#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 2.23 -0.17 0.54 0.74 -1.26 -5.10 119.66 116.65 1k6c s GLN 2 Ca 0.00 -0.57 -0.01 0.00 0.05 0.00 0.00 55.36 54.83 1k6c s GLN 2 Cb 0.00 -1.87 -0.01 0.00 1.10 0.00 0.00 33.01 32.24 1k6c s GLN 2 CO 0.00 -0.03 -0.12 0.42 -0.55 0.00 0.00 175.29 175.01 1k6c s ILE 3 N 0.90 2.92 0.61 -2.34 1.01 -1.26 -5.12 121.20 117.92 1k6c s ILE 3 Ca -0.09 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.83 1k6c s ILE 3 Cb -0.15 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.07 1k6c s ILE 3 CO -0.00 0.50 0.92 0.42 0.00 0.00 0.00 174.94 176.77 1k6c s THR 4 N 0.88 3.48 -0.20 2.92 -4.23 -1.26 -5.02 115.64 112.21 1k6c s THR 4 Ca -0.03 -0.02 0.16 0.00 -1.18 0.00 0.00 61.69 60.61 1k6c s THR 4 Cb -0.15 -3.40 0.57 0.00 1.34 0.00 0.00 72.50 70.86 1k6c s THR 4 CO -0.00 -0.41 1.47 0.18 -0.54 0.00 0.00 174.62 175.32 1k6c n LEU 5 N -2.63 4.17 -0.02 4.79 4.77 -1.26 -4.53 117.00 122.29 1k6c n LEU 5 Ca 0.05 -3.05 0.01 0.00 -0.03 0.00 0.00 56.01 52.98 1k6c n LEU 5 Cb 0.58 -0.57 0.32 0.00 -2.33 0.00 0.00 43.42 41.42 1k6c n LEU 5 CO 0.53 0.70 1.02 -0.50 -1.33 0.00 0.00 177.39 177.81 1k6c h TRP 6 N 2.03 0.59 -2.37 -1.77 4.06 -2.06 -3.43 115.95 112.99 1k6c h TRP 6 Ca 0.02 -0.03 -0.55 0.00 2.06 0.00 0.00 58.89 60.38 1k6c h TRP 6 Cb 1.54 -0.18 -0.14 0.00 -1.00 0.00 0.00 29.16 29.39 1k6c h TRP 6 CO 0.61 0.49 -0.71 0.15 -3.56 0.00 0.00 178.44 175.42 1k6c s LYS 7 N -5.19 1.62 0.25 0.49 -0.14 -1.26 -5.09 119.74 110.41 1k6c s LYS 7 Ca -0.08 -1.79 -0.31 0.00 -1.36 0.00 0.00 55.97 52.43 1k6c s LYS 7 Cb 0.16 -1.47 -0.13 0.00 -1.68 0.00 0.00 37.83 34.71 1k6c s LYS 7 CO 0.76 0.17 1.42 0.54 -0.76 0.00 0.00 175.35 177.48 1k6c n ARG 8 N -0.62 2.09 -2.35 1.68 1.74 -1.26 -4.83 116.66 113.12 1k6c n ARG 8 Ca -0.06 0.74 -0.40 0.00 -0.77 0.00 0.00 57.85 57.37 1k6c n ARG 8 Cb 0.62 -2.41 -0.01 0.00 -1.02 0.00 0.00 32.46 29.64 1k6c n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1k6c n PRO 9 N 1.95 2.81 -3.31 5.56 -0.04 -1.26 -4.96 135.00 135.75 1k6c n PRO 9 Ca 0.11 -3.01 -0.38 0.00 -0.04 0.00 0.00 63.50 60.18 1k6c n PRO 9 Cb 0.32 -3.50 -0.06 0.00 -0.04 0.00 0.00 33.50 30.22 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 5.18 4.50 0.06 1.53 1.43 -1.26 -1.35 118.68 128.77 1k6c s LEU 10 Ca 0.56 1.21 -0.01 0.00 -1.03 0.00 0.00 54.13 54.86 1k6c s LEU 10 Cb 0.05 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 1k6c s LEU 10 CO 0.07 0.26 -0.03 0.68 0.23 0.00 0.00 176.35 177.56 1k6c s VAL 11 N -1.15 0.29 -0.04 -1.59 -7.23 0.69 -4.95 120.40 106.43 1k6c s VAL 11 Ca 0.29 -1.84 -0.19 0.00 -1.81 0.00 0.00 61.98 58.43 1k6c s VAL 11 Cb -0.19 -1.57 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 1k6c s VAL 11 CO 0.18 -0.95 0.55 -0.89 -0.31 0.00 0.00 175.10 173.68 1k6c s THR 12 N -3.88 5.01 0.15 5.32 2.01 -1.26 -0.20 115.64 122.79 1k6c s THR 12 Ca 0.09 1.13 0.06 0.00 0.31 0.00 0.00 61.69 63.28 1k6c s THR 12 Cb 0.08 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1k6c s THR 12 CO -0.09 0.40 -0.14 0.27 -0.69 0.00 0.00 174.62 174.38 1k6c s ILE 13 N -0.01 1.45 -0.12 1.82 -4.36 0.23 -1.09 121.20 119.11 1k6c s ILE 13 Ca 0.29 -1.90 0.01 0.00 -0.26 0.00 0.00 60.65 58.79 1k6c s ILE 13 Cb -0.17 -1.73 0.02 0.00 1.25 0.00 0.00 42.46 41.83 1k6c s ILE 13 CO 0.15 -0.49 -0.15 -0.60 0.24 0.00 0.00 174.94 174.08 1k6c s ARG 14 N -3.06 2.28 -0.06 0.37 3.52 0.75 0.04 118.95 122.80 1k6c s ARG 14 Ca 0.14 -0.57 -0.06 0.00 -0.13 0.00 0.00 55.73 55.11 1k6c s ARG 14 Cb -0.03 -1.99 0.02 0.00 -1.56 0.00 0.00 34.95 31.38 1k6c s ARG 14 CO 0.04 -0.13 0.17 -1.50 -0.81 0.00 0.00 175.30 173.08 1k6c s ILE 15 N 1.17 0.00 -1.49 4.11 2.07 0.55 -0.96 121.20 126.64 1k6c s ILE 15 Ca -0.02 -0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.19 1k6c s ILE 15 Cb -0.14 -0.25 0.01 0.00 0.13 0.00 0.00 42.46 42.21 1k6c s ILE 15 CO -0.05 -0.00 0.26 0.61 -1.91 0.00 0.00 174.94 173.85 1k6c n GLY 16 N 2.98 -0.51 3.26 1.50 0.00 -1.26 -0.17 105.19 110.99 1k6c n GLY 16 Ca -0.13 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.16 2.03 3.87 -0.02 0.00 -1.26 -4.99 105.19 103.66 1k6c n GLY 17 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1k6c n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k6c s GLN 18 N -0.05 3.37 -0.15 1.61 -0.21 0.76 -5.10 119.66 119.89 1k6c s GLN 18 Ca 0.00 -0.29 -0.13 0.00 0.02 0.00 0.00 55.36 54.96 1k6c s GLN 18 Cb 0.00 -3.08 -0.05 0.00 1.00 0.00 0.00 33.01 30.89 1k6c s GLN 18 CO 0.00 0.70 0.27 -0.51 -2.12 0.00 0.00 175.29 173.63 1k6c s LEU 19 N -1.61 4.27 0.16 2.90 1.43 -1.26 -0.33 118.68 124.24 1k6c s LEU 19 Ca 0.23 0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 53.80 1k6c s LEU 19 Cb -0.12 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 1k6c s LEU 19 CO 0.13 0.16 0.16 -0.54 0.23 0.00 0.00 176.35 176.48 1k6c s LYS 20 N 0.18 1.07 -0.20 1.70 1.02 0.11 -4.96 119.74 118.65 1k6c s LYS 20 Ca 0.16 -1.38 -0.06 0.00 0.02 0.00 0.00 55.97 54.72 1k6c s LYS 20 Cb -0.13 0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 37.45 1k6c s LYS 20 CO 0.04 -0.35 0.02 -1.21 -0.92 0.00 0.00 175.35 172.93 1k6c s GLU 21 N -4.04 3.68 0.20 1.68 2.02 -1.26 0.75 118.70 121.73 1k6c s GLU 21 Ca 0.24 -0.49 0.07 0.00 0.02 0.00 0.00 54.97 54.81 1k6c s GLU 21 Cb 0.06 -3.14 -0.05 0.00 0.10 0.00 0.00 34.13 31.10 1k6c s GLU 21 CO 0.03 0.03 -0.12 0.00 0.02 0.00 0.00 175.26 175.21 1k6c s ALA 22 N 0.99 1.91 -0.09 5.21 0.00 0.72 -4.52 121.76 125.97 1k6c s ALA 22 Ca 0.02 -1.65 -0.15 0.00 0.00 0.00 0.00 51.96 50.19 1k6c s ALA 22 Cb -0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 1k6c s ALA 22 CO 0.02 0.01 0.38 -1.17 0.00 0.00 0.00 175.76 175.00 1k6c s LEU 23 N -3.29 4.34 -0.53 0.00 2.96 -0.30 -0.22 118.68 121.63 1k6c s LEU 23 Ca 0.22 0.74 -0.24 0.00 -0.22 0.00 0.00 54.13 54.64 1k6c s LEU 23 Cb 0.01 -2.52 0.04 0.00 0.50 0.00 0.00 46.19 44.21 1k6c s LEU 23 CO 0.06 0.16 0.90 -0.76 -1.32 0.00 0.00 176.35 175.39 1k6c s LEU 24 N -0.06 4.19 -0.43 -0.68 1.43 -0.46 -0.90 118.68 121.78 1k6c s LEU 24 Ca 0.22 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1k6c s LEU 24 Cb -0.15 -2.82 0.12 0.00 0.03 0.00 0.00 46.19 43.37 1k6c s LEU 24 CO 0.09 -1.16 0.21 -0.62 0.23 0.00 0.00 176.35 175.10 1k6c s ASP 25 N 2.74 5.15 0.42 2.29 -1.08 -0.58 -4.82 116.67 120.80 1k6c s ASP 25 Ca 0.29 -2.18 0.29 0.00 -0.52 0.00 0.00 52.55 50.43 1k6c s ASP 25 Cb -0.13 -1.80 1.42 0.00 -1.46 0.00 0.00 42.92 40.96 1k6c s ASP 25 CO 0.19 -0.49 1.88 0.71 0.52 0.00 0.00 175.17 177.98 1k6c h THR 26 N 6.24 0.00 0.00 1.71 1.35 -1.94 -2.31 112.91 117.96 1k6c h THR 26 Ca -0.10 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1k6c h THR 26 Cb 1.03 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1k6c h THR 26 CO 0.67 0.00 -0.38 0.61 -0.25 0.00 0.00 175.52 176.17 1k6c n GLY 27 N -0.69 -1.33 3.69 5.82 0.00 -1.26 -4.79 105.19 106.63 1k6c n GLY 27 Ca -0.01 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.02 3.56 0.20 4.61 0.00 -0.87 -4.96 121.76 121.29 1k6c s ALA 28 Ca 0.11 -0.50 0.07 0.00 0.00 0.00 0.00 51.96 51.64 1k6c s ALA 28 Cb 0.17 -2.53 0.11 0.00 0.00 0.00 0.00 23.12 20.87 1k6c s ALA 28 CO 0.66 -0.14 1.46 -0.44 0.00 0.00 0.00 175.76 177.30 1k6c h ASP 29 N 7.11 0.09 -1.27 0.00 3.32 -1.88 -0.06 116.42 123.73 1k6c h ASP 29 Ca -0.38 -0.07 -0.63 0.00 0.02 0.00 0.00 57.03 55.97 1k6c h ASP 29 Cb 1.16 -0.03 -0.12 0.00 0.22 0.00 0.00 39.33 40.57 1k6c h ASP 29 CO 0.73 0.83 -0.55 -1.81 -1.72 0.00 0.00 179.24 176.73 1k6c s ASP 30 N -6.84 4.08 -0.20 6.45 1.01 -1.26 -3.27 116.67 116.64 1k6c s ASP 30 Ca -0.01 -1.38 -0.06 0.00 0.71 0.00 0.00 52.55 51.80 1k6c s ASP 30 Cb 0.11 -0.14 -0.03 0.00 1.01 0.00 0.00 42.92 43.87 1k6c s ASP 30 CO 0.80 -0.60 0.04 -0.89 0.21 0.00 0.00 175.17 174.72 1k6c s THR 31 N -2.73 4.35 -0.12 -1.27 2.01 -1.26 -3.13 115.64 113.48 1k6c s THR 31 Ca 0.29 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1k6c s THR 31 Cb 0.06 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.61 1k6c s THR 31 CO 0.15 0.42 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.67 1k6c s VAL 32 N 0.87 1.51 0.24 3.82 1.01 -0.20 -0.87 120.40 126.79 1k6c s VAL 32 Ca 0.02 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.47 1k6c s VAL 32 Cb -0.14 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1k6c s VAL 32 CO 0.02 0.45 -0.02 -0.76 0.00 0.00 0.00 175.10 174.78 1k6c s LEU 33 N 1.20 3.16 0.77 3.92 1.43 0.01 0.15 118.68 129.32 1k6c s LEU 33 Ca -0.02 -0.61 -0.14 0.00 -1.03 0.00 0.00 54.13 52.33 1k6c s LEU 33 Cb -0.14 -1.72 0.06 0.00 0.03 0.00 0.00 46.19 44.42 1k6c s LEU 33 CO -0.05 0.03 1.19 -0.70 0.23 0.00 0.00 176.35 177.04 1k6c s GLU 34 N -3.45 1.94 -0.00 1.70 2.56 -1.26 -2.39 118.70 117.80 1k6c s GLU 34 Ca 0.30 1.68 -0.38 0.00 0.00 0.00 0.00 54.97 56.57 1k6c s GLU 34 Cb -0.07 -1.82 -0.17 0.00 2.00 0.00 0.00 34.13 34.07 1k6c s GLU 34 CO 0.19 -1.97 1.40 0.39 -0.56 0.00 0.00 175.26 174.70 1k6c n GLU 35 N -3.05 1.02 -3.52 4.30 -0.58 -1.13 -4.64 120.64 113.04 1k6c n GLU 35 Ca 0.13 0.37 -0.17 0.00 -0.42 0.00 0.00 57.16 57.07 1k6c n GLU 35 Cb 0.51 -2.00 -0.06 0.00 -0.57 0.00 0.00 31.44 29.32 1k6c n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k6c s MET 36 N 1.06 1.07 -1.28 3.49 0.23 -1.26 -5.05 119.30 117.56 1k6c s MET 36 Ca 0.88 0.16 -0.10 0.00 -1.03 0.00 0.00 55.69 55.60 1k6c s MET 36 Cb -1.02 0.50 0.16 0.00 -1.53 0.00 0.00 34.83 32.95 1k6c s MET 36 CO 0.52 -0.35 1.85 0.09 -2.03 0.00 0.00 175.02 175.10 1k6c n ASN 37 N 0.78 5.05 -4.77 -1.18 3.02 -1.26 -5.00 115.26 111.91 1k6c n ASN 37 Ca -0.19 -3.09 -0.39 0.00 -0.03 0.00 0.00 54.58 50.88 1k6c n ASN 37 Cb 0.58 -1.49 -0.04 0.00 -0.61 0.00 0.00 39.78 38.22 1k6c n ASN 37 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k6c s LEU 38 N 0.12 4.36 0.60 3.41 1.02 -1.26 -5.03 118.68 121.90 1k6c s LEU 38 Ca 0.40 2.24 -0.09 0.00 0.02 0.00 0.00 54.13 56.70 1k6c s LEU 38 Cb 0.09 -3.87 -0.02 0.00 0.02 0.00 0.00 46.19 42.41 1k6c s LEU 38 CO 0.00 -0.37 0.96 -2.16 0.02 0.00 0.00 176.35 174.80 1k6c s PRO 39 N -1.93 3.30 0.00 1.29 0.04 -1.26 -4.98 135.00 131.46 1k6c s PRO 39 Ca 0.51 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1k6c s PRO 39 Cb -0.29 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1k6c s PRO 39 CO 0.37 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1k6c n GLY 40 N -2.65 2.30 3.85 0.56 0.00 -1.26 -5.03 105.19 102.96 1k6c n GLY 40 Ca 0.05 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 1k6c n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1k6c s ARG 41 N -2.34 3.96 0.13 1.61 1.70 -1.26 -5.08 118.95 117.68 1k6c s ARG 41 Ca 0.00 0.75 -0.05 0.00 -0.47 0.00 0.00 55.73 55.96 1k6c s ARG 41 Cb 0.00 -2.31 -0.02 0.00 -0.57 0.00 0.00 34.95 32.05 1k6c s ARG 41 CO 0.00 -0.03 0.16 1.67 -1.08 0.00 0.00 175.30 176.02 1k6c s TRP 42 N -2.28 0.56 -0.04 5.89 1.48 -1.26 -4.67 118.94 118.62 1k6c s TRP 42 Ca 0.56 -0.95 0.05 0.00 -1.06 0.00 0.00 56.10 54.71 1k6c s TRP 42 Cb -0.10 -0.24 -0.02 0.00 -1.16 0.00 0.00 33.47 31.94 1k6c s TRP 42 CO 0.24 -0.60 -0.19 0.15 -4.06 0.00 0.00 176.95 172.49 1k6c s LYS 43 N -3.98 2.36 0.44 3.25 1.02 -0.66 -4.90 119.74 117.27 1k6c s LYS 43 Ca 0.18 -0.79 -0.24 0.00 0.02 0.00 0.00 55.97 55.13 1k6c s LYS 43 Cb 0.05 -2.24 -0.08 0.00 -0.52 0.00 0.00 37.83 35.05 1k6c s LYS 43 CO -0.01 0.58 1.18 -2.14 -0.92 0.00 0.00 175.35 174.04 1k6c s PRO 44 N -0.65 3.85 0.04 -1.68 0.02 -1.26 -0.37 135.00 134.95 1k6c s PRO 44 Ca 0.10 1.82 -0.25 0.00 0.02 0.00 0.00 61.00 62.70 1k6c s PRO 44 Cb -0.11 -2.50 0.06 0.00 0.02 0.00 0.00 34.50 31.97 1k6c s PRO 44 CO 0.00 -0.49 0.58 0.21 -0.33 0.00 0.00 177.00 176.97 1k6c s LYS 45 N -2.56 1.08 -0.15 5.54 2.20 0.13 -4.86 119.74 121.12 1k6c s LYS 45 Ca 0.61 -0.14 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 1k6c s LYS 45 Cb -0.30 0.50 -0.00 0.00 -1.51 0.00 0.00 37.83 36.51 1k6c s LYS 45 CO 0.37 -0.39 -0.15 -1.64 -0.36 0.00 0.00 175.35 173.18 1k6c s MET 46 N -2.32 3.26 0.00 4.03 -1.94 -1.26 0.13 119.30 121.20 1k6c s MET 46 Ca -0.06 -0.73 0.06 0.00 -1.71 0.00 0.00 55.69 53.25 1k6c s MET 46 Cb -0.01 -2.63 -0.02 0.00 2.01 0.00 0.00 34.83 34.18 1k6c s MET 46 CO -0.00 0.06 -0.19 -1.50 -0.01 0.00 0.00 175.02 173.37 1k6c s ILE 47 N 0.72 1.52 -0.07 2.53 1.10 -0.95 -4.96 121.20 121.10 1k6c s ILE 47 Ca -0.07 -0.91 0.00 0.00 -0.51 0.00 0.00 60.65 59.17 1k6c s ILE 47 Cb -0.15 -1.28 -0.03 0.00 0.15 0.00 0.00 42.46 41.14 1k6c s ILE 47 CO 0.01 0.36 -0.05 -0.83 -2.11 0.00 0.00 174.94 172.32 1k6c s GLY 48 N -0.64 1.75 0.00 1.50 0.00 -1.26 -1.26 107.32 107.40 1k6c s GLY 48 Ca 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1k6c s GLY 48 CO -0.00 -0.66 0.00 0.61 0.00 0.00 0.00 173.10 173.05 1k6c n GLY 49 N 2.12 5.97 3.70 0.20 0.00 0.70 -4.98 105.19 112.90 1k6c n GLY 49 Ca -0.18 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1k6c n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k6c s ILE 50 N -0.28 3.78 0.00 -0.61 -1.09 -1.26 -2.82 121.20 118.92 1k6c s ILE 50 Ca 0.00 1.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.63 1k6c s ILE 50 Cb 0.00 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1k6c s ILE 50 CO 0.00 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.36 1k6c n GLY 51 N 3.48 2.60 0.00 6.18 0.00 -1.26 -5.00 105.19 111.19 1k6c n GLY 51 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -0.36 3.76 -0.02 0.00 -1.13 -5.13 105.19 102.30 1k6c n GLY 52 Ca 0.00 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.91 3.09 0.08 1.61 0.40 -1.26 -0.22 117.98 118.77 1k6c s PHE 53 Ca 0.00 -0.01 0.03 0.00 -0.60 0.00 0.00 56.93 56.35 1k6c s PHE 53 Cb 0.00 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 1k6c s PHE 53 CO 0.00 0.51 -0.10 0.96 0.70 0.00 0.00 175.22 177.29 1k6c s ILE 54 N -1.58 0.87 -0.07 0.64 -4.36 -0.39 -4.97 121.20 111.34 1k6c s ILE 54 Ca 0.29 -1.47 -0.20 0.00 -0.26 0.00 0.00 60.65 59.02 1k6c s ILE 54 Cb -0.11 -1.15 -0.05 0.00 1.25 0.00 0.00 42.46 42.41 1k6c s ILE 54 CO 0.21 -0.47 0.55 -0.75 0.24 0.00 0.00 174.94 174.72 1k6c s LYS 55 N -2.38 4.32 0.16 0.37 2.20 -1.26 -2.23 119.74 120.92 1k6c s LYS 55 Ca 0.01 0.61 0.02 0.00 -0.36 0.00 0.00 55.97 56.25 1k6c s LYS 55 Cb -0.05 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.83 1k6c s LYS 55 CO 0.00 0.24 -0.03 0.14 -0.36 0.00 0.00 175.35 175.34 1k6c s VAL 56 N 0.30 0.81 -0.22 4.02 -7.23 0.12 -4.48 120.40 113.73 1k6c s VAL 56 Ca 0.29 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.41 1k6c s VAL 56 Cb -0.17 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 1k6c s VAL 56 CO 0.14 -0.59 0.03 -0.13 -0.31 0.00 0.00 175.10 174.24 1k6c s ARG 57 N -3.86 3.66 -0.26 4.82 0.52 0.10 -0.70 118.95 123.24 1k6c s ARG 57 Ca 0.20 -0.49 -0.16 0.00 -0.52 0.00 0.00 55.73 54.76 1k6c s ARG 57 Cb 0.05 -3.19 -0.03 0.00 0.52 0.00 0.00 34.95 32.30 1k6c s ARG 57 CO 0.02 -0.05 0.44 -1.14 0.02 0.00 0.00 175.30 174.59 1k6c s GLN 58 N 1.21 4.06 -0.12 3.54 0.74 0.50 0.00 119.66 129.59 1k6c s GLN 58 Ca 0.04 0.19 -0.00 0.00 0.05 0.00 0.00 55.36 55.63 1k6c s GLN 58 Cb -0.14 -3.64 -0.02 0.00 1.10 0.00 0.00 33.01 30.30 1k6c s GLN 58 CO 0.02 -0.29 -0.10 0.71 -0.55 0.00 0.00 175.29 175.08 1k6c s TYR 59 N 2.10 2.86 0.26 1.67 1.51 -0.28 -1.66 117.35 123.82 1k6c s TYR 59 Ca 0.18 -0.42 0.06 0.00 -1.01 0.00 0.00 57.07 55.88 1k6c s TYR 59 Cb -0.16 -1.83 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 1k6c s TYR 59 CO 0.09 -0.05 0.32 -0.51 -1.11 0.00 0.00 175.55 174.29 1k6c s ASP 60 N 0.07 5.99 -1.30 2.29 1.01 -1.26 -0.98 116.67 122.49 1k6c s ASP 60 Ca -0.04 -0.08 -0.11 0.00 0.71 0.00 0.00 52.55 53.03 1k6c s ASP 60 Cb -0.14 -1.61 0.00 0.00 1.01 0.00 0.00 42.92 42.18 1k6c s ASP 60 CO 0.04 -0.12 0.56 0.00 0.21 0.00 0.00 175.17 175.85 1k6c n GLN 61 N -1.37 -2.13 -3.63 8.23 1.13 -1.16 -4.90 117.38 113.54 1k6c n GLN 61 Ca -0.07 0.37 -0.38 0.00 -1.94 0.00 0.00 57.00 54.98 1k6c n GLN 61 Cb 0.58 -4.12 -0.11 0.00 0.11 0.00 0.00 30.24 26.69 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 -3.76 5.02 0.13 5.09 -1.09 -0.22 -4.80 121.20 121.58 1k6c s ILE 62 Ca 0.22 0.04 -0.30 0.00 -2.23 0.00 0.00 60.65 58.38 1k6c s ILE 62 Cb -0.09 -3.40 -0.07 0.00 -1.58 0.00 0.00 42.46 37.32 1k6c s ILE 62 CO 0.89 0.25 1.23 -2.16 -1.23 0.00 0.00 174.94 173.93 1k6c s PRO 63 N 1.72 4.44 -0.00 2.79 0.04 -1.26 -2.33 135.00 140.39 1k6c s PRO 63 Ca 0.07 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1k6c s PRO 63 Cb -0.16 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1k6c s PRO 63 CO 0.09 -0.20 0.00 -1.50 0.04 0.00 0.00 177.00 175.43 1k6c s ILE 64 N 0.49 0.01 -0.22 0.56 2.07 0.90 -4.48 121.20 120.52 1k6c s ILE 64 Ca 0.57 0.01 -0.06 0.00 -1.41 0.00 0.00 60.65 59.76 1k6c s ILE 64 Cb -0.32 -0.02 -0.02 0.00 0.13 0.00 0.00 42.46 42.22 1k6c s ILE 64 CO 0.33 0.01 0.01 -0.70 -1.91 0.00 0.00 174.94 172.68 1k6c s GLU 65 N 0.05 3.60 -0.39 3.50 2.12 -0.13 -1.23 118.70 126.22 1k6c s GLU 65 Ca -0.00 -0.52 -0.05 0.00 0.36 0.00 0.00 54.97 54.75 1k6c s GLU 65 Cb -0.01 -3.14 0.08 0.00 0.26 0.00 0.00 34.13 31.33 1k6c s GLU 65 CO -0.00 -0.06 0.18 0.42 -0.54 0.00 0.00 175.26 175.26 1k6c s ILE 66 N 1.21 3.63 -1.30 -3.70 1.01 -0.03 -0.18 121.20 121.85 1k6c s ILE 66 Ca 0.03 -1.62 -0.03 0.00 0.00 0.00 0.00 60.65 59.04 1k6c s ILE 66 Cb -0.15 -3.28 -0.00 0.00 0.01 0.00 0.00 42.46 39.04 1k6c s ILE 66 CO 0.02 -0.48 0.66 0.00 0.00 0.00 0.00 174.94 175.14 1k6c n GLY 68 N -1.65 1.02 3.04 0.00 0.00 -1.26 -5.01 105.19 101.32 1k6c n GLY 68 Ca -0.27 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.27 2.36 0.37 1.61 4.02 -0.65 -5.12 115.29 115.60 1k6c s HIS 69 Ca 0.00 -1.38 -0.26 0.00 1.02 0.00 0.00 55.06 54.44 1k6c s HIS 69 Cb 0.00 -1.68 -0.09 0.00 -1.02 0.00 0.00 32.58 29.79 1k6c s HIS 69 CO 0.00 -0.71 1.16 0.15 1.02 0.00 0.00 174.74 176.36 1k6c s LYS 70 N 1.43 4.22 0.05 1.40 1.02 -1.26 -0.85 119.74 125.74 1k6c s LYS 70 Ca 0.04 1.85 -0.27 0.00 0.02 0.00 0.00 55.97 57.61 1k6c s LYS 70 Cb -0.13 -2.81 0.07 0.00 -0.52 0.00 0.00 37.83 34.43 1k6c s LYS 70 CO -0.11 -0.18 0.63 0.00 -0.92 0.00 0.00 175.35 174.77 1k6c s ALA 71 N -1.35 -1.66 -0.07 5.17 0.00 -0.37 -4.79 121.76 118.70 1k6c s ALA 71 Ca 0.54 0.90 -0.03 0.00 0.00 0.00 0.00 51.96 53.37 1k6c s ALA 71 Cb -0.31 0.42 0.04 0.00 0.00 0.00 0.00 23.12 23.26 1k6c s ALA 71 CO 0.40 -0.55 0.16 -1.50 0.00 0.00 0.00 175.76 174.26 1k6c s ILE 72 N -2.40 -0.05 0.00 0.00 2.07 -1.26 -0.07 121.20 119.48 1k6c s ILE 72 Ca -0.05 0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.37 1k6c s ILE 72 Cb -0.00 -0.26 0.00 0.00 0.13 0.00 0.00 42.46 42.33 1k6c s ILE 72 CO -0.01 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.71 1k6c n GLY 73 N 4.24 1.20 3.75 1.50 0.00 -0.99 -4.85 105.19 110.04 1k6c n GLY 73 Ca -0.26 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.29 4.13 -0.03 2.61 2.01 -1.26 -1.05 115.64 119.76 1k6c s THR 74 Ca 0.00 2.07 0.01 0.00 0.31 0.00 0.00 61.69 64.08 1k6c s THR 74 Cb 0.00 -4.32 0.02 0.00 0.01 0.00 0.00 72.50 68.21 1k6c s THR 74 CO 0.00 0.46 -0.04 0.68 -0.69 0.00 0.00 174.62 175.04 1k6c s VAL 75 N -0.96 0.43 -0.12 3.82 -7.23 -0.15 -4.57 120.40 111.62 1k6c s VAL 75 Ca 0.42 -0.09 -0.10 0.00 -1.81 0.00 0.00 61.98 60.39 1k6c s VAL 75 Cb -0.26 -0.45 -0.05 0.00 0.56 0.00 0.00 36.38 36.19 1k6c s VAL 75 CO 0.32 0.18 0.23 -0.76 -0.31 0.00 0.00 175.10 174.76 1k6c s LEU 76 N 0.72 4.35 -0.13 1.32 1.43 -0.05 -1.12 118.68 125.20 1k6c s LEU 76 Ca -0.09 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1k6c s LEU 76 Cb -0.12 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.86 1k6c s LEU 76 CO -0.00 0.29 -0.22 -0.69 0.23 0.00 0.00 176.35 175.96 1k6c s VAL 77 N -0.51 2.15 0.22 -1.59 1.01 0.10 -0.81 120.40 120.96 1k6c s VAL 77 Ca 0.16 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 1k6c s VAL 77 Cb -0.13 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.45 1k6c s VAL 77 CO 0.05 0.55 0.74 0.61 0.00 0.00 0.00 175.10 177.04 1k6c n GLY 78 N 3.92 0.94 3.14 4.51 0.00 -1.01 0.00 105.19 116.69 1k6c n GLY 78 Ca -0.20 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.51 2.24 -4.15 1.61 -0.04 -1.26 -2.86 135.00 130.03 1k6c n PRO 79 Ca -0.04 -2.43 -0.35 0.00 -0.04 0.00 0.00 63.50 60.64 1k6c n PRO 79 Cb 0.47 -3.27 -0.08 0.00 -0.04 0.00 0.00 33.50 30.58 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 5.27 4.81 0.43 0.52 -1.32 -1.26 -5.00 115.64 119.09 1k6c s THR 80 Ca 0.55 -0.12 0.20 0.00 -1.21 0.00 0.00 61.69 61.11 1k6c s THR 80 Cb 0.10 -3.08 0.23 0.00 -1.51 0.00 0.00 72.50 68.23 1k6c s THR 80 CO 0.05 0.56 2.02 1.55 -2.21 0.00 0.00 174.62 176.59 1k6c h PRO 81 N 4.88 0.00 -3.90 7.08 0.13 -1.98 -3.43 132.00 134.78 1k6c h PRO 81 Ca -0.52 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.49 1k6c h PRO 81 Cb 1.20 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 1k6c h PRO 81 CO 0.57 0.17 -0.54 -0.08 -0.23 0.00 0.00 178.00 177.89 1k6c s THR 82 N -4.42 0.15 0.04 1.56 -1.32 -1.26 -5.05 115.64 105.34 1k6c s THR 82 Ca -0.03 -1.25 -0.30 0.00 -1.21 0.00 0.00 61.69 58.90 1k6c s THR 82 Cb 0.15 -1.07 -0.05 0.00 -1.51 0.00 0.00 72.50 70.02 1k6c s THR 82 CO 0.65 -0.69 1.14 0.20 -2.21 0.00 0.00 174.62 173.71 1k6c s ASN 83 N -2.38 7.15 -0.16 8.08 0.01 -1.26 -4.64 114.94 121.73 1k6c s ASN 83 Ca -0.01 1.91 0.01 0.00 -0.71 0.00 0.00 52.86 54.06 1k6c s ASN 83 Cb 0.01 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.12 1k6c s ASN 83 CO -0.07 -0.43 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.21 1k6c s VAL 84 N 1.14 1.99 -0.35 1.60 1.01 0.12 -1.15 120.40 124.77 1k6c s VAL 84 Ca 0.57 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 1k6c s VAL 84 Cb -0.27 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1k6c s VAL 84 CO 0.28 0.53 0.42 -0.63 0.00 0.00 0.00 175.10 175.70 1k6c s ILE 85 N 1.18 5.11 0.52 2.22 -1.09 -0.08 -1.03 121.20 128.03 1k6c s ILE 85 Ca 0.02 0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.60 1k6c s ILE 85 Cb -0.14 -3.88 0.10 0.00 -1.58 0.00 0.00 42.46 36.97 1k6c s ILE 85 CO -0.10 -0.14 0.71 0.61 -1.23 0.00 0.00 174.94 174.79 1k6c n GLY 86 N 4.89 0.86 0.33 6.18 0.00 -1.18 -1.52 105.19 114.75 1k6c n GLY 86 Ca -0.07 -2.04 0.07 0.00 0.00 0.00 0.00 46.02 43.98 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 0.54 -0.85 1.61 3.08 -1.12 -1.08 114.38 116.56 1k6c h ARG 87 Ca -0.24 -0.03 0.15 0.00 0.07 0.00 0.00 59.98 59.94 1k6c h ARG 87 Cb 0.90 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.76 1k6c h ARG 87 CO 0.26 0.36 0.55 -2.95 -1.07 0.00 0.00 179.97 177.12 1k6c h ASN 88 N 0.55 0.54 0.16 7.04 -1.07 -1.81 -0.88 115.58 120.11 1k6c h ASN 88 Ca 0.22 0.04 -0.35 0.00 0.07 0.00 0.00 56.30 56.27 1k6c h ASN 88 Cb 0.17 -0.07 -0.06 0.00 -2.07 0.00 0.00 38.32 36.29 1k6c h ASN 88 CO -0.06 0.27 -2.16 0.18 0.07 0.00 0.00 177.43 175.72 1k6c n LEU 89 N -4.53 1.06 -0.19 6.14 4.77 -0.83 -4.26 117.00 119.16 1k6c n LEU 89 Ca 0.17 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1k6c n LEU 89 Cb 0.52 -0.02 0.25 0.00 -2.33 0.00 0.00 43.42 41.84 1k6c n LEU 89 CO 0.31 0.58 1.20 -0.07 -1.33 0.00 0.00 177.39 178.08 1k6c h LEU 90 N 0.01 0.83 -1.19 2.23 3.38 -0.73 -1.57 115.31 118.26 1k6c h LEU 90 Ca -0.46 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1k6c h LEU 90 Cb 2.10 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.61 1k6c h LEU 90 CO 0.03 0.62 0.40 0.71 0.09 0.00 0.00 178.44 180.29 1k6c h THR 91 N 0.96 1.20 -0.16 0.22 1.35 -1.37 -2.19 112.91 112.94 1k6c h THR 91 Ca 0.25 -0.48 -0.04 0.00 -0.55 0.00 0.00 66.41 65.59 1k6c h THR 91 Cb -0.07 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 66.59 1k6c h THR 91 CO -0.05 0.22 -0.09 1.56 -0.25 0.00 0.00 175.52 176.91 1k6c h GLN 92 N 0.97 0.24 -0.79 4.72 4.20 -1.46 -2.55 115.11 120.43 1k6c h GLN 92 Ca 0.25 -0.05 -0.26 0.00 0.06 0.00 0.00 58.65 58.65 1k6c h GLN 92 Cb -0.00 -0.04 -0.15 0.00 0.30 0.00 0.00 27.48 27.59 1k6c h GLN 92 CO -0.04 0.34 0.33 0.44 -0.67 0.00 0.00 178.83 179.22 1k6c n ILE 93 N -4.31 2.96 -3.43 2.54 -5.35 -1.03 -4.92 119.36 105.80 1k6c n ILE 93 Ca -0.01 -1.64 -0.25 0.00 -0.27 0.00 0.00 62.75 60.58 1k6c n ILE 93 Cb 0.24 -0.38 0.02 0.00 -1.74 0.00 0.00 39.64 37.78 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 -0.26 -0.51 3.71 3.28 0.00 -0.96 -4.94 105.19 105.51 1k6c n GLY 94 Ca 0.43 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 46.18 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 1.10 1.40 -0.16 0.00 -4.23 -1.26 -4.75 115.64 107.74 1k6c s THR 96 Ca 0.52 -2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 1k6c s THR 96 Cb -0.22 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.95 1k6c s THR 96 CO 0.27 -0.12 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.89 1k6c s LEU 97 N -3.48 2.67 0.01 4.79 2.96 -1.26 -5.10 118.68 119.28 1k6c s LEU 97 Ca 0.33 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 1k6c s LEU 97 Cb 0.07 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 1k6c s LEU 97 CO 0.14 0.09 -0.14 0.20 -1.32 0.00 0.00 176.35 175.33 1k6c s ASN 98 N 0.79 1.61 0.00 3.68 -0.87 -1.26 -5.30 114.94 113.59 1k6c s ASN 98 Ca -0.04 -0.33 0.00 0.00 -1.57 0.00 0.00 52.86 50.92 1k6c s ASN 98 Cb -0.15 -0.15 0.00 0.00 -0.02 0.00 0.00 41.25 40.93 1k6c s ASN 98 CO 0.01 0.11 0.00 2.22 -2.57 0.00 0.00 177.10 176.87