#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kga n ALA 2 N 0.00 -3.08 -2.63 -5.12 0.00 -1.26 -4.91 120.51 103.51 2kga n ALA 2 Ca 0.00 0.86 -0.42 0.00 0.00 0.00 0.00 53.44 53.88 2kga n ALA 2 Cb 0.00 -2.68 -0.03 0.00 0.00 0.00 0.00 19.45 16.74 2kga n ALA 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2kga s THR 3 N -2.16 4.19 0.55 0.00 2.01 -1.26 -5.01 115.64 113.97 2kga s THR 3 Ca 0.17 0.51 -0.02 0.00 0.31 0.00 0.00 61.69 62.66 2kga s THR 3 Cb -0.04 -4.65 0.02 0.00 0.01 0.00 0.00 72.50 67.84 2kga s THR 3 CO 0.75 -1.27 0.80 -0.76 -0.69 0.00 0.00 174.62 173.46 2kga s LEU 4 N 4.48 3.31 -0.17 4.42 1.43 -1.26 -5.04 118.68 125.85 2kga s LEU 4 Ca 0.35 0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 53.47 2kga s LEU 4 Cb -0.10 -3.14 -0.00 0.00 0.03 0.00 0.00 46.19 42.98 2kga s LEU 4 CO 0.21 -1.06 1.01 -0.22 0.23 0.00 0.00 176.35 176.52 2kga s LEU 5 N -4.82 4.18 0.00 1.79 2.96 -1.26 -5.02 118.68 116.50 2kga s LEU 5 Ca 0.54 1.44 0.00 0.00 -0.22 0.00 0.00 54.13 55.89 2kga s LEU 5 Cb -0.10 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.06 2kga s LEU 5 CO 0.41 -0.54 0.00 0.35 -1.32 0.00 0.00 176.35 175.24 2kga n THR 6 N 4.91 0.00 0.00 3.68 -2.24 -1.26 -4.84 114.28 114.53 2kga n THR 6 Ca 0.10 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.77 2kga n THR 6 Cb 0.48 -0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.59 2kga n THR 6 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2kga h THR 7 N 0.84 0.25 -0.13 4.28 2.02 -1.98 0.48 112.91 118.67 2kga h THR 7 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 2kga h THR 7 Cb 0.00 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 2kga h THR 7 CO 0.00 0.00 -0.41 -0.78 0.37 0.00 0.00 175.52 174.70 2kga h ASP 8 N -0.42 0.30 -0.36 4.18 3.58 -1.96 0.11 116.42 121.85 2kga h ASP 8 Ca 0.09 -0.13 -0.07 0.00 0.42 0.00 0.00 57.03 57.35 2kga h ASP 8 Cb 0.57 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2kga h ASP 8 CO -0.36 0.69 -0.04 0.44 -2.88 0.00 0.00 179.24 177.08 2kga h ASP 9 N 0.24 0.66 -0.50 2.28 3.32 -1.83 -1.79 116.42 118.79 2kga h ASP 9 Ca 0.02 -0.34 -0.08 0.00 0.02 0.00 0.00 57.03 56.66 2kga h ASP 9 Cb 0.83 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 2kga h ASP 9 CO 0.07 0.84 0.00 0.25 -1.72 0.00 0.00 179.24 178.68 2kga h LEU 10 N 0.46 0.86 -0.43 1.55 5.85 -0.62 -2.68 115.31 120.31 2kga h LEU 10 Ca 0.10 -0.30 0.09 0.00 0.84 0.00 0.00 57.88 58.60 2kga h LEU 10 Cb 0.53 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.23 2kga h LEU 10 CO 0.03 0.96 -0.21 -0.09 -0.34 0.00 0.00 178.44 178.78 2kga h ARG 11 N 0.75 -0.13 -0.50 1.25 2.43 -0.52 0.69 114.38 118.35 2kga h ARG 11 Ca 0.14 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.37 2kga h ARG 11 Cb 0.51 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 2kga h ARG 11 CO 0.03 -0.08 0.25 0.00 -1.51 0.00 0.00 179.97 178.65 2kga h ARG 12 N -0.13 0.47 -0.14 0.20 3.08 -1.16 0.24 114.38 116.94 2kga h ARG 12 Ca 0.20 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 2kga h ARG 12 Cb 0.45 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2kga h ARG 12 CO -0.51 0.31 0.04 0.00 -1.07 0.00 0.00 179.97 178.75 2kga h ALA 13 N 1.27 0.18 -0.18 0.04 0.00 -0.98 -2.36 119.26 117.24 2kga h ALA 13 Ca 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2kga h ALA 13 Cb 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kga h ALA 13 CO -0.16 -0.21 0.05 -0.07 0.00 0.00 0.00 179.25 178.87 2kga h LEU 14 N 0.04 0.26 -1.22 0.00 -0.00 -0.60 -1.31 115.31 112.49 2kga h LEU 14 Ca 0.04 -0.21 -0.05 0.00 -0.00 0.00 0.00 57.88 57.66 2kga h LEU 14 Cb 0.22 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.79 2kga h LEU 14 CO -0.00 0.40 -0.05 1.62 -0.00 0.00 0.00 178.44 180.41 2kga h VAL 15 N 0.11 1.20 -0.03 1.22 3.04 -0.49 0.22 116.25 121.53 2kga h VAL 15 Ca 0.06 -0.84 -0.22 0.00 -1.01 0.00 0.00 66.70 64.70 2kga h VAL 15 Cb 0.23 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2kga h VAL 15 CO -0.00 0.28 -0.88 -0.33 -1.01 0.00 0.00 177.57 175.63 2kga h GLU 16 N 0.45 0.42 0.00 4.17 5.08 -1.37 -3.14 114.58 120.20 2kga h GLU 16 Ca 0.09 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2kga h GLU 16 Cb 0.37 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2kga h GLU 16 CO 0.02 1.08 0.00 0.45 -1.00 0.00 0.00 179.01 179.55 2kga n SER 17 N -3.77 0.32 0.11 1.42 2.88 -0.50 -1.77 113.62 112.30 2kga n SER 17 Ca -0.06 0.53 -0.03 0.00 -1.33 0.00 0.00 58.87 57.98 2kga n SER 17 Cb 0.80 -0.62 0.07 0.00 -0.75 0.00 0.00 64.21 63.71 2kga n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kga h ALA 18 N 2.79 0.73 -0.66 -1.46 0.00 -0.93 -3.44 119.26 116.27 2kga h ALA 18 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2kga h ALA 18 Cb 0.58 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kga h ALA 18 CO 0.00 0.92 0.00 0.41 0.00 0.00 0.00 179.25 180.58 2kga n GLY 19 N 0.71 0.41 1.04 0.00 0.00 -0.73 -5.03 105.19 101.59 2kga n GLY 19 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 -2.72 -2.49 1.61 -0.58 -1.26 -4.79 120.64 110.41 2kga n GLU 20 Ca 0.00 2.02 -0.41 0.00 -0.42 0.00 0.00 57.16 58.35 2kga n GLU 20 Cb 0.00 -2.14 0.01 0.00 -0.57 0.00 0.00 31.44 28.75 2kga n GLU 20 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2kga n THR 21 N 0.26 5.90 -1.96 2.62 -1.04 -1.26 -4.66 114.28 114.15 2kga n THR 21 Ca 0.00 -5.58 0.00 0.00 -2.04 0.00 0.00 64.05 56.43 2kga n THR 21 Cb 0.00 -1.69 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 2kga n THR 21 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2kga n ASP 22 N 0.40 0.00 -2.55 8.00 5.75 -1.26 -5.02 116.55 121.86 2kga n ASP 22 Ca 0.50 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 55.15 2kga n ASP 22 Cb 0.26 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.28 2kga n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kga n GLY 23 N 0.00 2.57 2.84 6.12 0.00 -1.26 -4.56 105.19 110.90 2kga n GLY 23 Ca 0.00 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 2kga n GLY 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kga n THR 24 N 3.22 3.11 -4.29 2.61 -1.04 -1.26 -5.04 114.28 111.58 2kga n THR 24 Ca 0.34 -5.29 -0.29 0.00 -2.04 0.00 0.00 64.05 56.77 2kga n THR 24 Cb 0.40 -2.21 -0.11 0.00 -1.82 0.00 0.00 70.33 66.60 2kga n THR 24 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2kga s ASP 25 N -1.39 4.04 -0.04 8.00 -4.77 -1.26 -4.84 116.67 116.41 2kga s ASP 25 Ca 0.32 -0.55 0.22 0.00 -3.30 0.00 0.00 52.55 49.24 2kga s ASP 25 Cb 0.03 -0.62 0.38 0.00 -1.09 0.00 0.00 42.92 41.62 2kga s ASP 25 CO -0.05 0.16 1.15 -0.11 0.70 0.00 0.00 175.17 177.02 2kga n LEU 26 N 0.59 0.73 -4.50 2.11 7.94 -1.26 -5.02 117.00 117.58 2kga n LEU 26 Ca -0.14 -2.17 -0.43 0.00 -1.11 0.00 0.00 56.01 52.16 2kga n LEU 26 Cb 0.53 0.07 -0.02 0.00 0.53 0.00 0.00 43.42 44.53 2kga n LEU 26 CO 0.31 0.75 1.31 -0.44 -1.11 0.00 0.00 177.39 178.21 2kga s SER 27 N -2.08 6.67 0.00 1.96 0.01 -1.26 -4.75 113.70 114.25 2kga s SER 27 Ca 0.28 -2.02 0.00 0.00 1.31 0.00 0.00 55.95 55.52 2kga s SER 27 Cb 0.33 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 64.08 2kga s SER 27 CO -0.13 -1.18 0.00 0.61 0.41 0.00 0.00 173.24 172.95 2kga n GLY 28 N 5.77 -0.70 3.74 3.44 0.00 -1.26 -5.11 105.19 111.07 2kga n GLY 28 Ca 0.31 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 2kga n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kga s ASP 29 N -4.00 7.30 0.00 1.61 1.01 -1.26 -4.86 116.67 116.47 2kga s ASP 29 Ca 0.00 1.55 0.00 0.00 0.71 0.00 0.00 52.55 54.81 2kga s ASP 29 Cb 0.00 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.42 2kga s ASP 29 CO 0.00 -0.02 0.00 2.22 0.21 0.00 0.00 175.17 177.58 2kga n PHE 30 N 2.87 0.00 -0.27 4.23 -1.74 -1.26 -4.88 117.46 116.41 2kga n PHE 30 Ca -0.01 0.00 0.18 0.00 -0.56 0.00 0.00 57.45 57.06 2kga n PHE 30 Cb 0.50 0.00 0.47 0.00 1.52 0.00 0.00 39.48 41.97 2kga n PHE 30 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 2kga h LEU 31 N 0.00 0.49 -2.04 5.98 5.85 -1.95 0.49 115.31 124.12 2kga h LEU 31 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2kga h LEU 31 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2kga h LEU 31 CO 0.00 0.19 0.00 -0.90 -0.34 0.00 0.00 178.44 177.39 2kga n ASP 32 N -4.56 3.12 -4.83 1.25 5.75 -1.26 -2.52 116.55 113.51 2kga n ASP 32 Ca 0.20 -1.98 -0.36 0.00 -0.01 0.00 0.00 54.79 52.64 2kga n ASP 32 Cb 0.68 -0.09 -0.06 0.00 -1.03 0.00 0.00 41.12 40.61 2kga n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2kga s LEU 33 N -1.81 4.35 0.09 -2.12 1.02 0.16 -5.02 118.68 115.35 2kga s LEU 33 Ca 0.32 1.22 -0.29 0.00 0.02 0.00 0.00 54.13 55.40 2kga s LEU 33 Cb 0.21 -3.37 -0.05 0.00 0.02 0.00 0.00 46.19 43.00 2kga s LEU 33 CO 0.31 0.09 0.92 -0.13 0.02 0.00 0.00 176.35 177.55 2kga s ARG 34 N -1.92 4.64 0.22 1.70 1.81 -1.26 -4.23 118.95 119.92 2kga s ARG 34 Ca 0.39 1.37 -0.08 0.00 -1.72 0.00 0.00 55.73 55.69 2kga s ARG 34 Cb -0.16 -3.38 0.36 0.00 -0.45 0.00 0.00 34.95 31.32 2kga s ARG 34 CO 0.20 0.20 1.71 0.74 -0.68 0.00 0.00 175.30 177.47 2kga h PHE 35 N 5.71 0.32 -0.18 -0.53 0.04 -1.87 -0.53 116.94 119.90 2kga h PHE 35 Ca -0.43 0.04 0.05 0.00 2.80 0.00 0.00 57.97 60.43 2kga h PHE 35 Cb 1.21 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 2kga h PHE 35 CO 0.65 0.00 0.14 1.05 -0.60 0.00 0.00 178.31 179.56 2kga h GLU 36 N 0.33 0.00 0.04 1.51 4.11 -1.85 -0.54 114.58 118.18 2kga h GLU 36 Ca 0.35 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.51 2kga h GLU 36 Cb 0.53 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2kga h GLU 36 CO -0.40 0.00 -1.49 0.22 0.07 0.00 0.00 179.01 177.41 2kga h ASP 37 N 0.00 0.14 -0.47 3.06 3.58 -1.49 -3.33 116.42 117.91 2kga h ASP 37 Ca 0.09 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.29 2kga h ASP 37 Cb 0.37 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 2kga h ASP 37 CO -0.00 1.18 0.05 2.30 -2.88 0.00 0.00 179.24 179.89 2kga n ILE 38 N -3.27 2.19 -2.78 2.25 -5.35 -0.61 -4.89 119.36 106.90 2kga n ILE 38 Ca -0.13 -1.11 -0.09 0.00 -0.27 0.00 0.00 62.75 61.15 2kga n ILE 38 Cb 1.02 -0.36 0.02 0.00 -1.74 0.00 0.00 39.64 38.59 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 0.37 0.35 3.38 3.28 0.00 -1.11 -5.02 105.19 106.43 2kga n GLY 39 Ca 0.24 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.00 3.08 0.49 1.61 1.51 -0.27 -5.05 117.35 115.73 2kga s TYR 40 Ca 0.18 -0.73 -0.05 0.00 -1.01 0.00 0.00 57.07 55.47 2kga s TYR 40 Cb -0.08 -2.21 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 2kga s TYR 40 CO 0.23 -0.47 0.80 -0.51 -1.11 0.00 0.00 175.55 174.48 2kga s ASP 41 N 1.55 6.18 0.32 2.29 1.11 -1.26 -4.26 116.67 122.59 2kga s ASP 41 Ca 0.05 0.89 0.07 0.00 0.18 0.00 0.00 52.55 53.75 2kga s ASP 41 Cb -0.16 -2.18 0.79 0.00 1.07 0.00 0.00 42.92 42.45 2kga s ASP 41 CO 0.02 -0.63 1.78 0.77 1.18 0.00 0.00 175.17 178.28 2kga h SER 42 N 0.18 0.74 0.54 0.27 4.64 -1.98 -0.90 113.55 117.05 2kga h SER 42 Ca -0.47 0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 2kga h SER 42 Cb 1.21 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2kga h SER 42 CO 0.61 0.25 -0.27 0.25 -0.87 0.00 0.00 176.83 176.80 2kga h LEU 43 N 0.71 -0.65 -1.51 5.97 5.85 -1.99 0.77 115.31 124.47 2kga h LEU 43 Ca 0.58 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.28 2kga h LEU 43 Cb 0.97 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 2kga h LEU 43 CO -0.37 -0.45 -0.12 0.00 -0.34 0.00 0.00 178.44 177.16 2kga h ALA 44 N -0.28 1.60 -0.42 1.25 0.00 -1.72 0.01 119.26 119.70 2kga h ALA 44 Ca -0.07 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 2kga h ALA 44 Cb 0.58 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2kga h ALA 44 CO 0.11 0.29 -0.32 1.25 0.00 0.00 0.00 179.25 180.58 2kga h LEU 45 N 0.16 1.01 -0.69 0.00 5.85 -0.92 -0.00 115.31 120.72 2kga h LEU 45 Ca 0.03 -0.44 -0.14 0.00 0.84 0.00 0.00 57.88 58.18 2kga h LEU 45 Cb 0.32 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2kga h LEU 45 CO 0.02 1.24 -0.50 0.00 -0.34 0.00 0.00 178.44 178.86 2kga h MET 46 N 0.79 0.40 -0.53 1.25 -0.00 0.02 -1.21 114.93 115.64 2kga h MET 46 Ca 0.08 -0.23 -0.04 0.00 -0.00 0.00 0.00 59.70 59.51 2kga h MET 46 Cb 0.92 0.02 -0.03 0.00 -0.00 0.00 0.00 31.60 32.51 2kga h MET 46 CO 0.09 0.81 0.17 0.93 -0.00 0.00 0.00 176.91 178.90 2kga h GLU 47 N 0.31 0.78 0.41 -0.10 5.08 -0.80 0.12 114.58 120.38 2kga h GLU 47 Ca 0.01 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2kga h GLU 47 Cb 0.99 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2kga h GLU 47 CO 0.09 0.67 -0.20 1.15 -1.00 0.00 0.00 179.01 179.72 2kga h THR 48 N 0.76 0.60 -0.68 1.13 2.02 -0.45 -1.52 112.91 114.77 2kga h THR 48 Ca 0.18 -0.15 0.09 0.00 0.77 0.00 0.00 66.41 67.30 2kga h THR 48 Cb 0.21 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.22 2kga h THR 48 CO -0.01 0.03 0.33 0.00 0.37 0.00 0.00 175.52 176.24 2kga h ALA 49 N -0.08 0.93 -0.42 6.16 0.00 -0.73 -0.61 119.26 124.51 2kga h ALA 49 Ca -0.06 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2kga h ALA 49 Cb 0.47 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2kga h ALA 49 CO 0.09 -0.06 0.21 0.00 0.00 0.00 0.00 179.25 179.49 2kga h ALA 50 N 1.42 0.52 -0.44 0.00 0.00 -0.66 -0.92 119.26 119.18 2kga h ALA 50 Ca 0.33 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 2kga h ALA 50 Cb 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2kga h ALA 50 CO -0.26 -0.14 0.07 -0.09 0.00 0.00 0.00 179.25 178.82 2kga h ARG 51 N 0.43 0.68 -0.13 0.00 2.43 -0.35 -1.24 114.38 116.20 2kga h ARG 51 Ca 0.18 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2kga h ARG 51 Cb 0.08 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2kga h ARG 51 CO -0.12 0.65 0.05 -0.07 -1.51 0.00 0.00 179.97 178.96 2kga h LEU 52 N 0.66 0.18 -0.35 3.80 3.38 -0.51 -0.80 115.31 121.67 2kga h LEU 52 Ca 0.14 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kga h LEU 52 Cb 0.30 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2kga h LEU 52 CO 0.00 0.30 0.20 -0.33 0.09 0.00 0.00 178.44 178.71 2kga h GLU 53 N 0.04 0.47 0.48 1.13 5.08 -0.85 0.04 114.58 120.97 2kga h GLU 53 Ca 0.04 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2kga h GLU 53 Cb 0.18 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2kga h GLU 53 CO -0.00 0.37 -0.23 0.66 -1.00 0.00 0.00 179.01 178.81 2kga h SER 54 N 0.45 -0.54 -0.31 1.42 4.64 -1.18 -1.91 113.55 116.12 2kga h SER 54 Ca 0.12 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.28 2kga h SER 54 Cb 0.02 0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 2kga h SER 54 CO -0.02 -0.18 -0.14 -0.09 -0.87 0.00 0.00 176.83 175.53 2kga h ARG 55 N -0.95 0.64 -0.10 4.77 2.43 -1.16 -3.21 114.38 116.80 2kga h ARG 55 Ca -0.07 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2kga h ARG 55 Cb 0.59 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2kga h ARG 55 CO 0.11 0.86 0.00 0.66 -1.51 0.00 0.00 179.97 180.09 2kga n TYR 56 N -4.39 0.11 -3.14 2.20 4.01 -0.00 -4.96 117.16 110.99 2kga n TYR 56 Ca -0.03 -0.06 -0.14 0.00 -0.16 0.00 0.00 57.90 57.52 2kga n TYR 56 Cb 0.37 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.47 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 1.31 -0.21 3.57 2.72 0.00 -0.82 -5.01 105.19 106.75 2kga n GLY 57 Ca 0.16 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.29 1.29 -0.15 1.61 -7.23 -0.78 -5.05 120.40 106.80 2kga s VAL 58 Ca 0.01 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.15 2kga s VAL 58 Cb -0.00 -2.64 0.05 0.00 0.56 0.00 0.00 36.38 34.35 2kga s VAL 58 CO 0.58 0.00 0.05 -0.44 -0.31 0.00 0.00 175.10 174.98 2kga s SER 59 N -3.64 2.31 -0.17 4.85 0.01 -1.26 -4.49 113.70 111.30 2kga s SER 59 Ca 0.28 -0.53 -0.18 0.00 1.31 0.00 0.00 55.95 56.83 2kga s SER 59 Cb 0.07 -0.41 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 2kga s SER 59 CO 0.14 -0.29 0.50 -0.63 0.41 0.00 0.00 173.24 173.36 2kga s ILE 60 N 2.00 5.14 0.27 1.44 1.01 -1.26 -5.05 121.20 124.75 2kga s ILE 60 Ca 0.02 0.94 -0.29 0.00 0.00 0.00 0.00 60.65 61.31 2kga s ILE 60 Cb -0.15 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 38.39 2kga s ILE 60 CO -0.07 0.23 1.31 -2.84 0.00 0.00 0.00 174.94 173.57 2kga s PRO 61 N 1.29 4.38 0.21 2.79 0.02 -1.26 -4.91 135.00 137.51 2kga s PRO 61 Ca 0.24 2.14 -0.09 0.00 0.02 0.00 0.00 61.00 63.31 2kga s PRO 61 Cb -0.15 -3.13 0.25 0.00 0.02 0.00 0.00 34.50 31.49 2kga s PRO 61 CO 0.10 -0.21 1.78 -0.44 -0.33 0.00 0.00 177.00 177.90 2kga h ASP 62 N 4.39 0.42 1.01 2.53 3.32 -1.99 0.40 116.42 126.49 2kga h ASP 62 Ca -0.47 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.55 2kga h ASP 62 Cb 1.22 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 2kga h ASP 62 CO 0.72 0.26 -0.38 -0.78 -1.72 0.00 0.00 179.24 177.34 2kga h ASP 63 N 0.57 0.00 0.37 6.45 3.58 -1.99 -2.70 116.42 122.69 2kga h ASP 63 Ca 0.30 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.46 2kga h ASP 63 Cb 0.26 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.33 2kga h ASP 63 CO -0.22 0.38 -1.25 0.58 -2.88 0.00 0.00 179.24 175.85 2kga h VAL 64 N 0.00 1.38 -0.65 2.25 2.07 -1.73 -3.29 116.25 116.29 2kga h VAL 64 Ca -0.00 -2.72 -0.00 0.00 0.82 0.00 0.00 66.70 64.79 2kga h VAL 64 Cb 0.99 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 33.54 2kga h VAL 64 CO 0.05 0.81 0.38 0.00 0.02 0.00 0.00 177.57 178.83 2kga h ALA 65 N 0.44 1.46 -0.02 1.67 0.00 -0.64 -2.45 119.26 119.73 2kga h ALA 65 Ca -0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kga h ALA 65 Cb 1.94 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2kga h ALA 65 CO 0.22 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.35 2kga n GLY 66 N -1.32 -0.62 1.01 0.00 0.00 -1.10 -3.35 105.19 99.81 2kga n GLY 66 Ca 0.06 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.54 2.36 -2.72 1.61 1.85 -0.92 -4.83 116.66 113.47 2kga n ARG 67 Ca 0.21 -2.01 -0.42 0.00 -1.00 0.00 0.00 57.85 54.63 2kga n ARG 67 Cb 0.19 -1.48 -0.03 0.00 -1.05 0.00 0.00 32.46 30.09 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 -1.83 4.17 -0.14 8.89 1.01 -1.21 -4.73 120.40 126.56 2kga s VAL 68 Ca 0.32 -0.59 0.18 0.00 0.00 0.00 0.00 61.98 61.90 2kga s VAL 68 Cb 0.21 -4.87 -0.15 0.00 0.00 0.00 0.00 36.38 31.57 2kga s VAL 68 CO 0.31 -1.70 0.73 -0.67 0.00 0.00 0.00 175.10 173.77 2kga n ASP 69 N 8.15 0.66 -4.11 3.32 2.03 -1.26 -4.92 116.55 120.41 2kga n ASP 69 Ca 0.15 0.28 -0.18 0.00 0.52 0.00 0.00 54.79 55.57 2kga n ASP 69 Cb 0.49 0.52 -0.13 0.00 -0.72 0.00 0.00 41.12 41.28 2kga n ASP 69 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2kga s THR 70 N -3.02 0.91 0.60 5.18 -4.23 -1.26 -2.69 115.64 111.13 2kga s THR 70 Ca -0.04 -1.02 0.31 0.00 -1.18 0.00 0.00 61.69 59.76 2kga s THR 70 Cb 0.09 -0.87 0.36 0.00 1.34 0.00 0.00 72.50 73.43 2kga s THR 70 CO 0.82 -0.13 2.23 -0.65 -0.54 0.00 0.00 174.62 176.35 2kga h PRO 71 N 4.77 0.00 -0.40 3.99 0.11 -1.73 -2.14 132.00 136.60 2kga h PRO 71 Ca -0.37 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.82 2kga h PRO 71 Cb 1.19 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 2kga h PRO 71 CO 0.43 0.00 -0.13 -0.09 -0.21 0.00 0.00 178.00 178.00 2kga h ARG 72 N 0.00 -0.04 -0.30 1.05 2.43 -1.82 0.18 114.38 115.88 2kga h ARG 72 Ca 0.02 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 2kga h ARG 72 Cb 0.12 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2kga h ARG 72 CO -0.00 -0.02 -0.15 0.93 -1.51 0.00 0.00 179.97 179.22 2kga h GLU 73 N -0.04 0.53 -0.11 0.20 5.08 -1.71 -0.19 114.58 118.34 2kga h GLU 73 Ca 0.20 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2kga h GLU 73 Cb 0.34 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2kga h GLU 73 CO -0.43 0.66 -0.08 1.25 -1.00 0.00 0.00 179.01 179.40 2kga h LEU 74 N 0.48 0.26 -0.60 1.33 7.12 -1.35 -2.56 115.31 119.99 2kga h LEU 74 Ca 0.09 -0.46 0.04 0.00 0.13 0.00 0.00 57.88 57.68 2kga h LEU 74 Cb 0.54 -0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 40.55 2kga h LEU 74 CO 0.03 0.66 0.34 0.25 -0.13 0.00 0.00 178.44 179.60 2kga h LEU 75 N -0.15 0.52 -0.68 2.25 5.85 -0.31 -1.62 115.31 121.17 2kga h LEU 75 Ca 0.02 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.86 2kga h LEU 75 Cb 0.58 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 2kga h LEU 75 CO 0.02 0.36 0.31 -0.78 -0.34 0.00 0.00 178.44 178.01 2kga h ASP 76 N 0.65 0.37 0.48 1.25 3.58 -1.00 0.25 116.42 122.00 2kga h ASP 76 Ca 0.26 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.75 2kga h ASP 76 Cb 0.10 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.17 2kga h ASP 76 CO -0.14 0.21 -0.23 0.25 -2.88 0.00 0.00 179.24 176.44 2kga h LEU 77 N 0.53 -0.55 0.13 2.28 5.85 -0.99 -1.44 115.31 121.12 2kga h LEU 77 Ca 0.34 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 2kga h LEU 77 Cb 0.40 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2kga h LEU 77 CO -0.29 -0.24 -0.06 0.40 -0.34 0.00 0.00 178.44 177.90 2kga h ILE 78 N -0.87 1.03 -0.68 4.05 1.08 -0.97 -0.25 117.51 120.90 2kga h ILE 78 Ca -0.07 -0.79 -0.04 0.00 -0.39 0.00 0.00 64.86 63.57 2kga h ILE 78 Cb 0.58 1.52 -0.03 0.00 -3.07 0.00 0.00 36.82 35.82 2kga h ILE 78 CO 0.11 0.18 0.27 -1.13 -0.69 0.00 0.00 178.15 176.89 2kga h ASN 79 N -0.56 0.92 -0.71 1.72 -0.73 -0.66 0.68 115.58 116.25 2kga h ASN 79 Ca -0.02 -0.13 -0.03 0.00 1.87 0.00 0.00 56.30 57.99 2kga h ASN 79 Cb 0.44 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.76 2kga h ASN 79 CO 0.03 0.83 0.32 1.23 -0.37 0.00 0.00 177.43 179.46 2kga h GLY 80 N 1.06 1.13 1.53 1.57 0.00 -1.16 0.84 103.07 108.04 2kga h GLY 80 Ca 0.23 -0.57 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 2kga h GLY 80 CO -0.02 0.54 -0.49 0.00 0.00 0.00 0.00 176.54 176.57 2kga h ALA 81 N 1.31 0.79 -0.36 3.60 0.00 -0.06 -2.08 119.26 122.47 2kga h ALA 81 Ca 0.25 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 2kga h ALA 81 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2kga h ALA 81 CO -0.03 0.67 -0.21 -0.07 0.00 0.00 0.00 179.25 179.61 2kga h LEU 82 N 0.40 0.70 -1.12 0.00 3.38 -0.33 -2.69 115.31 115.66 2kga h LEU 82 Ca 0.02 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2kga h LEU 82 Cb 1.01 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2kga h LEU 82 CO 0.09 0.90 0.19 0.00 0.09 0.00 0.00 178.44 179.71 2kga h ALA 83 N 1.15 1.30 0.00 1.53 0.00 -0.54 -1.98 119.26 120.72 2kga h ALA 83 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kga h ALA 83 Cb 0.69 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kga h ALA 83 CO 0.05 0.51 0.00 0.39 0.00 0.00 0.00 179.25 180.20 2kga n GLU 84 N -4.31 0.12 0.00 0.00 -0.58 -0.81 -1.17 120.64 113.89 2kga n GLU 84 Ca 0.04 0.38 0.14 0.00 -0.42 0.00 0.00 57.16 57.31 2kga n GLU 84 Cb 0.19 -1.74 0.61 0.00 -0.57 0.00 0.00 31.44 29.92 2kga n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kga n ALA 85 N -1.68 2.59 -0.56 0.62 0.00 -0.74 -5.10 120.51 115.64 2kga n ALA 85 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2kga n ALA 85 Cb 0.19 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2kga n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50