#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 3.09 -0.54 3.04 0.00 -1.26 -5.01 121.76 121.08 2k0y s ALA 2 Ca 0.00 -2.71 -0.28 0.00 0.00 0.00 0.00 51.96 48.96 2k0y s ALA 2 Cb 0.00 -2.19 0.02 0.00 0.00 0.00 0.00 23.12 20.95 2k0y s ALA 2 CO 0.00 -1.81 1.30 0.99 0.00 0.00 0.00 175.76 176.25 2k0y s THR 3 N 0.71 3.93 0.45 0.00 2.01 -1.26 -4.97 115.64 116.51 2k0y s THR 3 Ca 0.12 0.85 -0.08 0.00 0.31 0.00 0.00 61.69 62.88 2k0y s THR 3 Cb -0.21 -4.53 -0.05 0.00 0.01 0.00 0.00 72.50 67.72 2k0y s THR 3 CO -0.05 -1.16 0.79 -0.22 -0.69 0.00 0.00 174.62 173.28 2k0y s LEU 4 N 5.41 3.69 -0.20 4.42 2.96 -1.26 -5.05 118.68 128.66 2k0y s LEU 4 Ca 0.50 1.05 -0.06 0.00 -0.22 0.00 0.00 54.13 55.39 2k0y s LEU 4 Cb -0.09 -3.97 -0.03 0.00 0.50 0.00 0.00 46.19 42.59 2k0y s LEU 4 CO 0.27 -0.52 0.02 -0.76 -1.32 0.00 0.00 176.35 174.05 2k0y s LEU 5 N -4.37 3.45 0.00 -0.68 1.43 -1.26 -4.96 118.68 112.29 2k0y s LEU 5 Ca 0.49 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 2k0y s LEU 5 Cb -0.10 -1.88 0.05 0.00 0.03 0.00 0.00 46.19 44.29 2k0y s LEU 5 CO 0.39 0.10 0.34 0.35 0.23 0.00 0.00 176.35 177.76 2k0y n THR 6 N 4.03 0.00 -0.12 5.49 -2.24 -1.26 -4.82 114.28 115.35 2k0y n THR 6 Ca -0.17 -0.56 -0.06 0.00 -2.27 0.00 0.00 64.05 61.00 2k0y n THR 6 Cb 0.52 -1.16 0.03 0.00 -2.10 0.00 0.00 70.33 67.61 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 -0.39 0.91 -0.31 4.28 2.02 -1.99 0.72 112.91 118.15 2k0y h THR 7 Ca -0.11 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 66.97 2k0y h THR 7 Cb 0.42 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2k0y h THR 7 CO 0.12 0.06 0.16 -0.78 0.37 0.00 0.00 175.52 175.46 2k0y h ASP 8 N 0.33 0.25 0.10 4.18 3.58 -1.91 0.52 116.42 123.47 2k0y h ASP 8 Ca 0.18 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.57 2k0y h ASP 8 Cb 0.14 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 2k0y h ASP 8 CO -0.16 0.19 -0.24 0.44 -2.88 0.00 0.00 179.24 176.58 2k0y h ASP 9 N 0.34 0.24 -0.16 2.28 3.32 -1.82 -1.03 116.42 119.59 2k0y h ASP 9 Ca 0.13 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 2k0y h ASP 9 Cb 0.03 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2k0y h ASP 9 CO -0.08 0.50 -0.07 0.25 -1.72 0.00 0.00 179.24 178.12 2k0y h LEU 10 N 0.23 0.34 -0.52 1.55 5.85 -0.46 -2.94 115.31 119.36 2k0y h LEU 10 Ca 0.04 -0.40 0.10 0.00 0.84 0.00 0.00 57.88 58.46 2k0y h LEU 10 Cb 0.56 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 2k0y h LEU 10 CO 0.04 0.66 0.01 -0.09 -0.34 0.00 0.00 178.44 178.72 2k0y h ARG 11 N 0.01 0.12 -0.78 1.25 2.43 -0.21 -1.76 114.38 115.45 2k0y h ARG 11 Ca 0.04 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.32 2k0y h ARG 11 Cb 0.53 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.97 2k0y h ARG 11 CO 0.02 0.08 0.39 -0.09 -1.51 0.00 0.00 179.97 178.86 2k0y h ARG 12 N 0.13 0.59 -0.77 0.20 2.43 -1.14 -0.33 114.38 115.48 2k0y h ARG 12 Ca 0.26 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 2k0y h ARG 12 Cb 0.40 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 2k0y h ARG 12 CO -0.42 0.39 0.34 0.00 -1.51 0.00 0.00 179.97 178.77 2k0y h ALA 13 N 1.49 1.00 -0.47 2.80 0.00 -1.15 0.20 119.26 123.13 2k0y h ALA 13 Ca 0.40 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2k0y h ALA 13 Cb 0.50 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2k0y h ALA 13 CO -0.32 0.59 -0.06 -0.07 0.00 0.00 0.00 179.25 179.39 2k0y h LEU 14 N 1.10 0.80 -0.48 0.00 4.07 -0.89 -1.35 115.31 118.56 2k0y h LEU 14 Ca 0.26 -0.22 -0.17 0.00 0.08 0.00 0.00 57.88 57.83 2k0y h LEU 14 Cb 0.16 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.69 2k0y h LEU 14 CO -0.03 0.90 -0.57 0.58 -1.08 0.00 0.00 178.44 178.24 2k0y h VAL 15 N 0.75 1.32 -0.31 1.22 2.07 -0.35 0.26 116.25 121.20 2k0y h VAL 15 Ca 0.13 -1.82 -0.05 0.00 0.82 0.00 0.00 66.70 65.78 2k0y h VAL 15 Cb 0.53 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 2k0y h VAL 15 CO 0.03 0.57 -0.02 -0.33 0.02 0.00 0.00 177.57 177.84 2k0y h GLU 16 N 0.44 0.49 0.00 1.57 4.39 -0.35 0.23 114.58 121.36 2k0y h GLU 16 Ca 0.00 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 2k0y h GLU 16 Cb 1.12 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 2k0y h GLU 16 CO 0.11 0.53 -0.44 1.03 -1.16 0.00 0.00 179.01 179.08 2k0y h SER 17 N 0.47 0.00 -0.06 1.42 0.87 -0.93 -3.40 113.55 111.93 2k0y h SER 17 Ca 0.10 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 2k0y h SER 17 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2k0y h SER 17 CO 0.01 1.05 0.00 0.00 -0.53 0.00 0.00 176.83 177.37 2k0y n ALA 18 N -2.98 2.46 -0.43 6.23 0.00 0.88 -5.05 120.51 121.61 2k0y n ALA 18 Ca -0.15 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2k0y n ALA 18 Cb 0.45 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.35 2k0y n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k0y n GLY 19 N 0.92 0.51 1.57 0.00 0.00 0.81 -2.72 105.19 106.27 2k0y n GLY 19 Ca 0.10 -0.85 0.10 0.00 0.00 0.00 0.00 46.02 45.37 2k0y n GLY 19 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k0y n GLU 20 N 3.06 3.53 0.00 1.61 0.00 -1.26 -4.26 120.64 123.32 2k0y n GLU 20 Ca 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 57.16 54.30 2k0y n GLU 20 Cb 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 31.44 29.61 2k0y n GLU 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2k0y n THR 21 N 1.30 0.00 -2.86 3.84 -1.04 -1.10 -4.42 114.28 110.00 2k0y n THR 21 Ca 0.26 0.90 -0.43 0.00 -2.04 0.00 0.00 64.05 62.74 2k0y n THR 21 Cb 0.84 -1.84 -0.04 0.00 -1.82 0.00 0.00 70.33 67.46 2k0y n THR 21 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2k0y s ASP 22 N -2.42 6.40 0.00 8.00 1.11 -1.23 -4.66 116.67 123.87 2k0y s ASP 22 Ca 0.00 -0.16 0.00 0.00 0.18 0.00 0.00 52.55 52.57 2k0y s ASP 22 Cb 0.00 -2.43 0.00 0.00 1.07 0.00 0.00 42.92 41.56 2k0y s ASP 22 CO 0.00 -1.10 0.00 0.61 1.18 0.00 0.00 175.17 175.86 2k0y n GLY 23 N 5.03 -1.80 3.41 0.21 0.00 -1.26 -4.68 105.19 106.10 2k0y n GLY 23 Ca 0.03 0.73 -0.45 0.00 0.00 0.00 0.00 46.02 46.34 2k0y n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0y s THR 24 N 0.00 5.33 -0.29 2.61 2.01 -1.26 -4.40 115.64 119.64 2k0y s THR 24 Ca 0.00 -2.65 -0.02 0.00 0.31 0.00 0.00 61.69 59.33 2k0y s THR 24 Cb 0.00 -4.75 -0.02 0.00 0.01 0.00 0.00 72.50 67.74 2k0y s THR 24 CO 0.00 -1.41 0.26 0.47 -0.69 0.00 0.00 174.62 173.25 2k0y n ASP 25 N 4.77 -3.30 -0.47 3.53 9.92 -1.26 -4.98 116.55 124.76 2k0y n ASP 25 Ca 0.28 -0.20 0.11 0.00 -0.53 0.00 0.00 54.79 54.45 2k0y n ASP 25 Cb 0.43 -1.82 -0.01 0.00 -0.64 0.00 0.00 41.12 39.08 2k0y n ASP 25 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2k0y n LEU 26 N -1.97 1.97 -4.76 0.64 4.32 -1.26 -4.77 117.00 111.16 2k0y n LEU 26 Ca -0.02 -0.74 -0.41 0.00 -0.02 0.00 0.00 56.01 54.82 2k0y n LEU 26 Cb 0.53 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.30 2k0y n LEU 26 CO 0.16 0.37 0.88 -0.44 -1.22 0.00 0.00 177.39 177.14 2k0y s SER 27 N -2.50 7.05 0.58 -1.43 0.01 -1.26 -4.38 113.70 111.76 2k0y s SER 27 Ca 0.18 2.43 0.00 0.00 1.31 0.00 0.00 55.95 59.86 2k0y s SER 27 Cb 0.18 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2k0y s SER 27 CO 0.59 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.52 2k0y n GLY 28 N 1.21 1.59 2.94 3.44 0.00 -1.26 -4.66 105.19 108.45 2k0y n GLY 28 Ca 0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 3.38 0.00 1.61 1.01 -1.26 -4.48 116.67 112.93 2k0y s ASP 29 Ca 0.00 -0.92 0.08 0.00 0.71 0.00 0.00 52.55 52.42 2k0y s ASP 29 Cb 0.00 -1.11 0.23 0.00 1.01 0.00 0.00 42.92 43.05 2k0y s ASP 29 CO 0.00 -0.19 1.19 2.22 0.21 0.00 0.00 175.17 178.60 2k0y n PHE 30 N 4.74 0.35 0.13 4.23 -1.74 -1.26 -4.72 117.46 119.19 2k0y n PHE 30 Ca -0.13 -0.50 0.19 0.00 -0.56 0.00 0.00 57.45 56.46 2k0y n PHE 30 Cb 0.46 -0.03 0.75 0.00 1.52 0.00 0.00 39.48 42.18 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 1.56 0.00 0.00 5.98 3.38 -1.93 -0.25 115.31 124.06 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 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2k0y h LEU 31 CO 0.00 0.00 -1.32 0.47 0.09 0.00 0.00 178.44 177.68 2k0y n ASP 32 N -3.58 0.58 -4.69 -0.43 8.00 -1.26 -2.30 116.55 112.87 2k0y n ASP 32 Ca 0.06 0.22 -0.42 0.00 0.71 0.00 0.00 54.79 55.35 2k0y n ASP 32 Cb 0.58 0.94 -0.03 0.00 -0.02 0.00 0.00 41.12 42.60 2k0y n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k0y s LEU 33 N -5.08 4.25 0.18 0.64 1.02 -0.10 -4.91 118.68 114.68 2k0y s LEU 33 Ca -0.03 1.65 -0.30 0.00 0.02 0.00 0.00 54.13 55.48 2k0y s LEU 33 Cb 0.11 -3.56 -0.08 0.00 0.02 0.00 0.00 46.19 42.69 2k0y s LEU 33 CO 0.83 -0.52 1.12 -0.13 0.02 0.00 0.00 176.35 177.67 2k0y s ARG 34 N 2.18 4.57 0.17 1.70 0.52 -1.26 -4.25 118.95 122.58 2k0y s ARG 34 Ca 0.52 1.76 -0.14 0.00 -0.52 0.00 0.00 55.73 57.34 2k0y s ARG 34 Cb -0.21 -3.27 0.11 0.00 0.52 0.00 0.00 34.95 32.10 2k0y s ARG 34 CO 0.19 0.03 1.77 0.74 0.02 0.00 0.00 175.30 178.05 2k0y h PHE 35 N 5.14 0.35 -0.42 -0.53 0.04 -1.63 -0.34 116.94 119.54 2k0y h PHE 35 Ca -0.44 0.02 0.12 0.00 2.80 0.00 0.00 57.97 60.47 2k0y h PHE 35 Cb 1.21 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 39.25 2k0y h PHE 35 CO 0.62 0.16 0.34 0.93 -0.60 0.00 0.00 178.31 179.76 2k0y h GLU 36 N 0.39 0.00 0.05 1.51 4.39 -1.82 -0.62 114.58 118.49 2k0y h GLU 36 Ca 0.20 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.62 2k0y h GLU 36 Cb 0.15 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 2k0y h GLU 36 CO -0.17 0.00 -1.50 0.22 -1.16 0.00 0.00 179.01 176.40 2k0y h ASP 37 N 0.00 0.18 -0.81 1.42 3.58 -1.35 -3.37 116.42 116.07 2k0y h ASP 37 Ca 0.20 -0.27 -0.43 0.00 0.42 0.00 0.00 57.03 56.95 2k0y h ASP 37 Cb 0.87 -0.06 -0.25 0.00 1.72 0.00 0.00 39.33 41.62 2k0y h ASP 37 CO -0.00 1.23 0.54 2.30 -2.88 0.00 0.00 179.24 180.43 2k0y n ILE 38 N -3.30 2.82 0.00 2.25 -5.35 -0.43 -4.84 119.36 110.51 2k0y n ILE 38 Ca -0.14 -1.60 0.00 0.00 -0.27 0.00 0.00 62.75 60.74 2k0y n ILE 38 Cb 1.02 -0.60 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 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 -0.83 2.53 3.89 3.28 0.00 -1.18 -4.57 105.19 108.32 2k0y n GLY 39 Ca 0.49 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.42 3.35 -0.00 1.61 1.51 -0.37 -4.99 117.35 116.04 2k0y s TYR 40 Ca 0.00 0.98 0.02 0.00 -1.01 0.00 0.00 57.07 57.06 2k0y s TYR 40 Cb 0.00 -2.94 -0.01 0.00 -0.11 0.00 0.00 41.96 38.91 2k0y s TYR 40 CO 0.00 -1.02 -0.06 -0.51 -1.11 0.00 0.00 175.55 172.85 2k0y s ASP 41 N -4.32 0.71 0.49 2.29 1.01 -1.26 -3.54 116.67 112.05 2k0y s ASP 41 Ca 0.57 -0.14 0.29 0.00 0.71 0.00 0.00 52.55 53.97 2k0y s ASP 41 Cb -0.11 -0.07 1.38 0.00 1.01 0.00 0.00 42.92 45.13 2k0y s ASP 41 CO 0.50 0.05 1.79 0.77 0.21 0.00 0.00 175.17 178.50 2k0y h SER 42 N 5.87 0.17 0.05 0.27 4.64 -1.93 -0.22 113.55 122.41 2k0y h SER 42 Ca -0.29 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2k0y h SER 42 Cb 1.19 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2k0y h SER 42 CO 0.49 0.03 -0.02 0.25 -0.87 0.00 0.00 176.83 176.71 2k0y h LEU 43 N 0.15 -0.06 -1.20 5.97 6.46 -1.93 -1.19 115.31 123.52 2k0y h LEU 43 Ca 0.57 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 58.07 2k0y h LEU 43 Cb 1.95 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 41.87 2k0y h LEU 43 CO -0.13 0.20 0.20 0.00 -0.62 0.00 0.00 178.44 178.09 2k0y h ALA 44 N 0.62 1.37 -0.67 1.25 0.00 -1.60 -1.88 119.26 118.35 2k0y h ALA 44 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2k0y h ALA 44 Cb 0.28 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2k0y h ALA 44 CO 0.01 0.47 0.37 1.25 0.00 0.00 0.00 179.25 181.35 2k0y h LEU 45 N 0.75 0.82 -1.42 0.00 5.85 -0.88 -1.80 115.31 118.62 2k0y h LEU 45 Ca 0.18 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2k0y h LEU 45 Cb 0.17 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2k0y h LEU 45 CO -0.02 0.66 -0.00 0.24 -0.34 0.00 0.00 178.44 178.98 2k0y h MET 46 N 0.93 0.37 -0.53 1.25 2.86 -0.36 0.16 114.93 119.61 2k0y h MET 46 Ca 0.24 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.74 2k0y h MET 46 Cb 0.02 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2k0y h MET 46 CO -0.04 0.41 0.06 1.49 1.06 0.00 0.00 176.91 179.89 2k0y h GLU 47 N 0.37 0.85 0.31 1.72 4.57 -1.28 0.51 114.58 121.63 2k0y h GLU 47 Ca 0.08 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 2k0y h GLU 47 Cb 0.25 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2k0y h GLU 47 CO 0.01 0.81 -0.15 1.15 -1.18 0.00 0.00 179.01 179.65 2k0y h THR 48 N 0.81 0.69 -0.61 0.32 2.02 -1.15 -1.23 112.91 113.75 2k0y h THR 48 Ca 0.17 -0.60 0.06 0.00 0.77 0.00 0.00 66.41 66.81 2k0y h THR 48 Cb 0.39 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 2k0y h THR 48 CO 0.01 0.11 0.40 0.00 0.37 0.00 0.00 175.52 176.42 2k0y h ALA 49 N -0.22 1.82 -0.83 6.16 0.00 -0.86 -1.48 119.26 123.85 2k0y h ALA 49 Ca -0.04 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2k0y h ALA 49 Cb 0.50 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2k0y h ALA 49 CO 0.07 0.08 0.53 0.00 0.00 0.00 0.00 179.25 179.93 2k0y h ALA 50 N 1.67 1.08 -0.65 0.00 0.00 0.49 0.27 119.26 122.13 2k0y h ALA 50 Ca 0.26 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2k0y h ALA 50 Cb 0.30 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2k0y h ALA 50 CO -0.08 0.38 0.13 0.00 0.00 0.00 0.00 179.25 179.68 2k0y h ARG 51 N 1.05 1.06 -0.67 0.00 3.08 -0.23 -0.82 114.38 117.85 2k0y h ARG 51 Ca 0.33 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 2k0y h ARG 51 Cb -0.02 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 2k0y h ARG 51 CO -0.10 0.97 0.21 -0.07 -1.07 0.00 0.00 179.97 179.91 2k0y h LEU 52 N 0.98 0.97 0.25 3.04 3.38 -0.59 0.40 115.31 123.74 2k0y h LEU 52 Ca 0.20 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k0y h LEU 52 Cb 0.41 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2k0y h LEU 52 CO 0.01 0.92 -0.27 -0.33 0.09 0.00 0.00 178.44 178.85 2k0y h GLU 53 N 0.98 -0.55 -0.58 1.13 5.08 -0.21 -1.19 114.58 119.24 2k0y h GLU 53 Ca 0.22 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 2k0y h GLU 53 Cb 0.29 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2k0y h GLU 53 CO -0.01 -0.36 0.19 1.03 -1.00 0.00 0.00 179.01 178.86 2k0y h SER 54 N -0.57 0.83 0.14 1.42 0.87 -0.87 -0.02 113.55 115.36 2k0y h SER 54 Ca -0.00 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 2k0y h SER 54 Cb 0.53 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2k0y h SER 54 CO -0.07 0.81 -0.07 -0.09 -0.53 0.00 0.00 176.83 176.88 2k0y h ARG 55 N 0.81 -0.19 -0.00 2.24 1.12 -0.10 -3.29 114.38 114.97 2k0y h ARG 55 Ca 0.19 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.07 2k0y h ARG 55 Cb 0.27 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.27 2k0y h ARG 55 CO -0.01 0.08 -0.53 0.66 -3.11 0.00 0.00 179.97 177.07 2k0y n TYR 56 N -5.06 0.00 -1.96 2.20 4.01 -0.46 -4.96 117.16 110.93 2k0y n TYR 56 Ca -0.09 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.64 2k0y n TYR 56 Cb 0.19 -0.12 0.01 0.00 -0.31 0.00 0.00 39.34 39.11 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 1.44 0.49 3.27 2.72 0.00 -0.19 -5.07 105.19 107.85 2k0y n GLY 57 Ca 0.08 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.04 0.03 -0.02 1.61 0.11 -0.23 -5.05 120.40 113.82 2k0y s VAL 58 Ca 0.02 -2.00 -0.02 0.00 -2.93 0.00 0.00 61.98 57.05 2k0y s VAL 58 Cb -0.00 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.36 2k0y s VAL 58 CO 0.08 0.00 0.06 -0.94 -3.33 0.00 0.00 175.10 170.97 2k0y s SER 59 N -3.32 -0.05 -0.12 3.54 1.04 -1.26 -4.39 113.70 109.14 2k0y s SER 59 Ca 0.40 0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.92 2k0y s SER 59 Cb 0.04 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.31 2k0y s SER 59 CO 0.22 -0.05 -0.13 -0.63 0.98 0.00 0.00 173.24 173.63 2k0y s ILE 60 N -0.10 1.39 0.17 -1.02 1.01 -1.26 -5.08 121.20 116.31 2k0y s ILE 60 Ca -0.01 -0.55 -0.32 0.00 0.00 0.00 0.00 60.65 59.77 2k0y s ILE 60 Cb -0.01 -1.30 -0.12 0.00 0.01 0.00 0.00 42.46 41.04 2k0y s ILE 60 CO 0.00 0.42 1.77 -2.65 0.00 0.00 0.00 174.94 174.48 2k0y n PRO 61 N 4.47 2.76 0.03 2.79 -0.02 -1.26 -4.79 135.00 138.97 2k0y n PRO 61 Ca -0.18 1.00 0.21 0.00 -2.02 0.00 0.00 63.50 62.51 2k0y n PRO 61 Cb 0.51 -2.86 0.73 0.00 -0.02 0.00 0.00 33.50 31.86 2k0y n PRO 61 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2k0y h ASP 62 N 7.45 0.00 -0.29 2.55 2.03 -1.99 0.21 116.42 126.38 2k0y h ASP 62 Ca -0.44 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 55.79 2k0y h ASP 62 Cb 1.21 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.70 2k0y h ASP 62 CO 0.95 0.00 -0.06 -0.78 -1.03 0.00 0.00 179.24 178.32 2k0y h ASP 63 N 0.00 0.56 -0.15 4.15 3.58 -1.97 -1.76 116.42 120.82 2k0y h ASP 63 Ca 0.24 -0.35 -0.17 0.00 0.42 0.00 0.00 57.03 57.16 2k0y h ASP 63 Cb 1.09 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.99 2k0y h ASP 63 CO -0.00 0.78 -0.58 0.58 -2.88 0.00 0.00 179.24 177.14 2k0y h VAL 64 N 0.32 1.32 -0.16 2.25 2.07 -1.35 -1.09 116.25 119.62 2k0y h VAL 64 Ca 0.08 -1.83 0.05 0.00 0.82 0.00 0.00 66.70 65.81 2k0y h VAL 64 Cb 0.53 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 2k0y h VAL 64 CO 0.03 0.57 0.14 0.00 0.02 0.00 0.00 177.57 178.32 2k0y h ALA 65 N 0.54 1.95 -0.02 1.67 0.00 -0.67 0.48 119.26 123.22 2k0y h ALA 65 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k0y h ALA 65 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2k0y h ALA 65 CO 0.12 -0.22 -0.13 0.41 0.00 0.00 0.00 179.25 179.44 2k0y n GLY 66 N -1.48 0.39 0.00 0.00 0.00 -0.67 -4.33 105.19 99.11 2k0y n GLY 66 Ca 0.01 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 0.74 0.04 -2.54 1.61 3.00 0.09 -4.80 116.66 114.79 2k0y n ARG 67 Ca 0.10 -0.01 -0.42 0.00 -0.00 0.00 0.00 57.85 57.53 2k0y n ARG 67 Cb 0.47 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.40 2k0y n ARG 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2k0y s VAL 68 N -3.03 3.87 -0.07 5.15 -7.23 -0.75 -4.82 120.40 113.52 2k0y s VAL 68 Ca 0.07 0.69 -0.10 0.00 -1.81 0.00 0.00 61.98 60.83 2k0y s VAL 68 Cb 0.16 -4.74 -0.29 0.00 0.56 0.00 0.00 36.38 32.07 2k0y s VAL 68 CO 0.87 -1.49 0.57 0.44 -0.31 0.00 0.00 175.10 175.17 2k0y h ASP 69 N 10.01 0.54 -3.33 4.85 5.19 -1.92 -3.46 116.42 128.30 2k0y h ASP 69 Ca -0.26 -0.94 -0.65 0.00 -0.62 0.00 0.00 57.03 54.56 2k0y h ASP 69 Cb 1.06 -0.18 -0.19 0.00 0.18 0.00 0.00 39.33 40.20 2k0y h ASP 69 CO 1.22 1.80 -0.64 0.42 -3.12 0.00 0.00 179.24 178.92 2k0y s THR 70 N -2.56 4.11 0.50 0.35 -4.23 -1.26 -1.65 115.64 110.90 2k0y s THR 70 Ca -0.18 -0.29 0.28 0.00 -1.18 0.00 0.00 61.69 60.31 2k0y s THR 70 Cb 0.06 -2.78 0.46 0.00 1.34 0.00 0.00 72.50 71.57 2k0y s THR 70 CO 0.82 0.52 1.86 -0.65 -0.54 0.00 0.00 174.62 176.63 2k0y h PRO 71 N 6.23 0.12 -0.48 3.99 0.11 -1.69 -1.22 132.00 139.06 2k0y h PRO 71 Ca -0.38 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.81 2k0y h PRO 71 Cb 1.19 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 2k0y h PRO 71 CO 0.61 0.08 0.05 0.07 -0.21 0.00 0.00 178.00 178.60 2k0y h ARG 72 N 0.13 0.16 -0.53 1.05 0.11 -1.79 0.37 114.38 113.88 2k0y h ARG 72 Ca 0.47 -0.01 -0.08 0.00 0.10 0.00 0.00 59.98 60.45 2k0y h ARG 72 Cb 1.63 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.66 2k0y h ARG 72 CO -0.07 0.11 0.00 0.93 0.10 0.00 0.00 179.97 181.04 2k0y h GLU 73 N 0.17 0.93 -0.22 0.08 4.39 -1.52 0.11 114.58 118.52 2k0y h GLU 73 Ca 0.24 -0.29 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 2k0y h GLU 73 Cb 0.34 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2k0y h GLU 73 CO -0.36 0.95 -0.10 1.25 -1.16 0.00 0.00 179.01 179.59 2k0y h LEU 74 N 0.81 0.46 0.02 1.33 7.12 -1.36 -0.41 115.31 123.29 2k0y h LEU 74 Ca 0.15 -0.41 0.02 0.00 0.13 0.00 0.00 57.88 57.77 2k0y h LEU 74 Cb 0.52 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.50 2k0y h LEU 74 CO 0.03 0.76 -0.12 0.25 -0.13 0.00 0.00 178.44 179.23 2k0y h LEU 75 N 0.16 -0.35 -0.59 2.25 5.85 -0.02 -0.78 115.31 121.82 2k0y h LEU 75 Ca 0.05 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.87 2k0y h LEU 75 Cb 0.59 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 2k0y h LEU 75 CO 0.03 -0.18 0.30 -0.78 -0.34 0.00 0.00 178.44 177.47 2k0y h ASP 76 N -0.22 0.43 -0.06 1.25 3.58 -0.72 0.41 116.42 121.09 2k0y h ASP 76 Ca 0.04 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 2k0y h ASP 76 Cb 0.27 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 2k0y h ASP 76 CO -0.11 0.28 0.03 0.25 -2.88 0.00 0.00 179.24 176.82 2k0y h LEU 77 N 0.57 0.08 -0.27 2.28 7.12 -0.72 0.10 115.31 124.46 2k0y h LEU 77 Ca 0.27 -0.07 -0.05 0.00 0.13 0.00 0.00 57.88 58.15 2k0y h LEU 77 Cb 0.18 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.28 2k0y h LEU 77 CO -0.18 0.12 -0.04 0.40 -0.13 0.00 0.00 178.44 178.62 2k0y h ILE 78 N 0.02 1.27 -0.59 4.05 2.04 -0.77 -0.90 117.51 122.63 2k0y h ILE 78 Ca 0.02 -1.01 0.09 0.00 1.00 0.00 0.00 64.86 64.96 2k0y h ILE 78 Cb 0.06 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.46 2k0y h ILE 78 CO -0.00 0.32 0.21 0.78 0.00 0.00 0.00 178.15 179.46 2k0y h ASN 79 N 0.28 0.20 -0.53 1.72 -0.26 -0.00 0.36 115.58 117.34 2k0y h ASN 79 Ca 0.07 0.08 -0.05 0.00 -0.56 0.00 0.00 56.30 55.84 2k0y h ASN 79 Cb 0.49 0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.79 2k0y h ASN 79 CO 0.02 0.13 0.13 1.23 -1.06 0.00 0.00 177.43 177.88 2k0y h GLY 80 N 0.39 0.92 1.27 2.83 0.00 -0.62 -1.60 103.07 106.26 2k0y h GLY 80 Ca 0.29 -0.58 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 2k0y h GLY 80 CO -0.30 0.54 -0.29 0.00 0.00 0.00 0.00 176.54 176.49 2k0y h ALA 81 N 1.01 0.76 -0.37 3.60 0.00 -0.40 -2.13 119.26 121.73 2k0y h ALA 81 Ca 0.17 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2k0y h ALA 81 Cb 0.34 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2k0y h ALA 81 CO 0.00 0.65 0.22 -0.07 0.00 0.00 0.00 179.25 180.06 2k0y h LEU 82 N 0.70 0.44 -2.01 0.00 3.38 -0.17 -1.05 115.31 116.60 2k0y h LEU 82 Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k0y h LEU 82 Cb 0.83 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2k0y h LEU 82 CO 0.07 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.96 2k0y h ALA 83 N 1.10 1.00 -0.51 1.53 0.00 -1.13 -2.09 119.26 119.16 2k0y h ALA 83 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2k0y h ALA 83 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k0y h ALA 83 CO -0.03 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 177.31 2k0y n GLU 84 N -2.99 2.50 -0.60 0.00 4.07 -0.45 -4.08 120.64 119.08 2k0y n GLU 84 Ca -0.01 -2.30 0.06 0.00 -0.06 0.00 0.00 57.16 54.84 2k0y n GLU 84 Cb 0.20 -1.52 0.29 0.00 -0.06 0.00 0.00 31.44 30.35 2k0y n GLU 84 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k0y n ALA 85 N 1.44 3.36 -0.59 4.31 0.00 -0.78 -5.04 120.51 123.20 2k0y n ALA 85 Ca 0.21 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.31 2k0y n ALA 85 Cb 0.58 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2k0y n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50