#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dax s SER 2 N 0.00 -0.03 -0.50 1.61 1.04 -1.26 -5.09 113.70 109.47 2dax s SER 2 Ca 0.00 -0.95 -0.26 0.00 0.48 0.00 0.00 55.95 55.22 2dax s SER 2 Cb 0.00 0.62 -0.07 0.00 0.10 0.00 0.00 66.02 66.67 2dax s SER 2 CO 0.00 -1.20 2.41 -0.94 0.98 0.00 0.00 173.24 174.50 2dax s SER 3 N -3.03 4.40 0.31 7.02 1.04 -1.26 -4.46 113.70 117.73 2dax s SER 3 Ca 0.22 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.69 2dax s SER 3 Cb -0.01 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2dax s SER 3 CO 0.10 -2.93 0.00 0.61 0.98 0.00 0.00 173.24 172.00 2dax n GLY 4 N 6.04 -0.56 3.97 7.32 0.00 -1.26 -5.13 105.19 115.56 2dax n GLY 4 Ca 0.37 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.46 6.29 -0.70 1.61 0.01 -1.26 -5.05 113.70 110.13 2dax s SER 5 Ca 0.00 0.14 -0.20 0.00 1.31 0.00 0.00 55.95 57.20 2dax s SER 5 Cb 0.00 -1.86 0.10 0.00 0.21 0.00 0.00 66.02 64.48 2dax s SER 5 CO 0.00 -0.15 0.89 -0.44 0.41 0.00 0.00 173.24 173.95 2dax s SER 6 N -4.01 6.30 -0.27 2.44 0.01 -1.26 -4.83 113.70 112.08 2dax s SER 6 Ca 0.36 -1.47 -0.13 0.00 1.31 0.00 0.00 55.95 56.01 2dax s SER 6 Cb -0.09 -2.36 -0.12 0.00 0.21 0.00 0.00 66.02 63.66 2dax s SER 6 CO 0.31 -1.19 -0.35 0.61 0.41 0.00 0.00 173.24 173.03 2dax n GLY 7 N 5.28 -0.43 0.47 3.44 0.00 -1.26 -4.45 105.19 108.23 2dax n GLY 7 Ca 0.01 -0.13 0.31 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.96 0.19 -0.87 1.61 4.11 -2.01 -0.89 114.58 115.76 2dax h GLU 8 Ca -0.68 -0.01 0.15 0.00 0.07 0.00 0.00 59.36 58.88 2dax h GLU 8 Cb 1.60 -0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.65 2dax h GLU 8 CO -0.41 0.13 -0.33 0.37 0.07 0.00 0.00 179.01 178.83 2dax h GLN 9 N 0.20 -0.04 -0.39 1.06 4.15 -1.94 0.27 115.11 118.41 2dax h GLN 9 Ca 0.66 0.00 0.08 0.00 0.77 0.00 0.00 58.65 60.16 2dax h GLN 9 Cb 2.07 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 29.69 2dax h GLN 9 CO -0.24 -0.03 -0.12 0.00 -1.93 0.00 0.00 178.83 176.51 2dax h ALA 10 N 1.42 0.21 -0.84 3.38 0.00 -1.43 -1.29 119.26 120.72 2dax h ALA 10 Ca 0.34 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 2dax h ALA 10 Cb 0.60 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2dax h ALA 10 CO -0.89 -0.48 0.44 0.93 0.00 0.00 0.00 179.25 179.24 2dax h GLU 11 N -0.04 1.18 -0.92 0.00 5.08 -0.75 -1.89 114.58 117.24 2dax h GLU 11 Ca 0.19 -0.15 0.25 0.00 -1.00 0.00 0.00 59.36 58.66 2dax h GLU 11 Cb 0.33 -0.23 -0.14 0.00 0.50 0.00 0.00 28.75 29.21 2dax h GLU 11 CO -0.42 0.88 0.38 0.00 -1.00 0.00 0.00 179.01 178.85 2dax h ALA 12 N 1.24 1.52 0.01 3.43 0.00 0.57 0.48 119.26 126.51 2dax h ALA 12 Ca 0.29 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 2dax h ALA 12 Cb 0.06 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2dax h ALA 12 CO -0.04 -0.45 -0.12 1.96 0.00 0.00 0.00 179.25 180.59 2dax h GLN 13 N 0.30 0.03 0.30 0.00 4.20 -1.29 -3.33 115.11 115.32 2dax h GLN 13 Ca 0.61 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.27 2dax h GLN 13 Cb 1.26 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 2dax h GLN 13 CO -0.60 1.02 -0.40 1.25 -0.67 0.00 0.00 178.83 179.43 2dax h LEU 14 N -0.95 -1.13 -0.74 1.46 5.85 -0.51 -2.24 115.31 117.06 2dax h LEU 14 Ca -0.03 0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.92 2dax h LEU 14 Cb 1.07 0.39 -0.13 0.00 0.37 0.00 0.00 40.66 42.36 2dax h LEU 14 CO 0.00 -0.49 -0.26 0.00 -0.34 0.00 0.00 178.44 177.35 2dax n ALA 15 N -2.73 -0.01 0.35 1.25 0.00 0.16 -0.06 120.51 119.48 2dax n ALA 15 Ca -0.09 0.77 -0.18 0.00 0.00 0.00 0.00 53.44 53.94 2dax n ALA 15 Cb 0.35 -0.38 -0.09 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.00 -0.44 0.00 4.81 -1.58 -2.19 114.58 114.18 2dax h GLU 16 Ca 0.29 0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.65 2dax h GLU 16 Cb 0.48 0.23 -0.09 0.00 0.63 0.00 0.00 28.75 30.00 2dax h GLU 16 CO -0.75 -0.67 -0.51 -0.07 -0.73 0.00 0.00 179.01 176.28 2dax h LEU 17 N -1.04 -1.72 -0.97 1.64 3.38 0.12 0.30 115.31 117.01 2dax h LEU 17 Ca -0.08 0.24 0.26 0.00 0.09 0.00 0.00 57.88 58.40 2dax h LEU 17 Cb 0.87 0.72 -0.13 0.00 0.09 0.00 0.00 40.66 42.21 2dax h LEU 17 CO 0.03 -0.39 0.51 -0.78 0.09 0.00 0.00 178.44 177.90 2dax h ASP 18 N -0.36 0.48 -0.02 -0.43 3.58 -1.00 0.02 116.42 118.69 2dax h ASP 18 Ca 0.10 0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 2dax h ASP 18 Cb 0.59 0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.75 2dax h ASP 18 CO -0.61 -0.02 -0.02 0.25 -2.88 0.00 0.00 179.24 175.96 2dax h LEU 19 N 0.42 0.05 -0.04 2.28 5.85 -0.04 -3.30 115.31 120.53 2dax h LEU 19 Ca 0.65 -0.48 0.02 0.00 0.84 0.00 0.00 57.88 58.91 2dax h LEU 19 Cb 1.32 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.28 2dax h LEU 19 CO -0.55 0.52 -0.54 -0.07 -0.34 0.00 0.00 178.44 177.46 2dax h LEU 20 N -0.42 -1.69 -0.77 2.25 3.38 0.13 0.14 115.31 118.33 2dax h LEU 20 Ca 0.00 0.19 0.20 0.00 0.09 0.00 0.00 57.88 58.37 2dax h LEU 20 Cb 0.51 0.65 -0.14 0.00 0.09 0.00 0.00 40.66 41.76 2dax h LEU 20 CO 0.00 -0.51 -0.02 0.00 0.09 0.00 0.00 178.44 178.00 2dax n ALA 21 N -2.98 0.35 -0.01 1.53 0.00 -0.53 0.89 120.51 119.76 2dax n ALA 21 Ca -0.07 0.83 -0.16 0.00 0.00 0.00 0.00 53.44 54.04 2dax n ALA 21 Cb 0.39 -0.59 -0.10 0.00 0.00 0.00 0.00 19.45 19.15 2dax n ALA 21 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2dax h SER 22 N 0.00 0.44 -1.05 0.00 0.02 -1.33 -3.25 113.55 108.38 2dax h SER 22 Ca 0.45 -0.72 0.31 0.00 -0.84 0.00 0.00 61.79 60.98 2dax h SER 22 Cb 0.89 -0.13 -0.13 0.00 0.14 0.00 0.00 62.40 63.16 2dax h SER 22 CO -0.74 1.10 0.63 0.24 -1.14 0.00 0.00 176.83 176.92 2dax h MET 23 N -0.18 0.35 -3.30 3.45 2.07 0.32 -2.82 114.93 114.83 2dax h MET 23 Ca -0.05 -0.02 -0.72 0.00 -2.07 0.00 0.00 59.70 56.84 2dax h MET 23 Cb 1.14 -0.08 -0.34 0.00 -1.87 0.00 0.00 31.60 30.46 2dax h MET 23 CO 0.09 0.23 0.04 1.19 1.07 0.00 0.00 176.91 179.54 2dax n PHE 24 N -4.89 4.32 0.26 -0.22 3.01 -0.37 -4.86 117.46 114.72 2dax n PHE 24 Ca 0.30 -4.02 0.15 0.00 1.01 0.00 0.00 57.45 54.89 2dax n PHE 24 Cb 0.97 -1.23 0.64 0.00 -0.01 0.00 0.00 39.48 39.84 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 6.01 0.00 -6.28 -1.08 0.13 -1.67 -3.44 132.00 125.68 2dax h PRO 25 Ca 0.17 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.78 2dax h PRO 25 Cb 0.80 0.00 0.24 0.00 0.13 0.00 0.00 31.00 32.17 2dax h PRO 25 CO 0.91 0.08 -1.67 0.41 -0.23 0.00 0.00 178.00 177.50 2dax n GLY 26 N -0.04 -3.34 0.15 1.56 0.00 -1.26 -4.91 105.19 97.35 2dax n GLY 26 Ca 0.00 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 2dax n GLY 26 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2dax h GLU 27 N -1.29 0.53 -1.48 1.61 4.81 -1.97 -3.37 114.58 113.41 2dax h GLU 27 Ca -0.44 -0.90 -0.55 0.00 -0.13 0.00 0.00 59.36 57.34 2dax h GLU 27 Cb 1.33 0.33 -0.42 0.00 0.63 0.00 0.00 28.75 30.63 2dax h GLU 27 CO 0.27 1.43 -0.80 0.27 -0.73 0.00 0.00 179.01 179.45 2dax n ASN 28 N -3.71 4.17 -0.11 1.04 0.23 -1.26 -4.75 115.26 110.87 2dax n ASN 28 Ca -0.18 -3.56 -0.14 0.00 -0.53 0.00 0.00 54.58 50.17 2dax n ASN 28 Cb 1.10 -0.48 -0.11 0.00 -2.08 0.00 0.00 39.78 38.21 2dax n ASN 28 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2dax n GLU 29 N -0.40 0.69 -3.85 -3.83 -0.58 -1.26 -4.67 120.64 106.74 2dax n GLU 29 Ca 0.34 0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 57.06 2dax n GLU 29 Cb 0.67 -1.46 -0.11 0.00 -0.57 0.00 0.00 31.44 29.98 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 -6.10 1.49 -0.07 -4.62 0.20 -1.26 0.12 118.68 108.44 2dax s LEU 30 Ca -0.26 -0.02 -0.03 0.00 0.69 0.00 0.00 54.13 54.52 2dax s LEU 30 Cb 0.07 0.63 0.04 0.00 -0.43 0.00 0.00 46.19 46.51 2dax s LEU 30 CO 0.57 -0.26 0.13 -0.63 -0.29 0.00 0.00 176.35 175.88 2dax s ILE 31 N -0.86 -0.16 -0.68 6.68 1.09 -0.40 -4.96 121.20 121.91 2dax s ILE 31 Ca -0.09 0.29 -0.16 0.00 -1.10 0.00 0.00 60.65 59.59 2dax s ILE 31 Cb -0.05 -0.24 0.16 0.00 -1.06 0.00 0.00 42.46 41.27 2dax s ILE 31 CO 0.01 0.12 0.67 -0.69 -0.10 0.00 0.00 174.94 174.96 2dax s VAL 32 N 1.80 5.29 0.02 2.92 1.01 -1.26 -1.79 120.40 128.39 2dax s VAL 32 Ca -0.02 -1.82 -0.25 0.00 0.00 0.00 0.00 61.98 59.89 2dax s VAL 32 Cb -0.12 -4.44 -0.18 0.00 0.00 0.00 0.00 36.38 31.64 2dax s VAL 32 CO -0.05 -1.01 1.43 0.78 0.00 0.00 0.00 175.10 176.25 2dax h ASN 33 N 8.49 -0.08 -2.16 3.32 2.35 -1.93 -3.36 115.58 122.20 2dax h ASN 33 Ca -0.11 -0.26 -0.69 0.00 -0.55 0.00 0.00 56.30 54.70 2dax h ASN 33 Cb 1.07 0.02 -0.16 0.00 0.05 0.00 0.00 38.32 39.30 2dax h ASN 33 CO 0.94 0.21 1.05 -0.62 -1.65 0.00 0.00 177.43 177.36 2dax s ASP 34 N -5.38 6.70 0.03 5.81 -1.08 -0.99 -4.81 116.67 116.94 2dax s ASP 34 Ca -0.15 -2.16 -0.17 0.00 -0.52 0.00 0.00 52.55 49.56 2dax s ASP 34 Cb 0.03 -2.42 -0.29 0.00 -1.46 0.00 0.00 42.92 38.77 2dax s ASP 34 CO 0.65 -1.06 1.06 -0.61 0.52 0.00 0.00 175.17 175.72 2dax h GLN 35 N 8.61 0.54 -0.69 4.34 5.75 -1.87 -3.35 115.11 128.43 2dax h GLN 35 Ca 0.20 -0.74 0.09 0.00 -0.15 0.00 0.00 58.65 58.05 2dax h GLN 35 Cb 0.99 0.25 -0.11 0.00 1.07 0.00 0.00 27.48 29.68 2dax h GLN 35 CO 1.18 1.33 -0.49 1.25 -2.65 0.00 0.00 178.83 179.45 2dax h LEU 36 N 0.10 -1.70 -0.90 -2.39 5.85 -1.96 0.78 115.31 115.09 2dax h LEU 36 Ca -0.17 0.27 0.17 0.00 0.84 0.00 0.00 57.88 58.99 2dax h LEU 36 Cb 1.81 0.77 -0.17 0.00 0.37 0.00 0.00 40.66 43.44 2dax h LEU 36 CO 0.21 -0.32 -0.25 0.00 -0.34 0.00 0.00 178.44 177.74 2dax n ALA 37 N -3.20 0.15 0.31 1.25 0.00 -1.26 -1.08 120.51 116.68 2dax n ALA 37 Ca 0.02 0.98 -0.14 0.00 0.00 0.00 0.00 53.44 54.30 2dax n ALA 37 Cb 0.33 -0.56 -0.07 0.00 0.00 0.00 0.00 19.45 19.16 2dax n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dax h VAL 38 N 0.00 0.13 -0.90 0.00 2.07 -1.08 -2.51 116.25 113.96 2dax h VAL 38 Ca 0.41 -0.38 0.15 0.00 0.82 0.00 0.00 66.70 67.69 2dax h VAL 38 Cb 0.64 0.19 -0.15 0.00 -1.52 0.00 0.00 31.29 30.44 2dax h VAL 38 CO -0.93 0.02 -0.33 0.00 0.02 0.00 0.00 177.57 176.36 2dax n ALA 39 N -2.67 -0.05 -0.22 1.67 0.00 -0.24 0.95 120.51 119.95 2dax n ALA 39 Ca -0.11 0.91 -0.06 0.00 0.00 0.00 0.00 53.44 54.18 2dax n ALA 39 Cb 0.34 -0.43 0.04 0.00 0.00 0.00 0.00 19.45 19.40 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 0.84 -0.60 0.00 4.39 -1.14 -2.64 114.58 115.44 2dax h GLU 40 Ca 0.33 -0.06 0.12 0.00 0.34 0.00 0.00 59.36 60.09 2dax h GLU 40 Cb 0.56 -0.18 -0.11 0.00 -0.10 0.00 0.00 28.75 28.91 2dax h GLU 40 CO -0.90 0.58 -0.14 1.25 -1.16 0.00 0.00 179.01 178.65 2dax h LEU 41 N 0.85 -0.53 -0.47 1.33 5.85 0.11 0.52 115.31 122.97 2dax h LEU 41 Ca 0.23 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 59.12 2dax h LEU 41 Cb -0.06 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2dax h LEU 41 CO -0.05 -0.19 0.26 0.11 -0.34 0.00 0.00 178.44 178.23 2dax h LYS 42 N 0.01 0.65 -0.75 1.25 6.56 -1.10 -2.34 116.57 120.85 2dax h LYS 42 Ca 0.29 -0.07 0.07 0.00 -1.06 0.00 0.00 60.65 59.87 2dax h LYS 42 Cb 0.44 -0.13 -0.06 0.00 -0.57 0.00 0.00 32.23 31.91 2dax h LYS 42 CO -0.61 0.51 0.43 0.22 -2.06 0.00 0.00 179.45 177.94 2dax h ASP 43 N 0.61 0.64 0.25 0.86 3.58 -0.72 0.16 116.42 121.80 2dax h ASP 43 Ca 0.16 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 2dax h ASP 43 Cb 0.04 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2dax h ASP 43 CO -0.03 0.40 -0.12 0.00 -2.88 0.00 0.00 179.24 176.61 2dax h ILE 45 N -0.35 0.60 -0.44 0.00 2.04 -1.05 -2.03 117.51 116.28 2dax h ILE 45 Ca -0.03 -0.09 0.09 0.00 1.00 0.00 0.00 64.86 65.82 2dax h ILE 45 Cb 0.27 0.64 -0.08 0.00 -0.74 0.00 0.00 36.82 36.91 2dax h ILE 45 CO 0.06 0.02 -0.10 -0.33 0.00 0.00 0.00 178.15 177.79 2dax h GLU 46 N -0.60 0.01 0.00 2.37 4.39 -0.68 0.60 114.58 120.66 2dax h GLU 46 Ca -0.06 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2dax h GLU 46 Cb 0.45 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2dax h GLU 46 CO 0.09 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.58 2dax n LYS 47 N -5.32 0.27 -4.03 2.33 5.02 -0.05 -4.83 118.16 111.54 2dax n LYS 47 Ca 0.03 0.09 -0.32 0.00 -2.02 0.00 0.00 58.31 56.09 2dax n LYS 47 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 -1.15 -4.52 -3.59 1.97 5.02 0.21 -4.95 118.16 111.16 2dax n LYS 48 Ca 0.07 0.50 -0.15 0.00 -2.02 0.00 0.00 58.31 56.72 2dax n LYS 48 Cb 0.07 -5.29 -0.13 0.00 -0.02 0.00 0.00 35.03 29.66 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 -3.33 -0.38 -1.07 -0.18 -1.32 -0.82 -5.05 115.64 103.48 2dax s THR 49 Ca 0.65 0.14 -0.21 0.00 -1.21 0.00 0.00 61.69 61.06 2dax s THR 49 Cb -0.34 -0.53 0.08 0.00 -1.51 0.00 0.00 72.50 70.20 2dax s THR 49 CO 0.87 0.00 1.45 -0.04 -2.21 0.00 0.00 174.62 174.69 2dax s MET 50 N 2.38 3.71 0.03 7.08 -1.94 -1.26 -4.65 119.30 124.65 2dax s MET 50 Ca 0.04 -1.51 -0.01 0.00 -1.71 0.00 0.00 55.69 52.50 2dax s MET 50 Cb -0.13 -5.30 -0.27 0.00 2.01 0.00 0.00 34.83 31.14 2dax s MET 50 CO -0.10 -2.11 0.95 0.93 -0.01 0.00 0.00 175.02 174.68 2dax h GLU 51 N 9.00 0.21 0.00 2.03 5.08 -1.98 -3.50 114.58 125.42 2dax h GLU 51 Ca 0.25 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2dax h GLU 51 Cb 0.97 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2dax h GLU 51 CO 1.37 1.08 0.00 0.41 -1.00 0.00 0.00 179.01 180.87 2dax n GLY 52 N 1.59 3.79 3.54 -3.84 0.00 -1.26 -5.10 105.19 103.92 2dax n GLY 52 Ca -0.13 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 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 0.76 0.06 1.61 5.12 -1.26 -4.93 116.66 118.01 2dax n ARG 53 Ca 0.00 0.29 -0.23 0.00 -1.93 0.00 0.00 57.85 55.99 2dax n ARG 53 Cb 0.00 -1.92 -0.15 0.00 -1.16 0.00 0.00 32.46 29.23 2dax n ARG 53 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2dax h SER 54 N 0.51 0.57 -5.01 0.55 4.64 -1.95 -3.49 113.55 109.37 2dax h SER 54 Ca -0.46 -0.94 -0.05 0.00 -0.47 0.00 0.00 61.79 59.87 2dax h SER 54 Cb 1.38 -0.19 -0.16 0.00 -0.31 0.00 0.00 62.40 63.13 2dax h SER 54 CO 0.50 1.79 0.13 -0.44 -0.87 0.00 0.00 176.83 177.94 2dax s SER 55 N -7.24 -0.54 0.30 4.97 0.01 -1.26 -5.07 113.70 104.88 2dax s SER 55 Ca -0.17 0.27 -0.29 0.00 1.31 0.00 0.00 55.95 57.06 2dax s SER 55 Cb 0.05 0.54 -0.10 0.00 0.21 0.00 0.00 66.02 66.72 2dax s SER 55 CO 0.83 -0.77 1.39 -0.54 0.41 0.00 0.00 173.24 174.57 2dax s LYS 56 N -2.51 4.28 -0.60 12.44 1.02 -1.26 -4.54 119.74 128.58 2dax s LYS 56 Ca -0.05 2.31 -0.27 0.00 0.02 0.00 0.00 55.97 57.98 2dax s LYS 56 Cb -0.01 -3.07 -0.00 0.00 -0.52 0.00 0.00 37.83 34.23 2dax s LYS 56 CO -0.02 -0.34 1.63 0.08 -0.92 0.00 0.00 175.35 175.78 2dax s VAL 57 N -0.64 3.55 -0.34 3.17 1.01 -1.25 -4.81 120.40 121.09 2dax s VAL 57 Ca 0.54 0.39 -0.14 0.00 0.00 0.00 0.00 61.98 62.77 2dax s VAL 57 Cb -0.42 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.72 2dax s VAL 57 CO 0.50 -1.11 0.32 -0.47 0.00 0.00 0.00 175.10 174.33 2dax s TYR 58 N 7.48 3.22 -0.08 5.22 5.04 -1.26 -3.03 117.35 133.94 2dax s TYR 58 Ca 0.58 -0.11 -0.03 0.00 -2.44 0.00 0.00 57.07 55.07 2dax s TYR 58 Cb -0.12 -2.60 0.05 0.00 0.35 0.00 0.00 41.96 39.64 2dax s TYR 58 CO 0.22 -0.41 0.15 -0.59 -1.34 0.00 0.00 175.55 173.58 2dax s PHE 59 N 1.90 -0.16 0.02 4.97 -0.71 -0.98 -2.35 117.98 120.68 2dax s PHE 59 Ca 0.09 0.58 -0.17 0.00 -1.04 0.00 0.00 56.93 56.39 2dax s PHE 59 Cb -0.17 -0.28 -0.06 0.00 -1.21 0.00 0.00 43.02 41.30 2dax s PHE 59 CO 0.11 -0.26 0.49 0.99 -1.34 0.00 0.00 175.22 175.21 2dax s THR 60 N 2.27 4.92 -0.18 -4.49 2.01 -0.74 -2.09 115.64 117.33 2dax s THR 60 Ca 0.03 1.03 -0.02 0.00 0.31 0.00 0.00 61.69 63.04 2dax s THR 60 Cb -0.12 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 2dax s THR 60 CO -0.05 0.53 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.69 2dax s ILE 61 N -0.87 3.13 -0.27 1.82 1.01 -0.75 -1.28 121.20 124.00 2dax s ILE 61 Ca 0.26 -0.59 -0.13 0.00 0.00 0.00 0.00 60.65 60.19 2dax s ILE 61 Cb -0.18 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 2dax s ILE 61 CO 0.16 0.47 0.29 0.20 0.00 0.00 0.00 174.94 176.05 2dax s ASN 62 N 1.06 6.15 -0.24 3.58 0.01 0.31 -0.10 114.94 125.72 2dax s ASN 62 Ca 0.00 0.15 0.01 0.00 -0.71 0.00 0.00 52.86 52.32 2dax s ASN 62 Cb -0.15 -2.17 0.06 0.00 0.41 0.00 0.00 41.25 39.40 2dax s ASN 62 CO -0.02 -0.12 -0.07 -0.04 -1.51 0.00 0.00 177.10 175.35 2dax s MET 63 N 1.90 1.79 -0.05 -0.60 -1.94 -0.61 -4.40 119.30 115.39 2dax s MET 63 Ca 0.11 -1.05 -0.29 0.00 -1.71 0.00 0.00 55.69 52.74 2dax s MET 63 Cb -0.16 -2.64 -0.02 0.00 2.01 0.00 0.00 34.83 34.02 2dax s MET 63 CO 0.10 -0.58 0.98 -0.80 -0.01 0.00 0.00 175.02 174.71 2dax s ASN 64 N 1.33 7.30 0.01 3.03 -0.87 -1.26 -1.98 114.94 122.49 2dax s ASN 64 Ca -0.06 1.58 -0.04 0.00 -1.57 0.00 0.00 52.86 52.77 2dax s ASN 64 Cb -0.19 -2.56 -0.01 0.00 -0.02 0.00 0.00 41.25 38.48 2dax s ASN 64 CO -0.06 -0.33 0.07 -0.76 -2.57 0.00 0.00 177.10 173.45 2dax s LEU 65 N 1.41 1.83 -0.00 0.60 1.43 -0.99 -4.97 118.68 117.99 2dax s LEU 65 Ca 0.50 -0.29 -0.27 0.00 -1.03 0.00 0.00 54.13 53.04 2dax s LEU 65 Cb -0.20 0.42 -0.04 0.00 0.03 0.00 0.00 46.19 46.41 2dax s LEU 65 CO 0.23 -0.32 0.84 -1.81 0.23 0.00 0.00 176.35 175.53 2dax s ASP 66 N -1.30 7.22 -0.15 2.29 1.11 -1.26 -1.11 116.67 123.47 2dax s ASP 66 Ca -0.14 1.47 -0.02 0.00 0.18 0.00 0.00 52.55 54.04 2dax s ASP 66 Cb -0.08 -2.50 -0.08 0.00 1.07 0.00 0.00 42.92 41.33 2dax s ASP 66 CO 0.00 -0.14 -0.15 1.33 1.18 0.00 0.00 175.17 177.39 2dax n VAL 67 N 3.56 0.82 -3.76 -1.27 0.24 -1.10 -4.86 118.33 111.96 2dax n VAL 67 Ca 0.02 -0.28 0.01 0.00 -2.04 0.00 0.00 64.34 62.05 2dax n VAL 67 Cb 0.51 -1.25 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 2dax n VAL 67 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2dax s SER 68 N -5.73 -0.04 -1.38 -1.34 1.04 -1.26 -4.96 113.70 100.04 2dax s SER 68 Ca -0.20 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 2dax s SER 68 Cb 0.06 0.19 -0.00 0.00 0.10 0.00 0.00 66.02 66.37 2dax s SER 68 CO 0.31 -0.37 0.47 -0.67 0.98 0.00 0.00 173.24 173.96 2dax n ASP 69 N -0.73 -0.58 -2.10 7.02 2.03 -1.26 -0.34 116.55 120.58 2dax n ASP 69 Ca -0.04 -0.98 0.00 0.00 0.52 0.00 0.00 54.79 54.29 2dax n ASP 69 Cb 0.61 -3.20 0.00 0.00 -0.72 0.00 0.00 41.12 37.81 2dax n ASP 69 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2dax n GLU 70 N -4.38 -2.52 -4.10 -0.67 0.28 -1.26 -4.84 120.64 103.16 2dax n GLU 70 Ca -0.30 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.42 2dax n GLU 70 Cb 0.68 -4.09 -0.03 0.00 1.43 0.00 0.00 31.44 29.43 2dax n GLU 70 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2dax n LYS 71 N -2.07 0.78 -3.64 3.44 4.76 0.53 -5.07 118.16 116.89 2dax n LYS 71 Ca 0.00 -3.37 -0.10 0.00 -2.87 0.00 0.00 58.31 51.96 2dax n LYS 71 Cb 0.38 0.63 -0.04 0.00 -1.84 0.00 0.00 35.03 34.16 2dax n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dax s MET 72 N -3.94 1.10 0.16 1.97 0.23 -1.26 -2.69 119.30 114.86 2dax s MET 72 Ca 0.15 -0.72 0.06 0.00 -1.03 0.00 0.00 55.69 54.15 2dax s MET 72 Cb -0.01 0.48 -0.04 0.00 -1.53 0.00 0.00 34.83 33.72 2dax s MET 72 CO 0.10 -0.44 -0.12 0.00 -2.03 0.00 0.00 175.02 172.53 2dax s ALA 73 N -3.81 1.61 -0.17 3.16 0.00 -0.27 -4.92 121.76 117.37 2dax s ALA 73 Ca 0.04 -1.49 -0.20 0.00 0.00 0.00 0.00 51.96 50.31 2dax s ALA 73 Cb 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 2dax s ALA 73 CO -0.11 -0.01 0.56 1.41 0.00 0.00 0.00 175.76 177.61 2dax s MET 74 N -3.49 4.26 -0.39 0.00 1.75 -1.26 -2.35 119.30 117.82 2dax s MET 74 Ca 0.16 0.54 -0.08 0.00 -1.25 0.00 0.00 55.69 55.07 2dax s MET 74 Cb 0.00 -3.53 0.07 0.00 2.84 0.00 0.00 34.83 34.22 2dax s MET 74 CO 0.03 -0.08 0.21 -0.06 -0.65 0.00 0.00 175.02 174.46 2dax s PHE 75 N 1.40 3.34 -0.17 4.11 0.40 -0.84 -4.70 117.98 121.53 2dax s PHE 75 Ca 0.27 -1.60 -0.24 0.00 -0.60 0.00 0.00 56.93 54.77 2dax s PHE 75 Cb -0.16 -2.78 -0.02 0.00 0.51 0.00 0.00 43.02 40.57 2dax s PHE 75 CO 0.11 -0.83 0.75 -1.12 0.70 0.00 0.00 175.22 174.84 2dax s SER 76 N 1.87 6.88 -0.54 1.36 0.01 -1.08 -1.57 113.70 120.61 2dax s SER 76 Ca 0.02 1.07 -0.03 0.00 1.31 0.00 0.00 55.95 58.32 2dax s SER 76 Cb -0.22 -2.42 0.14 0.00 0.21 0.00 0.00 66.02 63.74 2dax s SER 76 CO 0.02 -0.33 0.36 -0.76 0.41 0.00 0.00 173.24 172.93 2dax s LEU 77 N 1.92 5.27 -0.76 2.44 1.02 0.86 -1.31 118.68 128.11 2dax s LEU 77 Ca 0.35 -2.53 -0.26 0.00 0.02 0.00 0.00 54.13 51.71 2dax s LEU 77 Cb -0.16 -1.85 -0.02 0.00 0.02 0.00 0.00 46.19 44.18 2dax s LEU 77 CO 0.12 -0.44 1.77 0.00 0.02 0.00 0.00 176.35 177.82 2dax s ALA 78 N 0.41 2.13 -0.26 4.21 0.00 -0.57 -1.81 121.76 125.88 2dax s ALA 78 Ca 0.13 -1.18 -0.13 0.00 0.00 0.00 0.00 51.96 50.78 2dax s ALA 78 Cb -0.21 -4.40 -0.04 0.00 0.00 0.00 0.00 23.12 18.46 2dax s ALA 78 CO -0.04 -4.09 0.26 0.00 0.00 0.00 0.00 175.76 171.90 2dax s ILE 80 N 1.65 1.42 -0.46 0.00 1.01 -1.19 -2.31 121.20 121.33 2dax s ILE 80 Ca 0.11 -0.58 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 2dax s ILE 80 Cb -0.15 -1.38 0.03 0.00 0.01 0.00 0.00 42.46 40.96 2dax s ILE 80 CO 0.09 0.39 0.86 -0.76 0.00 0.00 0.00 174.94 175.52 2dax s LEU 81 N 1.54 4.12 1.24 2.97 1.43 -1.17 -1.85 118.68 126.97 2dax s LEU 81 Ca 0.04 0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 52.95 2dax s LEU 81 Cb -0.13 -3.09 0.30 0.00 0.03 0.00 0.00 46.19 43.30 2dax s LEU 81 CO -0.10 -0.99 1.11 -2.16 0.23 0.00 0.00 176.35 174.44 2dax s PRO 82 N 3.54 -1.53 -0.03 1.29 0.04 -1.26 -3.80 135.00 133.25 2dax s PRO 82 Ca 0.34 -0.17 0.02 0.00 0.04 0.00 0.00 61.00 61.22 2dax s PRO 82 Cb -0.11 -1.57 0.11 0.00 0.04 0.00 0.00 34.50 32.97 2dax s PRO 82 CO 0.25 -3.90 0.71 1.19 0.04 0.00 0.00 177.00 175.29 2dax n PHE 83 N -4.87 0.29 -0.03 0.56 3.01 -1.26 -3.71 117.46 111.45 2dax n PHE 83 Ca 0.15 -0.15 -0.07 0.00 1.01 0.00 0.00 57.45 58.39 2dax n PHE 83 Cb 0.60 -0.17 -0.02 0.00 -0.01 0.00 0.00 39.48 39.87 2dax n PHE 83 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2dax n LYS 84 N 0.10 0.14 -0.51 -1.08 4.76 -1.26 -5.05 118.16 115.26 2dax n LYS 84 Ca 0.04 0.06 -0.17 0.00 -2.87 0.00 0.00 58.31 55.37 2dax n LYS 84 Cb 0.40 -0.73 -0.01 0.00 -1.84 0.00 0.00 35.03 32.85 2dax n LYS 84 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 2dax n TYR 85 N -3.30 -0.26 0.53 2.13 9.36 -1.24 -1.38 117.16 122.99 2dax n TYR 85 Ca -0.13 0.34 0.07 0.00 3.32 0.00 0.00 57.90 61.50 2dax n TYR 85 Cb 0.58 -0.71 0.32 0.00 -0.63 0.00 0.00 39.34 38.90 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 0.38 0.04 0.00 2.98 -0.04 -1.26 -4.87 135.00 132.23 2dax n PRO 86 Ca 0.06 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 2dax n PRO 86 Cb 0.10 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.46 0.00 -2.72 0.55 0.00 -0.48 -4.19 120.51 112.21 2dax n ALA 87 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 2dax n ALA 87 Cb 0.16 0.22 -0.08 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.66 5.39 0.87 0.00 -7.23 -1.26 -4.65 120.40 111.87 2dax s VAL 88 Ca 0.00 0.24 -0.15 0.00 -1.81 0.00 0.00 61.98 60.26 2dax s VAL 88 Cb 0.00 -3.49 -0.04 0.00 0.56 0.00 0.00 36.38 33.40 2dax s VAL 88 CO 0.00 0.42 0.11 0.18 -0.31 0.00 0.00 175.10 175.50 2dax n LEU 89 N 3.60 -1.58 -4.77 1.32 4.77 -1.26 -3.72 117.00 115.37 2dax n LEU 89 Ca -0.15 0.39 -0.32 0.00 -0.03 0.00 0.00 56.01 55.89 2dax n LEU 89 Cb 0.52 -1.08 0.06 0.00 -2.33 0.00 0.00 43.42 40.59 2dax n LEU 89 CO 0.37 -4.16 0.73 -2.16 -1.33 0.00 0.00 177.39 170.84 2dax s PRO 90 N -2.83 2.64 -1.21 3.23 0.04 -1.26 -4.84 135.00 130.77 2dax s PRO 90 Ca 0.55 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.79 2dax s PRO 90 Cb -0.26 -1.93 0.18 0.00 0.04 0.00 0.00 34.50 32.53 2dax s PRO 90 CO 0.69 -1.37 1.50 0.39 0.04 0.00 0.00 177.00 178.25 2dax n GLU 91 N -2.74 3.47 -2.74 4.56 -0.58 -0.77 -4.88 120.64 116.96 2dax n GLU 91 Ca 0.10 -3.86 -0.43 0.00 -0.42 0.00 0.00 57.16 52.55 2dax n GLU 91 Cb 0.52 -2.96 -0.03 0.00 -0.57 0.00 0.00 31.44 28.40 2dax n GLU 91 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2dax s ILE 92 N 0.96 4.27 -0.41 -3.67 1.01 -1.23 -3.20 121.20 118.93 2dax s ILE 92 Ca 0.41 0.61 -0.13 0.00 0.00 0.00 0.00 60.65 61.54 2dax s ILE 92 Cb -0.01 -4.59 0.04 0.00 0.01 0.00 0.00 42.46 37.91 2dax s ILE 92 CO -0.00 -1.14 0.27 -0.89 0.00 0.00 0.00 174.94 173.18 2dax s THR 93 N 4.28 4.83 0.05 2.92 2.01 -0.04 -4.86 115.64 124.83 2dax s THR 93 Ca 0.37 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 61.18 2dax s THR 93 Cb -0.10 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 2dax s THR 93 CO 0.23 -0.34 0.91 -0.69 -0.69 0.00 0.00 174.62 174.04 2dax s VAL 94 N 1.59 4.71 0.06 3.82 1.01 -1.26 -1.51 120.40 128.83 2dax s VAL 94 Ca 0.03 1.94 0.05 0.00 0.00 0.00 0.00 61.98 64.00 2dax s VAL 94 Cb -0.20 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 2dax s VAL 94 CO 0.07 0.27 -0.13 -0.13 0.00 0.00 0.00 175.10 175.18 2dax s ARG 95 N 0.40 0.77 -0.29 2.72 1.81 -0.43 -4.95 118.95 118.98 2dax s ARG 95 Ca 0.46 -0.90 -0.20 0.00 -1.72 0.00 0.00 55.73 53.37 2dax s ARG 95 Cb -0.22 -0.73 0.16 0.00 -0.45 0.00 0.00 34.95 33.71 2dax s ARG 95 CO 0.27 0.16 1.14 0.45 -0.68 0.00 0.00 175.30 176.65 2dax s SER 96 N -1.65 -0.31 0.37 0.23 0.15 -1.26 -2.64 113.70 108.59 2dax s SER 96 Ca -0.03 0.54 0.08 0.00 0.70 0.00 0.00 55.95 57.24 2dax s SER 96 Cb -0.10 0.85 0.73 0.00 -1.71 0.00 0.00 66.02 65.79 2dax s SER 96 CO 0.02 -0.09 1.90 1.62 1.20 0.00 0.00 173.24 177.89 2dax h VAL 97 N 4.20 1.18 -0.44 4.45 3.04 -2.01 -2.77 116.25 123.90 2dax h VAL 97 Ca -0.28 -0.78 -0.06 0.00 -1.01 0.00 0.00 66.70 64.57 2dax h VAL 97 Cb 1.18 1.14 -0.02 0.00 -2.01 0.00 0.00 31.29 31.58 2dax h VAL 97 CO 0.18 0.25 0.03 -0.07 -1.01 0.00 0.00 177.57 176.94 2dax h LEU 98 N 0.30 0.73 -9.79 3.16 3.38 -1.96 -3.43 115.31 107.71 2dax h LEU 98 Ca 0.06 -0.29 -0.52 0.00 0.09 0.00 0.00 57.88 57.23 2dax h LEU 98 Cb 0.36 -0.20 0.04 0.00 0.09 0.00 0.00 40.66 40.95 2dax h LEU 98 CO 0.02 0.84 0.59 -0.76 0.09 0.00 0.00 178.44 179.22 2dax s LEU 99 N -9.46 4.46 0.42 1.67 1.43 -1.05 -4.82 118.68 111.33 2dax s LEU 99 Ca -0.13 2.46 -0.15 0.00 -1.03 0.00 0.00 54.13 55.29 2dax s LEU 99 Cb 0.11 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.62 2dax s LEU 99 CO 0.80 -0.40 0.84 -0.55 0.23 0.00 0.00 176.35 177.27 2dax s SER 100 N -0.36 6.67 0.45 2.29 0.15 -1.26 -4.77 113.70 116.86 2dax s SER 100 Ca 0.50 1.36 0.27 0.00 0.70 0.00 0.00 55.95 58.78 2dax s SER 100 Cb -0.36 -2.41 1.33 0.00 -1.71 0.00 0.00 66.02 62.87 2dax s SER 100 CO 0.45 -0.39 1.71 0.08 1.20 0.00 0.00 173.24 176.29 2dax h ARG 101 N 1.51 0.19 0.04 5.44 0.11 -1.95 0.26 114.38 119.98 2dax h ARG 101 Ca -0.47 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 59.59 2dax h ARG 101 Cb 1.18 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.22 2dax h ARG 101 CO 0.63 0.12 -0.02 0.77 0.10 0.00 0.00 179.97 181.58 2dax h SER 102 N 0.19 -0.05 0.06 0.08 0.02 -2.01 -3.28 113.55 108.57 2dax h SER 102 Ca 0.69 -0.50 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 2dax h SER 102 Cb 2.14 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 64.64 2dax h SER 102 CO -0.27 0.67 -0.33 1.56 -1.14 0.00 0.00 176.83 177.32 2dax h GLN 103 N -0.97 -0.50 -0.98 3.45 1.08 -1.54 -2.51 115.11 113.15 2dax h GLN 103 Ca -0.01 0.03 0.16 0.00 -1.45 0.00 0.00 58.65 57.39 2dax h GLN 103 Cb 0.54 0.11 -0.16 0.00 -0.05 0.00 0.00 27.48 27.93 2dax h GLN 103 CO 0.01 -0.34 -0.37 0.37 -0.95 0.00 0.00 178.83 177.55 2dax h GLN 104 N -0.52 -0.01 -0.36 1.46 5.75 -0.71 -0.20 115.11 120.52 2dax h GLN 104 Ca 0.04 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.59 2dax h GLN 104 Cb 0.58 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.06 2dax h GLN 104 CO -0.23 -0.01 -0.49 1.15 -2.65 0.00 0.00 178.83 176.61 2dax h THR 105 N -0.01 0.00 -0.26 2.39 2.02 -1.51 -1.48 112.91 114.07 2dax h THR 105 Ca 0.36 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.60 2dax h THR 105 Cb 0.61 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.94 2dax h THR 105 CO -0.98 0.00 -0.34 -0.61 0.37 0.00 0.00 175.52 173.97 2dax h GLN 106 N -0.34 -0.33 -0.70 6.66 5.75 -1.00 -1.85 115.11 123.30 2dax h GLN 106 Ca 0.06 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.65 2dax h GLN 106 Cb 0.52 0.07 -0.10 0.00 1.07 0.00 0.00 27.48 29.04 2dax h GLN 106 CO -0.52 -0.22 -0.56 1.25 -2.65 0.00 0.00 178.83 176.13 2dax h LEU 107 N -0.34 -1.99 -0.40 -2.39 6.46 -0.49 -0.17 115.31 116.00 2dax h LEU 107 Ca 0.13 0.28 0.08 0.00 -0.12 0.00 0.00 57.88 58.26 2dax h LEU 107 Cb 0.55 0.85 -0.09 0.00 -0.73 0.00 0.00 40.66 41.24 2dax h LEU 107 CO -0.44 -0.31 -0.20 0.78 -0.62 0.00 0.00 178.44 177.65 2dax h ASN 108 N -0.19 -0.68 -0.96 1.25 2.35 -0.81 -0.12 115.58 116.43 2dax h ASN 108 Ca 0.12 0.15 0.30 0.00 -0.55 0.00 0.00 56.30 56.32 2dax h ASN 108 Cb 0.49 0.36 -0.16 0.00 0.05 0.00 0.00 38.32 39.07 2dax h ASN 108 CO -0.76 -0.23 0.36 0.74 -1.65 0.00 0.00 177.43 175.89 2dax h THR 109 N -0.13 0.21 0.17 2.81 2.02 -0.23 -1.23 112.91 116.52 2dax h THR 109 Ca 0.20 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 2dax h THR 109 Cb 0.43 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2dax h THR 109 CO -0.48 0.03 -0.08 0.44 0.37 0.00 0.00 175.52 175.80 2dax h ASP 110 N 0.17 -0.19 -0.82 4.18 5.19 -0.52 -2.97 116.42 121.47 2dax h ASP 110 Ca 0.67 -0.23 0.07 0.00 -0.62 0.00 0.00 57.03 56.92 2dax h ASP 110 Cb 1.51 0.05 -0.10 0.00 0.18 0.00 0.00 39.33 40.97 2dax h ASP 110 CO -0.70 0.37 -0.48 -0.11 -3.12 0.00 0.00 179.24 175.19 2dax n LEU 111 N -4.91 -0.87 -0.05 1.55 7.94 -0.26 0.10 117.00 120.51 2dax n LEU 111 Ca -0.06 1.47 -0.08 0.00 -1.11 0.00 0.00 56.01 56.23 2dax n LEU 111 Cb 0.21 -0.19 -0.02 0.00 0.53 0.00 0.00 43.42 43.94 2dax n LEU 111 CO 0.17 -1.19 0.86 0.74 -1.11 0.00 0.00 177.39 176.86 2dax h THR 112 N 0.00 0.84 -0.41 1.96 2.02 -1.45 -2.77 112.91 113.11 2dax h THR 112 Ca 0.13 -0.02 0.08 0.00 0.77 0.00 0.00 66.41 67.37 2dax h THR 112 Cb 0.34 0.77 -0.09 0.00 -1.74 0.00 0.00 68.15 67.43 2dax h THR 112 CO -0.77 0.01 -0.29 0.00 0.37 0.00 0.00 175.52 174.84 2dax h ALA 113 N 1.19 -0.10 -0.73 6.16 0.00 -0.16 -2.10 119.26 123.52 2dax h ALA 113 Ca 0.10 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.19 2dax h ALA 113 Cb 0.13 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 2dax h ALA 113 CO -0.18 -0.68 -0.43 0.34 0.00 0.00 0.00 179.25 178.30 2dax n PHE 114 N -5.41 -0.32 0.07 0.00 7.35 0.14 -0.03 117.46 119.26 2dax n PHE 114 Ca 0.02 0.91 -0.12 0.00 -0.76 0.00 0.00 57.45 57.49 2dax n PHE 114 Cb 0.33 -0.55 -0.06 0.00 0.35 0.00 0.00 39.48 39.55 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 -0.22 -1.72 -2.13 3.38 -1.48 -1.89 115.31 111.25 2dax h LEU 115 Ca 0.12 0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.50 2dax h LEU 115 Cb 0.30 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 2dax h LEU 115 CO -0.68 -0.12 0.92 1.56 0.09 0.00 0.00 178.44 180.20 2dax h GLN 116 N -0.17 0.10 0.25 1.13 4.20 0.19 0.83 115.11 121.64 2dax h GLN 116 Ca 0.01 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2dax h GLN 116 Cb 0.18 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2dax h GLN 116 CO -0.05 0.07 -0.12 -0.22 -0.67 0.00 0.00 178.83 177.84 2dax h LYS 117 N 0.10 -0.32 0.00 1.46 3.11 -0.22 -3.42 116.57 117.28 2dax h LYS 117 Ca 0.70 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.56 2dax h LYS 117 Cb 2.45 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 33.76 2dax h LYS 117 CO -0.17 -0.21 -0.31 0.72 -2.81 0.00 0.00 179.45 176.67 2dax n HIS 118 N -3.73 0.36 -2.11 1.91 -0.00 -0.61 -4.74 115.22 106.30 2dax n HIS 118 Ca -0.04 0.16 -0.29 0.00 -0.00 0.00 0.00 57.72 57.54 2dax n HIS 118 Cb 0.13 -0.45 -0.05 0.00 -0.00 0.00 0.00 29.99 29.62 2dax n HIS 118 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dax s HIS 120 N 9.37 -0.14 0.00 0.00 5.04 -1.22 -3.33 115.29 125.01 2dax s HIS 120 Ca 0.67 0.39 0.00 0.00 -1.54 0.00 0.00 55.06 54.58 2dax s HIS 120 Cb -0.06 -0.35 0.00 0.00 0.04 0.00 0.00 32.58 32.21 2dax s HIS 120 CO -0.00 -0.37 0.00 0.41 -2.34 0.00 0.00 174.74 172.44 2dax n GLY 121 N 5.32 3.02 3.69 1.59 0.00 -1.26 -5.04 105.19 112.50 2dax n GLY 121 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.17 4.75 -0.44 1.61 1.11 -1.26 -4.74 116.67 116.53 2dax s ASP 122 Ca 0.00 -0.58 -0.26 0.00 0.18 0.00 0.00 52.55 51.90 2dax s ASP 122 Cb 0.00 -0.95 0.02 0.00 1.07 0.00 0.00 42.92 43.07 2dax s ASP 122 CO 0.00 -0.03 0.94 0.68 1.18 0.00 0.00 175.17 177.94 2dax s VAL 123 N -2.30 4.48 -0.28 -1.27 -7.23 -1.26 -4.97 120.40 107.58 2dax s VAL 123 Ca 0.32 0.87 0.00 0.00 -1.81 0.00 0.00 61.98 61.37 2dax s VAL 123 Cb -0.06 -4.43 0.16 0.00 0.56 0.00 0.00 36.38 32.61 2dax s VAL 123 CO 0.21 -0.79 0.46 0.00 -0.31 0.00 0.00 175.10 174.68 2dax n ILE 125 N 5.38 1.53 -0.25 0.00 2.08 -1.26 -4.49 119.36 122.35 2dax n ILE 125 Ca -0.00 -0.21 -0.00 0.00 0.56 0.00 0.00 62.75 63.10 2dax n ILE 125 Cb 0.51 -1.98 0.07 0.00 -0.75 0.00 0.00 39.64 37.48 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 -1.00 -0.81 -0.83 1.39 3.38 -2.00 0.11 115.31 115.56 2dax h LEU 126 Ca -0.51 0.22 0.28 0.00 0.09 0.00 0.00 57.88 57.96 2dax h LEU 126 Cb 1.43 0.49 -0.15 0.00 0.09 0.00 0.00 40.66 42.52 2dax h LEU 126 CO -0.31 -0.26 0.19 0.59 0.09 0.00 0.00 178.44 178.74 2dax n ASN 127 N -5.48 0.06 0.08 -0.43 4.13 -1.26 0.95 115.26 113.31 2dax n ASN 127 Ca 0.09 1.40 -0.13 0.00 1.68 0.00 0.00 54.58 57.62 2dax n ASN 127 Cb 0.37 -0.58 -0.08 0.00 -1.54 0.00 0.00 39.78 37.95 2dax n ASN 127 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dax h ALA 128 N 1.67 -0.17 -0.68 5.41 0.00 -1.01 -2.56 119.26 121.91 2dax h ALA 128 Ca 0.59 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.50 2dax h ALA 128 Cb 1.37 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 2dax h ALA 128 CO -0.73 -0.50 0.45 1.79 0.00 0.00 0.00 179.25 180.27 2dax h THR 129 N -0.37 0.84 0.00 0.00 1.35 0.61 0.14 112.91 115.49 2dax h THR 129 Ca -0.02 -0.14 -0.10 0.00 -0.55 0.00 0.00 66.41 65.61 2dax h THR 129 Cb 0.30 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.11 2dax h THR 129 CO 0.03 0.07 -0.46 -0.33 -0.25 0.00 0.00 175.52 174.58 2dax h GLU 130 N 0.40 0.00 0.00 4.72 5.08 -0.84 0.21 114.58 124.15 2dax h GLU 130 Ca 0.32 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.63 2dax h GLU 130 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2dax h GLU 130 CO -0.09 0.46 -0.50 2.35 -1.00 0.00 0.00 179.01 180.23 2dax h TRP 131 N 0.00 0.00 0.00 4.33 7.01 -0.37 -3.35 115.95 123.57 2dax h TRP 131 Ca -0.00 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.93 2dax h TRP 131 Cb 0.86 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.91 2dax h TRP 131 CO 0.00 0.24 -0.61 0.28 -2.79 0.00 0.00 178.44 175.56 2dax h VAL 132 N 0.00 0.38 -1.23 2.65 2.07 -0.94 -2.85 116.25 116.32 2dax h VAL 132 Ca -0.02 -1.42 0.36 0.00 0.82 0.00 0.00 66.70 66.44 2dax h VAL 132 Cb 1.20 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 2dax h VAL 132 CO 0.03 0.13 1.19 -2.11 0.02 0.00 0.00 177.57 176.83 2dax n ARG 133 N -4.59 0.01 -0.04 1.57 1.85 0.04 0.96 116.66 116.46 2dax n ARG 133 Ca -0.13 0.96 -0.04 0.00 -1.00 0.00 0.00 57.85 57.64 2dax n ARG 133 Cb 0.36 -2.34 -0.01 0.00 -1.05 0.00 0.00 32.46 29.42 2dax n ARG 133 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2dax n GLU 134 N -3.30 0.27 -0.04 2.89 4.07 -1.26 -4.42 120.64 118.84 2dax n GLU 134 Ca 0.28 0.25 -0.08 0.00 -0.06 0.00 0.00 57.16 57.55 2dax n GLU 134 Cb 1.56 -1.13 -0.02 0.00 -0.06 0.00 0.00 31.44 31.79 2dax n GLU 134 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2dax h HIS 135 N -0.55 -0.35 0.00 4.31 3.86 -0.97 -3.07 115.15 118.39 2dax h HIS 135 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2dax h HIS 135 Cb 0.42 0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2dax h HIS 135 CO -0.18 -0.21 0.00 0.00 0.86 0.00 0.00 177.93 178.40 2dax n ALA 136 N -2.62 0.00 -0.32 2.45 0.00 0.27 0.14 120.51 120.43 2dax n ALA 136 Ca -0.01 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.62 2dax n ALA 136 Cb 0.22 0.33 0.39 0.00 0.00 0.00 0.00 19.45 20.38 2dax n ALA 136 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2dax h SER 137 N 0.00 0.33 -0.00 0.00 0.02 -1.72 -0.27 113.55 111.92 2dax h SER 137 Ca 0.00 0.19 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 2dax h SER 137 Cb 0.00 0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 2dax h SER 137 CO 0.00 -0.11 -0.27 1.23 -1.14 0.00 0.00 176.83 176.54 2dax h GLY 138 N 0.31 -0.41 0.44 -3.77 0.00 0.14 -2.83 103.07 96.95 2dax h GLY 138 Ca 0.65 0.32 0.03 0.00 0.00 0.00 0.00 47.33 48.33 2dax h GLY 138 CO -0.61 -0.21 -0.23 -0.97 0.00 0.00 0.00 176.54 174.52 2dax h TYR 139 N -0.41 -0.60 -1.57 5.60 0.05 -0.06 -3.41 116.97 116.57 2dax h TYR 139 Ca 0.06 0.02 -0.72 0.00 0.05 0.00 0.00 58.73 58.14 2dax h TYR 139 Cb 0.49 0.27 0.03 0.00 1.01 0.00 0.00 36.73 38.53 2dax h TYR 139 CO -0.30 -0.31 0.76 0.28 -1.05 0.00 0.00 178.16 177.54 2dax n VAL 140 N -5.35 0.21 -4.54 -2.88 0.31 -0.99 -4.95 118.33 100.14 2dax n VAL 140 Ca -0.04 -0.04 -0.34 0.00 -0.01 0.00 0.00 64.34 63.91 2dax n VAL 140 Cb 0.27 -1.08 -0.11 0.00 -0.91 0.00 0.00 33.84 32.00 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 2.61 4.73 -0.26 4.52 0.01 -1.26 -4.96 113.70 119.08 2dax s SER 141 Ca 0.94 -0.05 -0.35 0.00 1.31 0.00 0.00 55.95 57.81 2dax s SER 141 Cb -1.05 -1.40 -0.15 0.00 0.21 0.00 0.00 66.02 63.63 2dax s SER 141 CO 0.60 0.30 1.10 -1.14 0.41 0.00 0.00 173.24 174.52 2dax n ARG 142 N 2.65 0.00 -3.85 12.44 0.63 -1.26 -4.92 116.66 122.35 2dax n ARG 142 Ca -0.18 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.46 2dax n ARG 142 Cb 0.53 -1.16 -0.16 0.00 0.45 0.00 0.00 32.46 32.12 2dax n ARG 142 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2dax s ASP 143 N 1.56 3.50 0.17 6.15 -4.77 -1.26 -5.13 116.67 116.89 2dax s ASP 143 Ca 0.78 -1.07 -0.12 0.00 -3.30 0.00 0.00 52.55 48.84 2dax s ASP 143 Cb -1.10 -0.94 -0.07 0.00 -1.09 0.00 0.00 42.92 39.72 2dax s ASP 143 CO 0.57 -0.27 0.53 0.42 0.70 0.00 0.00 175.17 177.11 2dax s THR 144 N 1.58 4.92 -0.27 2.11 -4.23 -1.26 -5.08 115.64 113.41 2dax s THR 144 Ca -0.03 0.63 -0.05 0.00 -1.18 0.00 0.00 61.69 61.05 2dax s THR 144 Cb -0.18 -3.68 0.14 0.00 1.34 0.00 0.00 72.50 70.13 2dax s THR 144 CO -0.08 0.13 0.55 -0.94 -0.54 0.00 0.00 174.62 173.74 2dax s SER 145 N -1.98 -0.87 -0.15 3.99 1.04 -1.26 -5.13 113.70 109.34 2dax s SER 145 Ca 0.41 1.04 -0.29 0.00 0.48 0.00 0.00 55.95 57.59 2dax s SER 145 Cb -0.13 1.92 -0.03 0.00 0.10 0.00 0.00 66.02 67.88 2dax s SER 145 CO 0.20 -0.25 1.42 -0.55 0.98 0.00 0.00 173.24 175.04 2dax s SER 146 N 2.78 6.78 -0.15 7.02 0.15 -1.26 -5.00 113.70 124.02 2dax s SER 146 Ca 0.07 1.80 -0.07 0.00 0.70 0.00 0.00 55.95 58.45 2dax s SER 146 Cb -0.14 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.60 2dax s SER 146 CO -0.18 -0.89 0.08 -0.94 1.20 0.00 0.00 173.24 172.50 2dax s SER 147 N 2.70 5.81 -0.06 5.45 1.04 -1.26 -5.06 113.70 122.32 2dax s SER 147 Ca 0.62 0.21 -0.30 0.00 0.48 0.00 0.00 55.95 56.96 2dax s SER 147 Cb -0.25 -1.91 -0.05 0.00 0.10 0.00 0.00 66.02 63.90 2dax s SER 147 CO 0.21 0.27 1.62 -0.83 0.98 0.00 0.00 173.24 175.49 2dax s GLY 148 N -0.21 1.55 0.81 7.32 0.00 -1.26 -4.99 107.32 110.54 2dax s GLY 148 Ca 0.08 0.90 -0.11 0.00 0.00 0.00 0.00 44.72 45.60 2dax s GLY 148 CO 0.01 2.98 1.09 2.56 0.00 0.00 0.00 173.10 179.75 2dax s PRO 149 N 3.95 1.96 -0.27 2.90 0.04 -1.26 -5.08 135.00 137.24 2dax s PRO 149 Ca 0.72 1.06 -0.14 0.00 0.04 0.00 0.00 61.00 62.68 2dax s PRO 149 Cb -0.32 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.43 2dax s PRO 149 CO 0.28 -1.82 0.64 -1.12 0.04 0.00 0.00 177.00 175.03 2dax s SER 150 N -3.41 -0.92 0.20 6.66 0.01 -1.26 -5.14 113.70 109.84 2dax s SER 150 Ca 0.62 1.45 -0.32 0.00 1.31 0.00 0.00 55.95 59.00 2dax s SER 150 Cb -0.17 1.48 -0.14 0.00 0.21 0.00 0.00 66.02 67.40 2dax s SER 150 CO 0.56 -0.23 1.36 -1.54 0.41 0.00 0.00 173.24 173.80 2dax n SER 151 N 4.54 2.32 0.00 2.44 3.41 -1.26 -5.34 113.62 119.74 2dax n SER 151 Ca -0.19 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 2dax n SER 151 Cb 0.57 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 2dax n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49