#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6m n LEU 11 N 0.00 0.96 0.14 -0.89 4.32 -1.26 -4.10 117.00 116.18 2k6m n LEU 11 Ca 0.00 0.30 0.08 0.00 -0.02 0.00 0.00 56.01 56.37 2k6m n LEU 11 Cb 0.00 0.06 0.58 0.00 -1.62 0.00 0.00 43.42 42.44 2k6m n LEU 11 CO 0.00 0.47 1.11 0.00 -1.22 0.00 0.00 177.39 177.76 2k6m h ALA 12 N 0.87 1.97 -1.07 -1.18 0.00 -2.14 -3.43 119.26 114.28 2k6m h ALA 12 Ca -0.36 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.08 2k6m h ALA 12 Cb 2.06 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.82 2k6m h ALA 12 CO 0.07 0.00 -0.19 0.15 0.00 0.00 0.00 179.25 179.28 2k6m s LYS 13 N -5.20 2.52 -0.26 0.00 -0.14 -1.26 -5.11 119.74 110.29 2k6m s LYS 13 Ca -0.06 -1.50 -0.01 0.00 -1.36 0.00 0.00 55.97 53.04 2k6m s LYS 13 Cb 0.18 -2.65 0.08 0.00 -1.68 0.00 0.00 37.83 33.76 2k6m s LYS 13 CO 0.70 -0.58 0.04 -0.51 -0.76 0.00 0.00 175.35 174.24 2k6m s LEU 14 N -4.49 2.21 -0.05 3.17 1.02 -1.26 -4.95 118.68 114.33 2k6m s LEU 14 Ca 0.57 -1.34 -0.01 0.00 0.02 0.00 0.00 54.13 53.37 2k6m s LEU 14 Cb -0.07 -0.92 0.03 0.00 0.02 0.00 0.00 46.19 45.24 2k6m s LEU 14 CO 0.35 -0.34 0.02 0.00 0.02 0.00 0.00 176.35 176.40 2k6m s LYS 16 N 1.68 0.66 0.07 0.00 1.02 -1.26 -5.14 119.74 116.77 2k6m s LYS 16 Ca -0.00 -0.17 0.03 0.00 0.02 0.00 0.00 55.97 55.85 2k6m s LYS 16 Cb -0.13 -1.58 -0.04 0.00 -0.52 0.00 0.00 37.83 35.56 2k6m s LYS 16 CO -0.03 -0.48 0.05 0.99 -0.92 0.00 0.00 175.35 174.96 2k6m s THR 17 N 1.91 4.34 -0.28 2.17 2.01 -1.26 -5.09 115.64 119.44 2k6m s THR 17 Ca 0.02 -0.81 -0.21 0.00 0.31 0.00 0.00 61.69 61.01 2k6m s THR 17 Cb -0.15 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 2k6m s THR 17 CO -0.07 0.16 0.65 -0.63 -0.69 0.00 0.00 174.62 174.04 2k6m s ILE 18 N -1.32 4.94 0.21 1.82 -1.09 -1.26 -4.78 121.20 119.72 2k6m s ILE 18 Ca 0.27 1.02 -0.12 0.00 -2.23 0.00 0.00 60.65 59.59 2k6m s ILE 18 Cb -0.12 -3.99 -0.07 0.00 -1.58 0.00 0.00 42.46 36.70 2k6m s ILE 18 CO 0.19 -0.07 0.57 -0.31 -1.23 0.00 0.00 174.94 174.09 2k6m s TYR 19 N 2.60 3.49 -0.31 3.97 1.51 -1.11 -4.98 117.35 122.52 2k6m s TYR 19 Ca 0.26 0.98 -0.33 0.00 -1.01 0.00 0.00 57.07 56.97 2k6m s TYR 19 Cb -0.15 -2.33 -0.10 0.00 -0.11 0.00 0.00 41.96 39.27 2k6m s TYR 19 CO 0.10 0.31 2.19 -0.35 -1.11 0.00 0.00 175.55 176.70 2k6m n PRO 20 N 0.20 1.33 -0.33 -1.71 -0.04 -1.26 -4.83 135.00 128.37 2k6m n PRO 20 Ca -0.01 0.36 0.26 0.00 -0.04 0.00 0.00 63.50 64.07 2k6m n PRO 20 Cb 0.52 -2.67 0.49 0.00 -0.04 0.00 0.00 33.50 31.80 2k6m n PRO 20 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 2k6m h LEU 21 N 13.03 0.17 -0.33 1.53 -0.00 -1.93 0.54 115.31 128.32 2k6m h LEU 21 Ca -0.31 0.25 0.02 0.00 -0.00 0.00 0.00 57.88 57.83 2k6m h LEU 21 Cb 1.30 0.29 -0.02 0.00 -0.00 0.00 0.00 40.66 42.23 2k6m h LEU 21 CO 1.00 -0.35 0.18 0.00 -0.00 0.00 0.00 178.44 179.27 2k6m h ALA 22 N 1.96 0.41 -0.69 0.17 0.00 -1.97 0.58 119.26 119.72 2k6m h ALA 22 Ca 0.76 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.68 2k6m h ALA 22 Cb 1.87 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 2k6m h ALA 22 CO -0.77 -0.19 0.45 -0.44 0.00 0.00 0.00 179.25 178.30 2k6m h ASP 23 N 0.37 0.80 1.31 0.00 5.19 -0.24 -2.66 116.42 121.20 2k6m h ASP 23 Ca 0.13 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2k6m h ASP 23 Cb 0.02 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.33 2k6m h ASP 23 CO -0.08 0.60 -0.30 0.17 -3.12 0.00 0.00 179.24 176.51 2k6m h LEU 24 N 0.94 0.00 -0.04 1.55 -0.00 -0.99 -0.93 115.31 115.85 2k6m h LEU 24 Ca 0.25 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 2k6m h LEU 24 Cb -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.57 2k6m h LEU 24 CO -0.05 0.04 -0.24 -0.11 -0.00 0.00 0.00 178.44 178.07 2k6m n LEU 25 N -2.38 0.30 0.00 0.17 7.94 0.20 -4.71 117.00 118.52 2k6m n LEU 25 Ca 0.04 0.20 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 2k6m n LEU 25 Cb 0.46 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 44.07 2k6m n LEU 25 CO 0.34 0.07 0.00 0.00 -1.11 0.00 0.00 177.39 176.69 2k6m n ALA 26 N -1.42 0.00 -3.28 1.96 0.00 -1.13 -4.78 120.51 111.86 2k6m n ALA 26 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 2k6m n ALA 26 Cb 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.69 2k6m n ALA 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k6m s ARG 27 N 0.00 0.56 -0.06 0.00 3.00 -0.35 -4.97 118.95 117.12 2k6m s ARG 27 Ca 0.00 0.28 -0.02 0.00 -1.00 0.00 0.00 55.73 54.99 2k6m s ARG 27 Cb 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 34.95 35.20 2k6m s ARG 27 CO 0.00 -0.11 1.04 -2.30 0.00 0.00 0.00 175.30 173.93 2k6m n PRO 28 N 2.23 0.01 -1.71 5.12 -0.02 -1.26 -4.35 135.00 135.01 2k6m n PRO 28 Ca -0.16 -0.10 -0.31 0.00 -2.02 0.00 0.00 63.50 60.90 2k6m n PRO 28 Cb 0.57 -1.18 0.04 0.00 -0.02 0.00 0.00 33.50 32.91 2k6m n PRO 28 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2k6m s LEU 29 N 1.01 3.21 0.00 2.45 -0.00 -1.24 -5.01 118.68 119.10 2k6m s LEU 29 Ca 0.05 1.61 0.00 0.00 -0.00 0.00 0.00 54.13 55.79 2k6m s LEU 29 Cb -0.00 -4.50 0.00 0.00 -0.00 0.00 0.00 46.19 41.69 2k6m s LEU 29 CO 0.01 -1.28 0.00 -2.65 -0.00 0.00 0.00 176.35 172.43 2k6m n PRO 30 N -2.88 1.82 -0.12 1.48 -0.02 -1.26 -5.00 135.00 129.03 2k6m n PRO 30 Ca 0.07 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.34 2k6m n PRO 30 Cb 0.54 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.92 2k6m n PRO 30 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2k6m n GLU 31 N 0.00 0.54 -0.22 -0.52 0.00 -1.26 -4.31 120.64 114.88 2k6m n GLU 31 Ca 0.00 0.18 0.31 0.00 0.00 0.00 0.00 57.16 57.65 2k6m n GLU 31 Cb 0.00 -1.41 0.70 0.00 0.00 0.00 0.00 31.44 30.73 2k6m n GLU 31 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2k6m h GLY 32 N 0.46 0.00 -6.81 8.31 0.00 -1.99 -3.33 103.07 99.71 2k6m h GLY 32 Ca -0.56 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.21 2k6m h GLY 32 CO -0.23 0.00 0.97 0.14 0.00 0.00 0.00 176.54 177.42 2k6m s VAL 33 N -4.78 4.09 0.11 4.60 1.01 -1.26 -4.98 120.40 119.19 2k6m s VAL 33 Ca -0.04 1.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 2k6m s VAL 33 Cb 0.20 -4.58 -0.06 0.00 0.00 0.00 0.00 36.38 31.94 2k6m s VAL 33 CO 0.69 -1.07 1.07 -1.81 0.00 0.00 0.00 175.10 173.98 2k6m s ASP 34 N 2.89 7.29 0.00 3.32 1.11 -1.25 -4.84 116.67 125.19 2k6m s ASP 34 Ca 0.49 1.94 0.24 0.00 0.18 0.00 0.00 52.55 55.40 2k6m s ASP 34 Cb -0.08 -2.59 1.41 0.00 1.07 0.00 0.00 42.92 42.73 2k6m s ASP 34 CO 0.30 -0.25 1.79 -0.81 1.18 0.00 0.00 175.17 177.39 2k6m n PRO 35 N 3.04 0.72 -0.11 8.23 -0.04 -1.26 -3.03 135.00 142.55 2k6m n PRO 35 Ca 0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.53 2k6m n PRO 35 Cb 0.48 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 2k6m n PRO 35 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2k6m n LEU 36 N -1.02 1.03 -2.89 1.53 -0.00 -1.26 -4.88 117.00 109.53 2k6m n LEU 36 Ca 0.18 -1.38 -0.00 0.00 -0.00 0.00 0.00 56.01 54.81 2k6m n LEU 36 Cb 0.09 -0.08 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 2k6m n LEU 36 CO 0.14 0.33 0.29 -1.59 -0.00 0.00 0.00 177.39 176.56 2k6m s LYS 37 N -0.84 0.55 -0.08 1.47 -2.85 -1.17 -4.99 119.74 111.83 2k6m s LYS 37 Ca 0.06 -0.33 -0.09 0.00 -1.00 0.00 0.00 55.97 54.61 2k6m s LYS 37 Cb 0.05 0.03 -0.29 0.00 -2.06 0.00 0.00 37.83 35.56 2k6m s LYS 37 CO 0.01 -0.75 0.54 -0.07 0.10 0.00 0.00 175.35 175.18 2k6m h LEU 38 N 5.62 0.53 -1.47 2.77 3.38 -1.90 -3.35 115.31 120.89 2k6m h LEU 38 Ca 0.01 -0.93 0.25 0.00 0.09 0.00 0.00 57.88 57.30 2k6m h LEU 38 Cb 1.18 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 2k6m h LEU 38 CO -0.01 1.81 0.93 1.05 0.09 0.00 0.00 178.44 182.31 2k6m h GLU 39 N 0.09 0.00 0.00 1.13 4.11 -1.94 0.89 114.58 118.85 2k6m h GLU 39 Ca -0.38 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.02 2k6m h GLU 39 Cb 2.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.32 2k6m h GLU 39 CO 0.14 0.00 -0.15 -0.84 0.07 0.00 0.00 179.01 178.23 2k6m h ILE 40 N 0.00 0.27 -0.41 -1.06 -0.00 -2.00 -3.33 117.51 110.98 2k6m h ILE 40 Ca 0.40 -1.35 -0.27 0.00 -0.00 0.00 0.00 64.86 63.64 2k6m h ILE 40 Cb 2.26 2.11 -0.18 0.00 -0.00 0.00 0.00 36.82 41.01 2k6m h ILE 40 CO -0.00 0.15 -0.33 0.00 -0.00 0.00 0.00 178.15 177.96 2k6m n TYR 41 N -3.14 1.41 -3.69 0.16 0.18 0.31 -4.96 117.16 107.42 2k6m n TYR 41 Ca 0.03 -1.86 -0.23 0.00 1.88 0.00 0.00 57.90 57.72 2k6m n TYR 41 Cb 0.58 -0.46 -0.17 0.00 -0.38 0.00 0.00 39.34 38.91 2k6m n TYR 41 CO 0.00 0.00 0.00 -0.48 -2.08 0.00 0.00 176.86 174.30 2k6m s LEU 42 N -3.39 0.47 0.86 -3.48 0.05 -1.18 -2.76 118.68 109.25 2k6m s LEU 42 Ca 0.46 -0.28 -0.12 0.00 0.05 0.00 0.00 54.13 54.24 2k6m s LEU 42 Cb 0.41 -0.31 0.12 0.00 -2.05 0.00 0.00 46.19 44.35 2k6m s LEU 42 CO -0.01 -0.27 1.18 0.42 -0.55 0.00 0.00 176.35 177.12 2k6m s THR 43 N 2.06 2.00 0.45 5.48 -4.23 -1.26 -3.86 115.64 116.29 2k6m s THR 43 Ca 0.03 0.00 0.39 0.00 -1.18 0.00 0.00 61.69 60.93 2k6m s THR 43 Cb -0.14 -2.21 0.58 0.00 1.34 0.00 0.00 72.50 72.07 2k6m s THR 43 CO -0.06 -0.00 1.38 -0.90 -0.54 0.00 0.00 174.62 174.50 2k6m n ASP 44 N -3.78 0.07 0.05 3.99 5.68 -1.26 0.26 116.55 121.56 2k6m n ASP 44 Ca 0.13 1.01 -0.12 0.00 -0.50 0.00 0.00 54.79 55.31 2k6m n ASP 44 Cb 0.51 -0.50 -0.09 0.00 -1.14 0.00 0.00 41.12 39.90 2k6m n ASP 44 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2k6m h GLU 45 N 0.00 -0.18 0.00 0.11 4.39 -1.92 1.70 114.58 118.68 2k6m h GLU 45 Ca 0.82 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 60.47 2k6m h GLU 45 Cb 3.05 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 31.73 2k6m h GLU 45 CO -0.16 0.26 -0.28 0.22 -1.16 0.00 0.00 179.01 177.88 2k6m h ASP 46 N -0.72 0.00 -0.03 1.42 1.82 0.13 -0.17 116.42 118.87 2k6m h ASP 46 Ca -0.02 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.46 2k6m h ASP 46 Cb 0.52 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.54 2k6m h ASP 46 CO 0.03 0.28 -0.62 0.15 -1.61 0.00 0.00 179.24 177.47 2k6m h PHE 47 N 0.00 0.68 -0.16 0.28 3.04 0.37 -1.72 116.94 119.42 2k6m h PHE 47 Ca -0.00 -0.35 -0.07 0.00 3.98 0.00 0.00 57.97 61.53 2k6m h PHE 47 Cb 0.62 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.04 2k6m h PHE 47 CO 0.00 1.16 -0.17 0.93 -2.02 0.00 0.00 178.31 178.21 2k6m h GLU 48 N 0.01 0.41 0.00 1.11 5.08 0.29 0.56 114.58 122.03 2k6m h GLU 48 Ca -0.07 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2k6m h GLU 48 Cb 1.31 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 2k6m h GLU 48 CO 0.12 0.78 -0.03 0.35 -1.00 0.00 0.00 179.01 179.24 2k6m h PHE 49 N 0.05 0.00 0.00 4.33 3.57 -1.15 -1.99 116.94 121.75 2k6m h PHE 49 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2k6m h PHE 49 Cb 0.71 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.45 2k6m h PHE 49 CO 0.08 0.03 -0.88 0.00 -2.23 0.00 0.00 178.31 175.31 2k6m n ALA 50 N -2.11 0.83 0.94 2.41 0.00 -0.65 -4.74 120.51 117.20 2k6m n ALA 50 Ca 0.03 -0.75 0.10 0.00 0.00 0.00 0.00 53.44 52.82 2k6m n ALA 50 Cb 0.45 0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 2k6m n ALA 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k6m n LEU 51 N -4.25 1.56 -0.38 0.00 4.77 0.62 -4.95 117.00 114.37 2k6m n LEU 51 Ca -0.12 -0.66 -0.05 0.00 -0.03 0.00 0.00 56.01 55.15 2k6m n LEU 51 Cb 0.46 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 2k6m n LEU 51 CO 0.19 0.32 -0.05 0.47 -1.33 0.00 0.00 177.39 176.98 2k6m n ASP 52 N -0.60 -5.00 -3.29 -1.43 8.00 0.16 -4.94 116.55 109.45 2k6m n ASP 52 Ca 0.07 0.12 -0.20 0.00 0.71 0.00 0.00 54.79 55.49 2k6m n ASP 52 Cb 0.39 -2.93 -0.06 0.00 -0.02 0.00 0.00 41.12 38.50 2k6m n ASP 52 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2k6m n MET 53 N -0.99 0.56 -4.26 -1.24 2.81 -0.97 -4.83 117.12 108.21 2k6m n MET 53 Ca -0.05 -2.82 -0.14 0.00 -1.81 0.00 0.00 57.70 52.88 2k6m n MET 53 Cb 0.40 1.73 -0.10 0.00 -0.71 0.00 0.00 33.22 34.53 2k6m n MET 53 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2k6m s THR 54 N -2.89 0.98 0.61 2.03 -1.32 -1.26 -2.87 115.64 110.92 2k6m s THR 54 Ca 0.21 -2.02 0.30 0.00 -1.21 0.00 0.00 61.69 58.97 2k6m s THR 54 Cb 0.01 -2.02 0.36 0.00 -1.51 0.00 0.00 72.50 69.35 2k6m s THR 54 CO 0.15 -0.59 2.05 -0.09 -2.21 0.00 0.00 174.62 173.92 2k6m h ARG 55 N 2.70 0.00 -0.00 7.08 2.43 -1.85 0.51 114.38 125.26 2k6m h ARG 55 Ca -0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2k6m h ARG 55 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2k6m h ARG 55 CO 0.64 0.00 -0.56 -0.25 -1.51 0.00 0.00 179.97 178.29 2k6m n ASP 56 N -3.56 0.70 -0.11 -3.80 9.92 -1.26 -2.48 116.55 115.97 2k6m n ASP 56 Ca 0.02 -0.51 -0.18 0.00 -0.53 0.00 0.00 54.79 53.59 2k6m n ASP 56 Cb 0.38 0.38 -0.07 0.00 -0.64 0.00 0.00 41.12 41.17 2k6m n ASP 56 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2k6m n GLU 57 N -1.34 0.54 0.02 -1.24 0.00 0.16 -4.39 120.64 114.40 2k6m n GLU 57 Ca 0.06 0.38 -0.03 0.00 0.00 0.00 0.00 57.16 57.58 2k6m n GLU 57 Cb 0.34 -1.58 0.22 0.00 0.00 0.00 0.00 31.44 30.42 2k6m n GLU 57 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 2k6m h TYR 58 N -1.00 0.51 -1.70 4.31 0.05 -1.23 -2.80 116.97 115.12 2k6m h TYR 58 Ca -0.31 -0.10 0.52 0.00 0.05 0.00 0.00 58.73 58.88 2k6m h TYR 58 Cb 1.18 -0.13 -0.10 0.00 1.01 0.00 0.00 36.73 38.69 2k6m h TYR 58 CO -0.15 0.66 1.19 -0.91 -1.05 0.00 0.00 178.16 177.89 2k6m h ASN 59 N 0.42 0.08 0.00 3.88 -0.26 -1.65 0.26 115.58 118.31 2k6m h ASN 59 Ca 0.07 0.05 -0.27 0.00 -0.56 0.00 0.00 56.30 55.59 2k6m h ASN 59 Cb 0.62 0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 37.88 2k6m h ASN 59 CO 0.04 -0.08 -2.02 0.00 -1.06 0.00 0.00 177.43 174.31 2k6m n ALA 60 N -2.77 1.63 -1.78 -0.83 0.00 -1.13 -4.99 120.51 110.63 2k6m n ALA 60 Ca 0.41 -0.89 -0.41 0.00 0.00 0.00 0.00 53.44 52.55 2k6m n ALA 60 Cb 1.78 -0.01 -0.00 0.00 0.00 0.00 0.00 19.45 21.22 2k6m n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k6m s LEU 61 N -5.46 4.31 0.12 0.00 1.43 0.08 -4.86 118.68 114.30 2k6m s LEU 61 Ca -0.14 3.03 -0.27 0.00 -1.03 0.00 0.00 54.13 55.72 2k6m s LEU 61 Cb 0.05 -3.68 -0.15 0.00 0.03 0.00 0.00 46.19 42.44 2k6m s LEU 61 CO 0.53 -0.87 0.59 -2.65 0.23 0.00 0.00 176.35 174.18 2k6m n PRO 62 N 0.44 0.00 0.25 1.29 -0.01 -1.26 -4.64 135.00 131.06 2k6m n PRO 62 Ca 0.01 0.00 0.17 0.00 -0.01 0.00 0.00 63.50 63.67 2k6m n PRO 62 Cb 0.39 -0.99 0.86 0.00 -0.01 0.00 0.00 33.50 33.75 2k6m n PRO 62 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2k6m h ALA 63 N 1.39 1.00 0.12 3.55 0.00 -1.89 -0.63 119.26 122.80 2k6m h ALA 63 Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.25 2k6m h ALA 63 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2k6m h ALA 63 CO 0.51 0.00 -1.95 -2.67 0.00 0.00 0.00 179.25 175.14 2k6m n TRP 64 N -2.68 1.28 -0.16 0.00 4.27 -1.26 -2.96 117.44 115.92 2k6m n TRP 64 Ca -0.02 0.28 -0.08 0.00 -3.89 0.00 0.00 57.50 53.80 2k6m n TRP 64 Cb 0.10 -1.16 0.01 0.00 -1.36 0.00 0.00 31.31 28.89 2k6m n TRP 64 CO 0.00 0.00 0.00 -0.22 -2.29 0.00 0.00 177.69 175.18 2k6m h LYS 65 N 0.02 0.67 -0.77 -2.67 3.64 -1.67 2.15 116.57 117.94 2k6m h LYS 65 Ca -0.42 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2k6m h LYS 65 Cb 2.00 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 33.66 2k6m h LYS 65 CO 0.08 0.55 0.49 -0.56 -2.27 0.00 0.00 179.45 177.73 2k6m h GLN 66 N 0.63 1.03 -0.67 1.90 3.07 -1.30 -0.32 115.11 119.44 2k6m h GLN 66 Ca 0.17 -0.08 -0.06 0.00 0.09 0.00 0.00 58.65 58.77 2k6m h GLN 66 Cb 0.09 -0.22 -0.03 0.00 0.08 0.00 0.00 27.48 27.40 2k6m h GLN 66 CO -0.02 0.71 0.20 0.28 0.09 0.00 0.00 178.83 180.08 2k6m h VAL 67 N 1.05 1.25 -0.99 1.86 2.07 -1.18 -2.49 116.25 117.82 2k6m h VAL 67 Ca 0.28 -0.88 0.35 0.00 0.82 0.00 0.00 66.70 67.26 2k6m h VAL 67 Cb -0.08 0.56 -0.16 0.00 -1.52 0.00 0.00 31.29 30.09 2k6m h VAL 67 CO -0.06 0.34 0.51 -1.13 0.02 0.00 0.00 177.57 177.25 2k6m h ASN 68 N 0.97 0.36 0.00 0.57 -1.24 0.53 -0.42 115.58 116.36 2k6m h ASN 68 Ca 0.21 0.22 -0.01 0.00 0.71 0.00 0.00 56.30 57.43 2k6m h ASN 68 Cb 0.31 0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.57 2k6m h ASN 68 CO -0.01 -0.25 -0.07 -0.07 -1.29 0.00 0.00 177.43 175.74 2k6m h LEU 69 N 0.19 0.00 0.03 0.34 -0.00 -1.17 -2.62 115.31 112.08 2k6m h LEU 69 Ca 0.76 -0.95 0.02 0.00 -0.00 0.00 0.00 57.88 57.70 2k6m h LEU 69 Cb 1.82 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 42.42 2k6m h LEU 69 CO -0.68 1.02 -0.53 0.11 -0.00 0.00 0.00 178.44 178.35 2k6m h LYS 70 N -1.00 -0.67 -0.03 1.13 1.57 -0.76 -1.37 116.57 115.43 2k6m h LYS 70 Ca -0.02 0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 2k6m h LYS 70 Cb 1.00 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 2k6m h LYS 70 CO -0.01 -0.45 -0.40 0.87 -0.57 0.00 0.00 179.45 178.90 2k6m h LYS 71 N -0.69 0.07 -0.34 3.15 1.57 -1.32 1.18 116.57 120.18 2k6m h LYS 71 Ca 0.01 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2k6m h LYS 71 Cb 0.73 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 2k6m h LYS 71 CO -0.34 0.46 0.23 0.00 -0.57 0.00 0.00 179.45 179.23 2k6m h ALA 72 N 1.54 1.85 -0.29 3.86 0.00 -0.96 -1.24 119.26 124.02 2k6m h ALA 72 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k6m h ALA 72 Cb 0.73 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2k6m h ALA 72 CO 0.05 0.11 0.00 1.17 0.00 0.00 0.00 179.25 180.58 2k6m n LYS 73 N -4.49 2.15 -2.07 0.00 4.81 -0.59 -4.96 118.16 113.01 2k6m n LYS 73 Ca 0.03 -1.99 -0.08 0.00 -0.87 0.00 0.00 58.31 55.40 2k6m n LYS 73 Cb 0.13 -1.39 -0.01 0.00 0.02 0.00 0.00 35.03 33.78 2k6m n LYS 73 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k6m n GLY 74 N 1.08 0.12 0.00 3.14 0.00 -0.47 -4.99 105.19 104.07 2k6m n GLY 74 Ca 0.15 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2k6m n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k6m n LEU 75 N -1.12 0.70 0.00 0.99 4.77 0.40 -4.81 117.00 117.93 2k6m n LEU 75 Ca -0.09 0.01 0.15 0.00 -0.03 0.00 0.00 56.01 56.05 2k6m n LEU 75 Cb 0.55 0.00 0.91 0.00 -2.33 0.00 0.00 43.42 42.55 2k6m n LEU 75 CO 0.11 0.00 1.08 2.22 -1.33 0.00 0.00 177.39 179.47