#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k6c s GLN 2 N 0.00 3.69 -0.17 0.54 0.74 -1.26 -5.09 119.66 118.10 1k6c s GLN 2 Ca 0.00 -0.48 -0.03 0.00 0.05 0.00 0.00 55.36 54.91 1k6c s GLN 2 Cb 0.00 -3.18 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 1k6c s GLN 2 CO 0.00 -0.02 -0.07 0.42 -0.55 0.00 0.00 175.29 175.08 1k6c s ILE 3 N 1.11 3.41 0.53 -2.34 1.01 -1.26 -5.11 121.20 118.55 1k6c s ILE 3 Ca 0.03 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 1k6c s ILE 3 Cb -0.14 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 1k6c s ILE 3 CO 0.02 0.47 0.83 0.42 0.00 0.00 0.00 174.94 176.68 1k6c s THR 4 N 0.82 4.15 -0.23 2.92 -4.23 -1.26 -5.04 115.64 112.76 1k6c s THR 4 Ca -0.02 -0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.62 1k6c s THR 4 Cb -0.15 -3.60 0.56 0.00 1.34 0.00 0.00 72.50 70.65 1k6c s THR 4 CO 0.01 -0.58 1.50 0.18 -0.54 0.00 0.00 174.62 175.19 1k6c n LEU 5 N -2.39 4.33 0.19 4.79 4.77 -1.26 -4.53 117.00 122.90 1k6c n LEU 5 Ca 0.03 -3.25 0.05 0.00 -0.03 0.00 0.00 56.01 52.81 1k6c n LEU 5 Cb 0.57 -0.60 0.38 0.00 -2.33 0.00 0.00 43.42 41.43 1k6c n LEU 5 CO 0.52 0.84 0.71 -0.50 -1.33 0.00 0.00 177.39 177.63 1k6c h TRP 6 N 1.73 0.00 -2.19 -1.77 4.06 -2.06 -3.43 115.95 112.28 1k6c h TRP 6 Ca 0.10 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.47 1k6c h TRP 6 Cb 1.66 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.68 1k6c h TRP 6 CO 0.77 0.37 -0.71 0.15 -3.56 0.00 0.00 178.44 175.45 1k6c s LYS 7 N -3.84 1.70 0.25 0.49 1.02 -1.26 -5.10 119.74 113.00 1k6c s LYS 7 Ca -0.01 -1.83 -0.31 0.00 0.02 0.00 0.00 55.97 53.84 1k6c s LYS 7 Cb 0.12 -1.62 -0.12 0.00 -0.52 0.00 0.00 37.83 35.70 1k6c s LYS 7 CO 0.69 0.20 1.65 1.03 -0.92 0.00 0.00 175.35 178.00 1k6c s ARG 8 N -3.59 4.13 -1.23 1.68 0.52 -1.26 -4.86 118.95 114.34 1k6c s ARG 8 Ca 0.30 2.58 -0.20 0.00 -0.52 0.00 0.00 55.73 57.90 1k6c s ARG 8 Cb -0.00 -3.05 -0.01 0.00 0.52 0.00 0.00 34.95 32.40 1k6c s ARG 8 CO 0.15 -0.68 1.88 -0.35 0.02 0.00 0.00 175.30 176.31 1k6c n PRO 9 N 3.06 2.43 -3.58 3.54 -0.04 -1.26 -4.95 135.00 134.20 1k6c n PRO 9 Ca 0.12 -2.79 -0.36 0.00 -0.04 0.00 0.00 63.50 60.43 1k6c n PRO 9 Cb 0.36 -3.51 -0.06 0.00 -0.04 0.00 0.00 33.50 30.26 1k6c n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1k6c s LEU 10 N 6.23 4.41 0.14 1.53 1.43 -1.26 -1.00 118.68 130.15 1k6c s LEU 10 Ca 0.59 0.83 -0.00 0.00 -1.03 0.00 0.00 54.13 54.52 1k6c s LEU 10 Cb 0.04 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1k6c s LEU 10 CO 0.09 0.27 0.04 0.68 0.23 0.00 0.00 176.35 177.65 1k6c s VAL 11 N -1.22 0.24 -0.14 -1.59 -7.23 0.38 -4.95 120.40 105.90 1k6c s VAL 11 Ca 0.27 -1.92 -0.13 0.00 -1.81 0.00 0.00 61.98 58.38 1k6c s VAL 11 Cb -0.15 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 1k6c s VAL 11 CO 0.15 -0.49 0.30 -0.89 -0.31 0.00 0.00 175.10 173.86 1k6c s THR 12 N -3.95 5.29 0.20 5.32 2.01 -1.26 -0.45 115.64 122.80 1k6c s THR 12 Ca 0.23 0.56 0.11 0.00 0.31 0.00 0.00 61.69 62.90 1k6c s THR 12 Cb 0.07 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1k6c s THR 12 CO 0.02 0.43 -0.22 0.27 -0.69 0.00 0.00 174.62 174.43 1k6c s ILE 13 N 0.16 2.22 -0.10 1.82 -4.36 0.11 -1.85 121.20 119.19 1k6c s ILE 13 Ca 0.17 -2.08 0.02 0.00 -0.26 0.00 0.00 60.65 58.51 1k6c s ILE 13 Cb -0.13 -2.08 0.01 0.00 1.25 0.00 0.00 42.46 41.50 1k6c s ILE 13 CO 0.05 -0.23 -0.17 -0.60 0.24 0.00 0.00 174.94 174.22 1k6c s ARG 14 N -2.89 2.36 -0.17 0.37 3.52 -0.32 -1.01 118.95 120.81 1k6c s ARG 14 Ca 0.21 -0.63 -0.10 0.00 -0.13 0.00 0.00 55.73 55.08 1k6c s ARG 14 Cb -0.07 -1.91 0.06 0.00 -1.56 0.00 0.00 34.95 31.47 1k6c s ARG 14 CO 0.10 0.03 0.41 -1.50 -0.81 0.00 0.00 175.30 173.52 1k6c s ILE 15 N 0.73 -0.02 -0.76 4.11 2.07 0.34 -1.79 121.20 125.88 1k6c s ILE 15 Ca -0.12 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 1k6c s ILE 15 Cb -0.16 -0.60 0.00 0.00 0.13 0.00 0.00 42.46 41.83 1k6c s ILE 15 CO 0.02 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 1k6c n GLY 16 N 4.00 0.85 1.94 1.50 0.00 -1.26 -0.97 105.19 111.24 1k6c n GLY 16 Ca -0.22 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1k6c n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6c n GLY 17 N -0.98 0.41 3.32 -0.02 0.00 -1.26 -5.05 105.19 101.61 1k6c n GLY 17 Ca -0.07 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 1k6c n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k6c s GLN 18 N -2.76 1.28 -0.12 1.61 0.74 -0.15 -5.14 119.66 115.13 1k6c s GLN 18 Ca 0.00 -1.20 -0.05 0.00 0.05 0.00 0.00 55.36 54.16 1k6c s GLN 18 Cb 0.00 -1.61 -0.04 0.00 1.10 0.00 0.00 33.01 32.46 1k6c s GLN 18 CO 0.00 0.38 0.06 -0.51 -0.55 0.00 0.00 175.29 174.67 1k6c s LEU 19 N -1.84 3.89 0.19 3.68 1.43 -1.26 -0.50 118.68 124.27 1k6c s LEU 19 Ca 0.09 0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 53.33 1k6c s LEU 19 Cb -0.10 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1k6c s LEU 19 CO 0.04 0.34 0.33 -0.54 0.23 0.00 0.00 176.35 176.75 1k6c s LYS 20 N -0.63 1.27 -0.09 1.70 1.02 -0.18 -4.99 119.74 117.85 1k6c s LYS 20 Ca 0.11 -1.23 -0.01 0.00 0.02 0.00 0.00 55.97 54.86 1k6c s LYS 20 Cb -0.12 0.40 -0.03 0.00 -0.52 0.00 0.00 37.83 37.56 1k6c s LYS 20 CO 0.02 -0.49 -0.02 -2.00 -0.92 0.00 0.00 175.35 171.95 1k6c s GLU 21 N -4.00 2.98 0.07 1.68 2.12 -1.26 0.04 118.70 120.33 1k6c s GLU 21 Ca 0.20 -0.44 -0.07 0.00 0.36 0.00 0.00 54.97 55.02 1k6c s GLU 21 Cb 0.02 -2.76 -0.01 0.00 0.26 0.00 0.00 34.13 31.65 1k6c s GLU 21 CO 0.03 0.67 0.13 0.00 -0.54 0.00 0.00 175.26 175.55 1k6c s ALA 22 N -0.79 -0.03 -0.19 6.30 0.00 0.40 -4.56 121.76 122.90 1k6c s ALA 22 Ca 0.12 -0.75 -0.09 0.00 0.00 0.00 0.00 51.96 51.23 1k6c s ALA 22 Cb -0.11 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.37 1k6c s ALA 22 CO 0.02 -0.46 0.12 -1.17 0.00 0.00 0.00 175.76 174.27 1k6c s LEU 23 N -2.80 4.16 -0.43 0.00 2.96 -0.23 -0.47 118.68 121.87 1k6c s LEU 23 Ca 0.04 0.23 -0.29 0.00 -0.22 0.00 0.00 54.13 53.89 1k6c s LEU 23 Cb 0.05 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.70 1k6c s LEU 23 CO -0.10 0.20 1.17 -0.76 -1.32 0.00 0.00 176.35 175.53 1k6c s LEU 24 N 0.24 3.70 -0.32 -0.68 1.43 -0.17 -0.63 118.68 122.25 1k6c s LEU 24 Ca 0.08 0.66 0.03 0.00 -1.03 0.00 0.00 54.13 53.87 1k6c s LEU 24 Cb -0.11 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 42.65 1k6c s LEU 24 CO -0.01 -1.19 0.04 -0.62 0.23 0.00 0.00 176.35 174.80 1k6c s ASP 25 N 2.48 4.50 0.21 2.29 2.15 -0.70 -4.80 116.67 122.81 1k6c s ASP 25 Ca 0.49 -1.91 0.24 0.00 0.43 0.00 0.00 52.55 51.80 1k6c s ASP 25 Cb -0.09 -1.41 0.91 0.00 -0.30 0.00 0.00 42.92 42.03 1k6c s ASP 25 CO 0.28 -0.37 1.72 0.35 -0.17 0.00 0.00 175.17 176.99 1k6c n THR 26 N 4.44 0.73 1.10 1.71 -2.24 -1.26 -2.70 114.28 116.05 1k6c n THR 26 Ca 0.00 0.06 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 1k6c n THR 26 Cb 0.42 -0.94 0.36 0.00 -2.10 0.00 0.00 70.33 68.08 1k6c n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k6c n GLY 27 N 0.48 -1.10 3.66 3.38 0.00 -1.26 -4.81 105.19 105.53 1k6c n GLY 27 Ca 0.04 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1k6c n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k6c s ALA 28 N -2.83 3.58 0.23 4.61 0.00 -1.10 -4.97 121.76 121.28 1k6c s ALA 28 Ca 0.16 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 1k6c s ALA 28 Cb 0.18 -2.53 0.23 0.00 0.00 0.00 0.00 23.12 21.01 1k6c s ALA 28 CO 0.61 -0.32 1.61 -0.44 0.00 0.00 0.00 175.76 177.23 1k6c h ASP 29 N 7.56 0.61 -1.39 0.00 3.32 -1.87 -1.27 116.42 123.39 1k6c h ASP 29 Ca -0.36 -0.26 -0.64 0.00 0.02 0.00 0.00 57.03 55.79 1k6c h ASP 29 Cb 1.17 -0.17 -0.13 0.00 0.22 0.00 0.00 39.33 40.41 1k6c h ASP 29 CO 0.68 0.92 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.73 1k6c s ASP 30 N -6.83 3.89 -0.22 6.45 1.01 -1.26 -2.89 116.67 116.82 1k6c s ASP 30 Ca -0.08 -1.45 -0.09 0.00 0.71 0.00 0.00 52.55 51.64 1k6c s ASP 30 Cb 0.13 -0.14 -0.05 0.00 1.01 0.00 0.00 42.92 43.87 1k6c s ASP 30 CO 0.82 -0.57 0.12 -0.89 0.21 0.00 0.00 175.17 174.87 1k6c s THR 31 N -2.78 5.10 -0.04 -1.27 2.01 -1.26 -3.14 115.64 114.26 1k6c s THR 31 Ca 0.27 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.37 1k6c s THR 31 Cb 0.08 -3.35 0.02 0.00 0.01 0.00 0.00 72.50 69.26 1k6c s THR 31 CO 0.14 0.39 -0.05 0.54 -0.69 0.00 0.00 174.62 174.95 1k6c s VAL 32 N 0.82 0.54 0.24 3.82 0.11 -0.73 -1.14 120.40 124.06 1k6c s VAL 32 Ca 0.06 -0.12 0.10 0.00 -2.93 0.00 0.00 61.98 59.09 1k6c s VAL 32 Cb -0.13 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1k6c s VAL 32 CO 0.02 0.23 -0.06 -0.76 -3.33 0.00 0.00 175.10 171.20 1k6c s LEU 33 N 0.92 3.03 0.90 2.54 1.43 0.16 -1.28 118.68 126.37 1k6c s LEU 33 Ca -0.11 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.19 1k6c s LEU 33 Cb -0.14 -1.60 0.12 0.00 0.03 0.00 0.00 46.19 44.59 1k6c s LEU 33 CO 0.00 0.04 1.05 -1.84 0.23 0.00 0.00 176.35 175.83 1k6c n GLU 34 N -0.57 -0.29 -1.72 1.70 0.28 -1.26 -1.84 120.64 116.94 1k6c n GLU 34 Ca -0.08 -0.02 -0.43 0.00 -0.16 0.00 0.00 57.16 56.48 1k6c n GLU 34 Cb 0.58 -2.31 -0.02 0.00 1.43 0.00 0.00 31.44 31.12 1k6c n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1k6c n GLU 35 N -3.66 2.43 -3.68 3.44 1.02 -1.13 -4.46 120.64 114.58 1k6c n GLU 35 Ca 0.12 0.86 -0.03 0.00 -0.02 0.00 0.00 57.16 58.08 1k6c n GLU 35 Cb 0.52 -2.58 -0.01 0.00 -0.02 0.00 0.00 31.44 29.34 1k6c n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k6c s MET 36 N -0.63 0.96 -0.18 3.49 0.23 -1.26 -5.00 119.30 116.91 1k6c s MET 36 Ca 0.64 -0.50 -0.18 0.00 -1.03 0.00 0.00 55.69 54.62 1k6c s MET 36 Cb -0.55 0.34 -0.04 0.00 -1.53 0.00 0.00 34.83 33.05 1k6c s MET 36 CO 0.50 -0.44 0.50 -0.80 -2.03 0.00 0.00 175.02 172.76 1k6c s ASN 37 N -2.85 6.58 -0.07 -1.18 0.01 -1.26 -5.05 114.94 111.13 1k6c s ASN 37 Ca 0.11 0.70 0.04 0.00 -0.71 0.00 0.00 52.86 53.00 1k6c s ASN 37 Cb -0.00 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.38 1k6c s ASN 37 CO -0.01 -0.13 -0.18 -0.76 -1.51 0.00 0.00 177.10 174.51 1k6c s LEU 38 N 1.36 1.88 0.75 0.60 1.43 -1.26 -5.04 118.68 118.40 1k6c s LEU 38 Ca 0.24 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.80 1k6c s LEU 38 Cb -0.15 -1.07 0.05 0.00 0.03 0.00 0.00 46.19 45.05 1k6c s LEU 38 CO 0.10 0.12 1.15 -2.16 0.23 0.00 0.00 176.35 175.79 1k6c s PRO 39 N 0.32 2.14 0.00 1.29 0.04 -1.26 -4.85 135.00 132.68 1k6c s PRO 39 Ca -0.12 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1k6c s PRO 39 Cb -0.15 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1k6c s PRO 39 CO 0.05 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 175.72 1k6c n GLY 40 N -0.16 -2.94 3.90 0.56 0.00 -1.26 -5.01 105.19 100.28 1k6c n GLY 40 Ca 0.12 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 1k6c n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k6c s ARG 41 N -0.89 3.57 0.12 1.61 3.52 -1.26 -5.11 118.95 120.51 1k6c s ARG 41 Ca 0.00 -0.16 0.06 0.00 -0.13 0.00 0.00 55.73 55.50 1k6c s ARG 41 Cb 0.00 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 1k6c s ARG 41 CO 0.00 0.56 -0.14 1.67 -0.81 0.00 0.00 175.30 176.58 1k6c s TRP 42 N -1.51 1.38 -0.03 5.12 1.48 -1.26 -4.61 118.94 119.51 1k6c s TRP 42 Ca 0.35 -0.56 0.06 0.00 -1.06 0.00 0.00 56.10 54.89 1k6c s TRP 42 Cb -0.13 -0.72 -0.01 0.00 -1.16 0.00 0.00 33.47 31.45 1k6c s TRP 42 CO 0.23 0.14 -0.22 -1.59 -4.06 0.00 0.00 176.95 171.44 1k6c s LYS 43 N -2.70 1.93 0.33 3.25 -2.85 -1.01 -4.87 119.74 113.81 1k6c s LYS 43 Ca 0.09 -0.79 -0.29 0.00 -1.00 0.00 0.00 55.97 53.98 1k6c s LYS 43 Cb -0.05 -1.79 -0.11 0.00 -2.06 0.00 0.00 37.83 33.83 1k6c s LYS 43 CO 0.03 0.43 1.43 -2.14 0.10 0.00 0.00 175.35 175.19 1k6c s PRO 44 N -0.38 4.22 0.15 1.78 0.02 -1.26 -1.03 135.00 138.50 1k6c s PRO 44 Ca 0.05 2.40 -0.12 0.00 0.02 0.00 0.00 61.00 63.34 1k6c s PRO 44 Cb -0.10 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.40 1k6c s PRO 44 CO 0.00 -0.40 0.35 0.21 -0.33 0.00 0.00 177.00 176.83 1k6c s LYS 45 N -1.53 1.13 -0.03 5.54 2.20 -0.10 -4.89 119.74 122.06 1k6c s LYS 45 Ca 0.54 -0.96 0.02 0.00 -0.36 0.00 0.00 55.97 55.21 1k6c s LYS 45 Cb -0.43 0.43 0.01 0.00 -1.51 0.00 0.00 37.83 36.32 1k6c s LYS 45 CO 0.55 -0.43 -0.09 -1.64 -0.36 0.00 0.00 175.35 173.38 1k6c s MET 46 N -3.89 1.02 0.17 4.03 -1.94 -1.26 -0.06 119.30 117.36 1k6c s MET 46 Ca 0.10 -0.29 0.08 0.00 -1.71 0.00 0.00 55.69 53.87 1k6c s MET 46 Cb 0.02 -0.94 -0.04 0.00 2.01 0.00 0.00 34.83 35.88 1k6c s MET 46 CO -0.05 0.08 -0.18 0.96 -0.01 0.00 0.00 175.02 175.82 1k6c s ILE 47 N 0.34 1.81 0.12 2.53 -4.36 -0.96 -4.97 121.20 115.71 1k6c s ILE 47 Ca -0.05 -1.96 0.03 0.00 -0.26 0.00 0.00 60.65 58.40 1k6c s ILE 47 Cb -0.10 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.69 1k6c s ILE 47 CO 0.01 -0.36 -0.08 -0.83 0.24 0.00 0.00 174.94 173.92 1k6c s GLY 48 N -2.76 0.92 0.00 6.27 0.00 -1.26 -0.99 107.32 109.49 1k6c s GLY 48 Ca 0.17 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.47 1k6c s GLY 48 CO 0.07 -1.52 0.00 0.61 0.00 0.00 0.00 173.10 172.25 1k6c n GLY 49 N -0.12 2.97 0.04 0.20 0.00 -0.43 -4.97 105.19 102.89 1k6c n GLY 49 Ca -0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 1k6c n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k6c h ILE 50 N 0.00 0.00 -0.01 -0.61 1.08 -2.03 -2.29 117.51 113.65 1k6c h ILE 50 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1k6c h ILE 50 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 1k6c h ILE 50 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1k6c n GLY 51 N -1.03 0.47 0.00 5.37 0.00 -1.26 -5.00 105.19 103.75 1k6c n GLY 51 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1k6c n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6c n GLY 52 N 0.23 -0.36 3.88 -0.02 0.00 -0.86 -5.05 105.19 103.00 1k6c n GLY 52 Ca 0.00 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.51 1k6c n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k6c s PHE 53 N 0.00 3.46 0.14 1.61 0.40 -1.26 -1.31 117.98 121.00 1k6c s PHE 53 Ca 0.00 0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.63 1k6c s PHE 53 Cb 0.00 -1.76 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 1k6c s PHE 53 CO 0.00 0.60 -0.08 0.96 0.70 0.00 0.00 175.22 177.39 1k6c s ILE 54 N -1.38 1.00 -0.20 0.64 -4.36 -0.17 -4.99 121.20 111.74 1k6c s ILE 54 Ca 0.30 -2.02 -0.12 0.00 -0.26 0.00 0.00 60.65 58.54 1k6c s ILE 54 Cb -0.13 -1.82 -0.05 0.00 1.25 0.00 0.00 42.46 41.72 1k6c s ILE 54 CO 0.22 -0.76 0.24 -0.54 0.24 0.00 0.00 174.94 174.33 1k6c s LYS 55 N -3.78 4.17 0.28 0.37 1.02 -1.26 -2.27 119.74 118.27 1k6c s LYS 55 Ca 0.16 -0.06 0.05 0.00 0.02 0.00 0.00 55.97 56.14 1k6c s LYS 55 Cb 0.04 -3.48 -0.06 0.00 -0.52 0.00 0.00 37.83 33.81 1k6c s LYS 55 CO -0.01 0.15 -0.00 0.14 -0.92 0.00 0.00 175.35 174.71 1k6c s VAL 56 N 0.78 1.31 -0.14 3.17 -7.23 0.91 -4.43 120.40 114.76 1k6c s VAL 56 Ca 0.13 -2.06 -0.06 0.00 -1.81 0.00 0.00 61.98 58.18 1k6c s VAL 56 Cb -0.13 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1k6c s VAL 56 CO 0.03 -0.22 0.06 -0.13 -0.31 0.00 0.00 175.10 174.53 1k6c s ARG 57 N -3.82 3.61 -0.24 4.82 0.52 0.13 -0.92 118.95 123.05 1k6c s ARG 57 Ca 0.31 -0.32 -0.07 0.00 -0.52 0.00 0.00 55.73 55.13 1k6c s ARG 57 Cb 0.06 -3.09 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 1k6c s ARG 57 CO 0.12 0.48 0.06 -1.14 0.02 0.00 0.00 175.30 174.84 1k6c s GLN 58 N -0.23 3.64 -0.14 3.54 0.74 -0.20 -1.22 119.66 125.78 1k6c s GLN 58 Ca 0.08 -0.49 -0.02 0.00 0.05 0.00 0.00 55.36 54.97 1k6c s GLN 58 Cb -0.12 -3.28 -0.02 0.00 1.10 0.00 0.00 33.01 30.69 1k6c s GLN 58 CO 0.01 -0.17 -0.07 0.71 -0.55 0.00 0.00 175.29 175.23 1k6c s TYR 59 N 1.53 2.95 0.22 1.67 1.51 -0.14 -2.41 117.35 122.69 1k6c s TYR 59 Ca 0.06 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.76 1k6c s TYR 59 Cb -0.15 -1.91 -0.03 0.00 -0.11 0.00 0.00 41.96 39.75 1k6c s TYR 59 CO 0.03 -0.08 0.36 -0.51 -1.11 0.00 0.00 175.55 174.23 1k6c s ASP 60 N 0.33 6.33 -1.42 2.29 1.01 -1.26 -0.56 116.67 123.37 1k6c s ASP 60 Ca -0.06 0.13 -0.08 0.00 0.71 0.00 0.00 52.55 53.25 1k6c s ASP 60 Cb -0.15 -1.89 0.01 0.00 1.01 0.00 0.00 42.92 41.90 1k6c s ASP 60 CO 0.04 -0.06 0.28 0.00 0.21 0.00 0.00 175.17 175.64 1k6c n GLN 61 N -1.21 -1.36 -3.50 8.23 1.13 -1.15 -4.90 117.38 114.62 1k6c n GLN 61 Ca -0.08 0.18 -0.37 0.00 -1.94 0.00 0.00 57.00 54.79 1k6c n GLN 61 Cb 0.56 -3.62 -0.07 0.00 0.11 0.00 0.00 30.24 27.23 1k6c n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1k6c s ILE 62 N -4.06 5.28 0.04 5.09 -1.09 -0.06 -4.75 121.20 121.65 1k6c s ILE 62 Ca 0.13 0.62 -0.28 0.00 -2.23 0.00 0.00 60.65 58.88 1k6c s ILE 62 Cb -0.07 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1k6c s ILE 62 CO 0.96 0.38 0.90 -2.84 -1.23 0.00 0.00 174.94 173.12 1k6c s PRO 63 N 0.45 4.58 -0.07 2.79 0.02 -1.26 -2.09 135.00 139.43 1k6c s PRO 63 Ca 0.18 1.30 -0.05 0.00 0.02 0.00 0.00 61.00 62.45 1k6c s PRO 63 Cb -0.13 -3.41 0.02 0.00 0.02 0.00 0.00 34.50 30.99 1k6c s PRO 63 CO 0.05 0.11 0.17 -1.50 -0.33 0.00 0.00 177.00 175.50 1k6c s ILE 64 N 0.47 -0.01 -0.24 2.83 2.07 0.03 -4.57 121.20 121.77 1k6c s ILE 64 Ca 0.46 0.04 -0.09 0.00 -1.41 0.00 0.00 60.65 59.65 1k6c s ILE 64 Cb -0.21 -0.25 -0.04 0.00 0.13 0.00 0.00 42.46 42.08 1k6c s ILE 64 CO 0.27 0.02 0.13 -0.70 -1.91 0.00 0.00 174.94 172.74 1k6c s GLU 65 N 0.36 3.92 -0.37 3.50 2.12 -0.74 -1.31 118.70 126.18 1k6c s GLU 65 Ca -0.02 -0.34 -0.02 0.00 0.36 0.00 0.00 54.97 54.94 1k6c s GLU 65 Cb -0.04 -3.46 0.09 0.00 0.26 0.00 0.00 34.13 30.99 1k6c s GLU 65 CO -0.02 -0.02 0.14 0.42 -0.54 0.00 0.00 175.26 175.24 1k6c s ILE 66 N 1.24 3.13 -1.50 -3.70 1.01 0.78 -1.18 121.20 120.98 1k6c s ILE 66 Ca 0.06 -1.89 -0.11 0.00 0.00 0.00 0.00 60.65 58.71 1k6c s ILE 66 Cb -0.14 -3.07 0.07 0.00 0.01 0.00 0.00 42.46 39.33 1k6c s ILE 66 CO 0.05 -0.52 0.94 0.00 0.00 0.00 0.00 174.94 175.41 1k6c n GLY 68 N -1.69 2.74 3.75 0.00 0.00 -1.26 -5.05 105.19 103.68 1k6c n GLY 68 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1k6c n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k6c s HIS 69 N -2.39 3.46 0.22 1.61 4.02 -0.50 -5.07 115.29 116.65 1k6c s HIS 69 Ca 0.00 0.44 -0.24 0.00 1.02 0.00 0.00 55.06 56.28 1k6c s HIS 69 Cb 0.00 -2.18 -0.09 0.00 -1.02 0.00 0.00 32.58 29.29 1k6c s HIS 69 CO 0.00 0.35 0.81 0.15 1.02 0.00 0.00 174.74 177.06 1k6c s LYS 70 N 0.16 4.49 0.03 1.40 1.02 -1.26 -0.16 119.74 125.42 1k6c s LYS 70 Ca 0.12 1.12 -0.09 0.00 0.02 0.00 0.00 55.97 57.14 1k6c s LYS 70 Cb -0.12 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1k6c s LYS 70 CO 0.01 0.45 0.18 0.00 -0.92 0.00 0.00 175.35 175.06 1k6c s ALA 71 N -1.38 -0.35 -0.15 5.17 0.00 -0.43 -4.76 121.76 119.86 1k6c s ALA 71 Ca 0.42 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 1k6c s ALA 71 Cb -0.20 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.22 1k6c s ALA 71 CO 0.24 -0.32 0.11 0.42 0.00 0.00 0.00 175.76 176.21 1k6c s ILE 72 N -2.30 -0.14 0.00 0.00 1.01 -1.26 -0.79 121.20 117.72 1k6c s ILE 72 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1k6c s ILE 72 Cb -0.02 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 41.93 1k6c s ILE 72 CO -0.03 -0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.34 1k6c n GLY 73 N 5.29 2.10 3.72 6.18 0.00 -0.89 -4.83 105.19 116.77 1k6c n GLY 73 Ca -0.06 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 1k6c n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k6c s THR 74 N -2.79 4.22 -0.07 2.61 2.01 -1.26 -0.88 115.64 119.47 1k6c s THR 74 Ca 0.00 1.70 0.03 0.00 0.31 0.00 0.00 61.69 63.73 1k6c s THR 74 Cb 0.00 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.43 1k6c s THR 74 CO 0.00 0.19 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.26 1k6c s VAL 75 N 0.57 1.52 -0.10 3.82 1.01 0.27 -4.58 120.40 122.91 1k6c s VAL 75 Ca 0.53 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 1k6c s VAL 75 Cb -0.27 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1k6c s VAL 75 CO 0.31 0.44 0.02 -0.76 0.00 0.00 0.00 175.10 175.11 1k6c s LEU 76 N 0.46 3.70 -0.07 3.92 1.43 -0.29 -0.97 118.68 126.86 1k6c s LEU 76 Ca -0.15 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1k6c s LEU 76 Cb -0.16 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1k6c s LEU 76 CO 0.05 0.36 -0.17 -0.69 0.23 0.00 0.00 176.35 176.14 1k6c s VAL 77 N -0.77 1.46 0.00 -1.59 1.01 -0.36 0.35 120.40 120.51 1k6c s VAL 77 Ca 0.12 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1k6c s VAL 77 Cb -0.12 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1k6c s VAL 77 CO 0.02 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1k6c n GLY 78 N 3.57 0.52 2.66 4.51 0.00 -0.77 -0.69 105.19 114.99 1k6c n GLY 78 Ca -0.21 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 1k6c n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k6c n PRO 79 N 0.00 1.61 -3.27 1.61 -0.04 -1.26 -2.86 135.00 130.79 1k6c n PRO 79 Ca 0.00 -1.21 -0.35 0.00 -0.04 0.00 0.00 63.50 61.90 1k6c n PRO 79 Cb 0.00 -2.32 -0.06 0.00 -0.04 0.00 0.00 33.50 31.09 1k6c n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1k6c s THR 80 N 3.63 4.77 0.39 0.52 -1.32 -1.26 -4.97 115.64 117.38 1k6c s THR 80 Ca 0.31 0.95 0.16 0.00 -1.21 0.00 0.00 61.69 61.90 1k6c s THR 80 Cb 0.08 -3.76 0.15 0.00 -1.51 0.00 0.00 72.50 67.47 1k6c s THR 80 CO -0.03 0.19 1.90 -0.65 -2.21 0.00 0.00 174.62 173.83 1k6c h PRO 81 N 3.38 0.00 -2.75 7.08 0.11 -1.98 -3.45 132.00 134.39 1k6c h PRO 81 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1k6c h PRO 81 Cb 1.19 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.14 1k6c h PRO 81 CO 0.66 0.28 0.07 -0.08 -0.21 0.00 0.00 178.00 178.72 1k6c s THR 82 N -4.27 0.02 0.12 -1.15 -1.32 -1.26 -5.08 115.64 102.70 1k6c s THR 82 Ca -0.03 -0.20 -0.31 0.00 -1.21 0.00 0.00 61.69 59.95 1k6c s THR 82 Cb 0.14 -0.99 -0.08 0.00 -1.51 0.00 0.00 72.50 70.07 1k6c s THR 82 CO 0.69 -0.11 1.33 0.20 -2.21 0.00 0.00 174.62 174.52 1k6c s ASN 83 N -2.04 6.90 -0.04 8.08 0.01 -1.26 -4.74 114.94 121.85 1k6c s ASN 83 Ca -0.05 2.26 0.02 0.00 -0.71 0.00 0.00 52.86 54.39 1k6c s ASN 83 Cb -0.01 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.08 1k6c s ASN 83 CO -0.03 -0.59 -0.07 0.68 -1.51 0.00 0.00 177.10 175.58 1k6c s VAL 84 N 0.92 0.71 -0.35 1.60 -7.23 -0.41 -1.07 120.40 114.57 1k6c s VAL 84 Ca 0.62 -0.27 -0.15 0.00 -1.81 0.00 0.00 61.98 60.37 1k6c s VAL 84 Cb -0.35 -0.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.92 1k6c s VAL 84 CO 0.31 0.24 0.34 -0.63 -0.31 0.00 0.00 175.10 175.05 1k6c s ILE 85 N 0.50 5.19 0.59 -0.62 -1.09 0.20 -1.78 121.20 124.19 1k6c s ILE 85 Ca -0.08 -0.06 -0.01 0.00 -2.23 0.00 0.00 60.65 58.27 1k6c s ILE 85 Cb -0.11 -3.82 0.12 0.00 -1.58 0.00 0.00 42.46 37.07 1k6c s ILE 85 CO 0.01 -0.10 0.81 0.61 -1.23 0.00 0.00 174.94 175.04 1k6c n GLY 86 N 5.00 0.48 0.26 6.18 0.00 -1.19 -1.71 105.19 114.22 1k6c n GLY 86 Ca -0.10 -1.99 0.09 0.00 0.00 0.00 0.00 46.02 44.02 1k6c n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k6c h ARG 87 N 0.00 0.00 -0.80 1.61 3.08 -1.23 -1.42 114.38 115.61 1k6c h ARG 87 Ca -0.27 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.84 1k6c h ARG 87 Cb 0.96 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.96 1k6c h ARG 87 CO 0.28 0.00 0.52 -2.95 -1.07 0.00 0.00 179.97 176.75 1k6c h ASN 88 N 0.00 0.77 0.25 7.04 -1.07 -1.81 -1.88 115.58 118.89 1k6c h ASN 88 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 56.30 56.04 1k6c h ASN 88 Cb 0.01 -0.16 -0.06 0.00 -2.07 0.00 0.00 38.32 36.04 1k6c h ASN 88 CO -0.00 0.50 -2.03 0.18 0.07 0.00 0.00 177.43 176.15 1k6c n LEU 89 N -4.48 0.89 -0.16 6.14 4.77 -0.88 -4.05 117.00 119.23 1k6c n LEU 89 Ca 0.12 0.21 -0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1k6c n LEU 89 Cb 0.20 0.08 0.25 0.00 -2.33 0.00 0.00 43.42 41.63 1k6c n LEU 89 CO 0.33 0.51 1.15 -0.07 -1.33 0.00 0.00 177.39 177.99 1k6c h LEU 90 N 0.01 0.78 -0.98 2.23 3.38 -1.13 -1.74 115.31 117.86 1k6c h LEU 90 Ca -0.41 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 1k6c h LEU 90 Cb 2.09 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 1k6c h LEU 90 CO 0.05 0.63 -0.03 0.71 0.09 0.00 0.00 178.44 179.89 1k6c h THR 91 N 0.89 1.24 0.00 0.22 1.35 -1.51 -1.49 112.91 113.61 1k6c h THR 91 Ca 0.23 -0.98 -0.06 0.00 -0.55 0.00 0.00 66.41 65.05 1k6c h THR 91 Cb 0.01 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 67.36 1k6c h THR 91 CO -0.04 0.34 -0.26 1.56 -0.25 0.00 0.00 175.52 176.87 1k6c h GLN 92 N 0.66 0.00 -0.63 4.72 4.20 -1.46 -2.32 115.11 120.28 1k6c h GLN 92 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1k6c h GLN 92 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1k6c h GLN 92 CO 0.02 0.26 0.00 0.44 -0.67 0.00 0.00 178.83 178.88 1k6c n ILE 93 N -4.10 0.91 -2.53 2.54 -5.35 -1.03 -4.94 119.36 104.88 1k6c n ILE 93 Ca -0.02 -0.85 -0.11 0.00 -0.27 0.00 0.00 62.75 61.50 1k6c n ILE 93 Cb 0.32 0.38 0.01 0.00 -1.74 0.00 0.00 39.64 38.61 1k6c n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k6c n GLY 94 N 1.44 0.05 3.73 3.28 0.00 -0.87 -5.01 105.19 107.81 1k6c n GLY 94 Ca 0.21 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1k6c n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k6c s THR 96 N -0.32 0.36 -0.14 0.00 -4.23 -1.26 -4.73 115.64 105.32 1k6c s THR 96 Ca 0.45 -1.86 -0.08 0.00 -1.18 0.00 0.00 61.69 59.03 1k6c s THR 96 Cb -0.24 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 1k6c s THR 96 CO 0.30 -0.92 0.14 -0.76 -0.54 0.00 0.00 174.62 172.84 1k6c s LEU 97 N -2.97 4.34 -0.01 4.79 1.43 -1.26 -5.09 118.68 119.91 1k6c s LEU 97 Ca 0.10 0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 1k6c s LEU 97 Cb 0.07 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1k6c s LEU 97 CO -0.07 0.34 -0.04 0.20 0.23 0.00 0.00 176.35 177.01 1k6c s ASN 98 N -0.62 0.54 0.00 2.29 0.01 -1.26 -5.29 114.94 110.61 1k6c s ASN 98 Ca 0.13 -0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.21 1k6c s ASN 98 Cb -0.12 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.42 1k6c s ASN 98 CO 0.02 0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.86