#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 3.33 -0.19 3.04 0.00 -1.26 -5.01 121.76 121.68 2k0y s ALA 2 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 2k0y s ALA 2 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2k0y s ALA 2 CO 0.00 -1.80 1.03 0.95 0.00 0.00 0.00 175.76 175.95 2k0y s THR 3 N 3.06 4.71 0.87 0.00 -4.23 -1.26 -5.01 115.64 113.78 2k0y s THR 3 Ca 0.27 2.03 -0.10 0.00 -1.18 0.00 0.00 61.69 62.70 2k0y s THR 3 Cb -0.13 -4.31 0.12 0.00 1.34 0.00 0.00 72.50 69.52 2k0y s THR 3 CO 0.20 -0.12 1.12 -0.76 -0.54 0.00 0.00 174.62 174.53 2k0y s LEU 4 N 2.80 2.84 0.00 4.79 1.02 -1.26 -4.97 118.68 123.90 2k0y s LEU 4 Ca 0.46 2.02 -0.10 0.00 0.02 0.00 0.00 54.13 56.53 2k0y s LEU 4 Cb -0.16 -4.50 -0.05 0.00 0.02 0.00 0.00 46.19 41.50 2k0y s LEU 4 CO 0.10 -2.73 0.31 -0.76 0.02 0.00 0.00 176.35 173.30 2k0y s LEU 5 N -6.36 4.40 0.00 1.79 1.43 -1.26 -5.04 118.68 113.64 2k0y s LEU 5 Ca 0.65 0.71 0.07 0.00 -1.03 0.00 0.00 54.13 54.52 2k0y s LEU 5 Cb -0.21 -2.62 0.07 0.00 0.03 0.00 0.00 46.19 43.47 2k0y s LEU 5 CO 0.57 0.28 0.61 0.35 0.23 0.00 0.00 176.35 178.39 2k0y n THR 6 N 1.41 0.00 0.07 5.49 -2.24 -1.26 -4.95 114.28 112.79 2k0y n THR 6 Ca -0.13 -1.67 0.05 0.00 -2.27 0.00 0.00 64.05 60.03 2k0y n THR 6 Cb 0.53 -0.49 0.49 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.20 1.07 -0.37 4.28 2.02 -1.98 -1.71 112.91 116.41 2k0y h THR 7 Ca -0.24 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 66.71 2k0y h THR 7 Cb 1.05 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2k0y h THR 7 CO 0.35 0.07 -0.13 -0.78 0.37 0.00 0.00 175.52 175.41 2k0y h ASP 8 N 0.40 0.75 -0.60 4.18 1.82 -1.95 0.01 116.42 121.03 2k0y h ASP 8 Ca 0.11 -0.38 -0.06 0.00 -0.39 0.00 0.00 57.03 56.32 2k0y h ASP 8 Cb -0.03 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 39.75 2k0y h ASP 8 CO -0.02 0.96 0.17 0.44 -1.61 0.00 0.00 179.24 179.18 2k0y h ASP 9 N 0.54 0.91 -0.26 2.28 5.19 -1.80 -1.55 116.42 121.73 2k0y h ASP 9 Ca 0.09 -0.17 -0.04 0.00 -0.62 0.00 0.00 57.03 56.29 2k0y h ASP 9 Cb 0.65 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 2k0y h ASP 9 CO 0.04 0.87 -0.01 0.25 -3.12 0.00 0.00 179.24 177.28 2k0y h LEU 10 N 0.94 0.46 -0.61 1.55 5.85 -1.07 -2.74 115.31 119.68 2k0y h LEU 10 Ca 0.20 -0.31 0.11 0.00 0.84 0.00 0.00 57.88 58.72 2k0y h LEU 10 Cb 0.31 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.13 2k0y h LEU 10 CO -0.00 0.66 0.17 -0.09 -0.34 0.00 0.00 178.44 178.84 2k0y h ARG 11 N 0.25 0.31 -0.26 1.25 2.43 -0.43 -1.99 114.38 115.94 2k0y h ARG 11 Ca 0.07 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2k0y h ARG 11 Cb 0.43 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 2k0y h ARG 11 CO 0.01 0.20 -0.07 0.00 -1.51 0.00 0.00 179.97 178.61 2k0y h ARG 12 N 0.32 -0.01 -0.72 0.20 3.08 -1.13 -1.15 114.38 114.96 2k0y h ARG 12 Ca 0.32 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.35 2k0y h ARG 12 Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 2k0y h ARG 12 CO -0.37 -0.01 0.36 0.00 -1.07 0.00 0.00 179.97 178.88 2k0y h ALA 13 N 1.25 1.27 -0.27 0.04 0.00 -1.08 -0.03 119.26 120.43 2k0y h ALA 13 Ca 0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2k0y h ALA 13 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k0y h ALA 13 CO -0.27 0.57 0.01 -0.07 0.00 0.00 0.00 179.25 179.49 2k0y h LEU 14 N 1.02 0.46 -0.98 0.00 4.07 -0.86 -2.19 115.31 116.83 2k0y h LEU 14 Ca 0.25 -0.30 0.07 0.00 0.08 0.00 0.00 57.88 57.98 2k0y h LEU 14 Cb 0.08 -0.12 -0.07 0.00 1.08 0.00 0.00 40.66 41.63 2k0y h LEU 14 CO -0.03 0.64 0.63 0.58 -1.08 0.00 0.00 178.44 179.18 2k0y h VAL 15 N 0.25 1.07 -0.97 1.22 2.07 -0.47 0.12 116.25 119.55 2k0y h VAL 15 Ca 0.08 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2k0y h VAL 15 Cb 0.40 -0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 29.97 2k0y h VAL 15 CO 0.01 0.21 0.61 -0.33 0.02 0.00 0.00 177.57 178.09 2k0y h GLU 16 N 1.13 1.30 0.12 1.57 4.39 -0.84 -1.48 114.58 120.77 2k0y h GLU 16 Ca 0.43 -0.10 -0.28 0.00 0.34 0.00 0.00 59.36 59.75 2k0y h GLU 16 Cb 0.19 -0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2k0y h GLU 16 CO -0.18 0.89 -1.31 0.77 -1.16 0.00 0.00 179.01 178.01 2k0y h SER 17 N 1.33 0.39 0.06 1.42 0.02 -0.53 -3.34 113.55 112.91 2k0y h SER 17 Ca 0.35 -0.45 -0.21 0.00 -0.84 0.00 0.00 61.79 60.64 2k0y h SER 17 Cb -0.10 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 62.34 2k0y h SER 17 CO -0.07 1.36 -0.85 0.00 -1.14 0.00 0.00 176.83 176.13 2k0y h ALA 18 N 0.58 0.02 0.00 3.77 0.00 -0.76 -3.49 119.26 119.38 2k0y h ALA 18 Ca -0.16 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2k0y h ALA 18 Cb 1.98 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2k0y h ALA 18 CO 0.19 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.31 2k0y n GLY 19 N 1.29 2.45 0.78 0.00 0.00 -0.56 -5.10 105.19 104.05 2k0y n GLY 19 Ca -0.12 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2k0y n GLY 19 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k0y n GLU 20 N 1.43 -2.11 -1.65 1.61 4.07 -1.26 -4.96 120.64 117.77 2k0y n GLU 20 Ca 0.00 1.61 -0.16 0.00 -0.06 0.00 0.00 57.16 58.55 2k0y n GLU 20 Cb 0.00 -1.95 0.09 0.00 -0.06 0.00 0.00 31.44 29.52 2k0y n GLU 20 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2k0y n THR 21 N -1.72 0.00 -3.19 6.31 5.66 -1.26 -4.71 114.28 115.37 2k0y n THR 21 Ca 0.00 -0.88 -0.22 0.00 -3.05 0.00 0.00 64.05 59.90 2k0y n THR 21 Cb 0.17 -1.27 0.02 0.00 -1.55 0.00 0.00 70.33 67.70 2k0y n THR 21 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2k0y n ASP 22 N -3.13 -6.75 -4.55 1.09 2.03 -1.26 -4.83 116.55 99.15 2k0y n ASP 22 Ca 0.11 0.13 -0.38 0.00 0.52 0.00 0.00 54.79 55.17 2k0y n ASP 22 Cb 0.37 -3.61 -0.03 0.00 -0.72 0.00 0.00 41.12 37.13 2k0y n ASP 22 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2k0y s GLY 23 N -2.16 0.59 0.00 0.27 0.00 -1.26 -4.89 107.32 99.87 2k0y s GLY 23 Ca 0.28 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.73 2k0y s GLY 23 CO 0.82 3.06 0.00 -1.30 0.00 0.00 0.00 173.10 175.68 2k0y n THR 24 N 6.98 0.00 -1.61 0.90 -2.24 -1.26 -0.77 114.28 116.28 2k0y n THR 24 Ca 0.19 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.04 2k0y n THR 24 Cb 0.50 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.88 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 3.81 1.65 -0.11 3.42 5.75 -1.26 -4.75 116.55 125.07 2k0y n ASP 25 Ca 0.00 -3.25 0.02 0.00 -0.01 0.00 0.00 54.79 51.55 2k0y n ASP 25 Cb 0.00 -0.44 0.09 0.00 -1.03 0.00 0.00 41.12 39.74 2k0y n ASP 25 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2k0y n LEU 26 N -0.89 0.31 -4.75 -2.12 7.94 0.05 -4.82 117.00 112.72 2k0y n LEU 26 Ca 0.15 -0.15 -0.40 0.00 -1.11 0.00 0.00 56.01 54.49 2k0y n LEU 26 Cb 0.74 -0.04 -0.05 0.00 0.53 0.00 0.00 43.42 44.61 2k0y n LEU 26 CO -0.02 0.08 0.75 -0.94 -1.11 0.00 0.00 177.39 176.14 2k0y s SER 27 N -1.07 7.39 0.00 1.96 1.04 -1.26 -4.60 113.70 117.15 2k0y s SER 27 Ca 0.07 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.61 2k0y s SER 27 Cb 0.04 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2k0y s SER 27 CO 0.05 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2k0y n GLY 28 N 1.56 0.90 3.30 7.32 0.00 -1.26 -4.77 105.19 112.24 2k0y n GLY 28 Ca -0.00 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 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 5.73 -0.20 1.61 -1.08 -1.26 -4.61 116.67 112.86 2k0y s ASP 29 Ca 0.00 -1.43 0.15 0.00 -0.52 0.00 0.00 52.55 50.75 2k0y s ASP 29 Cb 0.00 -2.02 0.67 0.00 -1.46 0.00 0.00 42.92 40.11 2k0y s ASP 29 CO 0.00 -0.54 1.58 2.22 0.52 0.00 0.00 175.17 178.95 2k0y n PHE 30 N 4.97 1.49 0.20 -5.34 -1.74 -1.26 -4.68 117.46 111.11 2k0y n PHE 30 Ca -0.11 -0.78 0.17 0.00 -0.56 0.00 0.00 57.45 56.17 2k0y n PHE 30 Cb 0.43 -0.40 0.74 0.00 1.52 0.00 0.00 39.48 41.78 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 2.96 0.00 0.00 5.98 3.38 -1.93 0.17 115.31 125.88 2k0y h LEU 31 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2k0y h LEU 31 Cb 1.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 2k0y h LEU 31 CO 0.34 0.00 -1.52 -0.67 0.09 0.00 0.00 178.44 176.68 2k0y n ASP 32 N -3.27 0.43 -4.62 -0.43 2.03 -1.26 -2.26 116.55 107.17 2k0y n ASP 32 Ca 0.03 0.17 -0.43 0.00 0.52 0.00 0.00 54.79 55.08 2k0y n ASP 32 Cb 0.55 1.18 -0.02 0.00 -0.72 0.00 0.00 41.12 42.12 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 -4.98 3.82 0.35 -2.67 2.01 0.61 -4.90 118.68 112.93 2k0y s LEU 33 Ca -0.04 0.94 -0.26 0.00 0.01 0.00 0.00 54.13 54.78 2k0y s LEU 33 Cb 0.12 -3.54 -0.09 0.00 0.01 0.00 0.00 46.19 42.68 2k0y s LEU 33 CO 0.85 -1.06 1.03 -0.13 1.01 0.00 0.00 176.35 178.05 2k0y s ARG 34 N 4.07 4.40 0.20 1.70 0.52 -1.26 -4.38 118.95 124.20 2k0y s ARG 34 Ca 0.50 1.53 -0.10 0.00 -0.52 0.00 0.00 55.73 57.14 2k0y s ARG 34 Cb -0.12 -2.78 0.14 0.00 0.52 0.00 0.00 34.95 32.71 2k0y s ARG 34 CO 0.23 0.06 1.81 0.74 0.02 0.00 0.00 175.30 178.16 2k0y h PHE 35 N 3.02 1.01 -0.84 -0.53 0.04 -1.81 0.06 116.94 117.88 2k0y h PHE 35 Ca -0.47 -0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.35 2k0y h PHE 35 Cb 1.21 -0.32 -0.06 0.00 2.20 0.00 0.00 35.95 38.98 2k0y h PHE 35 CO 0.59 0.72 0.55 1.49 -0.60 0.00 0.00 178.31 181.06 2k0y h GLU 36 N 1.01 0.82 0.00 1.51 4.57 -1.82 0.29 114.58 120.96 2k0y h GLU 36 Ca 0.25 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.31 2k0y h GLU 36 Cb 0.06 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 2k0y h GLU 36 CO -0.04 0.54 -0.46 0.22 -1.18 0.00 0.00 179.01 178.10 2k0y h ASP 37 N 0.85 0.00 -0.60 1.04 3.58 -1.39 -2.98 116.42 116.92 2k0y h ASP 37 Ca 0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.83 2k0y h ASP 37 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2k0y h ASP 37 CO -0.15 0.36 0.00 2.30 -2.88 0.00 0.00 179.24 178.87 2k0y n ILE 38 N -3.15 1.82 -2.51 2.25 -5.35 -0.18 -4.93 119.36 107.31 2k0y n ILE 38 Ca 0.02 -1.12 -0.04 0.00 -0.27 0.00 0.00 62.75 61.34 2k0y n ILE 38 Cb 0.68 0.04 0.01 0.00 -1.74 0.00 0.00 39.64 38.63 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 1.02 0.54 3.37 3.28 0.00 -0.86 -5.04 105.19 107.51 2k0y n GLY 39 Ca 0.24 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.79 2.88 0.23 1.61 1.51 0.95 -5.01 117.35 116.73 2k0y s TYR 40 Ca 0.07 -0.68 -0.19 0.00 -1.01 0.00 0.00 57.07 55.27 2k0y s TYR 40 Cb -0.03 -1.92 -0.08 0.00 -0.11 0.00 0.00 41.96 39.82 2k0y s TYR 40 CO 0.09 -0.27 0.71 -0.51 -1.11 0.00 0.00 175.55 174.47 2k0y s ASP 41 N 0.62 7.00 0.50 2.29 1.11 -1.26 -3.71 116.67 123.21 2k0y s ASP 41 Ca -0.06 1.37 0.26 0.00 0.18 0.00 0.00 52.55 54.30 2k0y s ASP 41 Cb -0.15 -2.40 1.34 0.00 1.07 0.00 0.00 42.92 42.78 2k0y s ASP 41 CO 0.03 0.00 1.92 0.77 1.18 0.00 0.00 175.17 179.07 2k0y h SER 42 N 3.25 0.12 -0.44 0.27 4.64 -1.95 0.19 113.55 119.63 2k0y h SER 42 Ca -0.48 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.79 2k0y h SER 42 Cb 1.19 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2k0y h SER 42 CO 0.65 0.05 0.04 0.25 -0.87 0.00 0.00 176.83 176.95 2k0y h LEU 43 N 0.12 0.74 -1.04 5.97 5.85 -1.96 0.26 115.31 125.25 2k0y h LEU 43 Ca 0.38 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 2k0y h LEU 43 Cb 1.33 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 2k0y h LEU 43 CO -0.05 0.84 0.05 0.00 -0.34 0.00 0.00 178.44 178.94 2k0y h ALA 44 N 0.93 1.21 -0.60 1.25 0.00 -1.47 -2.10 119.26 118.48 2k0y h ALA 44 Ca 0.13 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2k0y h ALA 44 Cb 0.44 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2k0y h ALA 44 CO 0.02 0.53 -0.02 1.25 0.00 0.00 0.00 179.25 181.02 2k0y h LEU 45 N 0.71 1.05 -1.53 0.00 5.85 -0.53 -2.65 115.31 118.20 2k0y h LEU 45 Ca 0.15 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 2k0y h LEU 45 Cb 0.36 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2k0y h LEU 45 CO 0.01 1.11 -0.22 0.24 -0.34 0.00 0.00 178.44 179.24 2k0y h MET 46 N 0.96 0.02 -0.32 1.25 2.86 -0.09 -1.70 114.93 117.92 2k0y h MET 46 Ca 0.17 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 2k0y h MET 46 Cb 0.58 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 2k0y h MET 46 CO 0.03 0.24 0.12 1.49 1.06 0.00 0.00 176.91 179.86 2k0y h GLU 47 N 0.02 0.45 0.51 1.72 4.57 -1.03 0.32 114.58 121.15 2k0y h GLU 47 Ca 0.00 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 2k0y h GLU 47 Cb 0.40 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2k0y h GLU 47 CO 0.03 0.39 -0.25 1.15 -1.18 0.00 0.00 179.01 179.15 2k0y h THR 48 N 0.46 0.00 -0.78 0.32 2.02 -1.20 -3.00 112.91 110.73 2k0y h THR 48 Ca 0.11 -0.33 0.15 0.00 0.77 0.00 0.00 66.41 67.12 2k0y h THR 48 Cb 0.11 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.46 2k0y h THR 48 CO -0.01 0.00 0.52 0.00 0.37 0.00 0.00 175.52 176.40 2k0y h ALA 49 N -1.35 2.10 -0.22 6.16 0.00 -1.08 -1.50 119.26 123.37 2k0y h ALA 49 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k0y h ALA 49 Cb 0.53 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2k0y h ALA 49 CO 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 179.25 179.02 2k0y h ALA 50 N 1.64 0.16 -0.03 0.00 0.00 -0.31 0.30 119.26 121.03 2k0y h ALA 50 Ca 0.39 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.29 2k0y h ALA 50 Cb 0.87 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2k0y h ALA 50 CO -0.13 -0.45 -0.35 0.00 0.00 0.00 0.00 179.25 178.31 2k0y h ARG 51 N 0.03 0.05 -0.25 0.00 3.08 -1.13 -0.68 114.38 115.48 2k0y h ARG 51 Ca 0.10 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2k0y h ARG 51 Cb 0.15 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2k0y h ARG 51 CO -0.20 0.40 0.06 -0.07 -1.07 0.00 0.00 179.97 179.09 2k0y h LEU 52 N 0.04 0.37 -0.03 3.04 -0.00 -1.11 0.51 115.31 118.15 2k0y h LEU 52 Ca 0.00 -0.23 0.02 0.00 -0.00 0.00 0.00 57.88 57.68 2k0y h LEU 52 Cb 0.65 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.19 2k0y h LEU 52 CO 0.05 0.50 -0.10 -0.33 -0.00 0.00 0.00 178.44 178.56 2k0y h GLU 53 N 0.22 -0.16 0.21 1.13 5.08 -0.41 -0.26 114.58 120.40 2k0y h GLU 53 Ca 0.08 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2k0y h GLU 53 Cb 0.28 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2k0y h GLU 53 CO 0.00 -0.10 -0.10 0.66 -1.00 0.00 0.00 179.01 178.47 2k0y h SER 54 N -0.16 -0.24 -0.01 1.42 4.64 -1.08 -0.56 113.55 117.56 2k0y h SER 54 Ca 0.05 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2k0y h SER 54 Cb 0.22 0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2k0y h SER 54 CO -0.12 -0.02 -0.00 -0.09 -0.87 0.00 0.00 176.83 175.73 2k0y h ARG 55 N -0.45 0.02 0.00 4.77 2.43 -0.86 -3.33 114.38 116.96 2k0y h ARG 55 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2k0y h ARG 55 Cb 0.34 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2k0y h ARG 55 CO 0.05 0.33 -1.09 0.66 -1.51 0.00 0.00 179.97 178.41 2k0y n TYR 56 N -4.92 0.54 -1.26 2.20 4.01 -0.11 -4.99 117.16 112.62 2k0y n TYR 56 Ca -0.08 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 2k0y n TYR 56 Cb 0.18 -0.67 0.00 0.00 -0.31 0.00 0.00 39.34 38.54 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 1.28 0.07 3.30 2.72 0.00 -0.28 -4.72 105.19 107.56 2k0y n GLY 57 Ca 0.01 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.84 0.00 -0.20 1.61 0.11 -0.83 -5.03 120.40 113.22 2k0y s VAL 58 Ca 0.00 -1.92 -0.05 0.00 -2.93 0.00 0.00 61.98 57.08 2k0y s VAL 58 Cb 0.00 -2.51 0.07 0.00 -1.53 0.00 0.00 36.38 32.42 2k0y s VAL 58 CO 0.00 0.00 0.12 -0.94 -3.33 0.00 0.00 175.10 170.95 2k0y s SER 59 N -3.28 2.52 -0.34 3.54 1.04 -1.26 -4.53 113.70 111.38 2k0y s SER 59 Ca 0.38 -0.74 -0.09 0.00 0.48 0.00 0.00 55.95 55.98 2k0y s SER 59 Cb 0.03 -0.19 0.02 0.00 0.10 0.00 0.00 66.02 65.99 2k0y s SER 59 CO 0.21 -0.37 0.16 -0.63 0.98 0.00 0.00 173.24 173.59 2k0y s ILE 60 N 2.15 4.33 0.21 -1.02 1.01 -1.26 -5.06 121.20 121.56 2k0y s ILE 60 Ca 0.04 -0.81 -0.32 0.00 0.00 0.00 0.00 60.65 59.56 2k0y s ILE 60 Cb -0.16 -3.36 -0.12 0.00 0.01 0.00 0.00 42.46 38.83 2k0y s ILE 60 CO -0.17 -0.12 1.71 -0.81 0.00 0.00 0.00 174.94 175.55 2k0y n PRO 61 N 4.94 2.74 -0.34 2.79 -0.04 -1.26 -4.84 135.00 138.99 2k0y n PRO 61 Ca -0.13 0.99 0.14 0.00 -0.04 0.00 0.00 63.50 64.46 2k0y n PRO 61 Cb 0.47 -2.83 0.34 0.00 -0.04 0.00 0.00 33.50 31.44 2k0y n PRO 61 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2k0y h ASP 62 N 6.67 0.75 -0.45 3.54 5.19 -1.97 0.11 116.42 130.26 2k0y h ASP 62 Ca -0.43 0.09 -0.12 0.00 -0.62 0.00 0.00 57.03 55.95 2k0y h ASP 62 Cb 1.21 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 2k0y h ASP 62 CO 0.95 0.26 -0.16 -0.78 -3.12 0.00 0.00 179.24 176.39 2k0y h ASP 63 N 0.72 0.95 -0.01 6.45 3.58 -1.97 0.01 116.42 126.16 2k0y h ASP 63 Ca 0.57 -0.33 -0.25 0.00 0.42 0.00 0.00 57.03 57.45 2k0y h ASP 63 Cb 0.95 -0.26 0.02 0.00 1.72 0.00 0.00 39.33 41.75 2k0y h ASP 63 CO -0.36 1.09 -0.96 0.58 -2.88 0.00 0.00 179.24 176.70 2k0y h VAL 64 N 0.83 1.29 -0.73 2.25 2.07 -1.61 -2.57 116.25 117.77 2k0y h VAL 64 Ca 0.12 -2.19 0.04 0.00 0.82 0.00 0.00 66.70 65.50 2k0y h VAL 64 Cb 0.70 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 32.70 2k0y h VAL 64 CO 0.05 0.68 0.48 0.00 0.02 0.00 0.00 177.57 178.80 2k0y h ALA 65 N 0.48 1.62 -0.16 1.67 0.00 -0.58 0.42 119.26 122.70 2k0y h ALA 65 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k0y h ALA 65 Cb 1.61 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2k0y h ALA 65 CO 0.19 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.14 2k0y n GLY 66 N -1.44 0.18 0.05 0.00 0.00 -0.03 -3.75 105.19 100.20 2k0y n GLY 66 Ca 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.22 0.87 -2.21 1.61 3.00 0.08 -4.89 116.66 115.35 2k0y n ARG 67 Ca 0.15 -0.09 -0.41 0.00 -0.00 0.00 0.00 57.85 57.51 2k0y n ARG 67 Cb 0.30 -1.45 -0.03 0.00 0.00 0.00 0.00 32.46 31.28 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 -2.85 3.62 -0.16 5.15 -7.23 -0.85 -4.79 120.40 113.28 2k0y s VAL 68 Ca -0.08 0.53 0.18 0.00 -1.81 0.00 0.00 61.98 60.80 2k0y s VAL 68 Cb 0.08 -4.12 -0.05 0.00 0.56 0.00 0.00 36.38 32.86 2k0y s VAL 68 CO 0.75 -0.91 1.04 -0.78 -0.31 0.00 0.00 175.10 174.89 2k0y h ASP 69 N 12.44 0.00 -4.32 4.85 3.58 -1.91 -3.46 116.42 127.59 2k0y h ASP 69 Ca -0.28 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.56 2k0y h ASP 69 Cb 1.13 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 41.88 2k0y h ASP 69 CO 1.15 0.43 -0.86 0.42 -2.88 0.00 0.00 179.24 177.50 2k0y s THR 70 N -3.03 1.64 0.43 2.25 -4.23 -1.26 -2.42 115.64 109.02 2k0y s THR 70 Ca -0.01 -0.88 0.15 0.00 -1.18 0.00 0.00 61.69 59.78 2k0y s THR 70 Cb 0.08 -1.37 0.35 0.00 1.34 0.00 0.00 72.50 72.90 2k0y s THR 70 CO 0.79 0.47 1.93 -0.65 -0.54 0.00 0.00 174.62 176.61 2k0y h PRO 71 N 5.75 0.41 -0.70 3.99 0.11 -1.75 -1.43 132.00 138.38 2k0y h PRO 71 Ca -0.38 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.84 2k0y h PRO 71 Cb 1.15 -0.09 -0.09 0.00 0.11 0.00 0.00 31.00 32.07 2k0y h PRO 71 CO 0.48 0.27 0.24 0.07 -0.21 0.00 0.00 178.00 178.85 2k0y h ARG 72 N 0.42 0.38 -0.34 1.05 0.11 -1.78 0.31 114.38 114.52 2k0y h ARG 72 Ca 0.35 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.38 2k0y h ARG 72 Cb 0.78 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.77 2k0y h ARG 72 CO -0.11 0.25 0.09 0.93 0.10 0.00 0.00 179.97 181.23 2k0y h GLU 73 N 0.39 0.54 -0.21 0.08 4.39 -1.57 -1.97 114.58 116.22 2k0y h GLU 73 Ca 0.37 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.91 2k0y h GLU 73 Cb 0.55 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2k0y h GLU 73 CO -0.39 0.59 -0.03 1.25 -1.16 0.00 0.00 179.01 179.26 2k0y h LEU 74 N 0.40 0.40 -0.47 1.33 6.46 -1.19 0.13 115.31 122.37 2k0y h LEU 74 Ca 0.11 -0.35 0.04 0.00 -0.12 0.00 0.00 57.88 57.56 2k0y h LEU 74 Cb 0.28 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 2k0y h LEU 74 CO -0.00 0.66 0.24 0.25 -0.62 0.00 0.00 178.44 178.96 2k0y h LEU 75 N 0.14 0.34 -0.54 2.25 5.85 -0.39 -1.01 115.31 121.95 2k0y h LEU 75 Ca 0.06 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2k0y h LEU 75 Cb 0.47 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2k0y h LEU 75 CO 0.02 0.24 0.22 -0.78 -0.34 0.00 0.00 178.44 177.80 2k0y h ASP 76 N 0.47 0.74 0.08 1.25 3.58 -1.15 -1.89 116.42 119.51 2k0y h ASP 76 Ca 0.21 -0.16 0.01 0.00 0.42 0.00 0.00 57.03 57.50 2k0y h ASP 76 Cb 0.12 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 2k0y h ASP 76 CO -0.15 0.70 -0.14 0.25 -2.88 0.00 0.00 179.24 177.03 2k0y h LEU 77 N 0.73 -0.38 -0.17 2.28 5.85 0.02 0.31 115.31 123.95 2k0y h LEU 77 Ca 0.18 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 2k0y h LEU 77 Cb 0.19 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2k0y h LEU 77 CO -0.02 -0.20 -0.07 0.40 -0.34 0.00 0.00 178.44 178.21 2k0y h ILE 78 N -0.27 1.31 -0.80 4.05 2.04 -1.19 0.45 117.51 123.10 2k0y h ILE 78 Ca 0.02 -1.11 0.08 0.00 1.00 0.00 0.00 64.86 64.85 2k0y h ILE 78 Cb 0.29 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 37.99 2k0y h ILE 78 CO -0.08 0.33 0.47 0.78 0.00 0.00 0.00 178.15 179.65 2k0y h ASN 79 N 0.02 0.69 -0.18 1.72 2.35 -1.19 0.19 115.58 119.18 2k0y h ASN 79 Ca 0.04 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 2k0y h ASN 79 Cb 0.54 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 2k0y h ASN 79 CO 0.02 0.42 -0.07 1.23 -1.65 0.00 0.00 177.43 177.38 2k0y h GLY 80 N 0.82 0.40 1.47 2.83 0.00 -0.21 -0.51 103.07 107.87 2k0y h GLY 80 Ca 0.37 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 2k0y h GLY 80 CO -0.22 0.32 -0.21 0.00 0.00 0.00 0.00 176.54 176.43 2k0y h ALA 81 N 0.70 1.02 -0.41 3.60 0.00 -0.54 -0.45 119.26 123.17 2k0y h ALA 81 Ca 0.04 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 2k0y h ALA 81 Cb 0.54 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k0y h ALA 81 CO 0.02 0.59 -0.32 -0.07 0.00 0.00 0.00 179.25 179.47 2k0y h LEU 82 N 0.55 0.97 -0.59 0.00 3.38 -0.61 -2.41 115.31 116.60 2k0y h LEU 82 Ca 0.08 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 2k0y h LEU 82 Cb 0.67 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2k0y h LEU 82 CO 0.05 1.20 0.21 0.00 0.09 0.00 0.00 178.44 179.99 2k0y h ALA 83 N 0.86 0.77 -0.17 1.53 0.00 -0.64 -2.41 119.26 119.20 2k0y h ALA 83 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k0y h ALA 83 Cb 0.89 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k0y h ALA 83 CO 0.08 0.40 0.00 0.39 0.00 0.00 0.00 179.25 180.12 2k0y n GLU 84 N -4.45 1.61 -2.63 0.00 -0.58 -0.22 -4.41 120.64 109.97 2k0y n GLU 84 Ca 0.03 -0.69 -0.43 0.00 -0.42 0.00 0.00 57.16 55.65 2k0y n GLU 84 Cb 0.18 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 2k0y n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k0y n ALA 85 N 0.07 4.87 -0.51 0.62 0.00 -0.91 -5.03 120.51 119.63 2k0y n ALA 85 Ca 0.06 -4.36 0.00 0.00 0.00 0.00 0.00 53.44 49.14 2k0y n ALA 85 Cb 0.27 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 16.81 2k0y n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50