#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 -2.80 -2.97 3.17 0.00 -1.25 -4.98 120.51 111.68 2k0y n ALA 2 Ca 0.00 0.70 -0.36 0.00 0.00 0.00 0.00 53.44 53.77 2k0y n ALA 2 Cb 0.00 -2.85 -0.12 0.00 0.00 0.00 0.00 19.45 16.48 2k0y n ALA 2 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2k0y s THR 3 N -2.67 4.47 0.10 0.00 -1.32 -1.26 -5.05 115.64 109.91 2k0y s THR 3 Ca 0.17 -0.12 -0.31 0.00 -1.21 0.00 0.00 61.69 60.22 2k0y s THR 3 Cb -0.04 -3.08 -0.09 0.00 -1.51 0.00 0.00 72.50 67.78 2k0y s THR 3 CO 0.78 0.36 1.68 -0.76 -2.21 0.00 0.00 174.62 174.46 2k0y s LEU 4 N 1.37 4.37 0.29 9.08 1.02 -1.26 -4.94 118.68 128.61 2k0y s LEU 4 Ca 0.05 2.56 -0.29 0.00 0.02 0.00 0.00 54.13 56.47 2k0y s LEU 4 Cb -0.15 -3.57 -0.10 0.00 0.02 0.00 0.00 46.19 42.40 2k0y s LEU 4 CO 0.04 -0.90 1.18 -0.76 0.02 0.00 0.00 176.35 175.93 2k0y s LEU 5 N 2.43 4.50 0.00 1.79 2.01 -1.26 -5.02 118.68 123.13 2k0y s LEU 5 Ca 0.75 2.41 0.00 0.00 0.01 0.00 0.00 54.13 57.30 2k0y s LEU 5 Cb -0.42 -3.63 0.01 0.00 0.01 0.00 0.00 46.19 42.16 2k0y s LEU 5 CO 0.33 -0.30 0.06 0.35 1.01 0.00 0.00 176.35 177.80 2k0y n THR 6 N 1.22 0.00 -0.11 5.49 -2.24 -1.26 -4.83 114.28 112.55 2k0y n THR 6 Ca -0.00 -0.13 -0.06 0.00 -2.27 0.00 0.00 64.05 61.59 2k0y n THR 6 Cb 0.44 -1.08 0.02 0.00 -2.10 0.00 0.00 70.33 67.60 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 -0.12 0.90 -0.26 4.28 2.02 -1.97 -0.50 112.91 117.26 2k0y h THR 7 Ca -0.02 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.09 2k0y h THR 7 Cb 0.09 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 2k0y h THR 7 CO 0.03 0.05 0.08 -0.78 0.37 0.00 0.00 175.52 175.27 2k0y h ASP 8 N 0.29 0.09 -0.49 4.18 3.58 -1.94 0.18 116.42 122.30 2k0y h ASP 8 Ca 0.16 0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.55 2k0y h ASP 8 Cb 0.14 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 2k0y h ASP 8 CO -0.17 0.08 -0.04 0.44 -2.88 0.00 0.00 179.24 176.68 2k0y h ASP 9 N 0.20 0.92 -0.18 2.28 3.32 -1.86 0.14 116.42 121.23 2k0y h ASP 9 Ca 0.11 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 2k0y h ASP 9 Cb 0.08 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2k0y h ASP 9 CO -0.12 1.00 -0.03 0.25 -1.72 0.00 0.00 179.24 178.62 2k0y h LEU 10 N 0.86 0.34 -0.56 1.55 5.85 -0.85 -1.95 115.31 120.53 2k0y h LEU 10 Ca 0.15 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.62 2k0y h LEU 10 Cb 0.56 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 2k0y h LEU 10 CO 0.03 0.60 0.17 -0.09 -0.34 0.00 0.00 178.44 178.81 2k0y h ARG 11 N 0.07 0.32 -0.24 1.25 2.43 -0.23 0.06 114.38 118.04 2k0y h ARG 11 Ca 0.05 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 2k0y h ARG 11 Cb 0.45 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 2k0y h ARG 11 CO 0.01 0.21 -0.10 -0.09 -1.51 0.00 0.00 179.97 178.50 2k0y h ARG 12 N 0.33 -0.05 -0.86 0.20 2.43 -0.57 -0.78 114.38 115.07 2k0y h ARG 12 Ca 0.29 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 2k0y h ARG 12 Cb 0.37 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 2k0y h ARG 12 CO -0.32 -0.03 0.48 0.00 -1.51 0.00 0.00 179.97 178.59 2k0y h ALA 13 N 1.17 1.10 -0.44 2.80 0.00 -0.50 0.45 119.26 123.84 2k0y h ALA 13 Ca 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k0y h ALA 13 Cb 0.24 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2k0y h ALA 13 CO -0.28 0.60 0.13 -0.07 0.00 0.00 0.00 179.25 179.62 2k0y h LEU 14 N 1.20 0.65 -0.44 0.00 4.07 -0.61 0.81 115.31 121.00 2k0y h LEU 14 Ca 0.30 -0.21 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 2k0y h LEU 14 Cb 0.01 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.56 2k0y h LEU 14 CO -0.05 0.70 0.26 0.58 -1.08 0.00 0.00 178.44 178.85 2k0y h VAL 15 N 0.58 1.14 -0.24 1.22 2.07 -0.52 0.11 116.25 120.61 2k0y h VAL 15 Ca 0.14 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 2k0y h VAL 15 Cb 0.28 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2k0y h VAL 15 CO -0.00 0.14 0.15 -0.33 0.02 0.00 0.00 177.57 177.55 2k0y h GLU 16 N 0.58 0.32 -0.58 1.57 5.08 -0.76 -1.28 114.58 119.51 2k0y h GLU 16 Ca 0.16 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 2k0y h GLU 16 Cb 0.00 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2k0y h GLU 16 CO -0.03 0.24 0.04 0.77 -1.00 0.00 0.00 179.01 179.04 2k0y h SER 17 N 0.31 0.93 -0.23 1.42 0.02 -0.52 -2.79 113.55 112.69 2k0y h SER 17 Ca 0.09 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 2k0y h SER 17 Cb -0.00 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 2k0y h SER 17 CO -0.02 0.97 0.01 0.00 -1.14 0.00 0.00 176.83 176.65 2k0y h ALA 18 N 1.14 0.31 0.00 3.77 0.00 -0.67 -3.46 119.26 120.34 2k0y h ALA 18 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k0y h ALA 18 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2k0y h ALA 18 CO 0.02 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.70 2k0y n GLY 19 N -0.36 2.71 3.82 0.00 0.00 -0.50 -5.03 105.19 105.83 2k0y n GLY 19 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.66 0.72 0.00 1.61 0.41 -1.26 -5.03 118.70 114.49 2k0y s GLU 20 Ca 0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.55 2k0y s GLU 20 Cb 0.00 -1.82 0.00 0.00 -1.78 0.00 0.00 34.13 30.53 2k0y s GLU 20 CO 0.00 -2.42 0.00 2.41 -0.49 0.00 0.00 175.26 174.76 2k0y n THR 21 N -3.86 0.00 -3.43 3.63 -1.04 -1.26 -4.87 114.28 103.44 2k0y n THR 21 Ca 0.11 0.19 -0.34 0.00 -2.04 0.00 0.00 64.05 61.97 2k0y n THR 21 Cb 0.60 -0.73 -0.06 0.00 -1.82 0.00 0.00 70.33 68.32 2k0y n THR 21 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2k0y s ASP 22 N -1.53 6.73 -1.13 8.00 -4.77 -1.26 -5.01 116.67 117.69 2k0y s ASP 22 Ca 0.00 0.96 -0.09 0.00 -3.30 0.00 0.00 52.55 50.11 2k0y s ASP 22 Cb 0.00 -2.24 0.27 0.00 -1.09 0.00 0.00 42.92 39.86 2k0y s ASP 22 CO 0.00 0.08 1.20 0.61 0.70 0.00 0.00 175.17 177.76 2k0y n GLY 23 N 0.60 4.18 6.02 2.12 0.00 -1.26 -5.00 105.19 111.85 2k0y n GLY 23 Ca -0.05 -2.51 0.00 0.00 0.00 0.00 0.00 46.02 43.46 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 2.84 0.00 -0.80 2.61 -2.24 -1.26 -0.28 114.28 115.16 2k0y n THR 24 Ca 0.26 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.12 2k0y n THR 24 Cb 0.39 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.74 2k0y n THR 24 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2k0y n ASP 25 N 2.39 2.42 0.23 3.42 5.75 -1.26 -4.64 116.55 124.85 2k0y n ASP 25 Ca 0.00 -2.81 0.08 0.00 -0.01 0.00 0.00 54.79 52.05 2k0y n ASP 25 Cb 0.00 -0.34 0.54 0.00 -1.03 0.00 0.00 41.12 40.29 2k0y n ASP 25 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2k0y h LEU 26 N 0.22 0.00 -8.34 -2.12 5.85 -1.03 -3.40 115.31 106.49 2k0y h LEU 26 Ca 0.00 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.20 2k0y h LEU 26 Cb 0.92 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 2k0y h LEU 26 CO 0.02 0.23 1.18 -0.55 -0.34 0.00 0.00 178.44 178.98 2k0y s SER 27 N -6.53 5.93 0.00 1.25 0.15 -1.13 -4.61 113.70 108.76 2k0y s SER 27 Ca -0.03 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2k0y s SER 27 Cb 0.13 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2k0y s SER 27 CO 0.65 -1.98 0.00 0.61 1.20 0.00 0.00 173.24 173.73 2k0y n GLY 28 N 5.81 -1.05 3.48 9.45 0.00 -1.26 -5.02 105.19 116.60 2k0y n GLY 28 Ca 0.15 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 6.26 -0.26 1.61 -1.08 -1.26 -4.84 116.67 113.09 2k0y s ASP 29 Ca 0.00 -1.04 0.12 0.00 -0.52 0.00 0.00 52.55 51.10 2k0y s ASP 29 Cb 0.00 -2.46 0.54 0.00 -1.46 0.00 0.00 42.92 39.54 2k0y s ASP 29 CO 0.00 -1.49 1.50 2.22 0.52 0.00 0.00 175.17 177.92 2k0y n PHE 30 N 8.05 1.26 -0.09 -5.34 -1.74 -1.26 -4.78 117.46 113.57 2k0y n PHE 30 Ca 0.05 -1.31 0.26 0.00 -0.56 0.00 0.00 57.45 55.88 2k0y n PHE 30 Cb 0.47 -0.47 0.71 0.00 1.52 0.00 0.00 39.48 41.71 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 1.41 0.00 -0.82 5.98 3.38 -1.93 -0.15 115.31 123.18 2k0y h LEU 31 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2k0y h LEU 31 Cb 1.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2k0y h LEU 31 CO 0.40 0.00 -0.46 -0.67 0.09 0.00 0.00 178.44 177.80 2k0y n ASP 32 N -3.92 1.73 -4.69 -0.43 2.03 -1.26 -0.57 116.55 109.44 2k0y n ASP 32 Ca 0.15 -1.33 -0.42 0.00 0.52 0.00 0.00 54.79 53.71 2k0y n ASP 32 Cb 0.91 0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 41.71 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 -2.52 4.26 0.06 -2.67 1.02 -0.07 -4.90 118.68 113.86 2k0y s LEU 33 Ca 0.19 1.70 -0.31 0.00 0.02 0.00 0.00 54.13 55.74 2k0y s LEU 33 Cb 0.18 -3.56 -0.06 0.00 0.02 0.00 0.00 46.19 42.78 2k0y s LEU 33 CO 0.58 -0.54 1.22 -0.13 0.02 0.00 0.00 176.35 177.50 2k0y s ARG 34 N 2.17 4.41 0.14 1.70 3.00 -1.26 -4.11 118.95 125.01 2k0y s ARG 34 Ca 0.53 1.79 -0.20 0.00 0.00 0.00 0.00 55.73 57.85 2k0y s ARG 34 Cb -0.22 -3.36 -0.01 0.00 0.00 0.00 0.00 34.95 31.37 2k0y s ARG 34 CO 0.20 -0.29 1.69 0.74 0.00 0.00 0.00 175.30 177.64 2k0y h PHE 35 N 6.86 -0.18 -0.46 -0.53 0.04 -1.67 -1.62 116.94 119.38 2k0y h PHE 35 Ca -0.41 0.02 0.13 0.00 2.80 0.00 0.00 57.97 60.51 2k0y h PHE 35 Cb 1.21 0.11 -0.02 0.00 2.20 0.00 0.00 35.95 39.46 2k0y h PHE 35 CO 0.67 -0.13 0.42 0.93 -0.60 0.00 0.00 178.31 179.61 2k0y h GLU 36 N -0.04 0.00 0.07 1.51 3.07 -1.54 0.16 114.58 117.81 2k0y h GLU 36 Ca 0.11 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.70 2k0y h GLU 36 Cb 0.21 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 2k0y h GLU 36 CO -0.25 0.00 -1.33 0.22 -1.40 0.00 0.00 179.01 176.26 2k0y h ASP 37 N 0.00 0.23 -0.58 1.42 3.58 -1.58 -3.33 116.42 116.15 2k0y h ASP 37 Ca 0.22 -0.28 -0.12 0.00 0.42 0.00 0.00 57.03 57.26 2k0y h ASP 37 Cb 1.06 -0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.97 2k0y h ASP 37 CO -0.00 1.23 0.16 2.30 -2.88 0.00 0.00 179.24 180.04 2k0y n ILE 38 N -3.39 2.48 -0.87 2.25 -5.35 0.18 -4.85 119.36 109.80 2k0y n ILE 38 Ca -0.10 -1.30 0.00 0.00 -0.27 0.00 0.00 62.75 61.08 2k0y n ILE 38 Cb 1.01 -0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.52 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 0.13 0.58 2.96 3.28 0.00 -0.98 -5.00 105.19 106.17 2k0y n GLY 39 Ca 0.31 -0.79 -0.31 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 -2.00 3.13 0.33 1.61 1.51 0.33 -4.99 117.35 117.26 2k0y s TYR 40 Ca 0.00 -2.51 -0.21 0.00 -1.01 0.00 0.00 57.07 53.34 2k0y s TYR 40 Cb 0.00 -2.39 -0.10 0.00 -0.11 0.00 0.00 41.96 39.36 2k0y s TYR 40 CO 0.00 -0.90 0.86 -0.51 -1.11 0.00 0.00 175.55 173.89 2k0y s ASP 41 N 1.13 7.05 0.63 2.29 1.01 -1.26 -1.45 116.67 126.07 2k0y s ASP 41 Ca 0.06 1.59 0.25 0.00 0.71 0.00 0.00 52.55 55.17 2k0y s ASP 41 Cb -0.19 -2.49 1.30 0.00 1.01 0.00 0.00 42.92 42.55 2k0y s ASP 41 CO -0.11 -0.16 1.73 0.28 0.21 0.00 0.00 175.17 177.12 2k0y h SER 42 N 2.66 0.00 0.69 0.27 0.02 -1.95 0.20 113.55 115.45 2k0y h SER 42 Ca -0.48 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 2k0y h SER 42 Cb 1.18 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.73 2k0y h SER 42 CO 0.64 0.00 -0.33 0.25 -1.14 0.00 0.00 176.83 176.25 2k0y h LEU 43 N 0.00 -0.78 -2.01 5.07 5.85 -1.93 0.10 115.31 121.61 2k0y h LEU 43 Ca 0.12 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2k0y h LEU 43 Cb 1.22 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.45 2k0y h LEU 43 CO -0.00 -0.43 -0.09 0.00 -0.34 0.00 0.00 178.44 177.57 2k0y h ALA 44 N -1.03 1.53 -0.20 1.25 0.00 -1.45 -1.51 119.26 117.85 2k0y h ALA 44 Ca -0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2k0y h ALA 44 Cb 0.74 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2k0y h ALA 44 CO 0.16 0.11 0.06 1.25 0.00 0.00 0.00 179.25 180.83 2k0y h LEU 45 N 0.00 0.30 -1.37 0.00 5.85 -0.53 -1.08 115.31 118.47 2k0y h LEU 45 Ca -0.00 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 2k0y h LEU 45 Cb 0.20 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2k0y h LEU 45 CO 0.01 0.44 -0.03 0.24 -0.34 0.00 0.00 178.44 178.76 2k0y h MET 46 N 0.15 0.37 -0.76 1.25 2.86 0.18 0.15 114.93 119.13 2k0y h MET 46 Ca 0.07 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2k0y h MET 46 Cb 0.25 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 2k0y h MET 46 CO -0.00 0.43 0.47 1.49 1.06 0.00 0.00 176.91 180.36 2k0y h GLU 47 N 0.36 1.02 0.30 1.72 4.57 -1.00 0.52 114.58 122.08 2k0y h GLU 47 Ca 0.08 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2k0y h GLU 47 Cb 0.30 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2k0y h GLU 47 CO 0.01 0.71 -0.14 1.15 -1.18 0.00 0.00 179.01 179.55 2k0y h THR 48 N 1.04 0.57 -0.81 0.32 2.02 -0.13 -3.03 112.91 112.89 2k0y h THR 48 Ca 0.28 -0.78 0.13 0.00 0.77 0.00 0.00 66.41 66.80 2k0y h THR 48 Cb -0.06 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 2k0y h THR 48 CO -0.05 0.12 0.53 0.00 0.37 0.00 0.00 175.52 176.49 2k0y h ALA 49 N -0.51 1.89 -0.70 6.16 0.00 -0.50 -1.26 119.26 124.35 2k0y h ALA 49 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2k0y h ALA 49 Cb 0.51 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2k0y h ALA 49 CO 0.07 -0.10 0.41 0.00 0.00 0.00 0.00 179.25 179.63 2k0y h ALA 50 N 1.62 0.94 -0.35 0.00 0.00 0.12 0.44 119.26 122.02 2k0y h ALA 50 Ca 0.39 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.17 2k0y h ALA 50 Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k0y h ALA 50 CO -0.16 0.12 -0.32 0.00 0.00 0.00 0.00 179.25 178.89 2k0y h ARG 51 N 0.77 0.77 -0.31 0.00 3.08 -1.14 -1.01 114.38 116.55 2k0y h ARG 51 Ca 0.30 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2k0y h ARG 51 Cb 0.14 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2k0y h ARG 51 CO -0.16 0.98 0.14 -0.07 -1.07 0.00 0.00 179.97 179.79 2k0y h LEU 52 N 0.65 0.41 0.46 3.04 3.38 -0.67 -0.29 115.31 122.29 2k0y h LEU 52 Ca 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2k0y h LEU 52 Cb 0.86 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2k0y h LEU 52 CO 0.08 0.44 -0.42 -0.33 0.09 0.00 0.00 178.44 178.29 2k0y h GLU 53 N 0.36 -0.85 0.55 1.13 5.08 0.08 -1.54 114.58 119.38 2k0y h GLU 53 Ca 0.10 0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2k0y h GLU 53 Cb 0.15 0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.59 2k0y h GLU 53 CO -0.01 -0.57 -0.26 1.03 -1.00 0.00 0.00 179.01 178.20 2k0y h SER 54 N -0.88 -0.62 -0.43 1.42 0.87 -1.13 -0.30 113.55 112.48 2k0y h SER 54 Ca -0.05 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 2k0y h SER 54 Cb 0.77 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 2k0y h SER 54 CO -0.04 -0.34 0.08 -0.09 -0.53 0.00 0.00 176.83 175.91 2k0y h ARG 55 N -0.89 0.70 -0.02 2.24 2.43 -1.10 -3.13 114.38 114.62 2k0y h ARG 55 Ca -0.08 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2k0y h ARG 55 Cb 0.62 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2k0y h ARG 55 CO 0.12 0.73 -0.29 0.66 -1.51 0.00 0.00 179.97 179.68 2k0y n TYR 56 N -4.50 0.00 -2.78 2.20 4.01 -0.58 -4.68 117.16 110.83 2k0y n TYR 56 Ca -0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 2k0y n TYR 56 Cb 0.23 -0.02 0.03 0.00 -0.31 0.00 0.00 39.34 39.28 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 1.38 0.31 3.48 2.72 0.00 -0.24 -3.94 105.19 108.89 2k0y n GLY 57 Ca 0.11 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.12 2.97 -0.28 1.61 0.11 -0.51 -4.97 120.40 116.21 2k0y s VAL 58 Ca 0.14 -0.97 -0.11 0.00 -2.93 0.00 0.00 61.98 58.11 2k0y s VAL 58 Cb -0.06 -2.22 -0.05 0.00 -1.53 0.00 0.00 36.38 32.52 2k0y s VAL 58 CO 0.27 0.44 0.20 -0.44 -3.33 0.00 0.00 175.10 172.24 2k0y s SER 59 N -1.18 6.04 -0.25 3.54 0.01 -1.26 -4.25 113.70 116.35 2k0y s SER 59 Ca 0.14 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.42 2k0y s SER 59 Cb -0.11 -2.12 0.07 0.00 0.21 0.00 0.00 66.02 64.07 2k0y s SER 59 CO 0.04 -0.05 -0.01 -0.63 0.41 0.00 0.00 173.24 173.00 2k0y s ILE 60 N 1.73 1.45 0.42 1.44 1.01 -1.26 -5.00 121.20 120.98 2k0y s ILE 60 Ca 0.08 -1.33 -0.26 0.00 0.00 0.00 0.00 60.65 59.13 2k0y s ILE 60 Cb -0.16 -1.83 -0.10 0.00 0.01 0.00 0.00 42.46 40.39 2k0y s ILE 60 CO 0.11 -0.25 1.40 -2.65 0.00 0.00 0.00 174.94 173.54 2k0y n PRO 61 N 4.67 2.27 -0.35 2.79 -0.02 -1.26 -4.78 135.00 138.33 2k0y n PRO 61 Ca -0.08 0.80 0.11 0.00 -2.02 0.00 0.00 63.50 62.31 2k0y n PRO 61 Cb 0.44 -2.55 0.30 0.00 -0.02 0.00 0.00 33.50 31.67 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 2.43 0.82 -0.33 2.55 3.32 -1.99 0.46 116.42 123.68 2k0y h ASP 62 Ca -0.50 0.08 -0.14 0.00 0.02 0.00 0.00 57.03 56.49 2k0y h ASP 62 Cb 1.27 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 2k0y h ASP 62 CO 0.62 0.34 -0.32 -0.78 -1.72 0.00 0.00 179.24 177.37 2k0y h ASP 63 N 0.82 0.90 -0.23 6.45 3.58 -1.97 -2.78 116.42 123.20 2k0y h ASP 63 Ca 0.55 -0.38 -0.15 0.00 0.42 0.00 0.00 57.03 57.47 2k0y h ASP 63 Cb 0.79 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2k0y h ASP 63 CO -0.34 1.14 -0.42 0.58 -2.88 0.00 0.00 179.24 177.32 2k0y h VAL 64 N 0.72 1.29 -0.01 2.25 2.07 -1.42 -1.33 116.25 119.81 2k0y h VAL 64 Ca 0.08 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.00 2k0y h VAL 64 Cb 0.88 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2k0y h VAL 64 CO 0.08 0.52 0.05 0.00 0.02 0.00 0.00 177.57 178.24 2k0y h ALA 65 N 0.89 1.20 -0.26 1.67 0.00 -0.85 -0.29 119.26 121.62 2k0y h ALA 65 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k0y h ALA 65 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2k0y h ALA 65 CO 0.09 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2k0y n GLY 66 N -1.17 2.06 0.01 0.00 0.00 -0.60 -4.37 105.19 101.12 2k0y n GLY 66 Ca -0.03 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.75 2k0y n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k0y n ARG 67 N 0.48 0.55 -2.46 1.61 5.12 -0.15 -4.83 116.66 116.98 2k0y n ARG 67 Ca 0.10 -0.10 -0.41 0.00 -1.93 0.00 0.00 57.85 55.51 2k0y n ARG 67 Cb 0.38 -1.46 -0.03 0.00 -1.16 0.00 0.00 32.46 30.19 2k0y n ARG 67 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2k0y s VAL 68 N -3.17 3.71 -0.12 1.55 -7.23 -1.05 -4.79 120.40 109.30 2k0y s VAL 68 Ca -0.01 0.47 0.16 0.00 -1.81 0.00 0.00 61.98 60.80 2k0y s VAL 68 Cb 0.14 -4.70 -0.10 0.00 0.56 0.00 0.00 36.38 32.28 2k0y s VAL 68 CO 0.83 -1.57 0.94 -0.78 -0.31 0.00 0.00 175.10 174.21 2k0y h ASP 69 N 10.80 0.00 -4.48 4.85 3.58 -1.93 -3.46 116.42 125.79 2k0y h ASP 69 Ca -0.27 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 56.83 2k0y h ASP 69 Cb 1.07 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 41.89 2k0y h ASP 69 CO 1.25 0.58 -0.76 0.42 -2.88 0.00 0.00 179.24 177.84 2k0y s THR 70 N -2.92 0.76 0.38 2.25 -4.23 -1.26 -2.08 115.64 108.54 2k0y s THR 70 Ca -0.02 -0.97 0.10 0.00 -1.18 0.00 0.00 61.69 59.63 2k0y s THR 70 Cb 0.08 -0.75 0.32 0.00 1.34 0.00 0.00 72.50 73.50 2k0y s THR 70 CO 0.80 -0.18 1.93 -0.65 -0.54 0.00 0.00 174.62 175.98 2k0y h PRO 71 N 4.80 0.60 -1.00 3.99 0.11 -1.66 -1.06 132.00 137.79 2k0y h PRO 71 Ca -0.36 -0.04 0.13 0.00 0.11 0.00 0.00 66.00 65.84 2k0y h PRO 71 Cb 1.19 -0.14 -0.09 0.00 0.11 0.00 0.00 31.00 32.08 2k0y h PRO 71 CO 0.43 0.40 0.63 0.07 -0.21 0.00 0.00 178.00 179.32 2k0y h ARG 72 N 0.62 0.93 -0.07 1.05 0.11 -1.15 0.52 114.38 116.40 2k0y h ARG 72 Ca 0.36 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 60.37 2k0y h ARG 72 Cb 0.55 -0.21 -0.00 0.00 1.11 0.00 0.00 29.97 31.42 2k0y h ARG 72 CO -0.13 0.62 -0.01 0.93 0.10 0.00 0.00 179.97 181.47 2k0y h GLU 73 N 0.96 0.13 -0.11 0.08 4.39 -1.48 -2.99 114.58 115.57 2k0y h GLU 73 Ca 0.50 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 60.13 2k0y h GLU 73 Cb 0.53 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2k0y h GLU 73 CO -0.27 0.45 -0.00 1.25 -1.16 0.00 0.00 179.01 179.28 2k0y h LEU 74 N -0.21 0.19 -0.36 1.33 7.12 -0.79 -0.74 115.31 121.85 2k0y h LEU 74 Ca 0.02 -0.32 0.04 0.00 0.13 0.00 0.00 57.88 57.75 2k0y h LEU 74 Cb 0.41 -0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 40.45 2k0y h LEU 74 CO 0.01 0.46 0.13 0.25 -0.13 0.00 0.00 178.44 179.16 2k0y h LEU 75 N -0.08 0.15 -0.68 2.25 5.85 -0.11 -0.55 115.31 122.15 2k0y h LEU 75 Ca 0.03 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2k0y h LEU 75 Cb 0.37 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2k0y h LEU 75 CO 0.01 0.12 0.44 -0.78 -0.34 0.00 0.00 178.44 177.89 2k0y h ASP 76 N 0.29 0.79 -0.11 1.25 3.58 -1.39 0.15 116.42 120.97 2k0y h ASP 76 Ca 0.16 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 2k0y h ASP 76 Cb 0.13 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2k0y h ASP 76 CO -0.16 0.58 0.06 0.25 -2.88 0.00 0.00 179.24 177.09 2k0y h LEU 77 N 0.92 0.13 -0.45 2.28 7.12 -0.46 0.17 115.31 125.04 2k0y h LEU 77 Ca 0.25 -0.07 -0.06 0.00 0.13 0.00 0.00 57.88 58.12 2k0y h LEU 77 Cb -0.09 -0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 39.99 2k0y h LEU 77 CO -0.05 0.17 0.03 0.40 -0.13 0.00 0.00 178.44 178.86 2k0y h ILE 78 N 0.09 1.25 -0.72 4.05 2.04 -0.82 0.93 117.51 124.33 2k0y h ILE 78 Ca 0.04 -0.98 0.02 0.00 1.00 0.00 0.00 64.86 64.94 2k0y h ILE 78 Cb 0.06 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2k0y h ILE 78 CO -0.01 0.34 0.46 0.78 0.00 0.00 0.00 178.15 179.72 2k0y h ASN 79 N 0.62 0.77 -0.58 1.72 -0.26 -0.47 0.35 115.58 117.73 2k0y h ASN 79 Ca 0.13 -0.01 -0.11 0.00 -0.56 0.00 0.00 56.30 55.76 2k0y h ASN 79 Cb 0.44 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.51 2k0y h ASN 79 CO 0.02 0.54 -0.05 1.23 -1.06 0.00 0.00 177.43 178.10 2k0y h GLY 80 N 0.91 1.15 0.93 2.83 0.00 -0.34 -0.38 103.07 108.17 2k0y h GLY 80 Ca 0.28 -0.89 -0.12 0.00 0.00 0.00 0.00 47.33 46.61 2k0y h GLY 80 CO -0.09 0.81 -0.30 0.00 0.00 0.00 0.00 176.54 176.97 2k0y h ALA 81 N 0.96 0.37 0.00 3.60 0.00 -0.35 -2.93 119.26 120.90 2k0y h ALA 81 Ca 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k0y h ALA 81 Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k0y h ALA 81 CO 0.04 0.39 0.00 -0.07 0.00 0.00 0.00 179.25 179.61 2k0y h LEU 82 N 0.35 0.00 -2.23 0.00 3.38 -0.24 -2.03 115.31 114.54 2k0y h LEU 82 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2k0y h LEU 82 Cb 0.87 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2k0y h LEU 82 CO 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.56 2k0y h ALA 83 N 2.18 1.13 0.00 1.53 0.00 -0.86 -0.61 119.26 122.63 2k0y h ALA 83 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k0y h ALA 83 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k0y h ALA 83 CO 0.00 0.05 -0.38 0.39 0.00 0.00 0.00 179.25 179.31 2k0y n GLU 84 N -3.33 0.09 -2.43 0.00 1.02 -0.76 -4.61 120.64 110.62 2k0y n GLU 84 Ca -0.02 0.03 -0.41 0.00 -0.02 0.00 0.00 57.16 56.75 2k0y n GLU 84 Cb 0.18 -1.56 -0.01 0.00 -0.02 0.00 0.00 31.44 30.03 2k0y n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k0y n ALA 85 N -1.60 3.49 -1.67 0.62 0.00 -0.24 -5.17 120.51 115.95 2k0y n ALA 85 Ca 0.05 -3.74 0.00 0.00 0.00 0.00 0.00 53.44 49.75 2k0y n ALA 85 Cb 0.37 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.23 2k0y n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50