00 0.00 64.21 64.95 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 0.13 0.00 -1.46 1.57 -1.94 -3.43 116.57 111.44 1x6h h LYS 52 Ca 0.00 -0.22 -0.25 0.00 -1.87 0.00 0.00 60.65 58.31 1x6h h LYS 52 Cb 0.08 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1x6h h LYS 52 CO 0.00 1.11 -1.86 0.00 -0.57 0.00 0.00 179.45 178.13 1x6h n GLY 54 N 2.17 1.79 3.85 0.00 0.00 -1.25 -4.42 105.19 107.33 1x6h n GLY 54 Ca -0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.09 1.71 -0.07 1.61 1.02 -1.26 -4.65 119.74 118.00 1x6h s LYS 55 Ca 0.00 0.24 -0.01 0.00 0.02 0.00 0.00 55.97 56.22 1x6h s LYS 55 Cb 0.00 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.37 1x6h s LYS 55 CO 0.00 -1.80 0.00 0.95 -0.92 0.00 0.00 175.35 173.58 1x6h s THR 56 N -3.42 4.27 0.03 2.17 -4.23 -1.26 -0.48 115.64 112.73 1x6h s THR 56 Ca 0.62 -0.31 0.03 0.00 -1.18 0.00 0.00 61.69 60.85 1x6h s THR 56 Cb -0.13 -2.81 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 1x6h s THR 56 CO 0.51 0.57 -0.09 -0.36 -0.54 0.00 0.00 174.62 174.71 1x6h s PHE 57 N -0.92 0.78 0.05 3.99 0.40 0.14 -4.96 117.98 117.46 1x6h s PHE 57 Ca 0.14 -0.38 0.07 0.00 -0.60 0.00 0.00 56.93 56.16 1x6h s PHE 57 Cb -0.11 -0.47 -0.23 0.00 0.51 0.00 0.00 43.02 42.72 1x6h s PHE 57 CO 0.04 -0.03 1.03 1.15 0.70 0.00 0.00 175.22 178.10 1x6h h THR 58 N 4.59 1.37 -3.30 0.64 2.02 -1.82 -2.81 112.91 113.59 1x6h h THR 58 Ca -0.35 -3.11 -0.67 0.00 0.77 0.00 0.00 66.41 63.05 1x6h h THR 58 Cb 1.19 2.70 -0.30 0.00 -1.74 0.00 0.00 68.15 70.01 1x6h h THR 58 CO 0.43 0.80 -0.81 0.00 0.37 0.00 0.00 175.52 176.31 1x6h s ARG 59 N -2.66 3.22 0.02 6.66 3.03 -1.26 -4.64 118.95 123.31 1x6h s ARG 59 Ca -0.02 -0.76 -0.20 0.00 2.03 0.00 0.00 55.73 56.78 1x6h s ARG 59 Cb 0.09 -2.55 -0.11 0.00 -1.03 0.00 0.00 34.95 31.35 1x6h s ARG 59 CO 0.83 0.10 1.15 -0.09 -1.13 0.00 0.00 175.30 176.16 1x6h h ARG 60 N 7.03 -0.69 -1.06 3.89 2.43 -1.93 -0.84 114.38 123.22 1x6h h ARG 60 Ca -0.28 0.05 0.38 0.00 -0.81 0.00 0.00 59.98 59.32 1x6h h ARG 60 Cb 1.21 0.16 -0.12 0.00 -0.42 0.00 0.00 29.97 30.79 1x6h h ARG 60 CO 0.54 -0.46 0.65 0.27 -1.51 0.00 0.00 179.97 179.47 1x6h n ASN 61 N -4.15 0.21 0.04 -3.80 0.23 -1.26 0.18 115.26 106.70 1x6h n ASN 61 Ca -0.09 1.21 -0.19 0.00 -0.53 0.00 0.00 54.58 54.98 1x6h n ASN 61 Cb 0.28 -0.59 -0.13 0.00 -2.08 0.00 0.00 39.78 37.25 1x6h n ASN 61 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1x6h h THR 62 N 0.00 1.47 -0.43 5.53 2.02 -1.95 -3.16 112.91 116.39 1x6h h THR 62 Ca 0.72 -2.35 0.04 0.00 0.77 0.00 0.00 66.41 65.59 1x6h h THR 62 Cb 2.22 2.94 -0.04 0.00 -1.74 0.00 0.00 68.15 71.53 1x6h h THR 62 CO -0.46 0.68 0.19 -0.03 0.37 0.00 0.00 175.52 176.27 1x6h h MET 63 N -0.23 0.37 -0.46 6.66 4.05 0.34 -0.74 114.93 124.92 1x6h h MET 63 Ca -0.12 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.33 1x6h h MET 63 Cb 1.53 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 32.20 1x6h h MET 63 CO 0.14 0.25 0.20 0.00 0.23 0.00 0.00 176.91 177.73 1x6h h ALA 64 N 1.25 0.57 0.08 0.39 0.00 -1.06 -2.70 119.26 117.79 1x6h h ALA 64 Ca 0.19 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1x6h h ALA 64 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1x6h h ALA 64 CO -0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 179.25 178.87 1x6h h ARG 65 N 0.39 -0.11 -1.00 0.00 3.08 -1.40 -2.71 114.38 112.64 1x6h h ARG 65 Ca 0.21 0.01 0.32 0.00 0.07 0.00 0.00 59.98 60.58 1x6h h ARG 65 Cb 0.17 0.02 -0.15 0.00 0.08 0.00 0.00 29.97 30.09 1x6h h ARG 65 CO -0.18 0.00 0.57 1.25 -1.07 0.00 0.00 179.97 180.54 1x6h h HIS 66 N -0.19 0.93 -0.77 3.04 2.76 -0.85 0.28 115.15 120.34 1x6h h HIS 66 Ca -0.01 0.04 0.17 0.00 -2.20 0.00 0.00 60.37 58.37 1x6h h HIS 66 Cb 0.16 -0.25 -0.11 0.00 1.55 0.00 0.00 27.41 28.76 1x6h h HIS 66 CO -0.05 -0.16 0.21 0.00 -1.30 0.00 0.00 177.93 176.64 1x6h h ALA 67 N 1.84 1.04 -0.37 5.26 0.00 -1.17 1.06 119.26 126.92 1x6h h ALA 67 Ca 0.73 0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.87 1x6h h ALA 67 Cb 1.63 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.59 1x6h h ALA 67 CO -0.60 -0.34 -0.00 0.22 0.00 0.00 0.00 179.25 178.53 1x6h h ASP 68 N 0.29 -0.16 -0.10 0.00 1.82 -0.53 -0.24 116.42 117.51 1x6h h ASP 68 Ca 0.45 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 57.17 1x6h h ASP 68 Cb 0.78 0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.95 1x6h h ASP 68 CO -0.52 -0.04 0.00 0.59 -1.61 0.00 0.00 179.24 177.65 1x6h n ASN 69 N -5.19 1.55 -4.74 2.28 4.13 -0.20 -4.89 115.26 108.20 1x6h n ASN 69 Ca 0.02 -1.60 -0.41 0.00 1.68 0.00 0.00 54.58 54.27 1x6h n ASN 69 Cb 0.19 -0.06 -0.05 0.00 -1.54 0.00 0.00 39.78 38.33 1x6h n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x6h n ALA 71 N 2.32 1.13 0.00 0.00 0.00 -1.26 -4.94 120.51 117.76 1x6h n ALA 71 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1x6h n ALA 71 Cb 0.48 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 1.87 -0.32 3.55 0.00 0.00 -1.26 -4.93 105.19 104.10 1x6h n GLY 72 Ca -0.41 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 43.88 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 2.63 -0.30 1.61 0.04 -1.25 -4.45 135.00 131.28 1x6h s PRO 73 Ca 0.00 0.62 -0.16 0.00 0.04 0.00 0.00 61.00 61.49 1x6h s PRO 73 Cb 0.00 -4.39 0.18 0.00 0.04 0.00 0.00 34.50 30.33 1x6h s PRO 73 CO 0.00 -2.72 1.12 0.16 0.04 0.00 0.00 177.00 175.59 1x6h s ASP 74 N 8.07 -0.32 0.00 6.66 1.47 -1.26 -5.09 116.67 126.21 1x6h s ASP 74 Ca 0.67 0.48 0.00 0.00 1.18 0.00 0.00 52.55 54.88 1x6h s ASP 74 Cb -0.13 1.25 0.00 0.00 -0.34 0.00 0.00 42.92 43.70 1x6h s ASP 74 CO 0.21 -0.07 0.00 0.61 0.68 0.00 0.00 175.17 176.60 1x6h n GLY 75 N 4.04 0.75 4.02 2.12 0.00 -1.26 -5.10 105.19 109.77 1x6h n GLY 75 Ca -0.13 -1.82 -0.20 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.39 2.08 0.30 1.61 -7.23 -1.26 -5.15 120.40 108.35 1x6h s VAL 76 Ca 0.00 -1.05 -0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1x6h s VAL 76 Cb 0.00 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.80 1x6h s VAL 76 CO 0.00 0.00 0.34 -1.61 -0.31 0.00 0.00 175.10 173.52 1x6h s GLU 77 N -4.63 1.68 0.28 4.82 2.02 -1.26 -5.16 118.70 116.44 1x6h s GLU 77 Ca 0.59 -1.76 -0.21 0.00 0.02 0.00 0.00 54.97 53.62 1x6h s GLU 77 Cb -0.05 0.37 0.03 0.00 0.10 0.00 0.00 34.13 34.58 1x6h s GLU 77 CO 0.37 -0.65 0.78 0.20 0.02 0.00 0.00 175.26 175.98 1x6h s GLY 78 N -3.24 -0.03 -0.23 -1.39 0.00 -1.26 -5.15 107.32 96.03 1x6h s GLY 78 Ca 0.35 -0.32 0.01 0.00 0.00 0.00 0.00 44.72 44.76 1x6h s GLY 78 CO 0.20 -0.04 -0.07 -0.54 0.00 0.00 0.00 173.10 172.64 1x6h s GLU 79 N -3.53 1.75 -0.11 2.90 0.41 -1.26 -5.01 118.70 113.87 1x6h s GLU 79 Ca 0.12 -0.97 -0.27 0.00 -0.41 0.00 0.00 54.97 53.43 1x6h s GLU 79 Cb -0.05 -2.56 -0.24 0.00 -1.78 0.00 0.00 34.13 29.50 1x6h s GLU 79 CO 0.07 -0.55 0.89 -2.95 -0.49 0.00 0.00 175.26 172.22 1x6h h ASN 80 N 7.95 -0.01 -4.97 -0.19 -1.07 -2.05 -3.47 115.58 111.76 1x6h h ASN 80 Ca -0.20 -0.83 -0.43 0.00 0.07 0.00 0.00 56.30 54.92 1x6h h ASN 80 Cb 1.08 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.28 1x6h h ASN 80 CO 0.43 0.84 -0.23 -1.54 0.07 0.00 0.00 177.43 176.99 1x6h n SER 81 N -4.69 2.44 -3.76 6.14 3.41 -1.26 -5.12 113.62 110.78 1x6h n SER 81 Ca -0.09 -2.41 -0.13 0.00 -0.26 0.00 0.00 58.87 55.98 1x6h n SER 81 Cb 0.40 0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 64.31 1x6h n SER 81 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x6h s GLY 82 N -3.33 -0.14 0.00 5.00 0.00 -1.26 -5.15 107.32 102.45 1x6h s GLY 82 Ca 0.16 0.26 0.00 0.00 0.00 0.00 0.00 44.72 45.14 1x6h s GLY 82 CO 0.10 0.05 0.00 -1.55 0.00 0.00 0.00 173.10 171.70 1x6h n PRO 83 N 1.17 -0.73 -2.36 2.90 -0.04 -1.26 -5.00 135.00 129.68 1x6h n PRO 83 Ca -0.21 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.91 1x6h n PRO 83 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1x6h n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x6h s SER 84 N -1.51 6.10 0.41 3.54 0.15 -1.26 -5.07 113.70 116.06 1x6h s SER 84 Ca 0.00 1.92 0.07 0.00 0.70 0.00 0.00 55.95 58.64 1x6h s SER 84 Cb 0.00 -2.55 -0.07 0.00 -1.71 0.00 0.00 66.02 61.68 1x6h s SER 84 CO 0.00 -0.95 0.03 -0.94 1.20 0.00 0.00 173.24 172.58 1x6h s SER 85 N -2.22 3.96 0.00 5.45 1.04 -1.26 -5.06 113.70 115.62 1x6h s SER 85 Ca 0.67 -1.31 0.03 0.00 0.48 0.00 0.00 55.95 55.81 1x6h s SER 85 Cb -0.17 -0.41 0.16 0.00 0.10 0.00 0.00 66.02 65.70 1x6h s SER 85 CO 0.26 -0.45 0.65 0.61 0.98 0.00 0.00 173.24 175.28