#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 0.00 -3.15 3.17 0.00 -1.26 -4.92 120.51 114.35 2kga n ALA 2 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2kga n ALA 2 Cb 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 2kga n ALA 2 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2kga s THR 3 N -2.31 -0.97 0.17 0.00 -1.32 -1.26 -5.15 115.64 104.80 2kga s THR 3 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2kga s THR 3 Cb 0.00 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 2kga s THR 3 CO 0.00 0.00 0.00 0.18 -2.21 0.00 0.00 174.62 172.59 2kga n LEU 4 N 5.42 -0.35 -4.74 9.08 4.77 -1.26 -4.80 117.00 125.12 2kga n LEU 4 Ca 0.01 0.78 -0.38 0.00 -0.03 0.00 0.00 56.01 56.40 2kga n LEU 4 Cb 0.52 -2.11 -0.06 0.00 -2.33 0.00 0.00 43.42 39.44 2kga n LEU 4 CO -0.01 -1.79 0.15 -0.22 -1.33 0.00 0.00 177.39 174.20 2kga s LEU 5 N -4.77 4.30 0.51 2.23 2.96 -1.26 -4.95 118.68 117.70 2kga s LEU 5 Ca 0.00 0.81 0.09 0.00 -0.22 0.00 0.00 54.13 54.81 2kga s LEU 5 Cb 0.00 -2.66 0.05 0.00 0.50 0.00 0.00 46.19 44.08 2kga s LEU 5 CO 0.00 0.05 0.66 0.42 -1.32 0.00 0.00 176.35 176.15 2kga s THR 6 N 0.41 2.44 0.11 3.68 -4.23 -1.26 -4.94 115.64 111.85 2kga s THR 6 Ca 0.25 -1.06 -0.28 0.00 -1.18 0.00 0.00 61.69 59.42 2kga s THR 6 Cb -0.15 -2.50 -0.09 0.00 1.34 0.00 0.00 72.50 71.10 2kga s THR 6 CO 0.10 0.00 1.63 0.74 -0.54 0.00 0.00 174.62 176.55 2kga h THR 7 N 0.44 0.36 -0.96 3.99 2.02 -1.99 -1.39 112.91 115.38 2kga h THR 7 Ca -0.35 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.86 2kga h THR 7 Cb 1.29 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 2kga h THR 7 CO 0.45 0.00 0.63 0.44 0.37 0.00 0.00 175.52 177.40 2kga h ASP 8 N -0.52 1.06 -0.04 4.18 3.32 -1.95 -0.21 116.42 122.26 2kga h ASP 8 Ca 0.03 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2kga h ASP 8 Cb 0.54 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2kga h ASP 8 CO -0.17 0.74 0.01 -0.78 -1.72 0.00 0.00 179.24 177.33 2kga h ASP 9 N 1.24 0.06 -0.56 6.45 1.82 -1.87 -2.55 116.42 121.01 2kga h ASP 9 Ca 0.37 -0.25 -0.07 0.00 -0.39 0.00 0.00 57.03 56.69 2kga h ASP 9 Cb -0.06 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 39.92 2kga h ASP 9 CO -0.10 0.29 0.08 0.25 -1.61 0.00 0.00 179.24 178.15 2kga h LEU 10 N -0.18 0.91 -0.74 2.28 5.85 -1.07 -2.80 115.31 119.55 2kga h LEU 10 Ca 0.01 -0.26 0.15 0.00 0.84 0.00 0.00 57.88 58.62 2kga h LEU 10 Cb 0.26 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 40.95 2kga h LEU 10 CO 0.00 0.94 0.24 -0.09 -0.34 0.00 0.00 178.44 179.19 2kga h ARG 11 N 0.83 0.34 0.13 1.25 2.43 -0.87 -0.84 114.38 117.64 2kga h ARG 11 Ca 0.17 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2kga h ARG 11 Cb 0.43 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2kga h ARG 11 CO 0.01 0.23 -0.16 0.00 -1.51 0.00 0.00 179.97 178.53 2kga h ARG 12 N 0.35 -0.33 -0.45 0.20 3.08 -1.18 -0.03 114.38 116.03 2kga h ARG 12 Ca 0.42 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.43 2kga h ARG 12 Cb 0.68 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 2kga h ARG 12 CO -0.46 -0.22 0.04 0.00 -1.07 0.00 0.00 179.97 178.26 2kga h ALA 13 N 0.49 1.23 0.07 0.04 0.00 -1.34 -1.08 119.26 118.66 2kga h ALA 13 Ca 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kga h ALA 13 Cb 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kga h ALA 13 CO -0.07 0.51 -0.03 -0.07 0.00 0.00 0.00 179.25 179.59 2kga h LEU 14 N 0.67 -0.08 -1.23 0.00 3.38 -0.91 -3.01 115.31 114.13 2kga h LEU 14 Ca 0.14 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2kga h LEU 14 Cb 0.36 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2kga h LEU 14 CO 0.01 0.26 0.00 1.62 0.09 0.00 0.00 178.44 180.42 2kga h VAL 15 N -0.42 0.00 -0.20 1.22 3.04 -0.68 -0.88 116.25 118.33 2kga h VAL 15 Ca -0.01 -0.25 -0.14 0.00 -1.01 0.00 0.00 66.70 65.30 2kga h VAL 15 Cb 0.37 1.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.67 2kga h VAL 15 CO 0.02 0.00 -0.45 -0.33 -1.01 0.00 0.00 177.57 175.80 2kga h GLU 16 N 0.00 0.50 0.00 4.17 5.08 -1.07 -3.33 114.58 119.92 2kga h GLU 16 Ca 0.00 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2kga h GLU 16 Cb 0.31 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2kga h GLU 16 CO 0.00 0.85 -0.07 0.77 -1.00 0.00 0.00 179.01 179.56 2kga h SER 17 N 0.40 0.00 -1.07 1.42 0.02 -1.15 -3.42 113.55 109.76 2kga h SER 17 Ca 0.03 -0.01 -0.58 0.00 -0.84 0.00 0.00 61.79 60.39 2kga h SER 17 Cb 0.95 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.39 2kga h SER 17 CO 0.08 0.54 1.48 0.00 -1.14 0.00 0.00 176.83 177.79 2kga s ALA 18 N -2.57 2.66 -0.01 3.77 0.00 -0.56 -4.90 121.76 120.15 2kga s ALA 18 Ca -0.02 -2.24 0.01 0.00 0.00 0.00 0.00 51.96 49.71 2kga s ALA 18 Cb 0.00 -4.54 -0.00 0.00 0.00 0.00 0.00 23.12 18.58 2kga s ALA 18 CO 0.04 -3.70 -0.04 0.20 0.00 0.00 0.00 175.76 172.25 2kga s GLY 19 N 5.17 0.23 -0.05 0.00 0.00 -1.26 -4.70 107.32 106.71 2kga s GLY 19 Ca 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 45.03 2kga s GLY 19 CO -0.08 -0.11 0.00 1.18 0.00 0.00 0.00 173.10 174.09 2kga n GLU 20 N 3.06 -0.06 -3.02 2.90 -0.58 -1.26 -4.88 120.64 116.80 2kga n GLU 20 Ca -0.14 0.30 -0.15 0.00 -0.42 0.00 0.00 57.16 56.75 2kga n GLU 20 Cb 0.58 -3.62 0.01 0.00 -0.57 0.00 0.00 31.44 27.84 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 -2.97 -0.16 -3.68 2.62 -1.04 -1.26 -5.12 114.28 102.66 2kga n THR 21 Ca -0.00 -3.39 -0.24 0.00 -2.04 0.00 0.00 64.05 58.38 2kga n THR 21 Cb 0.02 0.21 -0.01 0.00 -1.82 0.00 0.00 70.33 68.74 2kga n THR 21 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2kga s ASP 22 N -1.90 4.81 0.00 8.00 1.11 -1.26 -4.77 116.67 122.66 2kga s ASP 22 Ca 0.33 -1.04 0.00 0.00 0.18 0.00 0.00 52.55 52.03 2kga s ASP 22 Cb 0.31 0.07 0.00 0.00 1.07 0.00 0.00 42.92 44.36 2kga s ASP 22 CO -0.08 -0.98 0.00 0.61 1.18 0.00 0.00 175.17 175.90 2kga n GLY 23 N -1.74 1.70 0.00 0.21 0.00 -1.26 -5.10 105.19 99.00 2kga n GLY 23 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.15 0.00 -1.43 2.61 -2.24 -1.26 -4.99 114.28 106.81 2kga n THR 24 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 2kga n THR 24 Cb 0.00 -1.43 0.12 0.00 -2.10 0.00 0.00 70.33 66.92 2kga n THR 24 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2kga n ASP 25 N -2.65 5.16 -0.30 3.42 2.03 -1.26 -4.58 116.55 118.37 2kga n ASP 25 Ca 0.00 -3.74 -0.03 0.00 0.52 0.00 0.00 54.79 51.54 2kga n ASP 25 Cb 0.00 -0.78 0.12 0.00 -0.72 0.00 0.00 41.12 39.74 2kga n ASP 25 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2kga h LEU 26 N 1.55 1.06 -7.91 -2.67 5.85 -1.90 -3.13 115.31 108.16 2kga h LEU 26 Ca 0.51 -0.10 -0.70 0.00 0.84 0.00 0.00 57.88 58.42 2kga h LEU 26 Cb 1.65 -0.27 -0.18 0.00 0.37 0.00 0.00 40.66 42.23 2kga h LEU 26 CO 1.10 0.86 0.95 -0.44 -0.34 0.00 0.00 178.44 180.57 2kga s SER 27 N -6.30 6.74 0.00 1.25 0.01 -1.26 -4.65 113.70 109.49 2kga s SER 27 Ca -0.12 -2.28 0.00 0.00 1.31 0.00 0.00 55.95 54.86 2kga s SER 27 Cb 0.17 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 64.00 2kga s SER 27 CO 0.82 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2kga n GLY 28 N 5.15 -0.75 2.85 3.44 0.00 -1.19 -5.06 105.19 109.63 2kga n GLY 28 Ca 0.27 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 46.24 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 4.29 0.00 1.61 2.15 -1.19 -4.93 116.67 114.59 2kga s ASP 29 Ca 0.00 -1.97 0.07 0.00 0.43 0.00 0.00 52.55 51.08 2kga s ASP 29 Cb 0.00 -1.19 -0.00 0.00 -0.30 0.00 0.00 42.92 41.43 2kga s ASP 29 CO 0.00 -0.38 0.54 2.22 -0.17 0.00 0.00 175.17 177.37 2kga n PHE 30 N 4.45 0.00 -0.28 -5.34 1.16 -1.26 -4.81 117.46 111.38 2kga n PHE 30 Ca 0.01 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.68 2kga n PHE 30 Cb 0.41 0.00 0.23 0.00 -1.61 0.00 0.00 39.48 38.51 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 0.82 0.30 -2.12 5.98 3.38 -1.94 -1.33 115.31 120.40 2kga h LEU 31 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2kga h LEU 31 Cb 0.25 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2kga h LEU 31 CO 0.00 0.07 0.00 -0.90 0.09 0.00 0.00 178.44 177.70 2kga n ASP 32 N -5.02 2.93 -4.82 -0.43 5.75 -1.26 -2.60 116.55 111.09 2kga n ASP 32 Ca 0.17 -1.86 -0.35 0.00 -0.01 0.00 0.00 54.79 52.75 2kga n ASP 32 Cb 0.51 -0.14 -0.06 0.00 -1.03 0.00 0.00 41.12 40.39 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 -1.36 4.19 0.25 -2.12 1.43 -0.50 -4.99 118.68 115.57 2kga s LEU 33 Ca 0.28 1.48 -0.22 0.00 -1.03 0.00 0.00 54.13 54.64 2kga s LEU 33 Cb 0.17 -3.97 -0.09 0.00 0.03 0.00 0.00 46.19 42.34 2kga s LEU 33 CO 0.25 -0.12 0.80 -0.13 0.23 0.00 0.00 176.35 177.37 2kga s ARG 34 N -2.51 4.38 0.34 1.70 1.81 -1.26 -4.21 118.95 119.21 2kga s ARG 34 Ca 0.51 1.04 0.10 0.00 -1.72 0.00 0.00 55.73 55.66 2kga s ARG 34 Cb -0.14 -2.89 0.87 0.00 -0.45 0.00 0.00 34.95 32.34 2kga s ARG 34 CO 0.19 0.37 1.80 0.74 -0.68 0.00 0.00 175.30 177.72 2kga h PHE 35 N 3.42 0.88 -0.73 -0.53 0.04 -1.55 -0.06 116.94 118.42 2kga h PHE 35 Ca -0.47 0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.41 2kga h PHE 35 Cb 1.19 -0.27 -0.07 0.00 2.20 0.00 0.00 35.95 39.01 2kga h PHE 35 CO 0.63 0.20 0.38 0.93 -0.60 0.00 0.00 178.31 179.85 2kga h GLU 36 N 0.64 0.63 0.00 1.51 5.08 -1.83 0.23 114.58 120.83 2kga h GLU 36 Ca 0.55 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 2kga h GLU 36 Cb 1.02 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2kga h GLU 36 CO -0.31 0.41 -0.49 -0.40 -1.00 0.00 0.00 179.01 177.23 2kga n ASP 37 N -4.83 0.56 -1.20 1.42 5.68 -0.13 -3.33 116.55 114.71 2kga n ASP 37 Ca 0.11 0.04 0.10 0.00 -0.50 0.00 0.00 54.79 54.54 2kga n ASP 37 Cb 0.26 0.08 0.28 0.00 -1.14 0.00 0.00 41.12 40.61 2kga n ASP 37 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 2kga n ILE 38 N -1.83 0.96 -0.46 2.12 -5.35 -0.62 -4.92 119.36 109.27 2kga n ILE 38 Ca 0.05 -0.87 0.00 0.00 -0.27 0.00 0.00 62.75 61.66 2kga n ILE 38 Cb 0.39 0.36 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 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 1.42 0.74 3.65 3.28 0.00 -1.04 -4.81 105.19 108.41 2kga n GLY 39 Ca 0.21 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 3.30 0.30 1.61 1.51 0.77 -5.02 117.35 117.82 2kga s TYR 40 Ca 0.00 0.28 -0.08 0.00 -1.01 0.00 0.00 57.07 56.26 2kga s TYR 40 Cb 0.00 -2.35 -0.06 0.00 -0.11 0.00 0.00 41.96 39.44 2kga s TYR 40 CO 0.00 -0.01 0.60 -0.51 -1.11 0.00 0.00 175.55 174.53 2kga s ASP 41 N 1.22 6.53 0.41 2.29 1.01 -1.26 -3.84 116.67 123.02 2kga s ASP 41 Ca 0.10 0.88 0.16 0.00 0.71 0.00 0.00 52.55 54.40 2kga s ASP 41 Cb -0.14 -2.21 1.04 0.00 1.01 0.00 0.00 42.92 42.61 2kga s ASP 41 CO 0.07 -0.20 1.87 0.77 0.21 0.00 0.00 175.17 177.88 2kga h SER 42 N 1.87 0.44 -0.11 0.27 4.64 -1.97 -0.67 113.55 118.01 2kga h SER 42 Ca -0.47 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 2kga h SER 42 Cb 1.18 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 2kga h SER 42 CO 0.66 0.19 0.05 0.25 -0.87 0.00 0.00 176.83 177.11 2kga h LEU 43 N 0.45 0.16 -1.51 5.97 7.12 -2.00 -1.61 115.31 123.88 2kga h LEU 43 Ca 0.44 -0.16 -0.05 0.00 0.13 0.00 0.00 57.88 58.24 2kga h LEU 43 Cb 1.03 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 41.11 2kga h LEU 43 CO -0.17 0.28 -0.24 0.00 -0.13 0.00 0.00 178.44 178.18 2kga h ALA 44 N 0.89 1.31 -0.39 1.25 0.00 -1.59 -2.03 119.26 118.69 2kga h ALA 44 Ca 0.04 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2kga h ALA 44 Cb 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2kga h ALA 44 CO -0.00 0.30 -0.03 1.25 0.00 0.00 0.00 179.25 180.77 2kga h LEU 45 N 0.00 0.69 -1.01 0.00 5.85 -0.69 -1.40 115.31 118.74 2kga h LEU 45 Ca -0.00 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.31 2kga h LEU 45 Cb 0.53 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2kga h LEU 45 CO 0.03 0.85 -0.24 0.00 -0.34 0.00 0.00 178.44 178.74 2kga h MET 46 N 0.52 0.43 -0.17 1.25 -0.00 -0.63 0.19 114.93 116.52 2kga h MET 46 Ca 0.11 -0.15 -0.00 0.00 -0.00 0.00 0.00 59.70 59.65 2kga h MET 46 Cb 0.51 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.07 2kga h MET 46 CO 0.02 0.64 0.09 0.93 -0.00 0.00 0.00 176.91 178.59 2kga h GLU 47 N 0.38 0.24 0.13 -0.10 5.08 -1.18 0.76 114.58 119.89 2kga h GLU 47 Ca 0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2kga h GLU 47 Cb 0.63 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2kga h GLU 47 CO 0.04 0.25 -0.06 1.15 -1.00 0.00 0.00 179.01 179.39 2kga h THR 48 N 0.17 0.92 -0.57 1.13 2.02 -0.99 -2.08 112.91 113.50 2kga h THR 48 Ca 0.06 -0.19 0.08 0.00 0.77 0.00 0.00 66.41 67.13 2kga h THR 48 Cb 0.08 1.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 2kga h THR 48 CO -0.01 0.05 0.24 0.00 0.37 0.00 0.00 175.52 176.17 2kga h ALA 49 N 0.60 0.74 -0.60 6.16 0.00 -0.72 0.02 119.26 125.46 2kga h ALA 49 Ca -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2kga h ALA 49 Cb 0.21 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2kga h ALA 49 CO 0.03 -0.15 0.35 0.00 0.00 0.00 0.00 179.25 179.48 2kga h ALA 50 N 1.37 0.76 -0.47 0.00 0.00 -0.77 -0.97 119.26 119.17 2kga h ALA 50 Ca 0.28 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2kga h ALA 50 Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2kga h ALA 50 CO -0.25 0.25 0.04 -0.09 0.00 0.00 0.00 179.25 179.20 2kga h ARG 51 N 0.81 0.76 -0.40 0.00 2.43 -0.61 -1.10 114.38 116.26 2kga h ARG 51 Ca 0.21 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2kga h ARG 51 Cb -0.00 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2kga h ARG 51 CO -0.04 0.74 0.16 -0.07 -1.51 0.00 0.00 179.97 179.25 2kga h LEU 52 N 0.72 0.56 -0.36 3.80 3.38 -0.42 0.28 115.31 123.27 2kga h LEU 52 Ca 0.15 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2kga h LEU 52 Cb 0.38 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2kga h LEU 52 CO 0.01 0.57 0.22 -0.33 0.09 0.00 0.00 178.44 179.00 2kga h GLU 53 N 0.50 0.44 0.55 1.13 5.08 -0.77 0.08 114.58 121.59 2kga h GLU 53 Ca 0.13 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2kga h GLU 53 Cb 0.19 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2kga h GLU 53 CO -0.01 0.29 -0.27 0.77 -1.00 0.00 0.00 179.01 178.79 2kga h SER 54 N 0.45 -0.63 -0.04 1.42 0.02 -0.94 -1.91 113.55 111.92 2kga h SER 54 Ca 0.14 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2kga h SER 54 Cb -0.02 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 2kga h SER 54 CO -0.05 -0.35 -0.00 -0.09 -1.14 0.00 0.00 176.83 175.19 2kga h ARG 55 N -0.88 0.07 -0.02 3.45 2.43 -0.36 -3.21 114.38 115.86 2kga h ARG 55 Ca -0.08 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2kga h ARG 55 Cb 0.62 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2kga h ARG 55 CO 0.12 0.37 -0.11 0.66 -1.51 0.00 0.00 179.97 179.51 2kga n TYR 56 N -4.88 0.00 -3.13 2.20 4.01 0.01 -4.93 117.16 110.43 2kga n TYR 56 Ca -0.07 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.52 2kga n TYR 56 Cb 0.19 -0.03 0.06 0.00 -0.31 0.00 0.00 39.34 39.24 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 1.27 -0.06 3.83 2.72 0.00 -0.77 -5.00 105.19 107.18 2kga n GLY 57 Ca 0.15 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.22 2.12 -0.14 1.61 -7.23 -0.87 -4.98 120.40 107.69 2kga s VAL 58 Ca 0.26 -1.56 -0.03 0.00 -1.81 0.00 0.00 61.98 58.83 2kga s VAL 58 Cb -0.11 -2.68 0.05 0.00 0.56 0.00 0.00 36.38 34.20 2kga s VAL 58 CO 0.48 0.00 0.05 -0.44 -0.31 0.00 0.00 175.10 174.89 2kga s SER 59 N -4.08 2.17 -0.25 4.85 0.01 -1.26 -4.56 113.70 110.58 2kga s SER 59 Ca 0.39 -0.47 -0.20 0.00 1.31 0.00 0.00 55.95 56.98 2kga s SER 59 Cb 0.00 -0.36 -0.02 0.00 0.21 0.00 0.00 66.02 65.85 2kga s SER 59 CO 0.22 -0.29 0.63 -0.63 0.41 0.00 0.00 173.24 173.58 2kga s ILE 60 N 2.04 4.99 0.40 1.44 1.01 -1.26 -4.99 121.20 124.83 2kga s ILE 60 Ca 0.02 1.14 -0.26 0.00 0.00 0.00 0.00 60.65 61.55 2kga s ILE 60 Cb -0.15 -3.94 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 2kga s ILE 60 CO -0.07 0.04 1.30 -2.84 0.00 0.00 0.00 174.94 173.37 2kga s PRO 61 N 2.41 4.00 0.35 2.79 0.02 -1.26 -4.88 135.00 138.43 2kga s PRO 61 Ca 0.27 2.14 0.05 0.00 0.02 0.00 0.00 61.00 63.48 2kga s PRO 61 Cb -0.16 -2.77 0.70 0.00 0.02 0.00 0.00 34.50 32.30 2kga s PRO 61 CO 0.09 -0.46 1.95 0.22 -0.33 0.00 0.00 177.00 178.46 2kga h ASP 62 N 2.72 0.71 0.66 2.53 1.82 -1.99 -0.06 116.42 122.81 2kga h ASP 62 Ca -0.49 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.04 2kga h ASP 62 Cb 1.24 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 41.09 2kga h ASP 62 CO 0.63 0.46 -0.55 0.44 -1.61 0.00 0.00 179.24 178.61 2kga h ASP 63 N 0.80 0.00 0.49 2.28 5.19 -1.99 -2.87 116.42 120.32 2kga h ASP 63 Ca 0.33 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.44 2kga h ASP 63 Cb 0.26 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.79 2kga h ASP 63 CO -0.11 0.55 -1.35 0.58 -3.12 0.00 0.00 179.24 175.78 2kga h VAL 64 N 0.00 1.40 -0.01 -1.35 2.07 -1.46 -3.16 116.25 113.74 2kga h VAL 64 Ca -0.01 -2.92 0.00 0.00 0.82 0.00 0.00 66.70 64.60 2kga h VAL 64 Cb 1.02 2.97 -0.00 0.00 -1.52 0.00 0.00 31.29 33.77 2kga h VAL 64 CO 0.07 0.86 0.01 0.00 0.02 0.00 0.00 177.57 178.54 2kga h ALA 65 N 0.42 1.75 -0.17 1.67 0.00 -0.89 -1.04 119.26 120.99 2kga h ALA 65 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kga h ALA 65 Cb 2.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2kga h ALA 65 CO 0.23 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.87 2kga n GLY 66 N -1.42 1.25 0.11 0.00 0.00 -1.16 -4.14 105.19 99.83 2kga n GLY 66 Ca -0.03 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 1.37 1.53 -2.86 1.61 1.85 -0.41 -4.80 116.66 114.94 2kga n ARG 67 Ca 0.16 -0.25 -0.44 0.00 -1.00 0.00 0.00 57.85 56.33 2kga n ARG 67 Cb 0.59 -1.30 -0.01 0.00 -1.05 0.00 0.00 32.46 30.69 2kga n ARG 67 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2kga s VAL 68 N -2.42 4.75 -0.18 8.89 0.11 -1.10 -4.61 120.40 125.84 2kga s VAL 68 Ca 0.09 -2.14 0.21 0.00 -2.93 0.00 0.00 61.98 57.21 2kga s VAL 68 Cb 0.13 -4.93 -0.08 0.00 -1.53 0.00 0.00 36.38 29.97 2kga s VAL 68 CO 0.61 -1.67 0.90 -0.90 -3.33 0.00 0.00 175.10 170.72 2kga n ASP 69 N 6.49 0.71 -4.30 3.54 5.75 -1.26 -4.87 116.55 122.61 2kga n ASP 69 Ca 0.35 0.28 -0.31 0.00 -0.01 0.00 0.00 54.79 55.10 2kga n ASP 69 Cb 0.45 0.64 -0.16 0.00 -1.03 0.00 0.00 41.12 41.03 2kga n ASP 69 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2kga s THR 70 N -3.30 2.03 0.61 2.12 -4.23 -1.26 -1.34 115.64 110.26 2kga s THR 70 Ca -0.02 -1.09 0.30 0.00 -1.18 0.00 0.00 61.69 59.69 2kga s THR 70 Cb 0.10 -1.68 0.36 0.00 1.34 0.00 0.00 72.50 72.62 2kga s THR 70 CO 0.81 0.57 2.01 -0.65 -0.54 0.00 0.00 174.62 176.82 2kga h PRO 71 N 5.57 0.00 -0.68 3.99 0.11 -1.72 -0.88 132.00 138.39 2kga h PRO 71 Ca -0.41 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.82 2kga h PRO 71 Cb 1.13 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.15 2kga h PRO 71 CO 0.47 0.00 0.23 -0.09 -0.21 0.00 0.00 178.00 178.40 2kga h ARG 72 N 0.00 0.37 -0.50 1.05 2.43 -1.83 0.21 114.38 116.12 2kga h ARG 72 Ca 0.11 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2kga h ARG 72 Cb 0.74 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2kga h ARG 72 CO -0.00 0.24 0.02 0.93 -1.51 0.00 0.00 179.97 179.66 2kga h GLU 73 N 0.38 0.82 -0.04 0.20 4.39 -1.47 -0.36 114.58 118.49 2kga h GLU 73 Ca 0.36 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 2kga h GLU 73 Cb 0.53 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2kga h GLU 73 CO -0.38 0.81 -0.01 1.25 -1.16 0.00 0.00 179.01 179.51 2kga h LEU 74 N 0.77 0.08 -0.30 1.33 7.12 -1.37 -1.06 115.31 121.87 2kga h LEU 74 Ca 0.15 -0.38 0.06 0.00 0.13 0.00 0.00 57.88 57.84 2kga h LEU 74 Cb 0.43 -0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.49 2kga h LEU 74 CO 0.02 0.45 -0.04 0.25 -0.13 0.00 0.00 178.44 178.98 2kga h LEU 75 N -0.28 -0.21 -0.72 2.25 5.85 -0.36 -0.28 115.31 121.55 2kga h LEU 75 Ca 0.01 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2kga h LEU 75 Cb 0.41 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 2kga h LEU 75 CO 0.00 -0.07 0.44 -0.78 -0.34 0.00 0.00 178.44 177.69 2kga h ASP 76 N 0.04 0.69 -0.38 1.25 3.58 -0.98 0.34 116.42 120.95 2kga h ASP 76 Ca 0.15 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 2kga h ASP 76 Cb 0.21 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2kga h ASP 76 CO -0.28 0.46 0.12 0.25 -2.88 0.00 0.00 179.24 176.91 2kga h LEU 77 N 0.82 0.56 -0.42 2.28 7.12 -0.21 0.83 115.31 126.29 2kga h LEU 77 Ca 0.31 -0.20 -0.05 0.00 0.13 0.00 0.00 57.88 58.06 2kga h LEU 77 Cb 0.11 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.08 2kga h LEU 77 CO -0.15 0.61 0.05 0.40 -0.13 0.00 0.00 178.44 179.23 2kga h ILE 78 N 0.47 1.25 -0.69 4.05 1.08 -0.65 0.15 117.51 123.17 2kga h ILE 78 Ca 0.12 -0.91 -0.03 0.00 -0.39 0.00 0.00 64.86 63.65 2kga h ILE 78 Cb 0.25 1.03 -0.03 0.00 -3.07 0.00 0.00 36.82 35.00 2kga h ILE 78 CO -0.00 0.31 0.29 0.78 -0.69 0.00 0.00 178.15 178.84 2kga h ASN 79 N 0.55 0.92 -0.50 1.72 2.35 -0.76 0.32 115.58 120.18 2kga h ASN 79 Ca 0.12 -0.12 -0.13 0.00 -0.55 0.00 0.00 56.30 55.63 2kga h ASN 79 Cb 0.40 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2kga h ASN 79 CO 0.01 0.81 -0.19 1.23 -1.65 0.00 0.00 177.43 177.64 2kga h GLY 80 N 1.06 1.09 1.18 2.83 0.00 -0.39 -1.49 103.07 107.34 2kga h GLY 80 Ca 0.23 -0.94 -0.16 0.00 0.00 0.00 0.00 47.33 46.46 2kga h GLY 80 CO -0.02 0.86 -0.43 0.00 0.00 0.00 0.00 176.54 176.94 2kga h ALA 81 N 0.88 0.58 -0.47 3.60 0.00 -0.11 -1.06 119.26 122.67 2kga h ALA 81 Ca 0.12 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2kga h ALA 81 Cb 0.76 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2kga h ALA 81 CO 0.06 0.68 0.16 -0.07 0.00 0.00 0.00 179.25 180.08 2kga h LEU 82 N 0.71 0.68 -1.18 0.00 3.38 -0.30 0.22 115.31 118.82 2kga h LEU 82 Ca 0.05 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 2kga h LEU 82 Cb 1.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2kga h LEU 82 CO 0.10 0.69 -0.04 0.00 0.09 0.00 0.00 178.44 179.28 2kga h ALA 83 N 1.01 1.32 0.01 1.53 0.00 -1.16 -2.76 119.26 119.22 2kga h ALA 83 Ca 0.15 -0.22 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 2kga h ALA 83 Cb 0.25 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2kga h ALA 83 CO -0.01 0.46 -0.99 1.49 0.00 0.00 0.00 179.25 180.21 2kga h GLU 84 N 0.49 0.44 -6.66 0.00 4.57 -0.80 -3.44 114.58 109.18 2kga h GLU 84 Ca 0.10 -0.49 -0.52 0.00 -1.18 0.00 0.00 59.36 57.27 2kga h GLU 84 Cb 0.39 0.15 0.01 0.00 -0.16 0.00 0.00 28.75 29.13 2kga h GLU 84 CO 0.02 1.15 0.51 0.00 -1.18 0.00 0.00 179.01 179.51 2kga s ALA 85 N -3.22 3.40 0.00 2.92 0.00 0.75 -5.08 121.76 120.53 2kga s ALA 85 Ca -0.06 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2kga s ALA 85 Cb 0.08 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2kga s ALA 85 CO 0.88 -0.28 0.09 0.00 0.00 0.00 0.00 175.76 176.44