#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0y h ALA 2 N 0.00 0.00 -2.04 3.04 0.00 -2.04 -3.40 119.26 114.81 2k0y h ALA 2 Ca 0.00 -0.45 -0.66 0.00 0.00 0.00 0.00 54.91 53.80 2k0y h ALA 2 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.64 2k0y h ALA 2 CO 0.00 -0.03 0.19 0.99 0.00 0.00 0.00 179.25 180.40 2k0y s THR 3 N -2.72 4.74 0.15 0.00 2.01 -1.26 -4.92 115.64 113.65 2k0y s THR 3 Ca -0.18 -0.17 -0.18 0.00 0.31 0.00 0.00 61.69 61.47 2k0y s THR 3 Cb -0.02 -4.34 0.04 0.00 0.01 0.00 0.00 72.50 68.20 2k0y s THR 3 CO 0.70 -0.83 0.48 -0.22 -0.69 0.00 0.00 174.62 174.05 2k0y s LEU 4 N 2.99 0.07 -0.21 4.42 2.96 -1.26 -4.93 118.68 122.73 2k0y s LEU 4 Ca 0.20 -0.27 -0.20 0.00 -0.22 0.00 0.00 54.13 53.64 2k0y s LEU 4 Cb -0.16 2.11 -0.02 0.00 0.50 0.00 0.00 46.19 48.61 2k0y s LEU 4 CO 0.15 -0.93 0.62 -0.76 -1.32 0.00 0.00 176.35 174.11 2k0y s LEU 5 N -2.80 4.13 0.00 -0.68 1.43 -1.26 -4.92 118.68 114.58 2k0y s LEU 5 Ca 0.04 0.80 0.04 0.00 -1.03 0.00 0.00 54.13 53.97 2k0y s LEU 5 Cb 0.00 -2.86 0.04 0.00 0.03 0.00 0.00 46.19 43.40 2k0y s LEU 5 CO -0.10 -0.28 0.29 0.35 0.23 0.00 0.00 176.35 176.85 2k0y n THR 6 N 4.75 0.00 -0.28 5.49 -2.24 -1.26 -4.85 114.28 115.88 2k0y n THR 6 Ca -0.02 -0.80 -0.00 0.00 -2.27 0.00 0.00 64.05 60.96 2k0y n THR 6 Cb 0.50 -0.71 0.12 0.00 -2.10 0.00 0.00 70.33 68.14 2k0y n THR 6 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2k0y h THR 7 N 0.14 1.03 -0.14 4.28 2.02 -1.96 0.25 112.91 118.52 2k0y h THR 7 Ca -0.12 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 66.77 2k0y h THR 7 Cb 0.51 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2k0y h THR 7 CO 0.17 0.16 0.06 -0.78 0.37 0.00 0.00 175.52 175.51 2k0y h ASP 8 N 0.89 0.09 -0.41 4.18 3.58 -1.95 0.11 116.42 122.92 2k0y h ASP 8 Ca 0.35 0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.66 2k0y h ASP 8 Cb 0.16 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2k0y h ASP 8 CO -0.17 0.08 -0.29 0.44 -2.88 0.00 0.00 179.24 176.42 2k0y h ASP 9 N 0.14 0.98 -0.27 2.28 3.32 -1.82 -2.70 116.42 118.35 2k0y h ASP 9 Ca 0.06 -0.40 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 2k0y h ASP 9 Cb 0.02 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 2k0y h ASP 9 CO -0.04 1.19 -0.04 0.25 -1.72 0.00 0.00 179.24 178.87 2k0y h LEU 10 N 0.80 0.51 -0.60 1.55 5.85 -0.31 -2.59 115.31 120.50 2k0y h LEU 10 Ca 0.09 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.56 2k0y h LEU 10 Cb 0.86 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 2k0y h LEU 10 CO 0.08 0.73 0.22 -0.09 -0.34 0.00 0.00 178.44 179.04 2k0y h ARG 11 N 0.27 0.39 -0.70 1.25 2.43 -0.75 -1.56 114.38 115.71 2k0y h ARG 11 Ca 0.07 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 2k0y h ARG 11 Cb 0.50 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.90 2k0y h ARG 11 CO 0.02 0.26 0.38 0.00 -1.51 0.00 0.00 179.97 179.12 2k0y h ARG 12 N 0.40 0.65 -0.43 0.20 3.08 -1.27 -1.29 114.38 115.73 2k0y h ARG 12 Ca 0.30 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 2k0y h ARG 12 Cb 0.38 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2k0y h ARG 12 CO -0.31 0.43 0.25 0.00 -1.07 0.00 0.00 179.97 179.27 2k0y h ALA 13 N 1.39 0.55 -0.05 0.04 0.00 -0.91 0.27 119.26 120.53 2k0y h ALA 13 Ca 0.33 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2k0y h ALA 13 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2k0y h ALA 13 CO -0.22 0.05 -0.25 -0.07 0.00 0.00 0.00 179.25 178.76 2k0y h LEU 14 N 0.56 0.09 -0.47 0.00 4.07 -0.90 -0.61 115.31 118.05 2k0y h LEU 14 Ca 0.15 -0.02 -0.17 0.00 0.08 0.00 0.00 57.88 57.92 2k0y h LEU 14 Cb 0.02 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2k0y h LEU 14 CO -0.03 0.34 -0.68 0.58 -1.08 0.00 0.00 178.44 177.58 2k0y h VAL 15 N 0.08 1.37 -0.49 1.22 2.07 -0.41 -0.87 116.25 119.23 2k0y h VAL 15 Ca 0.01 -2.06 -0.08 0.00 0.82 0.00 0.00 66.70 65.39 2k0y h VAL 15 Cb 0.49 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 2k0y h VAL 15 CO 0.03 0.62 0.00 -0.33 0.02 0.00 0.00 177.57 177.92 2k0y h GLU 16 N 0.28 0.87 0.08 1.57 5.08 -0.09 0.40 114.58 122.75 2k0y h GLU 16 Ca -0.02 -0.28 -0.24 0.00 -1.00 0.00 0.00 59.36 57.83 2k0y h GLU 16 Cb 1.23 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 30.43 2k0y h GLU 16 CO 0.12 0.90 -0.97 0.66 -1.00 0.00 0.00 179.01 178.72 2k0y h SER 17 N 0.73 0.72 0.41 1.42 4.64 -1.11 -3.34 113.55 117.02 2k0y h SER 17 Ca 0.14 -0.82 -0.31 0.00 -0.47 0.00 0.00 61.79 60.33 2k0y h SER 17 Cb 0.51 -0.22 0.02 0.00 -0.31 0.00 0.00 62.40 62.40 2k0y h SER 17 CO 0.03 1.46 -1.41 0.00 -0.87 0.00 0.00 176.83 176.04 2k0y h ALA 18 N 0.27 -0.03 0.00 5.18 0.00 -1.24 -3.51 119.26 119.94 2k0y h ALA 18 Ca -0.14 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 53.87 2k0y h ALA 18 Cb 1.67 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.59 2k0y h ALA 18 CO 0.19 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.68 2k0y n GLY 19 N 1.65 -0.40 3.49 0.00 0.00 0.13 -4.61 105.19 105.45 2k0y n GLY 19 Ca -0.14 -1.82 -0.44 0.00 0.00 0.00 0.00 46.02 43.63 2k0y n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k0y s GLU 20 N -1.20 3.93 0.00 1.61 1.03 -1.26 -4.80 118.70 118.01 2k0y s GLU 20 Ca 0.00 -2.17 0.00 0.00 0.03 0.00 0.00 54.97 52.83 2k0y s GLU 20 Cb 0.00 -5.15 0.00 0.00 -0.80 0.00 0.00 34.13 28.18 2k0y s GLU 20 CO 0.00 -1.90 0.00 0.25 -1.33 0.00 0.00 175.26 172.28 2k0y n THR 21 N 5.34 0.00 0.65 1.83 -2.24 -1.26 -4.68 114.28 113.93 2k0y n THR 21 Ca 0.36 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.26 2k0y n THR 21 Cb 0.45 -0.00 0.23 0.00 -2.10 0.00 0.00 70.33 68.91 2k0y n THR 21 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k0y n ASP 22 N 0.00 0.65 0.00 3.42 8.00 -1.26 -4.90 116.55 122.46 2k0y n ASP 22 Ca 0.00 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.63 2k0y n ASP 22 Cb 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2k0y n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0y n GLY 23 N 1.36 3.21 3.82 0.44 0.00 -1.26 -4.98 105.19 107.78 2k0y n GLY 23 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 2k0y n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k0y n THR 24 N -0.99 0.00 -3.44 2.61 -2.24 -1.26 -4.48 114.28 104.48 2k0y n THR 24 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 2k0y n THR 24 Cb 0.00 -0.21 -0.08 0.00 -2.10 0.00 0.00 70.33 67.94 2k0y n THR 24 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2k0y n ASP 25 N -3.83 3.70 -0.01 3.42 2.03 -1.26 -4.72 116.55 115.88 2k0y n ASP 25 Ca 0.00 -3.43 0.08 0.00 0.52 0.00 0.00 54.79 51.96 2k0y n ASP 25 Cb 0.28 -0.67 -0.11 0.00 -0.72 0.00 0.00 41.12 39.90 2k0y n ASP 25 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2k0y n LEU 26 N 0.90 0.20 -4.63 -2.67 7.94 -1.26 -4.97 117.00 112.52 2k0y n LEU 26 Ca 0.29 -0.14 -0.49 0.00 -1.11 0.00 0.00 56.01 54.56 2k0y n LEU 26 Cb 0.41 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.31 2k0y n LEU 26 CO 0.40 0.05 1.03 -1.54 -1.11 0.00 0.00 177.39 176.23 2k0y n SER 27 N -1.85 2.28 0.00 1.96 3.41 -1.26 -4.32 113.62 113.84 2k0y n SER 27 Ca -0.01 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 2k0y n SER 27 Cb 0.36 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 2k0y n SER 27 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k0y n GLY 28 N 2.93 1.55 3.36 5.00 0.00 -1.26 -4.78 105.19 112.00 2k0y n GLY 28 Ca 0.18 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 2k0y n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k0y s ASP 29 N -4.00 4.21 -0.01 1.61 1.11 -1.26 -4.62 116.67 113.71 2k0y s ASP 29 Ca 0.00 -0.33 0.02 0.00 0.18 0.00 0.00 52.55 52.42 2k0y s ASP 29 Cb 0.00 -1.68 0.03 0.00 1.07 0.00 0.00 42.92 42.34 2k0y s ASP 29 CO 0.00 0.10 0.83 2.22 1.18 0.00 0.00 175.17 179.50 2k0y n PHE 30 N 4.00 0.00 -0.05 4.23 -1.74 -1.26 -4.84 117.46 117.81 2k0y n PHE 30 Ca -0.18 -0.33 0.23 0.00 -0.56 0.00 0.00 57.45 56.61 2k0y n PHE 30 Cb 0.52 -0.04 0.71 0.00 1.52 0.00 0.00 39.48 42.19 2k0y n PHE 30 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 2k0y h LEU 31 N 0.00 0.00 -0.71 5.98 3.38 -1.93 0.91 115.31 122.94 2k0y h LEU 31 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k0y h LEU 31 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2k0y h LEU 31 CO 0.00 0.00 -0.57 -0.90 0.09 0.00 0.00 178.44 177.06 2k0y n ASP 32 N -4.20 1.67 -4.68 -0.43 5.75 -1.26 -2.88 116.55 110.52 2k0y n ASP 32 Ca 0.12 -1.31 -0.42 0.00 -0.01 0.00 0.00 54.79 53.18 2k0y n ASP 32 Cb 0.74 0.55 -0.03 0.00 -1.03 0.00 0.00 41.12 41.34 2k0y n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2k0y s LEU 33 N -2.61 4.21 0.34 -2.12 1.02 0.31 -4.98 118.68 114.86 2k0y s LEU 33 Ca 0.17 1.34 -0.26 0.00 0.02 0.00 0.00 54.13 55.39 2k0y s LEU 33 Cb 0.18 -3.39 -0.09 0.00 0.02 0.00 0.00 46.19 42.91 2k0y s LEU 33 CO 0.64 -0.42 1.04 -0.13 0.02 0.00 0.00 176.35 177.49 2k0y s ARG 34 N 2.09 4.42 0.14 1.70 0.52 -1.26 -4.36 118.95 122.20 2k0y s ARG 34 Ca 0.43 1.57 -0.15 0.00 -0.52 0.00 0.00 55.73 57.06 2k0y s ARG 34 Cb -0.17 -2.82 0.02 0.00 0.52 0.00 0.00 34.95 32.49 2k0y s ARG 34 CO 0.15 0.07 1.68 0.74 0.02 0.00 0.00 175.30 177.96 2k0y h PHE 35 N 3.10 0.72 -0.13 -0.53 0.04 -1.85 -1.85 116.94 116.45 2k0y h PHE 35 Ca -0.47 -0.06 0.04 0.00 2.80 0.00 0.00 57.97 60.27 2k0y h PHE 35 Cb 1.21 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 39.14 2k0y h PHE 35 CO 0.59 0.63 0.13 0.93 -0.60 0.00 0.00 178.31 179.99 2k0y h GLU 36 N 0.60 0.00 0.01 1.51 5.08 -1.84 0.55 114.58 120.49 2k0y h GLU 36 Ca 0.15 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.27 2k0y h GLU 36 Cb 0.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2k0y h GLU 36 CO -0.01 0.00 -1.26 0.22 -1.00 0.00 0.00 179.01 176.96 2k0y h ASP 37 N 0.00 0.03 -0.37 1.42 1.82 -1.64 -3.29 116.42 114.40 2k0y h ASP 37 Ca 0.06 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2k0y h ASP 37 Cb 0.32 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.32 2k0y h ASP 37 CO -0.00 1.03 0.00 2.30 -1.61 0.00 0.00 179.24 180.96 2k0y n ILE 38 N -3.26 1.61 -2.41 2.25 -5.35 -0.60 -4.84 119.36 106.76 2k0y n ILE 38 Ca -0.06 -0.84 -0.06 0.00 -0.27 0.00 0.00 62.75 61.51 2k0y n ILE 38 Cb 0.98 -0.30 0.01 0.00 -1.74 0.00 0.00 39.64 38.59 2k0y n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k0y n GLY 39 N 0.47 0.30 3.20 3.28 0.00 -1.17 -5.03 105.19 106.25 2k0y n GLY 39 Ca 0.17 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 2k0y n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0y s TYR 40 N -2.64 2.92 0.34 1.61 1.51 0.08 -5.03 117.35 116.15 2k0y s TYR 40 Ca 0.07 -1.40 -0.14 0.00 -1.01 0.00 0.00 57.07 54.59 2k0y s TYR 40 Cb -0.03 -2.01 -0.08 0.00 -0.11 0.00 0.00 41.96 39.72 2k0y s TYR 40 CO 0.09 -0.70 0.75 -0.51 -1.11 0.00 0.00 175.55 174.06 2k0y s ASP 41 N 1.36 6.71 0.47 2.29 1.11 -1.26 -3.11 116.67 124.24 2k0y s ASP 41 Ca 0.04 1.25 0.19 0.00 0.18 0.00 0.00 52.55 54.21 2k0y s ASP 41 Cb -0.14 -2.36 1.20 0.00 1.07 0.00 0.00 42.92 42.68 2k0y s ASP 41 CO -0.08 -0.25 1.97 0.77 1.18 0.00 0.00 175.17 178.76 2k0y h SER 42 N 2.01 0.22 0.01 0.27 4.64 -1.95 0.20 113.55 118.94 2k0y h SER 42 Ca -0.48 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2k0y h SER 42 Cb 1.18 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2k0y h SER 42 CO 0.65 0.12 -0.00 0.25 -0.87 0.00 0.00 176.83 176.97 2k0y h LEU 43 N 0.23 -0.01 -1.02 5.97 6.46 -1.95 0.31 115.31 125.30 2k0y h LEU 43 Ca 0.29 -0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 2k0y h LEU 43 Cb 0.84 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.73 2k0y h LEU 43 CO -0.06 0.19 0.43 0.00 -0.62 0.00 0.00 178.44 178.38 2k0y h ALA 44 N 0.79 1.25 -0.32 1.25 0.00 -1.64 0.16 119.26 120.74 2k0y h ALA 44 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2k0y h ALA 44 Cb 0.20 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2k0y h ALA 44 CO 0.00 0.60 0.17 1.25 0.00 0.00 0.00 179.25 181.28 2k0y h LEU 45 N 1.12 0.41 -1.08 0.00 5.85 -0.36 -0.77 115.31 120.48 2k0y h LEU 45 Ca 0.28 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 2k0y h LEU 45 Cb 0.04 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2k0y h LEU 45 CO -0.04 0.38 0.26 0.24 -0.34 0.00 0.00 178.44 178.94 2k0y h MET 46 N 0.40 0.91 -0.42 1.25 2.86 0.31 0.15 114.93 120.39 2k0y h MET 46 Ca 0.11 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 2k0y h MET 46 Cb 0.07 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 2k0y h MET 46 CO -0.02 0.74 0.05 1.49 1.06 0.00 0.00 176.91 180.23 2k0y h GLU 47 N 0.90 0.65 0.24 1.72 4.81 -0.50 0.49 114.58 122.88 2k0y h GLU 47 Ca 0.21 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2k0y h GLU 47 Cb 0.16 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2k0y h GLU 47 CO -0.02 0.63 -0.11 1.15 -0.73 0.00 0.00 179.01 179.92 2k0y h THR 48 N 0.62 0.83 -0.91 0.32 2.02 -0.31 0.15 112.91 115.62 2k0y h THR 48 Ca 0.14 -0.53 0.08 0.00 0.77 0.00 0.00 66.41 66.86 2k0y h THR 48 Cb 0.31 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.79 2k0y h THR 48 CO 0.01 0.12 0.59 0.00 0.37 0.00 0.00 175.52 176.60 2k0y h ALA 49 N 0.07 1.54 -0.53 6.16 0.00 -0.78 -1.71 119.26 124.02 2k0y h ALA 49 Ca -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2k0y h ALA 49 Cb 0.43 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2k0y h ALA 49 CO 0.05 0.30 0.33 0.00 0.00 0.00 0.00 179.25 179.93 2k0y h ALA 50 N 1.52 0.68 -0.74 0.00 0.00 0.52 0.35 119.26 121.60 2k0y h ALA 50 Ca 0.41 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 2k0y h ALA 50 Cb 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2k0y h ALA 50 CO -0.16 0.05 0.32 0.00 0.00 0.00 0.00 179.25 179.45 2k0y h ARG 51 N 0.65 1.08 -0.56 0.00 3.08 -0.22 -0.95 114.38 117.45 2k0y h ARG 51 Ca 0.21 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 2k0y h ARG 51 Cb 0.00 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2k0y h ARG 51 CO -0.09 0.86 0.03 -0.07 -1.07 0.00 0.00 179.97 179.63 2k0y h LEU 52 N 1.06 0.95 0.21 3.04 3.38 -0.56 0.20 115.31 123.58 2k0y h LEU 52 Ca 0.25 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2k0y h LEU 52 Cb 0.16 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2k0y h LEU 52 CO -0.03 1.00 -0.30 -0.33 0.09 0.00 0.00 178.44 178.88 2k0y h GLU 53 N 0.86 -0.55 0.11 1.13 5.08 0.36 -0.51 114.58 121.06 2k0y h GLU 53 Ca 0.16 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2k0y h GLU 53 Cb 0.50 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2k0y h GLU 53 CO 0.02 -0.37 -0.05 0.77 -1.00 0.00 0.00 179.01 178.38 2k0y h SER 54 N -0.57 -0.13 -0.47 1.42 0.02 -1.08 0.16 113.55 112.90 2k0y h SER 54 Ca 0.01 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.77 2k0y h SER 54 Cb 0.56 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 2k0y h SER 54 CO -0.12 0.02 -0.02 -0.09 -1.14 0.00 0.00 176.83 175.49 2k0y h ARG 55 N -0.27 0.89 -0.29 3.45 2.43 -0.56 -3.10 114.38 116.94 2k0y h ARG 55 Ca -0.02 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2k0y h ARG 55 Cb 0.22 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2k0y h ARG 55 CO 0.03 0.90 0.00 0.66 -1.51 0.00 0.00 179.97 180.05 2k0y n TYR 56 N -4.19 0.36 -3.22 2.20 4.02 -0.20 -4.97 117.16 111.15 2k0y n TYR 56 Ca 0.03 -0.18 -0.15 0.00 -0.01 0.00 0.00 57.90 57.59 2k0y n TYR 56 Cb 0.33 -0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.72 2k0y n TYR 56 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2k0y n GLY 57 N 1.45 -0.41 3.31 2.72 0.00 -0.28 -4.99 105.19 106.99 2k0y n GLY 57 Ca 0.18 0.13 -0.17 0.00 0.00 0.00 0.00 46.02 46.16 2k0y n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k0y s VAL 58 N -3.32 0.00 0.04 1.61 0.11 -0.11 -4.88 120.40 113.84 2k0y s VAL 58 Ca 0.09 -1.92 -0.03 0.00 -2.93 0.00 0.00 61.98 57.19 2k0y s VAL 58 Cb -0.01 -2.52 -0.02 0.00 -1.53 0.00 0.00 36.38 32.30 2k0y s VAL 58 CO 0.65 0.00 0.02 -0.55 -3.33 0.00 0.00 175.10 171.89 2k0y s SER 59 N -3.31 0.30 -0.05 3.54 0.15 -1.26 -4.35 113.70 108.72 2k0y s SER 59 Ca 0.38 -0.70 -0.00 0.00 0.70 0.00 0.00 55.95 56.34 2k0y s SER 59 Cb 0.03 0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.55 2k0y s SER 59 CO 0.24 -0.49 -0.02 -0.63 1.20 0.00 0.00 173.24 173.53 2k0y s ILE 60 N -2.82 0.42 0.09 6.45 1.01 -1.26 -4.98 121.20 120.10 2k0y s ILE 60 Ca -0.03 0.01 -0.32 0.00 0.00 0.00 0.00 60.65 60.30 2k0y s ILE 60 Cb 0.00 -0.51 -0.11 0.00 0.01 0.00 0.00 42.46 41.85 2k0y s ILE 60 CO -0.06 0.23 1.81 -0.81 0.00 0.00 0.00 174.94 176.11 2k0y n PRO 61 N 4.50 2.58 -0.14 2.79 -0.04 -1.26 -4.89 135.00 138.55 2k0y n PRO 61 Ca -0.18 0.94 -0.03 0.00 -0.04 0.00 0.00 63.50 64.19 2k0y n PRO 61 Cb 0.50 -2.81 0.05 0.00 -0.04 0.00 0.00 33.50 31.20 2k0y n PRO 61 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2k0y h ASP 62 N 8.34 -0.13 0.14 3.54 5.19 -1.99 0.11 116.42 131.60 2k0y h ASP 62 Ca -0.47 0.10 -0.15 0.00 -0.62 0.00 0.00 57.03 55.89 2k0y h ASP 62 Cb 1.24 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.90 2k0y h ASP 62 CO 0.94 -0.03 -0.54 -0.78 -3.12 0.00 0.00 179.24 175.71 2k0y h ASP 63 N 0.14 0.47 0.13 6.45 1.82 -1.98 -2.82 116.42 120.63 2k0y h ASP 63 Ca 0.23 -0.25 -0.16 0.00 -0.39 0.00 0.00 57.03 56.46 2k0y h ASP 63 Cb 0.32 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 2k0y h ASP 63 CO -0.35 0.92 -0.56 0.58 -1.61 0.00 0.00 179.24 178.21 2k0y h VAL 64 N 0.33 1.34 -0.03 2.25 2.07 -1.78 -1.14 116.25 119.29 2k0y h VAL 64 Ca 0.01 -1.84 0.01 0.00 0.82 0.00 0.00 66.70 65.69 2k0y h VAL 64 Cb 1.05 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2k0y h VAL 64 CO 0.09 0.56 0.04 0.00 0.02 0.00 0.00 177.57 178.29 2k0y h ALA 65 N 1.04 1.51 -0.15 1.67 0.00 -0.57 0.10 119.26 122.86 2k0y h ALA 65 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k0y h ALA 65 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2k0y h ALA 65 CO 0.10 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.71 2k0y n GLY 66 N -1.31 1.21 0.03 0.00 0.00 -0.48 -4.21 105.19 100.43 2k0y n GLY 66 Ca -0.02 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.41 2k0y n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k0y n ARG 67 N 1.38 0.49 -2.42 1.61 5.12 0.00 -4.84 116.66 118.00 2k0y n ARG 67 Ca 0.16 -0.08 -0.43 0.00 -1.93 0.00 0.00 57.85 55.56 2k0y n ARG 67 Cb 0.59 -1.58 -0.02 0.00 -1.16 0.00 0.00 32.46 30.29 2k0y n ARG 67 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2k0y s VAL 68 N -3.36 3.98 -0.10 1.55 -7.23 -1.11 -4.81 120.40 109.33 2k0y s VAL 68 Ca -0.02 1.00 0.13 0.00 -1.81 0.00 0.00 61.98 61.27 2k0y s VAL 68 Cb 0.14 -4.32 -0.24 0.00 0.56 0.00 0.00 36.38 32.52 2k0y s VAL 68 CO 0.86 -0.84 0.44 -0.67 -0.31 0.00 0.00 175.10 174.59 2k0y n ASP 69 N 8.57 0.71 -4.31 4.85 2.03 -1.26 -4.87 116.55 122.27 2k0y n ASP 69 Ca 0.15 0.27 -0.32 0.00 0.52 0.00 0.00 54.79 55.41 2k0y n ASP 69 Cb 0.48 0.20 -0.16 0.00 -0.72 0.00 0.00 41.12 40.93 2k0y n ASP 69 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2k0y s THR 70 N -2.56 2.27 0.52 5.18 -4.23 -1.26 -3.11 115.64 112.45 2k0y s THR 70 Ca -0.08 -1.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.74 2k0y s THR 70 Cb 0.07 -1.84 0.48 0.00 1.34 0.00 0.00 72.50 72.56 2k0y s THR 70 CO 0.82 0.57 1.87 -0.65 -0.54 0.00 0.00 174.62 176.69 2k0y h PRO 71 N 5.96 0.05 -0.72 3.99 0.11 -1.73 -0.61 132.00 139.06 2k0y h PRO 71 Ca -0.34 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.90 2k0y h PRO 71 Cb 1.17 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.18 2k0y h PRO 71 CO 0.48 0.03 0.27 0.07 -0.21 0.00 0.00 178.00 178.64 2k0y h ARG 72 N 0.05 0.40 -0.23 1.05 0.11 -1.86 0.32 114.38 114.22 2k0y h ARG 72 Ca 0.46 -0.02 -0.06 0.00 0.10 0.00 0.00 59.98 60.46 2k0y h ARG 72 Cb 1.74 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 32.72 2k0y h ARG 72 CO -0.03 0.26 -0.08 0.93 0.10 0.00 0.00 179.97 181.15 2k0y h GLU 73 N 0.41 0.46 -0.34 0.08 5.08 -1.43 -1.54 114.58 117.30 2k0y h GLU 73 Ca 0.39 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2k0y h GLU 73 Cb 0.58 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2k0y h GLU 73 CO -0.40 0.72 -0.03 1.25 -1.00 0.00 0.00 179.01 179.55 2k0y h LEU 74 N 0.19 0.62 0.09 1.33 7.12 -1.35 -0.43 115.31 122.88 2k0y h LEU 74 Ca 0.05 -0.33 0.01 0.00 0.13 0.00 0.00 57.88 57.75 2k0y h LEU 74 Cb 0.56 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.50 2k0y h LEU 74 CO 0.03 0.80 -0.16 0.25 -0.13 0.00 0.00 178.44 179.23 2k0y h LEU 75 N 0.43 -0.44 -0.65 2.25 5.85 -0.37 -1.69 115.31 120.69 2k0y h LEU 75 Ca 0.09 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.95 2k0y h LEU 75 Cb 0.50 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 2k0y h LEU 75 CO 0.02 -0.23 0.31 -0.78 -0.34 0.00 0.00 178.44 177.42 2k0y h ASP 76 N -0.31 0.41 0.18 1.25 3.58 -1.05 0.40 116.42 120.88 2k0y h ASP 76 Ca 0.03 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 2k0y h ASP 76 Cb 0.33 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 2k0y h ASP 76 CO -0.09 0.25 -0.11 0.25 -2.88 0.00 0.00 179.24 176.66 2k0y h LEU 77 N 0.56 -0.26 -0.46 2.28 5.85 -0.82 -0.49 115.31 121.96 2k0y h LEU 77 Ca 0.31 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.90 2k0y h LEU 77 Cb 0.30 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2k0y h LEU 77 CO -0.24 -0.17 -0.35 0.40 -0.34 0.00 0.00 178.44 177.73 2k0y h ILE 78 N -0.27 1.27 -0.50 4.05 2.04 -0.76 -2.73 117.51 120.62 2k0y h ILE 78 Ca -0.02 -1.53 0.06 0.00 1.00 0.00 0.00 64.86 64.38 2k0y h ILE 78 Cb 0.23 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 2k0y h ILE 78 CO 0.02 0.51 0.21 0.78 0.00 0.00 0.00 178.15 179.66 2k0y h ASN 79 N 0.74 0.25 -0.64 1.72 -0.26 0.02 0.39 115.58 117.80 2k0y h ASN 79 Ca 0.07 0.05 0.02 0.00 -0.56 0.00 0.00 56.30 55.88 2k0y h ASN 79 Cb 0.93 0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 38.17 2k0y h ASN 79 CO 0.09 0.17 0.40 1.23 -1.06 0.00 0.00 177.43 178.26 2k0y h GLY 80 N 0.40 0.91 1.30 2.83 0.00 -0.95 -0.46 103.07 107.10 2k0y h GLY 80 Ca 0.23 -0.31 -0.17 0.00 0.00 0.00 0.00 47.33 47.09 2k0y h GLY 80 CO -0.21 0.27 -0.50 0.00 0.00 0.00 0.00 176.54 176.10 2k0y h ALA 81 N 1.27 0.61 -0.31 3.60 0.00 -1.05 -2.82 119.26 120.56 2k0y h ALA 81 Ca 0.25 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2k0y h ALA 81 Cb -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2k0y h ALA 81 CO -0.09 0.68 -0.18 -0.07 0.00 0.00 0.00 179.25 179.59 2k0y h LEU 82 N 0.58 0.55 -0.59 0.00 3.38 0.13 0.26 115.31 119.62 2k0y h LEU 82 Ca 0.02 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2k0y h LEU 82 Cb 1.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2k0y h LEU 82 CO 0.11 0.74 0.14 0.00 0.09 0.00 0.00 178.44 179.51 2k0y h ALA 83 N 1.31 0.78 0.09 1.53 0.00 -0.98 -3.32 119.26 118.67 2k0y h ALA 83 Ca 0.08 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 2k0y h ALA 83 Cb 0.59 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2k0y h ALA 83 CO 0.04 0.49 -0.97 1.05 0.00 0.00 0.00 179.25 179.86 2k0y h GLU 84 N 0.86 0.19 -3.67 0.00 4.11 -1.25 -3.39 114.58 111.43 2k0y h GLU 84 Ca 0.19 -0.32 -0.73 0.00 0.07 0.00 0.00 59.36 58.57 2k0y h GLU 84 Cb 0.36 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.63 2k0y h GLU 84 CO 0.00 1.15 2.60 0.00 0.07 0.00 0.00 179.01 182.83 2k0y n ALA 85 N -2.88 5.58 -1.71 1.06 0.00 0.90 -5.11 120.51 118.35 2k0y n ALA 85 Ca -0.20 -4.09 0.00 0.00 0.00 0.00 0.00 53.44 49.15 2k0y n ALA 85 Cb 0.78 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.99 2k0y n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50