#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 -2.76 -2.30 3.04 0.00 -1.26 -4.90 120.51 112.34 2kga n ALA 2 Ca 0.00 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.44 2kga n ALA 2 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 2kga n ALA 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2kga s THR 3 N -2.04 3.69 0.16 0.00 2.01 -1.26 -4.49 115.64 113.72 2kga s THR 3 Ca 0.09 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.68 2kga s THR 3 Cb -0.02 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.21 2kga s THR 3 CO 0.35 -1.04 0.00 0.18 -0.69 0.00 0.00 174.62 173.43 2kga n LEU 4 N 10.08 -4.40 -4.68 4.42 4.77 -1.26 -4.89 117.00 121.04 2kga n LEU 4 Ca 0.15 1.85 -0.42 0.00 -0.03 0.00 0.00 56.01 57.56 2kga n LEU 4 Cb 0.49 -1.87 -0.03 0.00 -2.33 0.00 0.00 43.42 39.69 2kga n LEU 4 CO 0.71 -0.74 1.12 -0.22 -1.33 0.00 0.00 177.39 176.93 2kga s LEU 5 N -0.81 4.30 0.48 2.23 2.96 -1.26 -5.01 118.68 121.56 2kga s LEU 5 Ca 0.00 2.04 0.05 0.00 -0.22 0.00 0.00 54.13 56.00 2kga s LEU 5 Cb 0.00 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.16 2kga s LEU 5 CO 0.00 -0.73 0.66 0.42 -1.32 0.00 0.00 176.35 175.38 2kga s THR 6 N 2.67 2.86 0.57 3.68 -4.23 -1.26 -4.91 115.64 115.01 2kga s THR 6 Ca 0.63 -0.86 0.26 0.00 -1.18 0.00 0.00 61.69 60.53 2kga s THR 6 Cb -0.30 -3.00 0.34 0.00 1.34 0.00 0.00 72.50 70.89 2kga s THR 6 CO 0.25 0.00 2.15 0.74 -0.54 0.00 0.00 174.62 177.22 2kga h THR 7 N 0.40 0.63 -0.08 3.99 2.02 -1.98 0.12 112.91 118.02 2kga h THR 7 Ca -0.41 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.72 2kga h THR 7 Cb 1.29 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2kga h THR 7 CO 0.48 0.00 -0.16 0.44 0.37 0.00 0.00 175.52 176.65 2kga h ASP 8 N 0.00 0.27 -0.17 4.18 3.32 -1.98 0.34 116.42 122.39 2kga h ASP 8 Ca 0.05 -0.56 -0.07 0.00 0.02 0.00 0.00 57.03 56.48 2kga h ASP 8 Cb 0.27 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2kga h ASP 8 CO -0.00 0.78 -0.09 0.44 -1.72 0.00 0.00 179.24 178.65 2kga h ASP 9 N -0.23 0.50 0.56 6.45 3.32 -1.75 -1.49 116.42 123.77 2kga h ASP 9 Ca 0.00 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 2kga h ASP 9 Cb 0.74 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.16 2kga h ASP 9 CO 0.03 0.63 -0.27 0.25 -1.72 0.00 0.00 179.24 178.17 2kga h LEU 10 N 0.48 -0.63 -0.40 1.55 5.85 -0.74 -3.10 115.31 118.32 2kga h LEU 10 Ca 0.09 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.85 2kga h LEU 10 Cb 0.45 0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.56 2kga h LEU 10 CO 0.02 -0.30 -0.26 -0.09 -0.34 0.00 0.00 178.44 177.48 2kga h ARG 11 N -0.99 -0.18 -0.50 1.25 2.43 0.09 0.62 114.38 117.09 2kga h ARG 11 Ca -0.08 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2kga h ARG 11 Cb 0.64 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 2kga h ARG 11 CO 0.13 -0.12 0.32 0.00 -1.51 0.00 0.00 179.97 178.78 2kga h ARG 12 N -0.19 0.62 -0.47 0.20 3.08 -1.39 0.35 114.38 116.58 2kga h ARG 12 Ca 0.19 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 2kga h ARG 12 Cb 0.49 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2kga h ARG 12 CO -0.51 0.41 0.04 0.00 -1.07 0.00 0.00 179.97 178.83 2kga h ALA 13 N 1.20 0.63 0.32 0.04 0.00 -1.29 -2.87 119.26 117.29 2kga h ALA 13 Ca 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2kga h ALA 13 Cb -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2kga h ALA 13 CO -0.06 0.40 -0.16 -0.07 0.00 0.00 0.00 179.25 179.36 2kga h LEU 14 N 0.67 -0.37 -1.83 0.00 -0.00 -0.57 -3.08 115.31 110.13 2kga h LEU 14 Ca 0.14 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 2kga h LEU 14 Cb 0.45 0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.21 2kga h LEU 14 CO 0.02 -0.05 -0.07 1.62 -0.00 0.00 0.00 178.44 179.95 2kga h VAL 15 N -0.71 0.26 0.00 1.22 3.04 -0.32 -1.11 116.25 118.63 2kga h VAL 15 Ca -0.04 -0.52 -0.06 0.00 -1.01 0.00 0.00 66.70 65.07 2kga h VAL 15 Cb 0.49 1.41 -0.01 0.00 -2.01 0.00 0.00 31.29 31.17 2kga h VAL 15 CO 0.07 0.07 -0.84 -0.33 -1.01 0.00 0.00 177.57 175.54 2kga h GLU 16 N 0.00 0.00 0.00 4.17 5.08 -1.58 -3.33 114.58 118.92 2kga h GLU 16 Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 2kga h GLU 16 Cb 0.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2kga h GLU 16 CO 0.01 0.14 -0.97 1.03 -1.00 0.00 0.00 179.01 178.22 2kga h SER 17 N 0.00 0.00 -2.81 1.42 0.87 -1.13 -3.48 113.55 108.41 2kga h SER 17 Ca -0.04 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 2kga h SER 17 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2kga h SER 17 CO 0.02 0.77 0.30 0.00 -0.53 0.00 0.00 176.83 177.39 2kga n ALA 18 N -2.34 -1.79 0.00 6.23 0.00 -0.81 -4.87 120.51 116.94 2kga n ALA 18 Ca -0.03 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.25 2kga n ALA 18 Cb 0.87 0.90 0.00 0.00 0.00 0.00 0.00 19.45 21.22 2kga n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kga n GLY 19 N -0.53 -0.60 3.08 0.00 0.00 -1.26 -4.38 105.19 101.50 2kga n GLY 19 Ca -0.08 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 2kga n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kga s GLU 20 N -1.22 0.58 0.00 1.61 -6.30 -1.26 -4.47 118.70 107.65 2kga s GLU 20 Ca 0.00 -0.80 0.06 0.00 -2.50 0.00 0.00 54.97 51.73 2kga s GLU 20 Cb 0.00 -0.38 0.35 0.00 0.00 0.00 0.00 34.13 34.10 2kga s GLU 20 CO 0.00 0.07 1.23 -2.37 0.02 0.00 0.00 175.26 174.21 2kga n THR 21 N 1.40 0.02 0.09 -1.70 5.66 -1.26 -2.52 114.28 115.97 2kga n THR 21 Ca -0.22 -0.02 -0.02 0.00 -3.05 0.00 0.00 64.05 60.74 2kga n THR 21 Cb 0.55 -0.07 0.23 0.00 -1.55 0.00 0.00 70.33 69.49 2kga n THR 21 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2kga h ASP 22 N 0.10 0.27 0.00 1.09 3.58 -2.03 -3.49 116.42 115.95 2kga h ASP 22 Ca 0.00 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2kga h ASP 22 Cb 0.02 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2kga h ASP 22 CO 0.00 0.63 0.00 0.61 -2.88 0.00 0.00 179.24 177.60 2kga n GLY 23 N -0.25 1.59 2.54 -0.78 0.00 -1.05 -4.76 105.19 102.49 2kga n GLY 23 Ca -0.01 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 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 3.61 0.09 2.61 5.66 -1.26 -4.50 114.28 120.49 2kga n THR 24 Ca 0.00 -3.45 -0.05 0.00 -3.05 0.00 0.00 64.05 57.50 2kga n THR 24 Cb 0.00 -1.19 -0.02 0.00 -1.55 0.00 0.00 70.33 67.57 2kga n THR 24 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2kga h ASP 25 N 2.37 -0.27 -0.99 1.09 3.58 -1.86 -3.36 116.42 116.97 2kga h ASP 25 Ca 0.59 0.01 -0.64 0.00 0.42 0.00 0.00 57.03 57.41 2kga h ASP 25 Cb 0.53 0.07 -0.09 0.00 1.72 0.00 0.00 39.33 41.56 2kga h ASP 25 CO 1.53 0.14 1.84 -0.22 -2.88 0.00 0.00 179.24 179.65 2kga s LEU 26 N -8.49 3.66 -0.11 2.28 2.96 -1.26 -4.87 118.68 112.85 2kga s LEU 26 Ca -0.05 -1.94 -0.13 0.00 -0.22 0.00 0.00 54.13 51.80 2kga s LEU 26 Cb 0.00 -2.57 0.03 0.00 0.50 0.00 0.00 46.19 44.15 2kga s LEU 26 CO 0.14 -1.35 0.35 -0.44 -1.32 0.00 0.00 176.35 173.73 2kga s SER 27 N 4.62 -0.33 0.36 3.68 0.01 -1.26 -4.95 113.70 115.83 2kga s SER 27 Ca 0.50 0.58 0.00 0.00 1.31 0.00 0.00 55.95 58.34 2kga s SER 27 Cb 0.02 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.89 2kga s SER 27 CO -0.01 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2kga n GLY 28 N 2.54 1.23 3.66 3.44 0.00 -1.26 -4.83 105.19 109.98 2kga n GLY 28 Ca -0.15 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 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 4.96 0.00 1.61 2.15 -1.26 -4.96 116.67 115.18 2kga s ASP 29 Ca 0.00 -0.07 0.00 0.00 0.43 0.00 0.00 52.55 52.91 2kga s ASP 29 Cb 0.00 -1.24 0.00 0.00 -0.30 0.00 0.00 42.92 41.38 2kga s ASP 29 CO 0.00 0.27 0.11 2.22 -0.17 0.00 0.00 175.17 177.60 2kga n PHE 30 N 1.33 0.00 -0.30 -5.34 -1.74 -1.26 -4.96 117.46 105.19 2kga n PHE 30 Ca -0.14 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 56.86 2kga n PHE 30 Cb 0.53 0.07 0.35 0.00 1.52 0.00 0.00 39.48 41.95 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 0.71 -0.36 5.98 5.85 -1.95 -1.19 115.31 124.35 2kga h LEU 31 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2kga h LEU 31 Cb 0.80 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2kga h LEU 31 CO 0.00 0.35 -0.73 -0.67 -0.34 0.00 0.00 178.44 177.04 2kga n ASP 32 N -4.59 1.29 -4.84 1.25 2.03 -1.26 -1.11 116.55 109.32 2kga n ASP 32 Ca 0.18 -1.09 -0.32 0.00 0.52 0.00 0.00 54.79 54.08 2kga n ASP 32 Cb 0.47 0.70 -0.06 0.00 -0.72 0.00 0.00 41.12 41.52 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 -2.80 3.96 0.07 -2.67 1.43 -0.45 -4.91 118.68 113.31 2kga s LEU 33 Ca 0.13 1.44 -0.30 0.00 -1.03 0.00 0.00 54.13 54.37 2kga s LEU 33 Cb 0.17 -4.28 -0.05 0.00 0.03 0.00 0.00 46.19 42.06 2kga s LEU 33 CO 0.73 -0.31 1.10 -0.13 0.23 0.00 0.00 176.35 177.98 2kga s ARG 34 N -3.22 4.51 0.21 1.70 1.81 -1.26 -4.03 118.95 118.68 2kga s ARG 34 Ca 0.57 1.64 -0.09 0.00 -1.72 0.00 0.00 55.73 56.13 2kga s ARG 34 Cb -0.10 -3.37 0.32 0.00 -0.45 0.00 0.00 34.95 31.35 2kga s ARG 34 CO 0.18 -0.11 1.71 0.74 -0.68 0.00 0.00 175.30 177.14 2kga h PHE 35 N 6.44 0.23 -0.55 -0.53 0.04 -1.21 0.50 116.94 121.86 2kga h PHE 35 Ca -0.42 0.04 0.16 0.00 2.80 0.00 0.00 57.97 60.55 2kga h PHE 35 Cb 1.22 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.33 2kga h PHE 35 CO 0.66 -0.02 0.40 1.05 -0.60 0.00 0.00 178.31 179.80 2kga h GLU 36 N 0.28 0.01 0.00 1.51 4.11 -1.76 -0.07 114.58 118.66 2kga h GLU 36 Ca 0.33 -0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.53 2kga h GLU 36 Cb 0.49 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 2kga h GLU 36 CO -0.41 0.01 -1.52 0.22 0.07 0.00 0.00 179.01 177.38 2kga h ASP 37 N 0.01 0.00 -0.86 3.06 3.58 -1.22 -3.39 116.42 117.61 2kga h ASP 37 Ca 0.26 0.00 -0.42 0.00 0.42 0.00 0.00 57.03 57.30 2kga h ASP 37 Cb 1.04 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 41.84 2kga h ASP 37 CO -0.01 0.77 0.49 2.30 -2.88 0.00 0.00 179.24 179.91 2kga n ILE 38 N -2.97 3.07 -0.14 2.25 -5.35 -0.25 -4.87 119.36 111.10 2kga n ILE 38 Ca -0.12 -1.99 0.00 0.00 -0.27 0.00 0.00 62.75 60.36 2kga n ILE 38 Cb 0.93 -0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 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 -0.98 0.73 3.30 3.28 0.00 -1.16 -4.63 105.19 105.73 2kga n GLY 39 Ca 0.53 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.15 3.27 -0.14 1.61 1.51 -0.15 -4.28 117.35 117.03 2kga s TYR 40 Ca 0.00 -1.31 -0.17 0.00 -1.01 0.00 0.00 57.07 54.58 2kga s TYR 40 Cb 0.00 -2.45 -0.15 0.00 -0.11 0.00 0.00 41.96 39.25 2kga s TYR 40 CO 0.00 -0.73 0.36 0.22 -1.11 0.00 0.00 175.55 174.30 2kga h ASP 41 N 8.32 0.00 0.00 2.29 1.82 -1.86 -2.90 116.42 124.09 2kga h ASP 41 Ca -0.24 -0.53 0.00 0.00 -0.39 0.00 0.00 57.03 55.88 2kga h ASP 41 Cb 1.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.10 2kga h ASP 41 CO 0.65 0.89 0.00 -1.54 -1.61 0.00 0.00 179.24 177.63 2kga n SER 42 N -4.64 0.00 -0.08 2.28 3.41 -1.26 -4.82 113.62 108.51 2kga n SER 42 Ca -0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.43 2kga n SER 42 Cb 0.34 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.25 -0.42 1.04 7.12 -1.99 -0.31 115.31 120.99 2kga h LEU 43 Ca 0.00 0.01 -0.06 0.00 0.13 0.00 0.00 57.88 57.95 2kga h LEU 43 Cb 0.00 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.07 2kga h LEU 43 CO 0.00 0.18 0.02 0.00 -0.13 0.00 0.00 178.44 178.51 2kga h ALA 44 N 1.13 0.56 -0.99 1.25 0.00 -1.93 -3.17 119.26 116.11 2kga h ALA 44 Ca 0.11 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2kga h ALA 44 Cb 0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2kga h ALA 44 CO -0.06 0.33 0.65 1.25 0.00 0.00 0.00 179.25 181.42 2kga h LEU 45 N 0.57 1.10 -0.74 0.00 5.85 -1.75 -0.63 115.31 119.70 2kga h LEU 45 Ca 0.12 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 2kga h LEU 45 Cb 0.46 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2kga h LEU 45 CO 0.02 0.76 -0.07 0.00 -0.34 0.00 0.00 178.44 178.81 2kga h MET 46 N 1.28 0.90 -0.27 1.25 -0.00 -1.05 -0.09 114.93 116.94 2kga h MET 46 Ca 0.39 -0.29 -0.09 0.00 -0.00 0.00 0.00 59.70 59.71 2kga h MET 46 Cb -0.04 -0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 31.47 2kga h MET 46 CO -0.11 0.93 -0.21 0.93 -0.00 0.00 0.00 176.91 178.45 2kga h GLU 47 N 0.81 0.49 0.41 -0.10 5.08 -1.28 -0.27 114.58 119.72 2kga h GLU 47 Ca 0.14 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2kga h GLU 47 Cb 0.58 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2kga h GLU 47 CO 0.04 0.68 -0.20 1.15 -1.00 0.00 0.00 179.01 179.67 2kga h THR 48 N 0.44 0.60 -0.52 1.13 2.02 -0.63 -1.34 112.91 114.61 2kga h THR 48 Ca 0.07 -0.13 0.07 0.00 0.77 0.00 0.00 66.41 67.19 2kga h THR 48 Cb 0.62 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 67.63 2kga h THR 48 CO 0.04 0.02 0.20 0.00 0.37 0.00 0.00 175.52 176.16 2kga h ALA 49 N -0.06 0.64 -0.10 6.16 0.00 -0.69 -1.33 119.26 123.89 2kga h ALA 49 Ca -0.06 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2kga h ALA 49 Cb 0.47 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2kga h ALA 49 CO 0.09 -0.19 -0.18 0.00 0.00 0.00 0.00 179.25 178.97 2kga h ALA 50 N 1.34 1.52 -0.13 0.00 0.00 -1.02 -0.91 119.26 120.05 2kga h ALA 50 Ca 0.25 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 2kga h ALA 50 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2kga h ALA 50 CO -0.24 0.35 -0.51 -0.09 0.00 0.00 0.00 179.25 178.75 2kga h ARG 51 N 0.15 0.36 -0.24 0.00 2.43 -0.19 -1.38 114.38 115.51 2kga h ARG 51 Ca 0.03 -0.21 -0.10 0.00 -0.81 0.00 0.00 59.98 58.88 2kga h ARG 51 Cb 0.41 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2kga h ARG 51 CO 0.03 0.79 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.95 2kga h LEU 52 N 0.28 0.64 0.42 3.80 3.38 -0.57 -2.07 115.31 121.18 2kga h LEU 52 Ca 0.01 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 2kga h LEU 52 Cb 1.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2kga h LEU 52 CO 0.09 0.99 -0.36 -0.33 0.09 0.00 0.00 178.44 178.92 2kga h GLU 53 N 0.30 -0.75 0.15 1.13 5.08 -0.96 -0.88 114.58 118.64 2kga h GLU 53 Ca 0.04 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2kga h GLU 53 Cb 0.82 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2kga h GLU 53 CO 0.06 -0.50 -0.07 0.66 -1.00 0.00 0.00 179.01 178.16 2kga h SER 54 N -0.78 -0.17 -0.13 1.42 4.64 -1.32 -0.94 113.55 116.27 2kga h SER 54 Ca -0.04 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.15 2kga h SER 54 Cb 0.68 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2kga h SER 54 CO -0.03 -0.00 -0.03 -0.09 -0.87 0.00 0.00 176.83 175.81 2kga h ARG 55 N -0.33 0.25 -0.00 4.77 2.43 -1.39 -3.27 114.38 116.83 2kga h ARG 55 Ca -0.02 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2kga h ARG 55 Cb 0.26 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2kga h ARG 55 CO 0.03 0.55 -0.38 0.66 -1.51 0.00 0.00 179.97 179.32 2kga n TYR 56 N -4.72 0.00 -2.48 2.20 4.01 -0.34 -4.73 117.16 111.10 2kga n TYR 56 Ca -0.06 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.66 2kga n TYR 56 Cb 0.25 -0.18 0.01 0.00 -0.31 0.00 0.00 39.34 39.11 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 1.42 0.72 3.68 2.72 0.00 -0.56 -4.98 105.19 108.19 2kga n GLY 57 Ca 0.09 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.03 1.61 -0.15 1.61 -7.23 -0.47 -4.91 120.40 107.83 2kga s VAL 58 Ca 0.04 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 2kga s VAL 58 Cb -0.02 -2.61 0.05 0.00 0.56 0.00 0.00 36.38 34.36 2kga s VAL 58 CO 0.06 0.00 0.06 -0.44 -0.31 0.00 0.00 175.10 174.47 2kga s SER 59 N -3.78 2.30 -0.43 4.85 0.01 -1.26 -4.49 113.70 110.90 2kga s SER 59 Ca 0.22 -0.54 -0.15 0.00 1.31 0.00 0.00 55.95 56.78 2kga s SER 59 Cb 0.06 -0.36 0.03 0.00 0.21 0.00 0.00 66.02 65.97 2kga s SER 59 CO 0.11 -0.31 0.32 -0.63 0.41 0.00 0.00 173.24 173.14 2kga s ILE 60 N 2.04 5.24 0.55 1.44 1.01 -1.26 -5.05 121.20 125.17 2kga s ILE 60 Ca 0.02 -0.77 -0.21 0.00 0.00 0.00 0.00 60.65 59.69 2kga s ILE 60 Cb -0.15 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 2kga s ILE 60 CO -0.08 -0.38 1.29 -2.84 0.00 0.00 0.00 174.94 172.93 2kga s PRO 61 N 1.67 3.15 0.36 2.79 0.02 -1.26 -4.83 135.00 136.90 2kga s PRO 61 Ca 0.05 2.05 0.07 0.00 0.02 0.00 0.00 61.00 63.19 2kga s PRO 61 Cb -0.20 -2.17 0.77 0.00 0.02 0.00 0.00 34.50 32.92 2kga s PRO 61 CO 0.09 -1.13 1.93 0.22 -0.33 0.00 0.00 177.00 177.78 2kga h ASP 62 N 1.34 0.66 0.02 2.53 1.82 -2.00 -0.02 116.42 120.77 2kga h ASP 62 Ca -0.51 0.01 -0.23 0.00 -0.39 0.00 0.00 57.03 55.92 2kga h ASP 62 Cb 1.29 -0.12 0.01 0.00 0.68 0.00 0.00 39.33 41.19 2kga h ASP 62 CO 0.57 0.40 -0.87 0.44 -1.61 0.00 0.00 179.24 178.16 2kga h ASP 63 N 0.73 0.81 1.05 2.28 5.19 -2.02 -3.27 116.42 121.20 2kga h ASP 63 Ca 0.35 -0.58 -0.12 0.00 -0.62 0.00 0.00 57.03 56.07 2kga h ASP 63 Cb 0.41 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 2kga h ASP 63 CO -0.13 1.38 -0.55 0.58 -3.12 0.00 0.00 179.24 177.39 2kga h VAL 64 N 0.42 1.08 0.00 -1.35 2.07 -1.62 -2.71 116.25 114.14 2kga h VAL 64 Ca -0.08 -2.14 -0.00 0.00 0.82 0.00 0.00 66.70 65.30 2kga h VAL 64 Cb 1.50 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 33.54 2kga h VAL 64 CO 0.17 0.54 -0.02 0.00 0.02 0.00 0.00 177.57 178.28 2kga h ALA 65 N 1.45 1.22 0.00 1.67 0.00 -1.09 -1.47 119.26 121.04 2kga h ALA 65 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kga h ALA 65 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2kga h ALA 65 CO 0.07 0.02 0.00 0.78 0.00 0.00 0.00 179.25 180.12 2kga h GLY 66 N 0.25 0.00 -0.02 0.00 0.00 -1.59 -3.24 103.07 98.47 2kga h GLY 66 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kga h GLY 66 CO 0.00 0.00 -0.65 -0.96 0.00 0.00 0.00 176.54 174.93 2kga n ARG 67 N -2.87 0.44 -2.93 4.80 1.85 -0.56 -4.70 116.66 112.70 2kga n ARG 67 Ca 0.03 -0.33 -0.44 0.00 -1.00 0.00 0.00 57.85 56.11 2kga n ARG 67 Cb 0.43 -1.49 -0.02 0.00 -1.05 0.00 0.00 32.46 30.33 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 -2.79 4.79 -0.10 8.89 -7.23 -1.22 -4.72 120.40 118.02 2kga s VAL 68 Ca 0.14 -1.79 0.05 0.00 -1.81 0.00 0.00 61.98 58.57 2kga s VAL 68 Cb 0.17 -4.80 -0.24 0.00 0.56 0.00 0.00 36.38 32.07 2kga s VAL 68 CO 0.71 -1.53 0.43 0.47 -0.31 0.00 0.00 175.10 174.87 2kga n ASP 69 N 6.35 1.33 -4.62 4.85 8.00 -1.26 -4.88 116.55 126.32 2kga n ASP 69 Ca 0.26 0.26 -0.31 0.00 0.71 0.00 0.00 54.79 55.71 2kga n ASP 69 Cb 0.48 -0.28 -0.09 0.00 -0.02 0.00 0.00 41.12 41.21 2kga n ASP 69 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2kga s THR 70 N -2.57 3.68 0.58 -3.53 -4.23 -1.26 -0.66 115.64 107.65 2kga s THR 70 Ca -0.14 -0.99 0.27 0.00 -1.18 0.00 0.00 61.69 59.65 2kga s THR 70 Cb 0.07 -2.69 0.35 0.00 1.34 0.00 0.00 72.50 71.58 2kga s THR 70 CO 0.79 0.22 2.13 -0.65 -0.54 0.00 0.00 174.62 176.57 2kga h PRO 71 N 3.91 0.00 -0.17 3.99 0.11 -1.68 -1.98 132.00 136.18 2kga h PRO 71 Ca -0.48 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.68 2kga h PRO 71 Cb 1.17 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 2kga h PRO 71 CO 0.55 0.00 -0.37 -0.09 -0.21 0.00 0.00 178.00 177.88 2kga h ARG 72 N 0.00 -0.41 -0.62 1.05 2.43 -1.44 0.56 114.38 115.95 2kga h ARG 72 Ca 0.07 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 2kga h ARG 72 Cb 0.38 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2kga h ARG 72 CO -0.00 -0.27 0.14 0.93 -1.51 0.00 0.00 179.97 179.26 2kga h GLU 73 N -0.42 1.01 -0.27 0.20 5.08 -1.67 -2.13 114.58 116.37 2kga h GLU 73 Ca 0.10 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 2kga h GLU 73 Cb 0.59 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2kga h GLU 73 CO -0.41 0.92 0.00 1.25 -1.00 0.00 0.00 179.01 179.78 2kga h LEU 74 N 0.92 0.47 -0.20 1.33 7.12 -1.10 -1.61 115.31 122.25 2kga h LEU 74 Ca 0.19 -0.30 0.04 0.00 0.13 0.00 0.00 57.88 57.94 2kga h LEU 74 Cb 0.37 -0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 40.34 2kga h LEU 74 CO 0.00 0.66 -0.07 0.25 -0.13 0.00 0.00 178.44 179.16 2kga h LEU 75 N 0.27 -0.23 -1.05 2.25 5.85 0.30 -0.59 115.31 122.11 2kga h LEU 75 Ca 0.08 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.88 2kga h LEU 75 Cb 0.42 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 2kga h LEU 75 CO 0.01 -0.09 0.64 -0.78 -0.34 0.00 0.00 178.44 177.88 2kga h ASP 76 N -0.03 1.10 -0.57 1.25 3.58 -1.30 0.71 116.42 121.16 2kga h ASP 76 Ca 0.10 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 2kga h ASP 76 Cb 0.18 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 2kga h ASP 76 CO -0.22 0.79 0.21 0.25 -2.88 0.00 0.00 179.24 177.39 2kga h LEU 77 N 1.29 0.79 -0.00 2.28 7.12 -0.36 0.41 115.31 126.85 2kga h LEU 77 Ca 0.36 -0.18 -0.00 0.00 0.13 0.00 0.00 57.88 58.19 2kga h LEU 77 Cb -0.12 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 39.81 2kga h LEU 77 CO -0.09 0.76 0.00 0.40 -0.13 0.00 0.00 178.44 179.39 2kga h ILE 78 N 0.78 1.24 -0.32 4.05 1.08 -0.66 -0.82 117.51 122.86 2kga h ILE 78 Ca 0.19 -0.69 -0.03 0.00 -0.39 0.00 0.00 64.86 63.94 2kga h ILE 78 Cb 0.23 1.70 -0.02 0.00 -3.07 0.00 0.00 36.82 35.66 2kga h ILE 78 CO -0.01 0.18 0.09 0.78 -0.69 0.00 0.00 178.15 178.49 2kga h ASN 79 N -0.29 0.41 -0.35 1.72 2.35 -0.67 0.18 115.58 118.93 2kga h ASN 79 Ca 0.00 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 2kga h ASN 79 Cb 0.29 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2kga h ASN 79 CO 0.00 0.41 -0.01 1.23 -1.65 0.00 0.00 177.43 177.41 2kga h GLY 80 N 0.66 0.68 1.49 2.83 0.00 -0.02 -1.26 103.07 107.44 2kga h GLY 80 Ca 0.11 -0.51 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 2kga h GLY 80 CO -0.01 0.47 -0.38 0.00 0.00 0.00 0.00 176.54 176.62 2kga h ALA 81 N 0.85 0.88 -0.53 3.60 0.00 -0.32 -1.37 119.26 122.37 2kga h ALA 81 Ca 0.10 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2kga h ALA 81 Cb 0.48 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2kga h ALA 81 CO 0.02 0.64 0.15 -0.07 0.00 0.00 0.00 179.25 179.98 2kga h LEU 82 N 0.47 0.73 -0.59 0.00 3.38 -0.57 0.17 115.31 118.90 2kga h LEU 82 Ca 0.05 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 2kga h LEU 82 Cb 0.87 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2kga h LEU 82 CO 0.07 0.70 -0.14 0.00 0.09 0.00 0.00 178.44 179.17 2kga h ALA 83 N 1.40 0.79 -0.19 1.53 0.00 -0.72 -3.25 119.26 118.82 2kga h ALA 83 Ca 0.17 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2kga h ALA 83 Cb 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kga h ALA 83 CO -0.01 0.66 -0.39 0.93 0.00 0.00 0.00 179.25 180.45 2kga h GLU 84 N 0.87 0.59 0.00 0.00 4.39 -0.75 -3.45 114.58 116.23 2kga h GLU 84 Ca 0.13 -0.39 -0.41 0.00 0.34 0.00 0.00 59.36 59.03 2kga h GLU 84 Cb 0.69 0.05 0.15 0.00 -0.10 0.00 0.00 28.75 29.55 2kga h GLU 84 CO 0.05 1.00 0.36 0.00 -1.16 0.00 0.00 179.01 179.26 2kga n ALA 85 N -2.52 -1.22 -0.56 3.43 0.00 0.54 -5.10 120.51 115.09 2kga n ALA 85 Ca -0.06 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.72 2kga n ALA 85 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2kga n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50