#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0y n ALA 2 N 0.00 2.73 -2.68 3.04 0.00 -1.26 -5.00 120.51 117.34 2k0y n ALA 2 Ca 0.00 -2.54 -0.43 0.00 0.00 0.00 0.00 53.44 50.47 2k0y n ALA 2 Cb 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 2k0y n ALA 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k0y s THR 3 N -1.91 4.47 0.00 0.00 2.01 -1.26 -4.87 115.64 114.09 2k0y s THR 3 Ca 0.29 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.41 2k0y s THR 3 Cb 0.29 -4.50 0.00 0.00 0.01 0.00 0.00 72.50 68.30 2k0y s THR 3 CO -0.05 -1.07 0.00 -0.11 -0.69 0.00 0.00 174.62 172.69 2k0y n LEU 4 N 7.24 0.00 -4.15 4.42 7.94 -1.26 -4.87 117.00 126.32 2k0y n LEU 4 Ca 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.57 2k0y n LEU 4 Cb 0.47 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.26 2k0y n LEU 4 CO 0.62 0.00 -0.54 -0.76 -1.11 0.00 0.00 177.39 175.60 2k0y s LEU 5 N 0.00 2.10 0.00 -1.96 1.43 -1.26 -5.00 118.68 113.99 2k0y s LEU 5 Ca 0.00 -0.61 0.08 0.00 -1.03 0.00 0.00 54.13 52.56 2k0y s LEU 5 Cb 0.00 -1.45 0.11 0.00 0.03 0.00 0.00 46.19 44.88 2k0y s LEU 5 CO 0.00 0.06 0.86 0.35 0.23 0.00 0.00 176.35 177.85 2k0y n THR 6 N 4.22 0.00 0.12 5.49 -2.24 -1.26 -4.88 114.28 115.73 2k0y n THR 6 Ca -0.20 -1.89 0.07 0.00 -2.27 0.00 0.00 64.05 59.76 2k0y n THR 6 Cb 0.51 -0.59 0.54 0.00 -2.10 0.00 0.00 70.33 68.70 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 -0.05 1.02 -0.12 4.28 2.02 -1.98 0.14 112.91 118.22 2k0y h THR 7 Ca -0.29 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 2k0y h THR 7 Cb 1.27 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 2k0y h THR 7 CO 0.39 0.05 -0.14 -0.78 0.37 0.00 0.00 175.52 175.40 2k0y h ASP 8 N 0.26 0.33 -0.68 4.18 1.82 -1.94 0.88 116.42 121.27 2k0y h ASP 8 Ca 0.09 -0.50 -0.07 0.00 -0.39 0.00 0.00 57.03 56.16 2k0y h ASP 8 Cb 0.06 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 39.95 2k0y h ASP 8 CO -0.02 0.77 0.16 0.44 -1.61 0.00 0.00 179.24 178.98 2k0y h ASP 9 N -0.10 1.04 0.10 2.28 3.32 -1.83 -2.46 116.42 118.78 2k0y h ASP 9 Ca 0.02 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 2k0y h ASP 9 Cb 0.68 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2k0y h ASP 9 CO 0.03 1.00 -0.05 0.25 -1.72 0.00 0.00 179.24 178.76 2k0y h LEU 10 N 1.04 -0.12 -0.97 1.55 5.85 -0.66 -2.97 115.31 119.04 2k0y h LEU 10 Ca 0.22 -0.23 0.16 0.00 0.84 0.00 0.00 57.88 58.87 2k0y h LEU 10 Cb 0.37 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.33 2k0y h LEU 10 CO 0.00 0.17 0.57 -0.09 -0.34 0.00 0.00 178.44 178.76 2k0y h ARG 11 N -0.41 0.77 0.05 1.25 2.43 -0.65 -0.42 114.38 117.40 2k0y h ARG 11 Ca -0.01 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2k0y h ARG 11 Cb 0.34 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 2k0y h ARG 11 CO 0.02 0.51 -0.27 -0.09 -1.51 0.00 0.00 179.97 178.63 2k0y h ARG 12 N 0.79 -0.43 -0.84 0.20 2.43 -1.32 -1.27 114.38 113.95 2k0y h ARG 12 Ca 0.53 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.71 2k0y h ARG 12 Cb 0.73 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.34 2k0y h ARG 12 CO -0.35 -0.28 0.46 0.00 -1.51 0.00 0.00 179.97 178.29 2k0y h ALA 13 N 0.32 1.24 0.09 2.80 0.00 -0.97 -0.79 119.26 121.95 2k0y h ALA 13 Ca 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k0y h ALA 13 Cb 0.51 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k0y h ALA 13 CO -0.21 0.62 -0.04 -0.07 0.00 0.00 0.00 179.25 179.55 2k0y h LEU 14 N 1.17 -0.10 -1.24 0.00 -0.00 -1.01 -1.97 115.31 112.16 2k0y h LEU 14 Ca 0.30 -0.12 -0.04 0.00 -0.00 0.00 0.00 57.88 58.01 2k0y h LEU 14 Cb 0.02 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 40.69 2k0y h LEU 14 CO -0.05 0.06 0.04 0.58 -0.00 0.00 0.00 178.44 179.08 2k0y h VAL 15 N -0.26 1.19 -0.06 1.22 2.07 -0.78 -0.19 116.25 119.45 2k0y h VAL 15 Ca -0.01 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2k0y h VAL 15 Cb 0.22 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2k0y h VAL 15 CO 0.02 0.26 0.02 -0.33 0.02 0.00 0.00 177.57 177.56 2k0y h GLU 16 N 0.55 0.08 -0.00 1.57 5.08 -1.05 -3.08 114.58 117.73 2k0y h GLU 16 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2k0y h GLU 16 Cb 0.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2k0y h GLU 16 CO 0.00 0.22 -0.09 -1.13 -1.00 0.00 0.00 179.01 177.01 2k0y n SER 17 N -4.96 0.15 0.25 1.42 3.41 -0.75 -3.23 113.62 109.91 2k0y n SER 17 Ca -0.06 0.06 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 2k0y n SER 17 Cb 0.11 -0.27 0.65 0.00 -0.26 0.00 0.00 64.21 64.44 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 3.20 1.46 0.00 7.33 0.00 -0.94 -3.46 119.26 126.85 2k0y h ALA 18 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k0y h ALA 18 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k0y h ALA 18 CO 0.00 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.83 2k0y n GLY 19 N -0.86 1.72 3.60 0.00 0.00 -1.20 -4.90 105.19 103.55 2k0y n GLY 19 Ca -0.02 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2k0y n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0y s GLU 20 N 0.00 3.09 -0.25 1.61 0.41 -1.26 -4.81 118.70 117.49 2k0y s GLU 20 Ca 0.00 1.83 0.11 0.00 -0.41 0.00 0.00 54.97 56.50 2k0y s GLU 20 Cb 0.00 -4.35 0.49 0.00 -1.78 0.00 0.00 34.13 28.49 2k0y s GLU 20 CO 0.00 -2.15 1.41 2.41 -0.49 0.00 0.00 175.26 176.45 2k0y n THR 21 N 7.70 2.43 0.07 3.63 -1.04 -1.26 -4.57 114.28 121.24 2k0y n THR 21 Ca 0.29 -2.62 -0.03 0.00 -2.04 0.00 0.00 64.05 59.64 2k0y n THR 21 Cb 0.46 -0.30 -0.02 0.00 -1.82 0.00 0.00 70.33 68.66 2k0y n THR 21 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2k0y h ASP 22 N 1.07 -0.19 0.00 8.00 3.32 -1.98 -3.48 116.42 123.15 2k0y h ASP 22 Ca 0.15 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2k0y h ASP 22 Cb 1.51 0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.11 2k0y h ASP 22 CO 0.30 0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.50 2k0y n GLY 23 N 0.95 -1.58 2.99 2.75 0.00 -1.26 -5.02 105.19 104.03 2k0y n GLY 23 Ca -0.03 0.57 -0.42 0.00 0.00 0.00 0.00 46.02 46.14 2k0y n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k0y n THR 24 N 0.00 3.55 -1.68 2.61 5.66 -1.26 -4.94 114.28 118.22 2k0y n THR 24 Ca 0.00 -3.30 -0.44 0.00 -3.05 0.00 0.00 64.05 57.26 2k0y n THR 24 Cb 0.00 -2.52 -0.04 0.00 -1.55 0.00 0.00 70.33 66.22 2k0y n THR 24 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2k0y n ASP 25 N 6.87 3.73 -0.87 1.09 2.03 -1.26 -4.84 116.55 123.30 2k0y n ASP 25 Ca 0.51 1.00 0.04 0.00 0.52 0.00 0.00 54.79 56.87 2k0y n ASP 25 Cb 0.41 -1.49 0.07 0.00 -0.72 0.00 0.00 41.12 39.40 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 5.36 1.32 -4.65 -2.67 7.94 -1.26 -5.08 117.00 117.96 2k0y n LEU 26 Ca 0.19 -2.34 -0.46 0.00 -1.11 0.00 0.00 56.01 52.30 2k0y n LEU 26 Cb 0.34 -0.18 -0.03 0.00 0.53 0.00 0.00 43.42 44.08 2k0y n LEU 26 CO 0.67 0.67 0.97 -1.54 -1.11 0.00 0.00 177.39 177.05 2k0y n SER 27 N -0.24 2.51 0.00 1.96 3.41 -1.26 -4.60 113.62 115.40 2k0y n SER 27 Ca 0.09 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.84 2k0y n SER 27 Cb 0.87 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 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 2.18 -1.76 3.69 5.00 0.00 -1.26 -4.80 105.19 108.25 2k0y n GLY 28 Ca 0.12 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 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 7.17 -0.10 1.61 1.01 -1.26 -4.87 116.67 116.23 2k0y s ASP 29 Ca 0.00 1.70 0.14 0.00 0.71 0.00 0.00 52.55 55.11 2k0y s ASP 29 Cb 0.00 -2.56 0.22 0.00 1.01 0.00 0.00 42.92 41.59 2k0y s ASP 29 CO 0.00 -0.48 1.11 2.22 0.21 0.00 0.00 175.17 178.23 2k0y n PHE 30 N 4.85 0.00 0.21 4.23 -1.74 -1.26 -4.83 117.46 118.92 2k0y n PHE 30 Ca 0.09 -0.80 0.18 0.00 -0.56 0.00 0.00 57.45 56.37 2k0y n PHE 30 Cb 0.48 -0.12 0.79 0.00 1.52 0.00 0.00 39.48 42.15 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 0.00 5.98 3.38 -1.95 -0.19 115.31 122.53 2k0y h LEU 31 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2k0y h LEU 31 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2k0y h LEU 31 CO 0.00 0.00 -1.36 -0.67 0.09 0.00 0.00 178.44 176.50 2k0y n ASP 32 N -3.36 0.69 -4.62 -0.43 2.03 -1.26 -3.54 116.55 106.06 2k0y n ASP 32 Ca 0.03 0.28 -0.43 0.00 0.52 0.00 0.00 54.79 55.19 2k0y n ASP 32 Cb 0.48 0.60 -0.02 0.00 -0.72 0.00 0.00 41.12 41.45 2k0y n ASP 32 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2k0y s LEU 33 N -5.39 3.82 0.41 -2.67 1.43 -0.08 -4.96 118.68 111.23 2k0y s LEU 33 Ca -0.03 1.00 -0.23 0.00 -1.03 0.00 0.00 54.13 53.84 2k0y s LEU 33 Cb 0.10 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.68 2k0y s LEU 33 CO 0.82 -1.09 1.04 -0.13 0.23 0.00 0.00 176.35 177.21 2k0y s ARG 34 N 4.15 4.14 0.27 1.70 0.52 -1.26 -4.39 118.95 124.07 2k0y s ARG 34 Ca 0.52 1.46 -0.01 0.00 -0.52 0.00 0.00 55.73 57.18 2k0y s ARG 34 Cb -0.14 -2.47 0.47 0.00 0.52 0.00 0.00 34.95 33.34 2k0y s ARG 34 CO 0.23 -0.16 1.83 0.74 0.02 0.00 0.00 175.30 177.97 2k0y h PHE 35 N 2.36 1.05 -0.74 -0.53 0.04 -1.72 0.29 116.94 117.69 2k0y h PHE 35 Ca -0.48 0.03 0.13 0.00 2.80 0.00 0.00 57.97 60.45 2k0y h PHE 35 Cb 1.21 -0.33 -0.05 0.00 2.20 0.00 0.00 35.95 38.98 2k0y h PHE 35 CO 0.58 0.44 0.49 1.05 -0.60 0.00 0.00 178.31 180.27 2k0y h GLU 36 N 0.95 0.48 0.10 1.51 4.11 -1.82 0.21 114.58 120.12 2k0y h GLU 36 Ca 0.45 -0.03 -0.27 0.00 0.07 0.00 0.00 59.36 59.58 2k0y h GLU 36 Cb 0.40 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k0y h GLU 36 CO -0.25 0.32 -1.28 0.22 0.07 0.00 0.00 179.01 178.09 2k0y h ASP 37 N 0.49 0.34 -0.33 3.06 3.58 -1.26 -3.19 116.42 119.12 2k0y h ASP 37 Ca 0.36 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2k0y h ASP 37 Cb 0.70 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.64 2k0y h ASP 37 CO -0.12 1.31 0.00 2.30 -2.88 0.00 0.00 179.24 179.85 2k0y n ILE 38 N -3.47 1.28 -0.71 2.25 -5.35 -0.76 -4.86 119.36 107.74 2k0y n ILE 38 Ca -0.09 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 2k0y n ILE 38 Cb 1.02 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 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 0.53 0.61 3.50 3.28 0.00 -0.94 -5.03 105.19 107.14 2k0y n GLY 39 Ca 0.15 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 3.22 0.38 1.61 1.51 0.66 -5.00 117.35 117.72 2k0y s TYR 40 Ca 0.00 -0.34 -0.10 0.00 -1.01 0.00 0.00 57.07 55.62 2k0y s TYR 40 Cb 0.00 -2.44 -0.06 0.00 -0.11 0.00 0.00 41.96 39.34 2k0y s TYR 40 CO 0.00 -0.40 0.73 -0.51 -1.11 0.00 0.00 175.55 174.26 2k0y s ASP 41 N 1.69 6.52 0.56 2.29 1.11 -1.26 -3.10 116.67 124.48 2k0y s ASP 41 Ca 0.06 1.07 0.30 0.00 0.18 0.00 0.00 52.55 54.15 2k0y s ASP 41 Cb -0.17 -2.29 1.46 0.00 1.07 0.00 0.00 42.92 42.98 2k0y s ASP 41 CO 0.09 -0.36 1.88 0.77 1.18 0.00 0.00 175.17 178.73 2k0y h SER 42 N 1.37 0.00 0.62 0.27 4.64 -1.94 -0.15 113.55 118.36 2k0y h SER 42 Ca -0.47 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 2k0y h SER 42 Cb 1.19 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2k0y h SER 42 CO 0.64 0.00 -0.30 0.25 -0.87 0.00 0.00 176.83 176.56 2k0y h LEU 43 N 0.00 -0.70 -1.32 5.97 7.12 -1.94 -0.81 115.31 123.62 2k0y h LEU 43 Ca 0.32 -0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.29 2k0y h LEU 43 Cb 1.47 0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 41.76 2k0y h LEU 43 CO -0.00 -0.37 0.26 0.00 -0.13 0.00 0.00 178.44 178.20 2k0y h ALA 44 N -0.82 1.48 -0.30 1.25 0.00 -1.72 -1.70 119.26 117.44 2k0y h ALA 44 Ca -0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2k0y h ALA 44 Cb 0.69 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2k0y h ALA 44 CO 0.14 0.42 0.05 1.25 0.00 0.00 0.00 179.25 181.11 2k0y h LEU 45 N 0.73 0.40 -1.44 0.00 5.85 -0.95 -1.45 115.31 118.46 2k0y h LEU 45 Ca 0.18 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 2k0y h LEU 45 Cb 0.06 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2k0y h LEU 45 CO -0.03 0.43 -0.28 0.24 -0.34 0.00 0.00 178.44 178.46 2k0y h MET 46 N 0.43 0.00 0.00 1.25 2.86 -0.17 -2.17 114.93 117.13 2k0y h MET 46 Ca 0.10 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 2k0y h MET 46 Cb 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2k0y h MET 46 CO -0.00 0.28 -0.26 1.49 1.06 0.00 0.00 176.91 179.48 2k0y h GLU 47 N 0.00 0.00 0.63 1.72 4.81 -1.24 0.57 114.58 121.08 2k0y h GLU 47 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2k0y h GLU 47 Cb 0.51 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.89 2k0y h GLU 47 CO 0.04 0.26 -0.30 1.15 -0.73 0.00 0.00 179.01 179.43 2k0y h THR 48 N 0.00 0.24 -0.89 0.32 2.02 -1.35 -1.66 112.91 111.58 2k0y h THR 48 Ca -0.00 -0.29 0.07 0.00 0.77 0.00 0.00 66.41 66.95 2k0y h THR 48 Cb 0.49 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 2k0y h THR 48 CO 0.03 0.03 0.58 0.00 0.37 0.00 0.00 175.52 176.53 2k0y h ALA 49 N -0.88 1.53 -0.56 6.16 0.00 -1.18 -2.56 119.26 121.78 2k0y h ALA 49 Ca -0.09 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2k0y h ALA 49 Cb 0.69 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2k0y h ALA 49 CO 0.14 0.33 0.28 0.00 0.00 0.00 0.00 179.25 180.00 2k0y h ALA 50 N 1.52 0.73 -0.61 0.00 0.00 0.46 0.46 119.26 121.83 2k0y h ALA 50 Ca 0.39 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.25 2k0y h ALA 50 Cb 0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2k0y h ALA 50 CO -0.15 -0.07 0.09 0.00 0.00 0.00 0.00 179.25 179.13 2k0y h ARG 51 N 0.54 0.98 -0.56 0.00 3.08 -0.92 -0.76 114.38 116.74 2k0y h ARG 51 Ca 0.25 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 2k0y h ARG 51 Cb 0.18 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2k0y h ARG 51 CO -0.18 0.91 0.05 -0.07 -1.07 0.00 0.00 179.97 179.60 2k0y h LEU 52 N 0.93 0.92 0.27 3.04 3.38 -0.91 0.26 115.31 123.20 2k0y h LEU 52 Ca 0.19 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2k0y h LEU 52 Cb 0.41 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2k0y h LEU 52 CO 0.01 0.98 -0.26 -0.33 0.09 0.00 0.00 178.44 178.93 2k0y h GLU 53 N 0.84 -0.54 -0.73 1.13 5.08 0.30 0.18 114.58 120.83 2k0y h GLU 53 Ca 0.16 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2k0y h GLU 53 Cb 0.48 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2k0y h GLU 53 CO 0.02 -0.36 0.34 1.03 -1.00 0.00 0.00 179.01 179.03 2k0y h SER 54 N -0.56 0.96 0.06 1.42 0.87 -0.99 0.49 113.55 115.79 2k0y h SER 54 Ca -0.01 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2k0y h SER 54 Cb 0.52 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2k0y h SER 54 CO -0.05 0.82 -0.03 -0.09 -0.53 0.00 0.00 176.83 176.95 2k0y h ARG 55 N 1.04 -0.08 0.00 2.24 2.43 -0.74 -3.35 114.38 115.92 2k0y h ARG 55 Ca 0.25 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2k0y h ARG 55 Cb 0.13 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2k0y h ARG 55 CO -0.03 0.31 -0.85 0.66 -1.51 0.00 0.00 179.97 178.55 2k0y n TYR 56 N -4.94 0.15 -1.08 2.20 4.01 0.03 -4.93 117.16 112.60 2k0y n TYR 56 Ca -0.08 0.04 -0.03 0.00 -0.16 0.00 0.00 57.90 57.67 2k0y n TYR 56 Cb 0.22 -0.31 -0.01 0.00 -0.31 0.00 0.00 39.34 38.93 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 1.43 0.60 3.80 2.72 0.00 0.17 -5.00 105.19 108.92 2k0y n GLY 57 Ca 0.03 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.07 5.38 -0.29 1.61 0.11 -1.14 -5.03 120.40 118.97 2k0y s VAL 58 Ca 0.00 0.35 -0.18 0.00 -2.93 0.00 0.00 61.98 59.22 2k0y s VAL 58 Cb 0.00 -3.51 -0.02 0.00 -1.53 0.00 0.00 36.38 31.32 2k0y s VAL 58 CO 0.00 0.52 0.51 -0.44 -3.33 0.00 0.00 175.10 172.35 2k0y s SER 59 N -0.32 6.39 -0.29 3.54 0.01 -1.26 -4.21 113.70 117.55 2k0y s SER 59 Ca 0.14 0.35 -0.10 0.00 1.31 0.00 0.00 55.95 57.65 2k0y s SER 59 Cb -0.12 -2.27 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 2k0y s SER 59 CO 0.03 -0.34 0.15 -0.63 0.41 0.00 0.00 173.24 172.86 2k0y s ILE 60 N 2.34 4.77 0.13 1.44 1.01 -1.26 -5.05 121.20 124.57 2k0y s ILE 60 Ca 0.20 -0.21 -0.33 0.00 0.00 0.00 0.00 60.65 60.31 2k0y s ILE 60 Cb -0.16 -3.35 -0.13 0.00 0.01 0.00 0.00 42.46 38.83 2k0y s ILE 60 CO 0.11 0.16 1.66 -2.65 0.00 0.00 0.00 174.94 174.22 2k0y n PRO 61 N 5.00 2.30 -0.33 2.79 -0.02 -1.26 -4.81 135.00 138.68 2k0y n PRO 61 Ca -0.14 0.83 0.15 0.00 -2.02 0.00 0.00 63.50 62.32 2k0y n PRO 61 Cb 0.50 -2.63 0.37 0.00 -0.02 0.00 0.00 33.50 31.72 2k0y n PRO 61 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2k0y h ASP 62 N 6.74 0.69 -0.27 2.55 5.19 -1.98 0.22 116.42 129.56 2k0y h ASP 62 Ca -0.45 0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 55.99 2k0y h ASP 62 Cb 1.25 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 2k0y h ASP 62 CO 0.91 0.25 -0.02 0.44 -3.12 0.00 0.00 179.24 177.69 2k0y h ASP 63 N 0.68 0.50 0.09 6.45 3.32 -1.96 -2.95 116.42 122.54 2k0y h ASP 63 Ca 0.56 -0.33 -0.17 0.00 0.02 0.00 0.00 57.03 57.11 2k0y h ASP 63 Cb 0.99 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 2k0y h ASP 63 CO -0.33 0.71 -0.61 0.58 -1.72 0.00 0.00 179.24 177.86 2k0y h VAL 64 N 0.27 1.33 -0.49 -1.35 2.07 -1.48 -1.31 116.25 115.29 2k0y h VAL 64 Ca 0.07 -1.90 0.10 0.00 0.82 0.00 0.00 66.70 65.79 2k0y h VAL 64 Cb 0.47 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 2k0y h VAL 64 CO 0.02 0.59 0.34 0.00 0.02 0.00 0.00 177.57 178.53 2k0y h ALA 65 N 0.94 2.14 -0.11 1.67 0.00 -0.58 -1.00 119.26 122.33 2k0y h ALA 65 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2k0y h ALA 65 Cb 1.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2k0y h ALA 65 CO 0.11 -0.26 -0.10 0.41 0.00 0.00 0.00 179.25 179.41 2k0y n GLY 66 N -1.55 4.74 0.03 0.00 0.00 -1.03 -4.41 105.19 102.96 2k0y n GLY 66 Ca 0.08 -1.16 0.06 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.13 0.68 -2.52 1.61 0.63 -0.38 -4.78 116.66 110.76 2k0y n ARG 67 Ca 0.20 -0.15 -0.42 0.00 -0.92 0.00 0.00 57.85 56.56 2k0y n ARG 67 Cb 0.76 -1.49 -0.03 0.00 0.45 0.00 0.00 32.46 32.15 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 -3.22 4.27 -0.19 5.15 -7.23 -1.20 -4.95 120.40 113.03 2k0y s VAL 68 Ca -0.08 1.67 -0.23 0.00 -1.81 0.00 0.00 61.98 61.53 2k0y s VAL 68 Cb 0.12 -4.07 -0.21 0.00 0.56 0.00 0.00 36.38 32.78 2k0y s VAL 68 CO 0.84 0.15 0.35 0.44 -0.31 0.00 0.00 175.10 176.57 2k0y h ASP 69 N 6.57 0.00 -3.38 4.85 5.19 -1.95 -3.46 116.42 124.24 2k0y h ASP 69 Ca -0.42 -0.62 -0.65 0.00 -0.62 0.00 0.00 57.03 54.71 2k0y h ASP 69 Cb 1.22 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.60 2k0y h ASP 69 CO 0.78 1.37 -0.67 0.42 -3.12 0.00 0.00 179.24 178.02 2k0y s THR 70 N -2.33 3.96 0.33 0.35 -4.23 -1.26 -2.11 115.64 110.34 2k0y s THR 70 Ca -0.26 -0.97 0.08 0.00 -1.18 0.00 0.00 61.69 59.36 2k0y s THR 70 Cb 0.04 -2.87 0.32 0.00 1.34 0.00 0.00 72.50 71.33 2k0y s THR 70 CO 0.61 0.15 1.80 -0.65 -0.54 0.00 0.00 174.62 176.00 2k0y h PRO 71 N 3.58 0.69 -0.73 3.99 0.11 -1.76 -0.94 132.00 136.94 2k0y h PRO 71 Ca -0.48 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 65.70 2k0y h PRO 71 Cb 1.17 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 2k0y h PRO 71 CO 0.59 0.46 0.48 0.07 -0.21 0.00 0.00 178.00 179.39 2k0y h ARG 72 N 0.71 0.54 0.05 1.05 0.11 -1.92 0.48 114.38 115.40 2k0y h ARG 72 Ca 0.55 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.59 2k0y h ARG 72 Cb 0.91 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.87 2k0y h ARG 72 CO -0.32 0.36 -0.02 0.93 0.10 0.00 0.00 179.97 181.01 2k0y h GLU 73 N 0.55 -0.07 -0.16 0.08 4.39 -1.51 -1.62 114.58 116.24 2k0y h GLU 73 Ca 0.35 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 2k0y h GLU 73 Cb 0.59 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2k0y h GLU 73 CO -0.12 0.13 -0.01 1.25 -1.16 0.00 0.00 179.01 179.10 2k0y h LEU 74 N -0.26 0.29 -0.27 1.33 7.12 -1.28 -1.30 115.31 120.96 2k0y h LEU 74 Ca -0.01 -0.33 0.04 0.00 0.13 0.00 0.00 57.88 57.71 2k0y h LEU 74 Cb 0.23 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.24 2k0y h LEU 74 CO 0.01 0.55 0.04 0.25 -0.13 0.00 0.00 178.44 179.17 2k0y h LEU 75 N 0.03 -0.01 -0.35 2.25 5.85 -0.11 -0.47 115.31 122.52 2k0y h LEU 75 Ca 0.05 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 2k0y h LEU 75 Cb 0.41 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2k0y h LEU 75 CO 0.01 0.03 -0.03 -0.78 -0.34 0.00 0.00 178.44 177.33 2k0y h ASP 76 N 0.14 0.63 -0.21 1.25 3.58 -1.19 0.18 116.42 120.80 2k0y h ASP 76 Ca 0.12 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.24 2k0y h ASP 76 Cb 0.13 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 2k0y h ASP 76 CO -0.17 0.81 0.14 0.25 -2.88 0.00 0.00 179.24 177.39 2k0y h LEU 77 N 0.44 0.24 -0.50 2.28 7.12 -1.00 -0.89 115.31 123.00 2k0y h LEU 77 Ca 0.09 -0.01 -0.17 0.00 0.13 0.00 0.00 57.88 57.93 2k0y h LEU 77 Cb 0.50 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.57 2k0y h LEU 77 CO 0.02 0.18 -0.63 0.40 -0.13 0.00 0.00 178.44 178.29 2k0y h ILE 78 N 0.28 1.35 -0.66 4.05 2.04 -0.99 -2.20 117.51 121.38 2k0y h ILE 78 Ca 0.08 -1.95 0.05 0.00 1.00 0.00 0.00 64.86 64.04 2k0y h ILE 78 Cb -0.03 1.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 2k0y h ILE 78 CO -0.02 0.59 0.37 0.78 0.00 0.00 0.00 178.15 179.88 2k0y h ASN 79 N 0.33 0.57 -0.54 1.72 -0.26 -0.25 0.24 115.58 117.38 2k0y h ASN 79 Ca -0.01 0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.72 2k0y h ASN 79 Cb 1.17 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 38.32 2k0y h ASN 79 CO 0.11 0.37 0.22 1.23 -1.06 0.00 0.00 177.43 178.30 2k0y h GLY 80 N 0.70 0.86 2.00 2.83 0.00 -1.04 0.69 103.07 109.12 2k0y h GLY 80 Ca 0.29 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 2k0y h GLY 80 CO -0.17 0.44 -0.25 0.00 0.00 0.00 0.00 176.54 176.57 2k0y h ALA 81 N 1.06 1.17 0.22 3.60 0.00 -0.70 -1.13 119.26 123.48 2k0y h ALA 81 Ca 0.18 -0.23 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 2k0y h ALA 81 Cb 0.19 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 17.98 2k0y h ALA 81 CO -0.02 0.31 -1.35 -0.07 0.00 0.00 0.00 179.25 178.12 2k0y h LEU 82 N 0.00 0.81 -1.34 0.00 3.38 -0.13 -2.80 115.31 115.24 2k0y h LEU 82 Ca -0.00 -0.91 -0.03 0.00 0.09 0.00 0.00 57.88 57.03 2k0y h LEU 82 Cb 0.62 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2k0y h LEU 82 CO 0.03 1.65 0.07 0.00 0.09 0.00 0.00 178.44 180.28 2k0y h ALA 83 N 0.17 1.47 -0.08 1.53 0.00 -0.49 -1.36 119.26 120.50 2k0y h ALA 83 Ca -0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2k0y h ALA 83 Cb 2.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2k0y h ALA 83 CO 0.25 0.39 0.00 0.39 0.00 0.00 0.00 179.25 180.28 2k0y n GLU 84 N -4.33 1.44 -2.99 0.00 1.02 -0.46 -4.69 120.64 110.63 2k0y n GLU 84 Ca 0.02 -0.66 -0.44 0.00 -0.02 0.00 0.00 57.16 56.05 2k0y n GLU 84 Cb 0.19 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.21 2k0y n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k0y s ALA 85 N -1.90 3.46 0.00 0.62 0.00 -0.51 -5.04 121.76 118.39 2k0y s ALA 85 Ca 0.33 -2.80 0.00 0.00 0.00 0.00 0.00 51.96 49.49 2k0y s ALA 85 Cb 0.17 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2k0y s ALA 85 CO 0.26 -2.85 0.00 0.00 0.00 0.00 0.00 175.76 173.17