#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 6.27 -1.37 1.61 0.01 -1.26 -3.04 113.70 115.92 1x6h s SER 2 Ca 0.00 0.90 -0.14 0.00 1.31 0.00 0.00 55.95 58.01 1x6h s SER 2 Cb 0.00 -2.23 0.14 0.00 0.21 0.00 0.00 66.02 64.14 1x6h s SER 2 CO 0.00 -0.56 0.36 -1.54 0.41 0.00 0.00 173.24 171.91 1x6h n SER 3 N -2.23 -0.94 0.00 2.44 3.41 -1.26 -4.38 113.62 110.66 1x6h n SER 3 Ca 0.00 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 1x6h n SER 3 Cb 0.55 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 1x6h n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6h n GLY 4 N -1.19 -0.09 2.72 5.00 0.00 -1.26 -5.11 105.19 105.26 1x6h n GLY 4 Ca 0.02 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.78 1.05 -0.01 1.61 1.04 -1.17 -5.14 113.70 109.30 1x6h s SER 5 Ca 0.00 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.58 1x6h s SER 5 Cb 0.00 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.12 1x6h s SER 5 CO 0.00 -0.25 -0.02 -0.94 0.98 0.00 0.00 173.24 173.01 1x6h s SER 6 N 2.21 0.38 0.00 7.02 1.04 -1.26 -4.67 113.70 118.42 1x6h s SER 6 Ca 0.04 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1x6h s SER 6 Cb -0.12 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1x6h s SER 6 CO -0.04 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1x6h n GLY 7 N 3.49 2.88 0.42 7.32 0.00 -1.26 -4.88 105.19 113.17 1x6h n GLY 7 Ca -0.19 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 1x6h n GLY 7 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1x6h h ARG 8 N 0.00 -0.40 -2.81 1.61 2.43 -2.02 -3.34 114.38 109.85 1x6h h ARG 8 Ca 0.00 0.03 -0.60 0.00 -0.81 0.00 0.00 59.98 58.60 1x6h h ARG 8 Cb 0.00 0.09 -0.40 0.00 -0.42 0.00 0.00 29.97 29.24 1x6h h ARG 8 CO 0.00 -0.27 -0.79 0.95 -1.51 0.00 0.00 179.97 178.36 1x6h s THR 9 N -5.45 1.13 -0.30 0.20 -4.23 -1.26 -5.05 115.64 100.69 1x6h s THR 9 Ca -0.13 -2.60 -0.03 0.00 -1.18 0.00 0.00 61.69 57.75 1x6h s THR 9 Cb 0.07 -1.78 0.19 0.00 1.34 0.00 0.00 72.50 72.32 1x6h s THR 9 CO 0.56 -0.99 0.72 -2.28 -0.54 0.00 0.00 174.62 172.09 1x6h s HIS 10 N 0.24 -1.37 -0.43 3.99 5.04 -1.26 -5.05 115.29 116.45 1x6h s HIS 10 Ca 0.21 1.25 -0.23 0.00 -1.54 0.00 0.00 55.06 54.76 1x6h s HIS 10 Cb -0.17 0.40 0.02 0.00 0.04 0.00 0.00 32.58 32.88 1x6h s HIS 10 CO -0.05 -0.76 0.76 0.95 -2.34 0.00 0.00 174.74 173.30 1x6h s THR 11 N 2.88 4.69 -0.25 0.89 -4.23 -1.26 -4.85 115.64 113.50 1x6h s THR 11 Ca 0.15 0.46 0.01 0.00 -1.18 0.00 0.00 61.69 61.12 1x6h s THR 11 Cb -0.12 -4.29 0.04 0.00 1.34 0.00 0.00 72.50 69.48 1x6h s THR 11 CO -0.20 -0.65 -0.09 -0.83 -0.54 0.00 0.00 174.62 172.30 1x6h s GLY 12 N 2.07 1.63 -0.70 3.99 0.00 -1.26 -5.05 107.32 108.00 1x6h s GLY 12 Ca 0.29 -1.61 -0.37 0.00 0.00 0.00 0.00 44.72 43.03 1x6h s GLY 12 CO 0.21 0.55 2.40 1.18 0.00 0.00 0.00 173.10 177.44 1x6h n GLU 13 N 4.55 0.13 -1.34 2.90 1.02 -1.26 -4.64 120.64 122.01 1x6h n GLU 13 Ca -0.16 0.02 -0.53 0.00 -0.02 0.00 0.00 57.16 56.47 1x6h n GLU 13 Cb 0.45 -1.66 -0.12 0.00 -0.02 0.00 0.00 31.44 30.09 1x6h n GLU 13 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1x6h n LYS 14 N 8.05 0.08 0.14 3.49 5.02 -1.26 -4.78 118.16 128.90 1x6h n LYS 14 Ca 0.58 0.02 -0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1x6h n LYS 14 Cb 0.04 -1.59 0.25 0.00 -0.02 0.00 0.00 35.03 33.71 1x6h n LYS 14 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1x6h h PRO 15 N 10.24 0.06 -6.08 1.97 0.13 -1.81 -3.41 132.00 133.11 1x6h h PRO 15 Ca -0.10 -0.03 -0.58 0.00 -0.87 0.00 0.00 66.00 64.42 1x6h h PRO 15 Cb 1.38 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.41 1x6h h PRO 15 CO 1.18 0.53 0.77 0.71 -0.23 0.00 0.00 178.00 180.95 1x6h s TYR 16 N -3.95 2.62 -0.28 1.56 1.51 -1.05 -4.97 117.35 112.79 1x6h s TYR 16 Ca -0.03 -0.00 -0.02 0.00 -1.01 0.00 0.00 57.07 56.01 1x6h s TYR 16 Cb 0.13 -4.34 0.04 0.00 -0.11 0.00 0.00 41.96 37.68 1x6h s TYR 16 CO 0.75 -1.61 -0.02 0.00 -1.11 0.00 0.00 175.55 173.56 1x6h s ALA 17 N 4.59 2.79 0.46 3.71 0.00 -1.26 0.14 121.76 132.18 1x6h s ALA 17 Ca 0.33 -1.60 -0.23 0.00 0.00 0.00 0.00 51.96 50.47 1x6h s ALA 17 Cb -0.11 -1.85 -0.10 0.00 0.00 0.00 0.00 23.12 21.06 1x6h s ALA 17 CO 0.18 -1.04 0.87 0.00 0.00 0.00 0.00 175.76 175.78 1x6h n SER 19 N 0.48 1.78 -0.19 0.00 7.64 -1.26 -4.25 113.62 117.82 1x6h n SER 19 Ca 0.11 0.24 -0.07 0.00 1.01 0.00 0.00 58.87 60.15 1x6h n SER 19 Cb 0.41 -0.62 0.02 0.00 -1.01 0.00 0.00 64.21 63.02 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 0.05 0.78 -1.24 1.43 3.86 -1.98 -3.45 115.15 114.59 1x6h h HIS 20 Ca -0.40 -0.03 -0.64 0.00 -1.16 0.00 0.00 60.37 58.14 1x6h h HIS 20 Cb 2.03 -0.25 -0.13 0.00 1.06 0.00 0.00 27.41 30.12 1x6h h HIS 20 CO 0.06 0.59 -0.50 0.00 0.86 0.00 0.00 177.93 178.94 1x6h n ASP 22 N -1.39 7.27 -4.67 0.00 -0.08 -1.26 -4.45 116.55 111.97 1x6h n ASP 22 Ca -0.15 -3.67 -0.27 0.00 -1.51 0.00 0.00 54.79 49.19 1x6h n ASP 22 Cb 0.66 -1.11 -0.08 0.00 2.34 0.00 0.00 41.12 42.94 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 -3.45 2.45 0.11 -0.67 -0.14 -1.26 -5.00 119.74 111.77 1x6h s LYS 23 Ca 0.54 -1.04 0.03 0.00 -1.36 0.00 0.00 55.97 54.14 1x6h s LYS 23 Cb 0.43 -2.40 -0.04 0.00 -1.68 0.00 0.00 37.83 34.13 1x6h s LYS 23 CO -0.34 0.47 -0.09 0.95 -0.76 0.00 0.00 175.35 175.57 1x6h s THR 24 N -1.64 0.93 0.05 2.17 -4.23 -1.26 -0.57 115.64 111.09 1x6h s THR 24 Ca 0.27 -1.77 -0.12 0.00 -1.18 0.00 0.00 61.69 58.89 1x6h s THR 24 Cb -0.10 -1.51 0.01 0.00 1.34 0.00 0.00 72.50 72.25 1x6h s THR 24 CO 0.19 -0.66 0.25 -0.36 -0.54 0.00 0.00 174.62 173.50 1x6h s PHE 25 N -2.84 -0.02 -0.06 3.99 0.40 0.12 -4.98 117.98 114.59 1x6h s PHE 25 Ca 0.09 -0.19 -0.14 0.00 -0.60 0.00 0.00 56.93 56.09 1x6h s PHE 25 Cb -0.00 0.03 -0.09 0.00 0.51 0.00 0.00 43.02 43.47 1x6h s PHE 25 CO -0.01 -0.48 0.56 0.00 0.70 0.00 0.00 175.22 175.99 1x6h h ARG 26 N 3.25 -0.31 -5.69 0.44 3.08 -1.91 -2.78 114.38 110.45 1x6h h ARG 26 Ca -0.32 0.02 -0.67 0.00 0.07 0.00 0.00 59.98 59.08 1x6h h ARG 26 Cb 1.20 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 31.24 1x6h h ARG 26 CO 0.48 -0.08 -0.50 -0.65 -1.07 0.00 0.00 179.97 178.15 1x6h s GLN 27 N -2.93 3.38 0.22 0.04 -1.52 -1.26 -4.56 119.66 113.03 1x6h s GLN 27 Ca -0.08 -0.18 -0.12 0.00 -1.95 0.00 0.00 55.36 53.03 1x6h s GLN 27 Cb 0.00 -3.14 0.27 0.00 -0.22 0.00 0.00 33.01 29.93 1x6h s GLN 27 CO 0.26 0.76 1.63 -0.22 -0.25 0.00 0.00 175.29 177.47 1x6h h LYS 28 N 4.90 0.02 -0.92 2.91 3.64 -1.97 0.07 116.57 125.21 1x6h h LYS 28 Ca -0.54 -0.00 0.28 0.00 -1.27 0.00 0.00 60.65 59.12 1x6h h LYS 28 Cb 1.22 -0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.87 1x6h h LYS 28 CO 0.58 0.01 0.10 0.94 -2.27 0.00 0.00 179.45 178.82 1x6h n GLN 29 N -5.41 -0.07 0.11 1.90 7.27 -1.26 0.62 117.38 120.54 1x6h n GLN 29 Ca 0.09 1.36 -0.13 0.00 0.07 0.00 0.00 57.00 58.39 1x6h n GLN 29 Cb 0.35 -2.21 -0.08 0.00 2.41 0.00 0.00 30.24 30.71 1x6h n GLN 29 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1x6h h LEU 30 N 0.00 -0.18 -0.84 1.69 -0.00 -1.39 0.87 115.31 115.47 1x6h h LEU 30 Ca 0.60 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.47 1x6h h LEU 30 Cb 1.31 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 42.02 1x6h h LEU 30 CO -0.84 -0.11 0.00 0.25 -0.00 0.00 0.00 178.44 177.74 1x6h h LEU 31 N -0.22 0.00 0.18 1.67 5.85 0.20 0.10 115.31 123.10 1x6h h LEU 31 Ca -0.02 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.38 1x6h h LEU 31 Cb 0.17 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.22 1x6h h LEU 31 CO 0.03 0.00 -1.55 -0.78 -0.34 0.00 0.00 178.44 175.81 1x6h h ASP 32 N 0.00 0.61 1.28 1.25 3.58 0.88 -3.28 116.42 120.73 1x6h h ASP 32 Ca 0.00 -0.92 -0.13 0.00 0.42 0.00 0.00 57.03 56.40 1x6h h ASP 32 Cb 0.38 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 1x6h h ASP 32 CO 0.00 1.71 -0.75 0.00 -2.88 0.00 0.00 179.24 177.32 1x6h h MET 33 N -0.01 0.00 -0.59 0.28 -0.00 -0.66 -3.23 114.93 110.72 1x6h h MET 33 Ca -0.30 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.35 1x6h h MET 33 Cb 2.01 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 33.58 1x6h h MET 33 CO 0.17 0.50 0.19 1.25 -0.00 0.00 0.00 176.91 179.03 1x6h h HIS 34 N 0.00 0.94 0.38 -0.10 -0.00 -1.11 -0.71 115.15 114.55 1x6h h HIS 34 Ca -0.04 -0.09 -0.02 0.00 -0.00 0.00 0.00 60.37 60.22 1x6h h HIS 34 Cb 1.46 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 1x6h h HIS 34 CO 0.00 0.78 -0.18 0.35 -0.00 0.00 0.00 177.93 178.88 1x6h h PHE 35 N 0.83 -0.47 0.00 5.26 3.04 -1.65 0.21 116.94 124.16 1x6h h PHE 35 Ca 0.19 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1x6h h PHE 35 Cb 0.27 0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.94 1x6h h PHE 35 CO 0.02 -0.14 0.00 1.63 -2.02 0.00 0.00 178.31 177.80 1x6h n LYS 36 N -5.17 0.02 -0.07 1.11 4.76 -1.22 -1.15 118.16 116.44 1x6h n LYS 36 Ca -0.10 0.35 -0.07 0.00 -2.87 0.00 0.00 58.31 55.63 1x6h n LYS 36 Cb 0.28 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.95 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 -1.44 0.44 0.03 1.97 0.63 -0.28 -1.61 116.66 116.40 1x6h n ARG 37 Ca 0.02 0.27 -0.02 0.00 -0.92 0.00 0.00 57.85 57.20 1x6h n ARG 37 Cb 0.06 -1.38 -0.01 0.00 0.45 0.00 0.00 32.46 31.58 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 -0.86 -0.10 0.00 -0.14 -1.99 -0.53 -3.27 116.97 110.08 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 0.74 0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.50 1x6h h TYR 38 CO -0.32 -0.06 0.15 0.72 -0.00 0.00 0.00 178.16 178.66 1x6h n HIS 39 N -3.05 0.51 -3.64 4.88 8.25 -0.30 -4.21 115.22 117.66 1x6h n HIS 39 Ca -0.01 0.27 -0.16 0.00 -0.26 0.00 0.00 57.72 57.56 1x6h n HIS 39 Cb 0.04 -0.82 -0.14 0.00 1.12 0.00 0.00 29.99 30.18 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 -3.60 0.70 0.00 0.41 1.11 -0.78 -4.97 116.67 109.54 1x6h s ASP 40 Ca -0.02 0.35 0.13 0.00 0.18 0.00 0.00 52.55 53.20 1x6h s ASP 40 Cb 0.04 0.44 0.78 0.00 1.07 0.00 0.00 42.92 45.25 1x6h s ASP 40 CO 0.14 -0.25 1.21 -0.81 1.18 0.00 0.00 175.17 176.63 1x6h n PRO 41 N 5.33 0.49 0.24 8.23 -0.04 -1.24 -3.16 135.00 144.85 1x6h n PRO 41 Ca -0.05 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.31 1x6h n PRO 41 Cb 0.50 -1.42 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.54 -2.73 3.54 2.35 -1.82 -3.43 115.58 112.96 1x6h h ASN 42 Ca 0.00 0.02 -0.54 0.00 -0.55 0.00 0.00 56.30 55.23 1x6h h ASN 42 Cb 0.00 0.14 0.02 0.00 0.05 0.00 0.00 38.32 38.52 1x6h h ASN 42 CO 0.00 -0.26 0.97 0.12 -1.65 0.00 0.00 177.43 176.61 1x6h s PHE 43 N -3.83 2.49 -0.09 1.19 2.19 -0.63 -5.00 117.98 114.30 1x6h s PHE 43 Ca -0.09 0.41 -0.01 0.00 0.33 0.00 0.00 56.93 57.57 1x6h s PHE 43 Cb 0.01 -3.91 0.03 0.00 -1.31 0.00 0.00 43.02 37.84 1x6h s PHE 43 CO 0.28 -3.60 -0.03 0.54 1.83 0.00 0.00 175.22 174.24 1x6h s VAL 44 N 2.64 0.62 0.12 3.12 0.11 -1.26 -4.40 120.40 121.35 1x6h s VAL 44 Ca 0.72 -0.03 -0.31 0.00 -2.93 0.00 0.00 61.98 59.43 1x6h s VAL 44 Cb -0.38 -0.72 -0.08 0.00 -1.53 0.00 0.00 36.38 33.67 1x6h s VAL 44 CO 0.31 0.30 1.36 -2.16 -3.33 0.00 0.00 175.10 171.58 1x6h s PRO 45 N 1.86 4.34 -0.45 1.54 0.04 -1.26 -4.97 135.00 136.11 1x6h s PRO 45 Ca 0.05 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 1x6h s PRO 45 Cb -0.12 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.19 1x6h s PRO 45 CO -0.06 -0.39 1.21 0.00 0.04 0.00 0.00 177.00 177.80 1x6h s ALA 46 N 0.93 3.14 -0.32 8.56 0.00 -1.26 -4.99 121.76 127.82 1x6h s ALA 46 Ca 0.63 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1x6h s ALA 46 Cb -0.36 -3.90 0.08 0.00 0.00 0.00 0.00 23.12 18.94 1x6h s ALA 46 CO 0.31 -2.26 0.03 0.00 0.00 0.00 0.00 175.76 173.84 1x6h s ALA 47 N 4.69 2.84 -0.21 0.00 0.00 -1.26 -4.14 121.76 123.68 1x6h s ALA 47 Ca 0.52 -2.16 -0.01 0.00 0.00 0.00 0.00 51.96 50.31 1x6h s ALA 47 Cb -0.09 -1.95 0.06 0.00 0.00 0.00 0.00 23.12 21.14 1x6h s ALA 47 CO 0.31 -1.48 -0.01 -0.06 0.00 0.00 0.00 175.76 174.52 1x6h s PHE 48 N 1.08 1.60 -0.14 0.00 0.40 -0.31 -5.02 117.98 115.59 1x6h s PHE 48 Ca 0.01 -1.21 -0.11 0.00 -0.60 0.00 0.00 56.93 55.03 1x6h s PHE 48 Cb -0.20 -1.26 -0.05 0.00 0.51 0.00 0.00 43.02 42.03 1x6h s PHE 48 CO -0.05 -0.67 0.23 0.08 0.70 0.00 0.00 175.22 175.52 1x6h s VAL 49 N 1.67 5.34 1.17 -0.44 1.01 -1.26 -0.62 120.40 127.27 1x6h s VAL 49 Ca -0.03 0.42 -0.18 0.00 0.00 0.00 0.00 61.98 62.20 1x6h s VAL 49 Cb -0.18 -3.55 0.21 0.00 0.00 0.00 0.00 36.38 32.87 1x6h s VAL 49 CO -0.07 0.49 0.42 0.00 0.00 0.00 0.00 175.10 175.94 1x6h n SER 51 N -2.87 3.18 0.10 0.00 3.41 -1.26 -4.23 113.62 111.95 1x6h n SER 51 Ca 0.05 -0.01 -0.23 0.00 -0.26 0.00 0.00 58.87 58.42 1x6h n SER 51 Cb 0.52 0.66 -0.15 0.00 -0.26 0.00 0.00 64.21 64.98 1x6h n SER 51 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1x6h h LYS 52 N 0.00 0.43 0.00 4.33 1.57 -1.94 -3.43 116.57 117.53 1x6h h LYS 52 Ca 0.00 -0.73 -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 32.57 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 2.85 1.60 3.95 0.00 0.00 -1.26 -4.59 105.19 107.73 1x6h n GLY 54 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.14 0.98 -0.00 1.61 1.02 -1.26 -4.70 119.74 117.24 1x6h s LYS 55 Ca 0.00 -0.62 0.04 0.00 0.02 0.00 0.00 55.97 55.41 1x6h s LYS 55 Cb 0.00 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.28 1x6h s LYS 55 CO 0.00 -2.11 -0.11 0.95 -0.92 0.00 0.00 175.35 173.17 1x6h s THR 56 N -3.66 3.36 -0.08 2.17 -4.23 -1.26 -0.93 115.64 111.01 1x6h s THR 56 Ca 0.71 -0.84 -0.04 0.00 -1.18 0.00 0.00 61.69 60.35 1x6h s THR 56 Cb -0.04 -2.42 0.04 0.00 1.34 0.00 0.00 72.50 71.41 1x6h s THR 56 CO 0.50 0.43 0.19 -0.36 -0.54 0.00 0.00 174.62 174.84 1x6h s PHE 57 N -0.92 -0.24 -0.33 3.99 0.40 0.21 -4.94 117.98 116.15 1x6h s PHE 57 Ca 0.15 0.62 0.04 0.00 -0.60 0.00 0.00 56.93 57.14 1x6h s PHE 57 Cb -0.11 -0.02 0.44 0.00 0.51 0.00 0.00 43.02 43.84 1x6h s PHE 57 CO 0.05 -0.19 1.52 2.41 0.70 0.00 0.00 175.22 179.71 1x6h n THR 58 N 4.19 2.27 -3.63 0.64 -1.04 -1.26 -1.16 114.28 114.28 1x6h n THR 58 Ca -0.26 -1.15 -0.05 0.00 -2.04 0.00 0.00 64.05 60.56 1x6h n THR 58 Cb 0.52 -0.60 -0.07 0.00 -1.82 0.00 0.00 70.33 68.36 1x6h n THR 58 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1x6h s ARG 59 N -2.09 0.44 0.13 -2.82 0.52 -1.26 -4.68 118.95 109.18 1x6h s ARG 59 Ca 0.36 1.20 -0.23 0.00 -0.52 0.00 0.00 55.73 56.54 1x6h s ARG 59 Cb 0.30 0.55 -0.03 0.00 0.52 0.00 0.00 34.95 36.28 1x6h s ARG 59 CO 0.08 -0.25 1.66 -0.09 0.02 0.00 0.00 175.30 176.72 1x6h h ARG 60 N 8.10 -0.23 0.74 3.54 1.12 -1.93 -0.85 114.38 124.86 1x6h h ARG 60 Ca -0.17 0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.68 1x6h h ARG 60 Cb 1.11 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 31.12 1x6h h ARG 60 CO 0.12 -0.15 -0.38 -0.91 -3.11 0.00 0.00 179.97 175.53 1x6h h ASN 61 N -0.24 -0.93 -0.82 -3.80 2.35 -2.00 -2.13 115.58 108.01 1x6h h ASN 61 Ca 0.09 0.04 0.11 0.00 -0.55 0.00 0.00 56.30 55.99 1x6h h ASN 61 Cb 0.36 0.25 -0.13 0.00 0.05 0.00 0.00 38.32 38.86 1x6h h ASN 61 CO -0.23 -0.63 -0.46 0.74 -1.65 0.00 0.00 177.43 175.20 1x6h h THR 62 N -1.03 0.04 -0.18 2.81 2.02 -1.96 -0.39 112.91 114.22 1x6h h THR 62 Ca -0.10 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.13 1x6h h THR 62 Cb 0.80 0.04 -0.07 0.00 -1.74 0.00 0.00 68.15 67.18 1x6h h THR 62 CO 0.14 0.00 -0.43 -0.03 0.37 0.00 0.00 175.52 175.58 1x6h h MET 63 N -0.10 -0.45 -0.80 6.66 1.85 -1.11 -0.85 114.93 120.13 1x6h h MET 63 Ca 0.23 0.03 0.19 0.00 -0.61 0.00 0.00 59.70 59.54 1x6h h MET 63 Cb 0.54 0.10 -0.14 0.00 0.43 0.00 0.00 31.60 32.53 1x6h h MET 63 CO -0.85 -0.30 0.08 0.00 -0.40 0.00 0.00 176.91 175.44 1x6h h ALA 64 N 0.16 0.95 -0.30 0.39 0.00 -0.41 0.12 119.26 120.16 1x6h h ALA 64 Ca 0.09 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1x6h h ALA 64 Cb 0.62 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1x6h h ALA 64 CO -0.43 -0.44 0.19 0.00 0.00 0.00 0.00 179.25 178.57 1x6h h ARG 65 N 0.14 0.41 -0.35 0.00 3.08 -0.20 -2.88 114.38 114.58 1x6h h ARG 65 Ca 0.46 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.53 1x6h h ARG 65 Cb 0.86 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 1x6h h ARG 65 CO -0.67 0.31 0.07 1.25 -1.07 0.00 0.00 179.97 179.86 1x6h h HIS 66 N 0.39 0.12 -0.90 3.04 2.76 0.47 -2.04 115.15 119.00 1x6h h HIS 66 Ca 0.11 0.02 0.25 0.00 -2.20 0.00 0.00 60.37 58.55 1x6h h HIS 66 Cb 0.00 -0.00 -0.14 0.00 1.55 0.00 0.00 27.41 28.82 1x6h h HIS 66 CO -0.04 0.02 0.27 0.00 -1.30 0.00 0.00 177.93 176.88 1x6h h ALA 67 N 1.26 1.36 0.24 5.26 0.00 -0.94 1.38 119.26 127.82 1x6h h ALA 67 Ca 0.17 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1x6h h ALA 67 Cb 0.19 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1x6h h ALA 67 CO -0.22 -0.49 -0.20 -0.44 0.00 0.00 0.00 179.25 177.91 1x6h h ASP 68 N 0.21 -0.51 -0.02 0.00 5.19 -1.32 -1.81 116.42 118.16 1x6h h ASP 68 Ca 0.58 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 57.03 1x6h h ASP 68 Cb 1.19 0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.87 1x6h h ASP 68 CO -0.66 -0.30 0.00 0.59 -3.12 0.00 0.00 179.24 175.75 1x6h n ASN 69 N -5.32 0.47 -4.71 6.45 3.02 0.01 -4.83 115.26 110.35 1x6h n ASN 69 Ca -0.09 -1.26 -0.42 0.00 -0.03 0.00 0.00 54.58 52.79 1x6h n ASN 69 Cb 0.23 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.36 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 3.89 0.96 0.00 0.00 0.00 -1.26 -4.93 120.51 119.16 1x6h n ALA 71 Ca 0.06 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1x6h n ALA 71 Cb 0.51 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.99 0.20 0.00 0.00 -1.26 -4.95 105.19 100.07 1x6h n GLY 72 Ca -0.35 -1.37 -0.04 0.00 0.00 0.00 0.00 46.02 44.25 1x6h n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6h h PRO 73 N 1.58 0.32 -6.44 1.61 0.13 -1.81 -3.43 132.00 123.97 1x6h h PRO 73 Ca 0.00 -0.17 -0.50 0.00 -0.87 0.00 0.00 66.00 64.47 1x6h h PRO 73 Cb 0.00 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 30.94 1x6h h PRO 73 CO 0.00 0.71 -0.74 -3.47 -0.23 0.00 0.00 178.00 174.27 1x6h n ASP 74 N -3.99 -3.11 0.00 1.44 2.03 -1.26 -4.75 116.55 106.91 1x6h n ASP 74 Ca -0.02 -0.83 0.00 0.00 0.52 0.00 0.00 54.79 54.46 1x6h n ASP 74 Cb 0.52 -2.58 0.00 0.00 -0.72 0.00 0.00 41.12 38.34 1x6h n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x6h n GLY 75 N -1.25 -2.09 3.05 0.27 0.00 -1.26 -5.09 105.19 98.82 1x6h n GLY 75 Ca 0.06 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.80 2.32 0.27 1.61 1.01 -1.26 -5.09 120.40 117.46 1x6h s VAL 76 Ca 0.00 -2.05 0.02 0.00 0.00 0.00 0.00 61.98 59.95 1x6h s VAL 76 Cb 0.00 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1x6h s VAL 76 CO 0.00 -0.39 0.22 -1.61 0.00 0.00 0.00 175.10 173.32 1x6h s GLU 77 N 1.00 1.49 0.00 2.72 0.41 -1.26 -4.98 118.70 118.07 1x6h s GLU 77 Ca 0.03 -1.80 0.00 0.00 -0.41 0.00 0.00 54.97 52.79 1x6h s GLU 77 Cb -0.20 0.31 0.00 0.00 -1.78 0.00 0.00 34.13 32.46 1x6h s GLU 77 CO -0.06 -0.53 0.00 0.41 -0.49 0.00 0.00 175.26 174.58 1x6h n GLY 78 N -0.44 1.49 2.66 -1.39 0.00 -1.26 -5.12 105.19 101.12 1x6h n GLY 78 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1x6h n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x6h s GLU 79 N -0.27 0.15 0.08 1.61 0.41 -1.26 -5.13 118.70 114.30 1x6h s GLU 79 Ca 0.00 0.00 -0.22 0.00 -0.41 0.00 0.00 54.97 54.35 1x6h s GLU 79 Cb 0.00 -1.46 0.05 0.00 -1.78 0.00 0.00 34.13 30.94 1x6h s GLU 79 CO 0.00 -0.55 0.53 1.21 -0.49 0.00 0.00 175.26 175.96 1x6h s ASN 80 N 2.09 -0.45 -0.29 -0.19 3.04 -1.26 -5.17 114.94 112.72 1x6h s ASN 80 Ca 0.03 0.08 -0.22 0.00 0.04 0.00 0.00 52.86 52.78 1x6h s ASN 80 Cb -0.15 0.52 0.14 0.00 -1.54 0.00 0.00 41.25 40.22 1x6h s ASN 80 CO -0.07 -0.80 1.08 -0.94 -3.04 0.00 0.00 177.10 173.33 1x6h s SER 81 N -2.26 -0.40 -0.45 -4.21 1.04 -1.26 -5.11 113.70 101.05 1x6h s SER 81 Ca -0.03 0.71 0.05 0.00 0.48 0.00 0.00 55.95 57.17 1x6h s SER 81 Cb -0.00 0.88 0.19 0.00 0.10 0.00 0.00 66.02 67.19 1x6h s SER 81 CO -0.06 -0.12 0.42 0.61 0.98 0.00 0.00 173.24 175.08 1x6h n GLY 82 N 2.63 2.64 3.56 7.32 0.00 -1.26 -5.08 105.19 115.00 1x6h n GLY 82 Ca -0.14 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.53 2.79 0.30 1.61 0.04 -1.26 -4.93 135.00 133.01 1x6h s PRO 83 Ca 0.33 0.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.11 1x6h s PRO 83 Cb 0.07 -4.34 -0.01 0.00 0.04 0.00 0.00 34.50 30.26 1x6h s PRO 83 CO -0.17 -2.53 0.38 -1.12 0.04 0.00 0.00 177.00 173.60 1x6h s SER 84 N 7.59 0.75 -0.24 6.66 0.01 -1.26 -5.10 113.70 122.11 1x6h s SER 84 Ca 0.69 -1.43 -0.16 0.00 1.31 0.00 0.00 55.95 56.37 1x6h s SER 84 Cb -0.14 0.58 -0.10 0.00 0.21 0.00 0.00 66.02 66.57 1x6h s SER 84 CO 0.23 -1.15 -0.33 -0.24 0.41 0.00 0.00 173.24 172.17 1x6h n SER 85 N -1.06 1.94 0.00 2.44 2.88 -1.26 -5.34 113.62 113.23 1x6h n SER 85 Ca 0.02 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 1x6h n SER 85 Cb 0.63 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 1x6h n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42