#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 3.15 -0.53 3.17 0.00 -1.26 -4.98 121.76 121.31 2kga s ALA 2 Ca 0.00 -0.91 -0.24 0.00 0.00 0.00 0.00 51.96 50.81 2kga s ALA 2 Cb 0.00 -3.78 0.04 0.00 0.00 0.00 0.00 23.12 19.38 2kga s ALA 2 CO 0.00 -2.31 0.91 0.99 0.00 0.00 0.00 175.76 175.35 2kga s THR 3 N 4.13 4.45 0.38 0.00 2.01 -1.26 -5.01 115.64 120.33 2kga s THR 3 Ca 0.37 0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.73 2kga s THR 3 Cb -0.10 -4.50 -0.07 0.00 0.01 0.00 0.00 72.50 67.84 2kga s THR 3 CO 0.24 -1.04 0.02 -0.76 -0.69 0.00 0.00 174.62 172.40 2kga s LEU 4 N 3.80 2.91 -0.21 4.42 1.43 -1.26 -4.83 118.68 124.95 2kga s LEU 4 Ca 0.30 -1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.08 2kga s LEU 4 Cb -0.13 -1.11 -0.05 0.00 0.03 0.00 0.00 46.19 44.93 2kga s LEU 4 CO 0.20 -0.38 0.17 -0.22 0.23 0.00 0.00 176.35 176.35 2kga s LEU 5 N -3.73 4.18 0.39 1.79 2.96 -1.26 -5.09 118.68 117.92 2kga s LEU 5 Ca 0.36 0.23 0.06 0.00 -0.22 0.00 0.00 54.13 54.55 2kga s LEU 5 Cb 0.05 -2.14 0.00 0.00 0.50 0.00 0.00 46.19 44.60 2kga s LEU 5 CO 0.19 0.12 0.55 0.42 -1.32 0.00 0.00 176.35 176.31 2kga s THR 6 N 0.65 3.65 0.22 3.68 -4.23 -1.26 -4.92 115.64 113.44 2kga s THR 6 Ca 0.09 -0.91 -0.08 0.00 -1.18 0.00 0.00 61.69 59.61 2kga s THR 6 Cb -0.12 -3.27 0.18 0.00 1.34 0.00 0.00 72.50 70.63 2kga s THR 6 CO 0.01 -0.12 1.85 0.74 -0.54 0.00 0.00 174.62 176.57 2kga h THR 7 N 0.70 1.09 0.00 3.99 2.02 -1.98 0.15 112.91 118.86 2kga h THR 7 Ca -0.44 -0.32 -0.10 0.00 0.77 0.00 0.00 66.41 66.32 2kga h THR 7 Cb 1.27 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2kga h THR 7 CO 0.51 0.17 -0.49 -2.24 0.37 0.00 0.00 175.52 173.84 2kga h ASP 8 N 0.94 0.00 -0.24 4.18 2.03 -1.94 0.87 116.42 122.26 2kga h ASP 8 Ca 0.32 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.46 2kga h ASP 8 Cb 0.06 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 2kga h ASP 8 CO -0.13 0.49 -0.48 -0.78 -1.03 0.00 0.00 179.24 177.31 2kga h ASP 9 N 0.00 0.84 -0.31 4.15 1.82 -1.72 -2.70 116.42 118.50 2kga h ASP 9 Ca -0.00 -0.55 -0.07 0.00 -0.39 0.00 0.00 57.03 56.02 2kga h ASP 9 Cb 0.88 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.63 2kga h ASP 9 CO 0.06 1.23 -0.02 0.25 -1.61 0.00 0.00 179.24 179.15 2kga h LEU 10 N 0.48 0.64 -0.58 2.28 5.85 -0.62 -1.72 115.31 121.64 2kga h LEU 10 Ca 0.01 -0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.69 2kga h LEU 10 Cb 1.09 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.86 2kga h LEU 10 CO 0.11 0.72 0.09 -0.09 -0.34 0.00 0.00 178.44 178.93 2kga h ARG 11 N 0.63 0.20 -0.25 1.25 2.43 -0.64 -0.46 114.38 117.55 2kga h ARG 11 Ca 0.13 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 2kga h ARG 11 Cb 0.42 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 2kga h ARG 11 CO 0.02 0.14 -0.00 0.00 -1.51 0.00 0.00 179.97 178.61 2kga h ARG 12 N 0.21 0.07 -0.50 0.20 3.08 -1.00 0.23 114.38 116.67 2kga h ARG 12 Ca 0.30 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 2kga h ARG 12 Cb 0.45 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2kga h ARG 12 CO -0.42 0.05 0.27 0.00 -1.07 0.00 0.00 179.97 178.80 2kga h ALA 13 N 1.21 0.64 0.40 0.04 0.00 -1.08 -0.19 119.26 120.29 2kga h ALA 13 Ca 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2kga h ALA 13 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2kga h ALA 13 CO -0.20 0.17 -0.19 -0.07 0.00 0.00 0.00 179.25 178.96 2kga h LEU 14 N 0.67 -0.45 -1.92 0.00 3.38 -0.80 -2.66 115.31 113.52 2kga h LEU 14 Ca 0.18 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2kga h LEU 14 Cb 0.05 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2kga h LEU 14 CO -0.03 -0.08 -0.01 1.62 0.09 0.00 0.00 178.44 180.04 2kga h VAL 15 N -0.89 0.03 0.00 1.22 3.04 -0.44 0.38 116.25 119.60 2kga h VAL 15 Ca -0.05 -0.38 -0.03 0.00 -1.01 0.00 0.00 66.70 65.23 2kga h VAL 15 Cb 0.55 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 31.19 2kga h VAL 15 CO 0.09 0.01 -0.72 -0.33 -1.01 0.00 0.00 177.57 175.61 2kga h GLU 16 N 0.00 0.00 0.07 4.17 5.08 -1.07 -1.83 114.58 121.00 2kga h GLU 16 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2kga h GLU 16 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2kga h GLU 16 CO 0.00 0.09 -0.83 0.77 -1.00 0.00 0.00 179.01 178.04 2kga h SER 17 N 0.00 0.24 -1.01 1.42 0.02 -0.71 -3.45 113.55 110.06 2kga h SER 17 Ca -0.02 -0.87 -0.04 0.00 -0.84 0.00 0.00 61.79 60.02 2kga h SER 17 Cb 1.12 -0.08 -0.20 0.00 0.14 0.00 0.00 62.40 63.38 2kga h SER 17 CO 0.01 1.37 -0.43 0.00 -1.14 0.00 0.00 176.83 176.64 2kga s ALA 18 N -2.37 -2.37 -0.21 3.77 0.00 0.12 -5.00 121.76 115.70 2kga s ALA 18 Ca -0.19 0.46 -0.16 0.00 0.00 0.00 0.00 51.96 52.07 2kga s ALA 18 Cb 0.02 -2.68 -0.09 0.00 0.00 0.00 0.00 23.12 20.37 2kga s ALA 18 CO 0.74 -2.10 -0.23 0.41 0.00 0.00 0.00 175.76 174.57 2kga n GLY 19 N 4.71 -0.64 6.92 0.00 0.00 -0.69 -4.22 105.19 111.28 2kga n GLY 19 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2kga n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kga n GLU 20 N -4.42 -0.02 -0.78 1.61 -0.58 -1.26 -1.26 120.64 113.93 2kga n GLU 20 Ca -0.29 0.01 -0.03 0.00 -0.42 0.00 0.00 57.16 56.44 2kga n GLU 20 Cb 0.62 -0.03 -0.03 0.00 -0.57 0.00 0.00 31.44 31.43 2kga n GLU 20 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2kga n THR 21 N -1.22 0.00 -0.08 2.62 5.66 -1.26 -4.63 114.28 115.37 2kga n THR 21 Ca 0.00 -0.05 -0.17 0.00 -3.05 0.00 0.00 64.05 60.78 2kga n THR 21 Cb 0.01 0.30 -0.13 0.00 -1.55 0.00 0.00 70.33 68.96 2kga n THR 21 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2kga h ASP 22 N 0.05 0.01 0.00 1.09 5.19 -1.98 -3.47 116.42 117.30 2kga h ASP 22 Ca -0.27 -0.83 0.00 0.00 -0.62 0.00 0.00 57.03 55.31 2kga h ASP 22 Cb 1.25 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2kga h ASP 22 CO -0.13 1.18 0.00 0.61 -3.12 0.00 0.00 179.24 177.78 2kga n GLY 23 N 1.55 0.35 3.08 2.75 0.00 -1.26 -4.95 105.19 106.71 2kga n GLY 23 Ca -0.18 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 2.87 -4.61 2.61 5.66 -1.26 -4.83 114.28 114.72 2kga n THR 24 Ca 0.00 -2.65 -0.31 0.00 -3.05 0.00 0.00 64.05 58.03 2kga n THR 24 Cb 0.00 -2.43 -0.17 0.00 -1.55 0.00 0.00 70.33 66.19 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 4.29 2.94 -0.12 1.09 -4.77 -1.25 -4.22 116.67 114.64 2kga s ASP 25 Ca 0.54 -0.56 0.02 0.00 -3.30 0.00 0.00 52.55 49.25 2kga s ASP 25 Cb 0.11 -1.35 0.01 0.00 -1.09 0.00 0.00 42.92 40.60 2kga s ASP 25 CO 0.03 0.06 -0.17 -0.22 0.70 0.00 0.00 175.17 175.57 2kga s LEU 26 N 0.87 1.81 0.09 2.11 0.20 -0.39 -5.02 118.68 118.36 2kga s LEU 26 Ca -0.07 -0.48 -0.26 0.00 0.69 0.00 0.00 54.13 54.02 2kga s LEU 26 Cb -0.15 -1.18 0.09 0.00 -0.43 0.00 0.00 46.19 44.51 2kga s LEU 26 CO -0.02 0.02 1.13 -0.55 -0.29 0.00 0.00 176.35 176.64 2kga s SER 27 N 0.99 -0.05 1.73 3.68 0.15 -1.26 -4.64 113.70 114.29 2kga s SER 27 Ca -0.06 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.21 2kga s SER 27 Cb -0.15 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2kga s SER 27 CO -0.03 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.36 2kga n GLY 28 N -0.62 2.78 3.86 9.45 0.00 -1.26 -4.57 105.19 114.83 2kga n GLY 28 Ca -0.04 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 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 6.52 0.00 1.61 -1.08 -1.26 -4.92 116.67 113.54 2kga s ASP 29 Ca 0.00 0.63 0.00 0.00 -0.52 0.00 0.00 52.55 52.66 2kga s ASP 29 Cb 0.00 -2.13 0.00 0.00 -1.46 0.00 0.00 42.92 39.33 2kga s ASP 29 CO 0.00 0.37 0.11 2.22 0.52 0.00 0.00 175.17 178.40 2kga n PHE 30 N 1.98 0.00 -0.33 -5.34 1.16 -1.26 -4.98 117.46 108.69 2kga n PHE 30 Ca -0.18 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.52 2kga n PHE 30 Cb 0.54 0.07 0.34 0.00 -1.61 0.00 0.00 39.48 38.82 2kga n PHE 30 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 2kga h LEU 31 N 0.00 0.75 -2.52 5.98 5.85 -1.97 -0.79 115.31 122.61 2kga h LEU 31 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2kga h LEU 31 Cb 0.80 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.75 2kga h LEU 31 CO 0.00 0.32 0.00 0.47 -0.34 0.00 0.00 178.44 178.89 2kga n ASP 32 N -4.66 3.61 -4.76 1.25 8.00 -1.26 -2.31 116.55 116.42 2kga n ASP 32 Ca 0.21 -1.98 -0.40 0.00 0.71 0.00 0.00 54.79 53.33 2kga n ASP 32 Cb 0.52 -0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 2kga n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2kga s LEU 33 N -1.25 4.53 -0.02 0.64 1.02 -0.30 -4.95 118.68 118.35 2kga s LEU 33 Ca 0.41 1.58 -0.30 0.00 0.02 0.00 0.00 54.13 55.85 2kga s LEU 33 Cb 0.23 -3.29 -0.03 0.00 0.02 0.00 0.00 46.19 43.11 2kga s LEU 33 CO 0.31 0.11 1.12 -0.13 0.02 0.00 0.00 176.35 177.78 2kga s ARG 34 N -0.64 4.43 0.30 1.70 1.81 -1.26 -4.06 118.95 121.24 2kga s ARG 34 Ca 0.38 1.60 0.06 0.00 -1.72 0.00 0.00 55.73 56.04 2kga s ARG 34 Cb -0.22 -3.48 0.76 0.00 -0.45 0.00 0.00 34.95 31.56 2kga s ARG 34 CO 0.25 -0.29 1.74 0.74 -0.68 0.00 0.00 175.30 177.06 2kga h PHE 35 N 7.08 0.91 -0.78 -0.53 0.04 -1.44 0.04 116.94 122.26 2kga h PHE 35 Ca -0.37 0.04 0.17 0.00 2.80 0.00 0.00 57.97 60.60 2kga h PHE 35 Cb 1.19 -0.25 -0.05 0.00 2.20 0.00 0.00 35.95 39.03 2kga h PHE 35 CO 0.70 0.10 0.52 1.05 -0.60 0.00 0.00 178.31 180.08 2kga h GLU 36 N 0.59 0.35 0.00 1.51 4.11 -1.84 0.26 114.58 119.56 2kga h GLU 36 Ca 0.58 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.94 2kga h GLU 36 Cb 1.02 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 2kga h GLU 36 CO -0.45 0.23 -0.94 0.22 0.07 0.00 0.00 179.01 178.14 2kga h ASP 37 N 0.36 0.00 -0.49 3.06 3.58 -1.34 -3.21 116.42 118.38 2kga h ASP 37 Ca 0.39 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.84 2kga h ASP 37 Cb 0.99 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.04 2kga h ASP 37 CO -0.12 0.18 0.00 2.30 -2.88 0.00 0.00 179.24 178.73 2kga n ILE 38 N -2.83 1.94 -2.77 2.25 -5.35 -0.77 -4.88 119.36 106.95 2kga n ILE 38 Ca -0.02 -1.06 -0.21 0.00 -0.27 0.00 0.00 62.75 61.20 2kga n ILE 38 Cb 0.63 -0.18 0.02 0.00 -1.74 0.00 0.00 39.64 38.37 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 0.69 -0.46 3.34 3.28 0.00 -1.09 -4.21 105.19 106.74 2kga n GLY 39 Ca 0.22 0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.82 2kga n GLY 39 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kga s TYR 40 N -3.10 3.24 0.74 1.61 5.04 0.01 -4.93 117.35 119.97 2kga s TYR 40 Ca 0.19 -1.14 -0.07 0.00 -2.44 0.00 0.00 57.07 53.61 2kga s TYR 40 Cb -0.08 -3.56 0.09 0.00 0.35 0.00 0.00 41.96 38.75 2kga s TYR 40 CO 0.24 -0.94 1.06 -0.51 -1.34 0.00 0.00 175.55 174.05 2kga s ASP 41 N 3.21 4.53 0.39 4.32 1.01 -1.26 -4.13 116.67 124.74 2kga s ASP 41 Ca 0.04 0.34 0.16 0.00 0.71 0.00 0.00 52.55 53.79 2kga s ASP 41 Cb -0.28 -0.87 1.03 0.00 1.01 0.00 0.00 42.92 43.81 2kga s ASP 41 CO 0.04 -1.79 1.82 0.77 0.21 0.00 0.00 175.17 176.23 2kga h SER 42 N -0.74 0.48 -0.43 0.27 4.64 -1.99 -0.56 113.55 115.23 2kga h SER 42 Ca -0.43 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 60.90 2kga h SER 42 Cb 1.30 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 2kga h SER 42 CO 0.55 0.17 0.10 0.25 -0.87 0.00 0.00 176.83 177.03 2kga h LEU 43 N 0.47 0.65 -0.92 5.97 7.12 -2.00 -1.08 115.31 125.52 2kga h LEU 43 Ca 0.52 -0.24 -0.07 0.00 0.13 0.00 0.00 57.88 58.22 2kga h LEU 43 Cb 1.20 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 41.13 2kga h LEU 43 CO -0.23 0.72 0.00 0.00 -0.13 0.00 0.00 178.44 178.80 2kga h ALA 44 N 0.96 1.10 -0.56 1.25 0.00 -1.50 -2.75 119.26 117.76 2kga h ALA 44 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kga h ALA 44 Cb 0.32 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2kga h ALA 44 CO 0.00 0.57 0.36 -0.07 0.00 0.00 0.00 179.25 180.12 2kga h LEU 45 N 0.75 0.66 -1.00 0.00 3.38 -0.78 -1.67 115.31 116.65 2kga h LEU 45 Ca 0.15 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2kga h LEU 45 Cb 0.45 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2kga h LEU 45 CO 0.02 0.49 0.04 0.00 0.09 0.00 0.00 178.44 179.08 2kga h MET 46 N 0.76 0.75 -0.08 1.13 -0.00 -0.97 0.11 114.93 116.64 2kga h MET 46 Ca 0.20 -0.18 -0.00 0.00 -0.00 0.00 0.00 59.70 59.72 2kga h MET 46 Cb -0.06 -0.10 -0.00 0.00 -0.00 0.00 0.00 31.60 31.44 2kga h MET 46 CO -0.04 0.74 0.03 0.93 -0.00 0.00 0.00 176.91 178.57 2kga h GLU 47 N 0.72 0.12 0.25 -0.10 4.39 -1.18 -0.80 114.58 117.96 2kga h GLU 47 Ca 0.15 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 2kga h GLU 47 Cb 0.39 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2kga h GLU 47 CO 0.01 0.24 -0.12 1.15 -1.16 0.00 0.00 179.01 179.14 2kga h THR 48 N -0.04 0.78 0.02 1.13 2.02 -1.05 -2.43 112.91 113.35 2kga h THR 48 Ca 0.03 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.13 2kga h THR 48 Cb 0.17 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 2kga h THR 48 CO -0.00 0.02 -0.23 0.00 0.37 0.00 0.00 175.52 175.68 2kga h ALA 49 N 0.37 -0.31 -0.79 6.16 0.00 -0.72 -2.10 119.26 121.87 2kga h ALA 49 Ca -0.03 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2kga h ALA 49 Cb 0.29 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2kga h ALA 49 CO 0.06 -0.73 0.52 0.00 0.00 0.00 0.00 179.25 179.10 2kga h ALA 50 N 0.48 1.48 -0.10 0.00 0.00 -1.15 0.24 119.26 120.21 2kga h ALA 50 Ca 0.06 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2kga h ALA 50 Cb 0.44 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2kga h ALA 50 CO -0.19 0.46 -0.43 -0.09 0.00 0.00 0.00 179.25 179.00 2kga h ARG 51 N 1.02 0.22 0.15 0.00 2.43 -1.00 -2.29 114.38 114.90 2kga h ARG 51 Ca 0.30 -0.11 -0.29 0.00 -0.81 0.00 0.00 59.98 59.08 2kga h ARG 51 Cb -0.04 -0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2kga h ARG 51 CO -0.08 0.61 -1.27 -0.07 -1.51 0.00 0.00 179.97 177.66 2kga h LEU 52 N 0.18 0.60 0.16 3.80 3.38 -0.64 -2.92 115.31 119.87 2kga h LEU 52 Ca 0.01 -0.61 0.01 0.00 0.09 0.00 0.00 57.88 57.39 2kga h LEU 52 Cb 0.84 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2kga h LEU 52 CO 0.07 1.46 -0.22 -0.33 0.09 0.00 0.00 178.44 179.51 2kga h GLU 53 N 0.13 -0.42 -0.04 1.13 5.08 -0.75 0.66 114.58 120.37 2kga h GLU 53 Ca -0.17 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2kga h GLU 53 Cb 1.97 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 31.31 2kga h GLU 53 CO 0.22 -0.28 0.01 0.66 -1.00 0.00 0.00 179.01 178.63 2kga h SER 54 N -0.43 0.06 -0.57 1.42 4.64 -1.54 0.14 113.55 117.27 2kga h SER 54 Ca 0.01 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.09 2kga h SER 54 Cb 0.43 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2kga h SER 54 CO -0.09 0.23 0.15 -0.09 -0.87 0.00 0.00 176.83 176.16 2kga h ARG 55 N -0.12 0.90 0.00 4.77 2.43 -1.42 -3.20 114.38 117.74 2kga h ARG 55 Ca 0.01 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 58.94 2kga h ARG 55 Cb 0.20 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2kga h ARG 55 CO -0.00 0.83 -1.43 0.66 -1.51 0.00 0.00 179.97 178.53 2kga n TYR 56 N -4.40 0.62 -1.49 2.20 4.01 0.21 -4.98 117.16 113.33 2kga n TYR 56 Ca 0.03 0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 2kga n TYR 56 Cb 0.23 -0.82 0.00 0.00 -0.31 0.00 0.00 39.34 38.44 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 1.25 0.78 3.53 2.72 0.00 0.35 -4.91 105.19 108.90 2kga n GLY 57 Ca -0.03 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.51 1.21 -0.05 1.61 -7.23 -0.27 -4.76 120.40 108.41 2kga s VAL 58 Ca 0.00 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 2kga s VAL 58 Cb 0.00 -2.66 0.03 0.00 0.56 0.00 0.00 36.38 34.31 2kga s VAL 58 CO 0.00 0.00 0.06 -0.44 -0.31 0.00 0.00 175.10 174.41 2kga s SER 59 N -3.60 1.20 -0.37 4.85 0.01 -1.26 -4.46 113.70 110.07 2kga s SER 59 Ca 0.30 0.05 -0.16 0.00 1.31 0.00 0.00 55.95 57.44 2kga s SER 59 Cb 0.07 -0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.14 2kga s SER 59 CO 0.14 -0.25 0.40 -0.63 0.41 0.00 0.00 173.24 173.31 2kga s ILE 60 N 2.16 5.13 0.62 1.44 1.01 -1.26 -5.06 121.20 125.23 2kga s ILE 60 Ca 0.05 -0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.49 2kga s ILE 60 Cb -0.12 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 2kga s ILE 60 CO -0.03 -0.20 1.16 -2.84 0.00 0.00 0.00 174.94 173.02 2kga s PRO 61 N 2.09 2.86 0.27 2.79 0.02 -1.26 -4.81 135.00 136.97 2kga s PRO 61 Ca 0.13 1.64 -0.02 0.00 0.02 0.00 0.00 61.00 62.77 2kga s PRO 61 Cb -0.17 -1.94 0.45 0.00 0.02 0.00 0.00 34.50 32.87 2kga s PRO 61 CO 0.12 -1.25 1.86 -0.44 -0.33 0.00 0.00 177.00 176.96 2kga h ASP 62 N 0.51 0.95 1.02 2.53 5.19 -1.98 0.63 116.42 125.27 2kga h ASP 62 Ca -0.49 0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 55.90 2kga h ASP 62 Cb 1.27 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 2kga h ASP 62 CO 0.54 0.57 -0.25 -2.24 -3.12 0.00 0.00 179.24 174.75 2kga h ASP 63 N 1.07 0.00 0.00 6.45 2.03 -1.97 -0.04 116.42 123.96 2kga h ASP 63 Ca 0.45 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.73 2kga h ASP 63 Cb 0.29 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.79 2kga h ASP 63 CO -0.21 0.25 -0.15 0.58 -1.03 0.00 0.00 179.24 178.68 2kga h VAL 64 N 0.00 0.83 -0.36 4.15 2.07 -1.59 -3.06 116.25 118.29 2kga h VAL 64 Ca -0.00 -1.66 0.03 0.00 0.82 0.00 0.00 66.70 65.89 2kga h VAL 64 Cb 0.82 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 2kga h VAL 64 CO 0.03 0.28 0.24 0.00 0.02 0.00 0.00 177.57 178.15 2kga h ALA 65 N -0.54 1.90 0.00 1.67 0.00 -0.88 0.09 119.26 121.50 2kga h ALA 65 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kga h ALA 65 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kga h ALA 65 CO -0.02 0.05 -0.12 0.41 0.00 0.00 0.00 179.25 179.58 2kga n GLY 66 N -1.51 -1.55 0.00 0.00 0.00 -0.03 -3.67 105.19 98.43 2kga n GLY 66 Ca 0.04 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.88 0.30 -2.72 1.61 1.85 -0.03 -4.86 116.66 110.93 2kga n ARG 67 Ca 0.06 -0.07 -0.42 0.00 -1.00 0.00 0.00 57.85 56.42 2kga n ARG 67 Cb 0.39 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.27 2kga n ARG 67 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2kga s VAL 68 N -3.15 4.18 -0.12 8.89 -7.23 -0.91 -4.82 120.40 117.24 2kga s VAL 68 Ca 0.02 0.40 0.21 0.00 -1.81 0.00 0.00 61.98 60.80 2kga s VAL 68 Cb 0.15 -4.67 -0.20 0.00 0.56 0.00 0.00 36.38 32.22 2kga s VAL 68 CO 0.87 -1.33 0.64 0.47 -0.31 0.00 0.00 175.10 175.44 2kga n ASP 69 N 8.05 0.38 -4.34 4.85 8.00 -1.26 -4.90 116.55 127.33 2kga n ASP 69 Ca 0.03 0.15 -0.30 0.00 0.71 0.00 0.00 54.79 55.39 2kga n ASP 69 Cb 0.48 1.14 -0.15 0.00 -0.02 0.00 0.00 41.12 42.57 2kga n ASP 69 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2kga s THR 70 N -3.25 2.12 0.49 -3.53 -4.23 -1.26 -1.10 115.64 104.88 2kga s THR 70 Ca -0.05 -1.39 0.18 0.00 -1.18 0.00 0.00 61.69 59.25 2kga s THR 70 Cb 0.11 -1.81 0.34 0.00 1.34 0.00 0.00 72.50 72.47 2kga s THR 70 CO 0.85 0.35 2.03 -0.65 -0.54 0.00 0.00 174.62 176.66 2kga h PRO 71 N 4.78 0.17 -0.53 3.99 0.11 -1.70 -2.19 132.00 136.63 2kga h PRO 71 Ca -0.46 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.73 2kga h PRO 71 Cb 1.14 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.14 2kga h PRO 71 CO 0.43 0.11 0.07 -0.09 -0.21 0.00 0.00 178.00 178.32 2kga h ARG 72 N 0.17 0.19 -0.15 1.05 2.43 -1.78 0.25 114.38 116.55 2kga h ARG 72 Ca 0.20 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.25 2kga h ARG 72 Cb 0.56 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2kga h ARG 72 CO -0.03 0.13 -0.37 0.93 -1.51 0.00 0.00 179.97 179.12 2kga h GLU 73 N 0.20 0.31 -0.29 0.20 4.39 -1.69 -0.17 114.58 117.53 2kga h GLU 73 Ca 0.27 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 2kga h GLU 73 Cb 0.39 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2kga h GLU 73 CO -0.38 0.64 -0.19 1.25 -1.16 0.00 0.00 179.01 179.18 2kga h LEU 74 N 0.27 0.67 -0.44 1.33 7.12 -1.30 -1.81 115.31 121.14 2kga h LEU 74 Ca 0.03 -0.43 0.07 0.00 0.13 0.00 0.00 57.88 57.68 2kga h LEU 74 Cb 0.77 -0.19 -0.06 0.00 -0.53 0.00 0.00 40.66 40.66 2kga h LEU 74 CO 0.06 0.95 0.09 0.25 -0.13 0.00 0.00 178.44 179.67 2kga h LEU 75 N 0.38 0.02 -0.59 2.25 5.85 -0.04 -0.20 115.31 122.97 2kga h LEU 75 Ca 0.06 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.91 2kga h LEU 75 Cb 0.72 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 2kga h LEU 75 CO 0.05 0.04 0.31 -0.78 -0.34 0.00 0.00 178.44 177.72 2kga h ASP 76 N 0.23 0.44 -0.47 1.25 3.58 -0.91 0.13 116.42 120.67 2kga h ASP 76 Ca 0.22 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.65 2kga h ASP 76 Cb 0.27 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 2kga h ASP 76 CO -0.28 0.29 0.09 0.25 -2.88 0.00 0.00 179.24 176.71 2kga h LEU 77 N 0.58 0.73 0.22 2.28 7.12 -0.43 0.89 115.31 126.70 2kga h LEU 77 Ca 0.27 -0.25 -0.01 0.00 0.13 0.00 0.00 57.88 58.02 2kga h LEU 77 Cb 0.18 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 2kga h LEU 77 CO -0.18 0.79 -0.11 0.40 -0.13 0.00 0.00 178.44 179.21 2kga h ILE 78 N 0.64 0.84 -0.15 4.05 1.08 -0.59 0.12 117.51 123.50 2kga h ILE 78 Ca 0.15 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 2kga h ILE 78 Cb 0.36 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 2kga h ILE 78 CO 0.01 0.08 0.07 0.78 -0.69 0.00 0.00 178.15 178.40 2kga h ASN 79 N -0.48 0.18 -0.20 1.72 2.35 -0.69 0.26 115.58 118.72 2kga h ASN 79 Ca -0.03 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 2kga h ASN 79 Cb 0.36 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2kga h ASN 79 CO 0.05 0.16 -0.10 1.23 -1.65 0.00 0.00 177.43 177.12 2kga h GLY 80 N 0.28 0.46 2.00 2.83 0.00 -0.44 -3.02 103.07 105.18 2kga h GLY 80 Ca 0.05 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 2kga h GLY 80 CO -0.01 0.37 -0.31 0.00 0.00 0.00 0.00 176.54 176.59 2kga h ALA 81 N 0.70 1.00 0.00 3.60 0.00 0.04 -2.62 119.26 121.98 2kga h ALA 81 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kga h ALA 81 Cb 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kga h ALA 81 CO 0.03 0.39 0.00 -0.07 0.00 0.00 0.00 179.25 179.60 2kga h LEU 82 N 0.00 0.00 -1.06 0.00 3.38 -0.42 0.16 115.31 117.37 2kga h LEU 82 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2kga h LEU 82 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2kga h LEU 82 CO 0.04 0.00 -0.33 0.00 0.09 0.00 0.00 178.44 178.24 2kga h ALA 83 N 2.25 1.21 0.14 1.53 0.00 -1.34 -3.18 119.26 119.88 2kga h ALA 83 Ca 0.00 -0.35 -0.27 0.00 0.00 0.00 0.00 54.91 54.28 2kga h ALA 83 Cb 0.44 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2kga h ALA 83 CO 0.00 0.53 -1.35 0.93 0.00 0.00 0.00 179.25 179.36 2kga h GLU 84 N 0.22 0.30 -5.92 0.00 4.39 -1.31 -3.42 114.58 108.83 2kga h GLU 84 Ca 0.03 -0.51 -0.43 0.00 0.34 0.00 0.00 59.36 58.79 2kga h GLU 84 Cb 0.69 0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.48 2kga h GLU 84 CO 0.05 1.24 1.09 0.00 -1.16 0.00 0.00 179.01 180.24 2kga s ALA 85 N -2.49 2.07 0.00 3.43 0.00 0.42 -5.15 121.76 120.04 2kga s ALA 85 Ca -0.17 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2kga s ALA 85 Cb 0.04 -4.42 0.00 0.00 0.00 0.00 0.00 23.12 18.74 2kga s ALA 85 CO 0.80 -4.18 0.00 0.00 0.00 0.00 0.00 175.76 172.38