#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 3.32 -0.11 3.04 0.00 -1.26 -4.82 121.76 121.92 2k0y s ALA 2 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.92 2k0y s ALA 2 Cb 0.00 -3.80 0.05 0.00 0.00 0.00 0.00 23.12 19.37 2k0y s ALA 2 CO 0.00 -1.87 0.27 -0.08 0.00 0.00 0.00 175.76 174.08 2k0y s THR 3 N 4.47 -0.03 0.54 0.00 -1.32 -1.26 -5.10 115.64 112.94 2k0y s THR 3 Ca 0.56 0.12 -0.20 0.00 -1.21 0.00 0.00 61.69 60.96 2k0y s THR 3 Cb -0.15 -0.41 -0.05 0.00 -1.51 0.00 0.00 72.50 70.37 2k0y s THR 3 CO 0.24 0.05 1.16 -0.22 -2.21 0.00 0.00 174.62 173.64 2k0y s LEU 4 N 1.15 3.77 -0.19 9.08 2.96 -1.26 -5.00 118.68 129.18 2k0y s LEU 4 Ca -0.08 2.26 -0.12 0.00 -0.22 0.00 0.00 54.13 55.97 2k0y s LEU 4 Cb -0.09 -4.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.02 2k0y s LEU 4 CO -0.08 -1.28 0.20 -0.76 -1.32 0.00 0.00 176.35 173.11 2k0y s LEU 5 N -3.76 4.20 0.00 -0.68 1.43 -1.26 -5.00 118.68 113.62 2k0y s LEU 5 Ca 0.73 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 54.15 2k0y s LEU 5 Cb -0.26 -2.20 0.02 0.00 0.03 0.00 0.00 46.19 43.78 2k0y s LEU 5 CO 0.30 0.12 0.18 0.35 0.23 0.00 0.00 176.35 177.53 2k0y n THR 6 N 3.69 0.00 -0.32 5.49 -2.24 -1.26 -4.82 114.28 114.82 2k0y n THR 6 Ca -0.14 -0.36 0.05 0.00 -2.27 0.00 0.00 64.05 61.33 2k0y n THR 6 Cb 0.52 -1.07 0.24 0.00 -2.10 0.00 0.00 70.33 67.92 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 -0.18 1.03 -0.06 4.28 2.02 -1.98 0.13 112.91 118.15 2k0y h THR 7 Ca -0.06 -0.35 -0.22 0.00 0.77 0.00 0.00 66.41 66.55 2k0y h THR 7 Cb 0.25 -0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.60 2k0y h THR 7 CO 0.08 0.19 -0.83 -0.78 0.37 0.00 0.00 175.52 174.55 2k0y h ASP 8 N 1.02 0.84 -0.32 4.18 3.58 -1.94 0.28 116.42 124.05 2k0y h ASP 8 Ca 0.42 -0.69 -0.07 0.00 0.42 0.00 0.00 57.03 57.11 2k0y h ASP 8 Cb 0.28 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2k0y h ASP 8 CO -0.17 1.41 -0.02 0.44 -2.88 0.00 0.00 179.24 178.02 2k0y h ASP 9 N 0.34 0.65 0.06 2.28 5.19 -1.83 -1.17 116.42 121.95 2k0y h ASP 9 Ca -0.09 -0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.17 2k0y h ASP 9 Cb 1.48 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.82 2k0y h ASP 9 CO 0.17 0.74 -0.03 0.25 -3.12 0.00 0.00 179.24 177.24 2k0y h LEU 10 N 0.64 -0.07 -0.89 1.55 5.85 -0.67 -3.08 115.31 118.65 2k0y h LEU 10 Ca 0.13 -0.28 0.18 0.00 0.84 0.00 0.00 57.88 58.75 2k0y h LEU 10 Cb 0.43 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.37 2k0y h LEU 10 CO 0.02 0.25 0.45 -0.09 -0.34 0.00 0.00 178.44 178.73 2k0y h ARG 11 N -0.39 0.54 -0.54 1.25 2.43 -0.42 -0.62 114.38 116.63 2k0y h ARG 11 Ca -0.01 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.22 2k0y h ARG 11 Cb 0.35 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.70 2k0y h ARG 11 CO 0.01 0.36 0.13 -0.09 -1.51 0.00 0.00 179.97 178.87 2k0y h ARG 12 N 0.56 0.26 -0.45 0.20 2.43 -1.14 -0.63 114.38 115.61 2k0y h ARG 12 Ca 0.52 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.61 2k0y h ARG 12 Cb 0.87 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2k0y h ARG 12 CO -0.43 0.17 0.01 0.00 -1.51 0.00 0.00 179.97 178.21 2k0y h ALA 13 N 1.41 0.60 -0.36 2.80 0.00 -1.11 -2.87 119.26 119.74 2k0y h ALA 13 Ca 0.27 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2k0y h ALA 13 Cb 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2k0y h ALA 13 CO -0.34 0.39 0.00 -0.07 0.00 0.00 0.00 179.25 179.23 2k0y h LEU 14 N 0.63 0.53 -1.30 0.00 -0.00 -0.88 -2.18 115.31 112.10 2k0y h LEU 14 Ca 0.13 -0.10 -0.05 0.00 -0.00 0.00 0.00 57.88 57.86 2k0y h LEU 14 Cb 0.48 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 2k0y h LEU 14 CO 0.02 0.59 -0.24 0.58 -0.00 0.00 0.00 178.44 179.40 2k0y h VAL 15 N 0.54 0.68 -0.32 1.22 2.07 -0.95 -1.37 116.25 118.11 2k0y h VAL 15 Ca 0.11 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 2k0y h VAL 15 Cb 0.34 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2k0y h VAL 15 CO 0.01 0.24 0.12 -0.33 0.02 0.00 0.00 177.57 177.63 2k0y h GLU 16 N 0.00 0.48 0.00 1.57 4.39 -1.18 -2.20 114.58 117.65 2k0y h GLU 16 Ca -0.00 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 2k0y h GLU 16 Cb 0.66 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2k0y h GLU 16 CO 0.03 0.49 -0.39 0.66 -1.16 0.00 0.00 179.01 178.64 2k0y h SER 17 N 0.37 0.00 1.35 1.42 4.64 -1.54 -3.19 113.55 116.60 2k0y h SER 17 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2k0y h SER 17 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2k0y h SER 17 CO -0.01 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 2k0y h ALA 18 N 1.90 1.00 -0.52 5.18 0.00 -0.99 -3.48 119.26 122.36 2k0y h ALA 18 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k0y h ALA 18 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2k0y h ALA 18 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2k0y n GLY 19 N 0.53 1.16 0.99 0.00 0.00 -0.85 -2.32 105.19 104.70 2k0y n GLY 19 Ca 0.03 0.32 -0.02 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 1.35 -3.37 1.61 0.28 -1.26 -4.74 120.64 114.51 2k0y n GLU 20 Ca 0.00 -0.46 -0.21 0.00 -0.16 0.00 0.00 57.16 56.33 2k0y n GLU 20 Cb 0.00 -1.36 0.06 0.00 1.43 0.00 0.00 31.44 31.58 2k0y n GLU 20 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2k0y n THR 21 N 0.19 -2.51 -1.81 3.84 -1.04 -1.16 -4.97 114.28 106.81 2k0y n THR 21 Ca 0.07 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.70 2k0y n THR 21 Cb 0.56 -3.64 0.04 0.00 -1.82 0.00 0.00 70.33 65.46 2k0y n THR 21 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k0y s ASP 22 N -3.17 5.33 0.00 8.00 2.15 -0.98 -2.56 116.67 125.44 2k0y s ASP 22 Ca 0.48 2.74 0.00 0.00 0.43 0.00 0.00 52.55 56.19 2k0y s ASP 22 Cb -0.21 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.78 2k0y s ASP 22 CO 0.59 -1.53 0.00 0.61 -0.17 0.00 0.00 175.17 174.67 2k0y n GLY 23 N 0.70 1.76 2.40 2.66 0.00 -1.26 -4.63 105.19 106.83 2k0y n GLY 23 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.55 0.00 -1.82 2.61 -2.24 -1.25 -4.47 114.28 106.56 2k0y n THR 24 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k0y n THR 24 Cb 0.00 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 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 -0.21 -9.30 -1.11 3.42 2.03 -1.06 -4.91 116.55 105.40 2k0y n ASP 25 Ca -0.14 1.32 0.01 0.00 0.52 0.00 0.00 54.79 56.50 2k0y n ASP 25 Cb 0.45 -4.93 0.23 0.00 -0.72 0.00 0.00 41.12 36.15 2k0y n ASP 25 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k0y n LEU 26 N 0.44 4.21 -4.62 -2.67 7.99 -1.26 -4.99 117.00 116.10 2k0y n LEU 26 Ca 0.00 -3.39 -0.43 0.00 -0.01 0.00 0.00 56.01 52.18 2k0y n LEU 26 Cb 0.00 -0.61 -0.03 0.00 -0.11 0.00 0.00 43.42 42.67 2k0y n LEU 26 CO 0.00 0.96 1.72 -0.55 -1.51 0.00 0.00 177.39 178.01 2k0y s SER 27 N -2.14 5.85 0.00 -1.43 0.15 -1.26 -4.51 113.70 110.36 2k0y s SER 27 Ca 0.44 2.08 0.00 0.00 0.70 0.00 0.00 55.95 59.18 2k0y s SER 27 Cb 0.38 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 2k0y s SER 27 CO 0.05 -1.62 0.00 0.61 1.20 0.00 0.00 173.24 173.48 2k0y n GLY 28 N 5.29 0.09 3.60 9.45 0.00 -1.26 -4.97 105.19 117.38 2k0y n GLY 28 Ca 0.26 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 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 -4.00 5.74 -0.02 1.61 2.15 -1.26 -4.75 116.67 116.14 2k0y s ASP 29 Ca 0.00 0.02 0.03 0.00 0.43 0.00 0.00 52.55 53.03 2k0y s ASP 29 Cb 0.00 -2.02 0.04 0.00 -0.30 0.00 0.00 42.92 40.64 2k0y s ASP 29 CO 0.00 0.06 0.84 2.22 -0.17 0.00 0.00 175.17 178.13 2k0y n PHE 30 N 4.30 0.00 -0.14 -5.34 -1.74 -1.26 -4.87 117.46 108.40 2k0y n PHE 30 Ca -0.16 -0.24 0.22 0.00 -0.56 0.00 0.00 57.45 56.71 2k0y n PHE 30 Cb 0.52 -0.05 0.62 0.00 1.52 0.00 0.00 39.48 42.10 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 0.17 -0.36 5.98 3.38 -1.93 -0.68 115.31 121.86 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 1.04 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2k0y h LEU 31 CO 0.00 0.07 -0.53 0.47 0.09 0.00 0.00 178.44 178.54 2k0y n ASP 32 N -4.40 1.08 -4.67 -0.43 9.92 -1.26 -3.17 116.55 113.63 2k0y n ASP 32 Ca 0.16 -0.87 -0.41 0.00 -0.53 0.00 0.00 54.79 53.14 2k0y n ASP 32 Cb 0.72 0.42 -0.04 0.00 -0.64 0.00 0.00 41.12 41.59 2k0y n ASP 32 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2k0y s LEU 33 N -2.74 4.17 0.40 0.64 1.02 -0.26 -5.03 118.68 116.88 2k0y s LEU 33 Ca 0.16 1.14 -0.24 0.00 0.02 0.00 0.00 54.13 55.21 2k0y s LEU 33 Cb 0.18 -3.20 -0.09 0.00 0.02 0.00 0.00 46.19 43.10 2k0y s LEU 33 CO 0.66 -0.39 1.08 -0.13 0.02 0.00 0.00 176.35 177.59 2k0y s ARG 34 N 2.14 4.11 0.33 1.70 0.52 -1.26 -4.32 118.95 122.16 2k0y s ARG 34 Ca 0.37 1.59 0.01 0.00 -0.52 0.00 0.00 55.73 57.19 2k0y s ARG 34 Cb -0.16 -2.56 0.55 0.00 0.52 0.00 0.00 34.95 33.30 2k0y s ARG 34 CO 0.12 -0.20 1.94 0.74 0.02 0.00 0.00 175.30 177.92 2k0y h PHE 35 N 2.49 0.80 -0.80 -0.53 0.04 -1.13 -0.50 116.94 117.32 2k0y h PHE 35 Ca -0.48 -0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.36 2k0y h PHE 35 Cb 1.22 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 39.06 2k0y h PHE 35 CO 0.57 0.58 0.52 1.49 -0.60 0.00 0.00 178.31 180.87 2k0y h GLU 36 N 0.82 0.73 0.14 1.51 4.81 -1.76 0.30 114.58 121.14 2k0y h GLU 36 Ca 0.21 -0.04 -0.28 0.00 -0.13 0.00 0.00 59.36 59.11 2k0y h GLU 36 Cb 0.06 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.28 2k0y h GLU 36 CO -0.03 0.49 -1.26 0.22 -0.73 0.00 0.00 179.01 177.70 2k0y h ASP 37 N 0.76 0.47 -0.46 1.04 3.58 -1.48 -3.23 116.42 117.09 2k0y h ASP 37 Ca 0.37 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2k0y h ASP 37 Cb 0.42 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2k0y h ASP 37 CO -0.14 1.39 0.00 2.30 -2.88 0.00 0.00 179.24 179.90 2k0y n ILE 38 N -3.56 1.01 -2.70 2.25 -5.35 -0.66 -4.91 119.36 105.44 2k0y n ILE 38 Ca -0.09 -0.74 -0.05 0.00 -0.27 0.00 0.00 62.75 61.59 2k0y n ILE 38 Cb 1.03 0.13 0.02 0.00 -1.74 0.00 0.00 39.64 39.08 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 1.04 0.58 3.13 3.28 0.00 -0.63 -4.05 105.19 108.54 2k0y n GLY 39 Ca 0.17 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.07 3.26 0.37 1.61 1.51 0.98 -4.86 117.35 117.14 2k0y s TYR 40 Ca 0.12 -2.05 -0.08 0.00 -1.01 0.00 0.00 57.07 54.05 2k0y s TYR 40 Cb -0.05 -2.03 -0.06 0.00 -0.11 0.00 0.00 41.96 39.71 2k0y s TYR 40 CO 0.16 -0.83 0.69 -0.51 -1.11 0.00 0.00 175.55 173.95 2k0y s ASP 41 N 1.19 6.48 0.45 2.29 1.01 -1.26 -3.90 116.67 122.94 2k0y s ASP 41 Ca -0.07 0.97 0.21 0.00 0.71 0.00 0.00 52.55 54.38 2k0y s ASP 41 Cb -0.20 -2.25 1.20 0.00 1.01 0.00 0.00 42.92 42.68 2k0y s ASP 41 CO -0.03 -0.34 1.87 0.77 0.21 0.00 0.00 175.17 177.66 2k0y h SER 42 N 1.34 0.28 0.13 0.27 4.64 -1.94 -0.23 113.55 118.04 2k0y h SER 42 Ca -0.47 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 2k0y h SER 42 Cb 1.19 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2k0y h SER 42 CO 0.64 0.11 -0.06 0.25 -0.87 0.00 0.00 176.83 176.90 2k0y h LEU 43 N 0.28 -0.15 -1.00 5.97 5.85 -1.96 0.38 115.31 124.68 2k0y h LEU 43 Ca 0.44 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2k0y h LEU 43 Cb 1.29 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 2k0y h LEU 43 CO -0.12 0.13 0.53 0.00 -0.34 0.00 0.00 178.44 178.64 2k0y h ALA 44 N 0.38 1.25 -0.21 1.25 0.00 -1.82 -1.12 119.26 118.99 2k0y h ALA 44 Ca -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2k0y h ALA 44 Cb 0.35 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2k0y h ALA 44 CO 0.03 0.64 0.10 1.25 0.00 0.00 0.00 179.25 181.27 2k0y h LEU 45 N 1.24 0.27 -1.00 0.00 5.85 -0.75 -0.92 115.31 120.00 2k0y h LEU 45 Ca 0.32 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 2k0y h LEU 45 Cb -0.04 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2k0y h LEU 45 CO -0.06 0.32 0.13 0.24 -0.34 0.00 0.00 178.44 178.73 2k0y h MET 46 N 0.21 0.85 -0.12 1.25 2.86 0.05 -1.30 114.93 118.72 2k0y h MET 46 Ca 0.07 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 2k0y h MET 46 Cb 0.12 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2k0y h MET 46 CO -0.01 0.77 -0.03 1.49 1.06 0.00 0.00 176.91 180.19 2k0y h GLU 47 N 0.82 0.18 0.47 1.72 4.81 -0.80 0.45 114.58 122.22 2k0y h GLU 47 Ca 0.18 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2k0y h GLU 47 Cb 0.31 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2k0y h GLU 47 CO -0.00 0.23 -0.23 1.15 -0.73 0.00 0.00 179.01 179.43 2k0y h THR 48 N 0.18 0.39 -0.67 0.32 2.02 -0.13 -2.20 112.91 112.82 2k0y h THR 48 Ca 0.04 -0.47 0.07 0.00 0.77 0.00 0.00 66.41 66.82 2k0y h THR 48 Cb 0.18 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2k0y h THR 48 CO 0.01 0.06 0.44 0.00 0.37 0.00 0.00 175.52 176.40 2k0y h ALA 49 N -0.65 1.78 -0.65 6.16 0.00 -0.93 -1.90 119.26 123.07 2k0y h ALA 49 Ca -0.06 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2k0y h ALA 49 Cb 0.59 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2k0y h ALA 49 CO 0.11 0.10 0.38 0.00 0.00 0.00 0.00 179.25 179.83 2k0y h ALA 50 N 1.64 0.86 -0.50 0.00 0.00 0.12 0.40 119.26 121.78 2k0y h ALA 50 Ca 0.29 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2k0y h ALA 50 Cb 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2k0y h ALA 50 CO -0.09 0.08 0.04 0.00 0.00 0.00 0.00 179.25 179.28 2k0y h ARG 51 N 0.71 0.81 -0.22 0.00 3.08 -0.72 -1.38 114.38 116.67 2k0y h ARG 51 Ca 0.28 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 2k0y h ARG 51 Cb 0.12 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2k0y h ARG 51 CO -0.15 0.79 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.41 2k0y h LEU 52 N 0.77 0.43 -0.13 3.04 3.38 -0.91 -1.91 115.31 119.98 2k0y h LEU 52 Ca 0.16 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.79 2k0y h LEU 52 Cb 0.41 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2k0y h LEU 52 CO 0.01 0.71 -0.16 -0.33 0.09 0.00 0.00 178.44 178.76 2k0y h GLU 53 N 0.15 -0.19 -0.10 1.13 5.08 0.07 0.41 114.58 121.14 2k0y h GLU 53 Ca 0.05 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2k0y h GLU 53 Cb 0.53 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2k0y h GLU 53 CO 0.02 -0.13 0.05 0.77 -1.00 0.00 0.00 179.01 178.73 2k0y h SER 54 N -0.20 0.13 -0.09 1.42 0.02 -1.28 -0.18 113.55 113.38 2k0y h SER 54 Ca 0.10 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2k0y h SER 54 Cb 0.34 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 2k0y h SER 54 CO -0.25 0.19 0.01 -0.09 -1.14 0.00 0.00 176.83 175.55 2k0y h ARG 55 N 0.06 0.15 -0.13 3.45 2.43 -1.11 -3.23 114.38 116.00 2k0y h ARG 55 Ca 0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2k0y h ARG 55 Cb 0.09 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2k0y h ARG 55 CO -0.01 0.38 0.00 0.66 -1.51 0.00 0.00 179.97 179.50 2k0y n TYR 56 N -4.85 0.15 -3.01 2.20 4.01 0.12 -4.93 117.16 110.84 2k0y n TYR 56 Ca -0.06 -0.08 -0.13 0.00 -0.16 0.00 0.00 57.90 57.47 2k0y n TYR 56 Cb 0.18 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.27 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 1.21 -0.58 3.29 2.72 0.00 -0.22 -4.64 105.19 106.97 2k0y n GLY 57 Ca 0.17 0.28 -0.18 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.31 0.09 -0.02 1.61 0.11 -0.38 -4.16 120.40 114.34 2k0y s VAL 58 Ca 0.24 -2.00 -0.01 0.00 -2.93 0.00 0.00 61.98 57.28 2k0y s VAL 58 Cb -0.03 -2.49 0.01 0.00 -1.53 0.00 0.00 36.38 32.33 2k0y s VAL 58 CO 0.60 0.00 0.05 -0.44 -3.33 0.00 0.00 175.10 171.97 2k0y s SER 59 N -3.34 -0.04 -0.10 3.54 0.01 -1.26 -4.44 113.70 108.07 2k0y s SER 59 Ca 0.38 0.09 -0.00 0.00 1.31 0.00 0.00 55.95 57.73 2k0y s SER 59 Cb 0.04 0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.37 2k0y s SER 59 CO 0.22 -0.03 -0.07 -0.63 0.41 0.00 0.00 173.24 173.14 2k0y s ILE 60 N 0.14 0.91 0.09 1.44 1.01 -1.26 -5.09 121.20 118.44 2k0y s ILE 60 Ca -0.01 -0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.10 2k0y s ILE 60 Cb -0.02 -0.94 -0.09 0.00 0.01 0.00 0.00 42.46 41.42 2k0y s ILE 60 CO -0.00 0.35 1.77 -2.84 0.00 0.00 0.00 174.94 174.21 2k0y s PRO 61 N 1.66 4.16 0.50 2.79 0.02 -1.26 -4.85 135.00 138.02 2k0y s PRO 61 Ca 0.03 2.49 0.27 0.00 0.02 0.00 0.00 61.00 63.81 2k0y s PRO 61 Cb -0.13 -3.64 1.35 0.00 0.02 0.00 0.00 34.50 32.11 2k0y s PRO 61 CO -0.07 -0.81 1.89 0.38 -0.33 0.00 0.00 177.00 178.06 2k0y h ASP 62 N 8.64 0.12 -0.30 2.53 2.03 -1.99 0.15 116.42 127.61 2k0y h ASP 62 Ca -0.45 0.01 -0.14 0.00 -0.73 0.00 0.00 57.03 55.73 2k0y h ASP 62 Cb 1.21 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.69 2k0y h ASP 62 CO 0.94 0.05 -0.33 -0.78 -1.03 0.00 0.00 179.24 178.09 2k0y h ASP 63 N 0.12 0.86 -0.02 4.15 3.58 -1.96 0.96 116.42 124.12 2k0y h ASP 63 Ca 0.42 -0.36 -0.22 0.00 0.42 0.00 0.00 57.03 57.29 2k0y h ASP 63 Cb 1.48 -0.24 0.02 0.00 1.72 0.00 0.00 39.33 42.30 2k0y h ASP 63 CO -0.06 1.11 -0.83 0.58 -2.88 0.00 0.00 179.24 177.16 2k0y h VAL 64 N 0.69 1.34 -0.05 2.25 2.07 -1.40 -2.31 116.25 118.83 2k0y h VAL 64 Ca 0.07 -2.14 0.01 0.00 0.82 0.00 0.00 66.70 65.47 2k0y h VAL 64 Cb 0.88 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2k0y h VAL 64 CO 0.08 0.65 0.04 0.00 0.02 0.00 0.00 177.57 178.36 2k0y h ALA 65 N 0.38 1.87 -0.72 1.67 0.00 -0.64 -0.03 119.26 121.80 2k0y h ALA 65 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k0y h ALA 65 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2k0y h ALA 65 CO 0.16 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.76 2k0y n GLY 66 N -1.47 2.55 0.05 0.00 0.00 0.32 -4.09 105.19 102.55 2k0y n GLY 66 Ca -0.02 -0.80 0.02 0.00 0.00 0.00 0.00 46.02 45.22 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 1.56 0.74 -2.51 1.61 0.63 -0.05 -4.84 116.66 113.81 2k0y n ARG 67 Ca 0.25 -0.11 -0.41 0.00 -0.92 0.00 0.00 57.85 56.66 2k0y n ARG 67 Cb 0.67 -1.49 -0.03 0.00 0.45 0.00 0.00 32.46 32.06 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 -3.00 3.74 -0.25 5.15 -7.23 -1.05 -4.80 120.40 112.96 2k0y s VAL 68 Ca -0.08 0.12 0.21 0.00 -1.81 0.00 0.00 61.98 60.42 2k0y s VAL 68 Cb 0.10 -4.87 0.04 0.00 0.56 0.00 0.00 36.38 32.21 2k0y s VAL 68 CO 0.82 -1.80 1.12 -0.78 -0.31 0.00 0.00 175.10 174.15 2k0y h ASP 69 N 10.32 0.00 -4.39 4.85 1.82 -1.92 -3.46 116.42 123.65 2k0y h ASP 69 Ca -0.16 0.00 -0.66 0.00 -0.39 0.00 0.00 57.03 55.81 2k0y h ASP 69 Cb 1.05 0.00 -0.28 0.00 0.68 0.00 0.00 39.33 40.78 2k0y h ASP 69 CO 1.31 0.10 -0.87 0.42 -1.61 0.00 0.00 179.24 178.59 2k0y s THR 70 N -3.26 1.97 0.41 2.25 -4.23 -1.26 -0.56 115.64 110.95 2k0y s THR 70 Ca 0.01 -1.22 0.16 0.00 -1.18 0.00 0.00 61.69 59.45 2k0y s THR 70 Cb 0.09 -1.67 0.36 0.00 1.34 0.00 0.00 72.50 72.62 2k0y s THR 70 CO 0.77 0.40 1.88 -0.65 -0.54 0.00 0.00 174.62 176.48 2k0y h PRO 71 N 5.08 0.43 -0.73 3.99 0.11 -1.75 -1.29 132.00 137.84 2k0y h PRO 71 Ca -0.44 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.77 2k0y h PRO 71 Cb 1.14 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.07 2k0y h PRO 71 CO 0.45 0.29 0.32 0.07 -0.21 0.00 0.00 178.00 178.92 2k0y h ARG 72 N 0.44 0.49 -0.14 1.05 0.11 -1.89 0.25 114.38 114.70 2k0y h ARG 72 Ca 0.42 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.46 2k0y h ARG 72 Cb 0.98 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.94 2k0y h ARG 72 CO -0.16 0.33 0.02 0.93 0.10 0.00 0.00 179.97 181.19 2k0y h GLU 73 N 0.51 0.23 -0.40 0.08 4.39 -1.57 -0.92 114.58 116.89 2k0y h GLU 73 Ca 0.39 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.94 2k0y h GLU 73 Cb 0.52 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2k0y h GLU 73 CO -0.35 0.43 -0.06 1.25 -1.16 0.00 0.00 179.01 179.12 2k0y h LEU 74 N -0.01 0.75 -0.06 1.33 7.12 -1.32 0.81 115.31 123.92 2k0y h LEU 74 Ca 0.04 -0.34 0.02 0.00 0.13 0.00 0.00 57.88 57.72 2k0y h LEU 74 Cb 0.31 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 40.23 2k0y h LEU 74 CO 0.00 0.91 -0.03 0.25 -0.13 0.00 0.00 178.44 179.45 2k0y h LEU 75 N 0.56 -0.10 -0.84 2.25 5.85 -0.49 -0.70 115.31 121.85 2k0y h LEU 75 Ca 0.11 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2k0y h LEU 75 Cb 0.57 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 2k0y h LEU 75 CO 0.03 -0.04 0.55 -0.78 -0.34 0.00 0.00 178.44 177.86 2k0y h ASP 76 N -0.03 0.93 0.64 1.25 1.82 -0.90 0.30 116.42 120.43 2k0y h ASP 76 Ca 0.04 -0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.63 2k0y h ASP 76 Cb 0.08 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 39.87 2k0y h ASP 76 CO -0.08 0.66 -0.36 0.25 -1.61 0.00 0.00 179.24 178.10 2k0y h LEU 77 N 1.10 -0.88 -1.01 2.28 6.46 -0.55 -1.48 115.31 121.22 2k0y h LEU 77 Ca 0.32 0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 58.02 2k0y h LEU 77 Cb -0.07 0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2k0y h LEU 77 CO -0.09 -0.58 -0.40 0.40 -0.62 0.00 0.00 178.44 177.15 2k0y h ILE 78 N -0.93 1.30 -0.58 4.05 2.04 -0.82 -1.14 117.51 121.43 2k0y h ILE 78 Ca -0.08 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.31 2k0y h ILE 78 Cb 0.74 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 2k0y h ILE 78 CO 0.11 0.44 0.38 0.78 0.00 0.00 0.00 178.15 179.85 2k0y h ASN 79 N 0.16 0.65 -0.48 1.72 -0.26 -0.23 0.45 115.58 117.59 2k0y h ASN 79 Ca 0.01 -0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 55.62 2k0y h ASN 79 Cb 0.78 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.87 2k0y h ASN 79 CO 0.06 0.47 -0.17 1.23 -1.06 0.00 0.00 177.43 177.95 2k0y h GLY 80 N 0.77 1.07 1.54 2.83 0.00 -0.80 -2.27 103.07 106.20 2k0y h GLY 80 Ca 0.22 -0.91 -0.13 0.00 0.00 0.00 0.00 47.33 46.51 2k0y h GLY 80 CO -0.06 0.83 -0.42 0.00 0.00 0.00 0.00 176.54 176.89 2k0y h ALA 81 N 0.93 0.87 -0.09 3.60 0.00 -0.75 -2.97 119.26 120.85 2k0y h ALA 81 Ca 0.12 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2k0y h ALA 81 Cb 0.74 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2k0y h ALA 81 CO 0.06 0.64 -0.40 -0.07 0.00 0.00 0.00 179.25 179.48 2k0y h LEU 82 N 0.42 0.20 -2.23 0.00 3.38 0.04 -1.42 115.31 115.70 2k0y h LEU 82 Ca 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2k0y h LEU 82 Cb 0.91 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2k0y h LEU 82 CO 0.08 0.59 0.00 0.00 0.09 0.00 0.00 178.44 179.20 2k0y h ALA 83 N 1.42 1.00 0.00 1.53 0.00 -1.24 -2.25 119.26 119.72 2k0y h ALA 83 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2k0y h ALA 83 Cb 0.78 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.41 2k0y h ALA 83 CO 0.06 0.00 -0.71 -0.85 0.00 0.00 0.00 179.25 177.75 2k0y n GLU 84 N -2.95 0.86 -2.52 0.00 0.28 -0.91 -5.02 120.64 110.38 2k0y n GLU 84 Ca -0.01 -2.65 -0.42 0.00 -0.16 0.00 0.00 57.16 53.91 2k0y n GLU 84 Cb 0.15 -0.90 -0.02 0.00 1.43 0.00 0.00 31.44 32.10 2k0y n GLU 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k0y s ALA 85 N -1.76 2.94 0.00 -1.84 0.00 -0.58 -5.03 121.76 115.49 2k0y s ALA 85 Ca 0.35 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2k0y s ALA 85 Cb 0.36 -4.06 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2k0y s ALA 85 CO -0.11 -2.74 0.00 0.00 0.00 0.00 0.00 175.76 172.92