#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 2.20 -3.98 3.04 0.00 -1.26 -5.03 120.51 115.49 2k0y n ALA 2 Ca 0.00 -1.54 -0.31 0.00 0.00 0.00 0.00 53.44 51.59 2k0y n ALA 2 Cb 0.00 -0.58 -0.15 0.00 0.00 0.00 0.00 19.45 18.72 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 0.00 1.95 0.00 0.00 -1.32 -1.26 -4.98 115.64 110.03 2k0y s THR 3 Ca 0.15 -1.89 0.00 0.00 -1.21 0.00 0.00 61.69 58.73 2k0y s THR 3 Cb 0.17 -2.32 0.00 0.00 -1.51 0.00 0.00 72.50 68.84 2k0y s THR 3 CO -0.07 -0.41 0.00 -0.11 -2.21 0.00 0.00 174.62 171.81 2k0y n LEU 4 N 4.44 0.00 -4.09 9.08 7.94 -1.26 -5.09 117.00 128.02 2k0y n LEU 4 Ca -0.03 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.56 2k0y n LEU 4 Cb 0.42 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.21 2k0y n LEU 4 CO 0.20 0.00 -0.51 -0.76 -1.11 0.00 0.00 177.39 175.21 2k0y s LEU 5 N 0.00 1.88 0.00 -1.96 1.43 -1.26 -5.01 118.68 113.76 2k0y s LEU 5 Ca 0.00 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 2k0y s LEU 5 Cb 0.00 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.96 2k0y s LEU 5 CO 0.00 0.01 0.04 0.35 0.23 0.00 0.00 176.35 176.98 2k0y n THR 6 N 4.38 0.00 0.09 5.49 -2.24 -1.26 -4.86 114.28 115.88 2k0y n THR 6 Ca -0.19 -0.10 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 2k0y n THR 6 Cb 0.51 -0.90 -0.05 0.00 -2.10 0.00 0.00 70.33 67.79 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 0.08 0.40 0.00 4.28 2.02 -1.99 0.48 112.91 118.18 2k0y h THR 7 Ca -0.01 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.05 2k0y h THR 7 Cb 0.06 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 2k0y h THR 7 CO 0.02 0.00 -0.55 -0.78 0.37 0.00 0.00 175.52 174.58 2k0y h ASP 8 N -0.46 0.00 -0.44 4.18 3.58 -1.96 -0.57 116.42 120.75 2k0y h ASP 8 Ca 0.04 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.39 2k0y h ASP 8 Cb 0.51 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 2k0y h ASP 8 CO -0.19 0.55 -0.11 0.44 -2.88 0.00 0.00 179.24 177.05 2k0y h ASP 9 N 0.00 0.90 -0.26 2.28 3.32 -1.85 -0.02 116.42 120.79 2k0y h ASP 9 Ca -0.01 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 2k0y h ASP 9 Cb 1.08 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 2k0y h ASP 9 CO 0.07 1.03 -0.01 0.25 -1.72 0.00 0.00 179.24 178.86 2k0y h LEU 10 N 0.81 0.47 -0.39 1.55 5.85 -0.55 -1.10 115.31 121.95 2k0y h LEU 10 Ca 0.13 -0.32 0.08 0.00 0.84 0.00 0.00 57.88 58.61 2k0y h LEU 10 Cb 0.64 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.46 2k0y h LEU 10 CO 0.04 0.68 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.55 2k0y h ARG 11 N 0.24 -0.10 -0.81 1.25 1.12 -0.84 -0.63 114.38 114.62 2k0y h ARG 11 Ca 0.07 0.01 0.05 0.00 -1.11 0.00 0.00 59.98 59.00 2k0y h ARG 11 Cb 0.44 0.02 -0.06 0.00 -0.01 0.00 0.00 29.97 30.37 2k0y h ARG 11 CO 0.02 -0.07 0.50 -0.09 -3.11 0.00 0.00 179.97 177.22 2k0y h ARG 12 N -0.10 0.91 -0.59 0.20 2.43 -0.78 -0.51 114.38 115.94 2k0y h ARG 12 Ca 0.19 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2k0y h ARG 12 Cb 0.40 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2k0y h ARG 12 CO -0.46 0.60 0.25 0.00 -1.51 0.00 0.00 179.97 178.85 2k0y h ALA 13 N 1.37 0.76 -0.64 2.80 0.00 -0.19 -1.11 119.26 122.24 2k0y h ALA 13 Ca 0.34 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2k0y h ALA 13 Cb 0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2k0y h ALA 13 CO -0.15 0.36 0.22 -0.07 0.00 0.00 0.00 179.25 179.61 2k0y h LEU 14 N 0.81 0.92 0.32 0.00 4.07 -0.42 -1.58 115.31 119.42 2k0y h LEU 14 Ca 0.20 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2k0y h LEU 14 Cb 0.18 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 2k0y h LEU 14 CO -0.02 0.87 -0.32 0.58 -1.08 0.00 0.00 178.44 178.47 2k0y h VAL 15 N 0.92 0.33 -0.32 1.22 2.07 -0.67 -1.56 116.25 118.25 2k0y h VAL 15 Ca 0.21 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.79 2k0y h VAL 15 Cb 0.27 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 2k0y h VAL 15 CO -0.01 0.00 -0.00 -0.33 0.02 0.00 0.00 177.57 177.25 2k0y h GLU 16 N -0.67 0.09 0.00 1.57 4.39 -1.11 0.20 114.58 119.05 2k0y h GLU 16 Ca -0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2k0y h GLU 16 Cb 0.61 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2k0y h GLU 16 CO -0.07 0.06 0.00 0.43 -1.16 0.00 0.00 179.01 178.27 2k0y n SER 17 N -5.17 0.00 -0.75 1.42 7.64 -0.61 -2.21 113.62 113.94 2k0y n SER 17 Ca 0.01 0.41 0.12 0.00 1.01 0.00 0.00 58.87 60.41 2k0y n SER 17 Cb 0.17 -0.47 0.12 0.00 -1.01 0.00 0.00 64.21 63.02 2k0y n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k0y n ALA 18 N -1.47 2.82 -0.62 -0.43 0.00 -0.60 -4.82 120.51 115.40 2k0y n ALA 18 Ca 0.07 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2k0y n ALA 18 Cb 0.28 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2k0y n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k0y n GLY 19 N 1.35 0.63 3.09 0.00 0.00 -0.94 -4.43 105.19 104.90 2k0y n GLY 19 Ca 0.13 -0.52 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 2k0y n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k0y n GLU 20 N -2.62 -1.53 0.00 1.61 1.02 0.64 -5.02 120.64 114.74 2k0y n GLU 20 Ca 0.00 1.34 0.00 0.00 -0.02 0.00 0.00 57.16 58.48 2k0y n GLU 20 Cb 0.00 -5.75 0.00 0.00 -0.02 0.00 0.00 31.44 25.67 2k0y n GLU 20 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2k0y n THR 21 N -2.12 0.00 -0.04 2.62 -1.04 -1.26 -5.02 114.28 107.43 2k0y n THR 21 Ca -0.02 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.84 2k0y n THR 21 Cb 0.53 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.90 2k0y n THR 21 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2k0y n ASP 22 N 0.00 1.42 0.00 8.00 5.75 -1.26 -5.00 116.55 125.46 2k0y n ASP 22 Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 54.79 54.98 2k0y n ASP 22 Cb 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 2k0y n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0y n GLY 23 N 1.86 0.75 4.01 6.12 0.00 -1.26 -4.36 105.19 112.31 2k0y n GLY 23 Ca -0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.18 -2.84 -2.81 2.61 5.66 -1.26 -2.96 114.28 110.50 2k0y n THR 24 Ca 0.00 -0.54 -0.08 0.00 -3.05 0.00 0.00 64.05 60.39 2k0y n THR 24 Cb 0.00 -2.43 0.01 0.00 -1.55 0.00 0.00 70.33 66.36 2k0y n THR 24 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2k0y n ASP 25 N -2.92 -7.80 -0.02 1.09 2.03 -1.26 -5.00 116.55 102.67 2k0y n ASP 25 Ca -0.29 0.54 0.03 0.00 0.52 0.00 0.00 54.79 55.58 2k0y n ASP 25 Cb 0.68 -5.28 -0.10 0.00 -0.72 0.00 0.00 41.12 35.69 2k0y n ASP 25 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2k0y n LEU 26 N -0.29 0.00 -4.69 -2.67 7.94 -1.16 -4.96 117.00 111.18 2k0y n LEU 26 Ca 0.11 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.58 2k0y n LEU 26 Cb 0.44 0.10 -0.03 0.00 0.53 0.00 0.00 43.42 44.45 2k0y n LEU 26 CO 0.47 0.10 1.46 -1.20 -1.11 0.00 0.00 177.39 177.10 2k0y n SER 27 N -2.12 3.93 0.00 1.96 7.64 -1.26 -4.45 113.62 119.32 2k0y n SER 27 Ca -0.08 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.79 2k0y n SER 27 Cb 0.53 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 2k0y n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k0y n GLY 28 N 4.19 0.93 3.50 0.23 0.00 -1.26 -4.78 105.19 108.01 2k0y n GLY 28 Ca 0.18 -1.47 -0.43 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 6.25 -0.05 1.61 2.15 -1.26 -4.34 116.67 117.03 2k0y s ASP 29 Ca 0.00 -0.59 0.09 0.00 0.43 0.00 0.00 52.55 52.48 2k0y s ASP 29 Cb 0.00 -2.46 0.22 0.00 -0.30 0.00 0.00 42.92 40.39 2k0y s ASP 29 CO 0.00 -1.44 1.17 2.22 -0.17 0.00 0.00 175.17 176.95 2k0y n PHE 30 N 7.97 0.29 0.25 -5.34 -1.74 -1.26 -4.80 117.46 112.83 2k0y n PHE 30 Ca 0.00 -0.65 0.16 0.00 -0.56 0.00 0.00 57.45 56.40 2k0y n PHE 30 Cb 0.47 -0.10 0.72 0.00 1.52 0.00 0.00 39.48 42.09 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 0.89 0.00 0.00 5.98 3.38 -1.95 0.93 115.31 124.54 2k0y h LEU 31 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2k0y h LEU 31 Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2k0y h LEU 31 CO 0.03 0.00 -1.18 -0.67 0.09 0.00 0.00 178.44 176.71 2k0y n ASP 32 N -3.08 0.80 -4.65 -0.43 2.03 -1.26 -3.43 116.55 106.52 2k0y n ASP 32 Ca 0.01 0.32 -0.43 0.00 0.52 0.00 0.00 54.79 55.21 2k0y n ASP 32 Cb 0.53 0.46 -0.02 0.00 -0.72 0.00 0.00 41.12 41.38 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 -5.42 4.03 0.40 -2.67 1.02 0.32 -4.91 118.68 111.44 2k0y s LEU 33 Ca -0.02 1.33 -0.25 0.00 0.02 0.00 0.00 54.13 55.22 2k0y s LEU 33 Cb 0.10 -3.54 -0.08 0.00 0.02 0.00 0.00 46.19 42.68 2k0y s LEU 33 CO 0.80 -0.84 1.13 -0.13 0.02 0.00 0.00 176.35 177.33 2k0y s ARG 34 N 3.62 4.06 0.18 1.70 0.52 -1.26 -4.24 118.95 123.52 2k0y s ARG 34 Ca 0.50 1.73 -0.13 0.00 -0.52 0.00 0.00 55.73 57.31 2k0y s ARG 34 Cb -0.16 -2.61 0.14 0.00 0.52 0.00 0.00 34.95 32.83 2k0y s ARG 34 CO 0.15 -0.28 1.79 0.74 0.02 0.00 0.00 175.30 177.71 2k0y h PHE 35 N 2.55 0.48 -0.11 -0.53 0.04 -1.67 -0.06 116.94 117.64 2k0y h PHE 35 Ca -0.49 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.30 2k0y h PHE 35 Cb 1.23 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.23 2k0y h PHE 35 CO 0.56 0.24 0.03 1.05 -0.60 0.00 0.00 178.31 179.59 2k0y h GLU 36 N 0.51 0.15 0.00 1.51 4.11 -1.82 0.22 114.58 119.26 2k0y h GLU 36 Ca 0.23 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.64 2k0y h GLU 36 Cb 0.13 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2k0y h GLU 36 CO -0.16 0.14 -0.14 0.22 0.07 0.00 0.00 179.01 179.15 2k0y h ASP 37 N 0.16 0.00 -0.61 3.06 3.58 -1.40 -2.44 116.42 118.76 2k0y h ASP 37 Ca 0.04 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2k0y h ASP 37 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2k0y h ASP 37 CO -0.00 0.01 0.00 2.30 -2.88 0.00 0.00 179.24 178.67 2k0y n ILE 38 N -2.70 1.76 -1.07 2.25 -5.35 -0.24 -4.93 119.36 109.08 2k0y n ILE 38 Ca 0.04 -1.22 -0.02 0.00 -0.27 0.00 0.00 62.75 61.28 2k0y n ILE 38 Cb 0.49 0.15 -0.01 0.00 -1.74 0.00 0.00 39.64 38.53 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 0.57 3.70 3.28 0.00 -0.87 -4.78 105.19 108.12 2k0y n GLY 39 Ca 0.25 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.07 3.39 0.29 1.61 1.51 0.67 -4.99 117.35 117.76 2k0y s TYR 40 Ca 0.00 0.37 -0.11 0.00 -1.01 0.00 0.00 57.07 56.32 2k0y s TYR 40 Cb 0.00 -2.26 -0.07 0.00 -0.11 0.00 0.00 41.96 39.52 2k0y s TYR 40 CO 0.00 0.19 0.64 -0.51 -1.11 0.00 0.00 175.55 174.76 2k0y s ASP 41 N 0.64 6.64 0.55 2.29 1.01 -1.26 -3.43 116.67 123.12 2k0y s ASP 41 Ca 0.10 1.05 0.27 0.00 0.71 0.00 0.00 52.55 54.68 2k0y s ASP 41 Cb -0.12 -2.28 1.46 0.00 1.01 0.00 0.00 42.92 42.99 2k0y s ASP 41 CO 0.02 -0.17 1.97 0.77 0.21 0.00 0.00 175.17 177.97 2k0y h SER 42 N 2.20 0.00 0.76 0.27 4.64 -1.94 -1.79 113.55 117.69 2k0y h SER 42 Ca -0.47 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.81 2k0y h SER 42 Cb 1.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2k0y h SER 42 CO 0.67 0.00 -0.37 0.25 -0.87 0.00 0.00 176.83 176.51 2k0y h LEU 43 N 0.00 -0.87 -1.52 5.97 7.12 -1.95 0.58 115.31 124.65 2k0y h LEU 43 Ca 0.24 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.26 2k0y h LEU 43 Cb 1.06 0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 41.39 2k0y h LEU 43 CO -0.00 -0.54 0.24 0.00 -0.13 0.00 0.00 178.44 178.00 2k0y h ALA 44 N -1.01 1.64 -0.41 1.25 0.00 -1.86 -2.02 119.26 116.84 2k0y h ALA 44 Ca -0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2k0y h ALA 44 Cb 0.80 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2k0y h ALA 44 CO 0.17 0.31 0.19 1.25 0.00 0.00 0.00 179.25 181.18 2k0y h LEU 45 N 0.58 0.54 -0.72 0.00 5.85 -1.08 -0.10 115.31 120.37 2k0y h LEU 45 Ca 0.15 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2k0y h LEU 45 Cb -0.00 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2k0y h LEU 45 CO -0.03 0.52 0.26 0.24 -0.34 0.00 0.00 178.44 179.09 2k0y h MET 46 N 0.52 1.10 0.00 1.25 2.86 -0.21 -1.26 114.93 119.19 2k0y h MET 46 Ca 0.14 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 2k0y h MET 46 Cb 0.13 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2k0y h MET 46 CO -0.02 0.93 -0.18 1.49 1.06 0.00 0.00 176.91 180.19 2k0y h GLU 47 N 1.05 0.00 0.35 1.72 4.81 -1.06 0.30 114.58 121.75 2k0y h GLU 47 Ca 0.24 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 2k0y h GLU 47 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2k0y h GLU 47 CO -0.01 0.18 -0.17 1.15 -0.73 0.00 0.00 179.01 179.43 2k0y h THR 48 N 0.00 0.64 -0.53 0.32 2.02 -0.27 -2.53 112.91 112.56 2k0y h THR 48 Ca -0.00 -0.50 0.07 0.00 0.77 0.00 0.00 66.41 66.74 2k0y h THR 48 Cb 0.34 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 2k0y h THR 48 CO 0.02 0.09 0.36 0.00 0.37 0.00 0.00 175.52 176.36 2k0y h ALA 49 N -0.24 1.91 -0.40 6.16 0.00 -0.79 -2.61 119.26 123.29 2k0y h ALA 49 Ca -0.05 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k0y h ALA 49 Cb 0.51 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2k0y h ALA 49 CO 0.08 -0.00 0.17 0.00 0.00 0.00 0.00 179.25 179.50 2k0y h ALA 50 N 1.72 0.48 -0.40 0.00 0.00 0.00 0.42 119.26 121.49 2k0y h ALA 50 Ca 0.23 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2k0y h ALA 50 Cb 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2k0y h ALA 50 CO -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 179.25 178.98 2k0y h ARG 51 N 0.36 0.64 -0.40 0.00 3.08 -1.13 -0.81 114.38 116.12 2k0y h ARG 51 Ca 0.18 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 2k0y h ARG 51 Cb 0.12 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2k0y h ARG 51 CO -0.15 0.66 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.31 2k0y h LEU 52 N 0.60 0.72 0.05 3.04 3.38 -1.09 0.78 115.31 122.78 2k0y h LEU 52 Ca 0.12 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.79 2k0y h LEU 52 Cb 0.39 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2k0y h LEU 52 CO 0.02 0.87 -0.23 -0.33 0.09 0.00 0.00 178.44 178.86 2k0y h GLU 53 N 0.54 -0.37 -0.63 1.13 5.08 0.32 -0.72 114.58 119.93 2k0y h GLU 53 Ca 0.11 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2k0y h GLU 53 Cb 0.53 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2k0y h GLU 53 CO 0.03 -0.25 0.29 0.77 -1.00 0.00 0.00 179.01 178.84 2k0y h SER 54 N -0.39 0.84 -0.50 1.42 0.02 -1.04 -0.34 113.55 113.55 2k0y h SER 54 Ca 0.05 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 2k0y h SER 54 Cb 0.45 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2k0y h SER 54 CO -0.17 0.75 0.09 -0.09 -1.14 0.00 0.00 176.83 176.26 2k0y h ARG 55 N 0.87 0.83 -0.02 3.45 2.43 -0.56 -3.20 114.38 118.16 2k0y h ARG 55 Ca 0.21 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k0y h ARG 55 Cb 0.14 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2k0y h ARG 55 CO -0.02 0.81 -0.02 0.66 -1.51 0.00 0.00 179.97 179.89 2k0y n TYR 56 N -4.42 0.00 -2.94 2.20 4.01 -0.30 -4.95 117.16 110.77 2k0y n TYR 56 Ca 0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.64 2k0y n TYR 56 Cb 0.25 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.33 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 1.29 -0.04 3.28 2.72 0.00 -0.30 -4.89 105.19 107.25 2k0y n GLY 57 Ca 0.16 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.22 0.07 -0.02 1.61 0.11 -0.29 -5.00 120.40 113.66 2k0y s VAL 58 Ca 0.06 -2.00 -0.03 0.00 -2.93 0.00 0.00 61.98 57.08 2k0y s VAL 58 Cb -0.03 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.33 2k0y s VAL 58 CO 0.45 0.00 0.07 -0.55 -3.33 0.00 0.00 175.10 171.74 2k0y s SER 59 N -3.32 -0.01 -0.14 3.54 0.15 -1.26 -4.28 113.70 108.37 2k0y s SER 59 Ca 0.39 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 57.03 2k0y s SER 59 Cb 0.04 0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.52 2k0y s SER 59 CO 0.21 -0.13 -0.19 -0.63 1.20 0.00 0.00 173.24 173.70 2k0y s ILE 60 N -0.46 1.86 0.35 6.45 1.01 -1.26 -5.08 121.20 124.08 2k0y s ILE 60 Ca -0.05 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.47 2k0y s ILE 60 Cb -0.03 -1.68 -0.11 0.00 0.01 0.00 0.00 42.46 40.65 2k0y s ILE 60 CO 0.00 0.51 1.49 -2.84 0.00 0.00 0.00 174.94 174.11 2k0y s PRO 61 N 1.04 4.13 0.32 2.79 0.02 -1.26 -4.84 135.00 137.21 2k0y s PRO 61 Ca -0.03 2.54 0.06 0.00 0.02 0.00 0.00 61.00 63.59 2k0y s PRO 61 Cb -0.14 -2.99 0.72 0.00 0.02 0.00 0.00 34.50 32.10 2k0y s PRO 61 CO -0.05 -0.53 1.84 -0.44 -0.33 0.00 0.00 177.00 177.49 2k0y h ASP 62 N 3.45 0.77 0.02 2.53 3.32 -1.99 -0.33 116.42 124.19 2k0y h ASP 62 Ca -0.50 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 56.51 2k0y h ASP 62 Cb 1.23 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2k0y h ASP 62 CO 0.68 0.37 -0.29 -0.78 -1.72 0.00 0.00 179.24 177.50 2k0y h ASP 63 N 0.81 0.41 0.01 6.45 3.58 -1.96 -0.14 116.42 125.57 2k0y h ASP 63 Ca 0.50 -0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.80 2k0y h ASP 63 Cb 0.70 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.64 2k0y h ASP 63 CO -0.26 0.68 -0.00 0.58 -2.88 0.00 0.00 179.24 177.36 2k0y h VAL 64 N 0.35 1.50 -0.15 2.25 2.07 -1.57 -2.11 116.25 118.59 2k0y h VAL 64 Ca 0.05 -1.52 0.04 0.00 0.82 0.00 0.00 66.70 66.09 2k0y h VAL 64 Cb 0.69 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 2k0y h VAL 64 CO 0.05 0.39 0.15 0.00 0.02 0.00 0.00 177.57 178.19 2k0y h ALA 65 N 0.32 1.82 -0.09 1.67 0.00 -0.90 -0.58 119.26 121.51 2k0y h ALA 65 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k0y h ALA 65 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2k0y h ALA 65 CO 0.00 -0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.43 2k0y n GLY 66 N -1.42 0.94 0.02 0.00 0.00 -0.08 -4.31 105.19 100.34 2k0y n GLY 66 Ca 0.01 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 1.25 0.41 -2.34 1.61 0.63 -0.24 -4.87 116.66 113.11 2k0y n ARG 67 Ca 0.14 -0.10 -0.43 0.00 -0.92 0.00 0.00 57.85 56.54 2k0y n ARG 67 Cb 0.55 -1.54 -0.02 0.00 0.45 0.00 0.00 32.46 31.90 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 -3.31 3.98 -0.10 5.15 -7.23 -1.14 -4.86 120.40 112.89 2k0y s VAL 68 Ca -0.01 1.08 -0.05 0.00 -1.81 0.00 0.00 61.98 61.18 2k0y s VAL 68 Cb 0.14 -4.09 -0.26 0.00 0.56 0.00 0.00 36.38 32.73 2k0y s VAL 68 CO 0.88 -0.53 0.43 -0.78 -0.31 0.00 0.00 175.10 174.79 2k0y h ASP 69 N 10.02 0.40 -3.58 4.85 3.58 -1.94 -3.47 116.42 126.28 2k0y h ASP 69 Ca -0.28 -0.87 -0.67 0.00 0.42 0.00 0.00 57.03 55.64 2k0y h ASP 69 Cb 1.11 -0.13 -0.18 0.00 1.72 0.00 0.00 39.33 41.85 2k0y h ASP 69 CO 1.04 1.77 -0.78 0.42 -2.88 0.00 0.00 179.24 178.81 2k0y s THR 70 N -2.57 2.95 0.28 2.25 -4.23 -1.26 -1.79 115.64 111.28 2k0y s THR 70 Ca -0.20 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 58.81 2k0y s THR 70 Cb 0.07 -2.38 0.28 0.00 1.34 0.00 0.00 72.50 71.80 2k0y s THR 70 CO 0.79 0.06 1.82 -0.65 -0.54 0.00 0.00 174.62 176.10 2k0y h PRO 71 N 3.58 0.89 -0.85 3.99 0.11 -1.73 -1.83 132.00 136.15 2k0y h PRO 71 Ca -0.49 -0.05 0.14 0.00 0.11 0.00 0.00 66.00 65.70 2k0y h PRO 71 Cb 1.17 -0.20 -0.06 0.00 0.11 0.00 0.00 31.00 32.02 2k0y h PRO 71 CO 0.48 0.59 0.55 0.07 -0.21 0.00 0.00 178.00 179.48 2k0y h ARG 72 N 0.91 0.62 0.31 1.05 -0.00 -1.91 0.27 114.38 115.64 2k0y h ARG 72 Ca 0.50 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.98 60.42 2k0y h ARG 72 Cb 0.55 -0.14 0.00 0.00 -0.00 0.00 0.00 29.97 30.38 2k0y h ARG 72 CO -0.29 0.41 -0.15 0.93 -0.00 0.00 0.00 179.97 180.87 2k0y h GLU 73 N 0.64 -0.41 -0.24 0.08 4.39 -1.67 0.02 114.58 117.39 2k0y h GLU 73 Ca 0.42 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.12 2k0y h GLU 73 Cb 0.70 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 2k0y h GLU 73 CO -0.18 -0.19 0.03 1.25 -1.16 0.00 0.00 179.01 178.77 2k0y h LEU 74 N -0.55 0.39 0.17 1.33 7.12 -1.28 -0.82 115.31 121.66 2k0y h LEU 74 Ca -0.04 -0.27 0.00 0.00 0.13 0.00 0.00 57.88 57.70 2k0y h LEU 74 Cb 0.41 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 2k0y h LEU 74 CO 0.07 0.56 -0.16 0.25 -0.13 0.00 0.00 178.44 179.03 2k0y h LEU 75 N 0.20 -0.41 -0.75 2.25 5.85 -0.47 -1.50 115.31 120.48 2k0y h LEU 75 Ca 0.07 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 2k0y h LEU 75 Cb 0.34 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2k0y h LEU 75 CO 0.01 -0.24 0.11 -0.78 -0.34 0.00 0.00 178.44 177.20 2k0y h ASP 76 N -0.35 1.02 -0.65 1.25 3.58 -0.85 0.41 116.42 120.83 2k0y h ASP 76 Ca -0.00 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.19 2k0y h ASP 76 Cb 0.33 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 2k0y h ASP 76 CO -0.03 1.01 0.32 -0.07 -2.88 0.00 0.00 179.24 177.58 2k0y h LEU 77 N 1.00 0.84 -0.16 2.28 -0.00 -1.04 -0.51 115.31 117.72 2k0y h LEU 77 Ca 0.20 -0.12 -0.14 0.00 -0.00 0.00 0.00 57.88 57.82 2k0y h LEU 77 Cb 0.42 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 2k0y h LEU 77 CO 0.01 0.73 -0.44 0.40 -0.00 0.00 0.00 178.44 179.13 2k0y h ILE 78 N 0.89 1.34 -0.55 1.22 2.04 -0.79 -2.79 117.51 118.87 2k0y h ILE 78 Ca 0.22 -1.71 0.10 0.00 1.00 0.00 0.00 64.86 64.47 2k0y h ILE 78 Cb 0.10 2.00 -0.08 0.00 -0.74 0.00 0.00 36.82 38.11 2k0y h ILE 78 CO -0.03 0.52 0.11 0.78 0.00 0.00 0.00 178.15 179.53 2k0y h ASN 79 N 0.22 -0.01 -0.60 1.72 -0.26 0.03 0.42 115.58 117.11 2k0y h ASN 79 Ca -0.01 0.10 0.02 0.00 -0.56 0.00 0.00 56.30 55.85 2k0y h ASN 79 Cb 1.06 0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 38.43 2k0y h ASN 79 CO 0.10 0.01 0.38 1.23 -1.06 0.00 0.00 177.43 178.09 2k0y h GLY 80 N 0.24 0.85 1.65 2.83 0.00 -1.11 -0.24 103.07 107.29 2k0y h GLY 80 Ca 0.28 -0.30 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 2k0y h GLY 80 CO -0.37 0.27 -0.37 0.00 0.00 0.00 0.00 176.54 176.07 2k0y h ALA 81 N 1.24 1.03 -0.49 3.60 0.00 -0.92 -1.86 119.26 121.87 2k0y h ALA 81 Ca 0.23 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2k0y h ALA 81 Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2k0y h ALA 81 CO -0.08 0.60 -0.18 -0.07 0.00 0.00 0.00 179.25 179.52 2k0y h LEU 82 N 0.33 0.98 -1.39 0.00 3.38 0.29 0.15 115.31 119.05 2k0y h LEU 82 Ca 0.03 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 2k0y h LEU 82 Cb 0.81 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2k0y h LEU 82 CO 0.06 1.13 -0.18 0.00 0.09 0.00 0.00 178.44 179.55 2k0y h ALA 83 N 0.94 1.49 0.00 1.53 0.00 -0.71 0.49 119.26 123.01 2k0y h ALA 83 Ca 0.12 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.56 2k0y h ALA 83 Cb 0.74 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.47 2k0y h ALA 83 CO 0.06 0.36 -0.99 0.93 0.00 0.00 0.00 179.25 179.61 2k0y h GLU 84 N 0.17 0.56 0.09 0.00 4.39 -0.86 -3.34 114.58 115.59 2k0y h GLU 84 Ca 0.03 -0.60 -0.00 0.00 0.34 0.00 0.00 59.36 59.13 2k0y h GLU 84 Cb 0.42 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2k0y h GLU 84 CO 0.03 1.22 -0.04 0.00 -1.16 0.00 0.00 179.01 179.05 2k0y h ALA 85 N 0.57 -0.12 -0.01 3.43 0.00 -0.25 -3.51 119.26 119.37 2k0y h ALA 85 Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2k0y h ALA 85 Cb 1.64 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2k0y h ALA 85 CO 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.09