#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 2.54 -0.36 -5.12 0.00 -1.26 -4.86 121.76 112.70 2kga s ALA 2 Ca 0.00 -2.34 -0.04 0.00 0.00 0.00 0.00 51.96 49.59 2kga s ALA 2 Cb 0.00 -4.61 0.07 0.00 0.00 0.00 0.00 23.12 18.58 2kga s ALA 2 CO 0.00 -4.08 0.12 0.99 0.00 0.00 0.00 175.76 172.79 2kga s THR 3 N 6.96 3.38 0.04 0.00 2.01 -1.26 -4.84 115.64 121.93 2kga s THR 3 Ca 0.58 -1.58 0.00 0.00 0.31 0.00 0.00 61.69 60.99 2kga s THR 3 Cb 0.00 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.42 2kga s THR 3 CO 0.03 -0.38 0.00 0.18 -0.69 0.00 0.00 174.62 173.76 2kga n LEU 4 N 4.68 -2.76 -4.72 4.42 4.77 -1.26 -4.96 117.00 117.17 2kga n LEU 4 Ca -0.09 0.61 -0.42 0.00 -0.03 0.00 0.00 56.01 56.08 2kga n LEU 4 Cb 0.43 -1.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.27 2kga n LEU 4 CO 0.31 -0.30 1.08 -0.22 -1.33 0.00 0.00 177.39 176.93 2kga s LEU 5 N -0.22 4.37 0.00 2.23 0.20 -1.26 -5.02 118.68 118.99 2kga s LEU 5 Ca 0.00 2.39 0.09 0.00 0.69 0.00 0.00 54.13 57.29 2kga s LEU 5 Cb 0.00 -3.59 0.09 0.00 -0.43 0.00 0.00 46.19 42.26 2kga s LEU 5 CO 0.00 -0.67 0.72 0.35 -0.29 0.00 0.00 176.35 176.46 2kga n THR 6 N 3.78 0.00 -0.10 3.68 -2.24 -1.26 -4.94 114.28 113.20 2kga n THR 6 Ca 0.11 -1.96 -0.05 0.00 -2.27 0.00 0.00 64.05 59.88 2kga n THR 6 Cb 0.42 -0.43 0.01 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.20 0.68 -0.46 4.28 2.02 -1.99 -1.13 112.91 116.51 2kga h THR 7 Ca -0.28 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 66.94 2kga h THR 7 Cb 1.24 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 68.24 2kga h THR 7 CO 0.41 0.01 0.18 0.44 0.37 0.00 0.00 175.52 176.93 2kga h ASP 8 N 0.04 0.22 -0.39 4.18 3.32 -1.95 0.21 116.42 122.04 2kga h ASP 8 Ca 0.17 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 2kga h ASP 8 Cb 0.26 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2kga h ASP 8 CO -0.34 0.16 -0.09 0.44 -1.72 0.00 0.00 179.24 177.69 2kga h ASP 9 N 0.37 0.81 -0.11 6.45 3.32 -1.80 0.10 116.42 125.55 2kga h ASP 9 Ca 0.21 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 2kga h ASP 9 Cb 0.18 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2kga h ASP 9 CO -0.20 0.93 -0.02 0.25 -1.72 0.00 0.00 179.24 178.48 2kga h LEU 10 N 0.75 0.21 -0.60 1.55 5.85 -0.74 -2.28 115.31 120.05 2kga h LEU 10 Ca 0.13 -0.35 0.12 0.00 0.84 0.00 0.00 57.88 58.61 2kga h LEU 10 Cb 0.58 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.46 2kga h LEU 10 CO 0.04 0.51 0.05 -0.09 -0.34 0.00 0.00 178.44 178.61 2kga h ARG 11 N -0.10 0.16 -0.41 1.25 2.43 -0.17 -0.62 114.38 116.93 2kga h ARG 11 Ca 0.03 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2kga h ARG 11 Cb 0.42 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2kga h ARG 11 CO 0.01 0.11 0.21 0.00 -1.51 0.00 0.00 179.97 178.79 2kga h ARG 12 N 0.17 0.41 -0.51 0.20 3.08 -0.88 0.72 114.38 117.57 2kga h ARG 12 Ca 0.31 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 2kga h ARG 12 Cb 0.49 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2kga h ARG 12 CO -0.47 0.27 0.26 0.00 -1.07 0.00 0.00 179.97 178.97 2kga h ALA 13 N 1.21 0.66 -0.07 0.04 0.00 -0.62 0.91 119.26 121.39 2kga h ALA 13 Ca 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2kga h ALA 13 Cb 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2kga h ALA 13 CO -0.11 0.21 0.02 -0.07 0.00 0.00 0.00 179.25 179.29 2kga h LEU 14 N 0.68 0.10 -1.18 0.00 -0.00 -0.90 -1.37 115.31 112.65 2kga h LEU 14 Ca 0.18 -0.23 -0.08 0.00 -0.00 0.00 0.00 57.88 57.74 2kga h LEU 14 Cb 0.09 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 2kga h LEU 14 CO -0.02 0.31 -0.37 1.62 -0.00 0.00 0.00 178.44 179.97 2kga h VAL 15 N -0.11 1.28 -0.02 1.22 3.04 -0.57 -2.30 116.25 118.78 2kga h VAL 15 Ca 0.02 -1.33 -0.21 0.00 -1.01 0.00 0.00 66.70 64.17 2kga h VAL 15 Cb 0.24 1.67 0.02 0.00 -2.01 0.00 0.00 31.29 31.21 2kga h VAL 15 CO 0.00 0.38 -0.82 -0.33 -1.01 0.00 0.00 177.57 175.79 2kga h GLU 16 N 0.06 0.60 0.00 4.17 5.08 -0.78 -3.28 114.58 120.42 2kga h GLU 16 Ca 0.00 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 2kga h GLU 16 Cb 0.69 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2kga h GLU 16 CO 0.05 1.22 0.00 0.77 -1.00 0.00 0.00 179.01 180.05 2kga h SER 17 N 0.22 0.00 -3.03 1.42 0.02 -1.16 -3.41 113.55 107.61 2kga h SER 17 Ca -0.10 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.28 2kga h SER 17 Cb 1.49 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.98 2kga h SER 17 CO 0.16 0.00 0.88 0.00 -1.14 0.00 0.00 176.83 176.73 2kga s ALA 18 N -3.25 3.62 -0.31 3.77 0.00 -0.87 -4.66 121.76 120.06 2kga s ALA 18 Ca 0.07 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.34 2kga s ALA 18 Cb 0.07 -3.63 0.41 0.00 0.00 0.00 0.00 23.12 19.98 2kga s ALA 18 CO 0.62 -1.25 1.51 0.41 0.00 0.00 0.00 175.76 177.05 2kga n GLY 19 N 3.64 3.34 3.49 0.00 0.00 -1.26 -4.82 105.19 109.57 2kga n GLY 19 Ca 0.13 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 2kga n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kga s GLU 20 N -1.97 3.60 -0.51 1.61 0.41 -1.26 -4.95 118.70 115.62 2kga s GLU 20 Ca 0.34 -0.54 0.02 0.00 -0.41 0.00 0.00 54.97 54.38 2kga s GLU 20 Cb 0.28 -3.53 0.48 0.00 -1.78 0.00 0.00 34.13 29.58 2kga s GLU 20 CO 0.07 -0.29 1.75 2.41 -0.49 0.00 0.00 175.26 178.71 2kga n THR 21 N 4.99 3.20 -3.56 3.63 -1.04 -1.26 -4.86 114.28 115.39 2kga n THR 21 Ca -0.15 -3.18 -0.14 0.00 -2.04 0.00 0.00 64.05 58.55 2kga n THR 21 Cb 0.51 -1.02 -0.05 0.00 -1.82 0.00 0.00 70.33 67.95 2kga n THR 21 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2kga s ASP 22 N -2.33 -0.46 -0.80 8.00 -4.77 -1.26 -4.94 116.67 110.12 2kga s ASP 22 Ca 0.59 0.17 -0.03 0.00 -3.30 0.00 0.00 52.55 49.98 2kga s ASP 22 Cb 0.47 0.50 0.00 0.00 -1.09 0.00 0.00 42.92 42.81 2kga s ASP 22 CO 0.01 -0.74 0.68 0.61 0.70 0.00 0.00 175.17 176.44 2kga n GLY 23 N 0.35 -0.02 1.70 2.12 0.00 -1.26 -4.88 105.19 103.19 2kga n GLY 23 Ca -0.18 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 2kga n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kga n THR 24 N -3.48 2.38 0.17 2.61 -2.24 -1.26 -3.88 114.28 108.58 2kga n THR 24 Ca -0.09 -0.92 0.12 0.00 -2.27 0.00 0.00 64.05 60.88 2kga n THR 24 Cb 0.57 -1.65 0.09 0.00 -2.10 0.00 0.00 70.33 67.25 2kga n THR 24 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2kga h ASP 25 N 1.69 0.00 -0.57 3.42 3.58 -2.00 -3.40 116.42 119.14 2kga h ASP 25 Ca 0.08 0.00 -0.42 0.00 0.42 0.00 0.00 57.03 57.11 2kga h ASP 25 Cb 1.15 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.15 2kga h ASP 25 CO 0.13 0.01 1.36 -0.22 -2.88 0.00 0.00 179.24 177.64 2kga s LEU 26 N -5.85 3.25 0.00 2.28 2.96 -1.25 -4.64 118.68 115.43 2kga s LEU 26 Ca 0.04 -1.86 -0.23 0.00 -0.22 0.00 0.00 54.13 51.86 2kga s LEU 26 Cb 0.07 -2.59 0.08 0.00 0.50 0.00 0.00 46.19 44.25 2kga s LEU 26 CO 0.72 -2.59 1.06 -0.24 -1.32 0.00 0.00 176.35 173.98 2kga n SER 27 N 12.84 -1.41 0.00 3.68 2.88 -1.26 -4.60 113.62 125.75 2kga n SER 27 Ca 0.46 -1.60 0.00 0.00 -1.33 0.00 0.00 58.87 56.40 2kga n SER 27 Cb 0.46 2.26 0.00 0.00 -0.75 0.00 0.00 64.21 66.18 2kga n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kga n GLY 28 N -0.75 1.22 3.66 0.46 0.00 -1.26 -4.48 105.19 104.05 2kga n GLY 28 Ca 0.01 0.40 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 2kga n GLY 28 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kga s ASP 29 N -4.00 5.11 0.00 1.61 -4.77 -1.26 -4.92 116.67 108.44 2kga s ASP 29 Ca 0.00 0.10 0.00 0.00 -3.30 0.00 0.00 52.55 49.35 2kga s ASP 29 Cb 0.00 -1.40 0.00 0.00 -1.09 0.00 0.00 42.92 40.43 2kga s ASP 29 CO 0.00 0.37 0.00 2.22 0.70 0.00 0.00 175.17 178.46 2kga n PHE 30 N 2.12 0.00 -0.20 2.11 -1.74 -1.26 -4.97 117.46 113.52 2kga n PHE 30 Ca -0.18 0.00 0.28 0.00 -0.56 0.00 0.00 57.45 56.99 2kga n PHE 30 Cb 0.53 0.01 0.70 0.00 1.52 0.00 0.00 39.48 42.25 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 0.05 -1.36 5.98 5.85 -1.95 0.50 115.31 124.38 2kga h LEU 31 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2kga h LEU 31 Cb 0.08 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2kga h LEU 31 CO 0.00 0.01 -0.20 0.47 -0.34 0.00 0.00 178.44 178.38 2kga n ASP 32 N -4.29 2.32 -4.80 1.25 8.00 -1.26 -2.27 116.55 115.49 2kga n ASP 32 Ca 0.19 -1.67 -0.37 0.00 0.71 0.00 0.00 54.79 53.65 2kga n ASP 32 Cb 0.96 0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 42.20 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 -2.23 4.41 0.30 0.64 1.43 0.17 -4.97 118.68 118.43 2kga s LEU 33 Ca 0.25 1.52 -0.28 0.00 -1.03 0.00 0.00 54.13 54.59 2kga s LEU 33 Cb 0.19 -3.55 -0.09 0.00 0.03 0.00 0.00 46.19 42.77 2kga s LEU 33 CO 0.43 0.07 1.05 -0.13 0.23 0.00 0.00 176.35 178.00 2kga s ARG 34 N -1.76 4.59 0.21 1.70 1.81 -1.26 -4.09 118.95 120.15 2kga s ARG 34 Ca 0.42 1.66 -0.09 0.00 -1.72 0.00 0.00 55.73 56.00 2kga s ARG 34 Cb -0.19 -3.07 0.28 0.00 -0.45 0.00 0.00 34.95 31.52 2kga s ARG 34 CO 0.22 0.21 1.78 0.74 -0.68 0.00 0.00 175.30 177.58 2kga h PHE 35 N 3.60 0.58 -0.11 -0.53 0.04 -1.68 -0.21 116.94 118.63 2kga h PHE 35 Ca -0.47 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.36 2kga h PHE 35 Cb 1.21 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 39.19 2kga h PHE 35 CO 0.59 0.23 0.12 1.05 -0.60 0.00 0.00 178.31 179.70 2kga h GLU 36 N 0.57 0.00 0.01 1.51 4.11 -1.84 0.25 114.58 119.20 2kga h GLU 36 Ca 0.31 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.47 2kga h GLU 36 Cb 0.29 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2kga h GLU 36 CO -0.24 0.00 -1.49 0.22 0.07 0.00 0.00 179.01 177.57 2kga h ASP 37 N 0.00 0.03 -0.56 3.06 3.58 -1.44 -3.27 116.42 117.82 2kga h ASP 37 Ca 0.05 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kga h ASP 37 Cb 0.29 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2kga h ASP 37 CO -0.00 1.04 0.00 2.30 -2.88 0.00 0.00 179.24 179.70 2kga n ILE 38 N -3.17 1.90 -3.30 2.25 -5.35 -0.60 -4.91 119.36 106.19 2kga n ILE 38 Ca -0.12 -1.11 -0.22 0.00 -0.27 0.00 0.00 62.75 61.03 2kga n ILE 38 Cb 1.02 -0.05 0.06 0.00 -1.74 0.00 0.00 39.64 38.92 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 0.89 -0.43 3.30 3.28 0.00 -1.01 -4.96 105.19 106.26 2kga n GLY 39 Ca 0.24 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.23 3.31 0.69 1.61 5.04 0.84 -5.02 117.35 120.58 2kga s TYR 40 Ca 0.44 -1.37 -0.04 0.00 -2.44 0.00 0.00 57.07 53.66 2kga s TYR 40 Cb -0.19 -3.33 0.08 0.00 0.35 0.00 0.00 41.96 38.86 2kga s TYR 40 CO 0.55 -0.90 0.97 -0.51 -1.34 0.00 0.00 175.55 174.31 2kga s ASP 41 N 2.73 4.70 0.24 4.32 1.01 -1.26 -4.23 116.67 124.18 2kga s ASP 41 Ca 0.04 0.13 -0.05 0.00 0.71 0.00 0.00 52.55 53.37 2kga s ASP 41 Cb -0.26 -0.73 0.46 0.00 1.01 0.00 0.00 42.92 43.40 2kga s ASP 41 CO 0.03 -1.63 1.68 -1.28 0.21 0.00 0.00 175.17 174.18 2kga h SER 42 N -0.49 -0.04 0.60 0.27 0.87 -1.97 -0.49 113.55 112.30 2kga h SER 42 Ca -0.42 0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 2kga h SER 42 Cb 1.29 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.46 2kga h SER 42 CO 0.52 -0.06 -0.41 0.25 -0.53 0.00 0.00 176.83 176.60 2kga h LEU 43 N 0.24 -1.04 -1.03 2.23 6.46 -1.99 0.27 115.31 120.45 2kga h LEU 43 Ca 0.41 0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 58.16 2kga h LEU 43 Cb 0.72 0.31 -0.02 0.00 -0.73 0.00 0.00 40.66 40.95 2kga h LEU 43 CO -0.53 -0.61 -0.16 0.00 -0.62 0.00 0.00 178.44 176.51 2kga h ALA 44 N -0.69 1.19 -0.22 1.25 0.00 -1.78 -1.74 119.26 117.26 2kga h ALA 44 Ca -0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2kga h ALA 44 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2kga h ALA 44 CO 0.05 0.52 0.10 1.25 0.00 0.00 0.00 179.25 181.17 2kga h LEU 45 N 0.46 0.30 -0.77 0.00 5.85 -0.66 -0.19 115.31 120.30 2kga h LEU 45 Ca 0.08 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 2kga h LEU 45 Cb 0.55 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 2kga h LEU 45 CO 0.04 0.36 -0.10 0.00 -0.34 0.00 0.00 178.44 178.39 2kga h MET 46 N 0.21 0.83 -0.25 1.25 -0.00 -0.31 -2.55 114.93 114.10 2kga h MET 46 Ca 0.07 -0.28 -0.05 0.00 -0.00 0.00 0.00 59.70 59.45 2kga h MET 46 Cb 0.15 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.67 2kga h MET 46 CO -0.01 0.89 -0.07 0.93 -0.00 0.00 0.00 176.91 178.66 2kga h GLU 47 N 0.75 0.39 0.79 -0.10 5.08 -0.99 0.98 114.58 121.48 2kga h GLU 47 Ca 0.13 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2kga h GLU 47 Cb 0.60 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2kga h GLU 47 CO 0.04 0.48 -0.45 1.15 -1.00 0.00 0.00 179.01 179.23 2kga h THR 48 N 0.38 0.00 -0.45 1.13 2.02 -0.61 -0.40 112.91 114.97 2kga h THR 48 Ca 0.08 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 2kga h THR 48 Cb 0.36 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 2kga h THR 48 CO 0.02 0.00 0.17 0.00 0.37 0.00 0.00 175.52 176.08 2kga h ALA 49 N -1.30 1.45 -0.64 6.16 0.00 -1.40 -2.78 119.26 120.75 2kga h ALA 49 Ca -0.11 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2kga h ALA 49 Cb 0.91 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2kga h ALA 49 CO 0.13 0.42 0.41 0.00 0.00 0.00 0.00 179.25 180.20 2kga h ALA 50 N 1.55 0.82 -0.48 0.00 0.00 -0.48 0.21 119.26 120.88 2kga h ALA 50 Ca 0.16 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2kga h ALA 50 Cb 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2kga h ALA 50 CO -0.01 0.18 0.07 0.00 0.00 0.00 0.00 179.25 179.48 2kga h ARG 51 N 0.81 0.75 -0.25 0.00 3.08 -0.82 -1.33 114.38 116.63 2kga h ARG 51 Ca 0.25 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 2kga h ARG 51 Cb -0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2kga h ARG 51 CO -0.08 0.72 -0.38 -0.07 -1.07 0.00 0.00 179.97 179.08 2kga h LEU 52 N 0.72 0.59 -0.02 3.04 3.38 -1.03 0.12 115.31 122.10 2kga h LEU 52 Ca 0.15 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2kga h LEU 52 Cb 0.34 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2kga h LEU 52 CO 0.01 0.92 0.01 -0.33 0.09 0.00 0.00 178.44 179.14 2kga h GLU 53 N 0.47 0.03 -0.45 1.13 5.08 -0.04 0.85 114.58 121.66 2kga h GLU 53 Ca 0.04 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2kga h GLU 53 Cb 0.88 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2kga h GLU 53 CO 0.08 0.14 0.14 0.77 -1.00 0.00 0.00 179.01 179.13 2kga h SER 54 N -0.08 0.65 0.24 1.42 0.02 -1.10 0.26 113.55 114.95 2kga h SER 54 Ca 0.01 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 2kga h SER 54 Cb 0.12 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2kga h SER 54 CO -0.00 0.69 -0.11 -0.09 -1.14 0.00 0.00 176.83 176.17 2kga h ARG 55 N 0.58 -0.31 0.00 3.45 2.43 -0.67 -3.31 114.38 116.55 2kga h ARG 55 Ca 0.14 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2kga h ARG 55 Cb 0.27 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2kga h ARG 55 CO -0.00 -0.01 -0.89 1.88 -1.51 0.00 0.00 179.97 179.44 2kga h TYR 56 N -0.62 0.00 -2.63 2.20 0.05 -0.89 -3.49 116.97 111.60 2kga h TYR 56 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 2kga h TYR 56 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 2kga h TYR 56 CO 0.02 0.06 0.00 0.41 -1.05 0.00 0.00 178.16 177.60 2kga n GLY 57 N 1.19 0.51 3.38 3.88 0.00 0.82 -5.06 105.19 109.91 2kga n GLY 57 Ca -0.00 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.88 0.59 -0.18 1.61 -7.23 -0.71 -4.99 120.40 106.61 2kga s VAL 58 Ca 0.00 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 2kga s VAL 58 Cb 0.00 -2.58 0.06 0.00 0.56 0.00 0.00 36.38 34.42 2kga s VAL 58 CO 0.00 0.00 0.07 -0.44 -0.31 0.00 0.00 175.10 174.42 2kga s SER 59 N -3.41 2.61 -0.15 4.85 0.01 -1.26 -4.71 113.70 111.64 2kga s SER 59 Ca 0.35 -0.71 -0.17 0.00 1.31 0.00 0.00 55.95 56.72 2kga s SER 59 Cb 0.06 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 2kga s SER 59 CO 0.15 -0.33 0.45 -0.63 0.41 0.00 0.00 173.24 173.29 2kga s ILE 60 N 2.01 5.19 0.35 1.44 1.01 -1.26 -5.06 121.20 124.88 2kga s ILE 60 Ca 0.01 0.86 -0.28 0.00 0.00 0.00 0.00 60.65 61.24 2kga s ILE 60 Cb -0.16 -3.78 -0.10 0.00 0.01 0.00 0.00 42.46 38.42 2kga s ILE 60 CO -0.09 0.30 1.33 -2.84 0.00 0.00 0.00 174.94 173.64 2kga s PRO 61 N 0.88 4.25 0.20 2.79 0.02 -1.26 -4.96 135.00 136.92 2kga s PRO 61 Ca 0.23 2.25 -0.11 0.00 0.02 0.00 0.00 61.00 63.39 2kga s PRO 61 Cb -0.15 -3.00 0.23 0.00 0.02 0.00 0.00 34.50 31.60 2kga s PRO 61 CO 0.09 -0.29 1.75 0.22 -0.33 0.00 0.00 177.00 178.45 2kga h ASP 62 N 3.20 0.25 1.08 2.53 3.58 -2.03 -2.31 116.42 122.72 2kga h ASP 62 Ca -0.49 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.02 2kga h ASP 62 Cb 1.23 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.32 2kga h ASP 62 CO 0.65 0.16 0.00 -2.24 -2.88 0.00 0.00 179.24 174.93 2kga h ASP 63 N 0.42 0.00 1.45 2.28 2.03 -2.04 -2.49 116.42 118.07 2kga h ASP 63 Ca 0.28 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.58 2kga h ASP 63 Cb 0.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 2kga h ASP 63 CO -0.26 0.00 0.00 0.52 -1.03 0.00 0.00 179.24 178.47 2kga n VAL 64 N -2.43 0.57 -0.15 4.15 0.31 -0.87 -3.57 118.33 116.34 2kga n VAL 64 Ca 0.03 -0.27 -0.08 0.00 -0.01 0.00 0.00 64.34 64.02 2kga n VAL 64 Cb 0.32 -0.58 0.01 0.00 -0.91 0.00 0.00 33.84 32.68 2kga n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kga h ALA 65 N 2.55 0.57 0.00 3.52 0.00 -1.51 -2.73 119.26 121.66 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 0.72 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kga h ALA 65 CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2kga n GLY 66 N -1.21 -0.64 0.10 0.00 0.00 -1.23 -2.87 105.19 99.34 2kga n GLY 66 Ca 0.01 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.95 0.62 -2.73 1.61 1.85 -1.03 -4.74 116.66 111.29 2kga n ARG 67 Ca 0.14 0.16 -0.42 0.00 -1.00 0.00 0.00 57.85 56.72 2kga n ARG 67 Cb 0.06 -1.79 -0.03 0.00 -1.05 0.00 0.00 32.46 29.65 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 -3.10 4.20 -0.12 8.89 -7.23 -1.14 -4.72 120.40 117.18 2kga s VAL 68 Ca -0.03 -0.62 0.17 0.00 -1.81 0.00 0.00 61.98 59.70 2kga s VAL 68 Cb 0.09 -4.86 -0.21 0.00 0.56 0.00 0.00 36.38 31.97 2kga s VAL 68 CO 0.81 -1.68 0.55 -0.67 -0.31 0.00 0.00 175.10 173.80 2kga n ASP 69 N 8.07 0.51 -4.44 4.85 2.03 -1.26 -4.91 116.55 121.39 2kga n ASP 69 Ca 0.14 0.23 -0.29 0.00 0.52 0.00 0.00 54.79 55.39 2kga n ASP 69 Cb 0.49 0.60 -0.12 0.00 -0.72 0.00 0.00 41.12 41.37 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 -2.84 2.56 0.55 5.18 -4.23 -1.26 -1.83 115.64 113.77 2kga s THR 70 Ca -0.06 -1.65 0.31 0.00 -1.18 0.00 0.00 61.69 59.11 2kga s THR 70 Cb 0.09 -2.16 0.35 0.00 1.34 0.00 0.00 72.50 72.11 2kga s THR 70 CO 0.83 0.08 2.22 -0.65 -0.54 0.00 0.00 174.62 176.57 2kga h PRO 71 N 3.77 0.00 -0.32 3.99 0.11 -1.71 -1.77 132.00 136.06 2kga h PRO 71 Ca -0.50 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.68 2kga h PRO 71 Cb 1.17 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 2kga h PRO 71 CO 0.43 0.03 -0.21 -0.09 -0.21 0.00 0.00 178.00 177.94 2kga h ARG 72 N 0.00 -0.17 -0.14 1.05 2.43 -1.79 0.33 114.38 116.08 2kga h ARG 72 Ca -0.00 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 2kga h ARG 72 Cb 0.09 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2kga h ARG 72 CO 0.00 -0.11 -0.37 0.93 -1.51 0.00 0.00 179.97 178.91 2kga h GLU 73 N -0.18 0.29 -0.25 0.20 5.08 -1.64 -1.28 114.58 116.80 2kga h GLU 73 Ca 0.17 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2kga h GLU 73 Cb 0.43 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2kga h GLU 73 CO -0.43 0.63 -0.05 1.25 -1.00 0.00 0.00 179.01 179.41 2kga h LEU 74 N 0.25 0.48 -0.35 1.33 7.12 -1.16 -0.23 115.31 122.75 2kga h LEU 74 Ca 0.03 -0.36 0.05 0.00 0.13 0.00 0.00 57.88 57.73 2kga h LEU 74 Cb 0.78 -0.13 -0.05 0.00 -0.53 0.00 0.00 40.66 40.73 2kga h LEU 74 CO 0.06 0.72 0.05 0.25 -0.13 0.00 0.00 178.44 179.39 2kga h LEU 75 N 0.22 -0.03 -0.72 2.25 5.85 -0.13 -0.99 115.31 121.75 2kga h LEU 75 Ca 0.06 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.91 2kga h LEU 75 Cb 0.51 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 2kga h LEU 75 CO 0.02 0.02 0.41 -0.78 -0.34 0.00 0.00 178.44 177.77 2kga h ASP 76 N 0.16 0.62 -0.60 1.25 3.58 -1.06 -0.04 116.42 120.33 2kga h ASP 76 Ca 0.17 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.61 2kga h ASP 76 Cb 0.20 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 2kga h ASP 76 CO -0.24 0.39 0.24 0.25 -2.88 0.00 0.00 179.24 177.01 2kga h LEU 77 N 0.75 0.83 0.25 2.28 5.85 -0.17 0.17 115.31 125.27 2kga h LEU 77 Ca 0.32 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2kga h LEU 77 Cb 0.20 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2kga h LEU 77 CO -0.19 0.77 -0.12 0.40 -0.34 0.00 0.00 178.44 178.96 2kga h ILE 78 N 0.83 0.77 -0.25 4.05 1.08 -0.82 -2.65 117.51 120.52 2kga h ILE 78 Ca 0.20 -0.72 -0.03 0.00 -0.39 0.00 0.00 64.86 63.92 2kga h ILE 78 Cb 0.20 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 2kga h ILE 78 CO -0.02 0.14 0.04 0.78 -0.69 0.00 0.00 178.15 178.40 2kga h ASN 79 N -0.75 0.33 -0.39 1.72 2.35 -0.93 0.23 115.58 118.13 2kga h ASN 79 Ca -0.03 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 2kga h ASN 79 Cb 0.50 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 2kga h ASN 79 CO 0.06 0.36 0.07 1.23 -1.65 0.00 0.00 177.43 177.50 2kga h GLY 80 N 0.61 0.78 1.19 2.83 0.00 -0.67 -0.12 103.07 107.69 2kga h GLY 80 Ca 0.08 -0.46 -0.24 0.00 0.00 0.00 0.00 47.33 46.71 2kga h GLY 80 CO 0.00 0.43 -0.87 0.00 0.00 0.00 0.00 176.54 176.10 2kga h ALA 81 N 1.38 0.25 0.00 3.60 0.00 -0.82 -3.20 119.26 120.47 2kga h ALA 81 Ca 0.15 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2kga h ALA 81 Cb 0.33 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2kga h ALA 81 CO 0.01 0.68 -0.09 -0.07 0.00 0.00 0.00 179.25 179.78 2kga h LEU 82 N 0.50 0.00 -1.16 0.00 3.38 -0.15 -1.04 115.31 116.83 2kga h LEU 82 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2kga h LEU 82 Cb 1.51 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.23 2kga h LEU 82 CO 0.18 0.09 0.21 0.00 0.09 0.00 0.00 178.44 179.01 2kga h ALA 83 N 1.91 1.34 0.00 1.53 0.00 -1.02 -2.33 119.26 120.69 2kga h ALA 83 Ca -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2kga h ALA 83 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2kga h ALA 83 CO 0.01 0.49 -0.51 0.93 0.00 0.00 0.00 179.25 180.18 2kga h GLU 84 N 0.79 0.00 -6.05 0.00 4.39 -1.32 -3.43 114.58 108.96 2kga h GLU 84 Ca 0.19 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.38 2kga h GLU 84 Cb 0.17 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 2kga h GLU 84 CO -0.02 0.15 1.32 0.00 -1.16 0.00 0.00 179.01 179.31 2kga s ALA 85 N -3.16 2.30 0.00 3.43 0.00 -0.76 -5.14 121.76 118.43 2kga s ALA 85 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2kga s ALA 85 Cb 0.07 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 18.93 2kga s ALA 85 CO 0.73 -3.69 0.00 0.00 0.00 0.00 0.00 175.76 172.80