#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 -0.31 -0.94 1.61 0.01 -1.26 -5.08 113.70 107.73 1x6h s SER 2 Ca 0.00 0.07 -0.24 0.00 1.31 0.00 0.00 55.95 57.09 1x6h s SER 2 Cb 0.00 0.42 -0.07 0.00 0.21 0.00 0.00 66.02 66.58 1x6h s SER 2 CO 0.00 -0.63 2.00 -0.44 0.41 0.00 0.00 173.24 174.58 1x6h s SER 3 N -1.85 4.92 0.36 2.44 0.01 -1.26 -4.93 113.70 113.39 1x6h s SER 3 Ca -0.07 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1x6h s SER 3 Cb -0.01 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1x6h s SER 3 CO -0.01 -3.00 0.00 0.61 0.41 0.00 0.00 173.24 171.25 1x6h n GLY 4 N 6.65 -0.48 3.77 3.44 0.00 -1.26 -5.05 105.19 112.25 1x6h n GLY 4 Ca 0.42 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.00 6.38 -0.78 1.61 1.04 -1.26 -4.98 113.70 114.71 1x6h s SER 5 Ca 0.00 0.44 -0.31 0.00 0.48 0.00 0.00 55.95 56.56 1x6h s SER 5 Cb 0.00 -2.13 -0.17 0.00 0.10 0.00 0.00 66.02 63.81 1x6h s SER 5 CO 0.00 0.21 2.54 -1.20 0.98 0.00 0.00 173.24 175.77 1x6h n SER 6 N 3.11 0.99 -4.65 7.02 7.64 -1.26 -4.80 113.62 121.67 1x6h n SER 6 Ca -0.15 0.07 -0.42 0.00 1.01 0.00 0.00 58.87 59.37 1x6h n SER 6 Cb 0.53 -1.11 -0.03 0.00 -1.01 0.00 0.00 64.21 62.58 1x6h n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x6h s GLY 7 N 9.43 1.25 -0.35 0.23 0.00 -1.26 -4.86 107.32 111.76 1x6h s GLY 7 Ca 1.23 1.16 -0.27 0.00 0.00 0.00 0.00 44.72 46.84 1x6h s GLY 7 CO 0.45 3.50 2.31 -1.60 0.00 0.00 0.00 173.10 177.76 1x6h s ARG 8 N 4.84 2.63 -0.46 2.90 3.52 -1.26 -4.91 118.95 126.22 1x6h s ARG 8 Ca 0.90 1.73 -0.29 0.00 -0.13 0.00 0.00 55.73 57.94 1x6h s ARG 8 Cb -0.39 -4.48 0.03 0.00 -1.56 0.00 0.00 34.95 28.55 1x6h s ARG 8 CO 0.39 -2.67 1.12 -0.08 -0.81 0.00 0.00 175.30 173.24 1x6h s THR 9 N 10.19 4.26 0.25 4.11 -1.32 -1.26 -5.01 115.64 126.85 1x6h s THR 9 Ca 0.99 1.24 0.07 0.00 -1.21 0.00 0.00 61.69 62.78 1x6h s THR 9 Cb -0.25 -4.57 -0.05 0.00 -1.51 0.00 0.00 72.50 66.11 1x6h s THR 9 CO 0.31 -0.94 -0.08 -1.38 -2.21 0.00 0.00 174.62 170.31 1x6h s HIS 10 N 4.32 1.81 0.36 9.09 -0.00 -1.26 -5.11 115.29 124.51 1x6h s HIS 10 Ca 0.47 -0.69 -0.23 0.00 -0.00 0.00 0.00 55.06 54.61 1x6h s HIS 10 Cb -0.08 -0.98 -0.15 0.00 -0.00 0.00 0.00 32.58 31.38 1x6h s HIS 10 CO 0.30 0.26 0.39 -2.37 -0.00 0.00 0.00 174.74 173.32 1x6h n THR 11 N -0.49 1.40 0.00 -5.38 5.66 -1.26 -4.95 114.28 109.26 1x6h n THR 11 Ca -0.06 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.44 1x6h n THR 11 Cb 0.62 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 1x6h n THR 11 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x6h n GLY 12 N 2.01 2.66 3.93 1.09 0.00 -1.26 -5.17 105.19 108.45 1x6h n GLY 12 Ca 0.13 0.16 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 1x6h n GLY 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x6h s GLU 13 N -0.57 3.20 -0.27 1.61 -1.05 -1.26 -5.10 118.70 115.26 1x6h s GLU 13 Ca 0.00 -0.92 0.02 0.00 -0.15 0.00 0.00 54.97 53.92 1x6h s GLU 13 Cb 0.00 -2.76 0.07 0.00 -0.44 0.00 0.00 34.13 31.00 1x6h s GLU 13 CO 0.00 0.33 -0.05 0.15 0.95 0.00 0.00 175.26 176.64 1x6h s LYS 14 N -3.98 1.77 0.23 -4.83 1.02 -1.26 -4.71 119.74 107.97 1x6h s LYS 14 Ca 0.36 -1.29 -0.01 0.00 0.02 0.00 0.00 55.97 55.06 1x6h s LYS 14 Cb -0.09 -2.78 0.23 0.00 -0.52 0.00 0.00 37.83 34.68 1x6h s LYS 14 CO 0.28 -0.67 1.59 -1.00 -0.92 0.00 0.00 175.35 174.63 1x6h h PRO 15 N 7.83 0.52 -6.25 -1.68 0.13 -1.86 -3.41 132.00 127.29 1x6h h PRO 15 Ca -0.16 -0.27 -0.53 0.00 -0.87 0.00 0.00 66.00 64.17 1x6h h PRO 15 Cb 1.05 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.12 1x6h h PRO 15 CO 0.45 0.85 1.15 0.71 -0.23 0.00 0.00 178.00 180.93 1x6h s TYR 16 N -4.19 2.10 -0.22 1.56 1.51 -1.00 -4.94 117.35 112.16 1x6h s TYR 16 Ca -0.07 0.19 -0.05 0.00 -1.01 0.00 0.00 57.07 56.13 1x6h s TYR 16 Cb 0.12 -4.47 -0.02 0.00 -0.11 0.00 0.00 41.96 37.48 1x6h s TYR 16 CO 0.82 -2.15 0.00 0.00 -1.11 0.00 0.00 175.55 173.12 1x6h s ALA 17 N 6.72 2.97 0.54 3.71 0.00 -1.26 0.42 121.76 134.86 1x6h s ALA 17 Ca 0.44 -1.12 -0.21 0.00 0.00 0.00 0.00 51.96 51.08 1x6h s ALA 17 Cb -0.09 -1.84 -0.06 0.00 0.00 0.00 0.00 23.12 21.13 1x6h s ALA 17 CO 0.16 -0.39 1.16 0.00 0.00 0.00 0.00 175.76 176.70 1x6h n SER 19 N -0.63 1.81 -0.17 0.00 7.64 -1.26 -4.28 113.62 116.73 1x6h n SER 19 Ca 0.11 0.20 -0.08 0.00 1.01 0.00 0.00 58.87 60.12 1x6h n SER 19 Cb 0.44 -0.60 0.01 0.00 -1.01 0.00 0.00 64.21 63.06 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 0.68 -4.34 1.43 3.86 -1.98 -3.46 115.15 111.39 1x6h h HIS 20 Ca -0.42 -0.02 -0.36 0.00 -1.16 0.00 0.00 60.37 58.41 1x6h h HIS 20 Cb 2.02 -0.22 -0.07 0.00 1.06 0.00 0.00 27.41 30.20 1x6h h HIS 20 CO 0.06 0.51 -0.28 0.00 0.86 0.00 0.00 177.93 179.08 1x6h n ASP 22 N -1.49 7.43 -4.64 0.00 2.03 -1.26 -4.45 116.55 114.16 1x6h n ASP 22 Ca -0.07 -3.76 -0.30 0.00 0.52 0.00 0.00 54.79 51.17 1x6h n ASP 22 Cb 0.37 -1.09 -0.09 0.00 -0.72 0.00 0.00 41.12 39.59 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 -3.84 2.40 0.14 -0.67 -0.14 -1.26 -4.99 119.74 111.39 1x6h s LYS 23 Ca 0.52 -0.89 0.06 0.00 -1.36 0.00 0.00 55.97 54.30 1x6h s LYS 23 Cb 0.42 -2.46 -0.04 0.00 -1.68 0.00 0.00 37.83 34.07 1x6h s LYS 23 CO -0.38 0.54 -0.13 0.95 -0.76 0.00 0.00 175.35 175.56 1x6h s THR 24 N -1.25 1.36 -0.00 2.17 -4.23 -1.26 0.44 115.64 112.86 1x6h s THR 24 Ca 0.23 -1.86 -0.14 0.00 -1.18 0.00 0.00 61.69 58.75 1x6h s THR 24 Cb -0.11 -1.67 0.02 0.00 1.34 0.00 0.00 72.50 72.08 1x6h s THR 24 CO 0.16 -0.51 0.29 -0.36 -0.54 0.00 0.00 174.62 173.66 1x6h s PHE 25 N -2.49 -0.14 -0.09 3.99 0.40 0.17 -4.97 117.98 114.83 1x6h s PHE 25 Ca 0.12 0.18 -0.26 0.00 -0.60 0.00 0.00 56.93 56.37 1x6h s PHE 25 Cb -0.03 0.08 -0.27 0.00 0.51 0.00 0.00 43.02 43.31 1x6h s PHE 25 CO 0.03 -0.40 0.86 0.07 0.70 0.00 0.00 175.22 176.49 1x6h h ARG 26 N 3.81 0.13 -5.14 0.44 0.11 -1.84 -2.66 114.38 109.22 1x6h h ARG 26 Ca -0.30 -0.20 -0.62 0.00 0.10 0.00 0.00 59.98 58.97 1x6h h ARG 26 Cb 1.18 0.07 -0.15 0.00 1.11 0.00 0.00 29.97 32.18 1x6h h ARG 26 CO 0.41 1.06 -0.52 -0.65 0.10 0.00 0.00 179.97 180.36 1x6h s GLN 27 N -2.48 4.04 0.30 0.08 -1.52 -1.26 -4.71 119.66 114.11 1x6h s GLN 27 Ca -0.17 -0.29 0.03 0.00 -1.95 0.00 0.00 55.36 52.98 1x6h s GLN 27 Cb -0.01 -3.44 0.76 0.00 -0.22 0.00 0.00 33.01 30.10 1x6h s GLN 27 CO 0.74 0.12 1.62 -0.22 -0.25 0.00 0.00 175.29 177.30 1x6h h LYS 28 N 7.29 0.12 -0.81 2.91 3.64 -1.97 0.27 116.57 128.02 1x6h h LYS 28 Ca -0.38 -0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.18 1x6h h LYS 28 Cb 1.17 -0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.82 1x6h h LYS 28 CO 0.67 0.08 0.02 0.37 -2.27 0.00 0.00 179.45 178.32 1x6h h GLN 29 N 0.12 0.09 0.53 1.90 5.75 -1.98 0.19 115.11 121.71 1x6h h GLN 29 Ca 0.58 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 59.06 1x6h h GLN 29 Cb 1.23 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.74 1x6h h GLN 29 CO -0.75 0.06 -0.44 -0.07 -2.65 0.00 0.00 178.83 174.98 1x6h h LEU 30 N 0.09 -1.17 -2.20 -2.39 4.07 -0.87 0.83 115.31 113.66 1x6h h LEU 30 Ca 0.45 0.09 0.05 0.00 0.08 0.00 0.00 57.88 58.55 1x6h h LEU 30 Cb 0.83 0.38 -0.01 0.00 1.08 0.00 0.00 40.66 42.94 1x6h h LEU 30 CO -0.72 -0.63 0.18 0.25 -1.08 0.00 0.00 178.44 176.44 1x6h h LEU 31 N -0.96 0.00 0.04 1.67 5.85 -1.18 0.26 115.31 120.99 1x6h h LEU 31 Ca -0.06 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1x6h h LEU 31 Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1x6h h LEU 31 CO -0.01 0.00 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.29 1x6h h ASP 32 N 0.00 -0.04 0.45 1.25 3.58 0.28 -3.04 116.42 118.90 1x6h h ASP 32 Ca 0.09 -0.60 -0.10 0.00 0.42 0.00 0.00 57.03 56.84 1x6h h ASP 32 Cb 0.44 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1x6h h ASP 32 CO -0.00 0.60 -0.48 0.00 -2.88 0.00 0.00 179.24 176.48 1x6h h MET 33 N -0.72 0.04 -0.73 0.28 -0.00 -0.20 -3.02 114.93 110.57 1x6h h MET 33 Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1x6h h MET 33 Cb 0.63 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.20 1x6h h MET 33 CO 0.01 0.52 0.46 1.25 -0.00 0.00 0.00 176.91 179.15 1x6h h HIS 34 N 0.03 0.95 0.59 -0.10 -0.00 -0.56 -0.33 115.15 115.73 1x6h h HIS 34 Ca -0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.35 1x6h h HIS 34 Cb 0.87 -0.32 0.01 0.00 -0.00 0.00 0.00 27.41 27.97 1x6h h HIS 34 CO 0.00 0.62 -0.28 0.35 -0.00 0.00 0.00 177.93 178.62 1x6h h PHE 35 N 1.00 -0.74 0.00 5.26 3.04 -1.41 0.86 116.94 124.95 1x6h h PHE 35 Ca 0.27 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.20 1x6h h PHE 35 Cb -0.07 0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.68 1x6h h PHE 35 CO -0.02 -0.40 0.00 1.63 -2.02 0.00 0.00 178.31 177.50 1x6h n LYS 36 N -5.34 0.03 -0.07 1.11 5.02 -1.16 -1.10 118.16 116.64 1x6h n LYS 36 Ca -0.12 0.35 -0.06 0.00 -2.02 0.00 0.00 58.31 56.47 1x6h n LYS 36 Cb 0.35 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.84 1x6h n LYS 36 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1x6h n ARG 37 N -1.41 0.43 -0.02 1.97 0.63 -0.14 -1.20 116.66 116.93 1x6h n ARG 37 Ca 0.01 0.36 -0.00 0.00 -0.92 0.00 0.00 57.85 57.30 1x6h n ARG 37 Cb 0.04 -1.47 -0.00 0.00 0.45 0.00 0.00 32.46 31.48 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 -0.88 0.00 0.00 -0.14 -1.99 -0.72 -3.33 116.97 109.91 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 0.64 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.37 1x6h h TYR 38 CO -0.27 0.00 0.14 0.45 -0.00 0.00 0.00 178.16 178.48 1x6h h HIS 39 N -0.33 0.00 -3.27 4.88 3.86 -1.26 -3.37 115.15 115.66 1x6h h HIS 39 Ca 0.00 0.00 -0.41 0.00 -1.16 0.00 0.00 60.37 58.80 1x6h h HIS 39 Cb 0.01 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.09 1x6h h HIS 39 CO -0.00 0.00 -0.76 0.34 0.86 0.00 0.00 177.93 178.37 1x6h s ASP 40 N -4.01 1.47 0.00 2.45 2.15 -0.30 -4.95 116.67 113.47 1x6h s ASP 40 Ca -0.03 -0.05 0.15 0.00 0.43 0.00 0.00 52.55 53.06 1x6h s ASP 40 Cb 0.07 -0.33 0.89 0.00 -0.30 0.00 0.00 42.92 43.24 1x6h s ASP 40 CO 0.21 -0.22 1.36 -0.81 -0.17 0.00 0.00 175.17 175.53 1x6h n PRO 41 N 5.20 0.42 0.05 4.34 -0.04 -1.26 -3.19 135.00 140.53 1x6h n PRO 41 Ca -0.06 0.03 -0.02 0.00 -0.04 0.00 0.00 63.50 63.42 1x6h n PRO 41 Cb 0.50 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.12 -2.61 3.54 2.35 -1.84 -3.43 115.58 113.47 1x6h h ASN 42 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 1x6h h ASN 42 Cb 0.03 0.03 0.05 0.00 0.05 0.00 0.00 38.32 38.49 1x6h h ASN 42 CO 0.00 -0.06 1.05 0.12 -1.65 0.00 0.00 177.43 176.89 1x6h s PHE 43 N -2.69 2.63 -0.09 1.19 2.19 -0.34 -4.99 117.98 115.88 1x6h s PHE 43 Ca -0.02 0.20 -0.01 0.00 0.33 0.00 0.00 56.93 57.43 1x6h s PHE 43 Cb 0.00 -4.16 0.03 0.00 -1.31 0.00 0.00 43.02 37.58 1x6h s PHE 43 CO 0.06 -4.55 -0.02 0.54 1.83 0.00 0.00 175.22 173.08 1x6h s VAL 44 N 1.74 0.55 0.13 3.12 0.11 -1.26 -4.40 120.40 120.38 1x6h s VAL 44 Ca 0.77 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.52 1x6h s VAL 44 Cb -0.49 -0.68 -0.08 0.00 -1.53 0.00 0.00 36.38 33.61 1x6h s VAL 44 CO 0.34 0.28 1.35 -2.16 -3.33 0.00 0.00 175.10 171.57 1x6h s PRO 45 N 1.90 4.35 -0.38 1.54 0.04 -1.26 -4.96 135.00 136.23 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 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1x6h s PRO 45 CO -0.06 -0.38 1.44 0.00 0.04 0.00 0.00 177.00 178.04 1x6h s ALA 46 N 0.88 3.10 -0.29 8.56 0.00 -1.26 -4.98 121.76 127.76 1x6h s ALA 46 Ca 0.62 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.56 1x6h s ALA 46 Cb -0.36 -3.92 0.08 0.00 0.00 0.00 0.00 23.12 18.92 1x6h s ALA 46 CO 0.32 -2.29 -0.03 0.00 0.00 0.00 0.00 175.76 173.76 1x6h s ALA 47 N 5.36 2.62 -0.21 0.00 0.00 -1.26 -4.66 121.76 123.61 1x6h s ALA 47 Ca 0.62 -2.06 0.01 0.00 0.00 0.00 0.00 51.96 50.53 1x6h s ALA 47 Cb -0.15 -1.74 0.05 0.00 0.00 0.00 0.00 23.12 21.28 1x6h s ALA 47 CO 0.31 -1.43 -0.07 -0.06 0.00 0.00 0.00 175.76 174.51 1x6h s PHE 48 N 1.06 2.27 -0.04 0.00 0.40 -1.21 -5.04 117.98 115.43 1x6h s PHE 48 Ca 0.01 -1.57 -0.01 0.00 -0.60 0.00 0.00 56.93 54.75 1x6h s PHE 48 Cb -0.19 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 1x6h s PHE 48 CO -0.07 -0.73 0.06 0.08 0.70 0.00 0.00 175.22 175.25 1x6h s VAL 49 N 1.44 4.63 0.28 -0.44 1.01 -1.26 -1.04 120.40 125.02 1x6h s VAL 49 Ca -0.03 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 1x6h s VAL 49 Cb -0.17 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.05 1x6h s VAL 49 CO -0.07 0.44 1.18 0.00 0.00 0.00 0.00 175.10 176.65 1x6h n SER 51 N 1.32 2.22 -0.10 0.00 7.64 -1.26 -2.69 113.62 120.75 1x6h n SER 51 Ca 0.00 -1.72 -0.13 0.00 1.01 0.00 0.00 58.87 58.03 1x6h n SER 51 Cb 0.44 0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.71 0.52 -0.11 1.43 5.02 -1.26 -4.81 118.16 119.66 1x6h n LYS 52 Ca 0.16 0.35 -0.18 0.00 -2.02 0.00 0.00 58.31 56.62 1x6h n LYS 52 Cb 0.47 -1.55 -0.10 0.00 -0.02 0.00 0.00 35.03 33.84 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 2.19 1.38 3.98 0.00 0.00 -1.10 -4.22 105.19 107.42 1x6h n GLY 54 Ca -0.42 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.20 1.41 -0.02 1.61 1.02 -1.26 -4.75 119.74 117.56 1x6h s LYS 55 Ca 0.00 -1.04 0.08 0.00 0.02 0.00 0.00 55.97 55.02 1x6h s LYS 55 Cb 0.00 -2.24 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 1x6h s LYS 55 CO 0.00 -1.68 -0.24 0.95 -0.92 0.00 0.00 175.35 173.45 1x6h s THR 56 N -3.30 1.91 0.20 2.17 -4.23 -1.26 -1.37 115.64 109.76 1x6h s THR 56 Ca 0.69 -1.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.16 1x6h s THR 56 Cb -0.04 -1.59 -0.05 0.00 1.34 0.00 0.00 72.50 72.16 1x6h s THR 56 CO 0.46 0.53 0.05 -0.36 -0.54 0.00 0.00 174.62 174.76 1x6h s PHE 57 N -0.58 1.29 -0.21 3.99 0.40 -0.20 -5.00 117.98 117.67 1x6h s PHE 57 Ca 0.09 -1.13 0.06 0.00 -0.60 0.00 0.00 56.93 55.35 1x6h s PHE 57 Cb -0.09 -0.73 -0.16 0.00 0.51 0.00 0.00 43.02 42.54 1x6h s PHE 57 CO -0.01 -0.32 -0.12 2.41 0.70 0.00 0.00 175.22 177.88 1x6h n THR 58 N -0.31 1.23 -4.56 0.64 -1.04 -1.26 -3.33 114.28 105.66 1x6h n THR 58 Ca -0.03 -0.55 -0.34 0.00 -2.04 0.00 0.00 64.05 61.09 1x6h n THR 58 Cb 0.65 -1.07 -0.12 0.00 -1.82 0.00 0.00 70.33 67.97 1x6h n THR 58 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1x6h s ARG 59 N -2.43 3.10 0.04 -2.82 3.52 -1.26 -4.70 118.95 114.39 1x6h s ARG 59 Ca -0.24 -0.54 -0.32 0.00 -0.13 0.00 0.00 55.73 54.50 1x6h s ARG 59 Cb 0.07 -2.70 -0.18 0.00 -1.56 0.00 0.00 34.95 30.58 1x6h s ARG 59 CO 0.56 0.50 1.34 -0.09 -0.81 0.00 0.00 175.30 176.80 1x6h h ARG 60 N 5.81 -1.10 -0.95 5.12 2.43 -1.96 -2.01 114.38 121.72 1x6h h ARG 60 Ca -0.41 0.07 0.28 0.00 -0.81 0.00 0.00 59.98 59.11 1x6h h ARG 60 Cb 1.18 0.25 -0.14 0.00 -0.42 0.00 0.00 29.97 30.84 1x6h h ARG 60 CO 0.56 -0.73 0.44 -0.91 -1.51 0.00 0.00 179.97 177.82 1x6h h ASN 61 N -1.29 0.32 0.01 -3.80 2.35 -1.99 0.30 115.58 111.48 1x6h h ASN 61 Ca -0.12 0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1x6h h ASN 61 Cb 0.88 0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1x6h h ASN 61 CO 0.19 -0.13 -0.00 0.74 -1.65 0.00 0.00 177.43 176.58 1x6h h THR 62 N 0.30 1.12 0.43 2.81 2.02 -1.96 -2.90 112.91 114.73 1x6h h THR 62 Ca 0.66 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 1x6h h THR 62 Cb 1.42 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1x6h h THR 62 CO -0.62 0.10 -0.21 -0.03 0.37 0.00 0.00 175.52 175.13 1x6h h MET 63 N -0.17 -0.56 -0.95 6.66 1.85 -0.04 -2.43 114.93 119.28 1x6h h MET 63 Ca -0.00 0.04 0.17 0.00 -0.61 0.00 0.00 59.70 59.30 1x6h h MET 63 Cb 0.17 0.13 -0.17 0.00 0.43 0.00 0.00 31.60 32.16 1x6h h MET 63 CO 0.00 -0.31 -0.31 0.00 -0.40 0.00 0.00 176.91 175.90 1x6h n ALA 64 N -2.42 0.05 -0.12 0.39 0.00 0.78 0.45 120.51 119.64 1x6h n ALA 64 Ca -0.11 1.00 -0.09 0.00 0.00 0.00 0.00 53.44 54.24 1x6h n ALA 64 Cb 0.27 -0.52 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 1x6h n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x6h h ARG 65 N 0.00 0.51 -0.97 0.00 3.08 -1.44 -2.66 114.38 112.90 1x6h h ARG 65 Ca 0.39 -0.07 0.18 0.00 0.07 0.00 0.00 59.98 60.55 1x6h h ARG 65 Cb 0.63 -0.10 -0.10 0.00 0.08 0.00 0.00 29.97 30.48 1x6h h ARG 65 CO -0.96 0.45 0.58 1.25 -1.07 0.00 0.00 179.97 180.21 1x6h h HIS 66 N 0.45 1.01 -0.41 3.04 2.76 0.51 -1.09 115.15 121.42 1x6h h HIS 66 Ca 0.13 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.41 1x6h h HIS 66 Cb 0.09 -0.30 -0.07 0.00 1.55 0.00 0.00 27.41 28.68 1x6h h HIS 66 CO -0.02 0.24 -0.03 0.00 -1.30 0.00 0.00 177.93 176.82 1x6h h ALA 67 N 1.62 0.35 -0.57 5.26 0.00 -0.77 0.11 119.26 125.26 1x6h h ALA 67 Ca 0.55 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.67 1x6h h ALA 67 Cb 0.83 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.75 1x6h h ALA 67 CO -0.37 -0.41 -0.49 -0.44 0.00 0.00 0.00 179.25 177.54 1x6h h ASP 68 N 0.08 -1.67 0.96 0.00 3.32 -1.21 0.62 116.42 118.50 1x6h h ASP 68 Ca 0.20 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.51 1x6h h ASP 68 Cb 0.30 0.73 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1x6h h ASP 68 CO -0.36 -0.35 0.00 0.78 -1.72 0.00 0.00 179.24 177.59 1x6h h ASN 69 N -0.26 0.00 -4.18 6.45 2.35 -1.48 -3.44 115.58 115.02 1x6h h ASN 69 Ca 0.15 0.00 -0.47 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 -0.69 0.00 0.37 0.00 -1.65 0.00 0.00 177.43 175.46 1x6h n ALA 71 N -1.64 2.08 0.00 0.00 0.00 -1.26 -4.90 120.51 114.79 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 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 2.24 -1.40 3.77 0.00 0.00 -1.26 -4.75 105.19 103.79 1x6h n GLY 72 Ca 0.00 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.89 4.40 -0.30 1.61 0.04 -1.24 -4.48 135.00 133.14 1x6h s PRO 73 Ca 0.00 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 62.91 1x6h s PRO 73 Cb 0.00 -3.05 0.18 0.00 0.04 0.00 0.00 34.50 31.67 1x6h s PRO 73 CO 0.00 -0.08 1.13 0.16 0.04 0.00 0.00 177.00 178.24 1x6h s ASP 74 N -0.71 -0.29 0.00 6.66 1.47 -1.26 -5.05 116.67 117.49 1x6h s ASP 74 Ca 0.49 0.44 0.00 0.00 1.18 0.00 0.00 52.55 54.66 1x6h s ASP 74 Cb -0.36 1.17 0.00 0.00 -0.34 0.00 0.00 42.92 43.39 1x6h s ASP 74 CO 0.47 -0.07 0.00 0.61 0.68 0.00 0.00 175.17 176.86 1x6h n GLY 75 N 3.68 0.93 4.01 2.12 0.00 -1.26 -5.09 105.19 109.58 1x6h n GLY 75 Ca -0.16 -1.43 -0.19 0.00 0.00 0.00 0.00 46.02 44.24 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 0.12 2.64 -0.06 1.61 -7.23 -1.26 -5.13 120.40 111.09 1x6h s VAL 76 Ca 0.00 -0.90 -0.04 0.00 -1.81 0.00 0.00 61.98 59.23 1x6h s VAL 76 Cb 0.00 -2.74 0.02 0.00 0.56 0.00 0.00 36.38 34.22 1x6h s VAL 76 CO 0.00 0.00 0.14 -1.83 -0.31 0.00 0.00 175.10 173.10 1x6h s GLU 77 N -4.58 0.13 1.15 4.82 -1.05 -1.26 -5.12 118.70 112.79 1x6h s GLU 77 Ca 0.58 0.26 0.00 0.00 -0.15 0.00 0.00 54.97 55.66 1x6h s GLU 77 Cb -0.09 -0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.58 1x6h s GLU 77 CO 0.37 -0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.91 1x6h n GLY 78 N 3.47 -1.64 3.56 -3.83 0.00 -1.26 -4.55 105.19 100.93 1x6h n GLY 78 Ca -0.18 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.48 2.39 0.63 1.61 2.56 -1.26 -4.95 118.70 119.20 1x6h s GLU 79 Ca 0.00 1.23 -0.13 0.00 0.00 0.00 0.00 54.97 56.07 1x6h s GLU 79 Cb 0.00 -4.49 -0.02 0.00 2.00 0.00 0.00 34.13 31.61 1x6h s GLU 79 CO 0.00 -2.96 1.05 0.54 -0.56 0.00 0.00 175.26 173.33 1x6h s ASN 80 N 10.41 5.76 0.81 -1.70 2.20 -1.26 -5.02 114.94 126.13 1x6h s ASN 80 Ca 0.88 1.67 -0.11 0.00 -0.94 0.00 0.00 52.86 54.36 1x6h s ASN 80 Cb -0.17 -2.51 0.08 0.00 -2.00 0.00 0.00 41.25 36.65 1x6h s ASN 80 CO 0.26 -1.19 1.13 -0.55 -2.94 0.00 0.00 177.10 173.81 1x6h s SER 81 N -3.34 3.96 0.00 3.54 0.15 -1.26 -5.06 113.70 111.69 1x6h s SER 81 Ca 0.60 2.04 0.00 0.00 0.70 0.00 0.00 55.95 59.29 1x6h s SER 81 Cb -0.14 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1x6h s SER 81 CO 0.45 -2.41 0.00 0.61 1.20 0.00 0.00 173.24 173.09 1x6h n GLY 82 N -0.44 6.50 3.61 9.45 0.00 -1.26 -5.14 105.19 117.90 1x6h n GLY 82 Ca 0.11 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 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 1.47 -0.89 0.28 1.61 0.04 -1.26 -5.10 135.00 131.15 1x6h s PRO 83 Ca 0.00 0.05 -0.05 0.00 0.04 0.00 0.00 61.00 61.04 1x6h s PRO 83 Cb 0.00 -1.62 -0.01 0.00 0.04 0.00 0.00 34.50 32.90 1x6h s PRO 83 CO 0.00 -3.52 0.38 0.45 0.04 0.00 0.00 177.00 174.36 1x6h s SER 84 N -3.80 0.43 0.45 6.66 0.15 -1.26 -5.18 113.70 111.15 1x6h s SER 84 Ca 0.70 -1.29 0.08 0.00 0.70 0.00 0.00 55.95 56.13 1x6h s SER 84 Cb -0.12 0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1x6h s SER 84 CO 0.56 -1.12 0.43 -0.44 1.20 0.00 0.00 173.24 173.87 1x6h s SER 85 N -3.15 5.05 0.00 5.45 0.01 -1.26 -5.37 113.70 114.42 1x6h s SER 85 Ca 0.30 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1x6h s SER 85 Cb 0.01 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1x6h s SER 85 CO 0.15 -0.78 0.15 0.61 0.41 0.00 0.00 173.24 173.78