#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 -0.34 -0.48 -5.12 0.00 -1.26 -5.10 121.76 109.46 2k0y s ALA 2 Ca 0.00 0.52 -0.28 0.00 0.00 0.00 0.00 51.96 52.20 2k0y s ALA 2 Cb 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 2k0y s ALA 2 CO 0.00 -0.10 1.58 0.95 0.00 0.00 0.00 175.76 178.19 2k0y s THR 3 N 0.46 3.67 0.16 0.00 -4.23 -1.26 -4.78 115.64 109.67 2k0y s THR 3 Ca -0.03 0.61 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 2k0y s THR 3 Cb -0.05 -4.11 0.00 0.00 1.34 0.00 0.00 72.50 69.68 2k0y s THR 3 CO -0.02 -0.85 0.00 0.18 -0.54 0.00 0.00 174.62 173.39 2k0y n LEU 4 N 10.11 -0.30 -4.23 4.79 4.32 -1.26 -4.98 117.00 125.45 2k0y n LEU 4 Ca 0.17 0.69 -0.23 0.00 -0.02 0.00 0.00 56.01 56.62 2k0y n LEU 4 Cb 0.49 -1.70 -0.13 0.00 -1.62 0.00 0.00 43.42 40.46 2k0y n LEU 4 CO 0.70 -1.25 -0.50 -0.76 -1.22 0.00 0.00 177.39 174.36 2k0y s LEU 5 N -5.11 2.23 0.48 2.23 1.43 -1.26 -5.10 118.68 113.58 2k0y s LEU 5 Ca 0.00 -0.58 0.08 0.00 -1.03 0.00 0.00 54.13 52.60 2k0y s LEU 5 Cb 0.00 -0.82 0.04 0.00 0.03 0.00 0.00 46.19 45.44 2k0y s LEU 5 CO 0.00 0.07 0.66 0.42 0.23 0.00 0.00 176.35 177.73 2k0y s THR 6 N -0.99 2.70 0.49 5.49 -4.23 -1.26 -4.93 115.64 112.91 2k0y s THR 6 Ca 0.05 -0.97 0.15 0.00 -1.18 0.00 0.00 61.69 59.74 2k0y s THR 6 Cb -0.09 -2.73 0.29 0.00 1.34 0.00 0.00 72.50 71.31 2k0y s THR 6 CO 0.03 0.00 2.09 0.74 -0.54 0.00 0.00 174.62 176.94 2k0y h THR 7 N 0.44 0.98 0.05 3.99 2.02 -1.98 -0.45 112.91 117.95 2k0y h THR 7 Ca -0.37 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 2k0y h THR 7 Cb 1.28 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2k0y h THR 7 CO 0.44 0.03 -0.02 0.44 0.37 0.00 0.00 175.52 176.78 2k0y h ASP 8 N 0.16 -0.06 -0.28 4.18 3.32 -1.94 0.19 116.42 122.00 2k0y h ASP 8 Ca 0.10 -0.28 -0.13 0.00 0.02 0.00 0.00 57.03 56.74 2k0y h ASP 8 Cb 0.18 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2k0y h ASP 8 CO -0.02 0.25 -0.28 -0.78 -1.72 0.00 0.00 179.24 176.69 2k0y h ASP 9 N -0.37 0.81 -0.59 6.45 1.82 -1.88 -2.96 116.42 119.70 2k0y h ASP 9 Ca -0.01 -0.32 -0.03 0.00 -0.39 0.00 0.00 57.03 56.29 2k0y h ASP 9 Cb 0.33 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.09 2k0y h ASP 9 CO 0.01 1.04 0.27 0.25 -1.61 0.00 0.00 179.24 179.20 2k0y h LEU 10 N 0.67 0.79 -1.19 2.28 5.85 -0.99 -1.94 115.31 120.78 2k0y h LEU 10 Ca 0.08 -0.14 0.22 0.00 0.84 0.00 0.00 57.88 58.88 2k0y h LEU 10 Cb 0.81 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.54 2k0y h LEU 10 CO 0.07 0.71 0.62 -0.09 -0.34 0.00 0.00 178.44 179.42 2k0y h ARG 11 N 0.81 0.56 -0.07 1.25 2.43 -0.45 -0.54 114.38 118.37 2k0y h ARG 11 Ca 0.20 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 2k0y h ARG 11 Cb 0.15 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2k0y h ARG 11 CO -0.02 0.37 -0.11 -0.09 -1.51 0.00 0.00 179.97 178.61 2k0y h ARG 12 N 0.58 -0.15 -0.61 0.20 2.43 -1.29 -2.00 114.38 113.54 2k0y h ARG 12 Ca 0.58 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.73 2k0y h ARG 12 Cb 1.16 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 2k0y h ARG 12 CO -0.34 -0.10 0.26 0.00 -1.51 0.00 0.00 179.97 178.28 2k0y h ALA 13 N 0.88 1.30 0.00 2.80 0.00 -1.15 0.16 119.26 123.25 2k0y h ALA 13 Ca 0.07 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2k0y h ALA 13 Cb 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k0y h ALA 13 CO -0.16 0.53 -0.33 -0.07 0.00 0.00 0.00 179.25 179.21 2k0y h LEU 14 N 0.87 0.00 0.11 0.00 -0.00 -1.21 -2.00 115.31 113.08 2k0y h LEU 14 Ca 0.21 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.79 2k0y h LEU 14 Cb 0.15 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 40.84 2k0y h LEU 14 CO -0.02 0.33 -1.24 0.58 -0.00 0.00 0.00 178.44 178.09 2k0y h VAL 15 N 0.00 1.28 0.06 1.22 2.07 -0.22 -3.08 116.25 117.58 2k0y h VAL 15 Ca -0.00 -2.44 0.02 0.00 0.82 0.00 0.00 66.70 65.09 2k0y h VAL 15 Cb 0.60 2.67 -0.03 0.00 -1.52 0.00 0.00 31.29 33.00 2k0y h VAL 15 CO 0.04 0.75 -0.20 -0.33 0.02 0.00 0.00 177.57 177.85 2k0y h GLU 16 N 0.29 -0.34 0.00 1.57 4.39 -0.47 0.24 114.58 120.27 2k0y h GLU 16 Ca -0.19 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.54 2k0y h GLU 16 Cb 1.91 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.63 2k0y h GLU 16 CO 0.24 -0.22 0.00 0.77 -1.16 0.00 0.00 179.01 178.63 2k0y h SER 17 N -0.35 0.00 0.00 1.42 0.02 -1.51 -3.26 113.55 109.88 2k0y h SER 17 Ca 0.04 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.87 2k0y h SER 17 Cb 0.39 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2k0y h SER 17 CO -0.14 0.00 -0.68 0.00 -1.14 0.00 0.00 176.83 174.87 2k0y h ALA 18 N 2.13 0.13 -0.38 3.77 0.00 -1.33 -3.48 119.26 120.11 2k0y h ALA 18 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2k0y h ALA 18 Cb 0.79 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2k0y h ALA 18 CO 0.00 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.06 2k0y n GLY 19 N 1.53 1.48 2.89 0.00 0.00 0.79 -4.27 105.19 107.60 2k0y n GLY 19 Ca -0.20 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 1.16 0.00 1.61 2.02 -1.26 -4.91 118.70 117.32 2k0y s GLU 20 Ca 0.00 -1.56 0.00 0.00 0.02 0.00 0.00 54.97 53.43 2k0y s GLU 20 Cb 0.00 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.57 2k0y s GLU 20 CO 0.00 -0.97 0.00 2.41 0.02 0.00 0.00 175.26 176.72 2k0y n THR 21 N 4.46 0.00 -3.64 3.63 -1.04 -1.26 -5.14 114.28 111.28 2k0y n THR 21 Ca 0.02 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.00 2k0y n THR 21 Cb 0.42 -0.01 -0.07 0.00 -1.82 0.00 0.00 70.33 68.85 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 1.00 -0.38 -1.20 8.00 2.15 -1.26 -5.06 116.67 119.93 2k0y s ASP 22 Ca 0.00 0.63 -0.12 0.00 0.43 0.00 0.00 52.55 53.49 2k0y s ASP 22 Cb 0.00 1.03 0.19 0.00 -0.30 0.00 0.00 42.92 43.84 2k0y s ASP 22 CO 0.00 -0.10 1.42 0.61 -0.17 0.00 0.00 175.17 176.93 2k0y n GLY 23 N 3.16 3.69 3.31 2.66 0.00 -1.26 -4.91 105.19 111.84 2k0y n GLY 23 Ca -0.17 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.34 2k0y n GLY 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k0y n THR 24 N 4.07 1.70 -3.40 2.61 -1.04 -1.26 -3.90 114.28 113.07 2k0y n THR 24 Ca 0.35 -1.60 -0.22 0.00 -2.04 0.00 0.00 64.05 60.53 2k0y n THR 24 Cb 0.41 -2.24 0.07 0.00 -1.82 0.00 0.00 70.33 66.75 2k0y n THR 24 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2k0y n ASP 25 N 10.29 -6.02 0.15 8.00 2.03 -1.26 -4.89 116.55 124.86 2k0y n ASP 25 Ca 0.48 -0.45 0.13 0.00 0.52 0.00 0.00 54.79 55.47 2k0y n ASP 25 Cb 0.43 -4.68 0.38 0.00 -0.72 0.00 0.00 41.12 36.53 2k0y n ASP 25 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2k0y h LEU 26 N -2.26 0.00 -9.77 -2.67 4.07 -1.90 -3.44 115.31 99.35 2k0y h LEU 26 Ca -0.52 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 56.91 2k0y h LEU 26 Cb 1.34 0.00 0.08 0.00 1.08 0.00 0.00 40.66 43.16 2k0y h LEU 26 CO 0.52 0.00 0.93 -0.24 -1.08 0.00 0.00 178.44 178.57 2k0y n SER 27 N -2.54 3.96 0.00 -0.43 2.88 -1.26 -4.19 113.62 112.03 2k0y n SER 27 Ca 0.04 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 2k0y n SER 27 Cb 0.42 -1.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.28 2k0y n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k0y n GLY 28 N 2.67 1.48 3.07 0.46 0.00 -1.26 -4.78 105.19 106.84 2k0y n GLY 28 Ca 0.10 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 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 1.56 -0.02 1.61 -1.08 -1.26 -4.48 116.67 109.00 2k0y s ASP 29 Ca 0.00 -0.25 0.03 0.00 -0.52 0.00 0.00 52.55 51.81 2k0y s ASP 29 Cb 0.00 -0.32 0.04 0.00 -1.46 0.00 0.00 42.92 41.18 2k0y s ASP 29 CO 0.00 0.13 1.02 2.22 0.52 0.00 0.00 175.17 179.06 2k0y n PHE 30 N 3.03 0.00 0.26 -5.34 -1.74 -1.26 -4.86 117.46 107.55 2k0y n PHE 30 Ca -0.16 -0.12 0.18 0.00 -0.56 0.00 0.00 57.45 56.78 2k0y n PHE 30 Cb 0.54 -0.06 0.86 0.00 1.52 0.00 0.00 39.48 42.35 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 0.01 0.00 0.00 5.98 3.38 -1.95 0.61 115.31 123.35 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 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2k0y h LEU 31 CO 0.00 0.00 -0.88 -0.67 0.09 0.00 0.00 178.44 176.98 2k0y n ASP 32 N -3.29 0.64 -4.72 -0.43 2.03 -1.26 -2.74 116.55 106.78 2k0y n ASP 32 Ca 0.00 -0.10 -0.42 0.00 0.52 0.00 0.00 54.79 54.80 2k0y n ASP 32 Cb 0.37 0.58 -0.04 0.00 -0.72 0.00 0.00 41.12 41.31 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 -4.00 4.42 0.21 -2.67 2.01 0.21 -5.00 118.68 113.85 2k0y s LEU 33 Ca 0.05 1.70 -0.30 0.00 0.01 0.00 0.00 54.13 55.59 2k0y s LEU 33 Cb 0.14 -3.57 -0.08 0.00 0.01 0.00 0.00 46.19 42.69 2k0y s LEU 33 CO 0.77 -0.18 1.05 -0.13 1.01 0.00 0.00 176.35 178.87 2k0y s ARG 34 N 0.62 4.67 0.28 1.70 1.81 -1.26 -4.17 118.95 122.60 2k0y s ARG 34 Ca 0.50 1.66 -0.02 0.00 -1.72 0.00 0.00 55.73 56.15 2k0y s ARG 34 Cb -0.22 -3.27 0.38 0.00 -0.45 0.00 0.00 34.95 31.39 2k0y s ARG 34 CO 0.29 0.22 1.85 0.74 -0.68 0.00 0.00 175.30 177.71 2k0y h PHE 35 N 4.65 0.95 -0.67 -0.53 0.04 -0.97 -0.41 116.94 120.00 2k0y h PHE 35 Ca -0.45 -0.06 0.12 0.00 2.80 0.00 0.00 57.97 60.38 2k0y h PHE 35 Cb 1.21 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 39.03 2k0y h PHE 35 CO 0.62 0.73 0.45 1.49 -0.60 0.00 0.00 178.31 181.00 2k0y h GLU 36 N 0.93 0.40 0.12 1.51 4.57 -1.75 0.32 114.58 120.67 2k0y h GLU 36 Ca 0.22 -0.02 -0.29 0.00 -1.18 0.00 0.00 59.36 58.09 2k0y h GLU 36 Cb 0.18 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2k0y h GLU 36 CO -0.02 0.27 -1.39 0.22 -1.18 0.00 0.00 179.01 176.91 2k0y h ASP 37 N 0.41 0.39 -0.34 1.04 1.82 -1.48 -3.22 116.42 115.04 2k0y h ASP 37 Ca 0.32 -0.47 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 2k0y h ASP 37 Cb 0.68 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.57 2k0y h ASP 37 CO -0.09 1.38 0.00 2.30 -1.61 0.00 0.00 179.24 181.22 2k0y n ILE 38 N -3.48 1.10 -2.15 2.25 -5.35 -0.48 -4.86 119.36 106.38 2k0y n ILE 38 Ca -0.12 -0.65 -0.14 0.00 -0.27 0.00 0.00 62.75 61.57 2k0y n ILE 38 Cb 1.03 -0.14 -0.01 0.00 -1.74 0.00 0.00 39.64 38.78 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 0.63 0.01 3.53 3.28 0.00 -0.77 -4.83 105.19 107.04 2k0y n GLY 39 Ca 0.14 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2k0y n GLY 39 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2k0y s TYR 40 N -2.67 3.20 0.34 1.61 6.14 0.10 -5.01 117.35 121.07 2k0y s TYR 40 Ca 0.00 -0.13 -0.16 0.00 0.64 0.00 0.00 57.07 57.42 2k0y s TYR 40 Cb 0.00 -2.70 -0.09 0.00 0.42 0.00 0.00 41.96 39.59 2k0y s TYR 40 CO 0.00 -0.49 0.76 -0.51 0.64 0.00 0.00 175.55 175.95 2k0y s ASP 41 N 1.74 6.79 0.45 4.32 1.01 -1.26 -4.05 116.67 125.67 2k0y s ASP 41 Ca 0.11 1.33 0.22 0.00 0.71 0.00 0.00 52.55 54.92 2k0y s ASP 41 Cb -0.17 -2.39 1.21 0.00 1.01 0.00 0.00 42.92 42.58 2k0y s ASP 41 CO 0.12 -0.22 1.84 0.77 0.21 0.00 0.00 175.17 177.88 2k0y h SER 42 N 2.21 0.30 -0.04 0.27 4.64 -1.94 0.18 113.55 119.17 2k0y h SER 42 Ca -0.48 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2k0y h SER 42 Cb 1.17 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2k0y h SER 42 CO 0.65 0.10 0.01 0.25 -0.87 0.00 0.00 176.83 176.96 2k0y h LEU 43 N 0.29 0.06 -1.07 5.97 7.12 -1.95 0.32 115.31 126.06 2k0y h LEU 43 Ca 0.50 -0.27 -0.03 0.00 0.13 0.00 0.00 57.88 58.22 2k0y h LEU 43 Cb 1.45 -0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 41.53 2k0y h LEU 43 CO -0.16 0.31 0.33 0.00 -0.13 0.00 0.00 178.44 178.79 2k0y h ALA 44 N 0.75 1.28 -0.30 1.25 0.00 -1.60 -0.30 119.26 120.33 2k0y h ALA 44 Ca 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2k0y h ALA 44 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2k0y h ALA 44 CO 0.00 0.56 0.13 1.25 0.00 0.00 0.00 179.25 181.19 2k0y h LEU 45 N 0.98 0.40 -1.12 0.00 5.85 -0.40 0.17 115.31 121.20 2k0y h LEU 45 Ca 0.24 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 2k0y h LEU 45 Cb 0.10 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2k0y h LEU 45 CO -0.03 0.44 0.17 0.24 -0.34 0.00 0.00 178.44 178.93 2k0y h MET 46 N 0.34 0.79 -0.09 1.25 2.86 0.11 -0.84 114.93 119.34 2k0y h MET 46 Ca 0.10 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 2k0y h MET 46 Cb 0.16 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2k0y h MET 46 CO -0.01 0.69 -0.18 1.49 1.06 0.00 0.00 176.91 179.96 2k0y h GLU 47 N 0.78 0.15 0.39 1.72 4.81 -0.58 0.47 114.58 122.31 2k0y h GLU 47 Ca 0.18 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2k0y h GLU 47 Cb 0.22 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2k0y h GLU 47 CO -0.01 0.33 -0.19 1.15 -0.73 0.00 0.00 179.01 179.56 2k0y h THR 48 N 0.14 0.56 -0.92 0.32 2.02 0.03 -0.54 112.91 114.52 2k0y h THR 48 Ca 0.03 -0.49 0.08 0.00 0.77 0.00 0.00 66.41 66.80 2k0y h THR 48 Cb 0.40 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 2k0y h THR 48 CO 0.03 0.08 0.59 0.00 0.37 0.00 0.00 175.52 176.59 2k0y h ALA 49 N -0.38 1.55 -0.23 6.16 0.00 -0.96 -1.54 119.26 123.86 2k0y h ALA 49 Ca -0.05 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2k0y h ALA 49 Cb 0.54 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2k0y h ALA 49 CO 0.09 0.29 0.05 0.00 0.00 0.00 0.00 179.25 179.68 2k0y h ALA 50 N 1.52 0.24 -0.73 0.00 0.00 0.29 0.42 119.26 121.01 2k0y h ALA 50 Ca 0.41 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.31 2k0y h ALA 50 Cb 0.29 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2k0y h ALA 50 CO -0.17 -0.37 0.25 0.00 0.00 0.00 0.00 179.25 178.96 2k0y h ARG 51 N 0.14 1.11 -0.54 0.00 3.08 -0.55 -0.93 114.38 116.70 2k0y h ARG 51 Ca 0.11 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 2k0y h ARG 51 Cb 0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2k0y h ARG 51 CO -0.14 0.94 0.07 -0.07 -1.07 0.00 0.00 179.97 179.70 2k0y h LEU 52 N 1.08 0.87 -0.24 3.04 3.38 -0.57 0.90 115.31 123.75 2k0y h LEU 52 Ca 0.24 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2k0y h LEU 52 Cb 0.27 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2k0y h LEU 52 CO -0.01 0.92 0.06 -0.33 0.09 0.00 0.00 178.44 179.17 2k0y h GLU 53 N 0.79 0.16 -0.43 1.13 5.08 0.24 0.11 114.58 121.65 2k0y h GLU 53 Ca 0.16 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2k0y h GLU 53 Cb 0.43 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2k0y h GLU 53 CO 0.01 0.11 0.16 0.77 -1.00 0.00 0.00 179.01 179.06 2k0y h SER 54 N 0.17 0.61 -0.37 1.42 0.02 -1.02 0.18 113.55 114.55 2k0y h SER 54 Ca 0.11 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 2k0y h SER 54 Cb 0.09 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2k0y h SER 54 CO -0.13 0.62 0.01 -0.09 -1.14 0.00 0.00 176.83 176.11 2k0y h ARG 55 N 0.56 0.64 0.00 3.45 2.43 -0.50 -3.33 114.38 117.63 2k0y h ARG 55 Ca 0.14 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2k0y h ARG 55 Cb 0.21 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2k0y h ARG 55 CO -0.01 0.74 -1.78 0.66 -1.51 0.00 0.00 179.97 178.07 2k0y n TYR 56 N -4.50 0.00 -1.21 2.20 4.01 0.35 -4.80 117.16 113.20 2k0y n TYR 56 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2k0y n TYR 56 Cb 0.27 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 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 1.37 0.68 3.29 2.72 0.00 0.59 -4.96 105.19 108.88 2k0y n GLY 57 Ca -0.03 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 2k0y n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k0y s VAL 58 N -2.81 0.05 -0.09 1.61 -7.23 -1.02 -5.01 120.40 105.90 2k0y s VAL 58 Ca 0.00 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 2k0y s VAL 58 Cb 0.00 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.49 2k0y s VAL 58 CO 0.00 0.00 0.08 -0.44 -0.31 0.00 0.00 175.10 174.43 2k0y s SER 59 N -3.36 1.60 -0.19 4.85 0.01 -1.26 -4.70 113.70 110.64 2k0y s SER 59 Ca 0.39 -0.18 -0.09 0.00 1.31 0.00 0.00 55.95 57.38 2k0y s SER 59 Cb 0.03 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 2k0y s SER 59 CO 0.24 -0.29 0.11 -0.63 0.41 0.00 0.00 173.24 173.09 2k0y s ILE 60 N 2.17 5.24 0.14 1.44 1.01 -1.26 -4.97 121.20 124.97 2k0y s ILE 60 Ca 0.04 0.13 -0.32 0.00 0.00 0.00 0.00 60.65 60.50 2k0y s ILE 60 Cb -0.14 -3.38 -0.12 0.00 0.01 0.00 0.00 42.46 38.84 2k0y s ILE 60 CO -0.06 0.45 1.78 -2.65 0.00 0.00 0.00 174.94 174.47 2k0y n PRO 61 N 3.47 2.68 -0.03 2.79 -0.02 -1.26 -4.91 135.00 137.72 2k0y n PRO 61 Ca -0.16 0.97 -0.09 0.00 -2.02 0.00 0.00 63.50 62.20 2k0y n PRO 61 Cb 0.52 -2.84 -0.03 0.00 -0.02 0.00 0.00 33.50 31.14 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 7.81 -0.88 0.70 2.55 5.19 -1.99 -0.32 116.42 129.48 2k0y h ASP 62 Ca -0.45 0.14 -0.11 0.00 -0.62 0.00 0.00 57.03 55.99 2k0y h ASP 62 Cb 1.22 0.40 -0.02 0.00 0.18 0.00 0.00 39.33 41.11 2k0y h ASP 62 CO 0.94 -0.31 -0.51 0.44 -3.12 0.00 0.00 179.24 176.68 2k0y h ASP 63 N -0.31 0.00 0.00 6.45 5.19 -1.97 -2.42 116.42 123.35 2k0y h ASP 63 Ca 0.12 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.34 2k0y h ASP 63 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 2k0y h ASP 63 CO -0.38 0.51 -0.69 0.58 -3.12 0.00 0.00 179.24 176.14 2k0y h VAL 64 N 0.00 1.32 -0.10 -1.35 2.07 -1.83 -2.65 116.25 113.71 2k0y h VAL 64 Ca -0.01 -1.97 0.03 0.00 0.82 0.00 0.00 66.70 65.58 2k0y h VAL 64 Cb 1.00 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2k0y h VAL 64 CO 0.07 0.61 0.13 0.00 0.02 0.00 0.00 177.57 178.40 2k0y h ALA 65 N 0.77 1.65 -0.45 1.67 0.00 -0.58 -0.00 119.26 122.33 2k0y h ALA 65 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k0y h ALA 65 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2k0y h ALA 65 CO 0.13 -0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.62 2k0y n GLY 66 N -1.35 2.89 0.02 0.00 0.00 -1.06 -4.36 105.19 101.32 2k0y n GLY 66 Ca -0.00 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.47 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 0.66 0.66 -2.47 1.61 0.63 -0.03 -4.95 116.66 112.78 2k0y n ARG 67 Ca 0.17 -0.12 -0.43 0.00 -0.92 0.00 0.00 57.85 56.55 2k0y n ARG 67 Cb 0.59 -1.38 -0.02 0.00 0.45 0.00 0.00 32.46 32.09 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 4.22 -0.11 5.15 -7.23 -1.11 -4.86 120.40 113.46 2k0y s VAL 68 Ca -0.06 1.40 0.20 0.00 -1.81 0.00 0.00 61.98 61.71 2k0y s VAL 68 Cb 0.09 -4.20 -0.26 0.00 0.56 0.00 0.00 36.38 32.58 2k0y s VAL 68 CO 0.66 -0.45 0.45 -0.67 -0.31 0.00 0.00 175.10 174.78 2k0y n ASP 69 N 7.39 0.19 -4.43 4.85 2.03 -1.26 -4.93 116.55 120.39 2k0y n ASP 69 Ca 0.14 0.08 -0.31 0.00 0.52 0.00 0.00 54.79 55.22 2k0y n ASP 69 Cb 0.47 1.32 -0.13 0.00 -0.72 0.00 0.00 41.12 42.05 2k0y n ASP 69 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2k0y s THR 70 N -3.12 2.67 0.50 5.18 -4.23 -1.26 -0.30 115.64 115.08 2k0y s THR 70 Ca -0.07 -1.15 0.15 0.00 -1.18 0.00 0.00 61.69 59.44 2k0y s THR 70 Cb 0.11 -2.09 0.28 0.00 1.34 0.00 0.00 72.50 72.14 2k0y s THR 70 CO 0.86 0.39 2.11 -0.65 -0.54 0.00 0.00 174.62 176.80 2k0y h PRO 71 N 4.75 0.11 -0.65 3.99 0.11 -1.72 -1.65 132.00 136.94 2k0y h PRO 71 Ca -0.47 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.72 2k0y h PRO 71 Cb 1.15 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 2k0y h PRO 71 CO 0.47 0.07 0.30 0.07 -0.21 0.00 0.00 178.00 178.70 2k0y h ARG 72 N 0.11 0.51 -0.26 1.05 0.11 -1.84 0.56 114.38 114.62 2k0y h ARG 72 Ca 0.06 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 60.08 2k0y h ARG 72 Cb 0.11 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.06 2k0y h ARG 72 CO -0.01 0.34 0.04 0.93 0.10 0.00 0.00 179.97 181.37 2k0y h GLU 73 N 0.53 0.43 -0.30 0.08 5.08 -1.62 -1.28 114.58 117.49 2k0y h GLU 73 Ca 0.32 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2k0y h GLU 73 Cb 0.34 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2k0y h GLU 73 CO -0.27 0.55 0.01 1.25 -1.00 0.00 0.00 179.01 179.55 2k0y h LEU 74 N 0.24 0.52 0.23 1.33 7.12 -1.04 0.12 115.31 123.82 2k0y h LEU 74 Ca 0.08 -0.30 0.00 0.00 0.13 0.00 0.00 57.88 57.79 2k0y h LEU 74 Cb 0.33 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.30 2k0y h LEU 74 CO 0.01 0.70 -0.23 0.25 -0.13 0.00 0.00 178.44 179.03 2k0y h LEU 75 N 0.33 -0.62 -1.23 2.25 5.85 0.13 -1.08 115.31 120.93 2k0y h LEU 75 Ca 0.09 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2k0y h LEU 75 Cb 0.43 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 2k0y h LEU 75 CO 0.01 -0.34 0.52 -0.78 -0.34 0.00 0.00 178.44 177.51 2k0y h ASP 76 N -0.49 0.90 0.01 1.25 3.58 -1.07 0.48 116.42 121.07 2k0y h ASP 76 Ca -0.00 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 2k0y h ASP 76 Cb 0.46 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2k0y h ASP 76 CO -0.06 0.65 -0.00 0.25 -2.88 0.00 0.00 179.24 177.20 2k0y h LEU 77 N 1.06 -0.01 -0.89 2.28 5.85 -0.48 0.21 115.31 123.33 2k0y h LEU 77 Ca 0.29 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 2k0y h LEU 77 Cb -0.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2k0y h LEU 77 CO -0.06 0.04 -0.51 0.40 -0.34 0.00 0.00 178.44 177.96 2k0y h ILE 78 N -0.06 1.36 -0.83 4.05 2.04 -0.45 -1.41 117.51 122.22 2k0y h ILE 78 Ca -0.00 -1.77 -0.03 0.00 1.00 0.00 0.00 64.86 64.06 2k0y h ILE 78 Cb 0.06 1.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 2k0y h ILE 78 CO 0.00 0.51 0.40 0.78 0.00 0.00 0.00 178.15 179.84 2k0y h ASN 79 N 0.08 1.08 -0.49 1.72 -0.26 0.28 0.23 115.58 118.23 2k0y h ASN 79 Ca 0.00 -0.13 -0.10 0.00 -0.56 0.00 0.00 56.30 55.51 2k0y h ASN 79 Cb 0.94 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.90 2k0y h ASN 79 CO 0.07 0.91 -0.07 1.23 -1.06 0.00 0.00 177.43 178.51 2k0y h GLY 80 N 1.19 1.03 1.31 2.83 0.00 0.09 0.27 103.07 109.80 2k0y h GLY 80 Ca 0.29 -0.79 -0.13 0.00 0.00 0.00 0.00 47.33 46.69 2k0y h GLY 80 CO -0.04 0.72 -0.32 0.00 0.00 0.00 0.00 176.54 176.91 2k0y h ALA 81 N 1.05 0.77 0.00 3.60 0.00 -0.76 -2.44 119.26 121.48 2k0y h ALA 81 Ca 0.14 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2k0y h ALA 81 Cb 0.61 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2k0y h ALA 81 CO 0.04 0.65 -0.07 -0.07 0.00 0.00 0.00 179.25 179.80 2k0y h LEU 82 N 0.66 0.00 -1.48 0.00 3.38 -0.32 -2.62 115.31 114.92 2k0y h LEU 82 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2k0y h LEU 82 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2k0y h LEU 82 CO 0.07 0.07 -0.25 0.00 0.09 0.00 0.00 178.44 178.42 2k0y h ALA 83 N 1.93 1.30 0.00 1.53 0.00 0.04 -2.52 119.26 121.54 2k0y h ALA 83 Ca -0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2k0y h ALA 83 Cb 0.80 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2k0y h ALA 83 CO 0.01 0.31 -0.77 0.93 0.00 0.00 0.00 179.25 179.73 2k0y h GLU 84 N 0.00 0.00 -6.72 0.00 4.39 -1.32 -3.46 114.58 107.47 2k0y h GLU 84 Ca -0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.23 2k0y h GLU 84 Cb 0.54 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.22 2k0y h GLU 84 CO 0.03 0.17 -0.07 0.00 -1.16 0.00 0.00 179.01 177.98 2k0y s ALA 85 N -3.14 3.64 0.00 3.43 0.00 -0.95 -5.13 121.76 119.60 2k0y s ALA 85 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2k0y s ALA 85 Cb 0.08 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.95 2k0y s ALA 85 CO 0.76 -0.29 0.00 0.00 0.00 0.00 0.00 175.76 176.23