#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 1.02 -2.61 3.17 0.00 -1.26 -4.54 120.51 116.29 2kga n ALA 2 Ca 0.00 -0.74 -0.42 0.00 0.00 0.00 0.00 53.44 52.28 2kga n ALA 2 Cb 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 2kga n ALA 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kga s THR 3 N -2.51 4.16 0.14 0.00 -4.23 -1.26 -4.71 115.64 107.24 2kga s THR 3 Ca -0.28 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 2kga s THR 3 Cb 0.08 -4.65 0.00 0.00 1.34 0.00 0.00 72.50 69.27 2kga s THR 3 CO 0.67 -1.25 0.00 0.18 -0.54 0.00 0.00 174.62 173.68 2kga n LEU 4 N 8.05 -3.18 -4.66 4.79 4.32 -1.26 -4.91 117.00 120.15 2kga n LEU 4 Ca 0.06 1.09 -0.48 0.00 -0.02 0.00 0.00 56.01 56.66 2kga n LEU 4 Cb 0.48 -0.39 -0.05 0.00 -1.62 0.00 0.00 43.42 41.85 2kga n LEU 4 CO 0.68 -0.16 1.24 -0.11 -1.22 0.00 0.00 177.39 177.83 2kga n LEU 5 N -0.28 2.98 0.00 2.23 7.94 -1.26 -1.96 117.00 126.65 2kga n LEU 5 Ca 0.00 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.96 2kga n LEU 5 Cb 0.00 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 42.58 2kga n LEU 5 CO 0.00 -0.32 0.00 0.35 -1.11 0.00 0.00 177.39 176.31 2kga n THR 6 N 3.80 0.00 -0.05 1.96 -2.24 -1.26 -4.80 114.28 111.69 2kga n THR 6 Ca 0.19 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.87 2kga n THR 6 Cb 0.27 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.46 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 0.20 -0.46 4.28 2.02 -1.97 0.11 112.91 117.93 2kga h THR 7 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2kga h THR 7 Cb 0.00 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 2kga h THR 7 CO 0.00 0.00 0.14 -0.78 0.37 0.00 0.00 175.52 175.25 2kga h ASP 8 N -0.37 0.67 -0.32 4.18 3.58 -1.97 -0.90 116.42 121.30 2kga h ASP 8 Ca 0.12 -0.21 -0.07 0.00 0.42 0.00 0.00 57.03 57.29 2kga h ASP 8 Cb 0.57 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2kga h ASP 8 CO -0.45 0.70 -0.08 -0.78 -2.88 0.00 0.00 179.24 175.76 2kga h ASP 9 N 0.61 0.62 -0.62 2.28 1.82 -1.80 -2.14 116.42 117.18 2kga h ASP 9 Ca 0.15 -0.36 -0.09 0.00 -0.39 0.00 0.00 57.03 56.33 2kga h ASP 9 Cb 0.27 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.09 2kga h ASP 9 CO -0.00 0.84 0.04 0.25 -1.61 0.00 0.00 179.24 178.75 2kga h LEU 10 N 0.39 1.04 -0.42 2.28 5.85 -0.75 -2.50 115.31 121.20 2kga h LEU 10 Ca 0.08 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.59 2kga h LEU 10 Cb 0.57 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 2kga h LEU 10 CO 0.03 1.07 -0.08 -0.09 -0.34 0.00 0.00 178.44 179.04 2kga h ARG 11 N 0.98 0.03 -0.31 1.25 2.43 -0.92 0.37 114.38 118.21 2kga h ARG 11 Ca 0.18 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 2kga h ARG 11 Cb 0.52 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 2kga h ARG 11 CO 0.02 0.02 0.11 0.00 -1.51 0.00 0.00 179.97 178.61 2kga h ARG 12 N 0.03 0.23 -0.69 0.20 3.08 -1.04 0.15 114.38 116.34 2kga h ARG 12 Ca 0.21 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.19 2kga h ARG 12 Cb 0.31 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2kga h ARG 12 CO -0.41 0.15 0.21 0.00 -1.07 0.00 0.00 179.97 178.85 2kga h ALA 13 N 1.20 0.90 -0.03 0.04 0.00 -0.98 -1.50 119.26 118.88 2kga h ALA 13 Ca 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kga h ALA 13 Cb 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2kga h ALA 13 CO -0.14 0.58 -0.00 -0.07 0.00 0.00 0.00 179.25 179.62 2kga h LEU 14 N 1.01 0.05 -1.02 0.00 3.38 -0.56 -3.10 115.31 115.06 2kga h LEU 14 Ca 0.22 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2kga h LEU 14 Cb 0.31 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2kga h LEU 14 CO -0.01 0.36 0.00 1.62 0.09 0.00 0.00 178.44 180.50 2kga h VAL 15 N -0.27 0.00 -0.11 1.22 3.04 -0.51 -1.41 116.25 118.20 2kga h VAL 15 Ca 0.01 -0.20 -0.06 0.00 -1.01 0.00 0.00 66.70 65.44 2kga h VAL 15 Cb 0.34 0.91 -0.01 0.00 -2.01 0.00 0.00 31.29 30.51 2kga h VAL 15 CO 0.00 0.00 -0.21 -0.33 -1.01 0.00 0.00 177.57 176.03 2kga h GLU 16 N 0.00 0.19 0.00 4.17 5.08 -1.19 -3.28 114.58 119.55 2kga h GLU 16 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2kga h GLU 16 Cb 0.28 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2kga h GLU 16 CO 0.00 0.40 -0.13 0.77 -1.00 0.00 0.00 179.01 179.05 2kga h SER 17 N 0.18 0.00 -1.70 1.42 0.02 -1.39 -3.42 113.55 108.65 2kga h SER 17 Ca 0.03 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.41 2kga h SER 17 Cb 0.47 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.92 2kga h SER 17 CO 0.03 0.43 1.28 0.00 -1.14 0.00 0.00 176.83 177.43 2kga s ALA 18 N -2.72 2.75 -0.28 3.77 0.00 -0.95 -4.69 121.76 119.63 2kga s ALA 18 Ca -0.04 -1.88 0.22 0.00 0.00 0.00 0.00 51.96 50.27 2kga s ALA 18 Cb 0.01 -4.39 -0.22 0.00 0.00 0.00 0.00 23.12 18.51 2kga s ALA 18 CO 0.06 -3.45 0.70 0.41 0.00 0.00 0.00 175.76 173.47 2kga n GLY 19 N 6.19 -1.10 3.88 0.00 0.00 -1.24 -4.48 105.19 108.44 2kga n GLY 19 Ca 0.19 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.38 3.67 -0.79 1.61 1.03 -1.26 -5.00 118.70 114.58 2kga s GLU 20 Ca -0.03 0.02 -0.03 0.00 0.03 0.00 0.00 54.97 54.96 2kga s GLU 20 Cb 0.14 -2.95 0.22 0.00 -0.80 0.00 0.00 34.13 30.74 2kga s GLU 20 CO 0.87 0.54 2.30 0.25 -1.33 0.00 0.00 175.26 177.89 2kga n THR 21 N 0.60 4.05 -2.94 1.83 -2.24 -1.26 -4.87 114.28 109.45 2kga n THR 21 Ca -0.06 -4.09 -0.44 0.00 -2.27 0.00 0.00 64.05 57.19 2kga n THR 21 Cb 0.52 -1.50 -0.03 0.00 -2.10 0.00 0.00 70.33 67.22 2kga n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2kga s ASP 22 N -0.45 6.45 0.00 3.42 1.01 -1.26 -3.58 116.67 122.26 2kga s ASP 22 Ca 0.53 -1.69 0.00 0.00 0.71 0.00 0.00 52.55 52.10 2kga s ASP 22 Cb 0.36 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.90 2kga s ASP 22 CO -0.27 -1.16 0.00 0.61 0.21 0.00 0.00 175.17 174.55 2kga n GLY 23 N 5.37 4.12 0.00 0.21 0.00 -1.26 -3.60 105.19 110.03 2kga n GLY 23 Ca 0.12 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 -3.14 2.61 5.66 -1.23 -4.75 114.28 113.42 2kga n THR 24 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 2kga n THR 24 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 2kga n THR 24 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kga s ASP 25 N -2.72 6.27 -0.82 1.09 2.15 -1.26 -4.50 116.67 116.88 2kga s ASP 25 Ca 0.00 -0.62 -0.25 0.00 0.43 0.00 0.00 52.55 52.11 2kga s ASP 25 Cb 0.00 -2.30 -0.01 0.00 -0.30 0.00 0.00 42.92 40.31 2kga s ASP 25 CO 0.00 -0.82 1.72 -0.22 -0.17 0.00 0.00 175.17 175.67 2kga s LEU 26 N 2.71 3.27 -0.30 -1.34 1.98 -1.26 -4.81 118.68 118.94 2kga s LEU 26 Ca 0.19 -0.51 0.01 0.00 -2.89 0.00 0.00 54.13 50.92 2kga s LEU 26 Cb -0.16 -2.55 0.19 0.00 0.66 0.00 0.00 46.19 44.33 2kga s LEU 26 CO 0.15 -2.25 0.65 -0.55 -1.89 0.00 0.00 176.35 172.46 2kga s SER 27 N 6.75 -1.40 0.00 3.68 0.15 -1.26 -4.88 113.70 116.74 2kga s SER 27 Ca 0.59 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.72 2kga s SER 27 Cb -0.07 2.01 0.00 0.00 -1.71 0.00 0.00 66.02 66.25 2kga s SER 27 CO 0.06 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2kga n GLY 28 N 5.41 1.59 3.58 9.45 0.00 -1.26 -4.82 105.19 119.14 2kga n GLY 28 Ca 0.02 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 6.54 0.00 1.61 1.11 -1.26 -4.61 116.67 120.07 2kga s ASP 29 Ca 0.00 0.29 0.00 0.00 0.18 0.00 0.00 52.55 53.02 2kga s ASP 29 Cb 0.00 -2.41 0.00 0.00 1.07 0.00 0.00 42.92 41.58 2kga s ASP 29 CO 0.00 -0.83 0.00 2.22 1.18 0.00 0.00 175.17 177.74 2kga n PHE 30 N 6.63 0.00 -0.33 4.23 1.16 -1.26 -4.81 117.46 123.08 2kga n PHE 30 Ca 0.04 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.74 2kga n PHE 30 Cb 0.48 0.00 0.30 0.00 -1.61 0.00 0.00 39.48 38.65 2kga n PHE 30 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 2kga h LEU 31 N 0.00 0.64 -0.13 5.98 3.38 -1.94 -0.77 115.31 122.47 2kga h LEU 31 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2kga h LEU 31 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2kga h LEU 31 CO 0.00 0.21 -0.67 -0.67 0.09 0.00 0.00 178.44 177.39 2kga n ASP 32 N -4.85 0.87 -4.80 -0.43 2.03 -1.26 -2.55 116.55 105.57 2kga n ASP 32 Ca 0.22 -0.71 -0.39 0.00 0.52 0.00 0.00 54.79 54.43 2kga n ASP 32 Cb 0.56 0.56 -0.06 0.00 -0.72 0.00 0.00 41.12 41.45 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 -2.91 4.52 0.18 -2.67 1.43 -0.29 -5.02 118.68 113.92 2kga s LEU 33 Ca 0.12 1.28 -0.30 0.00 -1.03 0.00 0.00 54.13 54.19 2kga s LEU 33 Cb 0.17 -2.93 -0.08 0.00 0.03 0.00 0.00 46.19 43.39 2kga s LEU 33 CO 0.74 0.25 1.11 -0.13 0.23 0.00 0.00 176.35 178.55 2kga s ARG 34 N -0.99 4.58 0.22 1.70 1.81 -1.26 -4.21 118.95 120.79 2kga s ARG 34 Ca 0.30 1.74 -0.11 0.00 -1.72 0.00 0.00 55.73 55.94 2kga s ARG 34 Cb -0.20 -3.27 0.30 0.00 -0.45 0.00 0.00 34.95 31.34 2kga s ARG 34 CO 0.19 0.06 1.65 0.74 -0.68 0.00 0.00 175.30 177.26 2kga h PHE 35 N 5.09 -0.12 -0.57 -0.53 0.04 -1.75 -0.94 116.94 118.17 2kga h PHE 35 Ca -0.44 0.05 0.12 0.00 2.80 0.00 0.00 57.97 60.49 2kga h PHE 35 Cb 1.21 0.15 -0.03 0.00 2.20 0.00 0.00 35.95 39.48 2kga h PHE 35 CO 0.62 -0.21 0.39 1.05 -0.60 0.00 0.00 178.31 179.57 2kga h GLU 36 N 0.08 0.25 0.00 1.51 4.11 -1.84 0.18 114.58 118.87 2kga h GLU 36 Ca 0.33 -0.01 -0.23 0.00 0.07 0.00 0.00 59.36 59.52 2kga h GLU 36 Cb 0.54 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 2kga h GLU 36 CO -0.58 0.16 -1.32 -0.44 0.07 0.00 0.00 179.01 176.90 2kga h ASP 37 N 0.26 0.00 -0.48 3.06 3.32 -1.53 -3.32 116.42 117.72 2kga h ASP 37 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2kga h ASP 37 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 2kga h ASP 37 CO -0.06 0.87 0.00 2.30 -1.72 0.00 0.00 179.24 180.64 2kga n ILE 38 N -3.13 2.06 -0.85 0.35 -5.35 -0.68 -4.64 119.36 107.12 2kga n ILE 38 Ca -0.09 -1.09 0.00 0.00 -0.27 0.00 0.00 62.75 61.30 2kga n ILE 38 Cb 0.95 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.62 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 0.63 0.57 3.36 3.28 0.00 -1.02 -4.54 105.19 107.47 2kga n GLY 39 Ca 0.22 -0.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 3.16 0.61 1.61 1.51 0.54 -4.98 117.35 117.80 2kga s TYR 40 Ca 0.00 -1.20 -0.06 0.00 -1.01 0.00 0.00 57.07 54.80 2kga s TYR 40 Cb 0.00 -3.96 0.02 0.00 -0.11 0.00 0.00 41.96 37.90 2kga s TYR 40 CO 0.00 -1.21 0.92 0.16 -1.11 0.00 0.00 175.55 174.31 2kga s ASP 41 N 3.44 5.47 0.46 2.29 -4.77 -1.26 -3.59 116.67 118.70 2kga s ASP 41 Ca 0.12 0.67 0.21 0.00 -3.30 0.00 0.00 52.55 50.25 2kga s ASP 41 Cb -0.22 -1.61 1.20 0.00 -1.09 0.00 0.00 42.92 41.20 2kga s ASP 41 CO 0.02 -1.15 1.90 0.77 0.70 0.00 0.00 175.17 177.42 2kga h SER 42 N -0.24 0.26 0.15 2.11 4.64 -1.97 0.64 113.55 119.15 2kga h SER 42 Ca -0.45 0.02 -0.29 0.00 -0.47 0.00 0.00 61.79 60.60 2kga h SER 42 Cb 1.27 -0.03 0.03 0.00 -0.31 0.00 0.00 62.40 63.36 2kga h SER 42 CO 0.60 0.12 -1.24 0.25 -0.87 0.00 0.00 176.83 175.69 2kga h LEU 43 N 0.27 0.83 -1.45 5.97 6.46 -1.99 0.11 115.31 125.51 2kga h LEU 43 Ca 0.40 -0.86 -0.06 0.00 -0.12 0.00 0.00 57.88 57.24 2kga h LEU 43 Cb 1.16 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 2kga h LEU 43 CO -0.10 1.61 -0.28 0.00 -0.62 0.00 0.00 178.44 179.05 2kga h ALA 44 N 0.23 1.42 0.05 1.25 0.00 -1.73 -2.55 119.26 117.93 2kga h ALA 44 Ca -0.20 -0.25 -0.28 0.00 0.00 0.00 0.00 54.91 54.18 2kga h ALA 44 Cb 1.94 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.71 2kga h ALA 44 CO 0.24 0.35 -1.13 1.25 0.00 0.00 0.00 179.25 179.96 2kga h LEU 45 N 0.00 0.88 -1.52 0.00 5.85 -0.79 -3.24 115.31 116.48 2kga h LEU 45 Ca -0.00 -0.75 -0.01 0.00 0.84 0.00 0.00 57.88 57.96 2kga h LEU 45 Cb 0.53 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2kga h LEU 45 CO 0.04 1.55 0.22 0.00 -0.34 0.00 0.00 178.44 179.91 2kga h MET 46 N 0.33 0.54 0.14 1.25 -0.00 -0.36 0.96 114.93 117.78 2kga h MET 46 Ca -0.15 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.70 59.49 2kga h MET 46 Cb 1.79 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 33.28 2kga h MET 46 CO 0.22 0.40 -0.07 0.93 -0.00 0.00 0.00 176.91 178.39 2kga h GLU 47 N 0.55 -0.18 -0.71 -0.10 5.08 -1.58 0.57 114.58 118.22 2kga h GLU 47 Ca 0.14 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2kga h GLU 47 Cb 0.01 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2kga h GLU 47 CO -0.02 -0.06 0.35 1.15 -1.00 0.00 0.00 179.01 179.43 2kga h THR 48 N -0.26 1.23 0.32 1.13 2.02 -1.37 0.54 112.91 116.52 2kga h THR 48 Ca -0.02 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 2kga h THR 48 Cb 0.20 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2kga h THR 48 CO 0.03 0.27 -0.30 0.00 0.37 0.00 0.00 175.52 175.89 2kga h ALA 49 N 1.17 -0.64 -0.65 6.16 0.00 -0.55 0.10 119.26 124.85 2kga h ALA 49 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2kga h ALA 49 Cb 0.11 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2kga h ALA 49 CO -0.03 -0.89 0.36 0.00 0.00 0.00 0.00 179.25 178.69 2kga h ALA 50 N -0.08 1.42 -0.30 0.00 0.00 -0.71 0.13 119.26 119.71 2kga h ALA 50 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kga h ALA 50 Cb 0.58 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2kga h ALA 50 CO -0.04 0.48 0.20 -0.09 0.00 0.00 0.00 179.25 179.80 2kga h ARG 51 N 0.90 0.39 -0.36 0.00 2.43 -0.54 -0.50 114.38 116.70 2kga h ARG 51 Ca 0.23 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.22 2kga h ARG 51 Cb 0.01 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2kga h ARG 51 CO -0.04 0.26 -0.40 -0.07 -1.51 0.00 0.00 179.97 178.21 2kga h LEU 52 N 0.40 0.94 0.52 3.80 3.38 -0.33 -2.59 115.31 121.43 2kga h LEU 52 Ca 0.11 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2kga h LEU 52 Cb -0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2kga h LEU 52 CO -0.02 1.22 -0.43 -0.33 0.09 0.00 0.00 178.44 178.96 2kga h GLU 53 N 0.72 -0.90 -0.47 1.13 5.08 -0.37 0.49 114.58 120.26 2kga h GLU 53 Ca 0.06 0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2kga h GLU 53 Cb 0.98 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2kga h GLU 53 CO 0.09 -0.60 0.07 0.77 -1.00 0.00 0.00 179.01 178.35 2kga h SER 54 N -0.93 0.69 -0.11 1.42 0.02 -1.18 0.39 113.55 113.86 2kga h SER 54 Ca -0.07 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 2kga h SER 54 Cb 0.78 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 2kga h SER 54 CO -0.01 0.71 -0.03 -0.09 -1.14 0.00 0.00 176.83 176.28 2kga h ARG 55 N 0.71 0.21 -0.00 3.45 2.43 -1.36 -3.24 114.38 116.57 2kga h ARG 55 Ca 0.15 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2kga h ARG 55 Cb 0.33 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2kga h ARG 55 CO 0.01 0.52 -0.40 0.66 -1.51 0.00 0.00 179.97 179.25 2kga n TYR 56 N -4.75 0.00 -1.02 2.20 4.01 0.15 -4.93 117.16 112.82 2kga n TYR 56 Ca -0.06 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.67 2kga n TYR 56 Cb 0.25 -0.17 -0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 1.42 0.46 4.00 2.72 0.00 0.12 -4.65 105.19 109.26 2kga n GLY 57 Ca 0.09 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.01 2.60 -0.13 1.61 -7.23 -0.28 -3.81 120.40 111.15 2kga s VAL 58 Ca 0.00 -0.81 -0.02 0.00 -1.81 0.00 0.00 61.98 59.34 2kga s VAL 58 Cb 0.00 -2.79 0.04 0.00 0.56 0.00 0.00 36.38 34.19 2kga s VAL 58 CO 0.00 0.00 0.01 -0.44 -0.31 0.00 0.00 175.10 174.36 2kga s SER 59 N -4.49 2.21 -0.38 4.85 0.01 0.70 -4.46 113.70 112.14 2kga s SER 59 Ca 0.59 -0.42 -0.15 0.00 1.31 0.00 0.00 55.95 57.27 2kga s SER 59 Cb -0.09 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.62 2kga s SER 59 CO 0.38 -0.24 0.35 -0.63 0.41 0.00 0.00 173.24 173.50 2kga s ILE 60 N 1.91 5.19 0.68 1.44 1.01 -1.26 -5.05 121.20 125.11 2kga s ILE 60 Ca 0.02 -0.27 -0.14 0.00 0.00 0.00 0.00 60.65 60.27 2kga s ILE 60 Cb -0.14 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 38.45 2kga s ILE 60 CO -0.07 -0.22 1.09 -2.84 0.00 0.00 0.00 174.94 172.91 2kga s PRO 61 N 1.92 2.76 0.27 2.79 0.02 -1.26 -4.88 135.00 136.62 2kga s PRO 61 Ca 0.09 1.27 -0.02 0.00 0.02 0.00 0.00 61.00 62.36 2kga s PRO 61 Cb -0.17 -1.95 0.42 0.00 0.02 0.00 0.00 34.50 32.81 2kga s PRO 61 CO 0.12 -1.26 1.87 -0.44 -0.33 0.00 0.00 177.00 176.96 2kga h ASP 62 N -0.25 1.00 0.25 2.53 5.19 -1.99 -1.37 116.42 121.79 2kga h ASP 62 Ca -0.46 0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 55.86 2kga h ASP 62 Cb 1.23 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 2kga h ASP 62 CO 0.54 0.62 -0.44 0.44 -3.12 0.00 0.00 179.24 177.29 2kga h ASP 63 N 1.13 0.25 0.00 6.45 3.32 -1.98 -0.83 116.42 124.77 2kga h ASP 63 Ca 0.44 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 2kga h ASP 63 Cb 0.22 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2kga h ASP 63 CO -0.19 0.66 -0.00 0.58 -1.72 0.00 0.00 179.24 178.57 2kga h VAL 64 N 0.20 1.64 -0.08 -1.35 2.07 -1.73 -2.57 116.25 114.42 2kga h VAL 64 Ca 0.01 -1.94 -0.00 0.00 0.82 0.00 0.00 66.70 65.59 2kga h VAL 64 Cb 0.85 2.95 -0.00 0.00 -1.52 0.00 0.00 31.29 33.57 2kga h VAL 64 CO 0.07 0.50 0.03 0.00 0.02 0.00 0.00 177.57 178.18 2kga h ALA 65 N 0.14 1.90 0.00 1.67 0.00 -1.19 -1.23 119.26 120.55 2kga h ALA 65 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kga h ALA 65 Cb 0.82 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2kga h ALA 65 CO 0.00 0.08 -0.25 0.78 0.00 0.00 0.00 179.25 179.87 2kga h GLY 66 N 0.18 0.00 0.44 0.00 0.00 -1.18 -3.32 103.07 99.19 2kga h GLY 66 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2kga h GLY 66 CO -0.00 0.00 -1.05 -0.96 0.00 0.00 0.00 176.54 174.53 2kga n ARG 67 N -3.00 0.22 -2.73 4.80 1.85 -0.52 -4.82 116.66 112.47 2kga n ARG 67 Ca 0.03 -0.02 -0.43 0.00 -1.00 0.00 0.00 57.85 56.43 2kga n ARG 67 Cb 0.54 -1.55 -0.03 0.00 -1.05 0.00 0.00 32.46 30.36 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 -3.16 4.43 -0.12 8.89 -7.23 -0.88 -4.87 120.40 117.46 2kga s VAL 68 Ca 0.04 1.17 0.16 0.00 -1.81 0.00 0.00 61.98 61.55 2kga s VAL 68 Cb 0.15 -4.45 -0.13 0.00 0.56 0.00 0.00 36.38 32.51 2kga s VAL 68 CO 0.82 -0.74 0.86 0.44 -0.31 0.00 0.00 175.10 176.16 2kga h ASP 69 N 8.79 0.00 -4.36 4.85 3.32 -1.90 -3.47 116.42 123.65 2kga h ASP 69 Ca -0.23 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.46 2kga h ASP 69 Cb 1.07 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.43 2kga h ASP 69 CO 1.04 0.59 -0.75 0.42 -1.72 0.00 0.00 179.24 178.82 2kga s THR 70 N -2.92 1.03 0.50 0.35 -4.23 -1.26 -2.31 115.64 106.81 2kga s THR 70 Ca -0.03 -1.54 0.19 0.00 -1.18 0.00 0.00 61.69 59.14 2kga s THR 70 Cb 0.09 -1.28 0.34 0.00 1.34 0.00 0.00 72.50 72.99 2kga s THR 70 CO 0.81 -0.44 2.04 -0.65 -0.54 0.00 0.00 174.62 175.83 2kga h PRO 71 N 3.78 0.11 -0.54 3.99 0.11 -1.73 -1.60 132.00 136.13 2kga h PRO 71 Ca -0.38 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.81 2kga h PRO 71 Cb 1.19 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 2kga h PRO 71 CO 0.49 0.07 0.11 -0.09 -0.21 0.00 0.00 178.00 178.37 2kga h ARG 72 N 0.11 0.24 -0.54 1.05 2.43 -1.79 0.21 114.38 116.09 2kga h ARG 72 Ca 0.18 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 2kga h ARG 72 Cb 0.59 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2kga h ARG 72 CO -0.02 0.16 -0.10 0.93 -1.51 0.00 0.00 179.97 179.43 2kga h GLU 73 N 0.24 1.01 -0.48 0.20 4.39 -1.58 -1.43 114.58 116.95 2kga h GLU 73 Ca 0.27 -0.36 -0.11 0.00 0.34 0.00 0.00 59.36 59.49 2kga h GLU 73 Cb 0.38 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2kga h GLU 73 CO -0.36 1.05 -0.15 1.25 -1.16 0.00 0.00 179.01 179.64 2kga h LEU 74 N 0.90 0.92 -0.89 1.33 7.12 -1.24 -2.56 115.31 120.90 2kga h LEU 74 Ca 0.14 -0.32 0.07 0.00 0.13 0.00 0.00 57.88 57.91 2kga h LEU 74 Cb 0.66 -0.25 -0.06 0.00 -0.53 0.00 0.00 40.66 40.47 2kga h LEU 74 CO 0.05 1.07 0.56 0.25 -0.13 0.00 0.00 178.44 180.23 2kga h LEU 75 N 0.81 0.87 -0.45 2.25 5.85 -0.10 -1.03 115.31 123.51 2kga h LEU 75 Ca 0.12 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.93 2kga h LEU 75 Cb 0.70 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 2kga h LEU 75 CO 0.05 0.55 0.10 0.44 -0.34 0.00 0.00 178.44 179.24 2kga h ASP 76 N 1.00 0.03 -0.29 1.25 3.32 -0.87 0.11 116.42 120.97 2kga h ASP 76 Ca 0.40 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.50 2kga h ASP 76 Cb 0.20 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2kga h ASP 76 CO -0.18 0.05 0.11 0.25 -1.72 0.00 0.00 179.24 177.74 2kga h LEU 77 N 0.24 0.41 -0.24 1.55 7.12 -1.10 -0.67 115.31 122.63 2kga h LEU 77 Ca 0.22 -0.18 -0.02 0.00 0.13 0.00 0.00 57.88 58.03 2kga h LEU 77 Cb 0.28 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.29 2kga h LEU 77 CO -0.28 0.48 0.05 0.40 -0.13 0.00 0.00 178.44 178.96 2kga h ILE 78 N 0.32 1.22 -0.91 4.05 1.08 -0.78 0.28 117.51 122.77 2kga h ILE 78 Ca 0.10 -0.71 -0.01 0.00 -0.39 0.00 0.00 64.86 63.85 2kga h ILE 78 Cb 0.20 1.23 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 2kga h ILE 78 CO -0.01 0.23 0.53 0.78 -0.69 0.00 0.00 178.15 178.99 2kga h ASN 79 N 0.21 1.11 -0.09 1.72 -0.26 -0.70 -0.19 115.58 117.38 2kga h ASN 79 Ca 0.07 -0.08 -0.17 0.00 -0.56 0.00 0.00 56.30 55.56 2kga h ASN 79 Cb 0.29 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.27 2kga h ASN 79 CO 0.00 0.86 -0.56 1.23 -1.06 0.00 0.00 177.43 177.91 2kga h GLY 80 N 1.27 0.75 2.00 2.83 0.00 -0.81 -3.05 103.07 106.06 2kga h GLY 80 Ca 0.32 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 2kga h GLY 80 CO -0.06 0.79 -0.05 0.00 0.00 0.00 0.00 176.54 177.23 2kga h ALA 81 N 0.85 1.00 0.00 3.60 0.00 0.12 -2.55 119.26 122.28 2kga h ALA 81 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kga h ALA 81 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2kga h ALA 81 CO 0.11 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.70 2kga n LEU 82 N -3.15 0.04 0.07 0.00 4.77 -0.13 -0.29 117.00 118.30 2kga n LEU 82 Ca 0.01 0.51 -0.13 0.00 -0.03 0.00 0.00 56.01 56.37 2kga n LEU 82 Cb 0.35 -0.50 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 2kga n LEU 82 CO 0.29 -0.14 0.78 0.00 -1.33 0.00 0.00 177.39 176.99 2kga h ALA 83 N 2.73 -0.11 0.00 -1.18 0.00 -1.55 -3.08 119.26 116.06 2kga h ALA 83 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2kga h ALA 83 Cb 0.38 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2kga h ALA 83 CO 0.00 -0.50 -1.33 -1.91 0.00 0.00 0.00 179.25 175.52 2kga n GLU 84 N -5.08 0.62 -2.86 0.00 4.07 -1.20 -4.96 120.64 111.23 2kga n GLU 84 Ca -0.08 0.14 -0.10 0.00 -0.06 0.00 0.00 57.16 57.06 2kga n GLU 84 Cb 0.12 -1.78 0.04 0.00 -0.06 0.00 0.00 31.44 29.76 2kga n GLU 84 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kga n ALA 85 N -2.31 -0.89 -1.48 4.31 0.00 0.60 -5.11 120.51 115.64 2kga n ALA 85 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2kga n ALA 85 Cb 0.71 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 18.04 2kga n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50