#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 -0.76 -2.19 3.04 0.00 -1.26 -5.08 120.51 114.26 2k0y n ALA 2 Ca 0.00 -0.95 -0.42 0.00 0.00 0.00 0.00 53.44 52.08 2k0y n ALA 2 Cb 0.00 0.76 -0.03 0.00 0.00 0.00 0.00 19.45 20.18 2k0y n ALA 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2k0y s THR 3 N -2.53 3.63 0.26 0.00 -4.23 -1.26 -4.93 115.64 106.57 2k0y s THR 3 Ca 0.14 0.57 0.04 0.00 -1.18 0.00 0.00 61.69 61.26 2k0y s THR 3 Cb -0.02 -4.04 -0.05 0.00 1.34 0.00 0.00 72.50 69.72 2k0y s THR 3 CO 0.11 -0.80 0.02 -0.22 -0.54 0.00 0.00 174.62 173.18 2k0y s LEU 4 N 6.83 2.14 -0.19 4.79 2.96 -1.26 -5.10 118.68 128.85 2k0y s LEU 4 Ca 0.66 -1.27 -0.25 0.00 -0.22 0.00 0.00 54.13 53.04 2k0y s LEU 4 Cb -0.15 -0.28 -0.01 0.00 0.50 0.00 0.00 46.19 46.25 2k0y s LEU 4 CO 0.28 -0.55 0.85 -0.76 -1.32 0.00 0.00 176.35 174.86 2k0y s LEU 5 N -3.35 4.15 0.00 -0.68 1.43 -1.26 -4.91 118.68 114.05 2k0y s LEU 5 Ca 0.31 1.16 0.04 0.00 -1.03 0.00 0.00 54.13 54.61 2k0y s LEU 5 Cb 0.06 -3.25 0.04 0.00 0.03 0.00 0.00 46.19 43.07 2k0y s LEU 5 CO 0.11 -0.45 0.29 0.35 0.23 0.00 0.00 176.35 176.88 2k0y n THR 6 N 4.91 0.00 -0.25 5.49 -2.24 -1.26 -4.89 114.28 116.05 2k0y n THR 6 Ca 0.05 -0.80 -0.03 0.00 -2.27 0.00 0.00 64.05 61.00 2k0y n THR 6 Cb 0.48 -0.70 0.08 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.15 1.08 -0.28 4.28 2.02 -1.96 0.28 112.91 118.49 2k0y h THR 7 Ca -0.12 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 2k0y h THR 7 Cb 0.51 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2k0y h THR 7 CO 0.17 0.15 0.17 -0.78 0.37 0.00 0.00 175.52 175.60 2k0y h ASP 8 N 0.84 0.33 -0.52 4.18 1.82 -1.95 -0.24 116.42 120.89 2k0y h ASP 8 Ca 0.29 -0.05 -0.10 0.00 -0.39 0.00 0.00 57.03 56.78 2k0y h ASP 8 Cb 0.04 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 39.95 2k0y h ASP 8 CO -0.12 0.29 -0.04 0.44 -1.61 0.00 0.00 179.24 178.20 2k0y h ASP 9 N 0.35 0.96 -0.53 2.28 3.32 -1.84 -2.43 116.42 118.53 2k0y h ASP 9 Ca 0.10 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 2k0y h ASP 9 Cb 0.02 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 2k0y h ASP 9 CO -0.02 1.04 0.02 0.25 -1.72 0.00 0.00 179.24 178.80 2k0y h LEU 10 N 0.89 0.90 -0.01 1.55 5.85 -0.69 -0.31 115.31 123.49 2k0y h LEU 10 Ca 0.16 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.61 2k0y h LEU 10 Cb 0.57 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2k0y h LEU 10 CO 0.03 0.98 -0.29 -0.09 -0.34 0.00 0.00 178.44 178.73 2k0y h ARG 11 N 0.79 -0.42 -0.91 1.25 2.43 -0.88 -2.07 114.38 114.58 2k0y h ARG 11 Ca 0.15 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 2k0y h ARG 11 Cb 0.51 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.10 2k0y h ARG 11 CO 0.02 -0.28 0.60 -0.09 -1.51 0.00 0.00 179.97 178.71 2k0y h ARG 12 N -0.43 1.10 -0.62 0.20 2.43 -1.19 -2.35 114.38 113.52 2k0y h ARG 12 Ca 0.07 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2k0y h ARG 12 Cb 0.52 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 2k0y h ARG 12 CO -0.26 0.73 0.29 0.00 -1.51 0.00 0.00 179.97 179.23 2k0y h ALA 13 N 1.47 1.36 -0.42 2.80 0.00 -0.45 0.32 119.26 124.34 2k0y h ALA 13 Ca 0.36 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2k0y h ALA 13 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2k0y h ALA 13 CO -0.11 0.50 0.15 -0.07 0.00 0.00 0.00 179.25 179.72 2k0y h LEU 14 N 0.87 0.60 0.05 0.00 3.38 -0.84 -1.49 115.31 117.88 2k0y h LEU 14 Ca 0.22 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k0y h LEU 14 Cb 0.09 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2k0y h LEU 14 CO -0.03 0.63 -0.03 0.58 0.09 0.00 0.00 178.44 179.68 2k0y h VAL 15 N 0.54 1.04 -0.01 1.22 2.07 -1.24 -1.51 116.25 118.36 2k0y h VAL 15 Ca 0.14 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2k0y h VAL 15 Cb 0.23 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2k0y h VAL 15 CO -0.01 0.08 0.02 -0.33 0.02 0.00 0.00 177.57 177.35 2k0y h GLU 16 N -0.21 0.00 0.00 1.57 4.39 -0.82 0.13 114.58 119.64 2k0y h GLU 16 Ca -0.01 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.40 2k0y h GLU 16 Cb 0.19 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 2k0y h GLU 16 CO 0.01 0.00 -1.73 0.43 -1.16 0.00 0.00 179.01 176.56 2k0y n SER 17 N -3.81 0.84 0.08 1.42 7.64 -0.58 -3.83 113.62 115.40 2k0y n SER 17 Ca -0.03 0.40 -0.09 0.00 1.01 0.00 0.00 58.87 60.17 2k0y n SER 17 Cb 0.10 -0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.23 2k0y n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k0y h ALA 18 N 1.00 0.45 0.00 -0.43 0.00 -0.65 -3.47 119.26 116.16 2k0y h ALA 18 Ca -0.29 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 53.83 2k0y h ALA 18 Cb 2.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2k0y h ALA 18 CO 0.08 1.01 0.00 0.41 0.00 0.00 0.00 179.25 180.75 2k0y n GLY 19 N 1.06 2.61 3.47 0.00 0.00 0.40 -4.93 105.19 107.81 2k0y n GLY 19 Ca -0.03 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 2k0y n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0y s GLU 20 N 0.00 0.94 0.00 1.61 2.56 -1.24 -4.60 118.70 117.97 2k0y s GLU 20 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 54.97 55.26 2k0y s GLU 20 Cb 0.00 0.44 0.00 0.00 2.00 0.00 0.00 34.13 36.57 2k0y s GLU 20 CO 0.00 -0.26 0.00 -2.37 -0.56 0.00 0.00 175.26 172.07 2k0y n THR 21 N 1.29 0.00 -0.11 -1.70 5.66 -1.26 -5.07 114.28 113.08 2k0y n THR 21 Ca -0.19 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.61 2k0y n THR 21 Cb 0.57 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.26 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 -0.22 1.91 -0.53 1.09 2.03 -1.26 -5.03 116.55 114.55 2k0y n ASP 22 Ca 0.00 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.71 2k0y n ASP 22 Cb 0.00 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 2k0y n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k0y n GLY 23 N 1.38 0.75 3.53 0.27 0.00 -1.26 -4.92 105.19 104.95 2k0y n GLY 23 Ca -0.36 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 2k0y n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k0y n THR 24 N -1.37 -0.02 -1.96 2.61 5.66 -1.26 -1.16 114.28 116.78 2k0y n THR 24 Ca 0.00 -0.50 -0.17 0.00 -3.05 0.00 0.00 64.05 60.33 2k0y n THR 24 Cb 0.37 -1.42 -0.04 0.00 -1.55 0.00 0.00 70.33 67.69 2k0y n THR 24 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2k0y n ASP 25 N 13.62 -5.09 0.16 1.09 8.00 -1.26 -4.84 116.55 128.23 2k0y n ASP 25 Ca 0.53 0.18 0.04 0.00 0.71 0.00 0.00 54.79 56.25 2k0y n ASP 25 Cb 0.32 -4.15 0.16 0.00 -0.02 0.00 0.00 41.12 37.43 2k0y n ASP 25 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2k0y h LEU 26 N 0.00 0.00 -9.74 0.64 5.85 -1.52 -3.44 115.31 107.10 2k0y h LEU 26 Ca -0.39 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 57.81 2k0y h LEU 26 Cb 1.23 0.00 0.05 0.00 0.37 0.00 0.00 40.66 42.30 2k0y h LEU 26 CO 0.50 0.46 0.69 -0.44 -0.34 0.00 0.00 178.44 179.31 2k0y s SER 27 N -6.44 6.79 0.00 1.25 0.01 -1.26 -4.51 113.70 109.54 2k0y s SER 27 Ca 0.02 2.55 0.00 0.00 1.31 0.00 0.00 55.95 59.83 2k0y s SER 27 Cb 0.09 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2k0y s SER 27 CO 0.72 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2k0y n GLY 28 N 2.02 0.93 3.04 3.44 0.00 -1.26 -4.82 105.19 108.55 2k0y n GLY 28 Ca 0.05 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 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 4.61 -0.05 1.61 -1.08 -1.26 -4.75 116.67 111.74 2k0y s ASP 29 Ca 0.00 -1.78 0.14 0.00 -0.52 0.00 0.00 52.55 50.39 2k0y s ASP 29 Cb 0.00 -1.59 0.42 0.00 -1.46 0.00 0.00 42.92 40.30 2k0y s ASP 29 CO 0.00 -0.29 1.35 2.22 0.52 0.00 0.00 175.17 178.97 2k0y n PHE 30 N 4.34 0.71 -0.09 -5.34 -1.74 -1.26 -4.71 117.46 109.37 2k0y n PHE 30 Ca -0.05 -0.59 0.26 0.00 -0.56 0.00 0.00 57.45 56.51 2k0y n PHE 30 Cb 0.42 -0.11 0.72 0.00 1.52 0.00 0.00 39.48 42.03 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 2.36 0.00 -0.52 5.98 3.38 -1.94 0.14 115.31 124.72 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 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2k0y h LEU 31 CO 0.07 0.00 -0.57 -0.67 0.09 0.00 0.00 178.44 177.36 2k0y n ASP 32 N -4.08 1.37 -4.71 -0.43 2.03 -1.26 -2.46 116.55 107.01 2k0y n ASP 32 Ca 0.15 -1.10 -0.42 0.00 0.52 0.00 0.00 54.79 53.94 2k0y n ASP 32 Cb 0.86 0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 41.74 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 -2.68 4.36 0.21 -2.67 1.02 0.04 -4.93 118.68 114.03 2k0y s LEU 33 Ca 0.16 1.66 -0.30 0.00 0.02 0.00 0.00 54.13 55.68 2k0y s LEU 33 Cb 0.18 -3.57 -0.08 0.00 0.02 0.00 0.00 46.19 42.74 2k0y s LEU 33 CO 0.65 -0.28 1.05 -0.13 0.02 0.00 0.00 176.35 177.66 2k0y s ARG 34 N 1.08 4.68 0.11 1.70 3.00 -1.26 -4.16 118.95 124.10 2k0y s ARG 34 Ca 0.52 1.66 -0.21 0.00 0.00 0.00 0.00 55.73 57.69 2k0y s ARG 34 Cb -0.21 -3.27 -0.09 0.00 0.00 0.00 0.00 34.95 31.38 2k0y s ARG 34 CO 0.27 0.23 1.73 0.74 0.00 0.00 0.00 175.30 178.28 2k0y h PHE 35 N 4.59 -0.00 -0.20 -0.53 0.04 -1.73 -1.53 116.94 117.57 2k0y h PHE 35 Ca -0.45 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.39 2k0y h PHE 35 Cb 1.21 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.37 2k0y h PHE 35 CO 0.61 -0.01 0.18 0.93 -0.60 0.00 0.00 178.31 179.42 2k0y h GLU 36 N 0.04 0.00 0.05 1.51 4.39 -1.75 0.84 114.58 119.66 2k0y h GLU 36 Ca 0.05 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.49 2k0y h GLU 36 Cb 0.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2k0y h GLU 36 CO -0.08 0.00 -1.22 0.22 -1.16 0.00 0.00 179.01 176.77 2k0y h ASP 37 N 0.00 0.17 -0.49 1.42 3.58 -1.57 -3.25 116.42 116.28 2k0y h ASP 37 Ca 0.10 -0.21 -0.11 0.00 0.42 0.00 0.00 57.03 57.23 2k0y h ASP 37 Cb 0.45 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.38 2k0y h ASP 37 CO -0.00 1.17 0.14 2.30 -2.88 0.00 0.00 179.24 179.97 2k0y n ILE 38 N -3.38 2.11 -1.02 2.25 -5.35 -0.52 -4.85 119.36 108.58 2k0y n ILE 38 Ca -0.07 -1.08 -0.01 0.00 -0.27 0.00 0.00 62.75 61.33 2k0y n ILE 38 Cb 0.99 -0.44 -0.00 0.00 -1.74 0.00 0.00 39.64 38.45 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 0.09 0.48 3.59 3.28 0.00 -1.11 -5.00 105.19 106.52 2k0y n GLY 39 Ca 0.26 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.99 3.22 0.08 1.61 1.51 0.18 -5.00 117.35 116.95 2k0y s TYR 40 Ca 0.00 -0.02 -0.22 0.00 -1.01 0.00 0.00 57.07 55.83 2k0y s TYR 40 Cb 0.00 -2.18 -0.07 0.00 -0.11 0.00 0.00 41.96 39.61 2k0y s TYR 40 CO 0.00 -0.02 0.64 -0.51 -1.11 0.00 0.00 175.55 174.56 2k0y s ASP 41 N 0.92 7.14 0.46 2.29 1.11 -1.26 -2.36 116.67 124.98 2k0y s ASP 41 Ca 0.05 1.36 0.23 0.00 0.18 0.00 0.00 52.55 54.37 2k0y s ASP 41 Cb -0.14 -2.41 1.25 0.00 1.07 0.00 0.00 42.92 42.69 2k0y s ASP 41 CO 0.03 0.20 1.86 0.77 1.18 0.00 0.00 175.17 179.21 2k0y h SER 42 N 4.81 0.25 -0.09 0.27 4.64 -1.92 0.16 113.55 121.67 2k0y h SER 42 Ca -0.48 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 2k0y h SER 42 Cb 1.21 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2k0y h SER 42 CO 0.66 0.09 0.01 0.25 -0.87 0.00 0.00 176.83 176.97 2k0y h LEU 43 N 0.24 0.14 -1.32 5.97 6.46 -1.92 -1.37 115.31 123.52 2k0y h LEU 43 Ca 0.46 -0.29 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 2k0y h LEU 43 Cb 1.41 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.28 2k0y h LEU 43 CO -0.12 0.40 0.04 0.00 -0.62 0.00 0.00 178.44 178.13 2k0y h ALA 44 N 0.75 1.45 -0.28 1.25 0.00 -1.60 -1.35 119.26 119.48 2k0y h ALA 44 Ca 0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2k0y h ALA 44 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2k0y h ALA 44 CO 0.00 0.39 0.01 1.25 0.00 0.00 0.00 179.25 180.91 2k0y h LEU 45 N 0.48 0.39 -1.26 0.00 5.85 -0.47 -1.97 115.31 118.33 2k0y h LEU 45 Ca 0.11 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 2k0y h LEU 45 Cb 0.26 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2k0y h LEU 45 CO 0.00 0.44 -0.05 0.24 -0.34 0.00 0.00 178.44 178.74 2k0y h MET 46 N 0.41 0.44 -0.28 1.25 2.86 -0.09 0.10 114.93 119.63 2k0y h MET 46 Ca 0.09 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 2k0y h MET 46 Cb 0.25 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2k0y h MET 46 CO 0.00 0.51 -0.10 1.49 1.06 0.00 0.00 176.91 179.88 2k0y h GLU 47 N 0.42 0.46 0.53 1.72 4.57 -1.31 0.36 114.58 121.33 2k0y h GLU 47 Ca 0.09 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 2k0y h GLU 47 Cb 0.36 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2k0y h GLU 47 CO 0.02 0.57 -0.25 1.15 -1.18 0.00 0.00 179.01 179.31 2k0y h THR 48 N 0.43 0.31 -0.79 0.32 2.02 -0.86 -1.64 112.91 112.69 2k0y h THR 48 Ca 0.08 -0.41 0.11 0.00 0.77 0.00 0.00 66.41 66.96 2k0y h THR 48 Cb 0.44 0.43 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 2k0y h THR 48 CO 0.02 0.05 0.52 0.00 0.37 0.00 0.00 175.52 176.48 2k0y h ALA 49 N -0.77 1.84 -0.61 6.16 0.00 -0.75 -1.18 119.26 123.96 2k0y h ALA 49 Ca -0.07 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2k0y h ALA 49 Cb 0.62 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2k0y h ALA 49 CO 0.12 -0.03 0.36 0.00 0.00 0.00 0.00 179.25 179.70 2k0y h ALA 50 N 1.61 0.79 -0.26 0.00 0.00 0.06 0.20 119.26 121.66 2k0y h ALA 50 Ca 0.38 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 2k0y h ALA 50 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k0y h ALA 50 CO -0.15 0.08 -0.18 0.00 0.00 0.00 0.00 179.25 179.00 2k0y h ARG 51 N 0.70 0.46 -0.33 0.00 3.08 -0.26 0.43 114.38 118.46 2k0y h ARG 51 Ca 0.25 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 2k0y h ARG 51 Cb 0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2k0y h ARG 51 CO -0.12 0.63 0.03 -0.07 -1.07 0.00 0.00 179.97 179.36 2k0y h LEU 52 N 0.42 0.55 -0.63 3.04 3.38 -0.74 0.15 115.31 121.49 2k0y h LEU 52 Ca 0.07 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.79 2k0y h LEU 52 Cb 0.55 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2k0y h LEU 52 CO 0.04 0.70 0.37 -0.33 0.09 0.00 0.00 178.44 179.31 2k0y h GLU 53 N 0.38 0.70 0.92 1.13 5.08 -0.23 0.36 114.58 122.91 2k0y h GLU 53 Ca 0.10 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2k0y h GLU 53 Cb 0.40 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.50 2k0y h GLU 53 CO 0.01 0.46 -0.44 1.03 -1.00 0.00 0.00 179.01 179.07 2k0y h SER 54 N 0.72 -1.04 -0.50 1.42 0.87 -0.62 0.66 113.55 115.06 2k0y h SER 54 Ca 0.26 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.78 2k0y h SER 54 Cb 0.07 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2k0y h SER 54 CO -0.13 -0.71 0.01 -0.09 -0.53 0.00 0.00 176.83 175.38 2k0y h ARG 55 N -1.30 0.88 0.00 2.24 2.43 -0.63 -3.30 114.38 114.70 2k0y h ARG 55 Ca -0.13 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 2k0y h ARG 55 Cb 0.95 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2k0y h ARG 55 CO 0.21 0.91 -1.36 0.66 -1.51 0.00 0.00 179.97 178.87 2k0y n TYR 56 N -4.33 0.37 -1.73 2.20 4.02 0.11 -5.00 117.16 112.80 2k0y n TYR 56 Ca 0.01 0.11 -0.01 0.00 -0.01 0.00 0.00 57.90 58.00 2k0y n TYR 56 Cb 0.31 -0.59 0.00 0.00 -0.02 0.00 0.00 39.34 39.04 2k0y n TYR 56 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2k0y n GLY 57 N 1.28 0.01 3.27 2.72 0.00 0.19 -5.04 105.19 107.63 2k0y n GLY 57 Ca -0.01 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.02 0.00 -0.23 1.61 0.11 -1.01 -4.99 120.40 112.88 2k0y s VAL 58 Ca 0.03 -1.97 -0.04 0.00 -2.93 0.00 0.00 61.98 57.07 2k0y s VAL 58 Cb -0.00 -2.50 0.08 0.00 -1.53 0.00 0.00 36.38 32.43 2k0y s VAL 58 CO 0.10 0.00 0.13 -0.94 -3.33 0.00 0.00 175.10 171.07 2k0y s SER 59 N -3.29 2.67 -0.25 3.54 1.04 -1.26 -4.63 113.70 111.52 2k0y s SER 59 Ca 0.39 -0.85 -0.14 0.00 0.48 0.00 0.00 55.95 55.84 2k0y s SER 59 Cb 0.04 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 2k0y s SER 59 CO 0.22 -0.39 0.31 -0.63 0.98 0.00 0.00 173.24 173.73 2k0y s ILE 60 N 2.16 5.24 0.18 -1.02 1.01 -1.26 -5.03 121.20 122.48 2k0y s ILE 60 Ca 0.06 0.46 -0.32 0.00 0.00 0.00 0.00 60.65 60.85 2k0y s ILE 60 Cb -0.16 -3.64 -0.12 0.00 0.01 0.00 0.00 42.46 38.56 2k0y s ILE 60 CO -0.22 0.24 1.76 -2.65 0.00 0.00 0.00 174.94 174.07 2k0y n PRO 61 N 4.84 2.80 -0.30 2.79 -0.02 -1.26 -4.86 135.00 138.99 2k0y n PRO 61 Ca -0.11 1.01 0.13 0.00 -2.02 0.00 0.00 63.50 62.52 2k0y n PRO 61 Cb 0.51 -2.88 0.37 0.00 -0.02 0.00 0.00 33.50 31.49 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 7.36 0.67 -0.48 2.55 5.19 -1.98 0.17 116.42 129.91 2k0y h ASP 62 Ca -0.44 0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 55.92 2k0y h ASP 62 Cb 1.21 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 2k0y h ASP 62 CO 0.96 0.30 -0.13 0.44 -3.12 0.00 0.00 179.24 177.69 2k0y h ASP 63 N 0.69 0.94 -0.04 6.45 5.19 -1.95 -1.65 116.42 126.05 2k0y h ASP 63 Ca 0.49 -0.37 -0.12 0.00 -0.62 0.00 0.00 57.03 56.42 2k0y h ASP 63 Cb 0.83 -0.26 0.01 0.00 0.18 0.00 0.00 39.33 40.09 2k0y h ASP 63 CO -0.25 1.09 -0.45 0.58 -3.12 0.00 0.00 179.24 177.10 2k0y h VAL 64 N 0.78 1.43 -0.84 -1.35 2.07 -1.61 -2.93 116.25 113.81 2k0y h VAL 64 Ca 0.12 -1.90 0.12 0.00 0.82 0.00 0.00 66.70 65.86 2k0y h VAL 64 Cb 0.69 2.45 -0.06 0.00 -1.52 0.00 0.00 31.29 32.85 2k0y h VAL 64 CO 0.05 0.55 0.55 0.00 0.02 0.00 0.00 177.57 178.74 2k0y h ALA 65 N 0.38 1.79 -0.56 1.67 0.00 -0.62 0.00 119.26 121.92 2k0y h ALA 65 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2k0y h ALA 65 Cb 1.13 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 2k0y h ALA 65 CO 0.09 0.01 0.12 0.41 0.00 0.00 0.00 179.25 179.88 2k0y n GLY 66 N -1.44 3.69 0.00 0.00 0.00 -0.63 -4.19 105.19 102.62 2k0y n GLY 66 Ca 0.15 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.12 0.21 -2.78 1.61 0.63 -0.09 -4.94 116.66 111.19 2k0y n ARG 67 Ca 0.33 -0.41 -0.42 0.00 -0.92 0.00 0.00 57.85 56.42 2k0y n ARG 67 Cb 1.21 -0.62 -0.03 0.00 0.45 0.00 0.00 32.46 33.46 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 -0.12 4.82 -0.09 5.15 -7.23 -0.76 -4.93 120.40 117.24 2k0y s VAL 68 Ca 0.00 1.85 -0.09 0.00 -1.81 0.00 0.00 61.98 61.94 2k0y s VAL 68 Cb 0.00 -4.23 -0.28 0.00 0.56 0.00 0.00 36.38 32.43 2k0y s VAL 68 CO 0.00 -0.00 0.48 0.44 -0.31 0.00 0.00 175.10 175.71 2k0y h ASP 69 N 7.23 0.50 -3.67 4.85 3.32 -1.95 -3.46 116.42 123.24 2k0y h ASP 69 Ca -0.29 -0.95 -0.68 0.00 0.02 0.00 0.00 57.03 55.13 2k0y h ASP 69 Cb 1.13 -0.16 -0.21 0.00 0.22 0.00 0.00 39.33 40.31 2k0y h ASP 69 CO 0.86 1.83 -0.85 0.42 -1.72 0.00 0.00 179.24 179.79 2k0y s THR 70 N -2.56 2.36 0.47 0.35 -4.23 -1.26 -2.19 115.64 108.58 2k0y s THR 70 Ca -0.20 -1.82 0.19 0.00 -1.18 0.00 0.00 61.69 58.68 2k0y s THR 70 Cb 0.06 -2.08 0.36 0.00 1.34 0.00 0.00 72.50 72.18 2k0y s THR 70 CO 0.80 0.03 1.98 -0.65 -0.54 0.00 0.00 174.62 176.24 2k0y h PRO 71 N 3.65 0.23 -0.49 3.99 0.11 -1.70 -1.52 132.00 136.26 2k0y h PRO 71 Ca -0.49 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.69 2k0y h PRO 71 Cb 1.18 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 2k0y h PRO 71 CO 0.42 0.15 0.03 -0.09 -0.21 0.00 0.00 178.00 178.30 2k0y h ARG 72 N 0.24 0.14 -0.09 1.05 2.43 -1.82 0.45 114.38 116.79 2k0y h ARG 72 Ca 0.28 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 2k0y h ARG 72 Cb 0.77 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2k0y h ARG 72 CO -0.06 0.09 0.03 0.93 -1.51 0.00 0.00 179.97 179.46 2k0y h GLU 73 N 0.15 0.13 -0.30 0.20 4.39 -1.58 -1.79 114.58 115.77 2k0y h GLU 73 Ca 0.25 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.87 2k0y h GLU 73 Cb 0.37 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2k0y h GLU 73 CO -0.39 0.28 -0.02 1.25 -1.16 0.00 0.00 179.01 178.97 2k0y h LEU 74 N -0.04 0.54 -0.36 1.33 7.12 -1.16 -2.13 115.31 120.60 2k0y h LEU 74 Ca 0.03 -0.32 0.03 0.00 0.13 0.00 0.00 57.88 57.75 2k0y h LEU 74 Cb 0.20 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 40.15 2k0y h LEU 74 CO -0.00 0.73 0.16 0.25 -0.13 0.00 0.00 178.44 179.45 2k0y h LEU 75 N 0.33 0.22 -0.34 2.25 5.85 -0.10 -1.96 115.31 121.57 2k0y h LEU 75 Ca 0.08 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.87 2k0y h LEU 75 Cb 0.46 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 2k0y h LEU 75 CO 0.02 0.17 0.12 -0.78 -0.34 0.00 0.00 178.44 177.63 2k0y h ASP 76 N 0.34 0.14 -0.13 1.25 3.58 -1.11 0.26 116.42 120.75 2k0y h ASP 76 Ca 0.16 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2k0y h ASP 76 Cb 0.09 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2k0y h ASP 76 CO -0.13 0.12 0.07 0.25 -2.88 0.00 0.00 179.24 176.67 2k0y h LEU 77 N 0.27 0.11 -0.47 2.28 7.12 -1.09 0.16 115.31 123.68 2k0y h LEU 77 Ca 0.15 0.00 -0.15 0.00 0.13 0.00 0.00 57.88 58.02 2k0y h LEU 77 Cb 0.12 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 2k0y h LEU 77 CO -0.15 0.09 -0.34 0.40 -0.13 0.00 0.00 178.44 178.31 2k0y h ILE 78 N 0.15 1.27 -0.63 4.05 2.04 -1.04 -1.82 117.51 121.54 2k0y h ILE 78 Ca 0.05 -1.51 -0.00 0.00 1.00 0.00 0.00 64.86 64.40 2k0y h ILE 78 Cb -0.00 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 2k0y h ILE 78 CO -0.03 0.50 0.39 0.78 0.00 0.00 0.00 178.15 179.80 2k0y h ASN 79 N 0.74 0.75 -0.57 1.72 -0.26 -0.12 0.26 115.58 118.10 2k0y h ASN 79 Ca 0.07 -0.05 -0.04 0.00 -0.56 0.00 0.00 56.30 55.72 2k0y h ASN 79 Cb 0.91 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.96 2k0y h ASN 79 CO 0.08 0.58 0.19 1.23 -1.06 0.00 0.00 177.43 178.46 2k0y h GLY 80 N 0.86 0.94 0.95 2.83 0.00 -0.49 -0.34 103.07 107.82 2k0y h GLY 80 Ca 0.23 -0.54 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 2k0y h GLY 80 CO -0.04 0.51 -0.28 0.00 0.00 0.00 0.00 176.54 176.72 2k0y h ALA 81 N 1.05 0.40 0.00 3.60 0.00 -1.05 -2.97 119.26 120.29 2k0y h ALA 81 Ca 0.19 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2k0y h ALA 81 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k0y h ALA 81 CO -0.01 0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.93 2k0y n LEU 82 N -4.29 0.66 0.27 0.00 4.77 0.88 -1.50 117.00 117.81 2k0y n LEU 82 Ca -0.04 0.66 0.14 0.00 -0.03 0.00 0.00 56.01 56.74 2k0y n LEU 82 Cb 0.47 -0.57 0.78 0.00 -2.33 0.00 0.00 43.42 41.77 2k0y n LEU 82 CO 0.44 -0.55 1.01 0.00 -1.33 0.00 0.00 177.39 176.96 2k0y h ALA 83 N 2.27 1.24 -0.19 -1.18 0.00 -0.89 -1.62 119.26 118.89 2k0y h ALA 83 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k0y h ALA 83 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k0y h ALA 83 CO 0.00 0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.75 2k0y n GLU 84 N -3.54 1.83 -3.63 0.00 -0.58 -0.56 -4.85 120.64 109.31 2k0y n GLU 84 Ca -0.02 -1.26 -0.36 0.00 -0.42 0.00 0.00 57.16 55.11 2k0y n GLU 84 Cb 0.22 -1.41 -0.06 0.00 -0.57 0.00 0.00 31.44 29.63 2k0y n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k0y s ALA 85 N -1.75 3.76 0.00 0.62 0.00 -0.61 -5.15 121.76 118.62 2k0y s ALA 85 Ca 0.33 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.88 2k0y s ALA 85 Cb 0.18 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 21.08 2k0y s ALA 85 CO 0.27 0.57 0.02 0.00 0.00 0.00 0.00 175.76 176.62