#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 0.39 -0.59 -5.12 0.00 -1.26 -5.09 121.76 110.09 2kga s ALA 2 Ca 0.00 -0.47 -0.27 0.00 0.00 0.00 0.00 51.96 51.21 2kga s ALA 2 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.16 2kga s ALA 2 CO 0.00 0.00 1.15 0.99 0.00 0.00 0.00 175.76 177.91 2kga s THR 3 N -0.82 4.06 -0.03 0.00 2.01 -1.26 -4.98 115.64 114.63 2kga s THR 3 Ca -0.06 0.72 0.05 0.00 0.31 0.00 0.00 61.69 62.71 2kga s THR 3 Cb -0.06 -4.71 -0.01 0.00 0.01 0.00 0.00 72.50 67.73 2kga s THR 3 CO -0.00 -1.36 -0.18 -0.76 -0.69 0.00 0.00 174.62 171.64 2kga s LEU 4 N 4.84 1.97 -0.21 4.42 1.43 -1.26 -4.69 118.68 125.18 2kga s LEU 4 Ca 0.39 -0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 52.98 2kga s LEU 4 Cb -0.09 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 2kga s LEU 4 CO 0.23 0.19 0.49 -0.22 0.23 0.00 0.00 176.35 177.27 2kga s LEU 5 N -0.18 4.13 0.00 1.79 2.96 -1.26 -5.06 118.68 121.06 2kga s LEU 5 Ca 0.01 0.61 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 2kga s LEU 5 Cb -0.09 -2.66 0.02 0.00 0.50 0.00 0.00 46.19 43.96 2kga s LEU 5 CO 0.01 -0.17 0.14 0.35 -1.32 0.00 0.00 176.35 175.35 2kga n THR 6 N 4.60 0.00 0.13 3.68 -2.24 -1.26 -4.86 114.28 114.33 2kga n THR 6 Ca -0.05 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 2kga n THR 6 Cb 0.50 -0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 67.87 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 0.12 0.38 0.00 4.28 2.02 -1.97 0.14 112.91 117.88 2kga h THR 7 Ca -0.05 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 2kga h THR 7 Cb 0.24 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2kga h THR 7 CO 0.08 0.00 -0.35 -2.24 0.37 0.00 0.00 175.52 173.38 2kga h ASP 8 N -0.52 0.00 -0.16 4.18 2.03 -1.95 0.33 116.42 120.33 2kga h ASP 8 Ca 0.02 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.28 2kga h ASP 8 Cb 0.54 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.03 2kga h ASP 8 CO -0.15 0.35 -0.06 0.44 -1.03 0.00 0.00 179.24 178.78 2kga h ASP 9 N 0.00 0.33 -0.46 4.15 3.32 -1.83 -1.91 116.42 120.01 2kga h ASP 9 Ca -0.00 -0.40 -0.06 0.00 0.02 0.00 0.00 57.03 56.59 2kga h ASP 9 Cb 0.67 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2kga h ASP 9 CO 0.04 0.65 0.05 0.25 -1.72 0.00 0.00 179.24 178.52 2kga h LEU 10 N -0.00 0.75 -0.06 1.55 5.85 -0.30 -1.90 115.31 121.21 2kga h LEU 10 Ca 0.04 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.50 2kga h LEU 10 Cb 0.52 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 2kga h LEU 10 CO 0.02 0.84 -0.45 -0.09 -0.34 0.00 0.00 178.44 178.42 2kga h ARG 11 N 0.64 -0.51 -0.94 1.25 2.43 -0.29 0.19 114.38 117.16 2kga h ARG 11 Ca 0.14 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2kga h ARG 11 Cb 0.42 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 2kga h ARG 11 CO 0.01 -0.34 0.62 0.07 -1.51 0.00 0.00 179.97 178.82 2kga h ARG 12 N -0.53 1.24 -0.68 0.20 0.11 -1.32 0.18 114.38 113.59 2kga h ARG 12 Ca 0.02 -0.08 -0.02 0.00 0.10 0.00 0.00 59.98 60.00 2kga h ARG 12 Cb 0.59 -0.28 -0.03 0.00 1.11 0.00 0.00 29.97 31.36 2kga h ARG 12 CO -0.34 0.83 0.34 0.00 0.10 0.00 0.00 179.97 180.90 2kga h ALA 13 N 1.34 0.87 0.33 0.08 0.00 -0.83 -1.51 119.26 119.55 2kga h ALA 13 Ca 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2kga h ALA 13 Cb -0.14 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.39 2kga h ALA 13 CO -0.07 0.42 -0.16 -0.07 0.00 0.00 0.00 179.25 179.36 2kga h LEU 14 N 0.93 -0.38 -0.90 0.00 3.38 -0.05 -3.30 115.31 114.99 2kga h LEU 14 Ca 0.23 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2kga h LEU 14 Cb 0.09 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2kga h LEU 14 CO -0.03 0.07 -0.05 1.62 0.09 0.00 0.00 178.44 180.14 2kga h VAL 15 N -0.98 1.25 0.00 1.22 3.04 -0.59 -0.94 116.25 119.25 2kga h VAL 15 Ca -0.05 -1.06 -0.03 0.00 -1.01 0.00 0.00 66.70 64.55 2kga h VAL 15 Cb 0.51 0.96 -0.00 0.00 -2.01 0.00 0.00 31.29 30.74 2kga h VAL 15 CO 0.08 0.37 -0.16 -0.33 -1.01 0.00 0.00 177.57 176.51 2kga h GLU 16 N 0.70 0.00 0.14 4.17 5.08 -1.45 -0.97 114.58 122.26 2kga h GLU 16 Ca 0.13 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.15 2kga h GLU 16 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2kga h GLU 16 CO 0.03 0.16 -1.77 0.77 -1.00 0.00 0.00 179.01 177.19 2kga h SER 17 N 0.00 0.47 0.20 1.42 0.02 -1.49 -3.38 113.55 110.80 2kga h SER 17 Ca -0.00 -0.79 -0.24 0.00 -0.84 0.00 0.00 61.79 59.91 2kga h SER 17 Cb 0.77 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.16 2kga h SER 17 CO 0.02 1.68 -0.99 0.00 -1.14 0.00 0.00 176.83 176.40 2kga h ALA 18 N 0.24 0.26 0.00 3.77 0.00 -1.02 -3.44 119.26 119.07 2kga h ALA 18 Ca -0.34 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 53.86 2kga h ALA 18 Cb 2.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.86 2kga h ALA 18 CO 0.14 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.57 2kga n GLY 19 N 1.01 -1.27 3.11 0.00 0.00 -0.38 -4.77 105.19 102.90 2kga n GLY 19 Ca -0.08 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.45 2kga n GLY 19 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kga n GLU 20 N -0.01 2.70 -1.05 1.61 0.28 -1.26 -4.83 120.64 118.07 2kga n GLU 20 Ca 0.00 -4.48 -0.18 0.00 -0.16 0.00 0.00 57.16 52.34 2kga n GLU 20 Cb 0.00 -2.42 -0.14 0.00 1.43 0.00 0.00 31.44 30.31 2kga n GLU 20 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2kga n THR 21 N 2.29 3.24 0.00 3.84 -1.04 -1.26 -4.87 114.28 116.48 2kga n THR 21 Ca 0.22 -1.71 0.00 0.00 -2.04 0.00 0.00 64.05 60.52 2kga n THR 21 Cb 0.37 -2.13 0.00 0.00 -1.82 0.00 0.00 70.33 66.75 2kga n THR 21 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2kga n ASP 22 N 2.75 0.00 -3.38 8.00 2.03 -1.26 -3.87 116.55 120.81 2kga n ASP 22 Ca 0.50 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.55 2kga n ASP 22 Cb 0.76 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 41.08 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 3.99 2.46 0.27 0.00 -1.26 -4.93 105.19 105.72 2kga n GLY 23 Ca 0.00 -2.30 -0.29 0.00 0.00 0.00 0.00 46.02 43.43 2kga n GLY 23 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kga s THR 24 N -1.86 0.19 -0.35 2.61 -1.32 -1.25 -5.08 115.64 108.58 2kga s THR 24 Ca 0.37 -1.84 -0.29 0.00 -1.21 0.00 0.00 61.69 58.72 2kga s THR 24 Cb 0.14 -1.15 -0.00 0.00 -1.51 0.00 0.00 72.50 69.97 2kga s THR 24 CO -0.07 -1.02 1.57 1.51 -2.21 0.00 0.00 174.62 174.40 2kga s ASP 25 N 0.93 6.20 0.00 8.08 -4.77 -1.26 -4.72 116.67 121.13 2kga s ASP 25 Ca 0.20 1.11 0.00 0.00 -3.30 0.00 0.00 52.55 50.56 2kga s ASP 25 Cb -0.20 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.10 2kga s ASP 25 CO -0.02 -1.49 0.70 -0.11 0.70 0.00 0.00 175.17 174.95 2kga n LEU 26 N 9.23 1.27 -4.36 2.11 7.94 -1.26 -4.83 117.00 127.10 2kga n LEU 26 Ca 0.19 -1.27 -0.46 0.00 -1.11 0.00 0.00 56.01 53.35 2kga n LEU 26 Cb 0.47 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.40 2kga n LEU 26 CO 0.69 0.32 0.56 -0.55 -1.11 0.00 0.00 177.39 177.30 2kga s SER 27 N -0.48 6.70 0.00 1.96 0.15 -1.26 -4.69 113.70 116.08 2kga s SER 27 Ca 0.00 -2.47 0.00 0.00 0.70 0.00 0.00 55.95 54.18 2kga s SER 27 Cb 0.00 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 2kga s SER 27 CO 0.00 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.33 2kga n GLY 28 N 4.42 2.46 3.43 9.45 0.00 -1.26 -4.99 105.19 118.70 2kga n GLY 28 Ca 0.15 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.13 5.33 0.00 1.61 2.15 -1.26 -4.75 116.67 116.62 2kga s ASP 29 Ca 0.00 -0.44 0.00 0.00 0.43 0.00 0.00 52.55 52.54 2kga s ASP 29 Cb 0.00 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.67 2kga s ASP 29 CO 0.00 -0.14 0.00 2.22 -0.17 0.00 0.00 175.17 177.08 2kga n PHE 30 N 4.94 0.00 -0.28 -5.34 1.16 -1.26 -4.69 117.46 111.98 2kga n PHE 30 Ca -0.15 0.00 0.19 0.00 -1.87 0.00 0.00 57.45 55.63 2kga n PHE 30 Cb 0.50 0.00 0.49 0.00 -1.61 0.00 0.00 39.48 38.85 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 0.47 -1.93 5.98 5.85 -1.96 -0.07 115.31 123.65 2kga h LEU 31 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2kga h LEU 31 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2kga h LEU 31 CO 0.00 0.16 0.00 0.47 -0.34 0.00 0.00 178.44 178.73 2kga n ASP 32 N -4.57 2.95 -4.82 1.25 8.00 -1.26 -2.34 116.55 115.75 2kga n ASP 32 Ca 0.22 -1.94 -0.36 0.00 0.71 0.00 0.00 54.79 53.42 2kga n ASP 32 Cb 0.74 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.69 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 -1.80 4.32 0.00 0.64 1.02 -0.04 -5.01 118.68 117.81 2kga s LEU 33 Ca 0.33 1.34 -0.30 0.00 0.02 0.00 0.00 54.13 55.52 2kga s LEU 33 Cb 0.21 -3.56 -0.04 0.00 0.02 0.00 0.00 46.19 42.82 2kga s LEU 33 CO 0.31 0.03 1.12 -0.13 0.02 0.00 0.00 176.35 177.70 2kga s ARG 34 N -2.04 4.44 0.37 1.70 1.81 -1.26 -4.09 118.95 119.89 2kga s ARG 34 Ca 0.43 1.62 0.15 0.00 -1.72 0.00 0.00 55.73 56.20 2kga s ARG 34 Cb -0.16 -3.45 1.00 0.00 -0.45 0.00 0.00 34.95 31.89 2kga s ARG 34 CO 0.20 -0.26 1.78 0.74 -0.68 0.00 0.00 175.30 177.08 2kga h PHE 35 N 7.00 0.77 -1.00 -0.53 0.04 -0.81 -1.13 116.94 121.29 2kga h PHE 35 Ca -0.39 0.03 0.20 0.00 2.80 0.00 0.00 57.97 60.61 2kga h PHE 35 Cb 1.20 -0.23 -0.11 0.00 2.20 0.00 0.00 35.95 39.01 2kga h PHE 35 CO 0.69 0.11 0.60 0.93 -0.60 0.00 0.00 178.31 180.04 2kga h GLU 36 N 0.49 0.70 0.00 1.51 5.08 -1.77 -1.30 114.58 119.30 2kga h GLU 36 Ca 0.58 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.70 2kga h GLU 36 Cb 1.30 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 2kga h GLU 36 CO -0.32 0.47 -1.46 0.22 -1.00 0.00 0.00 179.01 176.92 2kga h ASP 37 N 0.73 0.00 -0.80 1.42 3.58 -1.46 -3.39 116.42 116.50 2kga h ASP 37 Ca 0.59 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 57.56 2kga h ASP 37 Cb 0.94 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 41.80 2kga h ASP 37 CO -0.40 0.70 0.58 2.30 -2.88 0.00 0.00 179.24 179.55 2kga n ILE 38 N -2.95 3.15 0.00 2.25 -5.35 -0.58 -4.75 119.36 111.12 2kga n ILE 38 Ca -0.11 -2.36 0.00 0.00 -0.27 0.00 0.00 62.75 60.01 2kga n ILE 38 Cb 0.90 -1.32 0.00 0.00 -1.74 0.00 0.00 39.64 37.48 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 0.01 3.27 3.52 3.28 0.00 -1.24 -4.98 105.19 109.07 2kga n GLY 39 Ca 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.11 2.41 -0.12 1.61 1.51 -0.67 -4.76 117.35 115.21 2kga s TYR 40 Ca 0.00 -0.24 -0.21 0.00 -1.01 0.00 0.00 57.07 55.61 2kga s TYR 40 Cb 0.00 -4.54 -0.26 0.00 -0.11 0.00 0.00 41.96 37.05 2kga s TYR 40 CO 0.00 -1.95 0.59 0.22 -1.11 0.00 0.00 175.55 173.29 2kga h ASP 41 N 9.88 0.23 0.00 2.29 1.82 -1.82 -3.24 116.42 125.58 2kga h ASP 41 Ca -0.25 -0.83 0.00 0.00 -0.39 0.00 0.00 57.03 55.56 2kga h ASP 41 Cb 1.05 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.99 2kga h ASP 41 CO 1.26 1.42 0.00 -1.54 -1.61 0.00 0.00 179.24 178.77 2kga n SER 42 N -4.21 0.00 -0.09 2.28 3.41 -1.26 -4.97 113.62 108.78 2kga n SER 42 Ca -0.21 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.31 2kga n SER 42 Cb 0.75 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.69 2kga n SER 42 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2kga h LEU 43 N 0.00 0.34 -1.10 1.04 7.12 -1.94 0.23 115.31 121.00 2kga h LEU 43 Ca 0.00 -0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.94 2kga h LEU 43 Cb 0.00 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.03 2kga h LEU 43 CO 0.00 0.25 -0.10 0.00 -0.13 0.00 0.00 178.44 178.45 2kga h ALA 44 N 1.13 1.26 -0.24 1.25 0.00 -1.91 -1.97 119.26 118.77 2kga h ALA 44 Ca 0.12 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2kga h ALA 44 Cb -0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2kga h ALA 44 CO -0.04 0.49 -0.32 1.25 0.00 0.00 0.00 179.25 180.63 2kga h LEU 45 N 0.48 0.70 -0.72 0.00 5.85 -1.72 -1.54 115.31 118.37 2kga h LEU 45 Ca 0.09 -0.50 -0.09 0.00 0.84 0.00 0.00 57.88 58.22 2kga h LEU 45 Cb 0.47 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2kga h LEU 45 CO 0.03 1.07 0.00 0.00 -0.34 0.00 0.00 178.44 179.19 2kga h MET 46 N 0.36 0.98 -0.72 1.25 -0.00 -0.33 0.39 114.93 116.86 2kga h MET 46 Ca 0.03 -0.30 -0.05 0.00 -0.00 0.00 0.00 59.70 59.38 2kga h MET 46 Cb 0.90 -0.10 -0.03 0.00 -0.00 0.00 0.00 31.60 32.37 2kga h MET 46 CO 0.08 0.97 0.24 0.93 -0.00 0.00 0.00 176.91 179.12 2kga h GLU 47 N 0.90 1.11 0.54 -0.10 5.08 -1.30 0.41 114.58 121.23 2kga h GLU 47 Ca 0.17 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2kga h GLU 47 Cb 0.52 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.61 2kga h GLU 47 CO 0.03 0.94 -0.26 1.15 -1.00 0.00 0.00 179.01 179.87 2kga h THR 48 N 1.06 0.47 -0.75 1.13 2.02 -0.81 -0.48 112.91 115.55 2kga h THR 48 Ca 0.24 -0.03 0.09 0.00 0.77 0.00 0.00 66.41 67.48 2kga h THR 48 Cb 0.28 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.10 2kga h THR 48 CO -0.01 0.00 0.40 0.00 0.37 0.00 0.00 175.52 176.28 2kga h ALA 49 N -0.28 1.04 -0.55 6.16 0.00 -0.76 0.70 119.26 125.57 2kga h ALA 49 Ca -0.07 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2kga h ALA 49 Cb 0.56 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2kga h ALA 49 CO 0.12 0.01 0.25 0.00 0.00 0.00 0.00 179.25 179.64 2kga h ALA 50 N 1.43 0.71 -0.58 0.00 0.00 -0.74 -1.49 119.26 118.60 2kga h ALA 50 Ca 0.36 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2kga h ALA 50 Cb 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2kga h ALA 50 CO -0.25 0.29 0.08 -0.09 0.00 0.00 0.00 179.25 179.27 2kga h ARG 51 N 0.75 0.94 -0.45 0.00 2.43 -0.19 -1.56 114.38 116.29 2kga h ARG 51 Ca 0.19 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2kga h ARG 51 Cb 0.14 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2kga h ARG 51 CO -0.02 0.88 0.30 -0.07 -1.51 0.00 0.00 179.97 179.55 2kga h LEU 52 N 0.88 0.52 -0.23 3.80 3.38 -0.42 0.32 115.31 123.56 2kga h LEU 52 Ca 0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2kga h LEU 52 Cb 0.41 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2kga h LEU 52 CO 0.01 0.38 0.13 -0.33 0.09 0.00 0.00 178.44 178.72 2kga h GLU 53 N 0.61 0.31 0.39 1.13 5.08 -1.00 -0.87 114.58 120.23 2kga h GLU 53 Ca 0.17 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2kga h GLU 53 Cb -0.07 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2kga h GLU 53 CO -0.04 0.28 -0.19 1.03 -1.00 0.00 0.00 179.01 179.10 2kga h SER 54 N 0.26 -0.44 -0.50 1.42 0.87 -0.94 0.62 113.55 114.84 2kga h SER 54 Ca 0.08 -0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.45 2kga h SER 54 Cb 0.05 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2kga h SER 54 CO -0.01 -0.21 -0.19 -0.09 -0.53 0.00 0.00 176.83 175.80 2kga h ARG 55 N -0.66 1.02 0.00 2.24 2.43 -0.35 -3.29 114.38 115.77 2kga h ARG 55 Ca -0.05 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2kga h ARG 55 Cb 0.48 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2kga h ARG 55 CO 0.09 1.10 -0.96 0.66 -1.51 0.00 0.00 179.97 179.35 2kga n TYR 56 N -4.12 0.00 -2.21 2.20 4.01 -0.34 -4.98 117.16 111.72 2kga n TYR 56 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2kga n TYR 56 Cb 0.45 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 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 1.44 0.59 3.94 2.72 0.00 0.16 -4.98 105.19 109.05 2kga n GLY 57 Ca 0.03 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.41 2.48 -0.28 1.61 -7.23 -0.87 -4.87 120.40 108.83 2kga s VAL 58 Ca 0.00 -1.22 -0.03 0.00 -1.81 0.00 0.00 61.98 58.92 2kga s VAL 58 Cb -0.00 -2.70 0.09 0.00 0.56 0.00 0.00 36.38 34.33 2kga s VAL 58 CO 0.00 0.00 0.10 -0.44 -0.31 0.00 0.00 175.10 174.46 2kga s SER 59 N -4.31 3.54 -0.43 4.85 0.01 -1.26 -4.52 113.70 111.58 2kga s SER 59 Ca 0.50 -1.30 -0.16 0.00 1.31 0.00 0.00 55.95 56.30 2kga s SER 59 Cb -0.05 -0.55 0.03 0.00 0.21 0.00 0.00 66.02 65.65 2kga s SER 59 CO 0.30 -0.41 0.37 -0.63 0.41 0.00 0.00 173.24 173.28 2kga s ILE 60 N 1.90 5.19 0.72 1.44 1.01 -1.26 -5.08 121.20 125.13 2kga s ILE 60 Ca 0.07 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 2kga s ILE 60 Cb -0.17 -4.00 0.03 0.00 0.01 0.00 0.00 42.46 38.33 2kga s ILE 60 CO -0.27 -0.40 1.12 -2.84 0.00 0.00 0.00 174.94 172.55 2kga s PRO 61 N 1.84 2.41 0.57 2.79 0.02 -1.26 -4.75 135.00 136.62 2kga s PRO 61 Ca 0.07 1.38 0.25 0.00 0.02 0.00 0.00 61.00 62.72 2kga s PRO 61 Cb -0.19 -1.90 1.64 0.00 0.02 0.00 0.00 34.50 34.06 2kga s PRO 61 CO 0.11 -1.55 2.22 0.38 -0.33 0.00 0.00 177.00 177.83 2kga h ASP 62 N -0.51 0.00 -0.04 2.53 3.04 -1.98 0.91 116.42 120.38 2kga h ASP 62 Ca -0.46 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.18 2kga h ASP 62 Cb 1.25 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.53 2kga h ASP 62 CO 0.52 0.00 -0.50 -0.78 -2.04 0.00 0.00 179.24 176.43 2kga h ASP 63 N 0.00 0.66 0.03 4.15 3.58 -1.97 -0.75 116.42 122.11 2kga h ASP 63 Ca -0.00 -0.33 -0.10 0.00 0.42 0.00 0.00 57.03 57.02 2kga h ASP 63 Cb 0.00 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 40.87 2kga h ASP 63 CO 0.00 1.05 -0.40 0.58 -2.88 0.00 0.00 179.24 177.59 2kga h VAL 64 N 0.47 1.55 0.00 2.25 2.07 -1.44 -1.71 116.25 119.44 2kga h VAL 64 Ca 0.02 -2.13 -0.00 0.00 0.82 0.00 0.00 66.70 65.40 2kga h VAL 64 Cb 1.04 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 33.70 2kga h VAL 64 CO 0.10 0.59 -0.02 0.00 0.02 0.00 0.00 177.57 178.26 2kga h ALA 65 N 0.21 1.95 0.00 1.67 0.00 -0.90 -0.93 119.26 121.25 2kga h ALA 65 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kga h ALA 65 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kga h ALA 65 CO 0.08 0.03 -0.57 0.41 0.00 0.00 0.00 179.25 179.19 2kga n GLY 66 N -1.47 -1.36 0.14 0.00 0.00 -0.29 -3.94 105.19 98.27 2kga n GLY 66 Ca -0.03 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 0.54 -2.72 1.61 1.85 -0.43 -4.74 116.66 110.88 2kga n ARG 67 Ca 0.04 -0.29 -0.42 0.00 -1.00 0.00 0.00 57.85 56.18 2kga n ARG 67 Cb 0.40 -1.46 -0.02 0.00 -1.05 0.00 0.00 32.46 30.32 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 -2.78 4.31 -0.41 8.89 -7.23 -0.73 -4.72 120.40 117.73 2kga s VAL 68 Ca 0.11 -1.28 0.23 0.00 -1.81 0.00 0.00 61.98 59.23 2kga s VAL 68 Cb 0.16 -4.96 0.05 0.00 0.56 0.00 0.00 36.38 32.19 2kga s VAL 68 CO 0.76 -1.77 1.21 -2.24 -0.31 0.00 0.00 175.10 172.75 2kga h ASP 69 N 9.09 0.00 -4.67 4.85 3.04 -1.90 -3.47 116.42 123.36 2kga h ASP 69 Ca 0.21 -0.08 -0.28 0.00 -3.24 0.00 0.00 57.03 53.64 2kga h ASP 69 Cb 1.00 0.00 -0.22 0.00 -1.04 0.00 0.00 39.33 39.07 2kga h ASP 69 CO 1.30 0.04 -0.74 0.42 -2.04 0.00 0.00 179.24 178.23 2kga s THR 70 N -3.27 0.54 0.49 1.15 -4.23 -1.26 -0.06 115.64 108.99 2kga s THR 70 Ca 0.03 -1.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.72 2kga s THR 70 Cb 0.11 -0.59 0.33 0.00 1.34 0.00 0.00 72.50 73.69 2kga s THR 70 CO 0.75 -0.33 2.03 -0.65 -0.54 0.00 0.00 174.62 175.89 2kga h PRO 71 N 4.65 0.18 -0.16 3.99 0.11 -1.71 -1.46 132.00 137.60 2kga h PRO 71 Ca -0.35 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.79 2kga h PRO 71 Cb 1.20 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 2kga h PRO 71 CO 0.42 0.12 -0.47 -0.09 -0.21 0.00 0.00 178.00 177.76 2kga h ARG 72 N 0.18 -0.50 -0.27 1.05 2.43 -1.80 0.42 114.38 115.88 2kga h ARG 72 Ca 0.19 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.28 2kga h ARG 72 Cb 0.52 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2kga h ARG 72 CO -0.03 -0.33 -0.30 0.93 -1.51 0.00 0.00 179.97 178.73 2kga h GLU 73 N -0.52 0.56 -0.22 0.20 4.39 -1.69 -1.61 114.58 115.69 2kga h GLU 73 Ca 0.06 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 2kga h GLU 73 Cb 0.65 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2kga h GLU 73 CO -0.43 0.80 -0.01 1.25 -1.16 0.00 0.00 179.01 179.45 2kga h LEU 74 N 0.49 0.40 -0.76 1.33 7.12 -0.88 -1.41 115.31 121.59 2kga h LEU 74 Ca 0.06 -0.33 0.05 0.00 0.13 0.00 0.00 57.88 57.80 2kga h LEU 74 Cb 0.76 -0.11 -0.06 0.00 -0.53 0.00 0.00 40.66 40.73 2kga h LEU 74 CO 0.06 0.63 0.46 0.25 -0.13 0.00 0.00 178.44 179.71 2kga h LEU 75 N 0.16 0.72 -0.30 2.25 5.85 -0.09 -1.34 115.31 122.55 2kga h LEU 75 Ca 0.06 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.84 2kga h LEU 75 Cb 0.43 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2kga h LEU 75 CO 0.01 0.47 0.05 -0.78 -0.34 0.00 0.00 178.44 177.85 2kga h ASP 76 N 0.85 -0.02 -0.59 1.25 3.58 -1.04 0.10 116.42 120.57 2kga h ASP 76 Ca 0.33 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.80 2kga h ASP 76 Cb 0.15 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 2kga h ASP 76 CO -0.16 0.03 0.24 0.25 -2.88 0.00 0.00 179.24 176.72 2kga h LEU 77 N 0.15 0.80 0.03 2.28 7.12 -0.61 -0.21 115.31 124.88 2kga h LEU 77 Ca 0.14 -0.16 -0.00 0.00 0.13 0.00 0.00 57.88 57.99 2kga h LEU 77 Cb 0.16 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.08 2kga h LEU 77 CO -0.20 0.75 -0.02 0.40 -0.13 0.00 0.00 178.44 179.24 2kga h ILE 78 N 0.81 1.15 -0.73 4.05 1.08 -0.77 0.14 117.51 123.23 2kga h ILE 78 Ca 0.20 -0.56 -0.00 0.00 -0.39 0.00 0.00 64.86 64.10 2kga h ILE 78 Cb 0.19 1.52 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 2kga h ILE 78 CO -0.02 0.14 0.45 0.78 -0.69 0.00 0.00 178.15 178.82 2kga h ASN 79 N -0.29 0.87 0.01 1.72 2.35 -0.67 0.26 115.58 119.82 2kga h ASN 79 Ca -0.00 -0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.53 2kga h ASN 79 Cb 0.27 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 2kga h ASN 79 CO 0.01 0.66 -0.61 1.23 -1.65 0.00 0.00 177.43 177.07 2kga h GLY 80 N 1.03 0.65 1.40 2.83 0.00 -0.85 -3.18 103.07 104.95 2kga h GLY 80 Ca 0.27 -0.81 -0.20 0.00 0.00 0.00 0.00 47.33 46.60 2kga h GLY 80 CO -0.05 0.72 -0.71 0.00 0.00 0.00 0.00 176.54 176.50 2kga h ALA 81 N 0.88 0.50 -0.45 3.60 0.00 0.09 -3.20 119.26 120.69 2kga h ALA 81 Ca -0.00 -0.58 0.06 0.00 0.00 0.00 0.00 54.91 54.39 2kga h ALA 81 Cb 1.17 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2kga h ALA 81 CO 0.12 0.72 0.30 -0.07 0.00 0.00 0.00 179.25 180.32 2kga h LEU 82 N 0.42 0.29 -1.82 0.00 3.38 -0.51 0.24 115.31 117.31 2kga h LEU 82 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2kga h LEU 82 Cb 1.30 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 2kga h LEU 82 CO 0.13 0.19 -0.09 0.00 0.09 0.00 0.00 178.44 178.77 2kga h ALA 83 N 1.76 1.85 -0.46 1.53 0.00 -1.54 -1.85 119.26 120.54 2kga h ALA 83 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2kga h ALA 83 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kga h ALA 83 CO -0.05 0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.71 2kga n GLU 84 N -4.43 3.06 0.05 0.00 1.02 -0.00 -4.26 120.64 116.08 2kga n GLU 84 Ca -0.03 -2.48 0.13 0.00 -0.02 0.00 0.00 57.16 54.77 2kga n GLU 84 Cb 0.17 -1.56 0.52 0.00 -0.02 0.00 0.00 31.44 30.55 2kga n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kga n ALA 85 N 0.66 2.29 -0.87 0.62 0.00 -0.70 -5.09 120.51 117.43 2kga n ALA 85 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2kga n ALA 85 Cb 0.64 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2kga n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50