#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 4.50 -0.54 3.04 0.00 -1.26 -5.03 121.76 122.47 2kga s ALA 2 Ca 0.00 -1.79 -0.28 0.00 0.00 0.00 0.00 51.96 49.89 2kga s ALA 2 Cb 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.93 2kga s ALA 2 CO 0.00 -0.56 1.43 0.99 0.00 0.00 0.00 175.76 177.61 2kga s THR 3 N -2.62 3.79 0.24 0.00 2.01 -1.26 -4.97 115.64 112.83 2kga s THR 3 Ca 0.51 0.69 0.11 0.00 0.31 0.00 0.00 61.69 63.31 2kga s THR 3 Cb -0.05 -4.40 -0.05 0.00 0.01 0.00 0.00 72.50 68.02 2kga s THR 3 CO 0.31 -1.11 -0.15 -0.76 -0.69 0.00 0.00 174.62 172.22 2kga s LEU 4 N 6.05 2.75 -0.21 4.42 1.43 -1.26 -4.91 118.68 126.96 2kga s LEU 4 Ca 0.54 -0.83 -0.21 0.00 -1.03 0.00 0.00 54.13 52.59 2kga s LEU 4 Cb -0.11 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 2kga s LEU 4 CO 0.26 0.06 0.64 -0.22 0.23 0.00 0.00 176.35 177.32 2kga s LEU 5 N -3.25 4.12 0.59 1.79 0.20 -1.26 -4.99 118.68 115.87 2kga s LEU 5 Ca 0.27 0.81 0.09 0.00 0.69 0.00 0.00 54.13 55.99 2kga s LEU 5 Cb -0.07 -2.90 0.09 0.00 -0.43 0.00 0.00 46.19 42.88 2kga s LEU 5 CO 0.15 -0.31 0.72 0.42 -0.29 0.00 0.00 176.35 177.04 2kga s THR 6 N 2.10 1.87 0.53 3.68 -4.23 -1.26 -4.80 115.64 113.52 2kga s THR 6 Ca 0.28 -1.14 0.20 0.00 -1.18 0.00 0.00 61.69 59.86 2kga s THR 6 Cb -0.16 -2.00 0.32 0.00 1.34 0.00 0.00 72.50 72.00 2kga s THR 6 CO 0.10 0.00 2.10 0.74 -0.54 0.00 0.00 174.62 177.01 2kga h THR 7 N 0.26 0.87 -0.08 3.99 2.02 -1.98 0.10 112.91 118.10 2kga h THR 7 Ca -0.30 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 2kga h THR 7 Cb 1.30 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2kga h THR 7 CO 0.45 0.00 -0.23 -0.78 0.37 0.00 0.00 175.52 175.33 2kga h ASP 8 N 0.00 0.34 -0.73 4.18 3.58 -1.98 -0.27 116.42 121.54 2kga h ASP 8 Ca 0.09 -0.60 -0.06 0.00 0.42 0.00 0.00 57.03 56.88 2kga h ASP 8 Cb 0.38 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 2kga h ASP 8 CO -0.00 0.88 0.23 0.44 -2.88 0.00 0.00 179.24 177.92 2kga h ASP 9 N -0.18 1.06 -0.28 2.28 5.19 -1.74 0.45 116.42 123.20 2kga h ASP 9 Ca -0.01 -0.19 -0.05 0.00 -0.62 0.00 0.00 57.03 56.16 2kga h ASP 9 Cb 0.85 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.07 2kga h ASP 9 CO 0.05 0.98 -0.02 0.25 -3.12 0.00 0.00 179.24 177.38 2kga h LEU 10 N 1.09 0.50 0.10 1.55 5.85 -1.02 -0.73 115.31 122.65 2kga h LEU 10 Ca 0.24 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2kga h LEU 10 Cb 0.29 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2kga h LEU 10 CO -0.01 0.70 -0.44 -0.09 -0.34 0.00 0.00 178.44 178.27 2kga h ARG 11 N 0.28 -0.63 -0.91 1.25 2.43 -0.53 -0.37 114.38 115.90 2kga h ARG 11 Ca 0.08 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 2kga h ARG 11 Cb 0.46 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.10 2kga h ARG 11 CO 0.02 -0.42 0.59 0.00 -1.51 0.00 0.00 179.97 178.65 2kga h ARG 12 N -0.66 1.04 0.32 0.20 3.08 -0.85 0.24 114.38 117.75 2kga h ARG 12 Ca 0.02 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2kga h ARG 12 Cb 0.69 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2kga h ARG 12 CO -0.26 0.69 -0.15 0.00 -1.07 0.00 0.00 179.97 179.17 2kga h ALA 13 N 1.50 -0.43 -0.20 0.04 0.00 -0.78 -3.12 119.26 116.27 2kga h ALA 13 Ca 0.38 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2kga h ALA 13 Cb 0.13 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kga h ALA 13 CO -0.13 -0.60 -0.01 -0.07 0.00 0.00 0.00 179.25 178.43 2kga h LEU 14 N -0.71 0.36 -1.99 0.00 3.38 -0.65 -3.14 115.31 112.56 2kga h LEU 14 Ca -0.04 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 2kga h LEU 14 Cb 0.49 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2kga h LEU 14 CO 0.07 0.59 -0.04 0.58 0.09 0.00 0.00 178.44 179.73 2kga h VAL 15 N 0.11 0.16 0.16 1.22 2.07 -0.63 0.12 116.25 119.45 2kga h VAL 15 Ca 0.06 -0.41 -0.21 0.00 0.82 0.00 0.00 66.70 66.96 2kga h VAL 15 Cb 0.42 1.34 0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2kga h VAL 15 CO 0.01 0.04 -0.94 -0.33 0.02 0.00 0.00 177.57 176.38 2kga h GLU 16 N 0.00 0.35 0.00 1.57 5.08 -1.50 -3.28 114.58 116.81 2kga h GLU 16 Ca -0.00 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 2kga h GLU 16 Cb 0.34 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2kga h GLU 16 CO 0.01 1.28 -0.27 0.66 -1.00 0.00 0.00 179.01 179.68 2kga h SER 17 N -0.26 0.00 -1.35 1.42 4.64 -1.48 -3.43 113.55 113.08 2kga h SER 17 Ca -0.16 -0.06 0.09 0.00 -0.47 0.00 0.00 61.79 61.19 2kga h SER 17 Cb 1.73 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.62 2kga h SER 17 CO 0.18 0.03 -0.21 0.00 -0.87 0.00 0.00 176.83 175.96 2kga s ALA 18 N -3.17 -2.21 0.18 5.18 0.00 0.00 -5.12 121.76 116.63 2kga s ALA 18 Ca 0.08 2.03 -0.24 0.00 0.00 0.00 0.00 51.96 53.83 2kga s ALA 18 Cb 0.11 -2.03 0.06 0.00 0.00 0.00 0.00 23.12 21.25 2kga s ALA 18 CO 0.67 -1.18 0.77 0.20 0.00 0.00 0.00 175.76 176.22 2kga s GLY 19 N 2.87 -0.31 -0.38 0.00 0.00 -1.24 -3.78 107.32 104.48 2kga s GLY 19 Ca 0.10 0.20 0.02 0.00 0.00 0.00 0.00 44.72 45.04 2kga s GLY 19 CO -0.20 0.06 0.28 1.85 0.00 0.00 0.00 173.10 175.09 2kga s GLU 20 N -3.60 0.69 0.30 2.90 2.56 -1.26 -5.03 118.70 115.26 2kga s GLU 20 Ca 0.08 -1.58 0.00 0.00 0.00 0.00 0.00 54.97 53.47 2kga s GLU 20 Cb -0.03 -1.27 0.00 0.00 2.00 0.00 0.00 34.13 34.83 2kga s GLU 20 CO -0.02 -1.28 0.00 0.25 -0.56 0.00 0.00 175.26 173.65 2kga n THR 21 N 3.58 0.00 -3.95 -1.70 -2.24 -1.26 -4.37 114.28 104.35 2kga n THR 21 Ca 0.19 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.87 2kga n THR 21 Cb 0.42 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.54 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 -4.00 0.18 0.00 3.42 1.01 -1.26 -4.74 116.67 111.28 2kga s ASP 22 Ca 0.00 -0.42 0.00 0.00 0.71 0.00 0.00 52.55 52.84 2kga s ASP 22 Cb 0.00 0.13 0.00 0.00 1.01 0.00 0.00 42.92 44.06 2kga s ASP 22 CO 0.00 -0.32 0.00 0.61 0.21 0.00 0.00 175.17 175.67 2kga n GLY 23 N 1.54 3.77 2.70 0.21 0.00 -1.26 -4.80 105.19 107.35 2kga n GLY 23 Ca -0.24 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 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 0.06 -2.20 2.61 5.66 -1.26 -5.14 114.28 114.00 2kga n THR 24 Ca 0.00 -1.63 -0.27 0.00 -3.05 0.00 0.00 64.05 59.11 2kga n THR 24 Cb 0.00 1.05 0.06 0.00 -1.55 0.00 0.00 70.33 69.89 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 -1.34 5.03 0.00 1.09 2.15 -1.26 -4.90 116.67 117.44 2kga s ASP 25 Ca 0.23 0.59 0.28 0.00 0.43 0.00 0.00 52.55 54.08 2kga s ASP 25 Cb 0.38 -1.33 1.05 0.00 -0.30 0.00 0.00 42.92 42.72 2kga s ASP 25 CO -0.08 -1.47 1.77 0.18 -0.17 0.00 0.00 175.17 175.40 2kga n LEU 26 N -2.87 0.35 -4.56 -1.34 4.77 -1.26 -4.68 117.00 107.41 2kga n LEU 26 Ca 0.07 0.14 -0.35 0.00 -0.03 0.00 0.00 56.01 55.84 2kga n LEU 26 Cb 0.60 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 2kga n LEU 26 CO 0.53 0.07 1.43 -0.94 -1.33 0.00 0.00 177.39 177.15 2kga s SER 27 N -2.75 5.57 0.00 -1.43 1.04 -1.26 -3.87 113.70 110.99 2kga s SER 27 Ca 0.20 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.20 2kga s SER 27 Cb 0.19 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2kga s SER 27 CO 0.55 -2.28 0.00 0.61 0.98 0.00 0.00 173.24 173.10 2kga n GLY 28 N 6.25 1.89 3.42 7.32 0.00 -1.26 -5.06 105.19 117.75 2kga n GLY 28 Ca 0.27 -0.45 -0.33 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 -1.87 4.22 0.00 1.61 2.15 -1.25 -4.80 116.67 116.72 2kga s ASP 29 Ca 0.00 -0.25 0.00 0.00 0.43 0.00 0.00 52.55 52.73 2kga s ASP 29 Cb 0.00 -1.53 0.00 0.00 -0.30 0.00 0.00 42.92 41.09 2kga s ASP 29 CO 0.00 0.20 0.00 2.22 -0.17 0.00 0.00 175.17 177.42 2kga n PHE 30 N 3.29 0.00 -0.06 -5.34 -1.74 -1.26 -4.63 117.46 107.72 2kga n PHE 30 Ca -0.18 0.00 0.24 0.00 -0.56 0.00 0.00 57.45 56.96 2kga n PHE 30 Cb 0.53 0.00 0.72 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 0.00 0.00 5.98 5.85 -1.94 -0.46 115.31 124.74 2kga h LEU 31 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2kga h LEU 31 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2kga h LEU 31 CO 0.00 0.00 -1.38 -0.67 -0.34 0.00 0.00 178.44 176.05 2kga n ASP 32 N -4.06 0.67 -4.79 1.25 2.03 -1.26 -3.55 116.55 106.83 2kga n ASP 32 Ca 0.13 0.27 -0.37 0.00 0.52 0.00 0.00 54.79 55.35 2kga n ASP 32 Cb 0.81 0.65 -0.06 0.00 -0.72 0.00 0.00 41.12 41.79 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 -5.36 4.36 0.69 -2.67 1.02 -0.18 -4.97 118.68 111.57 2kga s LEU 33 Ca -0.03 1.77 -0.11 0.00 0.02 0.00 0.00 54.13 55.78 2kga s LEU 33 Cb 0.10 -3.92 0.00 0.00 0.02 0.00 0.00 46.19 42.39 2kga s LEU 33 CO 0.82 -0.04 1.06 -0.13 0.02 0.00 0.00 176.35 178.08 2kga s ARG 34 N -1.99 3.02 0.30 1.70 0.52 -1.26 -4.24 118.95 116.99 2kga s ARG 34 Ca 0.48 0.75 0.05 0.00 -0.52 0.00 0.00 55.73 56.49 2kga s ARG 34 Cb -0.19 -2.02 0.70 0.00 0.52 0.00 0.00 34.95 33.97 2kga s ARG 34 CO 0.24 -0.98 1.78 0.74 0.02 0.00 0.00 175.30 177.09 2kga h PHE 35 N -0.63 1.05 -0.20 -0.53 0.04 -1.38 0.27 116.94 115.56 2kga h PHE 35 Ca -0.45 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.42 2kga h PHE 35 Cb 1.22 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 2kga h PHE 35 CO 0.59 0.25 0.16 1.05 -0.60 0.00 0.00 178.31 179.75 2kga h GLU 36 N 0.77 0.00 0.01 1.51 4.11 -1.83 0.33 114.58 119.49 2kga h GLU 36 Ca 0.56 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.74 2kga h GLU 36 Cb 0.84 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2kga h GLU 36 CO -0.37 0.00 -1.29 -0.44 0.07 0.00 0.00 179.01 176.97 2kga h ASP 37 N 0.00 0.04 -0.51 3.06 3.32 -0.83 -3.27 116.42 118.23 2kga h ASP 37 Ca 0.10 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2kga h ASP 37 Cb 0.41 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2kga h ASP 37 CO -0.00 1.05 0.00 2.30 -1.72 0.00 0.00 179.24 180.87 2kga n ILE 38 N -3.26 1.99 -1.43 0.35 -5.35 -0.81 -4.89 119.36 105.97 2kga n ILE 38 Ca -0.07 -1.09 -0.10 0.00 -0.27 0.00 0.00 62.75 61.21 2kga n ILE 38 Cb 0.99 -0.16 -0.04 0.00 -1.74 0.00 0.00 39.64 38.69 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 0.73 0.97 3.33 3.28 0.00 -0.95 -4.94 105.19 107.61 2kga n GLY 39 Ca 0.23 -0.56 -0.46 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.39 3.20 0.71 1.61 1.51 0.11 -5.00 117.35 117.10 2kga s TYR 40 Ca 0.00 -1.18 -0.06 0.00 -1.01 0.00 0.00 57.07 54.82 2kga s TYR 40 Cb 0.00 -3.77 0.08 0.00 -0.11 0.00 0.00 41.96 38.16 2kga s TYR 40 CO 0.00 -1.05 1.01 0.16 -1.11 0.00 0.00 175.55 174.56 2kga s ASP 41 N 3.49 4.64 0.26 2.29 -4.77 -1.26 -3.84 116.67 117.48 2kga s ASP 41 Ca 0.05 0.26 -0.01 0.00 -3.30 0.00 0.00 52.55 49.54 2kga s ASP 41 Cb -0.28 -0.84 0.55 0.00 -1.09 0.00 0.00 42.92 41.26 2kga s ASP 41 CO 0.04 -1.68 1.72 0.77 0.70 0.00 0.00 175.17 176.72 2kga h SER 42 N -0.60 0.33 -0.10 2.11 4.64 -1.98 0.13 113.55 118.10 2kga h SER 42 Ca -0.43 0.12 -0.13 0.00 -0.47 0.00 0.00 61.79 60.88 2kga h SER 42 Cb 1.30 0.09 0.01 0.00 -0.31 0.00 0.00 62.40 63.49 2kga h SER 42 CO 0.54 0.09 -0.46 0.25 -0.87 0.00 0.00 176.83 176.38 2kga h LEU 43 N 0.46 0.57 -0.96 5.97 7.12 -1.99 0.89 115.31 127.36 2kga h LEU 43 Ca 0.47 -0.64 -0.08 0.00 0.13 0.00 0.00 57.88 57.76 2kga h LEU 43 Cb 0.77 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.71 2kga h LEU 43 CO -0.44 1.12 -0.07 0.00 -0.13 0.00 0.00 178.44 178.92 2kga h ALA 44 N 0.46 1.14 -0.45 1.25 0.00 -1.82 -1.67 119.26 118.17 2kga h ALA 44 Ca -0.03 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2kga h ALA 44 Cb 1.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2kga h ALA 44 CO 0.10 0.55 -0.05 1.25 0.00 0.00 0.00 179.25 181.09 2kga h LEU 45 N 0.63 0.83 -0.77 0.00 5.85 -0.60 -1.85 115.31 119.40 2kga h LEU 45 Ca 0.12 -0.34 -0.11 0.00 0.84 0.00 0.00 57.88 58.40 2kga h LEU 45 Cb 0.49 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2kga h LEU 45 CO 0.03 0.97 -0.21 0.00 -0.34 0.00 0.00 178.44 178.89 2kga h MET 46 N 0.68 0.71 -0.49 1.25 -0.00 -0.37 0.82 114.93 117.52 2kga h MET 46 Ca 0.12 -0.27 -0.02 0.00 -0.00 0.00 0.00 59.70 59.53 2kga h MET 46 Cb 0.58 -0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 32.11 2kga h MET 46 CO 0.03 0.86 0.21 0.93 -0.00 0.00 0.00 176.91 178.95 2kga h GLU 47 N 0.63 0.72 -0.31 -0.10 5.08 -1.20 0.09 114.58 119.48 2kga h GLU 47 Ca 0.09 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2kga h GLU 47 Cb 0.69 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2kga h GLU 47 CO 0.05 0.63 0.14 1.15 -1.00 0.00 0.00 179.01 179.98 2kga h THR 48 N 0.65 1.16 0.02 1.13 2.02 -0.96 -0.07 112.91 116.86 2kga h THR 48 Ca 0.17 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.90 2kga h THR 48 Cb 0.16 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2kga h THR 48 CO -0.02 0.17 -0.13 0.00 0.37 0.00 0.00 175.52 175.91 2kga h ALA 49 N 1.00 -0.17 -0.36 6.16 0.00 -0.57 -1.00 119.26 124.31 2kga h ALA 49 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2kga h ALA 49 Cb 0.13 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2kga h ALA 49 CO -0.01 -0.63 0.17 0.00 0.00 0.00 0.00 179.25 178.77 2kga h ALA 50 N 0.71 1.62 -0.11 0.00 0.00 -0.85 -0.42 119.26 120.21 2kga h ALA 50 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2kga h ALA 50 Cb 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kga h ALA 50 CO -0.12 0.31 0.05 -0.09 0.00 0.00 0.00 179.25 179.39 2kga h ARG 51 N 0.50 0.17 -0.33 0.00 2.43 -0.52 -1.86 114.38 114.77 2kga h ARG 51 Ca 0.13 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 2kga h ARG 51 Cb 0.06 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2kga h ARG 51 CO -0.02 0.27 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.51 2kga h LEU 52 N 0.03 0.56 0.66 3.80 3.38 -0.41 0.52 115.31 123.85 2kga h LEU 52 Ca 0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2kga h LEU 52 Cb 0.16 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.77 2kga h LEU 52 CO -0.00 0.72 -0.32 -0.33 0.09 0.00 0.00 178.44 178.60 2kga h GLU 53 N 0.52 -0.86 -0.50 1.13 5.08 -0.95 -0.35 114.58 118.66 2kga h GLU 53 Ca 0.09 0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 2kga h GLU 53 Cb 0.54 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2kga h GLU 53 CO 0.03 -0.57 0.09 0.77 -1.00 0.00 0.00 179.01 178.33 2kga h SER 54 N -0.89 0.72 -0.12 1.42 0.02 -1.17 0.27 113.55 113.81 2kga h SER 54 Ca -0.09 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 2kga h SER 54 Cb 0.69 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 2kga h SER 54 CO 0.15 0.73 -0.03 -0.09 -1.14 0.00 0.00 176.83 176.45 2kga h ARG 55 N 0.74 0.22 0.00 3.45 2.43 -0.78 -3.32 114.38 117.12 2kga h ARG 55 Ca 0.16 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2kga h ARG 55 Cb 0.31 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2kga h ARG 55 CO 0.00 0.52 -1.04 0.66 -1.51 0.00 0.00 179.97 178.60 2kga n TYR 56 N -4.75 0.38 -1.93 2.20 4.01 -0.15 -4.95 117.16 111.97 2kga n TYR 56 Ca -0.06 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2kga n TYR 56 Cb 0.24 -0.54 0.00 0.00 -0.31 0.00 0.00 39.34 38.74 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 1.33 0.65 3.89 2.72 0.00 0.87 -5.06 105.19 109.60 2kga n GLY 57 Ca 0.01 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.25 2.24 -0.19 1.61 -7.23 -0.65 -5.03 120.40 108.89 2kga s VAL 58 Ca 0.00 -1.38 -0.04 0.00 -1.81 0.00 0.00 61.98 58.75 2kga s VAL 58 Cb 0.00 -2.63 0.06 0.00 0.56 0.00 0.00 36.38 34.37 2kga s VAL 58 CO 0.00 0.00 0.06 -0.55 -0.31 0.00 0.00 175.10 174.30 2kga s SER 59 N -4.22 2.71 -0.36 4.85 0.15 -1.26 -4.56 113.70 111.01 2kga s SER 59 Ca 0.44 -0.76 -0.17 0.00 0.70 0.00 0.00 55.95 56.17 2kga s SER 59 Cb -0.03 -0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 63.83 2kga s SER 59 CO 0.26 -0.33 0.44 -0.63 1.20 0.00 0.00 173.24 174.19 2kga s ILE 60 N 1.97 5.08 0.36 6.45 1.01 -1.26 -5.05 121.20 129.76 2kga s ILE 60 Ca 0.00 0.12 -0.28 0.00 0.00 0.00 0.00 60.65 60.49 2kga s ILE 60 Cb -0.17 -3.92 -0.11 0.00 0.01 0.00 0.00 42.46 38.27 2kga s ILE 60 CO -0.09 -0.20 1.42 -2.84 0.00 0.00 0.00 174.94 173.23 2kga s PRO 61 N 2.22 4.20 0.59 2.79 0.02 -1.26 -4.89 135.00 138.66 2kga s PRO 61 Ca 0.15 2.44 0.29 0.00 0.02 0.00 0.00 61.00 63.90 2kga s PRO 61 Cb -0.16 -3.01 1.69 0.00 0.02 0.00 0.00 34.50 33.05 2kga s PRO 61 CO 0.13 -0.41 2.15 0.38 -0.33 0.00 0.00 177.00 178.92 2kga h ASP 62 N 3.15 0.00 0.68 2.53 3.04 -1.99 0.39 116.42 124.22 2kga h ASP 62 Ca -0.50 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.23 2kga h ASP 62 Cb 1.23 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.52 2kga h ASP 62 CO 0.65 0.00 -0.28 -0.78 -2.04 0.00 0.00 179.24 176.78 2kga h ASP 63 N 0.00 0.00 0.11 4.15 3.58 -1.98 -0.59 116.42 121.70 2kga h ASP 63 Ca 0.06 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2kga h ASP 63 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2kga h ASP 63 CO -0.00 0.28 -0.05 0.58 -2.88 0.00 0.00 179.24 177.17 2kga h VAL 64 N 0.00 0.95 -0.15 2.25 2.07 -1.29 -2.18 116.25 117.90 2kga h VAL 64 Ca -0.00 -1.31 0.04 0.00 0.82 0.00 0.00 66.70 66.25 2kga h VAL 64 Cb 0.70 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2kga h VAL 64 CO 0.04 0.26 0.11 0.00 0.02 0.00 0.00 177.57 178.00 2kga h ALA 65 N -0.28 2.11 0.00 1.67 0.00 -1.33 0.74 119.26 122.17 2kga h ALA 65 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kga h ALA 65 Cb 0.55 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2kga h ALA 65 CO 0.03 -0.19 -0.26 0.78 0.00 0.00 0.00 179.25 179.61 2kga h GLY 66 N 0.00 0.00 0.00 0.00 0.00 -1.11 -3.33 103.07 98.63 2kga h GLY 66 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2kga h GLY 66 CO -0.00 0.00 -1.75 -0.96 0.00 0.00 0.00 176.54 173.83 2kga n ARG 67 N -3.07 0.53 -2.70 4.80 1.85 0.05 -4.82 116.66 113.30 2kga n ARG 67 Ca 0.03 -0.15 -0.42 0.00 -1.00 0.00 0.00 57.85 56.30 2kga n ARG 67 Cb 0.59 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.46 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 -3.37 4.16 -0.13 8.89 -7.23 -0.04 -4.80 120.40 117.87 2kga s VAL 68 Ca -0.04 0.51 0.21 0.00 -1.81 0.00 0.00 61.98 60.85 2kga s VAL 68 Cb 0.14 -4.67 -0.18 0.00 0.56 0.00 0.00 36.38 32.23 2kga s VAL 68 CO 0.88 -1.31 0.70 -0.67 -0.31 0.00 0.00 175.10 174.39 2kga n ASP 69 N 8.09 0.41 -4.29 4.85 2.03 -1.26 -4.90 116.55 121.49 2kga n ASP 69 Ca 0.04 0.16 -0.27 0.00 0.52 0.00 0.00 54.79 55.25 2kga n ASP 69 Cb 0.48 1.15 -0.14 0.00 -0.72 0.00 0.00 41.12 41.90 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 -3.33 1.84 0.46 5.18 -4.23 -1.26 -1.05 115.64 113.24 2kga s THR 70 Ca -0.05 -1.36 0.16 0.00 -1.18 0.00 0.00 61.69 59.27 2kga s THR 70 Cb 0.11 -1.61 0.34 0.00 1.34 0.00 0.00 72.50 72.69 2kga s THR 70 CO 0.85 0.18 1.99 -0.65 -0.54 0.00 0.00 174.62 176.46 2kga h PRO 71 N 4.62 0.29 -0.77 3.99 0.11 -1.74 -2.31 132.00 136.19 2kga h PRO 71 Ca -0.45 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.78 2kga h PRO 71 Cb 1.16 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.11 2kga h PRO 71 CO 0.43 0.19 0.34 0.07 -0.21 0.00 0.00 178.00 178.81 2kga h ARG 72 N 0.30 0.48 -0.51 1.05 0.11 -1.92 0.21 114.38 114.10 2kga h ARG 72 Ca 0.25 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 60.20 2kga h ARG 72 Cb 0.61 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.56 2kga h ARG 72 CO -0.06 0.32 -0.08 0.93 0.10 0.00 0.00 179.97 181.18 2kga h GLU 73 N 0.50 0.97 -0.18 0.08 5.08 -1.77 -0.35 114.58 118.90 2kga h GLU 73 Ca 0.42 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2kga h GLU 73 Cb 0.61 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2kga h GLU 73 CO -0.38 1.02 -0.04 1.25 -1.00 0.00 0.00 179.01 179.86 2kga h LEU 74 N 0.83 0.34 -0.21 1.33 7.12 -1.39 -1.04 115.31 122.28 2kga h LEU 74 Ca 0.14 -0.37 0.05 0.00 0.13 0.00 0.00 57.88 57.83 2kga h LEU 74 Cb 0.64 -0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 40.62 2kga h LEU 74 CO 0.04 0.63 -0.13 0.25 -0.13 0.00 0.00 178.44 179.10 2kga h LEU 75 N 0.05 -0.44 -0.78 2.25 5.85 -0.42 -1.18 115.31 120.64 2kga h LEU 75 Ca 0.04 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2kga h LEU 75 Cb 0.48 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 2kga h LEU 75 CO 0.02 -0.17 0.48 -0.78 -0.34 0.00 0.00 178.44 177.65 2kga h ASP 76 N -0.12 0.78 -0.62 1.25 3.58 -0.96 -0.24 116.42 120.08 2kga h ASP 76 Ca 0.12 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 2kga h ASP 76 Cb 0.31 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 2kga h ASP 76 CO -0.29 0.52 0.25 0.25 -2.88 0.00 0.00 179.24 177.08 2kga h LEU 77 N 0.92 0.85 -0.22 2.28 7.12 -0.42 0.16 115.31 125.99 2kga h LEU 77 Ca 0.33 -0.17 -0.03 0.00 0.13 0.00 0.00 57.88 58.14 2kga h LEU 77 Cb 0.09 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 39.99 2kga h LEU 77 CO -0.14 0.79 0.02 0.40 -0.13 0.00 0.00 178.44 179.38 2kga h ILE 78 N 0.86 1.24 -0.71 4.05 1.08 -0.70 -0.08 117.51 123.25 2kga h ILE 78 Ca 0.21 -0.80 -0.03 0.00 -0.39 0.00 0.00 64.86 63.85 2kga h ILE 78 Cb 0.21 1.33 -0.03 0.00 -3.07 0.00 0.00 36.82 35.26 2kga h ILE 78 CO -0.02 0.25 0.33 0.78 -0.69 0.00 0.00 178.15 178.81 2kga h ASN 79 N 0.16 0.92 -0.26 1.72 -0.26 -0.77 0.28 115.58 117.38 2kga h ASN 79 Ca 0.07 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.70 2kga h ASN 79 Cb 0.35 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 2kga h ASN 79 CO 0.01 0.78 0.14 1.23 -1.06 0.00 0.00 177.43 178.53 2kga h GLY 80 N 1.07 0.39 1.78 2.83 0.00 -0.36 0.11 103.07 108.89 2kga h GLY 80 Ca 0.25 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 2kga h GLY 80 CO -0.03 0.17 -0.40 0.00 0.00 0.00 0.00 176.54 176.28 2kga h ALA 81 N 1.01 1.12 -0.32 3.60 0.00 -0.53 -0.13 119.26 124.02 2kga h ALA 81 Ca 0.09 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 2kga h ALA 81 Cb 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kga h ALA 81 CO -0.01 0.58 -0.49 -0.07 0.00 0.00 0.00 179.25 179.26 2kga h LEU 82 N 0.20 0.98 -0.60 0.00 3.38 -0.72 -2.00 115.31 116.55 2kga h LEU 82 Ca 0.02 -0.51 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 2kga h LEU 82 Cb 0.80 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2kga h LEU 82 CO 0.06 1.30 0.11 0.00 0.09 0.00 0.00 178.44 180.00 2kga h ALA 83 N 0.71 0.80 0.00 1.53 0.00 -0.39 -2.48 119.26 119.43 2kga h ALA 83 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2kga h ALA 83 Cb 1.09 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2kga h ALA 83 CO 0.11 0.55 0.00 0.39 0.00 0.00 0.00 179.25 180.30 2kga n GLU 84 N -4.30 0.08 0.01 0.00 1.02 -0.10 -3.48 120.64 113.87 2kga n GLU 84 Ca 0.03 0.21 -0.01 0.00 -0.02 0.00 0.00 57.16 57.37 2kga n GLU 84 Cb 0.27 -1.62 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 2kga n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kga h ALA 85 N 2.59 -0.12 0.00 0.62 0.00 -0.90 -3.50 119.26 117.95 2kga h ALA 85 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kga h ALA 85 Cb 0.42 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kga h ALA 85 CO 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.13