#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0y s ALA 2 N 0.00 2.43 -0.46 3.04 0.00 -1.26 -4.90 121.76 120.61 2k0y s ALA 2 Ca 0.00 0.36 -0.28 0.00 0.00 0.00 0.00 51.96 52.04 2k0y s ALA 2 Cb 0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 2k0y s ALA 2 CO 0.00 -1.44 1.67 0.95 0.00 0.00 0.00 175.76 176.94 2k0y s THR 3 N -2.67 3.58 0.81 0.00 -4.23 -1.26 -4.94 115.64 106.93 2k0y s THR 3 Ca 0.63 0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 61.57 2k0y s THR 3 Cb -0.18 -3.96 0.08 0.00 1.34 0.00 0.00 72.50 69.77 2k0y s THR 3 CO 0.49 -0.73 1.09 -0.22 -0.54 0.00 0.00 174.62 174.71 2k0y s LEU 4 N 7.00 2.79 -0.15 4.79 2.96 -1.26 -4.99 118.68 129.82 2k0y s LEU 4 Ca 0.68 1.70 -0.18 0.00 -0.22 0.00 0.00 54.13 56.12 2k0y s LEU 4 Cb -0.16 -4.32 -0.04 0.00 0.50 0.00 0.00 46.19 42.17 2k0y s LEU 4 CO 0.29 -2.20 0.46 -0.76 -1.32 0.00 0.00 176.35 172.81 2k0y s LEU 5 N -6.00 4.24 0.00 -0.68 1.43 -1.26 -4.97 118.68 111.43 2k0y s LEU 5 Ca 0.62 0.73 0.04 0.00 -1.03 0.00 0.00 54.13 54.49 2k0y s LEU 5 Cb -0.17 -2.64 0.07 0.00 0.03 0.00 0.00 46.19 43.48 2k0y s LEU 5 CO 0.56 -0.03 0.56 0.35 0.23 0.00 0.00 176.35 178.03 2k0y n THR 6 N 3.89 0.00 -0.17 5.49 -2.24 -1.26 -4.89 114.28 115.09 2k0y n THR 6 Ca -0.07 -1.20 0.06 0.00 -2.27 0.00 0.00 64.05 60.57 2k0y n THR 6 Cb 0.51 -0.79 0.35 0.00 -2.10 0.00 0.00 70.33 68.30 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 -0.11 1.03 0.05 4.28 2.02 -1.98 -0.56 112.91 117.65 2k0y h THR 7 Ca -0.19 -0.26 -0.23 0.00 0.77 0.00 0.00 66.41 66.50 2k0y h THR 7 Cb 0.81 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2k0y h THR 7 CO 0.25 0.14 -1.04 -0.78 0.37 0.00 0.00 175.52 174.46 2k0y h ASP 8 N 0.75 0.24 -0.43 4.18 3.58 -1.92 0.14 116.42 122.96 2k0y h ASP 8 Ca 0.30 -0.23 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 2k0y h ASP 8 Cb 0.22 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2k0y h ASP 8 CO -0.10 1.12 -0.02 0.44 -2.88 0.00 0.00 179.24 177.81 2k0y h ASP 9 N 0.06 0.77 -0.49 2.28 3.32 -1.84 -2.17 116.42 118.35 2k0y h ASP 9 Ca -0.06 -0.32 -0.09 0.00 0.02 0.00 0.00 57.03 56.58 2k0y h ASP 9 Cb 1.74 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 41.07 2k0y h ASP 9 CO 0.16 0.90 -0.03 0.25 -1.72 0.00 0.00 179.24 178.80 2k0y h LEU 10 N 0.62 0.88 -0.22 1.55 5.85 -1.05 -3.04 115.31 119.89 2k0y h LEU 10 Ca 0.12 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.56 2k0y h LEU 10 Cb 0.52 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 2k0y h LEU 10 CO 0.03 0.99 -0.49 -0.09 -0.34 0.00 0.00 178.44 178.54 2k0y h ARG 11 N 0.75 -0.47 -0.71 1.25 2.43 -0.45 -1.63 114.38 115.54 2k0y h ARG 11 Ca 0.14 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 2k0y h ARG 11 Cb 0.56 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 2k0y h ARG 11 CO 0.03 -0.31 0.47 0.00 -1.51 0.00 0.00 179.97 178.65 2k0y h ARG 12 N -0.48 0.78 -0.44 0.20 3.08 -1.38 -0.65 114.38 115.48 2k0y h ARG 12 Ca 0.07 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2k0y h ARG 12 Cb 0.64 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2k0y h ARG 12 CO -0.48 0.52 0.25 0.00 -1.07 0.00 0.00 179.97 179.19 2k0y h ALA 13 N 1.60 0.56 -0.48 0.04 0.00 -1.21 -0.71 119.26 119.05 2k0y h ALA 13 Ca 0.30 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2k0y h ALA 13 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2k0y h ALA 13 CO -0.09 0.08 0.02 -0.07 0.00 0.00 0.00 179.25 179.19 2k0y h LEU 14 N 0.58 0.82 -0.15 0.00 4.07 -0.55 -2.02 115.31 118.06 2k0y h LEU 14 Ca 0.16 -0.29 0.04 0.00 0.08 0.00 0.00 57.88 57.86 2k0y h LEU 14 Cb 0.04 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.51 2k0y h LEU 14 CO -0.03 0.91 -0.15 0.58 -1.08 0.00 0.00 178.44 178.68 2k0y h VAL 15 N 0.70 0.60 -0.20 1.22 2.07 -0.69 0.63 116.25 120.58 2k0y h VAL 15 Ca 0.14 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 2k0y h VAL 15 Cb 0.48 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2k0y h VAL 15 CO 0.02 0.00 -0.07 -0.33 0.02 0.00 0.00 177.57 177.21 2k0y h GLU 16 N -0.17 0.31 -0.02 1.57 4.39 -1.08 -2.80 114.58 116.78 2k0y h GLU 16 Ca 0.10 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2k0y h GLU 16 Cb 0.31 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2k0y h GLU 16 CO -0.25 0.39 -0.21 -1.13 -1.16 0.00 0.00 179.01 176.66 2k0y n SER 17 N -4.30 1.75 0.24 1.42 3.41 -0.77 -4.05 113.62 111.32 2k0y n SER 17 Ca -0.00 -1.39 0.11 0.00 -0.26 0.00 0.00 58.87 57.32 2k0y n SER 17 Cb 0.24 0.16 0.63 0.00 -0.26 0.00 0.00 64.21 64.98 2k0y n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k0y h ALA 18 N 4.08 1.27 0.00 7.33 0.00 -0.61 -3.47 119.26 127.86 2k0y h ALA 18 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k0y h ALA 18 Cb 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2k0y h ALA 18 CO 0.00 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.88 2k0y n GLY 19 N -0.54 1.32 1.72 0.00 0.00 -1.26 -4.85 105.19 101.59 2k0y n GLY 19 Ca -0.02 -0.35 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 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 3.11 -3.79 1.61 -0.58 -1.26 -4.80 120.64 114.93 2k0y n GLU 20 Ca 0.00 -2.35 -0.23 0.00 -0.42 0.00 0.00 57.16 54.16 2k0y n GLU 20 Cb 0.00 -2.00 0.02 0.00 -0.57 0.00 0.00 31.44 28.88 2k0y n GLU 20 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2k0y n THR 21 N -0.05 -3.95 -0.10 2.62 -2.24 -1.26 -4.90 114.28 104.41 2k0y n THR 21 Ca 0.32 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 2k0y n THR 21 Cb 1.15 -3.41 -0.06 0.00 -2.10 0.00 0.00 70.33 65.92 2k0y n THR 21 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0y h ASP 22 N -1.86 -1.46 -1.75 3.42 5.19 -1.87 -3.48 116.42 114.61 2k0y h ASP 22 Ca -0.62 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 2k0y h ASP 22 Cb 1.36 0.62 0.00 0.00 0.18 0.00 0.00 39.33 41.49 2k0y h ASP 22 CO 0.59 -0.39 0.00 0.61 -3.12 0.00 0.00 179.24 176.93 2k0y n GLY 23 N -1.42 0.80 3.74 2.75 0.00 -1.26 -5.05 105.19 104.74 2k0y n GLY 23 Ca -0.02 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 2k0y n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0y s THR 24 N -2.58 2.55 -1.19 2.61 -4.23 -1.26 -4.86 115.64 106.68 2k0y s THR 24 Ca 0.00 0.27 -0.21 0.00 -1.18 0.00 0.00 61.69 60.58 2k0y s THR 24 Cb 0.00 -2.84 0.01 0.00 1.34 0.00 0.00 72.50 71.01 2k0y s THR 24 CO 0.00 -0.14 1.78 -0.62 -0.54 0.00 0.00 174.62 175.10 2k0y s ASP 25 N -2.13 6.06 -0.35 3.99 2.15 -1.26 -4.62 116.67 120.51 2k0y s ASP 25 Ca 0.73 -1.90 0.07 0.00 0.43 0.00 0.00 52.55 51.87 2k0y s ASP 25 Cb -0.27 -2.58 0.54 0.00 -0.30 0.00 0.00 42.92 40.31 2k0y s ASP 25 CO 0.43 -1.97 1.59 0.18 -0.17 0.00 0.00 175.17 175.24 2k0y n LEU 26 N 10.87 4.98 -4.55 -1.34 4.32 -1.26 -4.95 117.00 125.07 2k0y n LEU 26 Ca 0.45 -3.82 -0.37 0.00 -0.02 0.00 0.00 56.01 52.24 2k0y n LEU 26 Cb 0.47 -0.69 -0.03 0.00 -1.62 0.00 0.00 43.42 41.55 2k0y n LEU 26 CO 0.71 1.27 1.78 -0.44 -1.22 0.00 0.00 177.39 179.49 2k0y s SER 27 N -2.26 4.92 0.00 -1.43 0.01 -1.26 -4.23 113.70 109.45 2k0y s SER 27 Ca 0.49 0.66 0.00 0.00 1.31 0.00 0.00 55.95 58.41 2k0y s SER 27 Cb 0.43 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 64.14 2k0y s SER 27 CO 0.02 -2.59 0.00 0.61 0.41 0.00 0.00 173.24 171.70 2k0y n GLY 28 N 5.83 2.08 2.72 3.44 0.00 -1.26 -4.74 105.19 113.25 2k0y n GLY 28 Ca 0.27 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 2k0y n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k0y s ASP 29 N 0.00 1.48 -0.01 1.61 2.15 -1.26 -4.66 116.67 115.97 2k0y s ASP 29 Ca 0.00 -0.06 0.02 0.00 0.43 0.00 0.00 52.55 52.93 2k0y s ASP 29 Cb 0.00 -0.31 0.03 0.00 -0.30 0.00 0.00 42.92 42.34 2k0y s ASP 29 CO 0.00 -0.23 0.82 2.22 -0.17 0.00 0.00 175.17 177.81 2k0y n PHE 30 N 5.21 0.00 0.17 -5.34 -1.74 -1.26 -4.89 117.46 109.61 2k0y n PHE 30 Ca -0.05 -0.14 0.19 0.00 -0.56 0.00 0.00 57.45 56.89 2k0y n PHE 30 Cb 0.50 -0.04 0.78 0.00 1.52 0.00 0.00 39.48 42.24 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 -0.99 5.98 3.38 -1.93 -0.43 115.31 121.32 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 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2k0y h LEU 31 CO 0.00 0.00 -0.26 -0.90 0.09 0.00 0.00 178.44 177.37 2k0y n ASP 32 N -3.49 1.79 -4.75 -0.43 5.68 -1.26 -2.99 116.55 111.10 2k0y n ASP 32 Ca 0.04 -1.40 -0.40 0.00 -0.50 0.00 0.00 54.79 52.53 2k0y n ASP 32 Cb 0.52 0.22 -0.06 0.00 -1.14 0.00 0.00 41.12 40.66 2k0y n ASP 32 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2k0y s LEU 33 N -2.33 4.61 0.26 -2.12 1.02 -0.17 -4.98 118.68 114.97 2k0y s LEU 33 Ca 0.25 1.87 -0.29 0.00 0.02 0.00 0.00 54.13 55.98 2k0y s LEU 33 Cb 0.19 -3.56 -0.09 0.00 0.02 0.00 0.00 46.19 42.75 2k0y s LEU 33 CO 0.47 0.12 0.94 -0.13 0.02 0.00 0.00 176.35 177.77 2k0y s ARG 34 N -0.92 4.77 0.11 1.70 1.81 -1.26 -3.99 118.95 121.16 2k0y s ARG 34 Ca 0.41 1.43 -0.15 0.00 -1.72 0.00 0.00 55.73 55.71 2k0y s ARG 34 Cb -0.25 -3.13 -0.05 0.00 -0.45 0.00 0.00 34.95 31.07 2k0y s ARG 34 CO 0.31 0.45 1.49 0.74 -0.68 0.00 0.00 175.30 177.60 2k0y h PHE 35 N 3.85 0.82 -0.77 -0.53 0.04 -1.70 -1.57 116.94 117.08 2k0y h PHE 35 Ca -0.46 -0.20 0.14 0.00 2.80 0.00 0.00 57.97 60.25 2k0y h PHE 35 Cb 1.20 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 39.10 2k0y h PHE 35 CO 0.61 0.91 0.51 0.93 -0.60 0.00 0.00 178.31 180.67 2k0y h GLU 36 N 0.49 0.48 0.03 1.51 3.07 -1.82 0.17 114.58 118.52 2k0y h GLU 36 Ca 0.08 -0.03 -0.22 0.00 -0.50 0.00 0.00 59.36 58.69 2k0y h GLU 36 Cb 0.69 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 2k0y h GLU 36 CO 0.05 0.32 -1.03 0.22 -1.40 0.00 0.00 179.01 177.17 2k0y h ASP 37 N 0.50 0.12 -0.43 1.42 3.58 -1.75 -3.05 116.42 116.82 2k0y h ASP 37 Ca 0.37 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2k0y h ASP 37 Cb 0.75 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2k0y h ASP 37 CO -0.13 1.07 0.00 2.30 -2.88 0.00 0.00 179.24 179.59 2k0y n ILE 38 N -3.44 1.34 -1.75 2.25 -5.35 -0.54 -4.88 119.36 106.99 2k0y n ILE 38 Ca -0.02 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.64 2k0y n ILE 38 Cb 0.93 -0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 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 0.78 0.82 3.24 3.28 0.00 -0.88 -5.02 105.19 107.41 2k0y n GLY 39 Ca 0.18 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.34 2.81 0.36 1.61 1.51 0.48 -5.00 117.35 116.77 2k0y s TYR 40 Ca 0.00 -1.17 -0.15 0.00 -1.01 0.00 0.00 57.07 54.75 2k0y s TYR 40 Cb 0.00 -1.93 -0.09 0.00 -0.11 0.00 0.00 41.96 39.83 2k0y s TYR 40 CO 0.00 -0.57 0.77 -0.51 -1.11 0.00 0.00 175.55 174.14 2k0y s ASP 41 N 1.05 6.73 0.42 2.29 1.01 -1.26 -3.25 116.67 123.65 2k0y s ASP 41 Ca -0.01 1.30 0.16 0.00 0.71 0.00 0.00 52.55 54.71 2k0y s ASP 41 Cb -0.15 -2.38 1.05 0.00 1.01 0.00 0.00 42.92 42.45 2k0y s ASP 41 CO -0.04 -0.28 1.89 0.77 0.21 0.00 0.00 175.17 177.73 2k0y h SER 42 N 1.96 0.41 -0.24 0.27 4.64 -1.95 0.20 113.55 118.85 2k0y h SER 42 Ca -0.48 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 60.83 2k0y h SER 42 Cb 1.18 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2k0y h SER 42 CO 0.64 0.20 -0.02 0.25 -0.87 0.00 0.00 176.83 177.03 2k0y h LEU 43 N 0.43 0.43 -0.86 5.97 6.46 -1.94 0.36 115.31 126.15 2k0y h LEU 43 Ca 0.41 -0.33 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 2k0y h LEU 43 Cb 0.95 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.73 2k0y h LEU 43 CO -0.14 0.66 0.38 0.00 -0.62 0.00 0.00 178.44 178.71 2k0y h ALA 44 N 0.78 1.11 -0.86 1.25 0.00 -1.62 -2.19 119.26 117.73 2k0y h ALA 44 Ca 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2k0y h ALA 44 Cb 0.45 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2k0y h ALA 44 CO 0.02 0.66 0.43 1.25 0.00 0.00 0.00 179.25 181.60 2k0y h LEU 45 N 1.18 1.11 -1.33 0.00 5.85 -0.46 -1.44 115.31 120.23 2k0y h LEU 45 Ca 0.28 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 2k0y h LEU 45 Cb 0.15 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 2k0y h LEU 45 CO -0.03 0.92 -0.06 0.24 -0.34 0.00 0.00 178.44 179.17 2k0y h MET 46 N 1.21 0.37 0.00 1.25 2.86 -0.38 -2.25 114.93 117.99 2k0y h MET 46 Ca 0.30 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.81 2k0y h MET 46 Cb 0.10 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2k0y h MET 46 CO -0.04 0.45 -0.23 1.49 1.06 0.00 0.00 176.91 179.64 2k0y h GLU 47 N 0.36 0.00 0.63 1.72 4.81 -0.67 0.66 114.58 122.08 2k0y h GLU 47 Ca 0.08 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2k0y h GLU 47 Cb 0.34 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.72 2k0y h GLU 47 CO 0.02 0.23 -0.30 1.15 -0.73 0.00 0.00 179.01 179.37 2k0y h THR 48 N 0.00 0.00 -0.72 0.32 2.02 -1.10 -1.51 112.91 111.92 2k0y h THR 48 Ca -0.00 -0.20 0.07 0.00 0.77 0.00 0.00 66.41 67.06 2k0y h THR 48 Cb 0.42 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.79 2k0y h THR 48 CO 0.03 0.00 0.47 0.00 0.37 0.00 0.00 175.52 176.39 2k0y h ALA 49 N -1.41 1.74 -0.46 6.16 0.00 -1.20 -2.12 119.26 121.97 2k0y h ALA 49 Ca -0.09 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2k0y h ALA 49 Cb 0.65 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2k0y h ALA 49 CO 0.14 0.13 0.26 0.00 0.00 0.00 0.00 179.25 179.78 2k0y h ALA 50 N 1.62 0.58 -0.50 0.00 0.00 0.52 0.39 119.26 121.87 2k0y h ALA 50 Ca 0.32 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 2k0y h ALA 50 Cb 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2k0y h ALA 50 CO -0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 179.25 179.06 2k0y h ARG 51 N 0.52 0.84 -0.51 0.00 3.08 -0.68 -0.79 114.38 116.84 2k0y h ARG 51 Ca 0.19 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 2k0y h ARG 51 Cb 0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2k0y h ARG 51 CO -0.10 0.85 0.14 -0.07 -1.07 0.00 0.00 179.97 179.72 2k0y h LEU 52 N 0.78 0.76 0.20 3.04 3.38 -0.69 0.23 115.31 123.01 2k0y h LEU 52 Ca 0.15 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2k0y h LEU 52 Cb 0.49 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2k0y h LEU 52 CO 0.02 0.78 -0.23 -0.33 0.09 0.00 0.00 178.44 178.78 2k0y h GLU 53 N 0.70 -0.45 -0.88 1.13 5.08 0.02 -0.00 114.58 120.16 2k0y h GLU 53 Ca 0.16 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2k0y h GLU 53 Cb 0.31 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2k0y h GLU 53 CO -0.00 -0.30 0.49 0.77 -1.00 0.00 0.00 179.01 178.96 2k0y h SER 54 N -0.47 1.10 0.03 1.42 0.02 -0.97 0.36 113.55 115.04 2k0y h SER 54 Ca 0.00 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2k0y h SER 54 Cb 0.45 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2k0y h SER 54 CO -0.07 0.88 -0.02 -0.09 -1.14 0.00 0.00 176.83 176.40 2k0y h ARG 55 N 1.24 -0.05 0.00 3.45 2.43 -0.32 -3.37 114.38 117.76 2k0y h ARG 55 Ca 0.31 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.38 2k0y h ARG 55 Cb 0.02 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2k0y h ARG 55 CO -0.05 0.33 -1.83 0.66 -1.51 0.00 0.00 179.97 177.56 2k0y n TYR 56 N -4.93 0.31 -0.49 2.20 4.01 -0.03 -4.98 117.16 113.24 2k0y n TYR 56 Ca -0.08 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2k0y n TYR 56 Cb 0.21 -0.76 0.00 0.00 -0.31 0.00 0.00 39.34 38.47 2k0y n TYR 56 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k0y n GLY 57 N 1.37 0.84 3.84 2.72 0.00 0.12 -5.06 105.19 109.02 2k0y n GLY 57 Ca -0.10 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.00 5.42 -0.37 1.61 0.11 -1.17 -5.03 120.40 118.97 2k0y s VAL 58 Ca 0.00 0.30 -0.15 0.00 -2.93 0.00 0.00 61.98 59.20 2k0y s VAL 58 Cb 0.00 -3.46 -0.00 0.00 -1.53 0.00 0.00 36.38 31.39 2k0y s VAL 58 CO 0.00 0.57 0.33 -0.44 -3.33 0.00 0.00 175.10 172.23 2k0y s SER 59 N -0.67 6.14 -0.23 3.54 0.01 -1.26 -4.39 113.70 116.84 2k0y s SER 59 Ca 0.15 -0.50 -0.11 0.00 1.31 0.00 0.00 55.95 56.80 2k0y s SER 59 Cb -0.12 -2.18 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 2k0y s SER 59 CO 0.04 -0.38 0.19 -0.63 0.41 0.00 0.00 173.24 172.86 2k0y s ILE 60 N 1.90 5.34 -0.10 1.44 1.01 -1.26 -5.04 121.20 124.49 2k0y s ILE 60 Ca 0.09 0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.69 2k0y s ILE 60 Cb -0.17 -3.53 -0.06 0.00 0.01 0.00 0.00 42.46 38.71 2k0y s ILE 60 CO 0.11 0.34 1.94 -2.84 0.00 0.00 0.00 174.94 174.49 2k0y s PRO 61 N 1.06 3.77 0.61 2.79 0.02 -1.26 -4.86 135.00 137.13 2k0y s PRO 61 Ca 0.09 2.20 0.30 0.00 0.02 0.00 0.00 61.00 63.61 2k0y s PRO 61 Cb -0.14 -4.18 1.66 0.00 0.02 0.00 0.00 34.50 31.86 2k0y s PRO 61 CO 0.05 -1.36 2.03 0.38 -0.33 0.00 0.00 177.00 177.77 2k0y h ASP 62 N 11.85 0.00 -0.27 2.53 2.03 -1.98 0.34 116.42 130.92 2k0y h ASP 62 Ca -0.43 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.78 2k0y h ASP 62 Cb 1.22 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.71 2k0y h ASP 62 CO 0.96 0.00 -0.17 0.44 -1.03 0.00 0.00 179.24 179.44 2k0y h ASP 63 N 0.00 0.62 0.34 4.15 5.19 -1.99 -2.99 116.42 121.75 2k0y h ASP 63 Ca 0.10 -0.43 -0.20 0.00 -0.62 0.00 0.00 57.03 55.88 2k0y h ASP 63 Cb 0.66 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.99 2k0y h ASP 63 CO -0.00 0.92 -0.81 0.58 -3.12 0.00 0.00 179.24 176.81 2k0y h VAL 64 N 0.33 1.41 -0.06 -1.35 2.07 -1.37 -2.81 116.25 114.47 2k0y h VAL 64 Ca 0.06 -2.31 0.02 0.00 0.82 0.00 0.00 66.70 65.29 2k0y h VAL 64 Cb 0.70 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2k0y h VAL 64 CO 0.05 0.69 0.08 0.00 0.02 0.00 0.00 177.57 178.40 2k0y h ALA 65 N 0.90 1.54 -0.03 1.67 0.00 -1.19 0.14 119.26 122.30 2k0y h ALA 65 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k0y h ALA 65 Cb 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2k0y h ALA 65 CO 0.14 -0.11 -0.01 0.41 0.00 0.00 0.00 179.25 179.68 2k0y n GLY 66 N -1.31 0.62 0.00 0.00 0.00 -1.08 -4.27 105.19 99.15 2k0y n GLY 66 Ca -0.01 -0.59 0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 1.12 0.34 -2.34 1.61 0.63 0.00 -4.91 116.66 113.11 2k0y n ARG 67 Ca 0.12 -0.05 -0.43 0.00 -0.92 0.00 0.00 57.85 56.57 2k0y n ARG 67 Cb 0.51 -1.48 -0.02 0.00 0.45 0.00 0.00 32.46 31.92 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 -3.09 4.04 -0.20 5.15 -7.23 -0.99 -4.86 120.40 113.23 2k0y s VAL 68 Ca 0.03 1.19 -0.22 0.00 -1.81 0.00 0.00 61.98 61.18 2k0y s VAL 68 Cb 0.15 -4.00 -0.20 0.00 0.56 0.00 0.00 36.38 32.89 2k0y s VAL 68 CO 0.85 -0.36 0.27 0.44 -0.31 0.00 0.00 175.10 175.98 2k0y h ASP 69 N 9.45 0.01 -2.64 4.85 5.19 -1.93 -3.46 116.42 127.89 2k0y h ASP 69 Ca -0.28 -0.56 -0.62 0.00 -0.62 0.00 0.00 57.03 54.95 2k0y h ASP 69 Cb 1.11 -0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.47 2k0y h ASP 69 CO 1.01 1.45 -0.76 0.42 -3.12 0.00 0.00 179.24 178.25 2k0y s THR 70 N -2.35 2.69 0.56 0.35 -4.23 -1.26 -1.88 115.64 109.51 2k0y s THR 70 Ca -0.28 -2.11 0.25 0.00 -1.18 0.00 0.00 61.69 58.37 2k0y s THR 70 Cb 0.05 -2.37 0.34 0.00 1.34 0.00 0.00 72.50 71.86 2k0y s THR 70 CO 0.60 -0.26 2.15 -0.65 -0.54 0.00 0.00 174.62 175.92 2k0y h PRO 71 N 2.61 0.00 -0.44 3.99 0.11 -1.68 -1.42 132.00 135.16 2k0y h PRO 71 Ca -0.44 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.76 2k0y h PRO 71 Cb 1.23 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.27 2k0y h PRO 71 CO 0.55 0.00 0.01 -0.09 -0.21 0.00 0.00 178.00 178.26 2k0y h ARG 72 N 0.00 0.12 -0.19 1.05 2.43 -1.87 0.45 114.38 116.38 2k0y h ARG 72 Ca 0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2k0y h ARG 72 Cb 0.25 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2k0y h ARG 72 CO -0.00 0.08 0.07 0.93 -1.51 0.00 0.00 179.97 179.53 2k0y h GLU 73 N 0.12 0.28 0.02 0.20 4.39 -1.57 -2.06 114.58 115.96 2k0y h GLU 73 Ca 0.22 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 2k0y h GLU 73 Cb 0.32 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2k0y h GLU 73 CO -0.36 0.38 -0.01 1.25 -1.16 0.00 0.00 179.01 179.11 2k0y h LEU 74 N 0.13 -0.02 -0.04 1.33 6.46 -1.28 -1.77 115.31 120.13 2k0y h LEU 74 Ca 0.06 -0.35 0.03 0.00 -0.12 0.00 0.00 57.88 57.50 2k0y h LEU 74 Cb 0.20 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 2k0y h LEU 74 CO -0.00 0.34 -0.15 0.25 -0.62 0.00 0.00 178.44 178.26 2k0y h LEU 75 N -0.38 -0.44 -1.20 2.25 5.85 -0.12 -1.57 115.31 119.69 2k0y h LEU 75 Ca -0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2k0y h LEU 75 Cb 0.37 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2k0y h LEU 75 CO 0.00 -0.20 0.39 -0.78 -0.34 0.00 0.00 178.44 177.51 2k0y h ASP 76 N -0.23 0.84 0.21 1.25 3.58 -1.36 0.46 116.42 121.16 2k0y h ASP 76 Ca 0.06 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2k0y h ASP 76 Cb 0.31 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2k0y h ASP 76 CO -0.17 0.66 -0.10 0.25 -2.88 0.00 0.00 179.24 177.00 2k0y h LEU 77 N 0.95 -0.24 -0.18 2.28 7.12 -0.77 -1.94 115.31 122.54 2k0y h LEU 77 Ca 0.25 -0.07 -0.10 0.00 0.13 0.00 0.00 57.88 58.09 2k0y h LEU 77 Cb -0.00 0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 40.19 2k0y h LEU 77 CO -0.04 -0.08 -0.27 0.40 -0.13 0.00 0.00 178.44 178.32 2k0y h ILE 78 N -0.38 1.34 -0.35 4.05 2.04 -0.97 -2.86 117.51 120.37 2k0y h ILE 78 Ca -0.03 -1.48 0.08 0.00 1.00 0.00 0.00 64.86 64.43 2k0y h ILE 78 Cb 0.29 1.86 -0.08 0.00 -0.74 0.00 0.00 36.82 38.15 2k0y h ILE 78 CO 0.05 0.45 -0.28 -1.13 0.00 0.00 0.00 178.15 177.24 2k0y h ASN 79 N 0.16 -0.92 -0.42 1.72 -0.73 -0.02 0.68 115.58 116.05 2k0y h ASN 79 Ca 0.02 0.17 -0.05 0.00 1.87 0.00 0.00 56.30 58.31 2k0y h ASN 79 Cb 0.84 0.44 -0.02 0.00 0.27 0.00 0.00 38.32 39.85 2k0y h ASN 79 CO 0.06 -0.30 0.06 1.23 -0.37 0.00 0.00 177.43 178.12 2k0y h GLY 80 N -0.23 0.75 1.66 1.57 0.00 -1.43 -0.13 103.07 105.26 2k0y h GLY 80 Ca 0.17 -0.50 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 2k0y h GLY 80 CO -0.48 0.46 -0.44 0.00 0.00 0.00 0.00 176.54 176.08 2k0y h ALA 81 N 0.93 0.95 0.03 3.60 0.00 -1.03 -1.98 119.26 121.76 2k0y h ALA 81 Ca 0.13 -0.45 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 2k0y h ALA 81 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2k0y h ALA 81 CO 0.01 0.64 -1.01 1.25 0.00 0.00 0.00 179.25 180.13 2k0y h LEU 82 N 0.31 0.17 -0.59 0.00 5.85 0.41 -2.36 115.31 119.09 2k0y h LEU 82 Ca 0.02 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 2k0y h LEU 82 Cb 0.91 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2k0y h LEU 82 CO 0.08 1.07 0.17 0.00 -0.34 0.00 0.00 178.44 179.42 2k0y h ALA 83 N 0.91 0.78 -0.18 1.25 0.00 -0.78 -2.68 119.26 118.55 2k0y h ALA 83 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k0y h ALA 83 Cb 1.72 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2k0y h ALA 83 CO 0.15 0.46 0.00 0.39 0.00 0.00 0.00 179.25 180.25 2k0y n GLU 84 N -4.39 1.48 -2.94 0.00 -0.58 -0.77 -4.46 120.64 108.99 2k0y n GLU 84 Ca 0.03 -0.74 -0.42 0.00 -0.42 0.00 0.00 57.16 55.61 2k0y n GLU 84 Cb 0.22 -1.22 -0.05 0.00 -0.57 0.00 0.00 31.44 29.82 2k0y n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k0y s ALA 85 N -1.76 3.50 -2.10 0.62 0.00 -0.89 -5.05 121.76 116.08 2k0y s ALA 85 Ca 0.19 -0.47 0.17 0.00 0.00 0.00 0.00 51.96 51.85 2k0y s ALA 85 Cb 0.10 -3.32 0.13 0.00 0.00 0.00 0.00 23.12 20.03 2k0y s ALA 85 CO 0.14 -1.28 1.03 0.00 0.00 0.00 0.00 175.76 175.66