#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 3.07 -0.55 3.17 0.00 -1.26 -5.05 121.76 121.14 2kga s ALA 2 Ca 0.00 -0.82 -0.28 0.00 0.00 0.00 0.00 51.96 50.86 2kga s ALA 2 Cb 0.00 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.60 2kga s ALA 2 CO 0.00 0.31 1.40 0.99 0.00 0.00 0.00 175.76 178.47 2kga s THR 3 N 0.04 3.81 0.40 0.00 2.01 -1.26 -4.98 115.64 115.65 2kga s THR 3 Ca 0.01 0.70 0.06 0.00 0.31 0.00 0.00 61.69 62.77 2kga s THR 3 Cb -0.13 -4.43 0.00 0.00 0.01 0.00 0.00 72.50 67.95 2kga s THR 3 CO 0.02 -1.14 0.56 -0.76 -0.69 0.00 0.00 174.62 172.61 2kga s LEU 4 N 5.97 3.76 -0.10 4.42 1.43 -1.26 -4.62 118.68 128.27 2kga s LEU 4 Ca 0.53 -0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 53.25 2kga s LEU 4 Cb -0.11 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 2kga s LEU 4 CO 0.26 -0.64 0.49 -0.22 0.23 0.00 0.00 176.35 176.46 2kga s LEU 5 N -4.34 4.30 0.00 1.79 2.96 -1.26 -5.07 118.68 117.07 2kga s LEU 5 Ca 0.50 0.87 0.09 0.00 -0.22 0.00 0.00 54.13 55.37 2kga s LEU 5 Cb -0.10 -2.72 0.09 0.00 0.50 0.00 0.00 46.19 43.95 2kga s LEU 5 CO 0.33 0.03 0.72 0.35 -1.32 0.00 0.00 176.35 176.45 2kga n THR 6 N 3.47 0.00 0.11 3.68 -2.24 -1.26 -4.91 114.28 113.13 2kga n THR 6 Ca -0.07 -2.00 -0.13 0.00 -2.27 0.00 0.00 64.05 59.58 2kga n THR 6 Cb 0.52 -0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 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 0.23 0.41 -0.63 4.28 2.02 -1.98 0.94 112.91 118.18 2kga h THR 7 Ca -0.29 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.93 2kga h THR 7 Cb 1.26 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 68.04 2kga h THR 7 CO 0.43 0.00 0.37 -0.78 0.37 0.00 0.00 175.52 175.91 2kga h ASP 8 N -0.47 0.58 -0.46 4.18 3.58 -1.98 0.37 116.42 122.22 2kga h ASP 8 Ca 0.03 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.41 2kga h ASP 8 Cb 0.50 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 2kga h ASP 8 CO -0.16 0.39 -0.02 0.44 -2.88 0.00 0.00 179.24 177.02 2kga h ASP 9 N 0.71 0.86 0.17 2.28 3.32 -1.85 0.21 116.42 122.11 2kga h ASP 9 Ca 0.27 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2kga h ASP 9 Cb 0.09 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2kga h ASP 9 CO -0.13 0.93 -0.08 0.25 -1.72 0.00 0.00 179.24 178.49 2kga h LEU 10 N 0.82 -0.19 -0.47 1.55 5.85 -0.37 -2.64 115.31 119.86 2kga h LEU 10 Ca 0.15 -0.26 0.09 0.00 0.84 0.00 0.00 57.88 58.70 2kga h LEU 10 Cb 0.51 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 2kga h LEU 10 CO 0.03 0.18 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.21 2kga h ARG 11 N -0.59 0.10 -0.14 1.25 2.43 0.11 0.08 114.38 117.63 2kga h ARG 11 Ca -0.02 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2kga h ARG 11 Cb 0.44 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2kga h ARG 11 CO 0.04 0.07 -0.01 0.00 -1.51 0.00 0.00 179.97 178.55 2kga h ARG 12 N 0.11 0.03 -0.73 0.20 3.08 -0.63 0.36 114.38 116.79 2kga h ARG 12 Ca 0.23 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 2kga h ARG 12 Cb 0.35 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2kga h ARG 12 CO -0.40 0.02 0.30 0.00 -1.07 0.00 0.00 179.97 178.83 2kga h ALA 13 N 1.13 0.95 -0.16 0.04 0.00 -1.00 0.54 119.26 120.76 2kga h ALA 13 Ca 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2kga h ALA 13 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2kga h ALA 13 CO -0.13 0.57 0.02 -0.07 0.00 0.00 0.00 179.25 179.64 2kga h LEU 14 N 1.05 0.26 -0.96 0.00 -0.00 -0.73 -2.12 115.31 112.82 2kga h LEU 14 Ca 0.25 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2kga h LEU 14 Cb 0.20 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 2kga h LEU 14 CO -0.02 0.47 0.00 1.62 -0.00 0.00 0.00 178.44 180.51 2kga h VAL 15 N 0.04 0.00 0.00 1.22 3.04 0.18 0.12 116.25 120.85 2kga h VAL 15 Ca 0.05 -0.23 -0.06 0.00 -1.01 0.00 0.00 66.70 65.44 2kga h VAL 15 Cb 0.33 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 2kga h VAL 15 CO 0.00 0.00 -0.41 -0.33 -1.01 0.00 0.00 177.57 175.83 2kga h GLU 16 N 0.00 0.00 0.00 4.17 5.08 -0.59 -3.38 114.58 119.86 2kga h GLU 16 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kga h GLU 16 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2kga h GLU 16 CO 0.00 0.28 -0.15 0.77 -1.00 0.00 0.00 179.01 178.91 2kga h SER 17 N 0.00 0.00 -3.37 1.42 0.02 -0.15 -3.44 113.55 108.03 2kga h SER 17 Ca -0.01 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.38 2kga h SER 17 Cb 1.24 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.70 2kga h SER 17 CO 0.04 0.38 0.92 0.00 -1.14 0.00 0.00 176.83 177.03 2kga s ALA 18 N -2.77 3.06 0.21 3.77 0.00 -0.33 -4.50 121.76 121.19 2kga s ALA 18 Ca -0.04 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2kga s ALA 18 Cb 0.01 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2kga s ALA 18 CO 0.06 -2.50 0.00 0.41 0.00 0.00 0.00 175.76 173.73 2kga n GLY 19 N 5.00 -1.83 1.09 0.00 0.00 -1.26 -4.68 105.19 103.51 2kga n GLY 19 Ca 0.09 0.43 0.06 0.00 0.00 0.00 0.00 46.02 46.59 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 -2.90 2.71 -0.89 1.61 1.02 -1.26 -2.90 120.64 118.03 2kga n GLU 20 Ca 0.00 -1.75 -0.06 0.00 -0.02 0.00 0.00 57.16 55.34 2kga n GLU 20 Cb 0.00 -1.66 0.19 0.00 -0.02 0.00 0.00 31.44 29.94 2kga n GLU 20 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2kga n THR 21 N 0.58 2.55 -3.11 2.62 -2.24 -1.26 -4.98 114.28 108.44 2kga n THR 21 Ca 0.16 -2.93 -0.16 0.00 -2.27 0.00 0.00 64.05 58.84 2kga n THR 21 Cb 0.60 -0.39 0.02 0.00 -2.10 0.00 0.00 70.33 68.46 2kga n THR 21 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2kga n ASP 22 N -1.10 -6.91 -3.66 3.42 -0.08 -1.14 -5.05 116.55 102.03 2kga n ASP 22 Ca 0.33 0.42 -0.07 0.00 -1.51 0.00 0.00 54.79 53.97 2kga n ASP 22 Cb 0.99 -3.51 -0.08 0.00 2.34 0.00 0.00 41.12 40.86 2kga n ASP 22 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2kga s GLY 23 N -1.81 -0.49 0.18 0.27 0.00 -1.20 -4.93 107.32 99.33 2kga s GLY 23 Ca 0.22 1.87 0.02 0.00 0.00 0.00 0.00 44.72 46.82 2kga s GLY 23 CO 0.69 2.38 0.06 -1.30 0.00 0.00 0.00 173.10 174.93 2kga n THR 24 N 4.93 0.00 -1.99 0.90 -2.24 -1.26 -4.20 114.28 110.42 2kga n THR 24 Ca -0.15 -1.01 -0.18 0.00 -2.27 0.00 0.00 64.05 60.43 2kga n THR 24 Cb 0.52 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 2kga n THR 24 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kga n ASP 25 N -1.81 -5.23 -0.01 3.42 8.00 -1.26 -4.86 116.55 114.80 2kga n ASP 25 Ca -0.03 0.18 0.07 0.00 0.71 0.00 0.00 54.79 55.73 2kga n ASP 25 Cb 0.26 -4.31 -0.14 0.00 -0.02 0.00 0.00 41.12 36.91 2kga n ASP 25 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2kga n LEU 26 N -2.37 0.16 -4.52 0.64 7.94 -1.26 -4.66 117.00 112.93 2kga n LEU 26 Ca -0.20 0.06 -0.42 0.00 -1.11 0.00 0.00 56.01 54.34 2kga n LEU 26 Cb 0.63 0.07 -0.03 0.00 0.53 0.00 0.00 43.42 44.63 2kga n LEU 26 CO 0.26 0.06 1.20 -0.44 -1.11 0.00 0.00 177.39 177.36 2kga s SER 27 N -4.85 6.40 0.00 1.96 0.01 -1.26 -4.76 113.70 111.20 2kga s SER 27 Ca -0.07 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 55.90 2kga s SER 27 Cb 0.12 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2kga s SER 27 CO 0.88 -1.48 0.00 0.61 0.41 0.00 0.00 173.24 173.66 2kga n GLY 28 N 6.02 -0.68 3.65 3.44 0.00 -1.26 -5.10 105.19 111.27 2kga n GLY 28 Ca 0.19 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 6.53 0.00 1.61 2.15 -1.26 -4.85 116.67 116.86 2kga s ASP 29 Ca 0.00 0.64 0.00 0.00 0.43 0.00 0.00 52.55 53.62 2kga s ASP 29 Cb 0.00 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 2kga s ASP 29 CO 0.00 -0.21 0.00 2.22 -0.17 0.00 0.00 175.17 177.01 2kga n PHE 30 N 5.01 0.00 -0.28 -5.34 -1.74 -1.26 -4.90 117.46 108.95 2kga n PHE 30 Ca -0.04 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 56.91 2kga n PHE 30 Cb 0.50 0.01 0.21 0.00 1.52 0.00 0.00 39.48 41.71 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 0.41 -0.72 5.98 5.85 -1.96 -1.37 115.31 123.50 2kga h LEU 31 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2kga h LEU 31 Cb 0.11 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2kga h LEU 31 CO 0.00 0.17 -0.46 -0.90 -0.34 0.00 0.00 178.44 176.91 2kga n ASP 32 N -4.93 1.58 -4.80 1.25 5.75 -1.26 -2.33 116.55 111.81 2kga n ASP 32 Ca 0.16 -1.24 -0.38 0.00 -0.01 0.00 0.00 54.79 53.32 2kga n ASP 32 Cb 0.42 0.41 -0.06 0.00 -1.03 0.00 0.00 41.12 40.86 2kga n ASP 32 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2kga s LEU 33 N -2.55 4.48 0.50 -2.12 2.96 -0.52 -4.94 118.68 116.49 2kga s LEU 33 Ca 0.19 1.45 -0.18 0.00 -0.22 0.00 0.00 54.13 55.37 2kga s LEU 33 Cb 0.18 -3.30 -0.08 0.00 0.50 0.00 0.00 46.19 43.49 2kga s LEU 33 CO 0.59 0.16 0.99 -0.13 -1.32 0.00 0.00 176.35 176.63 2kga s ARG 34 N -1.46 3.95 0.28 1.98 3.00 -1.26 -4.15 118.95 121.29 2kga s ARG 34 Ca 0.37 1.06 0.02 0.00 0.00 0.00 0.00 55.73 57.18 2kga s ARG 34 Cb -0.20 -2.13 0.63 0.00 0.00 0.00 0.00 34.95 33.25 2kga s ARG 34 CO 0.22 -0.27 1.77 0.74 0.00 0.00 0.00 175.30 177.77 2kga h PHE 35 N 1.21 0.92 -0.42 -0.53 0.04 -0.96 -0.23 116.94 116.96 2kga h PHE 35 Ca -0.48 0.03 0.12 0.00 2.80 0.00 0.00 57.97 60.45 2kga h PHE 35 Cb 1.19 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 39.05 2kga h PHE 35 CO 0.62 0.21 0.34 1.05 -0.60 0.00 0.00 178.31 179.93 2kga h GLU 36 N 0.70 0.00 0.00 1.51 4.11 -1.82 0.21 114.58 119.29 2kga h GLU 36 Ca 0.52 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.76 2kga h GLU 36 Cb 0.76 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 2kga h GLU 36 CO -0.37 0.00 -1.26 -0.44 0.07 0.00 0.00 179.01 177.01 2kga h ASP 37 N 0.00 0.00 -0.71 3.06 3.32 -1.38 -3.31 116.42 117.40 2kga h ASP 37 Ca 0.20 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.05 2kga h ASP 37 Cb 0.87 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.30 2kga h ASP 37 CO -0.00 0.72 0.26 2.30 -1.72 0.00 0.00 179.24 180.80 2kga n ILE 38 N -3.05 2.81 -1.58 0.35 -5.35 -0.50 -4.90 119.36 107.15 2kga n ILE 38 Ca -0.08 -1.53 -0.09 0.00 -0.27 0.00 0.00 62.75 60.79 2kga n ILE 38 Cb 0.88 -0.38 -0.03 0.00 -1.74 0.00 0.00 39.64 38.38 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 -0.10 0.67 3.34 3.28 0.00 -0.99 -4.92 105.19 106.47 2kga n GLY 39 Ca 0.39 -0.60 -0.45 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.36 3.25 0.71 1.61 1.51 0.61 -4.95 117.35 117.72 2kga s TYR 40 Ca 0.00 -1.14 -0.03 0.00 -1.01 0.00 0.00 57.07 54.88 2kga s TYR 40 Cb 0.00 -3.50 0.10 0.00 -0.11 0.00 0.00 41.96 38.45 2kga s TYR 40 CO 0.00 -0.92 0.99 -0.51 -1.11 0.00 0.00 175.55 174.00 2kga s ASP 41 N 3.12 4.53 0.23 2.29 1.11 -1.26 -3.75 116.67 122.94 2kga s ASP 41 Ca 0.04 -0.02 -0.07 0.00 0.18 0.00 0.00 52.55 52.68 2kga s ASP 41 Cb -0.27 -0.50 0.39 0.00 1.07 0.00 0.00 42.92 43.60 2kga s ASP 41 CO 0.05 -1.74 1.68 0.77 1.18 0.00 0.00 175.17 177.11 2kga h SER 42 N -0.54 -0.06 -0.22 0.27 4.64 -1.99 0.39 113.55 116.05 2kga h SER 42 Ca -0.40 0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2kga h SER 42 Cb 1.28 0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.57 2kga h SER 42 CO 0.47 -0.05 0.12 0.25 -0.87 0.00 0.00 176.83 176.76 2kga h LEU 43 N 0.23 0.26 -1.02 5.97 5.85 -2.00 -1.95 115.31 122.66 2kga h LEU 43 Ca 0.37 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.95 2kga h LEU 43 Cb 0.61 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2kga h LEU 43 CO -0.50 0.26 -0.04 0.00 -0.34 0.00 0.00 178.44 177.82 2kga h ALA 44 N 1.02 1.19 -0.75 1.25 0.00 -1.72 -2.71 119.26 117.54 2kga h ALA 44 Ca 0.08 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2kga h ALA 44 Cb 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2kga h ALA 44 CO -0.01 0.53 0.25 -0.07 0.00 0.00 0.00 179.25 179.94 2kga h LEU 45 N 0.61 1.08 -1.10 0.00 3.38 -0.60 -1.11 115.31 117.57 2kga h LEU 45 Ca 0.12 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 2kga h LEU 45 Cb 0.45 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2kga h LEU 45 CO 0.02 1.00 -0.41 0.00 0.09 0.00 0.00 178.44 179.14 2kga h MET 46 N 1.11 0.08 0.29 1.13 -0.00 -1.08 0.15 114.93 116.62 2kga h MET 46 Ca 0.24 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.70 59.89 2kga h MET 46 Cb 0.29 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.89 2kga h MET 46 CO -0.01 0.48 -0.14 0.93 -0.00 0.00 0.00 176.91 178.17 2kga h GLU 47 N 0.07 -0.38 0.42 -0.10 5.08 -1.10 -1.44 114.58 117.12 2kga h GLU 47 Ca 0.00 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2kga h GLU 47 Cb 0.75 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 2kga h GLU 47 CO 0.06 -0.15 -0.23 1.15 -1.00 0.00 0.00 179.01 178.84 2kga h THR 48 N -0.55 0.53 -0.08 1.13 2.02 -1.03 -2.25 112.91 112.68 2kga h THR 48 Ca -0.04 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.18 2kga h THR 48 Cb 0.41 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 2kga h THR 48 CO 0.07 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 175.77 2kga h ALA 49 N -0.03 -0.17 -0.22 6.16 0.00 -0.70 0.93 119.26 125.23 2kga h ALA 49 Ca -0.05 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2kga h ALA 49 Cb 0.48 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2kga h ALA 49 CO 0.07 -0.66 -0.02 0.00 0.00 0.00 0.00 179.25 178.65 2kga h ALA 50 N 0.71 1.57 -0.15 0.00 0.00 -1.28 -1.17 119.26 118.94 2kga h ALA 50 Ca 0.08 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2kga h ALA 50 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kga h ALA 50 CO -0.23 0.32 -0.42 -0.09 0.00 0.00 0.00 179.25 178.83 2kga h ARG 51 N 0.32 0.55 -0.74 0.00 2.43 -0.74 -2.91 114.38 113.29 2kga h ARG 51 Ca 0.07 -0.39 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 2kga h ARG 51 Cb 0.25 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 2kga h ARG 51 CO 0.01 1.01 0.44 -0.07 -1.51 0.00 0.00 179.97 179.84 2kga h LEU 52 N 0.18 0.90 0.36 3.80 3.38 -0.20 0.75 115.31 124.48 2kga h LEU 52 Ca -0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2kga h LEU 52 Cb 1.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2kga h LEU 52 CO 0.09 0.71 -0.30 -0.33 0.09 0.00 0.00 178.44 178.70 2kga h GLU 53 N 1.02 -0.64 0.09 1.13 5.08 -1.24 0.43 114.58 120.45 2kga h GLU 53 Ca 0.27 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2kga h GLU 53 Cb -0.02 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2kga h GLU 53 CO -0.05 -0.43 -0.04 0.77 -1.00 0.00 0.00 179.01 178.26 2kga h SER 54 N -0.66 -0.10 0.06 1.42 0.02 -1.32 0.10 113.55 113.06 2kga h SER 54 Ca -0.03 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2kga h SER 54 Cb 0.58 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2kga h SER 54 CO -0.02 0.05 -0.03 -0.09 -1.14 0.00 0.00 176.83 175.60 2kga h ARG 55 N -0.25 -0.08 0.00 3.45 2.43 -0.82 -3.32 114.38 115.79 2kga h ARG 55 Ca -0.01 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2kga h ARG 55 Cb 0.21 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2kga h ARG 55 CO 0.02 0.29 -0.99 1.88 -1.51 0.00 0.00 179.97 179.66 2kga h TYR 56 N -0.46 0.00 -1.82 2.20 0.05 -0.98 -3.48 116.97 112.47 2kga h TYR 56 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2kga h TYR 56 Cb 0.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.15 2kga h TYR 56 CO 0.05 0.03 0.00 0.41 -1.05 0.00 0.00 178.16 177.60 2kga n GLY 57 N 1.19 0.77 3.45 3.88 0.00 -0.04 -5.00 105.19 109.43 2kga n GLY 57 Ca -0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.58 0.78 -0.22 1.61 -7.23 -0.81 -4.69 120.40 107.25 2kga s VAL 58 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2kga s VAL 58 Cb 0.00 -2.56 0.06 0.00 0.56 0.00 0.00 36.38 34.44 2kga s VAL 58 CO 0.00 0.00 -0.01 -0.44 -0.31 0.00 0.00 175.10 174.34 2kga s SER 59 N -3.50 3.44 -0.49 4.85 0.01 -1.26 -4.50 113.70 112.24 2kga s SER 59 Ca 0.31 -1.03 -0.14 0.00 1.31 0.00 0.00 55.95 56.40 2kga s SER 59 Cb 0.06 -0.92 0.10 0.00 0.21 0.00 0.00 66.02 65.46 2kga s SER 59 CO 0.15 -0.27 0.41 -0.63 0.41 0.00 0.00 173.24 173.31 2kga s ILE 60 N 1.60 5.02 0.20 1.44 1.01 -1.26 -4.97 121.20 124.24 2kga s ILE 60 Ca -0.04 -1.32 -0.32 0.00 0.00 0.00 0.00 60.65 58.97 2kga s ILE 60 Cb -0.18 -4.11 -0.11 0.00 0.01 0.00 0.00 42.46 38.07 2kga s ILE 60 CO -0.07 -0.69 1.65 -2.84 0.00 0.00 0.00 174.94 172.99 2kga s PRO 61 N 1.58 4.16 0.57 2.79 0.02 -1.26 -4.85 135.00 138.00 2kga s PRO 61 Ca 0.04 2.51 0.25 0.00 0.02 0.00 0.00 61.00 63.82 2kga s PRO 61 Cb -0.26 -3.10 1.61 0.00 0.02 0.00 0.00 34.50 32.77 2kga s PRO 61 CO 0.04 -0.68 2.18 0.38 -0.33 0.00 0.00 177.00 178.59 2kga h ASP 62 N 6.62 0.00 0.37 2.53 2.03 -1.98 0.92 116.42 126.90 2kga h ASP 62 Ca -0.43 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 55.72 2kga h ASP 62 Cb 1.20 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.69 2kga h ASP 62 CO 0.93 0.00 -0.62 -0.78 -1.03 0.00 0.00 179.24 177.73 2kga h ASP 63 N 0.00 0.28 0.41 4.15 3.58 -1.99 -2.61 116.42 120.24 2kga h ASP 63 Ca 0.03 -0.17 -0.24 0.00 0.42 0.00 0.00 57.03 57.08 2kga h ASP 63 Cb 0.17 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2kga h ASP 63 CO -0.00 0.83 -1.04 0.58 -2.88 0.00 0.00 179.24 176.73 2kga h VAL 64 N 0.18 1.42 -0.07 2.25 2.07 -1.28 -2.73 116.25 118.09 2kga h VAL 64 Ca -0.01 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.89 2kga h VAL 64 Cb 1.14 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 33.48 2kga h VAL 64 CO 0.10 0.78 0.05 0.00 0.02 0.00 0.00 177.57 178.51 2kga h ALA 65 N 0.68 1.95 -0.00 1.67 0.00 -0.85 0.45 119.26 123.15 2kga h ALA 65 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kga h ALA 65 Cb 1.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2kga h ALA 65 CO 0.18 0.05 -0.39 0.41 0.00 0.00 0.00 179.25 179.49 2kga n GLY 66 N -1.53 -1.22 0.02 0.00 0.00 -1.00 -3.95 105.19 97.51 2kga n GLY 66 Ca -0.02 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.41 0.48 -2.77 1.61 1.85 0.07 -4.87 116.66 111.62 2kga n ARG 67 Ca 0.07 -0.10 -0.43 0.00 -1.00 0.00 0.00 57.85 56.38 2kga n ARG 67 Cb 0.33 -1.55 -0.04 0.00 -1.05 0.00 0.00 32.46 30.15 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 -3.36 4.39 -0.09 8.89 -7.23 -0.74 -4.86 120.40 117.40 2kga s VAL 68 Ca -0.03 0.77 -0.08 0.00 -1.81 0.00 0.00 61.98 60.84 2kga s VAL 68 Cb 0.14 -4.49 -0.28 0.00 0.56 0.00 0.00 36.38 32.31 2kga s VAL 68 CO 0.88 -0.93 0.49 0.44 -0.31 0.00 0.00 175.10 175.67 2kga h ASP 69 N 9.16 0.47 -3.26 4.85 5.19 -1.91 -3.46 116.42 127.45 2kga h ASP 69 Ca -0.24 -0.92 -0.64 0.00 -0.62 0.00 0.00 57.03 54.61 2kga h ASP 69 Cb 1.07 -0.15 -0.12 0.00 0.18 0.00 0.00 39.33 40.31 2kga h ASP 69 CO 1.06 1.81 -0.67 0.42 -3.12 0.00 0.00 179.24 178.74 2kga s THR 70 N -2.57 3.91 0.61 0.35 -4.23 -1.26 -0.29 115.64 112.16 2kga s THR 70 Ca -0.19 -1.10 0.32 0.00 -1.18 0.00 0.00 61.69 59.53 2kga s THR 70 Cb 0.06 -2.88 0.37 0.00 1.34 0.00 0.00 72.50 71.39 2kga s THR 70 CO 0.80 0.07 2.19 -0.65 -0.54 0.00 0.00 174.62 176.49 2kga h PRO 71 N 3.28 0.00 -0.43 3.99 0.11 -1.72 -1.85 132.00 135.39 2kga h PRO 71 Ca -0.48 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.72 2kga h PRO 71 Cb 1.17 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 2kga h PRO 71 CO 0.59 0.00 -0.22 -0.09 -0.21 0.00 0.00 178.00 178.07 2kga h ARG 72 N 0.00 -0.13 -0.53 1.05 2.43 -1.79 0.36 114.38 115.77 2kga h ARG 72 Ca 0.04 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 2kga h ARG 72 Cb 0.25 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2kga h ARG 72 CO -0.00 -0.09 0.04 0.93 -1.51 0.00 0.00 179.97 179.34 2kga h GLU 73 N -0.14 0.91 -0.36 0.20 4.39 -1.65 -1.97 114.58 115.97 2kga h GLU 73 Ca 0.20 -0.27 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 2kga h GLU 73 Cb 0.45 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2kga h GLU 73 CO -0.51 0.91 -0.04 1.25 -1.16 0.00 0.00 179.01 179.46 2kga h LEU 74 N 0.79 0.66 -0.56 1.33 7.12 -1.35 -2.06 115.31 121.25 2kga h LEU 74 Ca 0.16 -0.33 0.06 0.00 0.13 0.00 0.00 57.88 57.89 2kga h LEU 74 Cb 0.47 -0.18 -0.05 0.00 -0.53 0.00 0.00 40.66 40.37 2kga h LEU 74 CO 0.02 0.84 0.27 0.25 -0.13 0.00 0.00 178.44 179.69 2kga h LEU 75 N 0.47 0.37 -0.69 2.25 5.85 -0.12 -0.70 115.31 122.74 2kga h LEU 75 Ca 0.10 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.91 2kga h LEU 75 Cb 0.52 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 2kga h LEU 75 CO 0.03 0.24 0.40 -0.78 -0.34 0.00 0.00 178.44 177.99 2kga h ASP 76 N 0.51 0.63 -0.55 1.25 3.58 -1.15 0.11 116.42 120.79 2kga h ASP 76 Ca 0.26 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.70 2kga h ASP 76 Cb 0.20 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2kga h ASP 76 CO -0.20 0.42 0.23 0.25 -2.88 0.00 0.00 179.24 177.06 2kga h LEU 77 N 0.76 0.75 0.28 2.28 7.12 -0.58 -0.45 115.31 125.48 2kga h LEU 77 Ca 0.30 -0.16 -0.01 0.00 0.13 0.00 0.00 57.88 58.13 2kga h LEU 77 Cb 0.12 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.06 2kga h LEU 77 CO -0.15 0.70 -0.13 0.40 -0.13 0.00 0.00 178.44 179.12 2kga h ILE 78 N 0.75 0.76 -0.57 4.05 1.08 -0.56 -2.82 117.51 120.18 2kga h ILE 78 Ca 0.19 -0.53 0.01 0.00 -0.39 0.00 0.00 64.86 64.13 2kga h ILE 78 Cb 0.18 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 2kga h ILE 78 CO -0.02 0.11 0.38 0.78 -0.69 0.00 0.00 178.15 178.71 2kga h ASN 79 N -0.67 0.64 -0.11 1.72 4.21 -0.74 0.14 115.58 120.77 2kga h ASN 79 Ca -0.04 -0.01 0.01 0.00 1.21 0.00 0.00 56.30 57.46 2kga h ASN 79 Cb 0.47 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.50 2kga h ASN 79 CO 0.06 0.46 0.05 1.23 -1.29 0.00 0.00 177.43 177.94 2kga h GLY 80 N 0.75 0.14 1.66 2.83 0.00 -1.03 -0.22 103.07 107.21 2kga h GLY 80 Ca 0.21 -0.04 -0.16 0.00 0.00 0.00 0.00 47.33 47.35 2kga h GLY 80 CO -0.05 0.03 -0.63 0.00 0.00 0.00 0.00 176.54 175.89 2kga h ALA 81 N 1.06 0.74 -0.65 3.60 0.00 -1.08 -3.08 119.26 119.86 2kga h ALA 81 Ca 0.05 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 2kga h ALA 81 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2kga h ALA 81 CO -0.03 0.73 0.15 -0.07 0.00 0.00 0.00 179.25 180.03 2kga h LEU 82 N 0.25 0.98 -1.32 0.00 3.38 -0.55 -2.78 115.31 115.29 2kga h LEU 82 Ca -0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 2kga h LEU 82 Cb 1.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2kga h LEU 82 CO 0.11 0.96 0.11 0.00 0.09 0.00 0.00 178.44 179.71 2kga h ALA 83 N 1.06 1.46 0.00 1.53 0.00 -0.95 -2.32 119.26 120.03 2kga h ALA 83 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kga h ALA 83 Cb 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2kga h ALA 83 CO 0.00 0.40 -0.01 0.93 0.00 0.00 0.00 179.25 180.58 2kga h GLU 84 N 0.56 0.00 -4.10 0.00 5.08 -1.43 -3.38 114.58 111.32 2kga h GLU 84 Ca 0.13 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.75 2kga h GLU 84 Cb 0.20 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.29 2kga h GLU 84 CO -0.01 0.00 1.79 0.00 -1.00 0.00 0.00 179.01 179.79 2kga n ALA 85 N -1.92 4.71 -1.71 3.43 0.00 -0.87 -5.12 120.51 119.02 2kga n ALA 85 Ca 0.05 -4.26 0.00 0.00 0.00 0.00 0.00 53.44 49.23 2kga n ALA 85 Cb 0.47 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.88 2kga n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50