#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg9 s ALA 2 N 0.00 0.20 -0.60 3.04 0.00 -1.26 -5.09 121.76 118.05 2kg9 s ALA 2 Ca 0.00 0.24 -0.27 0.00 0.00 0.00 0.00 51.96 51.93 2kg9 s ALA 2 Cb 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.87 2kg9 s ALA 2 CO 0.00 -0.10 1.14 0.95 0.00 0.00 0.00 175.76 177.76 2kg9 s THR 3 N 1.06 4.07 0.24 0.00 -4.23 -1.26 -4.98 115.64 110.55 2kg9 s THR 3 Ca -0.09 0.67 0.09 0.00 -1.18 0.00 0.00 61.69 61.18 2kg9 s THR 3 Cb -0.13 -4.71 -0.05 0.00 1.34 0.00 0.00 72.50 68.95 2kg9 s THR 3 CO -0.02 -1.36 -0.16 -0.76 -0.54 0.00 0.00 174.62 171.78 2kg9 s LEU 4 N 4.81 2.57 0.22 4.79 1.43 -1.26 -4.69 118.68 126.55 2kg9 s LEU 4 Ca 0.39 -1.04 -0.22 0.00 -1.03 0.00 0.00 54.13 52.22 2kg9 s LEU 4 Cb -0.09 -0.84 -0.08 0.00 0.03 0.00 0.00 46.19 45.21 2kg9 s LEU 4 CO 0.22 -0.11 0.77 -0.76 0.23 0.00 0.00 176.35 176.71 2kg9 s LEU 5 N -3.41 4.43 0.55 1.79 1.43 -1.26 -5.07 118.68 117.13 2kg9 s LEU 5 Ca 0.26 1.55 0.09 0.00 -1.03 0.00 0.00 54.13 55.01 2kg9 s LEU 5 Cb -0.02 -3.55 0.07 0.00 0.03 0.00 0.00 46.19 42.72 2kg9 s LEU 5 CO 0.11 0.08 0.75 0.42 0.23 0.00 0.00 176.35 177.93 2kg9 s THR 6 N -1.41 2.29 0.23 5.49 -4.23 -1.26 -4.95 115.64 111.80 2kg9 s THR 6 Ca 0.42 -1.01 -0.07 0.00 -1.18 0.00 0.00 61.69 59.85 2kg9 s THR 6 Cb -0.19 -2.30 0.20 0.00 1.34 0.00 0.00 72.50 71.55 2kg9 s THR 6 CO 0.23 0.00 1.86 0.74 -0.54 0.00 0.00 174.62 176.91 2kg9 h THR 7 N 0.27 1.07 -0.50 3.99 2.02 -1.98 -1.13 112.91 116.64 2kg9 h THR 7 Ca -0.32 -0.33 0.03 0.00 0.77 0.00 0.00 66.41 66.56 2kg9 h THR 7 Cb 1.29 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 2kg9 h THR 7 CO 0.42 0.18 0.28 -0.78 0.37 0.00 0.00 175.52 175.99 2kg9 h ASP 8 N 0.97 0.44 -0.55 4.18 1.82 -1.98 0.32 116.42 121.62 2kg9 h ASP 8 Ca 0.35 0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.90 2kg9 h ASP 8 Cb 0.10 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.02 2kg9 h ASP 8 CO -0.15 0.31 -0.05 0.44 -1.61 0.00 0.00 179.24 178.18 2kg9 h ASP 9 N 0.56 1.00 -0.45 2.28 3.32 -1.82 -2.33 116.42 118.96 2kg9 h ASP 9 Ca 0.21 -0.33 -0.12 0.00 0.02 0.00 0.00 57.03 56.81 2kg9 h ASP 9 Cb 0.07 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2kg9 h ASP 9 CO -0.12 1.09 -0.19 0.25 -1.72 0.00 0.00 179.24 178.55 2kg9 h LEU 10 N 0.88 0.97 0.09 1.55 5.85 -0.87 -3.07 115.31 120.71 2kg9 h LEU 10 Ca 0.15 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.54 2kg9 h LEU 10 Cb 0.61 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 2kg9 h LEU 10 CO 0.04 1.13 -0.30 -0.09 -0.34 0.00 0.00 178.44 178.88 2kg9 h ARG 11 N 0.83 -0.48 -0.51 1.25 2.43 0.05 -1.31 114.38 116.65 2kg9 h ARG 11 Ca 0.12 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.37 2kg9 h ARG 11 Cb 0.75 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 2kg9 h ARG 11 CO 0.06 -0.32 0.34 0.07 -1.51 0.00 0.00 179.97 178.61 2kg9 h ARG 12 N -0.50 0.48 -0.08 0.20 0.11 -1.46 0.15 114.38 113.28 2kg9 h ARG 12 Ca 0.04 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.07 2kg9 h ARG 12 Cb 0.54 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 31.51 2kg9 h ARG 12 CO -0.20 0.32 -0.01 0.00 0.10 0.00 0.00 179.97 180.18 2kg9 h ALA 13 N 1.72 0.11 -0.27 0.08 0.00 -1.27 -0.21 119.26 119.41 2kg9 h ALA 13 Ca 0.22 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2kg9 h ALA 13 Cb 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2kg9 h ALA 13 CO -0.06 -0.18 -0.25 -0.07 0.00 0.00 0.00 179.25 178.69 2kg9 h LEU 14 N -0.17 0.53 -1.54 0.00 -0.00 -0.69 -1.75 115.31 111.68 2kg9 h LEU 14 Ca 0.02 -0.18 -0.05 0.00 -0.00 0.00 0.00 57.88 57.67 2kg9 h LEU 14 Cb 0.40 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 2kg9 h LEU 14 CO 0.01 0.77 -0.21 0.58 -0.00 0.00 0.00 178.44 179.59 2kg9 h VAL 15 N 0.46 1.16 0.33 1.22 2.07 -0.63 -3.17 116.25 117.69 2kg9 h VAL 15 Ca 0.07 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2kg9 h VAL 15 Cb 0.69 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2kg9 h VAL 15 CO 0.05 0.22 -0.16 -0.08 0.02 0.00 0.00 177.57 177.62 2kg9 h GLU 16 N 0.02 -0.42 -0.00 1.57 4.57 -0.10 -0.46 114.58 119.76 2kg9 h GLU 16 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2kg9 h GLU 16 Cb 0.39 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2kg9 h GLU 16 CO 0.03 -0.10 -0.01 -1.13 -1.18 0.00 0.00 179.01 176.62 2kg9 n SER 17 N -5.13 0.15 -0.36 1.04 3.41 -1.15 -1.73 113.62 109.85 2kg9 n SER 17 Ca -0.09 -0.70 0.05 0.00 -0.26 0.00 0.00 58.87 57.86 2kg9 n SER 17 Cb 0.27 -0.10 0.04 0.00 -0.26 0.00 0.00 64.21 64.16 2kg9 n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kg9 n ALA 18 N -1.02 2.49 1.14 7.33 0.00 -1.20 -4.62 120.51 124.63 2kg9 n ALA 18 Ca 0.19 -0.57 0.08 0.00 0.00 0.00 0.00 53.44 53.15 2kg9 n ALA 18 Cb 0.19 -0.30 0.50 0.00 0.00 0.00 0.00 19.45 19.83 2kg9 n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kg9 n GLY 19 N 0.51 -0.57 0.23 0.00 0.00 -0.19 -1.25 105.19 103.93 2kg9 n GLY 19 Ca 0.05 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.12 2kg9 n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kg9 n GLU 20 N -0.96 1.25 -2.63 1.61 -0.58 -1.26 -4.91 120.64 113.17 2kg9 n GLU 20 Ca 0.13 -0.47 -0.09 0.00 -0.42 0.00 0.00 57.16 56.30 2kg9 n GLU 20 Cb 0.06 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.48 2kg9 n GLU 20 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2kg9 n THR 21 N -0.46 -5.23 -3.52 2.62 -1.04 -0.38 -5.02 114.28 101.25 2kg9 n THR 21 Ca 0.20 -0.66 -0.37 0.00 -2.04 0.00 0.00 64.05 61.18 2kg9 n THR 21 Cb 0.25 -4.79 -0.07 0.00 -1.82 0.00 0.00 70.33 63.90 2kg9 n THR 21 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2kg9 s ASP 22 N -3.39 6.49 0.49 8.00 1.01 -1.20 -4.94 116.67 123.12 2kg9 s ASP 22 Ca 0.20 0.57 0.00 0.00 0.71 0.00 0.00 52.55 54.03 2kg9 s ASP 22 Cb -0.03 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.71 2kg9 s ASP 22 CO 0.44 0.12 0.00 0.61 0.21 0.00 0.00 175.17 176.54 2kg9 n GLY 23 N 3.21 0.44 2.98 0.21 0.00 -1.26 -3.72 105.19 107.05 2kg9 n GLY 23 Ca -0.12 0.71 -0.31 0.00 0.00 0.00 0.00 46.02 46.30 2kg9 n GLY 23 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kg9 s THR 24 N 0.00 1.92 -0.65 2.61 -1.32 -1.26 -5.06 115.64 111.88 2kg9 s THR 24 Ca 0.00 -1.78 -0.27 0.00 -1.21 0.00 0.00 61.69 58.43 2kg9 s THR 24 Cb 0.00 -2.25 0.00 0.00 -1.51 0.00 0.00 72.50 68.74 2kg9 s THR 24 CO 0.00 -0.33 1.60 -0.62 -2.21 0.00 0.00 174.62 173.07 2kg9 s ASP 25 N 1.15 5.69 0.30 8.08 -1.08 -1.24 -4.75 116.67 124.82 2kg9 s ASP 25 Ca 0.01 0.07 0.06 0.00 -0.52 0.00 0.00 52.55 52.17 2kg9 s ASP 25 Cb -0.19 -2.54 0.80 0.00 -1.46 0.00 0.00 42.92 39.52 2kg9 s ASP 25 CO -0.09 -2.10 1.68 0.17 0.52 0.00 0.00 175.17 175.35 2kg9 h LEU 26 N 14.81 0.29 1.58 -1.34 8.10 -1.88 -3.46 115.31 133.41 2kg9 h LEU 26 Ca -0.27 0.17 -0.16 0.00 0.11 0.00 0.00 57.88 57.73 2kg9 h LEU 26 Cb 1.11 0.17 -0.06 0.00 -0.44 0.00 0.00 40.66 41.45 2kg9 h LEU 26 CO 1.23 -0.06 -0.23 -1.54 -4.11 0.00 0.00 178.44 173.73 2kg9 n SER 27 N -5.09 -1.99 0.00 0.17 3.41 -1.26 -1.15 113.62 107.71 2kg9 n SER 27 Ca 0.24 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2kg9 n SER 27 Cb 0.73 -1.77 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 2kg9 n SER 27 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kg9 n GLY 28 N -0.70 3.44 3.31 5.00 0.00 -1.26 -5.06 105.19 109.91 2kg9 n GLY 28 Ca -0.02 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 2kg9 n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kg9 s ASP 29 N -0.09 5.61 0.00 1.61 2.15 -0.30 -4.66 116.67 120.98 2kg9 s ASP 29 Ca 0.00 -1.26 0.00 0.00 0.43 0.00 0.00 52.55 51.72 2kg9 s ASP 29 Cb 0.00 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 2kg9 s ASP 29 CO 0.00 -0.44 0.00 2.22 -0.17 0.00 0.00 175.17 176.78 2kg9 n PHE 30 N 4.92 0.00 -0.15 -5.34 -1.74 -1.26 -4.62 117.46 109.28 2kg9 n PHE 30 Ca -0.11 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 56.74 2kg9 n PHE 30 Cb 0.44 0.00 0.02 0.00 1.52 0.00 0.00 39.48 41.47 2kg9 n PHE 30 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 2kg9 h LEU 31 N 0.00 -0.66 -2.63 5.98 5.85 -1.97 -0.83 115.31 121.05 2kg9 h LEU 31 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2kg9 h LEU 31 Cb 0.00 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2kg9 h LEU 31 CO 0.00 -0.22 0.00 -0.90 -0.34 0.00 0.00 178.44 176.98 2kg9 n ASP 32 N -5.39 3.85 -4.80 1.25 5.75 -1.26 -1.65 116.55 114.30 2kg9 n ASP 32 Ca 0.04 -2.00 -0.37 0.00 -0.01 0.00 0.00 54.79 52.44 2kg9 n ASP 32 Cb 0.30 -0.43 -0.06 0.00 -1.03 0.00 0.00 41.12 39.90 2kg9 n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2kg9 s LEU 33 N -1.14 4.42 0.12 -2.12 1.02 -0.32 -4.94 118.68 115.72 2kg9 s LEU 33 Ca 0.47 1.56 -0.30 0.00 0.02 0.00 0.00 54.13 55.88 2kg9 s LEU 33 Cb 0.25 -3.56 -0.06 0.00 0.02 0.00 0.00 46.19 42.83 2kg9 s LEU 33 CO 0.33 0.07 1.09 -0.60 0.02 0.00 0.00 176.35 177.27 2kg9 s ARG 34 N -1.72 4.56 0.21 1.70 3.00 -1.26 -4.10 118.95 121.33 2kg9 s ARG 34 Ca 0.42 1.66 -0.17 0.00 -1.00 0.00 0.00 55.73 56.63 2kg9 s ARG 34 Cb -0.19 -3.33 0.20 0.00 0.00 0.00 0.00 34.95 31.63 2kg9 s ARG 34 CO 0.23 -0.01 1.59 0.74 0.00 0.00 0.00 175.30 177.85 2kg9 h PHE 35 N 5.83 -0.74 -0.45 5.12 0.04 -1.71 0.17 116.94 125.20 2kg9 h PHE 35 Ca -0.43 0.07 0.13 0.00 2.80 0.00 0.00 57.97 60.54 2kg9 h PHE 35 Cb 1.21 0.43 -0.02 0.00 2.20 0.00 0.00 35.95 39.77 2kg9 h PHE 35 CO 0.65 -0.36 0.37 1.05 -0.60 0.00 0.00 178.31 179.41 2kg9 h GLU 36 N -0.09 0.00 0.00 1.51 4.11 -1.58 0.28 114.58 118.81 2kg9 h GLU 36 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.72 2kg9 h GLU 36 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2kg9 h GLU 36 CO -0.74 0.00 -0.32 -3.47 0.07 0.00 0.00 179.01 174.54 2kg9 n ASP 37 N -4.14 0.49 -1.30 3.06 2.03 0.56 -2.20 116.55 115.04 2kg9 n ASP 37 Ca 0.08 0.19 0.08 0.00 0.52 0.00 0.00 54.79 55.66 2kg9 n ASP 37 Cb 0.57 -0.14 0.31 0.00 -0.72 0.00 0.00 41.12 41.13 2kg9 n ASP 37 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2kg9 n ILE 38 N -1.81 2.12 -0.90 5.18 -5.35 0.22 -4.90 119.36 113.94 2kg9 n ILE 38 Ca 0.05 -1.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.07 2kg9 n ILE 38 Cb 0.38 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 2kg9 n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kg9 n GLY 39 N 0.35 0.51 3.31 3.28 0.00 -0.94 -4.72 105.19 106.99 2kg9 n GLY 39 Ca 0.23 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 2kg9 n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kg9 s TYR 40 N -2.00 3.28 -0.18 1.61 1.51 0.72 -4.73 117.35 117.56 2kg9 s TYR 40 Ca 0.00 -1.29 -0.23 0.00 -1.01 0.00 0.00 57.07 54.54 2kg9 s TYR 40 Cb 0.00 -3.52 -0.20 0.00 -0.11 0.00 0.00 41.96 38.13 2kg9 s TYR 40 CO 0.00 -0.94 0.35 -0.44 -1.11 0.00 0.00 175.55 173.41 2kg9 h ASP 41 N 8.75 0.00 0.00 2.29 5.19 -1.88 -1.45 116.42 129.33 2kg9 h ASP 41 Ca -0.28 -0.62 0.00 0.00 -0.62 0.00 0.00 57.03 55.51 2kg9 h ASP 41 Cb 1.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.61 2kg9 h ASP 41 CO 0.95 1.30 0.00 -1.54 -3.12 0.00 0.00 179.24 176.83 2kg9 n SER 42 N -4.50 0.00 0.34 6.45 3.41 -1.26 -4.89 113.62 113.18 2kg9 n SER 42 Ca -0.24 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.19 2kg9 n SER 42 Cb 0.59 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.45 2kg9 n SER 42 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2kg9 h LEU 43 N 0.00 -1.07 -1.32 1.04 6.46 -1.94 0.17 115.31 118.65 2kg9 h LEU 43 Ca 0.00 0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.77 2kg9 h LEU 43 Cb 0.00 0.33 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 2kg9 h LEU 43 CO 0.00 -0.63 -0.13 0.00 -0.62 0.00 0.00 178.44 177.06 2kg9 h ALA 44 N -0.73 1.44 -0.35 1.25 0.00 -1.88 -3.02 119.26 115.96 2kg9 h ALA 44 Ca -0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2kg9 h ALA 44 Cb 0.81 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2kg9 h ALA 44 CO 0.05 0.39 0.17 -0.07 0.00 0.00 0.00 179.25 179.79 2kg9 h LEU 45 N 0.28 0.46 -1.34 0.00 3.38 -1.77 -1.82 115.31 114.51 2kg9 h LEU 45 Ca 0.06 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2kg9 h LEU 45 Cb 0.41 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2kg9 h LEU 45 CO 0.02 0.46 -0.26 0.00 0.09 0.00 0.00 178.44 178.76 2kg9 h MET 46 N 0.43 0.11 -0.33 1.13 -0.00 -0.90 0.56 114.93 115.93 2kg9 h MET 46 Ca 0.12 -0.03 -0.11 0.00 -0.00 0.00 0.00 59.70 59.68 2kg9 h MET 46 Cb 0.12 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.70 2kg9 h MET 46 CO -0.02 0.36 -0.21 1.49 -0.00 0.00 0.00 176.91 178.54 2kg9 h GLU 47 N 0.10 0.72 0.67 -0.10 4.22 -1.32 0.65 114.58 119.52 2kg9 h GLU 47 Ca 0.02 -0.34 -0.03 0.00 0.08 0.00 0.00 59.36 59.09 2kg9 h GLU 47 Cb 0.51 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.76 2kg9 h GLU 47 CO 0.04 0.95 -0.32 1.15 -2.18 0.00 0.00 179.01 178.64 2kg9 h THR 48 N 0.49 0.30 0.29 0.32 2.02 -0.85 -2.64 112.91 112.83 2kg9 h THR 48 Ca 0.07 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2kg9 h THR 48 Cb 0.75 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2kg9 h THR 48 CO 0.06 0.02 -0.36 0.00 0.37 0.00 0.00 175.52 175.60 2kg9 h ALA 49 N -0.72 -0.74 -0.36 6.16 0.00 -0.84 -2.30 119.26 120.47 2kg9 h ALA 49 Ca -0.09 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.78 2kg9 h ALA 49 Cb 0.71 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2kg9 h ALA 49 CO 0.15 -0.96 0.25 0.00 0.00 0.00 0.00 179.25 178.69 2kg9 h ALA 50 N -0.22 2.09 0.43 0.00 0.00 -0.94 0.28 119.26 120.91 2kg9 h ALA 50 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2kg9 h ALA 50 Cb 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2kg9 h ALA 50 CO -0.11 -0.17 -0.21 -0.09 0.00 0.00 0.00 179.25 178.67 2kg9 h ARG 51 N 0.20 -0.56 -0.50 0.00 9.65 -1.04 -1.10 114.38 121.02 2kg9 h ARG 51 Ca 0.16 0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 58.97 2kg9 h ARG 51 Cb 0.40 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.09 2kg9 h ARG 51 CO -0.03 -0.28 -0.14 -0.07 2.80 0.00 0.00 179.97 182.25 2kg9 h LEU 52 N -0.79 1.00 0.32 3.80 3.38 -0.91 -2.30 115.31 119.81 2kg9 h LEU 52 Ca -0.06 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 2kg9 h LEU 52 Cb 0.54 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2kg9 h LEU 52 CO 0.10 1.14 -0.27 -0.33 0.09 0.00 0.00 178.44 179.17 2kg9 h GLU 53 N 0.85 -0.58 -0.47 1.13 5.08 -0.47 -2.76 114.58 117.36 2kg9 h GLU 53 Ca 0.12 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2kg9 h GLU 53 Cb 0.71 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2kg9 h GLU 53 CO 0.05 -0.39 0.07 0.77 -1.00 0.00 0.00 179.01 178.52 2kg9 h SER 54 N -0.60 0.68 -0.78 1.42 0.02 -1.20 0.23 113.55 113.32 2kg9 h SER 54 Ca -0.02 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.75 2kg9 h SER 54 Cb 0.53 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 2kg9 h SER 54 CO -0.02 0.70 0.27 -0.09 -1.14 0.00 0.00 176.83 176.55 2kg9 h ARG 55 N 0.69 1.18 0.00 3.45 2.43 -1.22 -3.12 114.38 117.79 2kg9 h ARG 55 Ca 0.15 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2kg9 h ARG 55 Cb 0.32 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2kg9 h ARG 55 CO 0.00 0.98 -1.09 0.66 -1.51 0.00 0.00 179.97 179.02 2kg9 n TYR 56 N -4.26 0.00 -1.77 2.20 4.01 -1.06 -4.99 117.16 111.29 2kg9 n TYR 56 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2kg9 n TYR 56 Cb 0.21 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 2kg9 n TYR 56 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kg9 n GLY 57 N 1.43 0.92 3.87 2.72 0.00 0.67 -4.84 105.19 109.95 2kg9 n GLY 57 Ca 0.01 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 2kg9 n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kg9 s VAL 58 N -2.55 1.63 -0.08 1.61 -7.23 -0.32 -4.99 120.40 108.46 2kg9 s VAL 58 Ca 0.00 -1.59 -0.03 0.00 -1.81 0.00 0.00 61.98 58.54 2kg9 s VAL 58 Cb 0.00 -2.22 0.04 0.00 0.56 0.00 0.00 36.38 34.76 2kg9 s VAL 58 CO 0.00 0.00 0.17 -0.94 -0.31 0.00 0.00 175.10 174.02 2kg9 s SER 59 N -4.18 -0.01 -0.24 4.85 1.04 -1.26 -4.50 113.70 109.39 2kg9 s SER 59 Ca 0.29 0.36 -0.10 0.00 0.48 0.00 0.00 55.95 56.99 2kg9 s SER 59 Cb -0.01 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 2kg9 s SER 59 CO 0.18 -0.17 0.14 -0.63 0.98 0.00 0.00 173.24 173.74 2kg9 s ILE 60 N 1.39 5.06 0.15 -1.02 1.01 -1.26 -4.94 121.20 121.58 2kg9 s ILE 60 Ca -0.07 0.08 -0.34 0.00 0.00 0.00 0.00 60.65 60.31 2kg9 s ILE 60 Cb -0.11 -3.37 -0.15 0.00 0.01 0.00 0.00 42.46 38.84 2kg9 s ILE 60 CO -0.07 0.33 1.49 -2.65 0.00 0.00 0.00 174.94 174.05 2kg9 n PRO 61 N 4.51 1.84 -0.01 2.79 -0.02 -1.26 -4.86 135.00 138.00 2kg9 n PRO 61 Ca -0.15 0.66 0.18 0.00 -2.02 0.00 0.00 63.50 62.17 2kg9 n PRO 61 Cb 0.52 -2.39 0.64 0.00 -0.02 0.00 0.00 33.50 32.25 2kg9 n PRO 61 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2kg9 h ASP 62 N 5.39 0.10 1.02 2.55 2.03 -2.01 0.20 116.42 125.68 2kg9 h ASP 62 Ca -0.46 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 55.77 2kg9 h ASP 62 Cb 1.28 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 39.75 2kg9 h ASP 62 CO 0.85 0.05 -0.39 0.44 -1.03 0.00 0.00 179.24 179.16 2kg9 h ASP 63 N 0.11 0.00 1.44 4.15 3.32 -2.01 -3.05 116.42 120.38 2kg9 h ASP 63 Ca 0.25 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 2kg9 h ASP 63 Cb 0.85 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 2kg9 h ASP 63 CO -0.03 0.39 -0.30 0.58 -1.72 0.00 0.00 179.24 178.17 2kg9 h VAL 64 N 0.00 0.55 0.00 -1.35 2.07 -0.96 -2.04 116.25 114.52 2kg9 h VAL 64 Ca -0.00 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.93 2kg9 h VAL 64 Cb 1.00 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 2kg9 h VAL 64 CO 0.05 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.93 2kg9 h ALA 65 N 1.70 1.00 -0.01 1.67 0.00 -1.40 0.11 119.26 122.33 2kg9 h ALA 65 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kg9 h ALA 65 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kg9 h ALA 65 CO 0.04 0.00 -0.59 0.41 0.00 0.00 0.00 179.25 179.11 2kg9 n GLY 66 N -0.49 -0.28 0.01 0.00 0.00 -0.79 -4.20 105.19 99.43 2kg9 n GLY 66 Ca -0.00 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.51 2kg9 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kg9 n ARG 67 N -0.44 0.45 -2.74 1.61 1.74 0.21 -4.87 116.66 112.61 2kg9 n ARG 67 Ca 0.08 -0.14 -0.43 0.00 -0.77 0.00 0.00 57.85 56.60 2kg9 n ARG 67 Cb 0.43 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 2kg9 n ARG 67 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2kg9 s VAL 68 N -3.36 4.71 -0.07 1.55 -7.23 -0.15 -4.91 120.40 110.94 2kg9 s VAL 68 Ca -0.03 1.80 -0.02 0.00 -1.81 0.00 0.00 61.98 61.92 2kg9 s VAL 68 Cb 0.15 -4.26 -0.26 0.00 0.56 0.00 0.00 36.38 32.57 2kg9 s VAL 68 CO 0.90 -0.20 0.56 -0.78 -0.31 0.00 0.00 175.10 175.27 2kg9 h ASP 69 N 7.65 0.34 -4.29 4.85 3.58 -1.91 -3.46 116.42 123.19 2kg9 h ASP 69 Ca -0.21 -0.66 -0.30 0.00 0.42 0.00 0.00 57.03 56.28 2kg9 h ASP 69 Cb 1.07 -0.11 -0.16 0.00 1.72 0.00 0.00 39.33 41.85 2kg9 h ASP 69 CO 0.95 1.58 -0.72 0.42 -2.88 0.00 0.00 179.24 178.59 2kg9 s THR 70 N -2.58 0.96 0.41 2.25 -4.23 -1.26 -2.17 115.64 109.02 2kg9 s THR 70 Ca -0.15 -1.84 0.12 0.00 -1.18 0.00 0.00 61.69 58.63 2kg9 s THR 70 Cb 0.07 -1.59 0.32 0.00 1.34 0.00 0.00 72.50 72.64 2kg9 s THR 70 CO 0.81 -0.69 1.95 -0.65 -0.54 0.00 0.00 174.62 175.50 2kg9 h PRO 71 N 3.18 0.51 -0.58 3.99 0.11 -1.70 -0.57 132.00 136.93 2kg9 h PRO 71 Ca -0.37 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.83 2kg9 h PRO 71 Cb 1.18 -0.11 -0.10 0.00 0.11 0.00 0.00 31.00 32.08 2kg9 h PRO 71 CO 0.59 0.34 -0.00 -0.09 -0.21 0.00 0.00 178.00 178.62 2kg9 h ARG 72 N 0.52 0.11 -0.21 1.05 9.65 -1.64 0.38 114.38 124.25 2kg9 h ARG 72 Ca 0.32 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 59.15 2kg9 h ARG 72 Cb 0.56 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 2kg9 h ARG 72 CO -0.11 0.07 -0.06 1.49 2.80 0.00 0.00 179.97 184.17 2kg9 h GLU 73 N 0.12 0.41 -0.38 0.20 4.57 -1.44 -3.08 114.58 114.97 2kg9 h GLU 73 Ca 0.30 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.24 2kg9 h GLU 73 Cb 0.48 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 2kg9 h GLU 73 CO -0.50 0.67 -0.10 1.25 -1.18 0.00 0.00 179.01 179.15 2kg9 h LEU 74 N 0.13 0.64 0.11 1.64 7.12 -0.69 -2.33 115.31 121.93 2kg9 h LEU 74 Ca 0.05 -0.17 0.01 0.00 0.13 0.00 0.00 57.88 57.90 2kg9 h LEU 74 Cb 0.52 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.46 2kg9 h LEU 74 CO 0.02 0.78 -0.20 0.25 -0.13 0.00 0.00 178.44 179.16 2kg9 h LEU 75 N 0.60 -0.56 -1.39 2.25 5.85 -0.28 -2.25 115.31 119.53 2kg9 h LEU 75 Ca 0.11 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 2kg9 h LEU 75 Cb 0.53 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2kg9 h LEU 75 CO 0.03 -0.28 -0.31 -0.78 -0.34 0.00 0.00 178.44 176.76 2kg9 h ASP 76 N -0.39 0.00 -0.33 1.25 3.58 -1.41 -0.52 116.42 118.61 2kg9 h ASP 76 Ca 0.02 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 2kg9 h ASP 76 Cb 0.40 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2kg9 h ASP 76 CO -0.11 0.31 0.09 0.25 -2.88 0.00 0.00 179.24 176.90 2kg9 h LEU 77 N 0.00 0.50 -0.68 2.28 7.12 -1.12 -0.11 115.31 123.30 2kg9 h LEU 77 Ca -0.00 -0.22 -0.13 0.00 0.13 0.00 0.00 57.88 57.65 2kg9 h LEU 77 Cb 0.56 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 2kg9 h LEU 77 CO 0.04 0.59 -0.36 0.40 -0.13 0.00 0.00 178.44 178.98 2kg9 h ILE 78 N 0.38 1.29 -0.35 4.05 2.04 -0.76 -2.23 117.51 121.93 2kg9 h ILE 78 Ca 0.10 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 2kg9 h ILE 78 Cb 0.28 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2kg9 h ILE 78 CO 0.00 0.48 0.09 0.78 0.00 0.00 0.00 178.15 179.50 2kg9 h ASN 79 N 0.52 0.47 0.11 1.72 2.35 -0.81 0.41 115.58 120.34 2kg9 h ASN 79 Ca 0.05 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 2kg9 h ASN 79 Cb 0.86 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 2kg9 h ASN 79 CO 0.07 0.47 -0.40 1.23 -1.65 0.00 0.00 177.43 177.16 2kg9 h GLY 80 N 0.73 0.41 1.35 2.83 0.00 -0.54 -2.29 103.07 105.57 2kg9 h GLY 80 Ca 0.12 -0.39 -0.20 0.00 0.00 0.00 0.00 47.33 46.85 2kg9 h GLY 80 CO -0.00 0.36 -0.72 0.00 0.00 0.00 0.00 176.54 176.17 2kg9 h ALA 81 N 1.26 0.46 0.00 3.60 0.00 -0.61 -3.07 119.26 120.91 2kg9 h ALA 81 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2kg9 h ALA 81 Cb 0.84 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2kg9 h ALA 81 CO 0.07 0.71 0.00 -0.07 0.00 0.00 0.00 179.25 179.96 2kg9 h LEU 82 N 0.45 0.00 -1.57 0.00 3.38 0.04 -1.42 115.31 116.19 2kg9 h LEU 82 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2kg9 h LEU 82 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2kg9 h LEU 82 CO 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.61 2kg9 h ALA 83 N 2.00 1.65 -0.00 1.53 0.00 -1.31 -1.22 119.26 121.90 2kg9 h ALA 83 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kg9 h ALA 83 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kg9 h ALA 83 CO 0.00 0.26 -0.26 0.39 0.00 0.00 0.00 179.25 179.64 2kg9 n GLU 84 N -4.35 0.50 -1.67 0.00 -0.58 -0.54 -4.85 120.64 109.15 2kg9 n GLU 84 Ca -0.01 -0.25 -0.03 0.00 -0.42 0.00 0.00 57.16 56.46 2kg9 n GLU 84 Cb 0.21 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 2kg9 n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kg9 n ALA 85 N -1.04 0.11 -1.54 0.62 0.00 -0.46 -5.14 120.51 113.06 2kg9 n ALA 85 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2kg9 n ALA 85 Cb 0.32 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2kg9 n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50