#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 0.68 -3.79 3.04 0.00 -2.05 -3.41 119.26 113.72 2k0y h ALA 2 Ca 0.00 -0.41 -0.67 0.00 0.00 0.00 0.00 54.91 53.83 2k0y h ALA 2 Cb 0.00 0.06 -0.38 0.00 0.00 0.00 0.00 17.79 17.48 2k0y h ALA 2 CO 0.00 0.48 -0.77 0.99 0.00 0.00 0.00 179.25 179.96 2k0y s THR 3 N -3.08 2.24 0.16 0.00 2.01 -1.26 -5.07 115.64 110.65 2k0y s THR 3 Ca 0.01 -1.88 0.00 0.00 0.31 0.00 0.00 61.69 60.13 2k0y s THR 3 Cb 0.08 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 70.14 2k0y s THR 3 CO 0.76 -0.24 0.00 0.18 -0.69 0.00 0.00 174.62 174.64 2k0y n LEU 4 N 4.37 0.00 -4.41 4.42 4.32 -1.26 -4.85 117.00 119.59 2k0y n LEU 4 Ca -0.08 0.73 -0.33 0.00 -0.02 0.00 0.00 56.01 56.32 2k0y n LEU 4 Cb 0.42 -2.06 -0.14 0.00 -1.62 0.00 0.00 43.42 40.02 2k0y n LEU 4 CO 0.22 -1.92 -0.44 -0.76 -1.22 0.00 0.00 177.39 173.26 2k0y s LEU 5 N 0.00 2.75 0.00 2.23 1.43 -1.26 -0.79 118.68 123.04 2k0y s LEU 5 Ca 0.00 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 52.87 2k0y s LEU 5 Cb 0.00 -1.60 0.05 0.00 0.03 0.00 0.00 46.19 44.67 2k0y s LEU 5 CO 0.00 0.22 0.40 0.35 0.23 0.00 0.00 176.35 177.55 2k0y n THR 6 N 3.17 0.00 -0.16 5.49 -2.24 -1.26 -4.90 114.28 114.38 2k0y n THR 6 Ca -0.18 -0.95 -0.05 0.00 -2.27 0.00 0.00 64.05 60.60 2k0y n THR 6 Cb 0.53 -0.77 0.04 0.00 -2.10 0.00 0.00 70.33 68.03 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 0.03 0.98 -0.72 4.28 2.02 -1.99 -0.52 112.91 117.00 2k0y h THR 7 Ca -0.13 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 2k0y h THR 7 Cb 0.62 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 2k0y h THR 7 CO 0.19 0.09 0.41 -0.78 0.37 0.00 0.00 175.52 175.81 2k0y h ASP 8 N 0.51 0.87 -0.53 4.18 3.58 -1.95 -2.07 116.42 121.01 2k0y h ASP 8 Ca 0.21 -0.08 -0.10 0.00 0.42 0.00 0.00 57.03 57.48 2k0y h ASP 8 Cb 0.09 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 2k0y h ASP 8 CO -0.13 0.70 -0.06 0.44 -2.88 0.00 0.00 179.24 177.30 2k0y h ASP 9 N 0.98 0.98 -0.62 2.28 3.32 -1.83 -2.63 116.42 118.90 2k0y h ASP 9 Ca 0.25 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 2k0y h ASP 9 Cb -0.00 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 2k0y h ASP 9 CO -0.04 1.08 0.18 0.25 -1.72 0.00 0.00 179.24 178.99 2k0y h LEU 10 N 0.86 0.93 0.16 1.55 5.85 -0.77 -0.88 115.31 123.01 2k0y h LEU 10 Ca 0.14 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.71 2k0y h LEU 10 Cb 0.62 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2k0y h LEU 10 CO 0.04 0.88 -0.25 -0.09 -0.34 0.00 0.00 178.44 178.68 2k0y h ARG 11 N 0.96 -0.46 -0.61 1.25 2.43 -1.21 -2.74 114.38 114.00 2k0y h ARG 11 Ca 0.21 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.48 2k0y h ARG 11 Cb 0.30 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 2k0y h ARG 11 CO -0.01 -0.31 0.40 -0.09 -1.51 0.00 0.00 179.97 178.46 2k0y h ARG 12 N -0.48 0.54 -0.00 0.20 9.65 -0.98 -1.33 114.38 121.98 2k0y h ARG 12 Ca 0.02 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2k0y h ARG 12 Cb 0.48 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.94 2k0y h ARG 12 CO -0.11 0.36 0.00 0.00 2.80 0.00 0.00 179.97 183.02 2k0y h ALA 13 N 1.67 0.00 0.00 2.80 0.00 -0.91 -0.30 119.26 122.53 2k0y h ALA 13 Ca 0.27 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2k0y h ALA 13 Cb 0.33 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2k0y h ALA 13 CO -0.08 -0.48 -0.15 -0.07 0.00 0.00 0.00 179.25 178.47 2k0y h LEU 14 N -0.02 0.00 -0.19 0.00 4.07 -1.07 -2.14 115.31 115.96 2k0y h LEU 14 Ca 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.91 2k0y h LEU 14 Cb 0.02 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 2k0y h LEU 14 CO -0.00 0.15 -0.10 0.58 -1.08 0.00 0.00 178.44 177.99 2k0y h VAL 15 N 0.00 1.31 -0.42 1.22 2.07 -0.51 -2.53 116.25 117.39 2k0y h VAL 15 Ca -0.00 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 2k0y h VAL 15 Cb 0.47 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 2k0y h VAL 15 CO 0.02 0.35 0.19 -0.33 0.02 0.00 0.00 177.57 177.82 2k0y h GLU 16 N 0.09 0.62 -0.02 1.57 4.39 -0.48 0.24 114.58 120.99 2k0y h GLU 16 Ca 0.04 -0.10 -0.12 0.00 0.34 0.00 0.00 59.36 59.52 2k0y h GLU 16 Cb 0.59 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2k0y h GLU 16 CO 0.03 0.55 -0.57 0.66 -1.16 0.00 0.00 179.01 178.51 2k0y h SER 17 N 0.54 0.06 0.11 1.42 4.64 -1.48 -3.26 113.55 115.58 2k0y h SER 17 Ca 0.14 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 2k0y h SER 17 Cb 0.14 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2k0y h SER 17 CO -0.02 0.62 -0.05 0.00 -0.87 0.00 0.00 176.83 176.51 2k0y h ALA 18 N 1.38 -0.15 0.00 5.18 0.00 -1.25 -3.50 119.26 120.92 2k0y h ALA 18 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k0y h ALA 18 Cb 1.03 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2k0y h ALA 18 CO 0.08 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.58 2k0y n GLY 19 N 1.23 0.87 0.99 0.00 0.00 0.83 -4.33 105.19 104.79 2k0y n GLY 19 Ca -0.05 -1.39 0.06 0.00 0.00 0.00 0.00 46.02 44.65 2k0y n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k0y n GLU 20 N 0.00 2.47 -0.50 1.61 4.71 -1.26 -4.16 120.64 123.51 2k0y n GLU 20 Ca 0.00 -1.69 -0.07 0.00 -0.01 0.00 0.00 57.16 55.39 2k0y n GLU 20 Cb 0.00 -1.55 0.10 0.00 -1.01 0.00 0.00 31.44 28.98 2k0y n GLU 20 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2k0y n THR 21 N 0.65 1.77 0.00 2.62 -2.24 -1.26 -4.91 114.28 110.91 2k0y n THR 21 Ca 0.15 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2k0y n THR 21 Cb 0.52 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 -0.09 0.00 0.00 3.42 8.00 -1.26 -4.38 116.55 122.23 2k0y n ASP 22 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.73 2k0y n ASP 22 Cb 0.93 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 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 0.00 0.48 7.00 0.44 0.00 -1.26 -4.89 105.19 106.96 2k0y n GLY 23 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.98 0.00 -2.75 2.61 -2.24 -1.26 -4.42 114.28 103.24 2k0y n THR 24 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2k0y n THR 24 Cb 0.06 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 2k0y n THR 24 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2k0y s ASP 25 N -4.00 6.37 -0.13 3.42 -4.77 -1.26 -4.83 116.67 111.48 2k0y s ASP 25 Ca 0.00 -0.20 0.17 0.00 -3.30 0.00 0.00 52.55 49.21 2k0y s ASP 25 Cb 0.00 -2.48 0.33 0.00 -1.09 0.00 0.00 42.92 39.68 2k0y s ASP 25 CO 0.00 -1.32 1.21 -0.11 0.70 0.00 0.00 175.17 175.65 2k0y n LEU 26 N 7.82 2.75 -4.77 2.11 7.94 -1.26 -5.03 117.00 126.57 2k0y n LEU 26 Ca 0.04 -2.94 -0.38 0.00 -1.11 0.00 0.00 56.01 51.61 2k0y n LEU 26 Cb 0.48 -0.42 -0.02 0.00 0.53 0.00 0.00 43.42 43.99 2k0y n LEU 26 CO 0.66 0.68 0.85 -0.44 -1.11 0.00 0.00 177.39 178.04 2k0y s SER 27 N -2.41 6.51 0.00 1.96 0.01 -1.26 -4.77 113.70 113.74 2k0y s SER 27 Ca 0.32 2.37 0.00 0.00 1.31 0.00 0.00 55.95 59.95 2k0y s SER 27 Cb 0.27 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2k0y s SER 27 CO 0.05 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2k0y n GLY 28 N 0.64 -1.12 3.75 3.44 0.00 -1.26 -4.76 105.19 105.88 2k0y n GLY 28 Ca 0.04 -1.34 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 2k0y n GLY 28 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k0y s ASP 29 N -4.00 7.15 -0.09 1.61 -4.77 -1.26 -4.86 116.67 110.45 2k0y s ASP 29 Ca 0.00 1.38 0.13 0.00 -3.30 0.00 0.00 52.55 50.76 2k0y s ASP 29 Cb 0.00 -2.44 0.20 0.00 -1.09 0.00 0.00 42.92 39.59 2k0y s ASP 29 CO 0.00 0.04 1.10 2.22 0.70 0.00 0.00 175.17 179.24 2k0y n PHE 30 N 2.75 0.00 -0.08 2.11 -1.74 -1.26 -4.83 117.46 114.41 2k0y n PHE 30 Ca -0.04 -0.69 0.20 0.00 -0.56 0.00 0.00 57.45 56.36 2k0y n PHE 30 Cb 0.50 -0.12 0.64 0.00 1.52 0.00 0.00 39.48 42.02 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 0.03 0.12 -0.51 5.98 3.38 -1.92 0.66 115.31 123.05 2k0y h LEU 31 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k0y h LEU 31 Cb 1.13 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2k0y h LEU 31 CO 0.00 0.06 -0.52 -0.90 0.09 0.00 0.00 178.44 177.17 2k0y n ASP 32 N -4.39 1.31 -4.58 -0.43 5.75 -1.26 -2.79 116.55 110.15 2k0y n ASP 32 Ca 0.13 -1.05 -0.43 0.00 -0.01 0.00 0.00 54.79 53.43 2k0y n ASP 32 Cb 0.65 0.45 -0.03 0.00 -1.03 0.00 0.00 41.12 41.16 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 -2.66 3.79 0.58 -2.12 1.43 0.22 -4.99 118.68 114.93 2k0y s LEU 33 Ca 0.17 0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.41 2k0y s LEU 33 Cb 0.18 -3.39 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 2k0y s LEU 33 CO 0.63 -1.17 1.09 -0.13 0.23 0.00 0.00 176.35 177.00 2k0y s ARG 34 N 4.17 3.28 0.11 1.70 0.52 -1.26 -4.36 118.95 123.11 2k0y s ARG 34 Ca 0.43 1.38 -0.18 0.00 -0.52 0.00 0.00 55.73 56.84 2k0y s ARG 34 Cb -0.08 -2.02 -0.05 0.00 0.52 0.00 0.00 34.95 33.32 2k0y s ARG 34 CO 0.30 -0.87 1.68 0.74 0.02 0.00 0.00 175.30 177.17 2k0y h PHE 35 N 0.72 0.40 -0.07 -0.53 0.04 -1.73 -1.32 116.94 114.45 2k0y h PHE 35 Ca -0.48 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.29 2k0y h PHE 35 Cb 1.24 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 39.26 2k0y h PHE 35 CO 0.55 0.38 0.12 0.93 -0.60 0.00 0.00 178.31 179.69 2k0y h GLU 36 N 0.31 0.00 0.00 1.51 5.08 -1.75 0.22 114.58 119.95 2k0y h GLU 36 Ca 0.09 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.25 2k0y h GLU 36 Cb 0.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2k0y h GLU 36 CO -0.01 0.00 -1.10 0.22 -1.00 0.00 0.00 179.01 177.11 2k0y h ASP 37 N 0.00 0.00 -0.60 1.42 3.58 -1.55 -3.27 116.42 116.00 2k0y h ASP 37 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2k0y h ASP 37 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2k0y h ASP 37 CO -0.00 0.87 0.00 2.30 -2.88 0.00 0.00 179.24 179.53 2k0y n ILE 38 N -3.22 1.38 -1.98 2.25 -5.35 -0.45 -4.89 119.36 107.10 2k0y n ILE 38 Ca -0.04 -0.98 0.00 0.00 -0.27 0.00 0.00 62.75 61.46 2k0y n ILE 38 Cb 0.92 0.18 0.00 0.00 -1.74 0.00 0.00 39.64 39.00 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 1.20 0.58 3.12 3.28 0.00 -1.03 -4.72 105.19 107.61 2k0y n GLY 39 Ca 0.22 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.20 3.45 0.53 1.61 1.51 0.66 -4.99 117.35 117.92 2k0y s TYR 40 Ca 0.00 -2.29 -0.10 0.00 -1.01 0.00 0.00 57.07 53.68 2k0y s TYR 40 Cb 0.00 -2.53 -0.05 0.00 -0.11 0.00 0.00 41.96 39.27 2k0y s TYR 40 CO 0.00 -0.89 0.91 -0.51 -1.11 0.00 0.00 175.55 173.95 2k0y s ASP 41 N 1.32 6.33 0.51 2.29 1.01 -1.26 -2.44 116.67 124.42 2k0y s ASP 41 Ca 0.01 1.23 0.27 0.00 0.71 0.00 0.00 52.55 54.77 2k0y s ASP 41 Cb -0.20 -2.38 1.37 0.00 1.01 0.00 0.00 42.92 42.72 2k0y s ASP 41 CO -0.04 -0.67 1.91 0.77 0.21 0.00 0.00 175.17 177.35 2k0y h SER 42 N 0.23 0.09 0.11 0.27 4.64 -1.91 0.21 113.55 117.19 2k0y h SER 42 Ca -0.46 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 2k0y h SER 42 Cb 1.19 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2k0y h SER 42 CO 0.62 0.04 -0.05 0.25 -0.87 0.00 0.00 176.83 176.82 2k0y h LEU 43 N 0.09 -0.12 -1.12 5.97 5.85 -1.94 0.12 115.31 124.16 2k0y h LEU 43 Ca 0.39 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 2k0y h LEU 43 Cb 1.42 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 2k0y h LEU 43 CO -0.04 0.10 0.29 0.00 -0.34 0.00 0.00 178.44 178.45 2k0y h ALA 44 N 0.52 1.31 -0.41 1.25 0.00 -1.65 -1.85 119.26 118.43 2k0y h ALA 44 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2k0y h ALA 44 Cb 0.29 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2k0y h ALA 44 CO 0.02 0.53 0.21 1.25 0.00 0.00 0.00 179.25 181.27 2k0y h LEU 45 N 0.91 0.52 -0.89 0.00 5.85 -0.68 -0.94 115.31 120.06 2k0y h LEU 45 Ca 0.22 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2k0y h LEU 45 Cb 0.12 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2k0y h LEU 45 CO -0.03 0.47 0.33 0.24 -0.34 0.00 0.00 178.44 179.12 2k0y h MET 46 N 0.52 1.14 -0.66 1.25 2.86 -0.32 0.75 114.93 120.47 2k0y h MET 46 Ca 0.14 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2k0y h MET 46 Cb 0.08 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 2k0y h MET 46 CO -0.02 0.90 0.29 1.49 1.06 0.00 0.00 176.91 180.63 2k0y h GLU 47 N 1.12 0.94 0.47 1.72 4.22 -0.89 0.50 114.58 122.66 2k0y h GLU 47 Ca 0.26 -0.14 -0.02 0.00 0.08 0.00 0.00 59.36 59.54 2k0y h GLU 47 Cb 0.17 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2k0y h GLU 47 CO -0.03 0.75 -0.22 1.15 -2.18 0.00 0.00 179.01 178.48 2k0y h THR 48 N 0.94 0.31 -0.46 0.32 2.02 -0.59 -2.92 112.91 112.52 2k0y h THR 48 Ca 0.23 -0.53 0.08 0.00 0.77 0.00 0.00 66.41 66.96 2k0y h THR 48 Cb 0.14 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 2k0y h THR 48 CO -0.02 0.06 0.32 0.00 0.37 0.00 0.00 175.52 176.24 2k0y h ALA 49 N -0.79 2.07 -0.86 6.16 0.00 -0.65 -1.38 119.26 123.81 2k0y h ALA 49 Ca -0.06 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2k0y h ALA 49 Cb 0.58 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2k0y h ALA 49 CO 0.11 -0.17 0.55 0.00 0.00 0.00 0.00 179.25 179.73 2k0y h ALA 50 N 1.76 1.16 -0.59 0.00 0.00 0.15 0.28 119.26 122.02 2k0y h ALA 50 Ca 0.21 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 2k0y h ALA 50 Cb 0.47 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2k0y h ALA 50 CO -0.04 0.35 -0.04 0.00 0.00 0.00 0.00 179.25 179.52 2k0y h ARG 51 N 1.04 1.06 -0.66 0.00 3.08 -1.07 -1.08 114.38 116.75 2k0y h ARG 51 Ca 0.36 -0.36 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2k0y h ARG 51 Cb 0.07 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2k0y h ARG 51 CO -0.14 1.06 0.14 -0.07 -1.07 0.00 0.00 179.97 179.89 2k0y h LEU 52 N 0.96 1.03 0.25 3.04 3.38 -1.01 0.23 115.31 123.19 2k0y h LEU 52 Ca 0.16 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2k0y h LEU 52 Cb 0.60 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2k0y h LEU 52 CO 0.04 1.01 -0.29 -0.33 0.09 0.00 0.00 178.44 178.95 2k0y h GLU 53 N 1.00 -0.57 -0.46 1.13 5.08 -0.18 -1.12 114.58 119.46 2k0y h GLU 53 Ca 0.20 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 2k0y h GLU 53 Cb 0.40 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2k0y h GLU 53 CO 0.01 -0.38 0.19 1.03 -1.00 0.00 0.00 179.01 178.85 2k0y h SER 54 N -0.59 0.62 -0.03 1.42 0.87 -0.89 0.29 113.55 115.25 2k0y h SER 54 Ca -0.00 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2k0y h SER 54 Cb 0.56 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2k0y h SER 54 CO -0.08 0.62 0.01 -0.09 -0.53 0.00 0.00 176.83 176.75 2k0y h ARG 55 N 0.59 0.05 -0.01 2.24 2.43 -0.46 -3.28 114.38 115.94 2k0y h ARG 55 Ca 0.15 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2k0y h ARG 55 Cb 0.19 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2k0y h ARG 55 CO -0.01 0.24 -0.47 0.66 -1.51 0.00 0.00 179.97 178.87 2k0y n TYR 56 N -4.96 0.00 -2.26 2.20 4.02 -0.43 -4.96 117.16 110.76 2k0y n TYR 56 Ca -0.07 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.78 2k0y n TYR 56 Cb 0.13 -0.10 0.02 0.00 -0.02 0.00 0.00 39.34 39.37 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 1.42 0.26 3.29 2.72 0.00 -0.01 -5.06 105.19 107.81 2k0y n GLY 57 Ca 0.09 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.10 0.07 -0.00 1.61 0.11 -0.59 -4.96 120.40 113.53 2k0y s VAL 58 Ca 0.04 -2.00 -0.02 0.00 -2.93 0.00 0.00 61.98 57.06 2k0y s VAL 58 Cb -0.00 -2.49 -0.00 0.00 -1.53 0.00 0.00 36.38 32.35 2k0y s VAL 58 CO 0.20 0.00 0.05 -0.55 -3.33 0.00 0.00 175.10 171.46 2k0y s SER 59 N -3.35 0.05 -0.19 3.54 0.15 -1.26 -4.38 113.70 108.26 2k0y s SER 59 Ca 0.39 -0.14 -0.02 0.00 0.70 0.00 0.00 55.95 56.88 2k0y s SER 59 Cb 0.04 0.13 0.06 0.00 -1.71 0.00 0.00 66.02 64.53 2k0y s SER 59 CO 0.23 -0.18 0.00 -0.63 1.20 0.00 0.00 173.24 173.86 2k0y s ILE 60 N -0.71 0.81 0.17 6.45 1.01 -1.26 -5.02 121.20 122.65 2k0y s ILE 60 Ca -0.08 -0.67 -0.32 0.00 0.00 0.00 0.00 60.65 59.59 2k0y s ILE 60 Cb -0.05 -1.20 -0.11 0.00 0.01 0.00 0.00 42.46 41.11 2k0y s ILE 60 CO 0.00 -0.11 1.68 -2.84 0.00 0.00 0.00 174.94 173.67 2k0y s PRO 61 N 1.74 4.16 0.53 2.79 0.02 -1.26 -4.83 135.00 138.14 2k0y s PRO 61 Ca -0.01 2.50 0.25 0.00 0.02 0.00 0.00 61.00 63.75 2k0y s PRO 61 Cb -0.17 -3.21 1.38 0.00 0.02 0.00 0.00 34.50 32.52 2k0y s PRO 61 CO -0.07 -0.71 2.01 0.38 -0.33 0.00 0.00 177.00 178.27 2k0y h ASP 62 N 7.16 0.01 -0.10 2.53 2.03 -1.99 0.13 116.42 126.19 2k0y h ASP 62 Ca -0.43 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.75 2k0y h ASP 62 Cb 1.20 -0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.69 2k0y h ASP 62 CO 0.94 0.00 -0.31 -0.78 -1.03 0.00 0.00 179.24 178.06 2k0y h ASP 63 N 0.01 0.60 0.01 4.15 1.82 -1.98 0.60 116.42 121.62 2k0y h ASP 63 Ca 0.24 -0.23 -0.07 0.00 -0.39 0.00 0.00 57.03 56.58 2k0y h ASP 63 Cb 0.94 -0.16 0.01 0.00 0.68 0.00 0.00 39.33 40.79 2k0y h ASP 63 CO -0.00 0.87 -0.27 0.58 -1.61 0.00 0.00 179.24 178.81 2k0y h VAL 64 N 0.50 1.58 -0.27 2.25 2.07 -1.38 -3.28 116.25 117.73 2k0y h VAL 64 Ca 0.06 -2.07 0.08 0.00 0.82 0.00 0.00 66.70 65.59 2k0y h VAL 64 Cb 0.78 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.46 2k0y h VAL 64 CO 0.06 0.56 0.20 0.00 0.02 0.00 0.00 177.57 178.42 2k0y h ALA 65 N 0.20 2.19 -0.01 1.67 0.00 -0.67 0.55 119.26 123.20 2k0y h ALA 65 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k0y h ALA 65 Cb 1.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2k0y h ALA 65 CO 0.05 -0.34 -0.07 0.41 0.00 0.00 0.00 179.25 179.30 2k0y n GLY 66 N -1.56 -0.67 0.05 0.00 0.00 0.19 -3.71 105.19 99.48 2k0y n GLY 66 Ca 0.03 -0.31 0.01 0.00 0.00 0.00 0.00 46.02 45.76 2k0y n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k0y n ARG 67 N -0.64 0.68 -2.34 1.61 0.63 0.17 -4.90 116.66 111.87 2k0y n ARG 67 Ca 0.17 -0.11 -0.43 0.00 -0.92 0.00 0.00 57.85 56.57 2k0y n ARG 67 Cb 0.27 -1.52 -0.02 0.00 0.45 0.00 0.00 32.46 31.64 2k0y n ARG 67 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2k0y s VAL 68 N -3.03 4.14 -0.20 5.15 -7.23 -1.13 -4.89 120.40 113.20 2k0y s VAL 68 Ca -0.09 1.38 -0.17 0.00 -1.81 0.00 0.00 61.98 61.30 2k0y s VAL 68 Cb 0.10 -3.89 -0.20 0.00 0.56 0.00 0.00 36.38 32.95 2k0y s VAL 68 CO 0.87 -0.11 0.16 -0.67 -0.31 0.00 0.00 175.10 175.03 2k0y n ASP 69 N 6.60 1.93 -4.67 4.85 2.03 -1.26 -4.88 116.55 121.15 2k0y n ASP 69 Ca 0.14 0.35 -0.33 0.00 0.52 0.00 0.00 54.79 55.47 2k0y n ASP 69 Cb 0.44 -0.91 -0.09 0.00 -0.72 0.00 0.00 41.12 39.85 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 -2.43 4.15 0.50 5.18 -4.23 -1.26 -2.37 115.64 115.19 2k0y s THR 70 Ca -0.29 -0.51 0.24 0.00 -1.18 0.00 0.00 61.69 59.95 2k0y s THR 70 Cb 0.07 -2.81 0.40 0.00 1.34 0.00 0.00 72.50 71.50 2k0y s THR 70 CO 0.62 0.45 1.95 -0.65 -0.54 0.00 0.00 174.62 176.45 2k0y h PRO 71 N 4.61 0.11 -0.24 3.99 0.11 -1.74 -1.23 132.00 137.63 2k0y h PRO 71 Ca -0.49 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.67 2k0y h PRO 71 Cb 1.18 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 2k0y h PRO 71 CO 0.56 0.07 -0.25 -0.09 -0.21 0.00 0.00 178.00 178.09 2k0y h ARG 72 N 0.12 -0.25 -0.56 1.05 2.43 -1.83 0.46 114.38 115.79 2k0y h ARG 72 Ca 0.33 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.40 2k0y h ARG 72 Cb 1.12 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 2k0y h ARG 72 CO -0.04 -0.17 -0.07 0.93 -1.51 0.00 0.00 179.97 179.11 2k0y h GLU 73 N -0.26 1.04 -0.25 0.20 4.39 -1.55 -2.28 114.58 115.87 2k0y h GLU 73 Ca 0.13 -0.37 -0.07 0.00 0.34 0.00 0.00 59.36 59.40 2k0y h GLU 73 Cb 0.47 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2k0y h GLU 73 CO -0.39 1.06 -0.11 1.25 -1.16 0.00 0.00 179.01 179.66 2k0y h LEU 74 N 0.93 0.53 -0.15 1.33 7.12 -1.02 0.64 115.31 124.70 2k0y h LEU 74 Ca 0.15 -0.40 0.03 0.00 0.13 0.00 0.00 57.88 57.79 2k0y h LEU 74 Cb 0.64 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.59 2k0y h LEU 74 CO 0.04 0.82 -0.04 0.25 -0.13 0.00 0.00 178.44 179.38 2k0y h LEU 75 N 0.25 -0.15 -0.98 2.25 5.85 -0.06 -1.00 115.31 121.48 2k0y h LEU 75 Ca 0.06 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 2k0y h LEU 75 Cb 0.61 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 2k0y h LEU 75 CO 0.03 -0.05 0.18 -0.78 -0.34 0.00 0.00 178.44 177.48 2k0y h ASP 76 N -0.01 0.85 0.13 1.25 3.58 -1.32 0.19 116.42 121.10 2k0y h ASP 76 Ca 0.07 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2k0y h ASP 76 Cb 0.12 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2k0y h ASP 76 CO -0.15 0.81 -0.13 0.25 -2.88 0.00 0.00 179.24 177.13 2k0y h LEU 77 N 0.89 -0.35 0.05 2.28 6.46 -0.31 0.16 115.31 124.49 2k0y h LEU 77 Ca 0.20 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.99 2k0y h LEU 77 Cb 0.27 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 2k0y h LEU 77 CO -0.01 -0.20 -0.03 0.40 -0.62 0.00 0.00 178.44 177.98 2k0y h ILE 78 N -0.29 1.10 -0.78 4.05 2.04 -0.90 -1.41 117.51 121.33 2k0y h ILE 78 Ca 0.00 -0.51 0.15 0.00 1.00 0.00 0.00 64.86 65.50 2k0y h ILE 78 Cb 0.28 1.44 -0.10 0.00 -0.74 0.00 0.00 36.82 37.70 2k0y h ILE 78 CO -0.04 0.13 0.32 0.78 0.00 0.00 0.00 178.15 179.34 2k0y h ASN 79 N -0.30 0.30 -0.06 1.72 -0.26 -0.37 0.56 115.58 117.17 2k0y h ASN 79 Ca -0.01 0.11 -0.02 0.00 -0.56 0.00 0.00 56.30 55.83 2k0y h ASN 79 Cb 0.27 0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.61 2k0y h ASN 79 CO 0.01 0.11 -0.03 1.23 -1.06 0.00 0.00 177.43 177.69 2k0y h GLY 80 N 0.46 0.14 1.13 2.83 0.00 -0.58 -1.96 103.07 105.08 2k0y h GLY 80 Ca 0.43 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 47.49 2k0y h GLY 80 CO -0.41 0.11 -0.29 0.00 0.00 0.00 0.00 176.54 175.95 2k0y h ALA 81 N 0.61 0.64 -0.10 3.60 0.00 -0.42 -2.80 119.26 120.78 2k0y h ALA 81 Ca 0.01 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 2k0y h ALA 81 Cb 0.48 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k0y h ALA 81 CO 0.01 0.68 -0.54 1.25 0.00 0.00 0.00 179.25 180.65 2k0y h LEU 82 N 0.82 0.33 -1.60 0.00 5.85 0.01 -2.21 115.31 118.51 2k0y h LEU 82 Ca 0.09 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 2k0y h LEU 82 Cb 0.88 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2k0y h LEU 82 CO 0.08 0.80 -0.22 0.00 -0.34 0.00 0.00 178.44 178.77 2k0y h ALA 83 N 1.20 1.44 0.00 1.25 0.00 -1.16 -2.53 119.26 119.46 2k0y h ALA 83 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2k0y h ALA 83 Cb 1.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2k0y h ALA 83 CO 0.09 0.27 -0.12 0.93 0.00 0.00 0.00 179.25 180.42 2k0y h GLU 84 N 0.00 0.00 -6.66 0.00 4.39 -1.15 -3.44 114.58 107.72 2k0y h GLU 84 Ca -0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 2k0y h GLU 84 Cb 0.44 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2k0y h GLU 84 CO 0.03 0.12 0.41 0.00 -1.16 0.00 0.00 179.01 178.41 2k0y s ALA 85 N -3.29 3.33 0.00 3.43 0.00 -0.95 -5.12 121.76 119.16 2k0y s ALA 85 Ca 0.05 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.71 2k0y s ALA 85 Cb 0.07 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2k0y s ALA 85 CO 0.66 -0.06 0.00 0.00 0.00 0.00 0.00 175.76 176.36