#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dax n SER 2 N 0.00 1.57 -4.90 1.61 2.88 -1.26 -4.91 113.62 108.60 2dax n SER 2 Ca 0.00 0.53 -0.28 0.00 -1.33 0.00 0.00 58.87 57.79 2dax n SER 2 Cb 0.00 -1.11 0.01 0.00 -0.75 0.00 0.00 64.21 62.35 2dax n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dax s SER 3 N 6.75 6.16 0.00 -3.46 0.01 -1.26 -4.47 113.70 117.43 2dax s SER 3 Ca 1.14 0.98 0.00 0.00 1.31 0.00 0.00 55.95 59.37 2dax s SER 3 Cb -1.12 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 62.90 2dax s SER 3 CO 0.56 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2dax n GLY 4 N -2.38 3.08 3.69 3.44 0.00 -1.26 -5.04 105.19 106.71 2dax n GLY 4 Ca 0.02 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 2dax n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dax s SER 5 N 0.00 5.21 0.23 1.61 0.01 -1.26 -5.11 113.70 114.39 2dax s SER 5 Ca 0.00 0.08 -0.08 0.00 1.31 0.00 0.00 55.95 57.26 2dax s SER 5 Cb 0.00 -1.42 -0.02 0.00 0.21 0.00 0.00 66.02 64.79 2dax s SER 5 CO 0.00 0.33 0.34 -0.55 0.41 0.00 0.00 173.24 173.77 2dax s SER 6 N -1.25 0.05 -1.29 2.44 0.15 -1.26 -5.03 113.70 107.51 2dax s SER 6 Ca 0.17 -1.13 -0.14 0.00 0.70 0.00 0.00 55.95 55.54 2dax s SER 6 Cb -0.11 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.67 2dax s SER 6 CO 0.07 -1.03 2.30 0.61 1.20 0.00 0.00 173.24 176.39 2dax n GLY 7 N -0.35 3.86 0.12 9.45 0.00 -1.26 -4.62 105.19 112.39 2dax n GLY 7 Ca -0.00 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 2dax n GLY 7 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2dax h GLU 8 N 6.24 0.29 -0.43 1.61 4.11 -2.00 -3.29 114.58 121.11 2dax h GLU 8 Ca 0.59 -0.16 0.04 0.00 0.07 0.00 0.00 59.36 59.90 2dax h GLU 8 Cb 0.53 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 2dax h GLU 8 CO 1.84 0.72 -0.38 0.37 0.07 0.00 0.00 179.01 181.64 2dax h GLN 9 N -0.13 -0.15 -0.98 1.06 4.15 -1.96 0.19 115.11 117.29 2dax h GLN 9 Ca 0.01 0.01 0.32 0.00 0.77 0.00 0.00 58.65 59.76 2dax h GLN 9 Cb 0.68 0.03 -0.18 0.00 0.21 0.00 0.00 27.48 28.23 2dax h GLN 9 CO 0.03 -0.10 0.23 0.00 -1.93 0.00 0.00 178.83 177.06 2dax h ALA 10 N -0.29 1.53 -0.27 3.38 0.00 -1.92 0.58 119.26 122.28 2dax h ALA 10 Ca 0.07 0.30 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2dax h ALA 10 Cb 0.34 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2dax h ALA 10 CO -0.48 -0.69 0.01 0.93 0.00 0.00 0.00 179.25 179.01 2dax h GLU 11 N 0.03 0.48 -0.98 0.00 5.08 -0.79 -2.66 114.58 115.74 2dax h GLU 11 Ca 0.68 -0.15 0.20 0.00 -1.00 0.00 0.00 59.36 59.09 2dax h GLU 11 Cb 1.57 -0.04 -0.19 0.00 0.50 0.00 0.00 28.75 30.59 2dax h GLU 11 CO -0.84 0.63 -0.24 0.00 -1.00 0.00 0.00 179.01 177.56 2dax h ALA 12 N 0.83 0.66 0.42 3.43 0.00 0.21 0.55 119.26 125.36 2dax h ALA 12 Ca 0.08 0.38 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2dax h ALA 12 Cb 0.41 0.74 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2dax h ALA 12 CO 0.01 -0.39 -0.20 1.96 0.00 0.00 0.00 179.25 180.63 2dax h GLN 13 N 0.00 -0.54 -0.22 0.00 4.20 -1.47 -3.18 115.11 113.89 2dax h GLN 13 Ca 0.47 0.04 0.03 0.00 0.06 0.00 0.00 58.65 59.25 2dax h GLN 13 Cb 0.73 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.59 2dax h GLN 13 CO -1.01 -0.36 -0.32 1.25 -0.67 0.00 0.00 178.83 177.72 2dax h LEU 14 N -1.04 -1.05 -0.75 1.46 5.85 -0.98 -1.98 115.31 116.82 2dax h LEU 14 Ca -0.06 0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.87 2dax h LEU 14 Cb 0.43 0.43 -0.09 0.00 0.37 0.00 0.00 40.66 41.80 2dax h LEU 14 CO 0.09 -0.23 -0.43 0.00 -0.34 0.00 0.00 178.44 177.53 2dax n ALA 15 N -2.92 -0.45 -0.09 1.25 0.00 0.18 0.33 120.51 118.81 2dax n ALA 15 Ca -0.02 0.64 -0.08 0.00 0.00 0.00 0.00 53.44 53.99 2dax n ALA 15 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.51 2dax n ALA 15 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dax h GLU 16 N 0.00 -0.24 -0.01 0.00 4.81 -1.36 -2.06 114.58 115.72 2dax h GLU 16 Ca 0.13 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2dax h GLU 16 Cb 0.32 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 2dax h GLU 16 CO -0.71 -0.16 -0.25 -0.07 -0.73 0.00 0.00 179.01 177.09 2dax h LEU 17 N -0.25 -0.78 -1.00 1.64 3.38 0.57 0.14 115.31 119.01 2dax h LEU 17 Ca 0.16 0.09 0.39 0.00 0.09 0.00 0.00 57.88 58.62 2dax h LEU 17 Cb 0.51 0.30 -0.18 0.00 0.09 0.00 0.00 40.66 41.38 2dax h LEU 17 CO -0.48 -0.24 0.49 -0.78 0.09 0.00 0.00 178.44 177.51 2dax h ASP 18 N -0.31 0.25 0.55 -0.43 3.58 -0.93 0.21 116.42 119.34 2dax h ASP 18 Ca 0.01 0.26 -0.03 0.00 0.42 0.00 0.00 57.03 57.69 2dax h ASP 18 Cb 0.34 0.28 0.01 0.00 1.72 0.00 0.00 39.33 41.68 2dax h ASP 18 CO -0.17 -0.40 -0.26 0.25 -2.88 0.00 0.00 179.24 175.77 2dax h LEU 19 N 0.03 -0.63 -0.93 2.28 5.85 -0.48 -3.26 115.31 118.17 2dax h LEU 19 Ca 0.81 0.02 0.21 0.00 0.84 0.00 0.00 57.88 59.76 2dax h LEU 19 Cb 2.08 0.16 -0.18 0.00 0.37 0.00 0.00 40.66 43.10 2dax h LEU 19 CO -0.77 -0.23 -0.16 0.18 -0.34 0.00 0.00 178.44 177.11 2dax n LEU 20 N -5.17 -0.27 -0.27 2.25 4.77 0.37 0.82 117.00 119.49 2dax n LEU 20 Ca -0.09 1.60 0.06 0.00 -0.03 0.00 0.00 56.01 57.55 2dax n LEU 20 Cb 0.29 -0.51 0.17 0.00 -2.33 0.00 0.00 43.42 41.04 2dax n LEU 20 CO 0.22 -1.56 0.81 0.00 -1.33 0.00 0.00 177.39 175.54 2dax h ALA 21 N 1.87 0.82 0.02 -1.18 0.00 -1.38 -0.15 119.26 119.26 2dax h ALA 21 Ca 0.48 0.26 -0.25 0.00 0.00 0.00 0.00 54.91 55.40 2dax h ALA 21 Cb 0.82 0.45 0.02 0.00 0.00 0.00 0.00 17.79 19.08 2dax h ALA 21 CO -0.94 -0.44 -0.99 0.77 0.00 0.00 0.00 179.25 177.65 2dax h SER 22 N 0.09 0.84 -1.07 0.00 0.02 0.34 -3.24 113.55 110.53 2dax h SER 22 Ca 0.43 -0.76 0.29 0.00 -0.84 0.00 0.00 61.79 60.91 2dax h SER 22 Cb 0.78 -0.26 -0.10 0.00 0.14 0.00 0.00 62.40 62.96 2dax h SER 22 CO -0.71 1.49 0.69 0.24 -1.14 0.00 0.00 176.83 177.41 2dax h MET 23 N 0.28 0.34 -3.14 3.45 2.07 0.85 -2.84 114.93 115.95 2dax h MET 23 Ca -0.13 -0.02 -0.73 0.00 -2.07 0.00 0.00 59.70 56.75 2dax h MET 23 Cb 1.66 -0.08 -0.34 0.00 -1.87 0.00 0.00 31.60 30.98 2dax h MET 23 CO 0.19 0.23 0.10 1.19 1.07 0.00 0.00 176.91 179.69 2dax n PHE 24 N -4.64 3.97 -0.12 -0.22 3.01 -0.57 -4.86 117.46 114.03 2dax n PHE 24 Ca 0.27 -3.82 -0.13 0.00 1.01 0.00 0.00 57.45 54.78 2dax n PHE 24 Cb 0.95 -1.18 -0.02 0.00 -0.01 0.00 0.00 39.48 39.21 2dax n PHE 24 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2dax h PRO 25 N 5.75 0.92 -4.43 -1.08 0.13 -1.69 -3.43 132.00 128.19 2dax h PRO 25 Ca 0.18 -0.49 -0.44 0.00 -0.87 0.00 0.00 66.00 64.38 2dax h PRO 25 Cb 0.76 0.02 0.14 0.00 0.13 0.00 0.00 31.00 32.05 2dax h PRO 25 CO 0.97 1.14 -0.91 0.41 -0.23 0.00 0.00 178.00 179.38 2dax n GLY 26 N 0.14 -2.50 3.70 1.56 0.00 -1.26 -4.79 105.19 102.05 2dax n GLY 26 Ca -0.02 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2dax n GLY 26 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dax s GLU 27 N -0.83 4.36 -1.17 1.61 2.12 -1.26 -3.16 118.70 120.38 2dax s GLU 27 Ca 0.41 1.85 -0.06 0.00 0.36 0.00 0.00 54.97 57.52 2dax s GLU 27 Cb -0.34 -3.43 0.01 0.00 0.26 0.00 0.00 34.13 30.62 2dax s GLU 27 CO 0.50 -0.41 1.01 0.09 -0.54 0.00 0.00 175.26 175.92 2dax n ASN 28 N 4.57 -4.78 -0.07 -1.70 3.02 -1.26 -4.92 115.26 110.12 2dax n ASN 28 Ca 0.11 -0.50 -0.12 0.00 -0.03 0.00 0.00 54.58 54.04 2dax n ASN 28 Cb 0.45 -4.57 -0.15 0.00 -0.61 0.00 0.00 39.78 34.91 2dax n ASN 28 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2dax n GLU 29 N -4.31 0.67 -3.82 3.52 -0.58 -1.19 -4.58 120.64 110.36 2dax n GLU 29 Ca -0.07 0.14 -0.13 0.00 -0.42 0.00 0.00 57.16 56.69 2dax n GLU 29 Cb 0.58 -1.63 -0.14 0.00 -0.57 0.00 0.00 31.44 29.68 2dax n GLU 29 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2dax s LEU 30 N -5.98 1.43 -0.11 -4.62 0.20 -1.26 -0.46 118.68 107.89 2dax s LEU 30 Ca -0.12 0.20 -0.00 0.00 0.69 0.00 0.00 54.13 54.89 2dax s LEU 30 Cb 0.07 0.30 0.02 0.00 -0.43 0.00 0.00 46.19 46.16 2dax s LEU 30 CO 0.79 -0.06 -0.08 -0.63 -0.29 0.00 0.00 176.35 176.08 2dax s ILE 31 N 0.33 1.02 -0.68 6.68 1.09 -0.13 -4.99 121.20 124.52 2dax s ILE 31 Ca -0.02 -0.30 -0.13 0.00 -1.10 0.00 0.00 60.65 59.09 2dax s ILE 31 Cb -0.04 -1.03 0.18 0.00 -1.06 0.00 0.00 42.46 40.51 2dax s ILE 31 CO -0.01 0.36 0.61 -0.69 -0.10 0.00 0.00 174.94 175.12 2dax s VAL 32 N 1.57 5.19 0.05 2.92 1.01 -1.26 -0.59 120.40 129.28 2dax s VAL 32 Ca 0.02 -2.14 -0.30 0.00 0.00 0.00 0.00 61.98 59.56 2dax s VAL 32 Cb -0.13 -4.27 -0.18 0.00 0.00 0.00 0.00 36.38 31.80 2dax s VAL 32 CO -0.07 -0.94 1.46 0.78 0.00 0.00 0.00 175.10 176.33 2dax h ASN 33 N 8.13 -0.68 -0.81 3.32 2.35 -1.64 -3.36 115.58 122.89 2dax h ASN 33 Ca -0.06 -0.02 -0.45 0.00 -0.55 0.00 0.00 56.30 55.22 2dax h ASN 33 Cb 1.05 0.18 -0.07 0.00 0.05 0.00 0.00 38.32 39.53 2dax h ASN 33 CO 0.85 -0.41 1.25 -0.62 -1.65 0.00 0.00 177.43 176.85 2dax s ASP 34 N -4.55 5.79 -0.05 5.81 -1.08 -0.86 -4.76 116.67 116.96 2dax s ASP 34 Ca -0.16 -1.37 -0.24 0.00 -0.52 0.00 0.00 52.55 50.26 2dax s ASP 34 Cb 0.03 -2.57 -0.24 0.00 -1.46 0.00 0.00 42.92 38.68 2dax s ASP 34 CO 0.57 -2.19 1.01 1.56 0.52 0.00 0.00 175.17 176.64 2dax h GLN 35 N 9.98 0.18 -0.74 4.34 1.08 -1.88 -3.31 115.11 124.76 2dax h GLN 35 Ca 0.20 -0.20 0.15 0.00 -1.45 0.00 0.00 58.65 57.36 2dax h GLN 35 Cb 0.97 0.06 -0.10 0.00 -0.05 0.00 0.00 27.48 28.36 2dax h GLN 35 CO 1.32 0.95 0.22 1.25 -0.95 0.00 0.00 178.83 181.62 2dax h LEU 36 N -0.51 0.11 -1.00 1.46 5.85 -1.95 0.03 115.31 119.30 2dax h LEU 36 Ca -0.04 0.13 0.37 0.00 0.84 0.00 0.00 57.88 59.19 2dax h LEU 36 Cb 1.06 0.16 -0.17 0.00 0.37 0.00 0.00 40.66 42.08 2dax h LEU 36 CO 0.06 0.01 0.50 0.00 -0.34 0.00 0.00 178.44 178.67 2dax h ALA 37 N 1.59 2.00 0.08 1.25 0.00 -1.85 0.11 119.26 122.44 2dax h ALA 37 Ca 0.41 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.57 2dax h ALA 37 Cb 0.69 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2dax h ALA 37 CO -0.47 -0.80 -0.04 0.28 0.00 0.00 0.00 179.25 178.23 2dax h VAL 38 N 0.11 0.00 -1.00 0.00 2.07 -1.16 -2.19 116.25 114.08 2dax h VAL 38 Ca 0.79 -0.70 0.37 0.00 0.82 0.00 0.00 66.70 67.97 2dax h VAL 38 Cb 1.96 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 31.55 2dax h VAL 38 CO -0.73 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.22 2dax n ALA 39 N -2.60 0.85 0.06 1.67 0.00 -0.73 0.14 120.51 119.90 2dax n ALA 39 Ca -0.01 1.04 -0.16 0.00 0.00 0.00 0.00 53.44 54.31 2dax n ALA 39 Cb 0.04 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 2dax n ALA 39 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dax h GLU 40 N 0.00 0.50 -0.97 0.00 4.39 -0.93 -3.24 114.58 114.32 2dax h GLU 40 Ca 0.76 -0.55 0.05 0.00 0.34 0.00 0.00 59.36 59.96 2dax h GLU 40 Cb 1.90 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 30.65 2dax h GLU 40 CO -0.83 1.19 0.64 1.25 -1.16 0.00 0.00 179.01 180.09 2dax h LEU 41 N 0.28 1.04 0.26 1.33 5.85 0.19 -2.60 115.31 121.65 2dax h LEU 41 Ca -0.10 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2dax h LEU 41 Cb 1.64 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.44 2dax h LEU 41 CO 0.18 0.70 -0.12 0.11 -0.34 0.00 0.00 178.44 178.96 2dax h LYS 42 N 1.20 -0.33 -0.53 1.25 1.57 -1.10 -2.98 116.57 115.64 2dax h LYS 42 Ca 0.40 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.31 2dax h LYS 42 Cb 0.07 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.35 2dax h LYS 42 CO -0.14 -0.20 -0.13 0.22 -0.57 0.00 0.00 179.45 178.64 2dax h ASP 43 N -0.38 -0.48 -0.58 0.86 1.82 -1.51 -1.87 116.42 114.29 2dax h ASP 43 Ca -0.04 0.16 0.06 0.00 -0.39 0.00 0.00 57.03 56.82 2dax h ASP 43 Cb 0.29 0.33 -0.08 0.00 0.68 0.00 0.00 39.33 40.54 2dax h ASP 43 CO 0.06 -0.17 -0.45 0.00 -1.61 0.00 0.00 179.24 177.06 2dax h ILE 45 N -0.14 0.84 -0.48 0.00 2.04 -1.39 0.02 117.51 118.39 2dax h ILE 45 Ca 0.09 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2dax h ILE 45 Cb 0.39 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2dax h ILE 45 CO -0.62 0.12 0.27 -0.33 0.00 0.00 0.00 178.15 177.58 2dax h GLU 46 N 0.63 0.65 -0.49 2.37 5.08 -0.04 -0.50 114.58 122.28 2dax h GLU 46 Ca 0.37 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2dax h GLU 46 Cb 0.40 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2dax h GLU 46 CO -0.28 0.48 0.00 1.63 -1.00 0.00 0.00 179.01 179.84 2dax n LYS 47 N -4.42 2.20 -3.26 2.33 5.02 0.15 -4.91 118.16 115.28 2dax n LYS 47 Ca 0.04 -1.71 -0.17 0.00 -2.02 0.00 0.00 58.31 54.44 2dax n LYS 47 Cb 0.09 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 2dax n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2dax n LYS 48 N 0.83 -2.31 -3.82 1.97 5.02 -0.20 -4.88 118.16 114.77 2dax n LYS 48 Ca 0.16 0.15 -0.26 0.00 -2.02 0.00 0.00 58.31 56.33 2dax n LYS 48 Cb 0.43 -4.71 -0.17 0.00 -0.02 0.00 0.00 35.03 30.57 2dax n LYS 48 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2dax s THR 49 N -2.56 0.74 0.00 -0.18 -1.32 -0.87 -4.85 115.64 106.61 2dax s THR 49 Ca 0.32 -0.33 -0.04 0.00 -1.21 0.00 0.00 61.69 60.42 2dax s THR 49 Cb -0.18 -0.96 -0.19 0.00 -1.51 0.00 0.00 72.50 69.65 2dax s THR 49 CO 0.39 0.13 2.86 0.23 -2.21 0.00 0.00 174.62 176.02 2dax n MET 50 N 5.01 1.52 -3.85 7.08 2.81 -1.26 -4.58 117.12 123.85 2dax n MET 50 Ca -0.10 -0.71 -0.24 0.00 -1.81 0.00 0.00 57.70 54.85 2dax n MET 50 Cb 0.49 -1.80 -0.17 0.00 -0.71 0.00 0.00 33.22 31.02 2dax n MET 50 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2dax s GLU 51 N 1.24 0.94 0.00 0.03 2.56 -1.26 -4.88 118.70 117.34 2dax s GLU 51 Ca 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.97 55.41 2dax s GLU 51 Cb 0.23 -1.17 0.00 0.00 2.00 0.00 0.00 34.13 35.18 2dax s GLU 51 CO 0.00 -0.27 0.00 0.41 -0.56 0.00 0.00 175.26 174.84 2dax n GLY 52 N 5.00 1.90 2.56 -1.50 0.00 -1.26 -4.87 105.19 107.02 2dax n GLY 52 Ca -0.10 -0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.31 2dax n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dax n ARG 53 N 0.00 0.00 0.00 1.61 3.00 -1.26 -4.83 116.66 115.18 2dax n ARG 53 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2dax n ARG 53 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 31.38 2dax n ARG 53 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2dax n SER 54 N 1.56 1.55 -4.64 0.55 7.64 -1.26 -5.09 113.62 113.93 2dax n SER 54 Ca 0.16 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.74 2dax n SER 54 Cb 0.03 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.14 2dax n SER 54 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dax s SER 55 N -3.44 4.79 0.49 6.43 0.01 -1.26 -5.12 113.70 115.60 2dax s SER 55 Ca 0.00 -0.23 -0.18 0.00 1.31 0.00 0.00 55.95 56.85 2dax s SER 55 Cb 0.00 -1.08 -0.09 0.00 0.21 0.00 0.00 66.02 65.06 2dax s SER 55 CO 0.00 0.20 0.98 -0.54 0.41 0.00 0.00 173.24 174.28 2dax s LYS 56 N -2.11 4.02 -0.74 12.44 1.02 -1.26 -4.72 119.74 128.37 2dax s LYS 56 Ca 0.23 1.03 -0.26 0.00 0.02 0.00 0.00 55.97 56.98 2dax s LYS 56 Cb -0.11 -2.15 0.01 0.00 -0.52 0.00 0.00 37.83 35.06 2dax s LYS 56 CO 0.15 -0.21 1.54 0.08 -0.92 0.00 0.00 175.35 175.98 2dax s VAL 57 N -2.46 3.61 -0.27 3.17 1.01 -1.12 -4.79 120.40 119.55 2dax s VAL 57 Ca 0.60 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.60 2dax s VAL 57 Cb -0.10 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 2dax s VAL 57 CO 0.25 -1.50 0.27 -0.47 0.00 0.00 0.00 175.10 173.65 2dax s TYR 58 N 7.04 3.25 -0.22 5.22 5.04 -1.26 -2.31 117.35 134.11 2dax s TYR 58 Ca 0.49 0.28 -0.08 0.00 -2.44 0.00 0.00 57.07 55.33 2dax s TYR 58 Cb -0.08 -2.45 0.10 0.00 0.35 0.00 0.00 41.96 39.88 2dax s TYR 58 CO 0.13 -0.15 0.47 -0.59 -1.34 0.00 0.00 175.55 174.07 2dax s PHE 59 N 1.76 -0.93 -0.18 4.97 -0.71 -1.00 -1.46 117.98 120.42 2dax s PHE 59 Ca 0.11 1.72 -0.10 0.00 -1.04 0.00 0.00 56.93 57.61 2dax s PHE 59 Cb -0.16 0.42 -0.05 0.00 -1.21 0.00 0.00 43.02 42.03 2dax s PHE 59 CO 0.10 -0.53 0.17 0.99 -1.34 0.00 0.00 175.22 174.60 2dax s THR 60 N 2.68 5.40 -0.19 -4.49 2.01 0.24 -2.56 115.64 118.72 2dax s THR 60 Ca -0.03 0.27 -0.08 0.00 0.31 0.00 0.00 61.69 62.17 2dax s THR 60 Cb -0.12 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2dax s THR 60 CO -0.14 0.46 0.07 -0.63 -0.69 0.00 0.00 174.62 173.68 2dax s ILE 61 N 0.18 4.83 -0.31 1.82 1.01 -0.96 -0.95 121.20 126.81 2dax s ILE 61 Ca 0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 2dax s ILE 61 Cb -0.12 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 2dax s ILE 61 CO 0.00 0.45 0.19 0.20 0.00 0.00 0.00 174.94 175.78 2dax s ASN 62 N 0.44 5.80 -0.18 3.58 0.01 0.39 -1.61 114.94 123.37 2dax s ASN 62 Ca 0.04 -0.38 0.01 0.00 -0.71 0.00 0.00 52.86 51.81 2dax s ASN 62 Cb -0.12 -2.07 0.02 0.00 0.41 0.00 0.00 41.25 39.48 2dax s ASN 62 CO 0.00 -0.18 -0.18 -0.04 -1.51 0.00 0.00 177.10 175.19 2dax s MET 63 N 1.68 3.04 -0.22 -0.60 -1.94 -0.81 -4.58 119.30 115.88 2dax s MET 63 Ca 0.06 -0.81 -0.19 0.00 -1.71 0.00 0.00 55.69 53.04 2dax s MET 63 Cb -0.17 -2.61 -0.03 0.00 2.01 0.00 0.00 34.83 34.03 2dax s MET 63 CO 0.09 -0.19 0.55 0.54 -0.01 0.00 0.00 175.02 176.00 2dax s ASN 64 N 1.26 6.55 0.12 3.03 4.22 -1.26 -0.79 114.94 128.07 2dax s ASN 64 Ca 0.04 0.66 -0.08 0.00 -2.14 0.00 0.00 52.86 51.34 2dax s ASN 64 Cb -0.13 -2.30 -0.01 0.00 1.28 0.00 0.00 41.25 40.08 2dax s ASN 64 CO -0.11 -0.25 0.21 -0.76 -2.04 0.00 0.00 177.10 174.15 2dax s LEU 65 N 1.99 1.30 0.10 3.54 1.43 0.04 -4.94 118.68 122.14 2dax s LEU 65 Ca 0.24 -0.77 -0.20 0.00 -1.03 0.00 0.00 54.13 52.37 2dax s LEU 65 Cb -0.16 1.03 -0.07 0.00 0.03 0.00 0.00 46.19 47.02 2dax s LEU 65 CO 0.09 -0.79 0.60 1.51 0.23 0.00 0.00 176.35 178.00 2dax s ASP 66 N -2.91 7.08 -0.09 2.29 -4.77 -1.26 -0.85 116.67 116.16 2dax s ASP 66 Ca 0.11 1.30 -0.03 0.00 -3.30 0.00 0.00 52.55 50.63 2dax s ASP 66 Cb 0.05 -2.37 -0.04 0.00 -1.09 0.00 0.00 42.92 39.46 2dax s ASP 66 CO -0.06 0.23 -0.10 1.33 0.70 0.00 0.00 175.17 177.27 2dax n VAL 67 N 1.54 0.47 -3.95 2.11 0.24 -1.20 -4.86 118.33 112.68 2dax n VAL 67 Ca -0.09 -0.14 -0.01 0.00 -2.04 0.00 0.00 64.34 62.06 2dax n VAL 67 Cb 0.51 -1.31 0.02 0.00 -1.47 0.00 0.00 33.84 31.58 2dax n VAL 67 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2dax n SER 68 N -3.15 -1.52 -4.15 -1.34 2.88 -1.26 -5.00 113.62 100.07 2dax n SER 68 Ca -0.16 -1.64 -0.29 0.00 -1.33 0.00 0.00 58.87 55.44 2dax n SER 68 Cb 0.63 2.44 -0.06 0.00 -0.75 0.00 0.00 64.21 66.47 2dax n SER 68 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2dax n ASP 69 N -1.21 0.13 -2.47 -3.46 8.00 -1.26 0.08 116.55 116.36 2dax n ASP 69 Ca 0.01 -1.16 -0.09 0.00 0.71 0.00 0.00 54.79 54.25 2dax n ASP 69 Cb 0.58 -2.24 -0.02 0.00 -0.02 0.00 0.00 41.12 39.43 2dax n ASP 69 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2dax n GLU 70 N -4.52 -1.94 -3.95 -1.24 0.28 -1.26 -4.84 120.64 103.16 2dax n GLU 70 Ca -0.31 0.03 -0.22 0.00 -0.16 0.00 0.00 57.16 56.50 2dax n GLU 70 Cb 0.69 -3.29 -0.05 0.00 1.43 0.00 0.00 31.44 30.22 2dax n GLU 70 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2dax s LYS 71 N -4.17 2.51 0.14 3.44 1.02 0.11 -5.08 119.74 117.70 2dax s LYS 71 Ca 0.18 -1.47 0.07 0.00 0.02 0.00 0.00 55.97 54.77 2dax s LYS 71 Cb -0.11 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.87 2dax s LYS 71 CO 0.22 0.07 -0.15 -1.64 -0.92 0.00 0.00 175.35 172.93 2dax s MET 72 N -3.93 1.11 0.23 1.68 -1.94 -1.26 -3.24 119.30 111.95 2dax s MET 72 Ca 0.40 -1.30 -0.09 0.00 -1.71 0.00 0.00 55.69 52.99 2dax s MET 72 Cb -0.03 -1.05 -0.01 0.00 2.01 0.00 0.00 34.83 35.74 2dax s MET 72 CO 0.24 0.21 0.38 0.00 -0.01 0.00 0.00 175.02 175.84 2dax s ALA 73 N -2.11 0.15 -0.03 3.03 0.00 -0.03 -4.96 121.76 117.81 2dax s ALA 73 Ca 0.11 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2dax s ALA 73 Cb -0.05 1.15 -0.03 0.00 0.00 0.00 0.00 23.12 24.19 2dax s ALA 73 CO 0.04 -0.78 -0.06 1.41 0.00 0.00 0.00 175.76 176.37 2dax s MET 74 N -4.05 2.65 -0.11 0.00 1.75 -1.26 -0.78 119.30 117.49 2dax s MET 74 Ca 0.27 -0.64 0.01 0.00 -1.25 0.00 0.00 55.69 54.08 2dax s MET 74 Cb 0.02 -2.55 -0.01 0.00 2.84 0.00 0.00 34.83 35.12 2dax s MET 74 CO 0.09 0.63 -0.15 -0.06 -0.65 0.00 0.00 175.02 174.89 2dax s PHE 75 N -0.93 2.76 -0.32 4.11 0.40 0.03 -4.79 117.98 119.24 2dax s PHE 75 Ca 0.15 -0.62 -0.12 0.00 -0.60 0.00 0.00 56.93 55.74 2dax s PHE 75 Cb -0.11 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 2dax s PHE 75 CO 0.05 -0.18 0.22 -1.12 0.70 0.00 0.00 175.22 174.89 2dax s SER 76 N 0.19 6.02 -0.63 1.36 0.01 -0.73 -1.92 113.70 118.01 2dax s SER 76 Ca -0.09 -0.32 -0.06 0.00 1.31 0.00 0.00 55.95 56.79 2dax s SER 76 Cb -0.15 -2.13 0.16 0.00 0.21 0.00 0.00 66.02 64.11 2dax s SER 76 CO 0.05 -0.18 0.48 -0.76 0.41 0.00 0.00 173.24 173.24 2dax s LEU 77 N 1.73 5.65 -0.85 2.44 1.02 -0.63 -1.01 118.68 127.03 2dax s LEU 77 Ca 0.06 -2.59 -0.25 0.00 0.02 0.00 0.00 54.13 51.37 2dax s LEU 77 Cb -0.17 -1.96 0.00 0.00 0.02 0.00 0.00 46.19 44.08 2dax s LEU 77 CO 0.10 -0.48 1.65 0.00 0.02 0.00 0.00 176.35 177.64 2dax s ALA 78 N 0.33 2.29 -0.14 4.21 0.00 -1.01 -2.26 121.76 125.17 2dax s ALA 78 Ca 0.14 -1.55 -0.09 0.00 0.00 0.00 0.00 51.96 50.46 2dax s ALA 78 Cb -0.19 -4.44 -0.04 0.00 0.00 0.00 0.00 23.12 18.44 2dax s ALA 78 CO -0.04 -3.99 0.17 0.00 0.00 0.00 0.00 175.76 171.90 2dax s ILE 80 N -0.48 0.72 -0.30 0.00 1.01 -1.06 -2.39 121.20 118.71 2dax s ILE 80 Ca 0.13 -0.26 -0.18 0.00 0.00 0.00 0.00 60.65 60.34 2dax s ILE 80 Cb -0.12 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 2dax s ILE 80 CO 0.03 0.18 0.52 -0.76 0.00 0.00 0.00 174.94 174.90 2dax s LEU 81 N 1.81 4.16 0.00 2.97 1.43 -0.98 -1.38 118.68 126.70 2dax s LEU 81 Ca 0.03 0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 53.35 2dax s LEU 81 Cb -0.14 -2.63 0.11 0.00 0.03 0.00 0.00 46.19 43.56 2dax s LEU 81 CO -0.07 -0.37 0.39 -0.81 0.23 0.00 0.00 176.35 175.72 2dax n PRO 82 N 5.64 -1.79 0.00 1.29 -0.04 -1.26 -2.79 135.00 136.05 2dax n PRO 82 Ca -0.04 -0.63 0.12 0.00 -0.04 0.00 0.00 63.50 62.91 2dax n PRO 82 Cb 0.49 -0.59 0.28 0.00 -0.04 0.00 0.00 33.50 33.65 2dax n PRO 82 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2dax n PHE 83 N -3.36 0.00 -0.06 0.54 3.72 -1.26 -4.18 117.46 112.86 2dax n PHE 83 Ca 0.05 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.23 2dax n PHE 83 Cb 0.21 -0.09 -0.12 0.00 -0.94 0.00 0.00 39.48 38.54 2dax n PHE 83 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2dax n LYS 84 N -0.45 0.65 -0.34 -1.08 5.02 -1.26 -4.98 118.16 115.72 2dax n LYS 84 Ca 0.12 0.41 -0.12 0.00 -2.02 0.00 0.00 58.31 56.70 2dax n LYS 84 Cb 0.38 -1.71 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 2dax n LYS 84 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2dax n TYR 85 N -3.99 -0.27 0.47 2.13 9.36 -1.25 -2.02 117.16 121.59 2dax n TYR 85 Ca -0.34 0.21 0.08 0.00 3.32 0.00 0.00 57.90 61.17 2dax n TYR 85 Cb 0.86 -0.48 0.34 0.00 -0.63 0.00 0.00 39.34 39.43 2dax n TYR 85 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2dax n PRO 86 N 0.28 0.04 0.00 2.98 -0.04 -1.26 -4.86 135.00 132.14 2dax n PRO 86 Ca 0.04 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2dax n PRO 86 Cb 0.08 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2dax n PRO 86 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dax n ALA 87 N -1.55 0.00 -2.74 0.55 0.00 -0.86 -4.04 120.51 111.87 2dax n ALA 87 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.12 2dax n ALA 87 Cb 0.18 0.15 -0.09 0.00 0.00 0.00 0.00 19.45 19.69 2dax n ALA 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2dax s VAL 88 N -1.72 5.17 0.91 0.00 -7.23 -1.26 -4.71 120.40 111.55 2dax s VAL 88 Ca 0.00 0.11 -0.15 0.00 -1.81 0.00 0.00 61.98 60.12 2dax s VAL 88 Cb 0.00 -3.38 -0.07 0.00 0.56 0.00 0.00 36.38 33.50 2dax s VAL 88 CO 0.00 0.40 -0.13 0.18 -0.31 0.00 0.00 175.10 175.24 2dax n LEU 89 N 3.93 -2.80 0.00 1.32 4.77 -1.26 -3.91 117.00 119.05 2dax n LEU 89 Ca -0.16 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2dax n LEU 89 Cb 0.52 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2dax n LEU 89 CO 0.35 -4.68 0.00 -0.81 -1.33 0.00 0.00 177.39 170.93 2dax n PRO 90 N 0.43 -0.86 -3.58 3.23 -0.04 -1.26 -4.82 135.00 128.09 2dax n PRO 90 Ca 0.04 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.22 2dax n PRO 90 Cb 0.54 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.89 2dax n PRO 90 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2dax s GLU 91 N -2.75 1.50 0.07 0.54 2.02 -0.48 -4.95 118.70 114.65 2dax s GLU 91 Ca 0.00 -2.58 -0.18 0.00 0.02 0.00 0.00 54.97 52.23 2dax s GLU 91 Cb 0.00 -2.18 -0.07 0.00 0.10 0.00 0.00 34.13 31.99 2dax s GLU 91 CO 0.00 -1.35 0.54 0.42 0.02 0.00 0.00 175.26 174.89 2dax s ILE 92 N -0.52 4.80 -0.29 -1.63 1.01 -1.25 -2.55 121.20 120.77 2dax s ILE 92 Ca 0.30 1.10 -0.02 0.00 0.00 0.00 0.00 60.65 62.03 2dax s ILE 92 Cb 0.01 -3.84 0.10 0.00 0.01 0.00 0.00 42.46 38.73 2dax s ILE 92 CO -0.19 0.52 0.10 -0.89 0.00 0.00 0.00 174.94 174.48 2dax s THR 93 N -1.15 0.56 -0.03 2.92 2.01 -0.27 -4.94 115.64 114.73 2dax s THR 93 Ca 0.29 -1.12 -0.30 0.00 0.31 0.00 0.00 61.69 60.87 2dax s THR 93 Cb -0.18 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 2dax s THR 93 CO 0.18 -0.65 1.30 -0.69 -0.69 0.00 0.00 174.62 174.07 2dax s VAL 94 N 1.79 4.00 -0.03 3.82 1.01 -1.26 -2.41 120.40 127.31 2dax s VAL 94 Ca 0.09 1.34 0.01 0.00 0.00 0.00 0.00 61.98 63.42 2dax s VAL 94 Cb -0.17 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.37 2dax s VAL 94 CO -0.27 -0.01 -0.02 -0.13 0.00 0.00 0.00 175.10 174.67 2dax s ARG 95 N 2.38 0.57 -0.16 2.72 1.81 -0.18 -4.85 118.95 121.24 2dax s ARG 95 Ca 0.60 -0.03 -0.06 0.00 -1.72 0.00 0.00 55.73 54.53 2dax s ARG 95 Cb -0.28 -0.65 0.07 0.00 -0.45 0.00 0.00 34.95 33.65 2dax s ARG 95 CO 0.24 -0.10 0.32 0.45 -0.68 0.00 0.00 175.30 175.53 2dax s SER 96 N 0.90 0.13 0.56 0.23 0.15 -1.26 -1.77 113.70 112.65 2dax s SER 96 Ca -0.11 0.74 0.44 0.00 0.70 0.00 0.00 55.95 57.72 2dax s SER 96 Cb -0.14 0.94 1.60 0.00 -1.71 0.00 0.00 66.02 66.72 2dax s SER 96 CO -0.01 -0.24 1.60 -0.37 1.20 0.00 0.00 173.24 175.43 2dax h VAL 97 N 6.25 0.10 0.66 4.45 -1.51 -2.01 0.20 116.25 124.39 2dax h VAL 97 Ca -0.15 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.29 2dax h VAL 97 Cb 1.11 0.11 0.01 0.00 -2.13 0.00 0.00 31.29 30.39 2dax h VAL 97 CO 0.13 0.00 -0.32 -0.07 -1.23 0.00 0.00 177.57 176.08 2dax h LEU 98 N 0.00 -0.75-10.27 4.19 3.38 -1.95 -3.44 115.31 106.48 2dax h LEU 98 Ca 0.79 0.01 -0.51 0.00 0.09 0.00 0.00 57.88 58.25 2dax h LEU 98 Cb 3.29 0.19 0.13 0.00 0.09 0.00 0.00 40.66 44.36 2dax h LEU 98 CO -0.01 -0.50 0.33 -0.76 0.09 0.00 0.00 178.44 177.59 2dax s LEU 99 N -9.97 3.15 0.08 1.67 1.43 0.71 -4.99 118.68 110.76 2dax s LEU 99 Ca -0.17 1.93 0.01 0.00 -1.03 0.00 0.00 54.13 54.87 2dax s LEU 99 Cb 0.03 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 2dax s LEU 99 CO 0.60 -1.97 0.19 -0.94 0.23 0.00 0.00 176.35 174.45 2dax s SER 100 N -3.02 6.15 0.66 2.29 1.04 -1.26 -4.80 113.70 114.76 2dax s SER 100 Ca 0.64 0.19 0.17 0.00 0.48 0.00 0.00 55.95 57.42 2dax s SER 100 Cb -0.19 -1.83 0.90 0.00 0.10 0.00 0.00 66.02 65.00 2dax s SER 100 CO 0.51 0.15 1.51 0.08 0.98 0.00 0.00 173.24 176.47 2dax h ARG 101 N 3.01 0.00 0.00 4.02 -0.00 -1.96 0.29 114.38 119.74 2dax h ARG 101 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.52 2dax h ARG 101 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.14 2dax h ARG 101 CO 0.73 0.00 -0.00 0.77 -0.00 0.00 0.00 179.97 181.46 2dax h SER 102 N 0.00 0.00 -0.51 0.08 0.02 -2.00 -3.23 113.55 107.90 2dax h SER 102 Ca 0.01 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2dax h SER 102 Cb 1.28 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.79 2dax h SER 102 CO -0.00 0.08 0.30 0.06 -1.14 0.00 0.00 176.83 176.14 2dax h GLN 103 N -0.17 0.58 -1.00 3.45 3.07 -1.76 -1.94 115.11 117.34 2dax h GLN 103 Ca 0.00 -0.03 0.23 0.00 0.09 0.00 0.00 58.65 58.94 2dax h GLN 103 Cb 0.00 -0.13 -0.09 0.00 0.08 0.00 0.00 27.48 27.34 2dax h GLN 103 CO 0.00 0.38 0.64 0.37 0.09 0.00 0.00 178.83 180.31 2dax h GLN 104 N 0.60 0.48 0.46 0.06 5.75 -0.64 -1.90 115.11 119.91 2dax h GLN 104 Ca 0.21 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 2dax h GLN 104 Cb 0.03 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 2dax h GLN 104 CO -0.10 0.32 -0.48 1.15 -2.65 0.00 0.00 178.83 177.07 2dax h THR 105 N 0.49 0.00 -0.69 2.39 2.02 -1.36 -1.68 112.91 114.08 2dax h THR 105 Ca 0.56 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.84 2dax h THR 105 Cb 1.27 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 2dax h THR 105 CO -0.30 0.00 0.32 -0.61 0.37 0.00 0.00 175.52 175.30 2dax h GLN 106 N -0.94 0.53 -0.42 6.66 5.75 -1.42 -2.08 115.11 123.19 2dax h GLN 106 Ca -0.06 -0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.50 2dax h GLN 106 Cb 0.82 -0.12 -0.08 0.00 1.07 0.00 0.00 27.48 29.16 2dax h GLN 106 CO -0.07 0.35 -0.15 1.25 -2.65 0.00 0.00 178.83 177.56 2dax h LEU 107 N 0.55 -0.52 -0.03 -2.39 6.46 -1.05 -1.83 115.31 116.50 2dax h LEU 107 Ca 0.34 0.14 0.03 0.00 -0.12 0.00 0.00 57.88 58.28 2dax h LEU 107 Cb 0.39 0.31 -0.06 0.00 -0.73 0.00 0.00 40.66 40.57 2dax h LEU 107 CO -0.29 -0.18 -0.42 0.78 -0.62 0.00 0.00 178.44 177.71 2dax h ASN 108 N -0.05 -1.30 -0.39 1.25 2.35 -0.59 -1.03 115.58 115.82 2dax h ASN 108 Ca 0.21 0.16 0.07 0.00 -0.55 0.00 0.00 56.30 56.19 2dax h ASN 108 Cb 0.37 0.51 -0.09 0.00 0.05 0.00 0.00 38.32 39.16 2dax h ASN 108 CO -0.46 -0.45 -0.36 0.74 -1.65 0.00 0.00 177.43 175.24 2dax h THR 109 N -0.56 0.19 0.08 2.81 2.02 -1.25 -2.33 112.91 113.87 2dax h THR 109 Ca 0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.25 2dax h THR 109 Cb 0.65 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 2dax h THR 109 CO -0.34 0.00 -0.52 0.44 0.37 0.00 0.00 175.52 175.48 2dax h ASP 110 N -0.29 -1.56 -0.95 4.18 5.19 -0.90 -1.17 116.42 120.92 2dax h ASP 110 Ca 0.16 0.17 0.31 0.00 -0.62 0.00 0.00 57.03 57.05 2dax h ASP 110 Cb 0.56 0.58 -0.17 0.00 0.18 0.00 0.00 39.33 40.47 2dax h ASP 110 CO -0.54 -0.53 0.21 -0.11 -3.12 0.00 0.00 179.24 175.15 2dax n LEU 111 N -5.36 0.06 0.12 1.55 7.94 -0.43 0.08 117.00 120.95 2dax n LEU 111 Ca -0.08 1.60 -0.13 0.00 -1.11 0.00 0.00 56.01 56.29 2dax n LEU 111 Cb 0.39 -0.66 -0.08 0.00 0.53 0.00 0.00 43.42 43.61 2dax n LEU 111 CO 0.14 -1.69 0.60 0.74 -1.11 0.00 0.00 177.39 176.08 2dax h THR 112 N 0.00 0.84 -0.91 1.96 2.02 -0.80 -3.27 112.91 112.76 2dax h THR 112 Ca 0.66 -0.60 0.10 0.00 0.77 0.00 0.00 66.41 67.34 2dax h THR 112 Cb 1.55 1.18 -0.12 0.00 -1.74 0.00 0.00 68.15 69.02 2dax h THR 112 CO -0.83 0.13 -0.53 0.00 0.37 0.00 0.00 175.52 174.66 2dax h ALA 113 N 0.05 -0.39 -0.54 6.16 0.00 0.72 -0.91 119.26 124.34 2dax h ALA 113 Ca -0.03 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2dax h ALA 113 Cb 0.45 1.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.41 2dax h ALA 113 CO 0.05 -0.89 -0.32 0.34 0.00 0.00 0.00 179.25 178.44 2dax n PHE 114 N -5.33 -0.24 0.31 0.00 7.35 -0.90 -0.82 117.46 117.84 2dax n PHE 114 Ca 0.03 0.67 -0.17 0.00 -0.76 0.00 0.00 57.45 57.22 2dax n PHE 114 Cb 0.31 -0.51 -0.08 0.00 0.35 0.00 0.00 39.48 39.54 2dax n PHE 114 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dax h LEU 115 N 0.00 -0.92 -1.08 -2.13 3.38 -1.34 0.48 115.31 113.70 2dax h LEU 115 Ca 0.09 0.06 0.37 0.00 0.09 0.00 0.00 57.88 58.49 2dax h LEU 115 Cb 0.22 0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 2dax h LEU 115 CO -0.50 -0.55 0.70 0.00 0.09 0.00 0.00 178.44 178.18 2dax n GLN 116 N -5.49 -0.03 -0.04 1.13 6.02 0.00 0.58 117.38 119.55 2dax n GLN 116 Ca -0.12 0.95 -0.04 0.00 -0.01 0.00 0.00 57.00 57.79 2dax n GLN 116 Cb 0.38 -1.90 -0.01 0.00 1.02 0.00 0.00 30.24 29.73 2dax n GLN 116 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2dax n LYS 117 N -4.18 0.24 0.11 -1.09 4.81 -0.60 -4.41 118.16 113.04 2dax n LYS 117 Ca 0.31 0.20 -0.13 0.00 -0.87 0.00 0.00 58.31 57.82 2dax n LYS 117 Cb 1.22 -1.03 -0.07 0.00 0.02 0.00 0.00 35.03 35.17 2dax n LYS 117 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2dax h HIS 118 N -0.47 -1.13 -3.43 5.64 3.86 0.68 -3.36 115.15 116.94 2dax h HIS 118 Ca 0.00 0.03 -0.71 0.00 -1.16 0.00 0.00 60.37 58.52 2dax h HIS 118 Cb 0.39 0.47 -0.29 0.00 1.06 0.00 0.00 27.41 29.04 2dax h HIS 118 CO -0.17 -0.46 -0.47 0.00 0.86 0.00 0.00 177.93 177.69 2dax s HIS 120 N 1.37 2.47 0.00 0.00 5.04 -1.24 -3.78 115.29 119.14 2dax s HIS 120 Ca 0.04 -2.75 0.00 0.00 -1.54 0.00 0.00 55.06 50.81 2dax s HIS 120 Cb -0.24 -2.17 0.00 0.00 0.04 0.00 0.00 32.58 30.21 2dax s HIS 120 CO 0.00 -0.73 0.00 0.41 -2.34 0.00 0.00 174.74 172.08 2dax n GLY 121 N 3.11 1.07 3.62 1.59 0.00 -1.26 -5.11 105.19 108.20 2dax n GLY 121 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 2dax n GLY 121 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dax s ASP 122 N -2.00 -0.12 -0.78 1.61 1.01 -1.26 -4.92 116.67 110.21 2dax s ASP 122 Ca 0.00 -0.86 -0.12 0.00 0.71 0.00 0.00 52.55 52.28 2dax s ASP 122 Cb 0.00 0.60 0.20 0.00 1.01 0.00 0.00 42.92 44.74 2dax s ASP 122 CO 0.00 -1.16 0.70 0.68 0.21 0.00 0.00 175.17 175.60 2dax s VAL 123 N -4.00 5.29 -0.26 -1.27 -7.23 -1.26 -4.80 120.40 106.87 2dax s VAL 123 Ca 0.20 -2.48 -0.02 0.00 -1.81 0.00 0.00 61.98 57.87 2dax s VAL 123 Cb -0.01 -4.30 0.09 0.00 0.56 0.00 0.00 36.38 32.71 2dax s VAL 123 CO 0.08 -0.99 0.08 0.00 -0.31 0.00 0.00 175.10 173.96 2dax n ILE 125 N 5.03 1.60 -0.26 0.00 2.08 -1.26 -4.32 119.36 122.23 2dax n ILE 125 Ca -0.05 -0.63 0.05 0.00 0.56 0.00 0.00 62.75 62.67 2dax n ILE 125 Cb 0.44 -1.45 0.28 0.00 -0.75 0.00 0.00 39.64 38.16 2dax n ILE 125 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2dax h LEU 126 N 0.03 0.81 -1.03 1.39 3.38 -2.01 -1.59 115.31 116.30 2dax h LEU 126 Ca -0.51 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.65 2dax h LEU 126 Cb 1.98 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 42.46 2dax h LEU 126 CO -0.01 0.53 0.62 -1.13 0.09 0.00 0.00 178.44 178.53 2dax h ASN 127 N 0.93 0.79 0.73 -0.43 -0.73 -1.99 -1.16 115.58 113.72 2dax h ASN 127 Ca 0.36 0.09 -0.04 0.00 1.87 0.00 0.00 56.30 58.58 2dax h ASN 127 Cb 0.22 -0.06 0.01 0.00 0.27 0.00 0.00 38.32 38.76 2dax h ASN 127 CO -0.13 0.30 -0.35 0.00 -0.37 0.00 0.00 177.43 176.88 2dax h ALA 128 N 1.63 -1.05 -0.78 1.57 0.00 -1.51 -2.43 119.26 116.69 2dax h ALA 128 Ca 0.56 -0.21 0.18 0.00 0.00 0.00 0.00 54.91 55.44 2dax h ALA 128 Cb 0.86 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 2dax h ALA 128 CO -0.36 -0.97 0.13 1.79 0.00 0.00 0.00 179.25 179.83 2dax h THR 129 N -1.18 0.39 0.00 0.00 1.35 -1.40 0.78 112.91 112.84 2dax h THR 129 Ca -0.10 -0.06 -0.01 0.00 -0.55 0.00 0.00 66.41 65.69 2dax h THR 129 Cb 0.75 0.19 -0.00 0.00 -1.73 0.00 0.00 68.15 67.36 2dax h THR 129 CO 0.16 0.03 -0.04 -0.33 -0.25 0.00 0.00 175.52 175.10 2dax h GLU 130 N 0.19 0.00 0.00 4.72 5.08 -1.21 0.14 114.58 123.50 2dax h GLU 130 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 2dax h GLU 130 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2dax h GLU 130 CO -0.61 0.04 -0.52 2.35 -1.00 0.00 0.00 179.01 179.26 2dax h TRP 131 N 0.00 0.00 0.00 4.33 7.01 0.94 -3.34 115.95 124.89 2dax h TRP 131 Ca -0.00 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 2dax h TRP 131 Cb 0.07 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 2dax h TRP 131 CO 0.00 0.00 -0.52 0.28 -2.79 0.00 0.00 178.44 175.41 2dax h VAL 132 N 0.00 0.31 -1.75 2.65 2.07 0.79 -2.80 116.25 117.53 2dax h VAL 132 Ca 0.00 -1.33 0.51 0.00 0.82 0.00 0.00 66.70 66.70 2dax h VAL 132 Cb 0.97 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 2dax h VAL 132 CO 0.00 0.10 1.27 0.08 0.02 0.00 0.00 177.57 179.04 2dax h ARG 133 N -1.00 0.00 0.00 1.57 0.11 -0.97 0.52 114.38 114.61 2dax h ARG 133 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 2dax h ARG 133 Cb 0.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.68 2dax h ARG 133 CO -0.04 0.00 -0.10 1.49 0.10 0.00 0.00 179.97 181.42 2dax h GLU 134 N 0.00 0.00 -0.53 0.08 4.22 -1.71 -3.38 114.58 113.26 2dax h GLU 134 Ca 0.83 0.00 0.10 0.00 0.08 0.00 0.00 59.36 60.37 2dax h GLU 134 Cb 3.35 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 32.50 2dax h GLU 134 CO -0.01 0.00 -0.27 0.45 -2.18 0.00 0.00 179.01 177.00 2dax h HIS 135 N -0.23 -0.71 -0.02 0.92 3.86 -1.11 -2.72 115.15 115.14 2dax h HIS 135 Ca 0.00 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2dax h HIS 135 Cb 0.10 0.39 -0.00 0.00 1.06 0.00 0.00 27.41 28.96 2dax h HIS 135 CO -0.04 -0.34 -0.01 0.00 0.86 0.00 0.00 177.93 178.39 2dax n ALA 136 N -3.06 -0.01 -0.40 2.45 0.00 0.18 0.20 120.51 119.86 2dax n ALA 136 Ca 0.04 0.01 0.36 0.00 0.00 0.00 0.00 53.44 53.86 2dax n ALA 136 Cb 0.34 0.33 0.63 0.00 0.00 0.00 0.00 19.45 20.75 2dax n ALA 136 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2dax n SER 137 N -2.74 0.26 0.45 0.00 3.41 -1.03 -0.38 113.62 113.59 2dax n SER 137 Ca 0.00 1.45 -0.19 0.00 -0.26 0.00 0.00 58.87 59.88 2dax n SER 137 Cb 0.00 -0.71 -0.09 0.00 -0.26 0.00 0.00 64.21 63.15 2dax n SER 137 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2dax h GLY 138 N 0.00 -1.20 0.33 5.00 0.00 0.22 -3.11 103.07 104.31 2dax h GLY 138 Ca 0.84 0.44 0.12 0.00 0.00 0.00 0.00 47.33 48.73 2dax h GLY 138 CO -0.57 -0.44 0.34 -0.97 0.00 0.00 0.00 176.54 174.90 2dax h TYR 139 N -1.23 0.59 -1.87 5.60 0.05 -0.26 -3.40 116.97 116.45 2dax h TYR 139 Ca -0.12 0.03 -0.64 0.00 0.05 0.00 0.00 58.73 58.06 2dax h TYR 139 Cb 0.89 -0.15 0.01 0.00 1.01 0.00 0.00 36.73 38.49 2dax h TYR 139 CO -0.00 0.16 1.12 0.28 -1.05 0.00 0.00 178.16 178.66 2dax n VAL 140 N -4.92 0.50 -4.01 -2.88 0.31 -0.70 -4.92 118.33 101.71 2dax n VAL 140 Ca 0.13 -0.13 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 2dax n VAL 140 Cb 0.34 -1.79 -0.02 0.00 -0.91 0.00 0.00 33.84 31.46 2dax n VAL 140 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2dax s SER 141 N 4.49 0.77 -1.64 4.52 0.01 -1.26 -4.94 113.70 115.65 2dax s SER 141 Ca 0.96 -1.45 -0.11 0.00 1.31 0.00 0.00 55.95 56.66 2dax s SER 141 Cb -0.75 0.74 0.10 0.00 0.21 0.00 0.00 66.02 66.32 2dax s SER 141 CO 0.53 -1.44 0.46 -1.14 0.41 0.00 0.00 173.24 172.06 2dax n ARG 142 N -0.58 -2.07 -3.23 12.44 0.63 -1.26 -4.87 116.66 117.72 2dax n ARG 142 Ca -0.02 0.25 -0.46 0.00 -0.92 0.00 0.00 57.85 56.71 2dax n ARG 142 Cb 0.61 -4.50 -0.03 0.00 0.45 0.00 0.00 32.46 29.00 2dax n ARG 142 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2dax s ASP 143 N -3.80 6.65 -0.55 6.15 -1.08 -1.26 -4.99 116.67 117.78 2dax s ASP 143 Ca 0.41 -2.39 -0.08 0.00 -0.52 0.00 0.00 52.55 49.96 2dax s ASP 143 Cb -0.23 -2.26 0.14 0.00 -1.46 0.00 0.00 42.92 39.12 2dax s ASP 143 CO 0.96 -0.74 0.42 0.42 0.52 0.00 0.00 175.17 176.75 2dax s THR 144 N 0.98 4.29 0.10 1.71 -4.23 -1.26 -4.79 115.64 112.43 2dax s THR 144 Ca 0.19 -2.13 -0.25 0.00 -1.18 0.00 0.00 61.69 58.32 2dax s THR 144 Cb -0.12 -3.79 -0.11 0.00 1.34 0.00 0.00 72.50 69.82 2dax s THR 144 CO -0.07 -0.83 1.68 0.77 -0.54 0.00 0.00 174.62 175.63 2dax h SER 145 N 8.06 -0.38 -5.36 3.99 4.64 -1.99 -3.47 113.55 119.04 2dax h SER 145 Ca -0.13 0.04 0.16 0.00 -0.47 0.00 0.00 61.79 61.40 2dax h SER 145 Cb 1.04 0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 63.22 2dax h SER 145 CO 0.81 -0.21 0.53 -0.94 -0.87 0.00 0.00 176.83 176.15 2dax s SER 146 N -4.95 -0.07 -0.88 4.97 1.04 -1.26 -5.07 113.70 107.48 2dax s SER 146 Ca -0.15 -0.58 -0.18 0.00 0.48 0.00 0.00 55.95 55.52 2dax s SER 146 Cb 0.07 0.51 -0.23 0.00 0.10 0.00 0.00 66.02 66.46 2dax s SER 146 CO 0.66 -0.98 2.30 -0.24 0.98 0.00 0.00 173.24 175.96 2dax n SER 147 N -0.90 0.26 0.00 7.02 2.88 -1.26 -4.75 113.62 116.86 2dax n SER 147 Ca -0.05 -0.98 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 2dax n SER 147 Cb 0.60 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 2dax n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dax n GLY 148 N 6.17 0.68 3.67 0.46 0.00 -1.26 -4.92 105.19 109.99 2dax n GLY 148 Ca 0.57 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.17 2dax n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dax s PRO 149 N 0.00 4.21 -0.06 1.61 0.04 -1.26 -4.97 135.00 134.57 2dax s PRO 149 Ca 0.00 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 2dax s PRO 149 Cb 0.00 -3.84 0.11 0.00 0.04 0.00 0.00 34.50 30.81 2dax s PRO 149 CO 0.00 -0.76 1.07 -1.54 0.04 0.00 0.00 177.00 175.81 2dax s SER 150 N 2.69 -0.22 0.29 6.66 1.04 -1.26 -5.18 113.70 117.71 2dax s SER 150 Ca 0.67 -0.06 0.07 0.00 0.48 0.00 0.00 55.95 57.10 2dax s SER 150 Cb -0.30 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 2dax s SER 150 CO 0.25 -0.46 0.30 -0.94 0.98 0.00 0.00 173.24 173.37 2dax s SER 151 N -2.47 5.68 0.00 7.02 1.04 -1.26 -5.28 113.70 118.43 2dax s SER 151 Ca 0.09 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2dax s SER 151 Cb -0.00 -1.33 0.00 0.00 0.10 0.00 0.00 66.02 64.78 2dax s SER 151 CO -0.05 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.57