#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v6s n ARG 6 N 0.00 2.59 -2.94 0.00 0.63 -1.26 -4.61 116.66 111.08 2v6s n ARG 6 Ca 0.00 0.94 -0.41 0.00 -0.92 0.00 0.00 57.85 57.46 2v6s n ARG 6 Cb 0.00 -2.77 -0.04 0.00 0.45 0.00 0.00 32.46 30.10 2v6s n ARG 6 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2v6s s LEU 7 N 1.38 4.16 0.47 6.15 1.43 0.13 -5.00 118.68 127.40 2v6s s LEU 7 Ca 0.77 1.09 -0.22 0.00 -1.03 0.00 0.00 54.13 54.74 2v6s s LEU 7 Cb -0.55 -3.16 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 2v6s s LEU 7 CO 0.35 -0.38 1.10 0.00 0.23 0.00 0.00 176.35 177.65 2v6s s ALA 8 N 2.16 2.92 0.16 4.21 0.00 -1.26 -4.45 121.76 125.50 2v6s s ALA 8 Ca 0.36 0.78 -0.34 0.00 0.00 0.00 0.00 51.96 52.76 2v6s s ALA 8 Cb -0.16 -3.32 -0.15 0.00 0.00 0.00 0.00 23.12 19.49 2v6s s ALA 8 CO 0.11 -0.48 1.44 0.00 0.00 0.00 0.00 175.76 176.83 2v6s n ALA 9 N -0.65 0.44 -1.10 0.00 0.00 -1.26 -1.75 120.51 116.19 2v6s n ALA 9 Ca 0.08 0.46 -0.03 0.00 0.00 0.00 0.00 53.44 53.95 2v6s n ALA 9 Cb 0.50 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.71 2v6s n ALA 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2v6s n ASN 10 N 2.78 -5.14 -4.75 0.00 5.03 -1.26 -4.98 115.26 106.94 2v6s n ASN 10 Ca 0.16 0.09 -0.32 0.00 0.87 0.00 0.00 54.58 55.38 2v6s n ASN 10 Cb 0.26 -2.95 0.09 0.00 -1.02 0.00 0.00 39.78 36.16 2v6s n ASN 10 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2v6s s SER 11 N -2.19 4.41 0.23 6.41 1.04 -0.72 -4.82 113.70 118.07 2v6s s SER 11 Ca 0.00 2.01 -0.06 0.00 0.48 0.00 0.00 55.95 58.37 2v6s s SER 11 Cb 0.00 -2.55 0.22 0.00 0.10 0.00 0.00 66.02 63.79 2v6s s SER 11 CO 0.00 -2.10 1.85 0.00 0.98 0.00 0.00 173.24 173.97 2v6s h ALA 12 N -0.76 1.16 -0.29 5.32 0.00 -1.94 -1.96 119.26 120.80 2v6s h ALA 12 Ca -0.45 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 2v6s h ALA 12 Cb 1.25 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2v6s h ALA 12 CO 0.50 0.66 -0.16 -0.09 0.00 0.00 0.00 179.25 180.17 2v6s h ARG 13 N 1.23 0.62 -0.31 0.00 9.65 -1.95 -1.90 114.38 121.71 2v6s h ARG 13 Ca 0.30 -0.28 0.03 0.00 -1.10 0.00 0.00 59.98 58.94 2v6s h ARG 13 Cb 0.06 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.59 2v6s h ARG 13 CO -0.05 0.86 0.11 1.25 2.80 0.00 0.00 179.97 184.95 2v6s h LEU 14 N 0.37 0.12 -0.92 3.80 6.46 -1.79 0.50 115.31 123.84 2v6s h LEU 14 Ca 0.06 0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.77 2v6s h LEU 14 Cb 0.69 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 2v6s h LEU 14 CO 0.05 0.10 -0.13 -0.07 -0.62 0.00 0.00 178.44 177.77 2v6s h LEU 15 N 0.25 0.64 -0.10 2.25 3.38 -1.34 0.11 115.31 120.50 2v6s h LEU 15 Ca 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2v6s h LEU 15 Cb 0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2v6s h LEU 15 CO -0.14 0.79 -0.02 -0.61 0.09 0.00 0.00 178.44 178.55 2v6s h GLN 16 N 0.59 0.19 -0.86 1.13 4.15 -1.06 -2.78 115.11 116.47 2v6s h GLN 16 Ca 0.10 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 2v6s h GLN 16 Cb 0.56 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.20 2v6s h GLN 16 CO 0.04 0.50 0.52 -0.07 -1.93 0.00 0.00 178.83 177.88 2v6s h LEU 17 N -0.14 1.04 -1.97 -2.39 3.38 -0.71 -2.75 115.31 111.77 2v6s h LEU 17 Ca 0.02 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2v6s h LEU 17 Cb 0.43 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2v6s h LEU 17 CO 0.01 0.80 -0.01 -0.74 0.09 0.00 0.00 178.44 178.59 2v6s h HIS 18 N 1.18 0.00 0.00 1.13 2.76 -0.70 -1.23 115.15 118.30 2v6s h HIS 18 Ca 0.31 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.46 2v6s h HIS 18 Cb -0.05 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.91 2v6s h HIS 18 CO -0.00 0.02 -0.10 0.87 -1.30 0.00 0.00 177.93 177.41 2v6s h LYS 19 N 0.00 0.00 0.00 5.26 1.57 -1.20 -2.40 116.57 119.80 2v6s h LYS 19 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2v6s h LYS 19 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2v6s h LYS 19 CO 0.00 0.10 0.00 0.25 -0.57 0.00 0.00 179.45 179.24 2v6s n THR 20 N -3.50 0.45 -3.17 -0.16 -2.24 -0.46 -4.13 114.28 101.06 2v6s n THR 20 Ca -0.01 -0.20 -0.20 0.00 -2.27 0.00 0.00 64.05 61.37 2v6s n THR 20 Cb 0.25 -0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 67.86 2v6s n THR 20 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2v6s n VAL 21 N -2.06 0.14 0.49 2.28 0.24 -0.91 -4.91 118.33 113.60 2v6s n VAL 21 Ca 0.06 -4.61 0.09 0.00 -2.04 0.00 0.00 64.34 57.84 2v6s n VAL 21 Cb 0.40 -0.70 0.39 0.00 -1.47 0.00 0.00 33.84 32.46 2v6s n VAL 21 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2v6s n PRO 22 N 0.43 0.08 0.00 7.34 -0.04 -1.21 -1.83 135.00 139.77 2v6s n PRO 22 Ca 0.25 0.30 0.14 0.00 -0.04 0.00 0.00 63.50 64.15 2v6s n PRO 22 Cb 0.61 -1.64 0.58 0.00 -0.04 0.00 0.00 33.50 33.00 2v6s n PRO 22 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2v6s n GLN 23 N -1.78 0.40 -3.36 0.54 1.13 -1.26 -4.85 117.38 108.21 2v6s n GLN 23 Ca 0.03 -0.12 -0.32 0.00 -1.94 0.00 0.00 57.00 54.65 2v6s n GLN 23 Cb 0.21 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.00 2v6s n GLN 23 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2v6s s TRP 24 N -2.68 3.43 -0.19 1.08 0.52 -0.76 -4.76 118.94 115.58 2v6s s TRP 24 Ca 0.23 0.95 -0.03 0.00 0.02 0.00 0.00 56.10 57.27 2v6s s TRP 24 Cb 0.19 -2.32 -0.01 0.00 -1.15 0.00 0.00 33.47 30.19 2v6s s TRP 24 CO 0.52 0.25 -0.07 -1.01 0.02 0.00 0.00 176.95 176.65 2v6s s HIS 25 N -1.82 2.92 0.35 -1.98 3.76 0.28 -4.90 115.29 113.90 2v6s s HIS 25 Ca 0.48 -0.84 -0.28 0.00 -0.15 0.00 0.00 55.06 54.27 2v6s s HIS 25 Cb -0.11 -2.01 -0.10 0.00 1.11 0.00 0.00 32.58 31.47 2v6s s HIS 25 CO 0.20 -0.43 1.28 -0.51 -0.85 0.00 0.00 174.74 174.44 2v6s s LEU 26 N 1.07 4.36 0.46 0.89 1.43 -1.26 -1.15 118.68 124.48 2v6s s LEU 26 Ca 0.01 2.63 0.08 0.00 -1.03 0.00 0.00 54.13 55.81 2v6s s LEU 26 Cb -0.15 -3.74 0.02 0.00 0.03 0.00 0.00 46.19 42.36 2v6s s LEU 26 CO -0.01 -0.60 0.57 0.28 0.23 0.00 0.00 176.35 176.82 2v6s s THR 27 N -1.19 2.65 0.18 5.49 -1.32 -0.78 -4.95 115.64 115.71 2v6s s THR 27 Ca 0.51 -1.10 -0.33 0.00 -1.21 0.00 0.00 61.69 59.56 2v6s s THR 27 Cb -0.38 -2.75 -0.15 0.00 -1.51 0.00 0.00 72.50 67.72 2v6s s THR 27 CO 0.50 0.00 1.35 0.47 -2.21 0.00 0.00 174.62 174.73 2v6s n ASP 28 N -1.88 2.20 0.00 8.08 8.00 -1.26 -0.84 116.55 130.86 2v6s n ASP 28 Ca 0.08 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.71 2v6s n ASP 28 Cb 0.60 -1.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 2v6s n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2v6s n GLY 29 N 2.38 0.51 4.04 0.44 0.00 -1.26 -2.88 105.19 108.43 2v6s n GLY 29 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2v6s n GLY 29 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2v6s n HIS 30 N -2.28 -1.80 0.37 1.61 8.25 -0.02 -4.51 115.22 116.85 2v6s n HIS 30 Ca 0.00 0.80 0.12 0.00 -0.26 0.00 0.00 57.72 58.38 2v6s n HIS 30 Cb 0.08 -3.51 0.15 0.00 1.12 0.00 0.00 29.99 27.83 2v6s n HIS 30 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2v6s h LEU 31 N -1.75 0.00 -7.98 2.41 3.38 -1.68 -3.37 115.31 106.32 2v6s h LEU 31 Ca -0.61 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.35 2v6s h LEU 31 Cb 1.38 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.08 2v6s h LEU 31 CO 0.69 0.04 0.25 -0.94 0.09 0.00 0.00 178.44 178.57 2v6s s SER 32 N -5.00 -0.22 0.01 -0.43 1.04 -1.26 -3.84 113.70 104.00 2v6s s SER 32 Ca 0.05 -0.66 0.07 0.00 0.48 0.00 0.00 55.95 55.90 2v6s s SER 32 Cb 0.10 0.73 -0.02 0.00 0.10 0.00 0.00 66.02 66.93 2v6s s SER 32 CO 0.71 -1.36 -0.23 0.27 0.98 0.00 0.00 173.24 173.62 2v6s s ILE 33 N -3.68 1.80 0.01 -1.02 -4.36 -0.84 -1.87 121.20 111.23 2v6s s ILE 33 Ca 0.12 -1.09 0.07 0.00 -0.26 0.00 0.00 60.65 59.49 2v6s s ILE 33 Cb -0.06 -1.52 -0.02 0.00 1.25 0.00 0.00 42.46 42.11 2v6s s ILE 33 CO 0.07 0.40 -0.22 -0.54 0.24 0.00 0.00 174.94 174.89 2v6s s LYS 34 N -0.82 1.67 -0.12 0.37 1.02 -0.30 -0.21 119.74 121.35 2v6s s LYS 34 Ca 0.09 -0.88 -0.08 0.00 0.02 0.00 0.00 55.97 55.11 2v6s s LYS 34 Cb -0.09 -1.70 0.04 0.00 -0.52 0.00 0.00 37.83 35.56 2v6s s LYS 34 CO 0.00 0.45 0.30 0.50 -0.92 0.00 0.00 175.35 175.68 2v6s s ARG 35 N -0.82 0.31 -0.33 1.68 3.52 -0.35 -0.55 118.95 122.40 2v6s s ARG 35 Ca 0.09 0.51 -0.11 0.00 -0.13 0.00 0.00 55.73 56.08 2v6s s ARG 35 Cb -0.09 0.04 -0.01 0.00 -1.56 0.00 0.00 34.95 33.34 2v6s s ARG 35 CO 0.00 -0.10 0.20 0.21 -0.81 0.00 0.00 175.30 174.80 2v6s s LYS 36 N 0.71 3.32 0.11 5.12 2.20 -1.26 -0.85 119.74 129.09 2v6s s LYS 36 Ca -0.05 -0.75 -0.16 0.00 -0.36 0.00 0.00 55.97 54.66 2v6s s LYS 36 Cb -0.06 -3.70 -0.07 0.00 -1.51 0.00 0.00 37.83 32.49 2v6s s LYS 36 CO -0.05 -0.48 0.54 -0.06 -0.36 0.00 0.00 175.35 174.95 2v6s s PHE 37 N 1.65 3.68 -0.04 4.03 0.40 -0.25 -4.94 117.98 122.52 2v6s s PHE 37 Ca 0.05 1.12 0.03 0.00 -0.60 0.00 0.00 56.93 57.54 2v6s s PHE 37 Cb -0.18 -2.40 0.00 0.00 0.51 0.00 0.00 43.02 40.95 2v6s s PHE 37 CO 0.08 0.50 -0.14 -1.14 0.70 0.00 0.00 175.22 175.22 2v6s s GLN 38 N -1.60 1.48 0.46 0.44 0.74 -1.26 -1.04 119.66 118.87 2v6s s GLN 38 Ca 0.34 -0.48 0.03 0.00 0.05 0.00 0.00 55.36 55.29 2v6s s GLN 38 Cb -0.17 -1.30 -0.02 0.00 1.10 0.00 0.00 33.01 32.62 2v6s s GLN 38 CO 0.19 0.18 0.07 -0.06 -0.55 0.00 0.00 175.29 175.12 2v6s s PHE 39 N 0.14 1.83 0.19 1.67 0.40 -0.05 -5.02 117.98 117.14 2v6s s PHE 39 Ca -0.04 -1.14 -0.08 0.00 -0.60 0.00 0.00 56.93 55.08 2v6s s PHE 39 Cb -0.11 -1.37 0.10 0.00 0.51 0.00 0.00 43.02 42.15 2v6s s PHE 39 CO 0.02 -0.05 1.62 0.77 0.70 0.00 0.00 175.22 178.27 2v6s h SER 40 N 1.58 0.95 -2.75 1.36 0.02 -1.95 -3.46 113.55 109.30 2v6s h SER 40 Ca -0.39 -0.32 -0.08 0.00 -0.84 0.00 0.00 61.79 60.16 2v6s h SER 40 Cb 1.29 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 2v6s h SER 40 CO 0.65 1.08 0.12 -0.90 -1.14 0.00 0.00 176.83 176.64 2v6s n ASP 41 N -4.14 -1.53 -0.17 3.07 5.68 -1.26 -4.95 116.55 113.25 2v6s n ASP 41 Ca 0.01 -2.26 -0.09 0.00 -0.50 0.00 0.00 54.79 51.94 2v6s n ASP 41 Cb 0.41 2.61 0.04 0.00 -1.14 0.00 0.00 41.12 43.03 2v6s n ASP 41 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2v6s h PHE 42 N 1.75 1.10 -0.25 2.11 3.57 -1.91 -2.46 116.94 120.85 2v6s h PHE 42 Ca -0.24 -0.22 0.05 0.00 3.53 0.00 0.00 57.97 61.08 2v6s h PHE 42 Cb 0.92 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 2v6s h PHE 42 CO 0.00 1.03 -0.03 -0.97 -2.23 0.00 0.00 178.31 176.11 2v6s h ASN 43 N 0.87 -0.16 -0.27 0.41 -0.73 -1.97 0.51 115.58 114.25 2v6s h ASN 43 Ca 0.14 0.06 0.01 0.00 1.87 0.00 0.00 56.30 58.38 2v6s h ASN 43 Cb 0.67 0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.36 2v6s h ASN 43 CO 0.05 -0.05 0.15 -0.33 -0.37 0.00 0.00 177.43 176.88 2v6s h GLU 44 N 0.04 0.30 -0.72 6.67 5.08 -1.97 -0.87 114.58 123.11 2v6s h GLU 44 Ca 0.12 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2v6s h GLU 44 Cb 0.17 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2v6s h GLU 44 CO -0.22 0.20 0.46 0.00 -1.00 0.00 0.00 179.01 178.45 2v6s h ALA 45 N 1.13 0.93 -0.56 3.43 0.00 -0.83 -0.64 119.26 122.71 2v6s h ALA 45 Ca 0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2v6s h ALA 45 Cb 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2v6s h ALA 45 CO -0.06 0.28 -0.08 2.35 0.00 0.00 0.00 179.25 181.74 2v6s h TRP 46 N 0.93 1.15 -0.82 0.00 2.91 0.10 0.38 115.95 120.61 2v6s h TRP 46 Ca 0.28 -0.23 0.02 0.00 1.13 0.00 0.00 58.89 60.09 2v6s h TRP 46 Cb -0.04 -0.29 -0.04 0.00 -0.51 0.00 0.00 29.16 28.27 2v6s h TRP 46 CO -0.03 1.05 0.54 0.78 -1.03 0.00 0.00 178.44 179.75 2v6s h GLY 47 N 0.95 1.16 1.01 2.65 0.00 -0.67 0.11 103.07 108.28 2v6s h GLY 47 Ca 0.15 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 2v6s h GLY 47 CO 0.04 0.39 -0.30 -2.75 0.00 0.00 0.00 176.54 173.92 2v6s h PHE 48 N 1.08 -0.79 -0.90 5.60 3.57 -0.83 -3.06 116.94 121.61 2v6s h PHE 48 Ca 0.31 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.89 2v6s h PHE 48 Cb -0.08 0.26 -0.07 0.00 2.79 0.00 0.00 35.95 38.85 2v6s h PHE 48 CO -0.02 -0.49 0.58 0.52 -2.23 0.00 0.00 178.31 176.68 2v6s h MET 49 N -0.86 0.85 -0.76 1.11 2.86 -0.74 -2.23 114.93 115.17 2v6s h MET 49 Ca -0.09 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2v6s h MET 49 Cb 0.65 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 2v6s h MET 49 CO 0.14 0.56 0.49 0.77 1.06 0.00 0.00 176.91 179.93 2v6s h SER 50 N 0.88 0.82 -0.30 1.22 0.02 -0.76 0.19 113.55 115.61 2v6s h SER 50 Ca 0.43 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.25 2v6s h SER 50 Cb 0.45 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2v6s h SER 50 CO -0.19 0.58 -0.24 0.03 -1.14 0.00 0.00 176.83 175.86 2v6s h ARG 51 N 0.97 0.79 -0.31 3.45 3.08 -1.31 -2.91 114.38 118.14 2v6s h ARG 51 Ca 0.29 -0.33 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 2v6s h ARG 51 Cb -0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2v6s h ARG 51 CO -0.09 0.95 -0.34 0.28 -1.07 0.00 0.00 179.97 179.70 2v6s h VAL 52 N 0.69 1.28 -0.35 2.04 2.07 -1.07 -2.35 116.25 118.57 2v6s h VAL 52 Ca 0.09 -1.49 0.02 0.00 0.82 0.00 0.00 66.70 66.14 2v6s h VAL 52 Cb 0.76 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 2v6s h VAL 52 CO 0.06 0.48 0.18 0.00 0.02 0.00 0.00 177.57 178.32 2v6s h ALA 53 N 1.03 0.43 -0.17 1.67 0.00 -0.55 0.29 119.26 121.97 2v6s h ALA 53 Ca 0.06 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2v6s h ALA 53 Cb 0.86 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2v6s h ALA 53 CO 0.08 -0.18 0.06 -0.07 0.00 0.00 0.00 179.25 179.14 2v6s h LEU 54 N 0.38 0.08 -0.19 0.00 3.38 -1.47 -1.54 115.31 115.95 2v6s h LEU 54 Ca 0.14 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.14 2v6s h LEU 54 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2v6s h LEU 54 CO -0.09 0.07 0.09 0.22 0.09 0.00 0.00 178.44 178.82 2v6s h TYR 55 N 0.15 0.16 -0.40 1.13 3.20 -1.14 -2.00 116.97 118.06 2v6s h TYR 55 Ca 0.07 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.98 2v6s h TYR 55 Cb 0.03 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2v6s h TYR 55 CO -0.11 0.09 0.20 0.00 -1.64 0.00 0.00 178.16 176.70 2v6s h ALA 56 N 1.10 0.50 0.00 1.82 0.00 -0.20 -1.72 119.26 120.77 2v6s h ALA 56 Ca 0.08 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2v6s h ALA 56 Cb 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2v6s h ALA 56 CO -0.06 -0.16 -0.45 0.22 0.00 0.00 0.00 179.25 178.79 2v6s h ASP 57 N 0.40 0.00 0.47 0.00 3.58 -1.27 0.90 116.42 120.49 2v6s h ASP 57 Ca 0.17 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 2v6s h ASP 57 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2v6s h ASP 57 CO -0.13 0.45 -0.23 0.50 -2.88 0.00 0.00 179.24 176.96 2v6s h LYS 58 N 0.00 -0.61 -0.01 0.28 3.64 -0.66 -3.16 116.57 116.05 2v6s h LYS 58 Ca -0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2v6s h LYS 58 Cb 1.10 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2v6s h LYS 58 CO 0.06 -0.36 -0.01 1.33 -2.27 0.00 0.00 179.45 178.20 2v6s n VAL 59 N -5.32 0.00 -3.75 2.00 0.24 -0.71 -4.94 118.33 105.84 2v6s n VAL 59 Ca -0.11 -0.18 -0.23 0.00 -2.04 0.00 0.00 64.34 61.78 2v6s n VAL 59 Cb 0.28 0.23 0.02 0.00 -1.47 0.00 0.00 33.84 32.90 2v6s n VAL 59 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2v6s n ASP 60 N -0.16 -1.39 -3.66 -1.34 2.03 0.06 -5.00 116.55 107.08 2v6s n ASP 60 Ca 0.20 -0.88 -0.17 0.00 0.52 0.00 0.00 54.79 54.46 2v6s n ASP 60 Cb 0.29 -3.78 -0.15 0.00 -0.72 0.00 0.00 41.12 36.75 2v6s n ASP 60 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2v6s s HIS 61 N -3.72 -0.19 -0.02 -0.67 2.46 0.09 -5.01 115.29 108.23 2v6s s HIS 61 Ca 0.05 0.61 0.06 0.00 0.47 0.00 0.00 55.06 56.25 2v6s s HIS 61 Cb -0.01 -0.26 -0.03 0.00 -0.13 0.00 0.00 32.58 32.15 2v6s s HIS 61 CO 0.83 -0.29 -0.19 -1.01 -2.47 0.00 0.00 174.74 171.61 2v6s s HIS 62 N 2.30 2.54 0.49 3.88 3.76 -1.26 -4.41 115.29 122.59 2v6s s HIS 62 Ca 0.03 -0.27 -0.19 0.00 -0.15 0.00 0.00 55.06 54.47 2v6s s HIS 62 Cb -0.12 -1.54 -0.08 0.00 1.11 0.00 0.00 32.58 31.94 2v6s s HIS 62 CO -0.06 0.13 1.02 -1.25 -0.85 0.00 0.00 174.74 173.73 2v6s s PRO 63 N -0.87 3.82 -0.66 8.40 0.04 -1.26 -4.82 135.00 139.64 2v6s s PRO 63 Ca 0.12 1.26 -0.19 0.00 0.04 0.00 0.00 61.00 62.23 2v6s s PRO 63 Cb -0.10 -2.10 0.11 0.00 0.04 0.00 0.00 34.50 32.44 2v6s s PRO 63 CO 0.01 -0.40 0.80 -0.80 0.04 0.00 0.00 177.00 176.65 2v6s s ASN 64 N -2.22 6.28 0.00 6.66 0.02 -0.86 -5.01 114.94 119.82 2v6s s ASN 64 Ca 0.65 -1.55 0.06 0.00 -1.02 0.00 0.00 52.86 51.00 2v6s s ASN 64 Cb -0.14 -2.32 -0.02 0.00 0.02 0.00 0.00 41.25 38.78 2v6s s ASN 64 CO 0.22 -1.11 -0.19 -1.66 0.02 0.00 0.00 177.10 174.37 2v6s s TRP 65 N 2.68 1.69 -0.25 2.20 -2.14 -1.26 -0.68 118.94 121.19 2v6s s TRP 65 Ca 0.16 -0.33 0.03 0.00 2.66 0.00 0.00 56.10 58.61 2v6s s TRP 65 Cb -0.20 -1.06 0.05 0.00 -3.10 0.00 0.00 33.47 29.17 2v6s s TRP 65 CO 0.04 0.01 -0.12 -0.47 -2.66 0.00 0.00 176.95 173.74 2v6s s TYR 66 N -0.56 3.16 -0.19 1.66 5.04 0.46 -4.94 117.35 121.99 2v6s s TYR 66 Ca 0.07 -2.20 -0.08 0.00 -2.44 0.00 0.00 57.07 52.43 2v6s s TYR 66 Cb -0.08 -1.92 -0.04 0.00 0.35 0.00 0.00 41.96 40.28 2v6s s TYR 66 CO 0.00 -0.86 0.07 1.21 -1.34 0.00 0.00 175.55 174.63 2v6s s ASN 67 N 1.14 5.63 -0.26 4.32 3.84 -1.26 0.23 114.94 128.58 2v6s s ASN 67 Ca -0.07 0.06 -0.02 0.00 0.21 0.00 0.00 52.86 53.05 2v6s s ASN 67 Cb -0.19 -1.97 0.08 0.00 -0.55 0.00 0.00 41.25 38.62 2v6s s ASN 67 CO -0.06 0.15 0.06 -0.69 -2.79 0.00 0.00 177.10 173.77 2v6s s VAL 68 N 0.51 0.77 0.00 -5.21 1.01 -0.68 -5.02 120.40 111.78 2v6s s VAL 68 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.97 2v6s s VAL 68 Cb -0.13 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2v6s s VAL 68 CO 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 175.10 174.66 2v6s n TYR 69 N 4.92 0.00 1.26 5.22 9.36 -1.26 -1.84 117.16 134.82 2v6s n TYR 69 Ca -0.06 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.29 2v6s n TYR 69 Cb 0.44 0.00 0.37 0.00 -0.63 0.00 0.00 39.34 39.52 2v6s n TYR 69 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2v6s n ASN 70 N 8.32 2.07 -4.46 2.98 6.94 -1.26 -4.11 115.26 125.74 2v6s n ASN 70 Ca 0.00 -1.70 -0.30 0.00 -0.02 0.00 0.00 54.58 52.56 2v6s n ASN 70 Cb 0.00 -0.02 -0.12 0.00 -2.36 0.00 0.00 39.78 37.27 2v6s n ASN 70 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2v6s s THR 71 N -1.95 2.74 -0.26 5.53 -4.23 -0.77 -0.87 115.64 115.83 2v6s s THR 71 Ca 0.34 -1.33 -0.00 0.00 -1.18 0.00 0.00 61.69 59.52 2v6s s THR 71 Cb 0.20 -2.19 0.08 0.00 1.34 0.00 0.00 72.50 71.93 2v6s s THR 71 CO 0.32 0.25 0.03 -0.69 -0.54 0.00 0.00 174.62 173.99 2v6s s VAL 72 N -1.00 1.09 -0.41 2.29 1.01 -0.20 -1.69 120.40 121.49 2v6s s VAL 72 Ca 0.16 -1.21 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 2v6s s VAL 72 Cb -0.10 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.66 2v6s s VAL 72 CO 0.07 -0.39 0.57 -0.62 0.00 0.00 0.00 175.10 174.73 2v6s s ASP 73 N 1.55 6.30 -0.10 3.32 2.15 0.13 -1.09 116.67 128.94 2v6s s ASP 73 Ca 0.03 -0.31 0.03 0.00 0.43 0.00 0.00 52.55 52.72 2v6s s ASP 73 Cb -0.18 -2.29 -0.01 0.00 -0.30 0.00 0.00 42.92 40.14 2v6s s ASP 73 CO -0.14 -0.66 -0.19 -0.69 -0.17 0.00 0.00 175.17 173.33 2v6s s VAL 74 N 2.57 2.56 -0.10 1.11 1.01 -0.03 -0.40 120.40 127.11 2v6s s VAL 74 Ca 0.19 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2v6s s VAL 74 Cb -0.15 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.23 2v6s s VAL 74 CO 0.16 0.55 -0.15 -0.70 0.00 0.00 0.00 175.10 174.96 2v6s s GLU 75 N 0.16 2.12 -0.13 2.72 2.12 0.15 -1.21 118.70 124.63 2v6s s GLU 75 Ca -0.10 -0.53 -0.01 0.00 0.36 0.00 0.00 54.97 54.68 2v6s s GLU 75 Cb -0.16 -1.79 -0.02 0.00 0.26 0.00 0.00 34.13 32.42 2v6s s GLU 75 CO 0.06 -0.03 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.16 2v6s s LEU 76 N 0.89 3.07 0.13 2.70 1.43 0.70 -2.03 118.68 125.58 2v6s s LEU 76 Ca -0.09 -0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 52.61 2v6s s LEU 76 Cb -0.15 -1.71 0.07 0.00 0.03 0.00 0.00 46.19 44.43 2v6s s LEU 76 CO 0.00 0.22 0.62 -0.94 0.23 0.00 0.00 176.35 176.48 2v6s s SER 77 N 0.07 -0.57 -0.39 2.29 1.04 -1.26 -1.98 113.70 112.90 2v6s s SER 77 Ca -0.02 0.06 -0.20 0.00 0.48 0.00 0.00 55.95 56.27 2v6s s SER 77 Cb -0.14 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.58 2v6s s SER 77 CO 0.03 -0.92 0.60 -0.89 0.98 0.00 0.00 173.24 173.04 2v6s s THR 78 N -3.50 4.90 0.37 2.02 2.01 -0.62 -4.95 115.64 115.86 2v6s s THR 78 Ca 0.00 0.29 0.04 0.00 0.31 0.00 0.00 61.69 62.33 2v6s s THR 78 Cb -0.01 -4.11 0.25 0.00 0.01 0.00 0.00 72.50 68.65 2v6s s THR 78 CO -0.11 -0.42 2.01 1.12 -0.69 0.00 0.00 174.62 176.54 2v6s h HIS 79 N 8.65 0.66 0.00 4.92 2.07 -1.97 -1.68 115.15 127.80 2v6s h HIS 79 Ca -0.26 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.26 2v6s h HIS 79 Cb 1.11 -0.22 0.00 0.00 2.57 0.00 0.00 27.41 30.87 2v6s h HIS 79 CO 0.73 0.44 -0.12 -0.25 -3.07 0.00 0.00 177.93 175.65 2v6s n ASP 80 N -4.44 0.20 -0.00 3.10 8.00 -1.26 -3.91 116.55 118.24 2v6s n ASP 80 Ca 0.04 0.34 0.08 0.00 0.71 0.00 0.00 54.79 55.97 2v6s n ASP 80 Cb 0.07 -0.36 -0.11 0.00 -0.02 0.00 0.00 41.12 40.70 2v6s n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2v6s n ALA 81 N -1.54 3.55 -3.82 2.24 0.00 -0.66 -5.01 120.51 115.28 2v6s n ALA 81 Ca 0.06 -0.45 -0.27 0.00 0.00 0.00 0.00 53.44 52.78 2v6s n ALA 81 Cb 0.35 -0.61 0.03 0.00 0.00 0.00 0.00 19.45 19.23 2v6s n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2v6s n ALA 82 N -1.70 -1.49 0.00 0.00 0.00 -1.04 -4.85 120.51 111.43 2v6s n ALA 82 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2v6s n ALA 82 Cb 0.34 -3.92 0.00 0.00 0.00 0.00 0.00 19.45 15.87 2v6s n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2v6s n GLY 83 N -1.69 -0.58 3.86 0.00 0.00 -1.25 -4.96 105.19 100.57 2v6s n GLY 83 Ca -0.05 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 2v6s n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2v6s s LEU 84 N 0.00 4.36 0.40 0.99 1.43 -1.25 -1.60 118.68 123.02 2v6s s LEU 84 Ca 0.00 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.04 2v6s s LEU 84 Cb 0.00 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 2v6s s LEU 84 CO 0.00 0.16 0.07 0.42 0.23 0.00 0.00 176.35 177.24 2v6s s THR 85 N -1.39 1.00 0.34 5.49 -4.23 -1.26 0.22 115.64 115.81 2v6s s THR 85 Ca 0.34 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.96 2v6s s THR 85 Cb -0.15 -2.50 0.33 0.00 1.34 0.00 0.00 72.50 71.53 2v6s s THR 85 CO 0.18 0.00 1.75 -0.33 -0.54 0.00 0.00 174.62 175.68 2v6s h GLU 86 N 1.79 0.56 -0.34 3.99 4.39 -2.00 -2.37 114.58 120.60 2v6s h GLU 86 Ca -0.39 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2v6s h GLU 86 Cb 1.27 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 2v6s h GLU 86 CO 0.66 0.37 0.22 0.87 -1.16 0.00 0.00 179.01 179.97 2v6s h LYS 87 N 0.58 0.45 -0.39 2.33 1.57 -1.97 -0.34 116.57 118.79 2v6s h LYS 87 Ca 0.61 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 59.30 2v6s h LYS 87 Cb 1.21 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 2v6s h LYS 87 CO -0.40 0.30 0.01 -0.44 -0.57 0.00 0.00 179.45 178.35 2v6s h ASP 88 N 0.46 0.67 -0.27 0.86 3.32 -1.81 -1.05 116.42 118.61 2v6s h ASP 88 Ca 0.12 -0.30 -0.17 0.00 0.02 0.00 0.00 57.03 56.70 2v6s h ASP 88 Cb -0.04 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 2v6s h ASP 88 CO -0.03 0.81 -0.48 -0.26 -1.72 0.00 0.00 179.24 177.57 2v6s h PHE 89 N 0.51 1.04 -0.55 4.55 -1.00 -1.43 0.10 116.94 120.15 2v6s h PHE 89 Ca 0.11 -0.34 0.04 0.00 2.81 0.00 0.00 57.97 60.59 2v6s h PHE 89 Cb 0.46 -0.21 -0.04 0.00 3.61 0.00 0.00 35.95 39.77 2v6s h PHE 89 CO 0.04 1.15 0.31 0.00 -1.61 0.00 0.00 178.31 178.20 2v6s h ALA 90 N 0.79 0.72 -0.16 2.45 0.00 -1.06 -0.01 119.26 121.97 2v6s h ALA 90 Ca 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2v6s h ALA 90 Cb 1.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2v6s h ALA 90 CO 0.11 -0.01 0.04 1.25 0.00 0.00 0.00 179.25 180.64 2v6s h LEU 91 N 0.60 0.25 -0.70 0.00 5.85 -1.10 -1.51 115.31 118.70 2v6s h LEU 91 Ca 0.24 -0.23 0.14 0.00 0.84 0.00 0.00 57.88 58.86 2v6s h LEU 91 Cb 0.09 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 40.96 2v6s h LEU 91 CO -0.14 0.42 0.21 0.00 -0.34 0.00 0.00 178.44 178.59 2v6s h ALA 92 N 0.84 0.91 -0.44 1.25 0.00 -0.73 -0.14 119.26 120.96 2v6s h ALA 92 Ca 0.05 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2v6s h ALA 92 Cb 0.26 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2v6s h ALA 92 CO 0.00 -0.28 0.11 -0.22 0.00 0.00 0.00 179.25 178.86 2v6s h LYS 93 N 0.33 0.70 -0.72 0.00 3.64 -0.87 -0.37 116.57 119.28 2v6s h LYS 93 Ca 0.38 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 2v6s h LYS 93 Cb 0.60 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 2v6s h LYS 93 CO -0.44 0.70 0.47 0.35 -2.27 0.00 0.00 179.45 178.26 2v6s h PHE 94 N 0.57 0.89 -0.51 1.91 3.57 -0.51 -1.46 116.94 121.39 2v6s h PHE 94 Ca 0.14 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2v6s h PHE 94 Cb 0.31 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2v6s h PHE 94 CO 0.02 0.54 0.25 0.52 -2.23 0.00 0.00 178.31 177.40 2v6s h MET 95 N 0.95 0.73 -0.49 1.11 2.86 -0.86 -0.97 114.93 118.26 2v6s h MET 95 Ca 0.27 -0.11 0.05 0.00 -2.06 0.00 0.00 59.70 57.86 2v6s h MET 95 Cb -0.07 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.41 2v6s h MET 95 CO -0.08 0.61 0.22 -0.44 1.06 0.00 0.00 176.91 178.28 2v6s h ASP 96 N 0.68 0.28 -0.39 1.22 3.32 -0.78 -0.28 116.42 120.46 2v6s h ASP 96 Ca 0.17 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 2v6s h ASP 96 Cb 0.12 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2v6s h ASP 96 CO -0.02 0.19 0.09 0.44 -1.72 0.00 0.00 179.24 178.22 2v6s h ASP 97 N 0.42 0.59 -0.93 6.45 3.32 -1.01 -1.56 116.42 123.70 2v6s h ASP 97 Ca 0.23 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 57.06 2v6s h ASP 97 Cb 0.19 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 2v6s h ASP 97 CO -0.19 0.67 0.62 0.00 -1.72 0.00 0.00 179.24 178.61 2v6s h ALA 98 N 0.94 1.20 -0.22 3.45 0.00 -1.02 -2.79 119.26 120.82 2v6s h ALA 98 Ca 0.12 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2v6s h ALA 98 Cb 0.31 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2v6s h ALA 98 CO 0.00 0.56 -0.25 0.00 0.00 0.00 0.00 179.25 179.56 2v6s h ALA 99 N 1.35 1.17 -0.96 0.00 0.00 -0.75 -3.19 119.26 116.89 2v6s h ALA 99 Ca 0.35 -0.33 0.17 0.00 0.00 0.00 0.00 54.91 55.10 2v6s h ALA 99 Cb -0.11 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.48 2v6s h ALA 99 CO -0.08 0.53 0.61 0.87 0.00 0.00 0.00 179.25 181.17 2v6s h LYS 100 N 0.36 0.68 -0.11 0.00 1.57 -1.00 -1.49 116.57 116.58 2v6s h LYS 100 Ca 0.05 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2v6s h LYS 100 Cb 0.64 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 2v6s h LYS 100 CO 0.05 0.45 0.25 -0.91 -0.57 0.00 0.00 179.45 178.72 2v6s h ASN 101 N 0.71 0.00 -0.03 0.86 2.35 -1.65 -3.52 115.58 114.30 2v6s h ASN 101 Ca 0.51 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.26 2v6s h ASN 101 Cb 0.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.23 2v6s h ASN 101 CO -0.27 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.00