#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 3.57 -0.14 1.61 0.01 -1.26 -4.95 113.70 112.54 1x6h s SER 2 Ca 0.00 -3.30 -0.09 0.00 1.31 0.00 0.00 55.95 53.87 1x6h s SER 2 Cb 0.00 -1.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.04 1x6h s SER 2 CO 0.00 -0.16 -0.14 0.28 0.41 0.00 0.00 173.24 173.63 1x6h h SER 3 N 5.84 0.00 0.00 2.44 0.02 -2.12 -3.49 113.55 116.24 1x6h h SER 3 Ca 0.13 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1x6h h SER 3 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1x6h h SER 3 CO 0.56 0.77 0.00 0.61 -1.14 0.00 0.00 176.83 177.64 1x6h n GLY 4 N 1.62 1.66 2.82 -3.77 0.00 -1.26 -4.79 105.19 101.48 1x6h n GLY 4 Ca -0.08 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 1x6h n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6h s SER 5 N -4.00 0.58 -0.02 1.61 1.04 -1.26 -5.15 113.70 106.50 1x6h s SER 5 Ca 0.00 0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.57 1x6h s SER 5 Cb 0.00 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.29 1x6h s SER 5 CO 0.00 -0.22 0.25 -0.55 0.98 0.00 0.00 173.24 173.71 1x6h s SER 6 N 1.94 -0.14 -0.88 7.02 0.15 -1.26 -5.10 113.70 115.43 1x6h s SER 6 Ca -0.00 0.08 -0.25 0.00 0.70 0.00 0.00 55.95 56.48 1x6h s SER 6 Cb -0.12 0.32 0.04 0.00 -1.71 0.00 0.00 66.02 64.56 1x6h s SER 6 CO -0.05 -0.36 1.35 -0.83 1.20 0.00 0.00 173.24 174.55 1x6h s GLY 7 N -1.09 1.10 0.16 9.45 0.00 -1.26 -4.98 107.32 110.70 1x6h s GLY 7 Ca -0.12 -1.84 0.10 0.00 0.00 0.00 0.00 44.72 42.87 1x6h s GLY 7 CO 0.03 2.64 -0.22 1.09 0.00 0.00 0.00 173.10 176.64 1x6h s ARG 8 N 5.27 1.35 0.94 2.90 1.70 -1.26 -5.13 118.95 124.72 1x6h s ARG 8 Ca 0.40 -1.39 -0.11 0.00 -0.47 0.00 0.00 55.73 54.16 1x6h s ARG 8 Cb -0.04 -1.63 0.16 0.00 -0.57 0.00 0.00 34.95 32.87 1x6h s ARG 8 CO 0.02 0.36 1.11 0.95 -1.08 0.00 0.00 175.30 176.66 1x6h s THR 9 N -1.55 2.29 0.03 4.99 -4.23 -1.26 -4.83 115.64 111.08 1x6h s THR 9 Ca 0.15 0.09 -0.32 0.00 -1.18 0.00 0.00 61.69 60.43 1x6h s THR 9 Cb -0.08 -2.23 -0.17 0.00 1.34 0.00 0.00 72.50 71.36 1x6h s THR 9 CO 0.07 -0.12 0.83 0.00 -0.54 0.00 0.00 174.62 174.86 1x6h n HIS 10 N -4.23 0.38 0.18 3.99 -0.00 -1.26 -4.85 115.22 109.42 1x6h n HIS 10 Ca 0.09 0.89 -0.14 0.00 -0.00 0.00 0.00 57.72 58.57 1x6h n HIS 10 Cb 0.53 -1.77 -0.08 0.00 -0.00 0.00 0.00 29.99 28.67 1x6h n HIS 10 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.34 177.49 1x6h h THR 11 N 2.27 0.71 0.00 0.61 2.02 -2.03 -3.47 112.91 113.02 1x6h h THR 11 Ca -0.40 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1x6h h THR 11 Cb 1.23 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1x6h h THR 11 CO 0.54 0.05 0.00 0.61 0.37 0.00 0.00 175.52 177.10 1x6h n GLY 12 N -0.91 -0.60 3.55 2.16 0.00 -1.26 -5.17 105.19 102.96 1x6h n GLY 12 Ca -0.10 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 1.85 -0.09 1.61 2.12 -1.26 -5.12 118.70 115.81 1x6h s GLU 13 Ca 0.00 -1.59 -0.40 0.00 0.36 0.00 0.00 54.97 53.34 1x6h s GLU 13 Cb 0.00 0.47 -0.18 0.00 0.26 0.00 0.00 34.13 34.68 1x6h s GLU 13 CO 0.00 -0.78 1.37 1.63 -0.54 0.00 0.00 175.26 176.94 1x6h n LYS 14 N -0.51 0.62 -0.09 4.30 4.01 -1.26 -4.87 118.16 120.36 1x6h n LYS 14 Ca -0.01 0.22 -0.13 0.00 -0.51 0.00 0.00 58.31 57.88 1x6h n LYS 14 Cb 0.61 -1.81 -0.05 0.00 -0.51 0.00 0.00 35.03 33.28 1x6h n LYS 14 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1x6h h PRO 15 N 4.61 0.66 -6.10 1.97 0.13 -1.86 -3.42 132.00 127.99 1x6h h PRO 15 Ca -0.48 -0.35 -0.52 0.00 -0.87 0.00 0.00 66.00 63.78 1x6h h PRO 15 Cb 1.37 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.47 1x6h h PRO 15 CO 0.80 0.95 1.30 0.71 -0.23 0.00 0.00 178.00 181.54 1x6h s TYR 16 N -4.36 1.78 -0.29 1.56 1.51 -1.13 -4.94 117.35 111.49 1x6h s TYR 16 Ca -0.13 0.71 -0.03 0.00 -1.01 0.00 0.00 57.07 56.62 1x6h s TYR 16 Cb 0.08 -4.14 0.04 0.00 -0.11 0.00 0.00 41.96 37.83 1x6h s TYR 16 CO 0.82 -2.39 0.00 0.00 -1.11 0.00 0.00 175.55 172.87 1x6h s ALA 17 N 8.18 2.83 0.48 3.71 0.00 -1.26 0.07 121.76 135.77 1x6h s ALA 17 Ca 0.68 -1.66 -0.21 0.00 0.00 0.00 0.00 51.96 50.77 1x6h s ALA 17 Cb -0.14 -1.93 -0.10 0.00 0.00 0.00 0.00 23.12 20.95 1x6h s ALA 17 CO 0.24 -1.14 0.66 0.00 0.00 0.00 0.00 175.76 175.52 1x6h h SER 19 N 0.74 0.39 -0.67 0.00 0.02 -1.99 -3.38 113.55 108.67 1x6h h SER 19 Ca -0.43 -0.91 -0.00 0.00 -0.84 0.00 0.00 61.79 59.61 1x6h h SER 19 Cb 1.38 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 1x6h h SER 19 CO 0.51 1.81 0.41 0.45 -1.14 0.00 0.00 176.83 178.88 1x6h h HIS 20 N -0.05 0.88 -4.97 3.45 3.86 -1.99 -3.45 115.15 112.88 1x6h h HIS 20 Ca -0.41 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.20 1x6h h HIS 20 Cb 1.96 -0.29 -0.12 0.00 1.06 0.00 0.00 27.41 30.02 1x6h h HIS 20 CO 0.08 0.58 -0.46 0.00 0.86 0.00 0.00 177.93 179.00 1x6h n ASP 22 N -1.38 7.55 -4.88 0.00 2.03 -1.26 -4.40 116.55 114.21 1x6h n ASP 22 Ca -0.15 -3.75 -0.24 0.00 0.52 0.00 0.00 54.79 51.17 1x6h n ASP 22 Cb 0.61 -1.02 -0.04 0.00 -0.72 0.00 0.00 41.12 39.95 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 -3.74 3.17 0.06 -0.67 -0.14 -1.26 -4.97 119.74 112.19 1x6h s LYS 23 Ca 0.59 -0.80 0.02 0.00 -1.36 0.00 0.00 55.97 54.42 1x6h s LYS 23 Cb 0.47 -2.77 -0.03 0.00 -1.68 0.00 0.00 37.83 33.81 1x6h s LYS 23 CO -0.15 0.47 -0.07 0.95 -0.76 0.00 0.00 175.35 175.79 1x6h s THR 24 N -1.86 0.58 0.04 2.17 -4.23 -1.26 -0.39 115.64 110.69 1x6h s THR 24 Ca 0.33 -1.39 -0.08 0.00 -1.18 0.00 0.00 61.69 59.37 1x6h s THR 24 Cb -0.10 -1.00 -0.00 0.00 1.34 0.00 0.00 72.50 72.75 1x6h s THR 24 CO 0.26 -0.57 0.17 -0.36 -0.54 0.00 0.00 174.62 173.59 1x6h s PHE 25 N -2.21 0.10 -0.06 3.99 0.40 0.11 -4.98 117.98 115.33 1x6h s PHE 25 Ca -0.02 -0.37 -0.15 0.00 -0.60 0.00 0.00 56.93 55.79 1x6h s PHE 25 Cb -0.04 -0.06 -0.11 0.00 0.51 0.00 0.00 43.02 43.32 1x6h s PHE 25 CO -0.02 -0.43 0.60 0.00 0.70 0.00 0.00 175.22 176.08 1x6h h ARG 26 N 3.43 -0.27 -5.71 0.44 3.08 -1.93 -2.98 114.38 110.44 1x6h h ARG 26 Ca -0.32 0.02 -0.65 0.00 0.07 0.00 0.00 59.98 59.09 1x6h h ARG 26 Cb 1.19 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 31.23 1x6h h ARG 26 CO 0.50 0.01 -0.42 -0.65 -1.07 0.00 0.00 179.97 178.35 1x6h s GLN 27 N -2.94 3.59 0.56 0.04 -0.21 -1.26 -4.66 119.66 114.78 1x6h s GLN 27 Ca -0.09 -0.01 0.29 0.00 0.02 0.00 0.00 55.36 55.57 1x6h s GLN 27 Cb 0.00 -3.21 1.47 0.00 1.00 0.00 0.00 33.01 32.27 1x6h s GLN 27 CO 0.31 0.73 1.93 1.57 -2.12 0.00 0.00 175.29 177.71 1x6h h LYS 28 N 5.01 0.00 -0.18 2.91 2.10 -1.98 -0.99 116.57 123.44 1x6h h LYS 28 Ca -0.53 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.14 1x6h h LYS 28 Cb 1.22 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.53 1x6h h LYS 28 CO 0.60 0.00 0.01 0.37 -2.00 0.00 0.00 179.45 178.43 1x6h h GLN 29 N 0.00 0.07 -0.21 0.07 5.75 -1.98 0.27 115.11 119.08 1x6h h GLN 29 Ca 0.26 -0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.77 1x6h h GLN 29 Cb 1.22 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 1x6h h GLN 29 CO -0.00 0.05 0.13 -0.07 -2.65 0.00 0.00 178.83 176.29 1x6h h LEU 30 N 0.08 0.22 -1.79 -2.39 -0.00 -1.59 0.18 115.31 110.02 1x6h h LEU 30 Ca 0.08 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.94 1x6h h LEU 30 Cb 0.09 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1x6h h LEU 30 CO -0.13 0.16 -0.09 0.25 -0.00 0.00 0.00 178.44 178.64 1x6h h LEU 31 N 0.27 0.00 0.04 1.67 5.85 -1.42 0.30 115.31 122.03 1x6h h LEU 31 Ca 0.08 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1x6h h LEU 31 Cb -0.02 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.02 1x6h h LEU 31 CO -0.03 0.09 -0.36 -0.78 -0.34 0.00 0.00 178.44 177.02 1x6h h ASP 32 N 0.00 0.24 0.12 1.25 1.82 0.48 -3.18 116.42 117.15 1x6h h ASP 32 Ca -0.00 -0.90 -0.16 0.00 -0.39 0.00 0.00 57.03 55.58 1x6h h ASP 32 Cb 0.42 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 1x6h h ASP 32 CO 0.01 1.12 -0.59 0.00 -1.61 0.00 0.00 179.24 178.17 1x6h h MET 33 N -0.60 0.47 -0.56 0.28 -0.00 -0.84 -3.00 114.93 110.68 1x6h h MET 33 Ca -0.06 -0.32 0.06 0.00 -0.00 0.00 0.00 59.70 59.39 1x6h h MET 33 Cb 1.21 0.04 -0.05 0.00 -0.00 0.00 0.00 31.60 32.80 1x6h h MET 33 CO 0.07 0.93 0.27 1.25 -0.00 0.00 0.00 176.91 179.42 1x6h h HIS 34 N 0.36 0.49 0.49 -0.10 -0.00 -1.05 0.17 115.15 115.51 1x6h h HIS 34 Ca -0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 1x6h h HIS 34 Cb 1.13 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 1x6h h HIS 34 CO 0.04 0.22 -0.24 0.35 -0.00 0.00 0.00 177.93 178.30 1x6h h PHE 35 N 0.51 -0.62 0.00 5.26 3.04 -1.53 0.21 116.94 123.82 1x6h h PHE 35 Ca 0.26 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.19 1x6h h PHE 35 Cb 0.20 0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1x6h h PHE 35 CO -0.11 -0.30 0.00 1.63 -2.02 0.00 0.00 178.31 177.50 1x6h n LYS 36 N -5.30 0.06 -0.08 1.11 4.76 -1.11 -1.17 118.16 116.43 1x6h n LYS 36 Ca -0.11 0.28 -0.07 0.00 -2.87 0.00 0.00 58.31 55.54 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 -1.37 0.46 0.01 1.97 0.63 0.59 -1.40 116.66 117.55 1x6h n ARG 37 Ca 0.03 0.30 -0.01 0.00 -0.92 0.00 0.00 57.85 57.25 1x6h n ARG 37 Cb 0.07 -1.44 -0.01 0.00 0.45 0.00 0.00 32.46 31.53 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 -0.91 -0.08 0.00 -0.14 -1.99 -0.53 -3.29 116.97 110.03 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 0.75 0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.50 1x6h h TYR 38 CO -0.32 -0.05 0.15 0.72 -0.00 0.00 0.00 178.16 178.66 1x6h n HIS 39 N -3.27 0.56 -3.67 4.88 8.25 -0.32 -4.25 115.22 117.40 1x6h n HIS 39 Ca -0.01 0.29 -0.15 0.00 -0.26 0.00 0.00 57.72 57.59 1x6h n HIS 39 Cb 0.03 -0.87 -0.15 0.00 1.12 0.00 0.00 29.99 30.13 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 -3.68 0.53 0.00 0.41 1.01 -0.85 -4.97 116.67 109.13 1x6h s ASP 40 Ca -0.02 0.41 0.15 0.00 0.71 0.00 0.00 52.55 53.81 1x6h s ASP 40 Cb 0.05 0.39 0.89 0.00 1.01 0.00 0.00 42.92 45.26 1x6h s ASP 40 CO 0.15 -0.23 1.36 -0.81 0.21 0.00 0.00 175.17 175.85 1x6h n PRO 41 N 5.20 0.42 0.39 8.23 -0.04 -1.25 -3.18 135.00 144.79 1x6h n PRO 41 Ca -0.07 0.03 -0.16 0.00 -0.04 0.00 0.00 63.50 63.26 1x6h n PRO 41 Cb 0.50 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.86 -3.02 3.54 2.35 -1.83 -3.42 115.58 112.33 1x6h h ASN 42 Ca 0.00 0.03 -0.54 0.00 -0.55 0.00 0.00 56.30 55.24 1x6h h ASN 42 Cb 0.03 0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.63 1x6h h ASN 42 CO 0.00 -0.54 0.72 0.12 -1.65 0.00 0.00 177.43 176.08 1x6h s PHE 43 N -4.96 3.17 -0.06 1.19 2.19 -0.49 -5.02 117.98 114.00 1x6h s PHE 43 Ca -0.15 1.01 -0.02 0.00 0.33 0.00 0.00 56.93 58.10 1x6h s PHE 43 Cb 0.01 -3.60 0.04 0.00 -1.31 0.00 0.00 43.02 38.16 1x6h s PHE 43 CO 0.45 -2.07 0.09 0.54 1.83 0.00 0.00 175.22 176.06 1x6h s VAL 44 N 1.56 -0.16 0.11 3.12 0.11 -1.26 -4.36 120.40 119.52 1x6h s VAL 44 Ca 0.62 0.40 -0.31 0.00 -2.93 0.00 0.00 61.98 59.76 1x6h s VAL 44 Cb -0.33 -0.20 -0.08 0.00 -1.53 0.00 0.00 36.38 34.24 1x6h s VAL 44 CO 0.28 0.16 1.36 -2.16 -3.33 0.00 0.00 175.10 171.42 1x6h s PRO 45 N 2.21 4.34 -0.44 1.54 0.04 -1.26 -4.96 135.00 136.46 1x6h s PRO 45 Ca 0.04 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.83 1x6h s PRO 45 Cb -0.12 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.17 1x6h s PRO 45 CO -0.04 -0.41 1.43 0.00 0.04 0.00 0.00 177.00 178.02 1x6h s ALA 46 N 1.06 2.99 -0.35 8.56 0.00 -1.26 -4.98 121.76 127.78 1x6h s ALA 46 Ca 0.64 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 1x6h s ALA 46 Cb -0.36 -3.98 0.08 0.00 0.00 0.00 0.00 23.12 18.86 1x6h s ALA 46 CO 0.30 -2.52 0.10 0.00 0.00 0.00 0.00 175.76 173.64 1x6h s ALA 47 N 5.63 2.99 -0.27 0.00 0.00 -1.26 -4.09 121.76 124.76 1x6h s ALA 47 Ca 0.60 -2.15 0.01 0.00 0.00 0.00 0.00 51.96 50.42 1x6h s ALA 47 Cb -0.13 -2.18 0.08 0.00 0.00 0.00 0.00 23.12 20.89 1x6h s ALA 47 CO 0.31 -1.53 0.02 -0.06 0.00 0.00 0.00 175.76 174.50 1x6h s PHE 48 N 1.20 2.31 -0.08 0.00 0.40 -0.13 -5.01 117.98 116.67 1x6h s PHE 48 Ca 0.02 -1.90 -0.14 0.00 -0.60 0.00 0.00 56.93 54.31 1x6h s PHE 48 Cb -0.21 -1.82 -0.05 0.00 0.51 0.00 0.00 43.02 41.45 1x6h s PHE 48 CO -0.03 -0.82 0.37 0.08 0.70 0.00 0.00 175.22 175.52 1x6h s VAL 49 N 1.42 5.18 1.17 -0.44 1.01 -1.26 -0.85 120.40 126.62 1x6h s VAL 49 Ca 0.03 0.73 -0.17 0.00 0.00 0.00 0.00 61.98 62.56 1x6h s VAL 49 Cb -0.18 -3.68 0.19 0.00 0.00 0.00 0.00 36.38 32.71 1x6h s VAL 49 CO -0.12 0.49 0.36 0.00 0.00 0.00 0.00 175.10 175.82 1x6h n SER 51 N -2.85 2.48 0.09 0.00 2.88 -1.26 -4.18 113.62 110.78 1x6h n SER 51 Ca 0.03 -0.10 -0.23 0.00 -1.33 0.00 0.00 58.87 57.24 1x6h n SER 51 Cb 0.57 0.69 -0.15 0.00 -0.75 0.00 0.00 64.21 64.57 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 0.43 0.00 -1.46 1.57 -1.95 -3.43 116.57 111.73 1x6h h LYS 52 Ca 0.00 -0.74 -0.06 0.00 -1.87 0.00 0.00 60.65 57.98 1x6h h LYS 52 Cb 0.00 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1x6h h LYS 52 CO 0.00 1.35 -1.21 0.00 -0.57 0.00 0.00 179.45 179.02 1x6h n GLY 54 N 2.90 1.60 2.84 0.00 0.00 -1.26 -4.67 105.19 106.60 1x6h n GLY 54 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1x6h n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x6h n LYS 55 N -0.16 -0.62 -5.06 1.61 5.02 -1.26 -4.73 118.16 112.95 1x6h n LYS 55 Ca 0.00 -1.67 -0.30 0.00 -2.02 0.00 0.00 58.31 54.31 1x6h n LYS 55 Cb 0.00 -0.84 -0.15 0.00 -0.02 0.00 0.00 35.03 34.02 1x6h n LYS 55 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1x6h s THR 56 N -2.84 2.11 -0.06 -0.18 -4.23 -1.26 -1.28 115.64 107.91 1x6h s THR 56 Ca 0.53 -1.28 -0.03 0.00 -1.18 0.00 0.00 61.69 59.73 1x6h s THR 56 Cb -0.02 -1.78 0.03 0.00 1.34 0.00 0.00 72.50 72.07 1x6h s THR 56 CO 0.37 0.45 0.14 -0.36 -0.54 0.00 0.00 174.62 174.68 1x6h s PHE 57 N -0.73 -0.16 -0.23 3.99 0.40 -0.03 -4.93 117.98 116.29 1x6h s PHE 57 Ca 0.11 0.46 0.01 0.00 -0.60 0.00 0.00 56.93 56.91 1x6h s PHE 57 Cb -0.10 -0.05 0.26 0.00 0.51 0.00 0.00 43.02 43.64 1x6h s PHE 57 CO 0.01 -0.14 1.60 -2.37 0.70 0.00 0.00 175.22 175.01 1x6h n THR 58 N 3.92 2.20 -3.52 0.64 5.66 -1.26 -0.95 114.28 120.98 1x6h n THR 58 Ca -0.23 -1.07 -0.14 0.00 -3.05 0.00 0.00 64.05 59.56 1x6h n THR 58 Cb 0.53 -0.96 -0.05 0.00 -1.55 0.00 0.00 70.33 68.31 1x6h n THR 58 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1x6h s ARG 59 N -1.51 0.95 -0.09 1.09 0.52 -1.26 -4.71 118.95 113.95 1x6h s ARG 59 Ca 0.26 0.03 -0.18 0.00 -0.52 0.00 0.00 55.73 55.32 1x6h s ARG 59 Cb 0.21 0.44 -0.28 0.00 0.52 0.00 0.00 34.95 35.84 1x6h s ARG 59 CO 0.03 -0.34 0.66 -0.09 0.02 0.00 0.00 175.30 175.59 1x6h h ARG 60 N 2.59 0.25 0.62 3.54 1.12 -1.93 -3.23 114.38 117.33 1x6h h ARG 60 Ca -0.25 -0.42 -0.03 0.00 -1.11 0.00 0.00 59.98 58.16 1x6h h ARG 60 Cb 1.19 0.16 0.01 0.00 -0.01 0.00 0.00 29.97 31.31 1x6h h ARG 60 CO 0.36 1.20 -0.30 -0.91 -3.11 0.00 0.00 179.97 177.21 1x6h h ASN 61 N -0.37 -0.70 -0.67 -3.80 4.21 -1.99 -2.30 115.58 109.97 1x6h h ASN 61 Ca -0.25 -0.01 0.13 0.00 1.21 0.00 0.00 56.30 57.38 1x6h h ASN 61 Cb 1.69 0.18 -0.13 0.00 -1.12 0.00 0.00 38.32 38.95 1x6h h ASN 61 CO 0.08 -0.33 -0.21 0.74 -1.29 0.00 0.00 177.43 176.42 1x6h h THR 62 N -1.14 0.27 -0.00 2.81 2.02 -1.99 -0.38 112.91 114.51 1x6h h THR 62 Ca -0.08 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.12 1x6h h THR 62 Cb 0.67 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1x6h h THR 62 CO 0.14 0.00 -0.19 -0.03 0.37 0.00 0.00 175.52 175.81 1x6h h MET 63 N -0.04 -0.29 -0.70 6.66 -1.53 -1.58 -0.47 114.93 116.98 1x6h h MET 63 Ca 0.31 0.02 0.13 0.00 -3.44 0.00 0.00 59.70 56.72 1x6h h MET 63 Cb 0.52 0.07 -0.09 0.00 -0.55 0.00 0.00 31.60 31.54 1x6h h MET 63 CO -0.70 -0.19 0.24 0.00 0.14 0.00 0.00 176.91 176.40 1x6h h ALA 64 N 0.61 0.93 -0.59 0.39 0.00 -0.55 -0.38 119.26 119.67 1x6h h ALA 64 Ca 0.06 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1x6h h ALA 64 Cb 0.37 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1x6h h ALA 64 CO -0.18 -0.23 0.24 0.00 0.00 0.00 0.00 179.25 179.08 1x6h h ARG 65 N 0.39 0.87 -0.84 0.00 3.08 -0.56 -2.78 114.38 114.54 1x6h h ARG 65 Ca 0.37 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1x6h h ARG 65 Cb 0.55 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1x6h h ARG 65 CO -0.39 0.74 0.52 1.25 -1.07 0.00 0.00 179.97 181.02 1x6h h HIS 66 N 0.81 1.09 -0.98 3.04 2.76 0.27 -2.30 115.15 119.84 1x6h h HIS 66 Ca 0.20 0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.54 1x6h h HIS 66 Cb 0.19 -0.36 -0.09 0.00 1.55 0.00 0.00 27.41 28.70 1x6h h HIS 66 CO 0.01 0.71 0.61 0.00 -1.30 0.00 0.00 177.93 177.96 1x6h h ALA 67 N 1.29 1.73 0.17 5.26 0.00 -0.84 0.36 119.26 127.22 1x6h h ALA 67 Ca 0.30 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1x6h h ALA 67 Cb -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1x6h h ALA 67 CO -0.06 -0.04 -0.16 -0.44 0.00 0.00 0.00 179.25 178.54 1x6h h ASP 68 N 0.77 -0.43 -0.02 0.00 5.19 -1.36 -1.66 116.42 118.90 1x6h h ASP 68 Ca 0.53 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.98 1x6h h ASP 68 Cb 0.82 0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.48 1x6h h ASP 68 CO -0.30 -0.25 0.00 0.59 -3.12 0.00 0.00 179.24 176.16 1x6h n ASN 69 N -5.29 0.47 -4.71 6.45 4.13 -0.68 -4.83 115.26 110.81 1x6h n ASN 69 Ca -0.08 -1.30 -0.42 0.00 1.68 0.00 0.00 54.58 54.47 1x6h n ASN 69 Cb 0.20 -0.01 -0.03 0.00 -1.54 0.00 0.00 39.78 38.40 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 4.01 4.21 0.00 0.00 0.00 -1.26 -4.95 120.51 122.52 1x6h n ALA 71 Ca 0.07 -3.22 0.00 0.00 0.00 0.00 0.00 53.44 50.29 1x6h n ALA 71 Cb 0.50 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.12 -2.21 3.76 0.00 0.00 -1.26 -4.95 105.19 99.41 1x6h n GLY 72 Ca 0.30 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.25 2.18 -0.01 1.61 0.04 -1.25 -4.64 135.00 132.67 1x6h s PRO 73 Ca 0.00 1.15 -0.22 0.00 0.04 0.00 0.00 61.00 61.97 1x6h s PRO 73 Cb 0.00 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.69 1x6h s PRO 73 CO 0.00 -1.69 0.47 0.34 0.04 0.00 0.00 177.00 176.16 1x6h s ASP 74 N -3.39 -0.39 -0.54 6.66 2.15 -1.26 -5.07 116.67 114.83 1x6h s ASP 74 Ca 0.61 0.29 -0.26 0.00 0.43 0.00 0.00 52.55 53.62 1x6h s ASP 74 Cb -0.17 0.43 -0.08 0.00 -0.30 0.00 0.00 42.92 42.79 1x6h s ASP 74 CO 0.56 -0.57 2.44 0.61 -0.17 0.00 0.00 175.17 178.04 1x6h n GLY 75 N 0.93 0.12 3.08 2.66 0.00 -1.26 -4.91 105.19 105.81 1x6h n GLY 75 Ca -0.20 0.67 -0.16 0.00 0.00 0.00 0.00 46.02 46.33 1x6h n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x6h s VAL 76 N 12.15 0.76 0.14 1.61 1.01 -1.26 -5.16 120.40 129.65 1x6h s VAL 76 Ca 1.01 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1x6h s VAL 76 Cb -0.25 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1x6h s VAL 76 CO 0.27 -0.18 -0.12 -1.83 0.00 0.00 0.00 175.10 173.24 1x6h s GLU 77 N -1.27 1.05 -0.80 2.72 4.04 -1.26 -4.83 118.70 118.35 1x6h s GLU 77 Ca -0.04 -1.38 -0.05 0.00 0.04 0.00 0.00 54.97 53.54 1x6h s GLU 77 Cb -0.08 -0.74 0.01 0.00 0.02 0.00 0.00 34.13 33.34 1x6h s GLU 77 CO 0.01 0.11 0.67 0.41 -1.84 0.00 0.00 175.26 174.62 1x6h n GLY 78 N 0.06 0.07 0.21 -3.83 0.00 -1.26 -4.94 105.19 95.50 1x6h n GLY 78 Ca -0.12 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1x6h n GLY 78 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1x6h h GLU 79 N -1.54 0.66 -1.31 1.61 5.08 -2.06 -3.45 114.58 113.58 1x6h h GLU 79 Ca -0.33 -0.13 0.14 0.00 -1.00 0.00 0.00 59.36 58.04 1x6h h GLU 79 Cb 1.22 -0.10 -0.26 0.00 0.50 0.00 0.00 28.75 30.11 1x6h h GLU 79 CO 0.33 0.63 0.33 1.21 -1.00 0.00 0.00 179.01 180.51 1x6h s ASN 80 N -5.95 -0.52 -0.09 1.42 2.47 -1.26 -5.16 114.94 105.85 1x6h s ASN 80 Ca -0.13 0.78 0.04 0.00 0.42 0.00 0.00 52.86 53.97 1x6h s ASN 80 Cb 0.11 1.38 -0.00 0.00 -1.45 0.00 0.00 41.25 41.28 1x6h s ASN 80 CO 0.77 -0.12 -0.23 -0.55 -3.72 0.00 0.00 177.10 173.25 1x6h s SER 81 N 1.77 2.98 -0.13 -4.21 0.15 -1.26 -5.12 113.70 107.89 1x6h s SER 81 Ca -0.06 -0.53 -0.30 0.00 0.70 0.00 0.00 55.95 55.75 1x6h s SER 81 Cb -0.05 -1.28 0.11 0.00 -1.71 0.00 0.00 66.02 63.09 1x6h s SER 81 CO -0.16 0.16 0.92 -0.83 1.20 0.00 0.00 173.24 174.53 1x6h s GLY 82 N 0.29 -0.35 1.09 9.45 0.00 -1.26 -5.18 107.32 111.37 1x6h s GLY 82 Ca -0.16 1.81 -0.15 0.00 0.00 0.00 0.00 44.72 46.21 1x6h s GLY 82 CO 0.08 0.97 1.10 2.56 0.00 0.00 0.00 173.10 177.81 1x6h s PRO 83 N -1.25 -0.32 -0.21 2.90 0.04 -1.26 -5.06 135.00 129.83 1x6h s PRO 83 Ca -0.03 0.26 -0.02 0.00 0.04 0.00 0.00 61.00 61.24 1x6h s PRO 83 Cb -0.00 -1.67 0.06 0.00 0.04 0.00 0.00 34.50 32.93 1x6h s PRO 83 CO 0.03 -3.18 0.03 -1.12 0.04 0.00 0.00 177.00 172.80 1x6h s SER 84 N -3.63 3.20 0.31 6.66 0.01 -1.26 -5.12 113.70 113.87 1x6h s SER 84 Ca 0.68 -0.98 -0.09 0.00 1.31 0.00 0.00 55.95 56.88 1x6h s SER 84 Cb -0.15 -0.71 0.01 0.00 0.21 0.00 0.00 66.02 65.37 1x6h s SER 84 CO 0.57 -0.31 0.53 -0.44 0.41 0.00 0.00 173.24 174.00 1x6h s SER 85 N 1.76 0.38 0.00 2.44 0.01 -1.26 -5.39 113.70 111.65 1x6h s SER 85 Ca -0.00 -1.22 0.02 0.00 1.31 0.00 0.00 55.95 56.05 1x6h s SER 85 Cb -0.17 0.66 0.01 0.00 0.21 0.00 0.00 66.02 66.73 1x6h s SER 85 CO -0.10 -1.30 0.55 0.61 0.41 0.00 0.00 173.24 173.41