#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kga s ALA 2 N 0.00 3.72 -0.52 3.04 0.00 -1.26 -4.98 121.76 121.75 2kga s ALA 2 Ca 0.00 -1.53 -0.28 0.00 0.00 0.00 0.00 51.96 50.15 2kga s ALA 2 Cb 0.00 -2.08 -0.00 0.00 0.00 0.00 0.00 23.12 21.04 2kga s ALA 2 CO 0.00 -1.22 1.62 0.99 0.00 0.00 0.00 175.76 177.15 2kga s THR 3 N -3.03 3.60 0.38 0.00 2.01 -1.26 -4.96 115.64 112.39 2kga s THR 3 Ca 0.63 0.51 0.07 0.00 0.31 0.00 0.00 61.69 63.21 2kga s THR 3 Cb -0.07 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.32 2kga s THR 3 CO 0.42 -0.92 0.53 -0.76 -0.69 0.00 0.00 174.62 173.20 2kga s LEU 4 N 7.07 3.79 -0.22 4.42 1.43 -1.26 -5.08 118.68 128.83 2kga s LEU 4 Ca 0.63 -0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.25 2kga s LEU 4 Cb -0.14 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 2kga s LEU 4 CO 0.26 -0.62 0.44 -0.22 0.23 0.00 0.00 176.35 176.43 2kga s LEU 5 N -4.28 4.12 0.58 1.79 0.20 -1.26 -5.06 118.68 114.78 2kga s LEU 5 Ca 0.51 0.52 0.09 0.00 0.69 0.00 0.00 54.13 55.94 2kga s LEU 5 Cb -0.10 -2.56 0.09 0.00 -0.43 0.00 0.00 46.19 43.19 2kga s LEU 5 CO 0.32 -0.14 0.77 0.42 -0.29 0.00 0.00 176.35 177.43 2kga s THR 6 N 1.62 2.03 0.11 3.68 -4.23 -1.26 -4.88 115.64 112.70 2kga s THR 6 Ca 0.20 -1.05 -0.28 0.00 -1.18 0.00 0.00 61.69 59.37 2kga s THR 6 Cb -0.15 -2.08 -0.09 0.00 1.34 0.00 0.00 72.50 71.52 2kga s THR 6 CO 0.09 0.00 1.63 0.74 -0.54 0.00 0.00 174.62 176.53 2kga h THR 7 N 0.20 0.37 -0.23 3.99 2.02 -1.99 -1.25 112.91 116.03 2kga h THR 7 Ca -0.30 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 2kga h THR 7 Cb 1.29 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2kga h THR 7 CO 0.42 0.00 0.01 -0.78 0.37 0.00 0.00 175.52 175.55 2kga h ASP 8 N -0.53 0.30 -0.33 4.18 3.58 -1.96 0.15 116.42 121.81 2kga h ASP 8 Ca 0.02 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 2kga h ASP 8 Cb 0.55 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 2kga h ASP 8 CO -0.15 0.35 0.05 0.44 -2.88 0.00 0.00 179.24 177.05 2kga h ASP 9 N 0.33 0.53 -0.53 2.28 3.32 -1.84 -0.78 116.42 119.72 2kga h ASP 9 Ca 0.08 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 56.75 2kga h ASP 9 Cb 0.20 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2kga h ASP 9 CO 0.00 0.66 -0.10 0.25 -1.72 0.00 0.00 179.24 178.33 2kga h LEU 10 N 0.37 1.01 -0.22 1.55 5.85 -0.73 -1.13 115.31 122.01 2kga h LEU 10 Ca 0.10 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.53 2kga h LEU 10 Cb 0.36 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 2kga h LEU 10 CO 0.01 1.13 -0.30 -0.09 -0.34 0.00 0.00 178.44 178.84 2kga h ARG 11 N 0.88 -0.31 -0.11 1.25 2.43 -0.48 0.34 114.38 118.38 2kga h ARG 11 Ca 0.14 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 2kga h ARG 11 Cb 0.67 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 2kga h ARG 11 CO 0.05 -0.21 -0.02 0.00 -1.51 0.00 0.00 179.97 178.28 2kga h ARG 12 N -0.33 0.01 -0.57 0.20 3.08 -0.91 0.36 114.38 116.24 2kga h ARG 12 Ca 0.12 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 2kga h ARG 12 Cb 0.52 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 2kga h ARG 12 CO -0.40 0.01 0.24 0.00 -1.07 0.00 0.00 179.97 178.74 2kga h ALA 13 N 1.10 0.73 -0.11 0.04 0.00 -0.74 -1.88 119.26 118.41 2kga h ALA 13 Ca 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2kga h ALA 13 Cb 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2kga h ALA 13 CO -0.10 0.34 -0.02 -0.07 0.00 0.00 0.00 179.25 179.40 2kga h LEU 14 N 0.77 0.21 -1.66 0.00 3.38 -0.13 -2.11 115.31 115.77 2kga h LEU 14 Ca 0.19 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2kga h LEU 14 Cb 0.18 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2kga h LEU 14 CO -0.02 0.51 -0.18 1.62 0.09 0.00 0.00 178.44 180.46 2kga h VAL 15 N -0.09 0.68 0.00 1.22 3.04 -0.77 -0.61 116.25 119.73 2kga h VAL 15 Ca 0.03 -0.75 -0.16 0.00 -1.01 0.00 0.00 66.70 64.81 2kga h VAL 15 Cb 0.41 1.47 -0.03 0.00 -2.01 0.00 0.00 31.29 31.14 2kga h VAL 15 CO 0.01 0.17 -1.14 1.05 -1.01 0.00 0.00 177.57 176.65 2kga h GLU 16 N 0.00 0.00 0.00 4.17 4.11 -1.30 -2.73 114.58 118.83 2kga h GLU 16 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.33 2kga h GLU 16 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2kga h GLU 16 CO 0.02 0.41 -0.57 0.77 0.07 0.00 0.00 179.01 179.71 2kga h SER 17 N 0.00 0.00 -0.94 3.06 0.02 -0.78 -3.43 113.55 111.48 2kga h SER 17 Ca -0.11 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.93 2kga h SER 17 Cb 1.56 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.89 2kga h SER 17 CO 0.06 0.42 -0.26 0.00 -1.14 0.00 0.00 176.83 175.91 2kga s ALA 18 N -3.01 -2.40 -0.37 3.77 0.00 -0.29 -5.00 121.76 114.45 2kga s ALA 18 Ca 0.03 1.64 0.05 0.00 0.00 0.00 0.00 51.96 53.68 2kga s ALA 18 Cb 0.07 -2.28 0.30 0.00 0.00 0.00 0.00 23.12 21.21 2kga s ALA 18 CO 0.75 -1.46 1.27 0.41 0.00 0.00 0.00 175.76 176.73 2kga n GLY 19 N 5.43 -0.55 3.70 0.00 0.00 -1.03 -4.15 105.19 108.59 2kga n GLY 19 Ca 0.00 0.43 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 2kga n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kga s GLU 20 N 0.12 0.64 -1.21 1.61 -1.05 -1.26 -4.89 118.70 112.66 2kga s GLU 20 Ca 0.19 0.53 -0.08 0.00 -0.15 0.00 0.00 54.97 55.46 2kga s GLU 20 Cb 0.28 -1.76 -0.08 0.00 -0.44 0.00 0.00 34.13 32.13 2kga s GLU 20 CO -0.13 -2.59 2.97 0.25 0.95 0.00 0.00 175.26 176.72 2kga n THR 21 N -4.08 4.20 -3.87 1.83 -2.24 -1.26 -4.62 114.28 104.24 2kga n THR 21 Ca 0.06 -2.72 0.00 0.00 -2.27 0.00 0.00 64.05 59.11 2kga n THR 21 Cb 0.57 -2.35 0.00 0.00 -2.10 0.00 0.00 70.33 66.45 2kga n THR 21 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2kga n ASP 22 N 2.90 0.00 -2.58 3.42 2.03 -1.26 -5.03 116.55 116.03 2kga n ASP 22 Ca 0.68 -0.91 -0.24 0.00 0.52 0.00 0.00 54.79 54.84 2kga n ASP 22 Cb 0.38 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.67 2kga n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kga n GLY 23 N 0.00 3.53 2.48 0.27 0.00 -1.26 -4.27 105.19 105.94 2kga n GLY 23 Ca 0.00 -1.32 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 2kga n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kga n THR 24 N 2.98 -0.26 -2.71 2.61 5.66 -1.26 -5.04 114.28 116.26 2kga n THR 24 Ca 0.58 -2.79 -0.26 0.00 -3.05 0.00 0.00 64.05 58.53 2kga n THR 24 Cb 0.61 0.08 0.01 0.00 -1.55 0.00 0.00 70.33 69.48 2kga n THR 24 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2kga s ASP 25 N -1.56 6.01 0.00 1.09 -4.77 -1.26 -4.34 116.67 111.84 2kga s ASP 25 Ca 0.33 0.71 0.00 0.00 -3.30 0.00 0.00 52.55 50.29 2kga s ASP 25 Cb 0.24 -1.96 0.00 0.00 -1.09 0.00 0.00 42.92 40.11 2kga s ASP 25 CO -0.15 -0.70 0.79 -0.11 0.70 0.00 0.00 175.17 175.71 2kga n LEU 26 N -2.27 0.00 -4.55 2.11 7.94 -1.26 -5.01 117.00 113.96 2kga n LEU 26 Ca 0.01 -0.80 -0.41 0.00 -1.11 0.00 0.00 56.01 53.70 2kga n LEU 26 Cb 0.56 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.48 2kga n LEU 26 CO 0.52 0.33 1.41 -0.55 -1.11 0.00 0.00 177.39 177.98 2kga s SER 27 N -0.63 6.49 0.00 1.96 0.15 -1.26 -4.67 113.70 115.74 2kga s SER 27 Ca 0.00 -1.43 0.00 0.00 0.70 0.00 0.00 55.95 55.22 2kga s SER 27 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2kga s SER 27 CO 0.00 -1.50 0.00 0.61 1.20 0.00 0.00 173.24 173.55 2kga n GLY 28 N 6.66 -0.46 3.87 9.45 0.00 -1.26 -5.10 105.19 118.35 2kga n GLY 28 Ca 0.30 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 2kga n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kga s ASP 29 N -4.00 6.66 0.00 1.61 2.15 -1.26 -4.95 116.67 116.88 2kga s ASP 29 Ca 0.00 0.85 0.00 0.00 0.43 0.00 0.00 52.55 53.83 2kga s ASP 29 Cb 0.00 -2.20 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 2kga s ASP 29 CO 0.00 0.10 0.00 2.22 -0.17 0.00 0.00 175.17 177.32 2kga n PHE 30 N 0.60 0.00 -0.31 -5.34 -1.74 -1.26 -4.92 117.46 104.49 2kga n PHE 30 Ca -0.05 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 56.96 2kga n PHE 30 Cb 0.52 0.00 0.35 0.00 1.52 0.00 0.00 39.48 41.87 2kga n PHE 30 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 2kga h LEU 31 N 0.00 0.72 -3.10 5.98 3.38 -1.96 -1.36 115.31 118.98 2kga h LEU 31 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kga h LEU 31 Cb 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2kga h LEU 31 CO 0.00 0.32 0.00 -0.67 0.09 0.00 0.00 178.44 178.18 2kga n ASP 32 N -4.63 4.48 -4.83 -0.43 2.03 -1.26 -3.24 116.55 108.67 2kga n ASP 32 Ca 0.20 -2.42 -0.35 0.00 0.52 0.00 0.00 54.79 52.75 2kga n ASP 32 Cb 0.52 -0.54 -0.06 0.00 -0.72 0.00 0.00 41.12 40.32 2kga n ASP 32 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2kga s LEU 33 N -1.78 4.25 -0.03 -2.67 1.02 -0.51 -5.02 118.68 113.94 2kga s LEU 33 Ca 0.48 1.33 -0.30 0.00 0.02 0.00 0.00 54.13 55.66 2kga s LEU 33 Cb 0.31 -3.71 -0.04 0.00 0.02 0.00 0.00 46.19 42.77 2kga s LEU 33 CO 0.23 -0.04 1.25 -0.13 0.02 0.00 0.00 176.35 177.68 2kga s ARG 34 N -2.31 4.35 0.14 1.70 1.81 -1.26 -4.33 118.95 119.05 2kga s ARG 34 Ca 0.46 1.75 -0.24 0.00 -1.72 0.00 0.00 55.73 55.99 2kga s ARG 34 Cb -0.14 -3.53 0.01 0.00 -0.45 0.00 0.00 34.95 30.84 2kga s ARG 34 CO 0.20 -0.45 1.63 0.74 -0.68 0.00 0.00 175.30 176.73 2kga h PHE 35 N 7.44 -0.71 -0.17 -0.53 0.04 -1.86 -1.76 116.94 119.39 2kga h PHE 35 Ca -0.36 0.04 0.05 0.00 2.80 0.00 0.00 57.97 60.50 2kga h PHE 35 Cb 1.17 0.34 -0.01 0.00 2.20 0.00 0.00 35.95 39.66 2kga h PHE 35 CO 0.73 -0.34 0.19 0.93 -0.60 0.00 0.00 178.31 179.22 2kga h GLU 36 N -0.30 0.00 0.03 1.51 5.08 -1.91 0.36 114.58 119.35 2kga h GLU 36 Ca 0.12 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.23 2kga h GLU 36 Cb 0.48 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2kga h GLU 36 CO -0.36 0.00 -1.30 0.22 -1.00 0.00 0.00 179.01 176.57 2kga h ASP 37 N 0.00 0.10 -0.63 1.42 3.58 -1.65 -3.17 116.42 116.06 2kga h ASP 37 Ca 0.08 -0.13 -0.15 0.00 0.42 0.00 0.00 57.03 57.26 2kga h ASP 37 Cb 0.47 -0.03 -0.09 0.00 1.72 0.00 0.00 39.33 41.40 2kga h ASP 37 CO -0.00 1.10 0.18 2.30 -2.88 0.00 0.00 179.24 179.95 2kga n ILE 38 N -3.30 2.61 -0.94 2.25 -5.35 -0.33 -4.88 119.36 109.43 2kga n ILE 38 Ca -0.08 -1.38 0.00 0.00 -0.27 0.00 0.00 62.75 61.02 2kga n ILE 38 Cb 0.99 -0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 2kga n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kga n GLY 39 N 0.08 0.80 3.55 3.28 0.00 -0.97 -4.91 105.19 107.02 2kga n GLY 39 Ca 0.34 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 2kga n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kga s TYR 40 N -3.14 2.23 0.72 1.61 1.51 0.11 -4.90 117.35 115.49 2kga s TYR 40 Ca 0.00 -0.09 -0.03 0.00 -1.01 0.00 0.00 57.07 55.94 2kga s TYR 40 Cb 0.00 -4.55 0.11 0.00 -0.11 0.00 0.00 41.96 37.41 2kga s TYR 40 CO 0.00 -2.06 1.00 0.34 -1.11 0.00 0.00 175.55 173.72 2kga s ASP 41 N 4.79 4.43 0.27 2.29 2.15 -1.26 -3.24 116.67 126.10 2kga s ASP 41 Ca 0.43 -0.11 -0.01 0.00 0.43 0.00 0.00 52.55 53.29 2kga s ASP 41 Cb -0.07 -0.36 0.48 0.00 -0.30 0.00 0.00 42.92 42.67 2kga s ASP 41 CO 0.09 -1.80 1.82 0.77 -0.17 0.00 0.00 175.17 175.88 2kga h SER 42 N -0.57 0.81 0.17 -0.34 4.64 -1.99 -0.18 113.55 116.10 2kga h SER 42 Ca -0.39 0.05 0.01 0.00 -0.47 0.00 0.00 61.79 60.98 2kga h SER 42 Cb 1.28 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 2kga h SER 42 CO 0.45 0.44 -0.23 0.25 -0.87 0.00 0.00 176.83 176.87 2kga h LEU 43 N 0.90 -0.64 -1.35 5.97 7.12 -1.98 -1.86 115.31 123.47 2kga h LEU 43 Ca 0.45 0.07 -0.05 0.00 0.13 0.00 0.00 57.88 58.48 2kga h LEU 43 Cb 0.43 0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.78 2kga h LEU 43 CO -0.26 -0.33 -0.12 0.00 -0.13 0.00 0.00 178.44 177.60 2kga h ALA 44 N 0.26 1.47 -0.18 1.25 0.00 -1.66 -1.71 119.26 118.68 2kga h ALA 44 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2kga h ALA 44 Cb 0.46 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2kga h ALA 44 CO -0.09 0.38 0.09 -0.07 0.00 0.00 0.00 179.25 179.55 2kga h LEU 45 N 0.27 0.23 -0.86 0.00 3.38 -0.68 -2.12 115.31 115.53 2kga h LEU 45 Ca 0.06 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 2kga h LEU 45 Cb 0.39 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2kga h LEU 45 CO 0.02 0.28 -0.52 0.00 0.09 0.00 0.00 178.44 178.31 2kga h MET 46 N 0.16 0.00 -0.05 1.13 -0.00 -0.74 0.11 114.93 115.55 2kga h MET 46 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.76 2kga h MET 46 Cb 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.71 2kga h MET 46 CO -0.01 0.52 0.02 0.93 -0.00 0.00 0.00 176.91 178.37 2kga h GLU 47 N 0.00 0.07 0.01 -0.10 4.39 -1.19 0.24 114.58 118.01 2kga h GLU 47 Ca -0.01 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2kga h GLU 47 Cb 1.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2kga h GLU 47 CO 0.07 0.17 -0.01 1.15 -1.16 0.00 0.00 179.01 179.24 2kga h THR 48 N -0.05 1.07 -0.29 1.13 2.02 -1.18 -2.50 112.91 113.11 2kga h THR 48 Ca 0.02 -0.23 0.05 0.00 0.77 0.00 0.00 66.41 67.02 2kga h THR 48 Cb 0.13 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 2kga h THR 48 CO -0.00 0.06 -0.02 0.00 0.37 0.00 0.00 175.52 175.92 2kga h ALA 49 N 0.87 0.24 -0.51 6.16 0.00 -0.69 -0.83 119.26 124.50 2kga h ALA 49 Ca -0.00 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2kga h ALA 49 Cb 0.11 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2kga h ALA 49 CO 0.00 -0.43 0.26 0.00 0.00 0.00 0.00 179.25 179.09 2kga h ALA 50 N 1.26 0.65 -0.73 0.00 0.00 -0.91 0.30 119.26 119.83 2kga h ALA 50 Ca 0.14 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2kga h ALA 50 Cb 0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2kga h ALA 50 CO -0.26 -0.07 0.47 -0.09 0.00 0.00 0.00 179.25 179.30 2kga h ARG 51 N 0.52 0.89 -0.31 0.00 2.43 -0.96 0.31 114.38 117.26 2kga h ARG 51 Ca 0.22 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.16 2kga h ARG 51 Cb 0.11 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2kga h ARG 51 CO -0.14 0.59 -0.50 -0.07 -1.51 0.00 0.00 179.97 178.34 2kga h LEU 52 N 0.92 0.96 -0.89 3.80 3.38 -0.34 -0.73 115.31 122.41 2kga h LEU 52 Ca 0.29 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2kga h LEU 52 Cb -0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 2kga h LEU 52 CO -0.10 1.29 0.51 -0.33 0.09 0.00 0.00 178.44 179.90 2kga h GLU 53 N 0.69 1.23 0.48 1.13 5.08 0.03 0.12 114.58 123.34 2kga h GLU 53 Ca 0.03 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2kga h GLU 53 Cb 1.10 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2kga h GLU 53 CO 0.11 0.88 -0.23 0.77 -1.00 0.00 0.00 179.01 179.55 2kga h SER 54 N 1.24 -0.54 -0.36 1.42 0.02 -0.81 -1.21 113.55 113.31 2kga h SER 54 Ca 0.32 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 2kga h SER 54 Cb -0.01 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2kga h SER 54 CO -0.06 -0.21 0.03 -0.09 -1.14 0.00 0.00 176.83 175.37 2kga h ARG 55 N -0.91 0.61 -0.01 3.45 2.43 -0.95 -2.96 114.38 116.04 2kga h ARG 55 Ca -0.07 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 2kga h ARG 55 Cb 0.59 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2kga h ARG 55 CO 0.11 0.70 -0.30 0.66 -1.51 0.00 0.00 179.97 179.62 2kga n TYR 56 N -4.54 0.00 -3.05 2.20 4.01 0.40 -4.96 117.16 111.22 2kga n TYR 56 Ca -0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.59 2kga n TYR 56 Cb 0.25 -0.11 0.06 0.00 -0.31 0.00 0.00 39.34 39.23 2kga n TYR 56 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kga n GLY 57 N 1.36 -0.93 3.49 2.72 0.00 -0.59 -5.01 105.19 106.23 2kga n GLY 57 Ca 0.11 0.49 -0.24 0.00 0.00 0.00 0.00 46.02 46.39 2kga n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kga s VAL 58 N -3.35 0.92 -0.18 1.61 -7.23 -0.56 -4.95 120.40 106.67 2kga s VAL 58 Ca 0.41 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.54 2kga s VAL 58 Cb -0.05 -2.57 0.06 0.00 0.56 0.00 0.00 36.38 34.37 2kga s VAL 58 CO 0.66 0.00 0.06 -0.44 -0.31 0.00 0.00 175.10 175.06 2kga s SER 59 N -3.55 2.60 -0.21 4.85 0.01 -1.26 -4.70 113.70 111.44 2kga s SER 59 Ca 0.30 -0.70 -0.19 0.00 1.31 0.00 0.00 55.95 56.67 2kga s SER 59 Cb 0.06 -0.42 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 2kga s SER 59 CO 0.14 -0.32 0.55 -0.63 0.41 0.00 0.00 173.24 173.39 2kga s ILE 60 N 1.99 5.07 0.28 1.44 1.01 -1.26 -5.05 121.20 124.69 2kga s ILE 60 Ca 0.01 1.01 -0.29 0.00 0.00 0.00 0.00 60.65 61.38 2kga s ILE 60 Cb -0.16 -3.87 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 2kga s ILE 60 CO -0.08 0.14 1.35 -2.84 0.00 0.00 0.00 174.94 173.51 2kga s PRO 61 N 1.83 4.33 0.21 2.79 0.02 -1.26 -4.91 135.00 138.01 2kga s PRO 61 Ca 0.25 2.22 -0.09 0.00 0.02 0.00 0.00 61.00 63.40 2kga s PRO 61 Cb -0.16 -3.10 0.25 0.00 0.02 0.00 0.00 34.50 31.51 2kga s PRO 61 CO 0.10 -0.28 1.80 -0.44 -0.33 0.00 0.00 177.00 177.85 2kga h ASP 62 N 4.25 0.53 0.80 2.53 3.32 -1.99 -0.93 116.42 124.92 2kga h ASP 62 Ca -0.47 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.51 2kga h ASP 62 Cb 1.22 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2kga h ASP 62 CO 0.71 0.34 -0.48 -2.24 -1.72 0.00 0.00 179.24 175.85 2kga h ASP 63 N 0.67 0.00 0.36 6.45 2.03 -1.99 -2.80 116.42 121.14 2kga h ASP 63 Ca 0.30 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.37 2kga h ASP 63 Cb 0.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.71 2kga h ASP 63 CO -0.19 0.48 -0.99 0.58 -1.03 0.00 0.00 179.24 178.09 2kga h VAL 64 N 0.00 1.41 0.00 4.15 2.07 -1.72 -2.61 116.25 119.55 2kga h VAL 64 Ca -0.00 -2.52 -0.02 0.00 0.82 0.00 0.00 66.70 64.98 2kga h VAL 64 Cb 1.01 2.49 -0.00 0.00 -1.52 0.00 0.00 31.29 33.26 2kga h VAL 64 CO 0.06 0.75 -0.09 0.00 0.02 0.00 0.00 177.57 178.32 2kga h ALA 65 N 0.71 1.77 -0.00 1.67 0.00 -0.99 -1.41 119.26 121.00 2kga h ALA 65 Ca -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kga h ALA 65 Cb 1.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2kga h ALA 65 CO 0.17 0.11 -0.29 0.41 0.00 0.00 0.00 179.25 179.64 2kga n GLY 66 N -1.23 -0.98 1.19 0.00 0.00 -1.06 -3.73 105.19 99.38 2kga n GLY 66 Ca -0.03 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.78 2kga n GLY 66 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kga n ARG 67 N -1.09 2.53 -2.64 1.61 1.85 -0.53 -4.86 116.66 113.53 2kga n ARG 67 Ca 0.10 -2.33 -0.43 0.00 -1.00 0.00 0.00 57.85 54.19 2kga n ARG 67 Cb 0.33 -1.52 -0.02 0.00 -1.05 0.00 0.00 32.46 30.19 2kga n ARG 67 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2kga s VAL 68 N -1.36 4.25 -0.07 8.89 1.01 -1.22 -4.84 120.40 127.05 2kga s VAL 68 Ca 0.42 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.52 2kga s VAL 68 Cb 0.23 -4.58 -0.26 0.00 0.00 0.00 0.00 36.38 31.78 2kga s VAL 68 CO 0.32 -0.99 0.55 -0.78 0.00 0.00 0.00 175.10 174.20 2kga h ASP 69 N 9.21 0.31 -4.74 3.32 3.58 -1.93 -3.48 116.42 122.69 2kga h ASP 69 Ca -0.23 -0.63 -0.23 0.00 0.42 0.00 0.00 57.03 56.35 2kga h ASP 69 Cb 1.06 -0.10 -0.18 0.00 1.72 0.00 0.00 39.33 41.83 2kga h ASP 69 CO 1.11 1.56 -0.71 0.42 -2.88 0.00 0.00 179.24 178.74 2kga s THR 70 N -2.58 0.56 0.46 2.25 -4.23 -1.26 -4.45 115.64 106.38 2kga s THR 70 Ca -0.15 -1.50 0.27 0.00 -1.18 0.00 0.00 61.69 59.13 2kga s THR 70 Cb 0.07 -1.13 0.47 0.00 1.34 0.00 0.00 72.50 73.25 2kga s THR 70 CO 0.80 -0.65 1.77 -0.65 -0.54 0.00 0.00 174.62 175.35 2kga h PRO 71 N 3.74 0.20 -0.73 3.99 0.11 -1.74 -0.53 132.00 137.04 2kga h PRO 71 Ca -0.35 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.89 2kga h PRO 71 Cb 1.18 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.15 2kga h PRO 71 CO 0.53 0.13 0.24 -0.09 -0.21 0.00 0.00 178.00 178.61 2kga h ARG 72 N 0.21 0.36 -0.05 1.05 2.43 -1.87 -0.49 114.38 116.02 2kga h ARG 72 Ca 0.61 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.67 2kga h ARG 72 Cb 1.92 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.38 2kga h ARG 72 CO -0.19 0.24 -0.36 0.93 -1.51 0.00 0.00 179.97 179.08 2kga h GLU 73 N 0.37 0.10 -0.18 0.20 3.07 -1.41 0.14 114.58 116.87 2kga h GLU 73 Ca 0.40 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 59.16 2kga h GLU 73 Cb 0.63 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.53 2kga h GLU 73 CO -0.43 0.45 -0.15 1.25 -1.40 0.00 0.00 179.01 178.73 2kga h LEU 74 N 0.09 0.44 -0.01 1.33 7.12 -1.32 0.19 115.31 123.15 2kga h LEU 74 Ca 0.01 -0.46 0.03 0.00 0.13 0.00 0.00 57.88 57.59 2kga h LEU 74 Cb 0.68 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.65 2kga h LEU 74 CO 0.05 0.81 -0.16 0.25 -0.13 0.00 0.00 178.44 179.25 2kga h LEU 75 N 0.07 -0.48 -1.05 2.25 5.85 -0.74 -0.97 115.31 120.25 2kga h LEU 75 Ca 0.03 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.90 2kga h LEU 75 Cb 0.67 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.83 2kga h LEU 75 CO 0.04 -0.22 0.63 -0.78 -0.34 0.00 0.00 178.44 177.77 2kga h ASP 76 N -0.26 0.98 -0.25 1.25 3.58 -0.68 -1.57 116.42 119.46 2kga h ASP 76 Ca 0.06 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 2kga h ASP 76 Cb 0.34 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2kga h ASP 76 CO -0.16 0.60 0.04 0.25 -2.88 0.00 0.00 179.24 177.09 2kga h LEU 77 N 1.10 0.40 0.13 2.28 5.85 -0.43 -1.34 115.31 123.30 2kga h LEU 77 Ca 0.44 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2kga h LEU 77 Cb 0.26 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2kga h LEU 77 CO -0.19 0.57 -0.06 0.40 -0.34 0.00 0.00 178.44 178.81 2kga h ILE 78 N 0.23 0.96 -0.44 4.05 1.08 -0.52 0.61 117.51 123.48 2kga h ILE 78 Ca 0.08 -0.35 -0.04 0.00 -0.39 0.00 0.00 64.86 64.15 2kga h ILE 78 Cb 0.34 1.18 -0.02 0.00 -3.07 0.00 0.00 36.82 35.25 2kga h ILE 78 CO 0.01 0.09 0.11 0.78 -0.69 0.00 0.00 178.15 178.44 2kga h ASN 79 N -0.34 0.61 -0.67 1.72 2.35 -1.38 0.24 115.58 118.11 2kga h ASN 79 Ca -0.02 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.59 2kga h ASN 79 Cb 0.27 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 2kga h ASN 79 CO 0.03 0.60 0.21 1.23 -1.65 0.00 0.00 177.43 177.86 2kga h GLY 80 N 0.86 1.12 1.44 2.83 0.00 -0.90 -0.69 103.07 107.72 2kga h GLY 80 Ca 0.15 -0.66 -0.16 0.00 0.00 0.00 0.00 47.33 46.65 2kga h GLY 80 CO -0.00 0.62 -0.55 0.00 0.00 0.00 0.00 176.54 176.60 2kga h ALA 81 N 1.09 0.67 -0.61 3.60 0.00 0.03 -2.77 119.26 121.26 2kga h ALA 81 Ca 0.22 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2kga h ALA 81 Cb 0.29 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2kga h ALA 81 CO -0.01 0.69 0.27 -0.07 0.00 0.00 0.00 179.25 180.13 2kga h LEU 82 N 0.45 0.82 -1.31 0.00 3.38 -0.29 0.36 115.31 118.72 2kga h LEU 82 Ca 0.01 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2kga h LEU 82 Cb 1.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2kga h LEU 82 CO 0.11 0.75 -0.09 0.00 0.09 0.00 0.00 178.44 179.30 2kga h ALA 83 N 1.11 1.44 0.00 1.53 0.00 -1.05 -2.49 119.26 119.79 2kga h ALA 83 Ca 0.21 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 2kga h ALA 83 Cb 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2kga h ALA 83 CO -0.02 0.39 -1.19 0.93 0.00 0.00 0.00 179.25 179.36 2kga h GLU 84 N 0.34 0.00 -1.30 0.00 4.39 -1.19 -3.48 114.58 113.34 2kga h GLU 84 Ca 0.07 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.46 2kga h GLU 84 Cb 0.37 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.94 2kga h GLU 84 CO 0.02 0.79 -0.33 0.00 -1.16 0.00 0.00 179.01 178.33 2kga n ALA 85 N -2.40 -0.32 0.13 3.43 0.00 0.12 -5.10 120.51 116.38 2kga n ALA 85 Ca -0.05 0.20 0.02 0.00 0.00 0.00 0.00 53.44 53.60 2kga n ALA 85 Cb 0.95 -1.69 0.01 0.00 0.00 0.00 0.00 19.45 18.73 2kga n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50