#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 6.78 -0.29 1.61 0.15 -1.26 -4.97 113.70 115.72 2dax s SER 2 Ca 0.00 0.87 -0.28 0.00 0.70 0.00 0.00 55.95 57.24 2dax s SER 2 Cb 0.00 -2.45 -0.06 0.00 -1.71 0.00 0.00 66.02 61.80 2dax s SER 2 CO 0.00 -0.65 2.27 -0.24 1.20 0.00 0.00 173.24 175.82 2dax n SER 3 N 6.31 2.96 0.00 5.45 2.88 -1.26 -3.15 113.62 126.81 2dax n SER 3 Ca 0.06 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2dax n SER 3 Cb 0.48 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 2dax n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dax n GLY 4 N 5.88 2.18 3.54 0.46 0.00 -1.26 -5.05 105.19 110.94 2dax n GLY 4 Ca 0.32 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 2dax n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dax n SER 5 N 0.00 1.20 0.17 1.61 3.41 -1.19 -4.77 113.62 114.04 2dax n SER 5 Ca 0.00 -0.87 -0.11 0.00 -0.26 0.00 0.00 58.87 57.64 2dax n SER 5 Cb 0.00 -1.36 -0.06 0.00 -0.26 0.00 0.00 64.21 62.53 2dax n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dax h SER 6 N 14.25 -0.41 0.00 4.04 0.87 -1.91 -3.46 113.55 126.93 2dax h SER 6 Ca -0.06 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2dax h SER 6 Cb 1.13 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2dax h SER 6 CO 1.20 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 178.15 2dax n GLY 7 N 0.21 0.08 0.16 5.77 0.00 -1.26 -4.25 105.19 105.89 2dax n GLY 7 Ca -0.08 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 0.47 -0.99 1.61 4.11 -1.99 -3.17 114.58 114.63 2dax h GLU 8 Ca 0.00 -0.11 0.12 0.00 0.07 0.00 0.00 59.36 59.44 2dax h GLU 8 Cb 0.00 -0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.05 2dax h GLU 8 CO 0.00 0.54 -0.49 0.94 0.07 0.00 0.00 179.01 180.07 2dax n GLN 9 N -4.68 -0.34 -0.11 1.06 7.27 -1.26 -0.11 117.38 119.21 2dax n GLN 9 Ca -0.02 1.50 -0.06 0.00 0.07 0.00 0.00 57.00 58.49 2dax n GLN 9 Cb 0.18 -2.22 0.01 0.00 2.41 0.00 0.00 30.24 30.62 2dax n GLN 9 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2dax h ALA 10 N 0.90 0.07 -0.48 1.69 0.00 -1.89 0.59 119.26 120.14 2dax h ALA 10 Ca 0.25 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.30 2dax h ALA 10 Cb 0.49 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2dax h ALA 10 CO -0.95 -0.57 0.32 0.93 0.00 0.00 0.00 179.25 178.98 2dax h GLU 11 N -0.14 0.63 0.08 0.00 5.08 -0.62 0.23 114.58 119.84 2dax h GLU 11 Ca 0.19 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2dax h GLU 11 Cb 0.43 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2dax h GLU 11 CO -0.47 0.42 -0.04 0.00 -1.00 0.00 0.00 179.01 177.92 2dax h ALA 12 N 1.70 -0.10 -0.23 3.43 0.00 0.17 -0.56 119.26 123.67 2dax h ALA 12 Ca 0.18 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 2dax h ALA 12 Cb -0.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2dax h ALA 12 CO -0.04 -0.51 -0.48 1.96 0.00 0.00 0.00 179.25 180.18 2dax h GLN 13 N -0.19 0.73 0.37 0.00 4.20 -0.91 -3.26 115.11 116.04 2dax h GLN 13 Ca -0.01 -0.48 -0.01 0.00 0.06 0.00 0.00 58.65 58.21 2dax h GLN 13 Cb 0.16 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 2dax h GLN 13 CO 0.02 1.10 -0.26 1.25 -0.67 0.00 0.00 178.83 180.27 2dax h LEU 14 N 0.45 -0.67 -0.75 1.46 5.85 -0.51 -2.73 115.31 118.40 2dax h LEU 14 Ca 0.00 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.87 2dax h LEU 14 Cb 1.09 0.20 -0.11 0.00 0.37 0.00 0.00 40.66 42.21 2dax h LEU 14 CO 0.11 -0.38 -0.34 0.00 -0.34 0.00 0.00 178.44 177.49 2dax n ALA 15 N -2.47 -0.21 -0.25 1.25 0.00 -0.22 0.17 120.51 118.78 2dax n ALA 15 Ca -0.07 0.71 0.06 0.00 0.00 0.00 0.00 53.44 54.14 2dax n ALA 15 Cb 0.25 -0.26 0.19 0.00 0.00 0.00 0.00 19.45 19.63 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 0.34 0.00 0.00 4.81 -1.57 -0.56 114.58 117.61 2dax h GLU 16 Ca 0.22 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2dax h GLU 16 Cb 0.41 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2dax h GLU 16 CO -0.73 0.23 0.00 1.28 -0.73 0.00 0.00 179.01 179.05 2dax n LEU 17 N -5.08 0.00 -0.32 1.64 4.77 0.45 -1.19 117.00 117.26 2dax n LEU 17 Ca 0.15 1.00 0.21 0.00 -0.03 0.00 0.00 56.01 57.34 2dax n LEU 17 Cb 0.45 -0.50 0.42 0.00 -2.33 0.00 0.00 43.42 41.46 2dax n LEU 17 CO 0.15 -0.50 0.98 -0.78 -1.33 0.00 0.00 177.39 175.91 2dax h ASP 18 N 0.00 0.08 0.47 -1.43 1.82 -1.19 0.15 116.42 116.31 2dax h ASP 18 Ca 0.00 0.24 -0.02 0.00 -0.39 0.00 0.00 57.03 56.86 2dax h ASP 18 Cb 0.00 0.30 -0.00 0.00 0.68 0.00 0.00 39.33 40.31 2dax h ASP 18 CO 0.00 -0.29 -0.27 0.25 -1.61 0.00 0.00 179.24 177.32 2dax h LEU 19 N 0.12 -0.67 -0.19 2.28 6.46 -0.93 -3.04 115.31 119.34 2dax h LEU 19 Ca 0.69 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 58.54 2dax h LEU 19 Cb 1.60 0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 41.65 2dax h LEU 19 CO -0.75 -0.44 -0.35 -0.07 -0.62 0.00 0.00 178.44 176.22 2dax h LEU 20 N -0.70 -1.10 -0.95 2.25 3.38 0.75 0.12 115.31 119.06 2dax h LEU 20 Ca -0.06 0.16 0.28 0.00 0.09 0.00 0.00 57.88 58.36 2dax h LEU 20 Cb 0.56 0.47 -0.18 0.00 0.09 0.00 0.00 40.66 41.61 2dax h LEU 20 CO 0.07 -0.37 0.08 0.00 0.09 0.00 0.00 178.44 178.31 2dax n ALA 21 N -2.90 0.55 0.08 1.53 0.00 -0.71 0.86 120.51 119.92 2dax n ALA 21 Ca -0.02 1.01 -0.19 0.00 0.00 0.00 0.00 53.44 54.24 2dax n ALA 21 Cb 0.34 -0.77 -0.11 0.00 0.00 0.00 0.00 19.45 18.91 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 0.76 -1.02 0.00 0.02 -1.12 -3.27 113.55 108.93 2dax h SER 22 Ca 0.61 -0.68 0.25 0.00 -0.84 0.00 0.00 61.79 61.13 2dax h SER 22 Cb 1.31 -0.24 -0.11 0.00 0.14 0.00 0.00 62.40 63.50 2dax h SER 22 CO -0.87 1.49 0.62 0.24 -1.14 0.00 0.00 176.83 177.17 2dax h MET 23 N 0.26 0.51 -3.43 3.45 2.07 0.30 -3.05 114.93 115.05 2dax h MET 23 Ca -0.15 -0.03 -0.73 0.00 -2.07 0.00 0.00 59.70 56.72 2dax h MET 23 Cb 1.82 -0.11 -0.33 0.00 -1.87 0.00 0.00 31.60 31.10 2dax h MET 23 CO 0.21 0.33 -0.00 -0.06 1.07 0.00 0.00 176.91 178.47 2dax s PHE 24 N -5.68 3.91 0.12 -0.22 0.40 -0.64 -4.87 117.98 111.00 2dax s PHE 24 Ca -0.10 -2.86 0.34 0.00 -0.60 0.00 0.00 56.93 53.71 2dax s PHE 24 Cb 0.27 -3.39 1.42 0.00 0.51 0.00 0.00 43.02 41.82 2dax s PHE 24 CO 0.80 -0.81 2.00 -1.00 0.70 0.00 0.00 175.22 176.91 2dax h PRO 25 N 6.37 0.00 -7.12 0.24 0.13 -1.73 -3.46 132.00 126.43 2dax h PRO 25 Ca 0.14 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.72 2dax h PRO 25 Cb 0.85 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.15 2dax h PRO 25 CO 0.86 0.00 0.42 0.41 -0.23 0.00 0.00 178.00 179.47 2dax n GLY 26 N -0.02 0.30 3.80 1.56 0.00 -1.26 -4.98 105.19 104.60 2dax n GLY 26 Ca 0.00 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.57 4.44 -1.26 1.61 2.12 -1.26 -4.03 118.70 116.74 2dax s GLU 27 Ca 0.79 1.16 -0.05 0.00 0.36 0.00 0.00 54.97 57.23 2dax s GLU 27 Cb -0.35 -2.75 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 2dax s GLU 27 CO 0.44 0.28 0.70 0.09 -0.54 0.00 0.00 175.26 176.22 2dax n ASN 28 N 0.45 -2.37 -0.02 -1.70 3.02 -1.26 -4.90 115.26 108.47 2dax n ASN 28 Ca 0.01 -0.88 -0.03 0.00 -0.03 0.00 0.00 54.58 53.65 2dax n ASN 28 Cb 0.51 -3.86 -0.02 0.00 -0.61 0.00 0.00 39.78 35.79 2dax n ASN 28 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2dax n GLU 29 N -4.18 0.40 -4.22 3.52 -0.00 -1.26 -4.93 120.64 109.96 2dax n GLU 29 Ca -0.24 0.02 -0.19 0.00 -0.00 0.00 0.00 57.16 56.76 2dax n GLU 29 Cb 0.66 -1.09 -0.16 0.00 -0.00 0.00 0.00 31.44 30.85 2dax n GLU 29 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2dax s LEU 30 N -5.19 1.62 -0.06 -1.84 0.20 -1.26 0.11 118.68 112.26 2dax s LEU 30 Ca -0.06 -0.13 0.02 0.00 0.69 0.00 0.00 54.13 54.65 2dax s LEU 30 Cb 0.02 -0.42 0.02 0.00 -0.43 0.00 0.00 46.19 45.37 2dax s LEU 30 CO 0.11 0.01 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.46 2dax s ILE 31 N 0.45 0.93 -0.50 6.68 1.09 0.07 -4.96 121.20 124.96 2dax s ILE 31 Ca -0.06 -0.35 -0.11 0.00 -1.10 0.00 0.00 60.65 59.03 2dax s ILE 31 Cb -0.10 -0.88 0.13 0.00 -1.06 0.00 0.00 42.46 40.54 2dax s ILE 31 CO 0.00 0.31 0.40 0.54 -0.10 0.00 0.00 174.94 176.10 2dax s VAL 32 N 0.82 4.51 0.12 2.92 0.11 -1.26 0.38 120.40 128.00 2dax s VAL 32 Ca -0.12 -1.75 -0.28 0.00 -2.93 0.00 0.00 61.98 56.89 2dax s VAL 32 Cb -0.15 -3.94 -0.07 0.00 -1.53 0.00 0.00 36.38 30.69 2dax s VAL 32 CO 0.02 -0.81 1.61 -1.13 -3.33 0.00 0.00 175.10 171.45 2dax h ASN 33 N 8.52 -1.05 -2.10 3.54 -0.73 -1.87 -3.19 115.58 118.71 2dax h ASN 33 Ca -0.22 0.13 -0.75 0.00 1.87 0.00 0.00 56.30 57.33 2dax h ASN 33 Cb 1.08 0.42 -0.18 0.00 0.27 0.00 0.00 38.32 39.90 2dax h ASN 33 CO 0.90 -0.41 1.44 -0.67 -0.37 0.00 0.00 177.43 178.32 2dax n ASP 34 N -5.43 5.24 -0.13 1.15 -0.08 -0.85 -4.78 116.55 111.67 2dax n ASP 34 Ca -0.05 -3.02 -0.12 0.00 -1.51 0.00 0.00 54.79 50.08 2dax n ASP 34 Cb 0.34 -1.53 -0.02 0.00 2.34 0.00 0.00 41.12 42.25 2dax n ASP 34 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 2dax h GLN 35 N 6.75 0.84 -0.77 -0.67 5.75 -1.84 -3.11 115.11 122.05 2dax h GLN 35 Ca 0.32 -0.38 0.13 0.00 -0.15 0.00 0.00 58.65 58.58 2dax h GLN 35 Cb 0.81 -0.02 -0.09 0.00 1.07 0.00 0.00 27.48 29.25 2dax h GLN 35 CO 1.32 1.01 0.36 1.25 -2.65 0.00 0.00 178.83 180.12 2dax h LEU 36 N 0.65 0.40 -1.07 -2.39 5.85 -1.92 -0.75 115.31 116.09 2dax h LEU 36 Ca 0.08 0.09 0.38 0.00 0.84 0.00 0.00 57.88 59.28 2dax h LEU 36 Cb 0.78 0.03 -0.16 0.00 0.37 0.00 0.00 40.66 41.68 2dax h LEU 36 CO 0.06 0.18 0.60 0.00 -0.34 0.00 0.00 178.44 178.95 2dax h ALA 37 N 1.52 2.18 0.27 1.25 0.00 -1.88 0.19 119.26 122.78 2dax h ALA 37 Ca 0.41 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.52 2dax h ALA 37 Cb 0.57 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2dax h ALA 37 CO -0.36 -0.87 -0.13 0.28 0.00 0.00 0.00 179.25 178.18 2dax h VAL 38 N 0.15 0.42 -0.63 0.00 2.07 -1.29 -2.25 116.25 114.73 2dax h VAL 38 Ca 0.80 -0.87 0.12 0.00 0.82 0.00 0.00 66.70 67.56 2dax h VAL 38 Cb 2.07 0.70 -0.12 0.00 -1.52 0.00 0.00 31.29 32.42 2dax h VAL 38 CO -0.64 0.11 -0.29 0.00 0.02 0.00 0.00 177.57 176.76 2dax h ALA 39 N -0.72 0.10 -0.87 1.67 0.00 -0.96 0.18 119.26 118.66 2dax h ALA 39 Ca -0.04 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2dax h ALA 39 Cb 0.45 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2dax h ALA 39 CO 0.06 -0.60 0.48 0.93 0.00 0.00 0.00 179.25 180.11 2dax h GLU 40 N -0.12 1.22 0.15 0.00 5.08 -1.15 -2.86 114.58 116.90 2dax h GLU 40 Ca 0.26 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2dax h GLU 40 Cb 0.54 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2dax h GLU 40 CO -0.69 0.89 -0.09 1.25 -1.00 0.00 0.00 179.01 179.37 2dax h LEU 41 N 1.22 -0.23 -0.70 1.33 5.85 -0.15 -2.50 115.31 120.14 2dax h LEU 41 Ca 0.31 0.01 0.15 0.00 0.84 0.00 0.00 57.88 59.19 2dax h LEU 41 Cb 0.03 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.02 2dax h LEU 41 CO -0.05 -0.15 0.11 0.11 -0.34 0.00 0.00 178.44 178.12 2dax h LYS 42 N -0.24 0.21 0.43 1.25 1.57 -0.60 -2.00 116.57 117.19 2dax h LYS 42 Ca -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2dax h LYS 42 Cb 0.20 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2dax h LYS 42 CO 0.01 0.14 -0.41 0.22 -0.57 0.00 0.00 179.45 178.84 2dax h ASP 43 N 0.21 -1.12 -0.78 0.86 3.58 -1.27 -2.85 116.42 115.05 2dax h ASP 43 Ca 0.38 0.09 0.11 0.00 0.42 0.00 0.00 57.03 58.04 2dax h ASP 43 Cb 0.64 0.37 -0.12 0.00 1.72 0.00 0.00 39.33 41.94 2dax h ASP 43 CO -0.52 -0.57 -0.33 0.00 -2.88 0.00 0.00 179.24 174.94 2dax h ILE 45 N 0.00 0.01 -0.55 0.00 2.04 -1.37 0.48 117.51 118.12 2dax h ILE 45 Ca 0.25 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.13 2dax h ILE 45 Cb 0.45 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 2dax h ILE 45 CO -0.77 0.00 0.34 -0.33 0.00 0.00 0.00 178.15 177.39 2dax h GLU 46 N -0.41 0.66 0.00 2.37 5.08 -0.51 -0.10 114.58 121.67 2dax h GLU 46 Ca 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2dax h GLU 46 Cb 0.60 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2dax h GLU 46 CO -0.58 0.44 0.00 1.63 -1.00 0.00 0.00 179.01 179.49 2dax n LYS 47 N -4.76 0.04 -3.64 2.33 4.76 0.62 -4.86 118.16 112.65 2dax n LYS 47 Ca 0.04 0.38 -0.24 0.00 -2.87 0.00 0.00 58.31 55.63 2dax n LYS 47 Cb 0.07 -1.59 0.07 0.00 -1.84 0.00 0.00 35.03 31.73 2dax n LYS 47 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2dax n LYS 48 N -1.67 -6.83 -3.67 1.97 5.02 0.16 -4.99 118.16 108.16 2dax n LYS 48 Ca 0.02 0.76 -0.08 0.00 -2.02 0.00 0.00 58.31 56.99 2dax n LYS 48 Cb 0.12 -5.72 -0.09 0.00 -0.02 0.00 0.00 35.03 29.32 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 -3.36 -0.40 -0.16 -0.18 -1.32 -0.90 -4.92 115.64 104.40 2dax s THR 49 Ca 0.41 0.09 -0.05 0.00 -1.21 0.00 0.00 61.69 60.94 2dax s THR 49 Cb -0.19 -0.75 -0.13 0.00 -1.51 0.00 0.00 72.50 69.91 2dax s THR 49 CO 0.76 0.04 3.23 0.23 -2.21 0.00 0.00 174.62 176.67 2dax n MET 50 N 4.87 2.08 -3.83 7.08 2.81 -1.26 -4.56 117.12 124.31 2dax n MET 50 Ca -0.16 -1.42 -0.24 0.00 -1.81 0.00 0.00 57.70 54.07 2dax n MET 50 Cb 0.53 -1.99 -0.17 0.00 -0.71 0.00 0.00 33.22 30.87 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 -0.02 0.97 0.00 0.03 2.12 -1.26 -4.85 118.70 115.69 2dax s GLU 51 Ca 0.60 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.90 2dax s GLU 51 Cb 0.33 -1.21 0.00 0.00 0.26 0.00 0.00 34.13 33.51 2dax s GLU 51 CO -0.07 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 174.77 2dax n GLY 52 N 5.04 4.09 0.10 -1.50 0.00 -1.26 -4.92 105.19 106.73 2dax n GLY 52 Ca -0.10 -0.64 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.10 -1.82 1.61 1.74 -1.26 -4.66 116.66 112.17 2dax n ARG 53 Ca 0.00 0.85 -0.05 0.00 -0.77 0.00 0.00 57.85 57.88 2dax n ARG 53 Cb 0.00 -1.26 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 2dax n ARG 53 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dax n SER 54 N -3.41 -1.87 -3.67 0.55 2.88 -1.26 -4.85 113.62 101.99 2dax n SER 54 Ca 0.00 0.25 -0.09 0.00 -1.33 0.00 0.00 58.87 57.71 2dax n SER 54 Cb 0.06 -1.84 -0.09 0.00 -0.75 0.00 0.00 64.21 61.59 2dax n SER 54 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dax s SER 55 N -1.74 -0.74 0.22 -3.46 0.01 -1.26 -5.14 113.70 101.59 2dax s SER 55 Ca 0.00 1.23 -0.28 0.00 1.31 0.00 0.00 55.95 58.21 2dax s SER 55 Cb 0.00 1.12 -0.09 0.00 0.21 0.00 0.00 66.02 67.26 2dax s SER 55 CO 0.00 -0.22 0.89 -0.54 0.41 0.00 0.00 173.24 173.78 2dax s LYS 56 N 1.42 4.76 -0.70 12.44 1.02 -1.26 -4.88 119.74 132.54 2dax s LYS 56 Ca -0.09 1.38 -0.26 0.00 0.02 0.00 0.00 55.97 57.02 2dax s LYS 56 Cb -0.06 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 2dax s LYS 56 CO -0.15 0.52 1.91 0.08 -0.92 0.00 0.00 175.35 176.79 2dax s VAL 57 N -1.19 3.37 -0.31 3.17 1.01 -1.22 -4.90 120.40 120.33 2dax s VAL 57 Ca 0.40 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 2dax s VAL 57 Cb -0.25 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2dax s VAL 57 CO 0.30 -0.89 0.12 -0.47 0.00 0.00 0.00 175.10 174.16 2dax s TYR 58 N 9.53 3.17 -0.02 5.22 5.04 -1.26 -2.22 117.35 136.82 2dax s TYR 58 Ca 0.69 -0.83 -0.00 0.00 -2.44 0.00 0.00 57.07 54.49 2dax s TYR 58 Cb -0.11 -2.31 0.03 0.00 0.35 0.00 0.00 41.96 39.92 2dax s TYR 58 CO 0.14 -0.54 0.04 -0.59 -1.34 0.00 0.00 175.55 173.25 2dax s PHE 59 N 1.55 0.02 -0.27 4.97 -0.71 -1.02 -2.01 117.98 120.50 2dax s PHE 59 Ca 0.03 0.15 -0.11 0.00 -1.04 0.00 0.00 56.93 55.96 2dax s PHE 59 Cb -0.17 -0.22 -0.05 0.00 -1.21 0.00 0.00 43.02 41.36 2dax s PHE 59 CO 0.04 -0.09 0.18 0.99 -1.34 0.00 0.00 175.22 175.00 2dax s THR 60 N 1.06 5.32 -0.22 -4.49 2.01 0.16 -2.41 115.64 117.07 2dax s THR 60 Ca -0.09 0.17 -0.12 0.00 0.31 0.00 0.00 61.69 61.97 2dax s THR 60 Cb -0.13 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 2dax s THR 60 CO -0.03 0.28 0.21 -0.63 -0.69 0.00 0.00 174.62 173.76 2dax s ILE 61 N 1.54 5.33 -0.26 1.82 1.01 -1.16 -0.75 121.20 128.73 2dax s ILE 61 Ca 0.07 0.30 -0.12 0.00 0.00 0.00 0.00 60.65 60.91 2dax s ILE 61 Cb -0.15 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 2dax s ILE 61 CO 0.09 0.34 0.23 0.20 0.00 0.00 0.00 174.94 175.80 2dax s ASN 62 N 0.94 6.12 -0.23 3.58 0.01 0.30 -2.03 114.94 123.63 2dax s ASN 62 Ca 0.10 0.12 -0.00 0.00 -0.71 0.00 0.00 52.86 52.38 2dax s ASN 62 Cb -0.13 -2.14 0.06 0.00 0.41 0.00 0.00 41.25 39.44 2dax s ASN 62 CO 0.04 -0.05 -0.03 -0.04 -1.51 0.00 0.00 177.10 175.52 2dax s MET 63 N 1.59 1.39 -0.36 -0.60 -1.94 -1.15 -4.55 119.30 113.68 2dax s MET 63 Ca 0.10 -0.87 -0.26 0.00 -1.71 0.00 0.00 55.69 52.95 2dax s MET 63 Cb -0.15 -2.48 0.01 0.00 2.01 0.00 0.00 34.83 34.22 2dax s MET 63 CO 0.09 -0.62 0.92 0.54 -0.01 0.00 0.00 175.02 175.94 2dax s ASN 64 N 1.50 6.68 0.09 3.03 4.22 -1.26 -2.23 114.94 126.97 2dax s ASN 64 Ca -0.04 0.59 -0.02 0.00 -2.14 0.00 0.00 52.86 51.25 2dax s ASN 64 Cb -0.18 -2.46 -0.04 0.00 1.28 0.00 0.00 41.25 39.85 2dax s ASN 64 CO -0.07 -0.84 0.03 -0.76 -2.04 0.00 0.00 177.10 173.42 2dax s LEU 65 N 3.43 2.08 0.48 3.54 1.43 -0.77 -4.94 118.68 123.93 2dax s LEU 65 Ca 0.38 -1.07 -0.19 0.00 -1.03 0.00 0.00 54.13 52.21 2dax s LEU 65 Cb -0.12 0.31 -0.09 0.00 0.03 0.00 0.00 46.19 46.32 2dax s LEU 65 CO 0.18 -0.67 0.99 1.51 0.23 0.00 0.00 176.35 178.58 2dax s ASP 66 N -2.98 6.64 0.00 2.29 -4.77 -1.26 -0.91 116.67 115.69 2dax s ASP 66 Ca 0.15 1.70 0.00 0.00 -3.30 0.00 0.00 52.55 51.10 2dax s ASP 66 Cb 0.07 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.37 2dax s ASP 66 CO -0.04 -0.57 0.00 1.33 0.70 0.00 0.00 175.17 176.58 2dax n VAL 67 N -1.12 0.00 -3.98 2.11 0.24 -1.19 -4.51 118.33 109.88 2dax n VAL 67 Ca 0.07 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.39 2dax n VAL 67 Cb 0.54 -0.55 0.01 0.00 -1.47 0.00 0.00 33.84 32.37 2dax n VAL 67 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2dax s SER 68 N -4.00 0.01 -0.97 -1.34 0.15 -1.26 -4.60 113.70 101.68 2dax s SER 68 Ca 0.00 -0.27 -0.10 0.00 0.70 0.00 0.00 55.95 56.27 2dax s SER 68 Cb 0.00 0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.52 2dax s SER 68 CO 0.00 -0.40 0.20 0.47 1.20 0.00 0.00 173.24 174.71 2dax n ASP 69 N -1.10 -0.80 -3.86 5.45 8.00 -1.26 0.99 116.55 123.97 2dax n ASP 69 Ca 0.03 -0.89 -0.24 0.00 0.71 0.00 0.00 54.79 54.39 2dax n ASP 69 Cb 0.59 -1.09 -0.07 0.00 -0.02 0.00 0.00 41.12 40.52 2dax n ASP 69 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2dax n GLU 70 N -3.62 -0.93 -4.54 -1.24 2.13 -1.26 -4.89 120.64 106.29 2dax n GLU 70 Ca -0.16 0.07 -0.30 0.00 0.66 0.00 0.00 57.16 57.43 2dax n GLU 70 Cb 0.44 -2.80 -0.08 0.00 0.27 0.00 0.00 31.44 29.27 2dax n GLU 70 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2dax s LYS 71 N -6.22 2.14 0.08 5.31 -0.14 0.28 -5.07 119.74 116.11 2dax s LYS 71 Ca 0.08 -2.20 0.04 0.00 -1.36 0.00 0.00 55.97 52.53 2dax s LYS 71 Cb -0.05 -1.69 -0.03 0.00 -1.68 0.00 0.00 37.83 34.38 2dax s LYS 71 CO 0.75 -0.27 -0.11 -1.64 -0.76 0.00 0.00 175.35 173.33 2dax s MET 72 N -3.88 0.77 0.04 1.68 -1.94 -1.26 -3.15 119.30 111.57 2dax s MET 72 Ca 0.22 -1.03 -0.18 0.00 -1.71 0.00 0.00 55.69 52.99 2dax s MET 72 Cb 0.04 -0.55 0.04 0.00 2.01 0.00 0.00 34.83 36.36 2dax s MET 72 CO 0.12 0.10 0.41 0.00 -0.01 0.00 0.00 175.02 175.64 2dax s ALA 73 N -1.94 -1.00 0.32 3.03 0.00 -0.08 -4.91 121.76 117.18 2dax s ALA 73 Ca 0.00 0.30 -0.13 0.00 0.00 0.00 0.00 51.96 52.14 2dax s ALA 73 Cb -0.06 0.34 -0.08 0.00 0.00 0.00 0.00 23.12 23.32 2dax s ALA 73 CO 0.01 -0.45 0.71 -1.64 0.00 0.00 0.00 175.76 174.38 2dax s MET 74 N -2.46 3.90 -0.31 0.00 -1.94 -1.26 -1.85 119.30 115.38 2dax s MET 74 Ca -0.05 0.53 -0.01 0.00 -1.71 0.00 0.00 55.69 54.45 2dax s MET 74 Cb -0.01 -2.46 0.10 0.00 2.01 0.00 0.00 34.83 34.47 2dax s MET 74 CO -0.02 0.14 0.10 -0.06 -0.01 0.00 0.00 175.02 175.16 2dax s PHE 75 N -2.05 1.67 -0.31 -0.03 0.08 -0.95 -4.79 117.98 111.61 2dax s PHE 75 Ca 0.52 -1.71 -0.27 0.00 0.12 0.00 0.00 56.93 55.60 2dax s PHE 75 Cb -0.10 -1.69 0.01 0.00 -0.57 0.00 0.00 43.02 40.67 2dax s PHE 75 CO 0.22 -0.87 0.96 -1.54 -0.10 0.00 0.00 175.22 173.88 2dax s SER 76 N 1.63 6.84 -0.58 1.36 1.04 -0.73 -2.91 113.70 120.35 2dax s SER 76 Ca 0.10 0.92 -0.07 0.00 0.48 0.00 0.00 55.95 57.38 2dax s SER 76 Cb -0.17 -2.49 0.15 0.00 0.10 0.00 0.00 66.02 63.61 2dax s SER 76 CO -0.25 -0.76 0.43 -0.76 0.98 0.00 0.00 173.24 172.88 2dax s LEU 77 N 3.34 5.64 -0.67 2.42 1.02 -0.86 -0.35 118.68 129.22 2dax s LEU 77 Ca 0.40 -2.41 -0.26 0.00 0.02 0.00 0.00 54.13 51.88 2dax s LEU 77 Cb -0.13 -1.96 -0.01 0.00 0.02 0.00 0.00 46.19 44.10 2dax s LEU 77 CO 0.13 -0.53 1.75 0.00 0.02 0.00 0.00 176.35 177.72 2dax s ALA 78 N 0.60 2.24 -0.19 4.21 0.00 -0.60 -2.97 121.76 125.04 2dax s ALA 78 Ca 0.12 -0.91 -0.10 0.00 0.00 0.00 0.00 51.96 51.07 2dax s ALA 78 Cb -0.21 -4.33 -0.05 0.00 0.00 0.00 0.00 23.12 18.53 2dax s ALA 78 CO -0.03 -3.87 0.13 0.00 0.00 0.00 0.00 175.76 171.98 2dax s ILE 80 N 0.26 1.27 -0.46 0.00 1.01 -1.25 -2.43 121.20 119.59 2dax s ILE 80 Ca 0.09 -0.50 -0.18 0.00 0.00 0.00 0.00 60.65 60.05 2dax s ILE 80 Cb -0.11 -1.27 0.04 0.00 0.01 0.00 0.00 42.46 41.13 2dax s ILE 80 CO -0.02 0.35 0.53 -0.76 0.00 0.00 0.00 174.94 175.04 2dax s LEU 81 N 1.60 4.98 0.00 2.97 1.43 -0.94 -2.05 118.68 126.67 2dax s LEU 81 Ca 0.04 -0.83 -0.14 0.00 -1.03 0.00 0.00 54.13 52.17 2dax s LEU 81 Cb -0.13 -2.42 0.21 0.00 0.03 0.00 0.00 46.19 43.88 2dax s LEU 81 CO -0.09 -0.73 0.75 -0.81 0.23 0.00 0.00 176.35 175.70 2dax n PRO 82 N 5.84 -2.50 -0.57 1.29 -0.04 -1.26 -3.41 135.00 134.35 2dax n PRO 82 Ca -0.07 -1.21 -0.06 0.00 -0.04 0.00 0.00 63.50 62.12 2dax n PRO 82 Cb 0.46 -1.13 0.14 0.00 -0.04 0.00 0.00 33.50 32.93 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 -4.14 1.41 -0.00 0.54 3.72 -1.26 -4.05 117.46 113.68 2dax n PHE 83 Ca 0.10 -0.89 -0.00 0.00 -0.05 0.00 0.00 57.45 56.62 2dax n PHE 83 Cb 0.41 -0.50 -0.00 0.00 -0.94 0.00 0.00 39.48 38.45 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 -0.10 0.00 -0.57 -1.08 4.76 -1.26 -5.05 118.16 114.86 2dax n LYS 84 Ca 0.25 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.50 2dax n LYS 84 Cb 0.97 -0.52 -0.01 0.00 -1.84 0.00 0.00 35.03 33.64 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 -2.99 -0.41 0.86 2.13 9.36 -1.25 -1.12 117.16 123.73 2dax n TYR 85 Ca -0.00 0.36 0.08 0.00 3.32 0.00 0.00 57.90 61.65 2dax n TYR 85 Cb 0.50 -0.80 0.42 0.00 -0.63 0.00 0.00 39.34 38.84 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 0.46 0.37 0.00 2.98 -0.04 -1.26 -4.86 135.00 132.65 2dax n PRO 86 Ca 0.07 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2dax n PRO 86 Cb 0.12 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 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 -1.12 -0.00 -2.85 0.55 0.00 -0.28 -4.05 120.51 112.76 2dax n ALA 87 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.19 2dax n ALA 87 Cb 0.08 0.41 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.33 4.70 0.78 0.00 -7.23 -1.26 -4.74 120.40 110.32 2dax s VAL 88 Ca 0.00 -0.06 -0.16 0.00 -1.81 0.00 0.00 61.98 59.95 2dax s VAL 88 Cb 0.00 -3.14 -0.04 0.00 0.56 0.00 0.00 36.38 33.76 2dax s VAL 88 CO 0.00 0.42 0.32 0.18 -0.31 0.00 0.00 175.10 175.71 2dax n LEU 89 N 3.92 -0.43 -4.68 1.32 4.77 -1.26 -3.74 117.00 116.90 2dax n LEU 89 Ca -0.16 0.50 -0.29 0.00 -0.03 0.00 0.00 56.01 56.03 2dax n LEU 89 Cb 0.52 -1.14 0.17 0.00 -2.33 0.00 0.00 43.42 40.64 2dax n LEU 89 CO 0.34 -3.65 0.64 -2.16 -1.33 0.00 0.00 177.39 171.24 2dax s PRO 90 N -2.74 0.50 -0.98 3.23 0.04 -1.26 -4.88 135.00 128.91 2dax s PRO 90 Ca 0.60 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.18 2dax s PRO 90 Cb -0.31 -1.74 0.31 0.00 0.04 0.00 0.00 34.50 32.79 2dax s PRO 90 CO 0.63 -2.69 1.50 0.39 0.04 0.00 0.00 177.00 176.86 2dax n GLU 91 N -4.15 4.55 -2.14 4.56 1.02 -0.87 -4.91 120.64 118.70 2dax n GLU 91 Ca 0.05 -4.63 -0.43 0.00 -0.02 0.00 0.00 57.16 52.13 2dax n GLU 91 Cb 0.57 -2.45 -0.02 0.00 -0.02 0.00 0.00 31.44 29.51 2dax n GLU 91 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2dax s ILE 92 N -3.44 3.66 -0.40 -3.67 1.01 -1.24 -3.82 121.20 113.30 2dax s ILE 92 Ca 0.36 0.67 -0.05 0.00 0.00 0.00 0.00 60.65 61.64 2dax s ILE 92 Cb 0.13 -3.86 0.09 0.00 0.01 0.00 0.00 42.46 38.82 2dax s ILE 92 CO -0.00 -0.54 0.19 -0.89 0.00 0.00 0.00 174.94 173.70 2dax s THR 93 N 6.20 3.52 0.19 2.92 2.01 0.94 -4.90 115.64 126.52 2dax s THR 93 Ca 0.72 -1.76 -0.30 0.00 0.31 0.00 0.00 61.69 60.66 2dax s THR 93 Cb -0.19 -3.27 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 2dax s THR 93 CO 0.33 -0.55 1.17 -0.69 -0.69 0.00 0.00 174.62 174.20 2dax s VAL 94 N 1.24 3.60 0.01 3.82 1.01 -1.26 -1.56 120.40 127.25 2dax s VAL 94 Ca 0.04 1.37 -0.01 0.00 0.00 0.00 0.00 61.98 63.38 2dax s VAL 94 Cb -0.22 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 2dax s VAL 94 CO -0.02 0.23 0.01 -0.13 0.00 0.00 0.00 175.10 175.20 2dax s ARG 95 N -0.39 0.22 -0.29 2.72 1.81 0.53 -4.97 118.95 118.59 2dax s ARG 95 Ca 0.51 -0.33 -0.17 0.00 -1.72 0.00 0.00 55.73 54.03 2dax s ARG 95 Cb -0.32 0.09 0.18 0.00 -0.45 0.00 0.00 34.95 34.44 2dax s ARG 95 CO 0.37 -0.04 1.14 0.45 -0.68 0.00 0.00 175.30 176.54 2dax s SER 96 N -0.87 -0.27 0.46 0.23 0.15 -1.26 -1.78 113.70 110.35 2dax s SER 96 Ca -0.10 0.45 0.39 0.00 0.70 0.00 0.00 55.95 57.39 2dax s SER 96 Cb -0.06 1.04 1.46 0.00 -1.71 0.00 0.00 66.02 66.75 2dax s SER 96 CO -0.00 -0.07 1.38 0.55 1.20 0.00 0.00 173.24 176.29 2dax n VAL 97 N 3.21 -0.07 0.24 4.45 3.14 -1.26 0.58 118.33 128.62 2dax n VAL 97 Ca -0.17 1.41 -0.14 0.00 -2.96 0.00 0.00 64.34 62.48 2dax n VAL 97 Cb 0.57 -2.33 -0.07 0.00 -1.06 0.00 0.00 33.84 30.95 2dax n VAL 97 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2dax h LEU 98 N 0.00 -0.55 -9.35 6.55 3.38 -1.94 -3.42 115.31 109.98 2dax h LEU 98 Ca 0.81 -0.08 -0.55 0.00 0.09 0.00 0.00 57.88 58.16 2dax h LEU 98 Cb 3.07 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 43.94 2dax h LEU 98 CO -0.14 -0.18 0.69 -0.76 0.09 0.00 0.00 178.44 178.14 2dax s LEU 99 N -9.52 4.30 0.00 1.67 1.43 0.20 -4.94 118.68 111.82 2dax s LEU 99 Ca -0.14 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.83 2dax s LEU 99 Cb 0.02 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.68 2dax s LEU 99 CO 0.48 -0.58 0.00 -1.20 0.23 0.00 0.00 176.35 175.28 2dax n SER 100 N 5.00 0.00 0.00 2.29 7.64 -1.26 -4.35 113.62 122.94 2dax n SER 100 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2dax n SER 100 Cb 0.46 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2dax n SER 100 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2dax n ARG 101 N -1.84 0.00 0.12 1.43 3.00 -1.26 -4.66 116.66 113.46 2dax n ARG 101 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.72 2dax n ARG 101 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.39 2dax n ARG 101 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2dax h SER 102 N 0.00 -1.03 -0.24 0.55 0.02 -1.98 0.52 113.55 111.39 2dax h SER 102 Ca 0.00 0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.11 2dax h SER 102 Cb 0.00 0.37 -0.08 0.00 0.14 0.00 0.00 62.40 62.83 2dax h SER 102 CO 0.00 -0.41 -0.38 1.56 -1.14 0.00 0.00 176.83 176.46 2dax h GLN 103 N -0.57 -0.38 0.10 3.45 7.50 -1.91 0.24 115.11 123.53 2dax h GLN 103 Ca -0.02 0.03 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 2dax h GLN 103 Cb 0.54 0.09 -0.00 0.00 0.05 0.00 0.00 27.48 28.15 2dax h GLN 103 CO -0.14 -0.25 -0.09 0.37 -1.50 0.00 0.00 178.83 177.22 2dax h GLN 104 N -0.39 -0.18 -0.89 1.46 5.75 -1.78 -0.91 115.11 118.17 2dax h GLN 104 Ca 0.11 0.01 0.21 0.00 -0.15 0.00 0.00 58.65 58.83 2dax h GLN 104 Cb 0.58 0.04 -0.17 0.00 1.07 0.00 0.00 27.48 29.01 2dax h GLN 104 CO -0.46 -0.12 -0.10 1.15 -2.65 0.00 0.00 178.83 176.66 2dax h THR 105 N -0.19 0.13 -0.75 2.39 2.02 0.16 1.02 112.91 117.70 2dax h THR 105 Ca -0.01 -0.01 0.06 0.00 0.77 0.00 0.00 66.41 67.22 2dax h THR 105 Cb 0.16 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 66.62 2dax h THR 105 CO -0.01 0.01 0.49 -0.61 0.37 0.00 0.00 175.52 175.77 2dax h GLN 106 N 0.03 0.77 0.18 6.66 5.75 -0.32 0.16 115.11 128.34 2dax h GLN 106 Ca 0.48 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.92 2dax h GLN 106 Cb 0.85 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.22 2dax h GLN 106 CO -0.87 0.51 -0.09 1.25 -2.65 0.00 0.00 178.83 176.99 2dax h LEU 107 N 0.80 -0.20 -0.49 -2.39 6.46 0.24 -3.22 115.31 116.50 2dax h LEU 107 Ca 0.32 -0.31 0.07 0.00 -0.12 0.00 0.00 57.88 57.84 2dax h LEU 107 Cb 0.24 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.17 2dax h LEU 107 CO -0.11 0.35 0.15 0.78 -0.62 0.00 0.00 178.44 178.99 2dax h ASN 108 N -0.91 0.11 -0.92 1.25 2.35 -0.58 0.20 115.58 117.08 2dax h ASN 108 Ca -0.02 0.07 0.24 0.00 -0.55 0.00 0.00 56.30 56.03 2dax h ASN 108 Cb 0.50 0.07 -0.13 0.00 0.05 0.00 0.00 38.32 38.81 2dax h ASN 108 CO 0.04 0.09 0.41 0.74 -1.65 0.00 0.00 177.43 177.06 2dax h THR 109 N 0.31 0.43 0.00 2.81 2.02 -0.79 -2.06 112.91 115.62 2dax h THR 109 Ca 0.24 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 2dax h THR 109 Cb 0.28 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2dax h THR 109 CO -0.27 0.07 -0.09 0.44 0.37 0.00 0.00 175.52 176.04 2dax h ASP 110 N 0.37 0.00 -0.69 4.18 5.19 -1.30 -3.14 116.42 121.03 2dax h ASP 110 Ca 0.59 -0.59 0.13 0.00 -0.62 0.00 0.00 57.03 56.54 2dax h ASP 110 Cb 1.17 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.56 2dax h ASP 110 CO -0.56 0.85 -0.21 -0.11 -3.12 0.00 0.00 179.24 176.09 2dax n LEU 111 N -4.66 -0.33 0.10 1.55 7.94 0.60 0.36 117.00 122.56 2dax n LEU 111 Ca -0.08 1.19 -0.13 0.00 -1.11 0.00 0.00 56.01 55.89 2dax n LEU 111 Cb 0.32 -0.32 -0.08 0.00 0.53 0.00 0.00 43.42 43.86 2dax n LEU 111 CO 0.20 -1.12 0.59 0.74 -1.11 0.00 0.00 177.39 176.70 2dax h THR 112 N 0.00 0.88 -0.63 1.96 2.02 -1.54 -3.22 112.91 112.38 2dax h THR 112 Ca 0.29 -0.68 0.13 0.00 0.77 0.00 0.00 66.41 66.92 2dax h THR 112 Cb 0.47 1.27 -0.12 0.00 -1.74 0.00 0.00 68.15 68.03 2dax h THR 112 CO -0.70 0.15 -0.17 0.00 0.37 0.00 0.00 175.52 175.17 2dax h ALA 113 N 0.06 0.40 -0.80 6.16 0.00 -0.04 -0.11 119.26 124.93 2dax h ALA 113 Ca -0.03 0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.21 2dax h ALA 113 Cb 0.45 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 18.63 2dax h ALA 113 CO 0.05 -0.43 -0.55 0.35 0.00 0.00 0.00 179.25 178.66 2dax h PHE 114 N -0.01 -1.72 0.44 0.00 3.57 -0.63 -1.21 116.94 117.38 2dax h PHE 114 Ca 0.30 0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.89 2dax h PHE 114 Cb 0.47 0.86 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2dax h PHE 114 CO -0.52 -0.41 -0.21 -0.07 -2.23 0.00 0.00 178.31 174.86 2dax h LEU 115 N -0.13 -0.50 -0.72 0.59 3.38 -1.38 0.92 115.31 117.47 2dax h LEU 115 Ca 0.15 -0.07 0.17 0.00 0.09 0.00 0.00 57.88 58.22 2dax h LEU 115 Cb 0.49 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.23 2dax h LEU 115 CO -0.83 -0.23 -0.10 0.00 0.09 0.00 0.00 178.44 177.38 2dax n GLN 116 N -5.27 -0.06 -0.03 1.13 6.02 -0.14 0.12 117.38 119.14 2dax n GLN 116 Ca -0.11 1.11 -0.01 0.00 -0.01 0.00 0.00 57.00 57.98 2dax n GLN 116 Cb 0.29 -1.70 -0.00 0.00 1.02 0.00 0.00 30.24 29.85 2dax n GLN 116 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2dax h LYS 117 N 0.00 0.00 -0.50 -1.09 3.64 -1.17 -3.35 116.57 114.10 2dax h LYS 117 Ca 0.39 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.82 2dax h LYS 117 Cb 0.69 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.43 2dax h LYS 117 CO -0.72 0.00 -0.47 0.45 -2.27 0.00 0.00 179.45 176.44 2dax h HIS 118 N -0.56 -1.48 -3.11 1.91 3.86 -0.04 -3.38 115.15 112.35 2dax h HIS 118 Ca 0.00 0.08 -0.62 0.00 -1.16 0.00 0.00 60.37 58.67 2dax h HIS 118 Cb 0.06 0.71 -0.36 0.00 1.06 0.00 0.00 27.41 28.89 2dax h HIS 118 CO -0.03 -0.38 -0.84 0.00 0.86 0.00 0.00 177.93 177.55 2dax s HIS 120 N 1.40 1.80 0.00 0.00 5.04 -1.26 -3.73 115.29 118.54 2dax s HIS 120 Ca 0.04 -2.50 0.00 0.00 -1.54 0.00 0.00 55.06 51.06 2dax s HIS 120 Cb -0.13 -1.52 0.00 0.00 0.04 0.00 0.00 32.58 30.97 2dax s HIS 120 CO -0.11 -0.75 0.00 0.41 -2.34 0.00 0.00 174.74 171.95 2dax n GLY 121 N 2.91 0.77 3.79 1.59 0.00 -1.26 -5.13 105.19 107.86 2dax n GLY 121 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.02 0.04 -0.65 1.61 1.11 -1.26 -4.94 116.67 111.56 2dax s ASP 122 Ca 0.00 -1.14 -0.05 0.00 0.18 0.00 0.00 52.55 51.53 2dax s ASP 122 Cb 0.00 0.84 0.17 0.00 1.07 0.00 0.00 42.92 45.00 2dax s ASP 122 CO 0.00 -1.66 0.50 0.68 1.18 0.00 0.00 175.17 175.86 2dax s VAL 123 N -2.41 4.12 -0.40 -1.27 -7.23 -1.26 -4.70 120.40 107.26 2dax s VAL 123 Ca 0.16 -2.77 0.01 0.00 -1.81 0.00 0.00 61.98 57.57 2dax s VAL 123 Cb -0.05 -3.65 0.14 0.00 0.56 0.00 0.00 36.38 33.38 2dax s VAL 123 CO 0.12 -0.90 0.23 0.00 -0.31 0.00 0.00 175.10 174.23 2dax h ILE 125 N 5.13 1.54 -0.74 0.00 1.08 -1.97 -3.36 117.51 119.18 2dax h ILE 125 Ca 0.03 -2.32 0.17 0.00 -0.39 0.00 0.00 64.86 62.35 2dax h ILE 125 Cb 0.95 3.07 -0.13 0.00 -3.07 0.00 0.00 36.82 37.64 2dax h ILE 125 CO 0.37 0.54 0.04 -0.07 -0.69 0.00 0.00 178.15 178.35 2dax h LEU 126 N -0.95 -0.27 -1.17 1.44 3.38 -1.98 0.17 115.31 115.94 2dax h LEU 126 Ca -0.10 0.18 0.43 0.00 0.09 0.00 0.00 57.88 58.48 2dax h LEU 126 Cb 1.13 0.31 -0.16 0.00 0.09 0.00 0.00 40.66 42.03 2dax h LEU 126 CO -0.05 -0.15 0.68 -1.13 0.09 0.00 0.00 178.44 177.89 2dax h ASN 127 N 0.13 0.29 0.25 -0.43 -1.24 -1.99 0.32 115.58 112.91 2dax h ASN 127 Ca 0.41 0.21 -0.01 0.00 0.71 0.00 0.00 56.30 57.62 2dax h ASN 127 Cb 0.72 0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.98 2dax h ASN 127 CO -0.62 -0.33 -0.12 0.00 -1.29 0.00 0.00 177.43 175.06 2dax h ALA 128 N 1.82 -0.34 -0.59 1.57 0.00 -0.85 -2.84 119.26 118.04 2dax h ALA 128 Ca 0.85 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.73 2dax h ALA 128 Cb 2.43 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 20.32 2dax h ALA 128 CO -0.63 -0.47 0.46 1.79 0.00 0.00 0.00 179.25 180.41 2dax h THR 129 N -0.78 0.59 0.00 0.00 1.35 -0.41 0.64 112.91 114.29 2dax h THR 129 Ca -0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.82 2dax h THR 129 Cb 0.51 0.67 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 2dax h THR 129 CO 0.06 0.00 -0.04 -0.33 -0.25 0.00 0.00 175.52 174.96 2dax h GLU 130 N 0.00 0.00 0.00 4.72 4.39 -1.03 -2.17 114.58 120.49 2dax h GLU 130 Ca 0.28 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.72 2dax h GLU 130 Cb 1.20 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.80 2dax h GLU 130 CO -0.00 0.04 -1.74 1.87 -1.16 0.00 0.00 179.01 178.02 2dax n TRP 131 N -3.12 0.80 -0.07 4.33 -0.00 0.20 -4.23 117.44 115.36 2dax n TRP 131 Ca 0.03 0.28 -0.13 0.00 -0.00 0.00 0.00 57.50 57.68 2dax n TRP 131 Cb 0.50 -1.10 -0.12 0.00 -0.00 0.00 0.00 31.31 30.58 2dax n TRP 131 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2dax h VAL 132 N 0.00 1.71 -1.41 5.87 2.07 -1.03 -2.06 116.25 121.39 2dax h VAL 132 Ca -0.28 -2.27 0.41 0.00 0.82 0.00 0.00 66.70 65.37 2dax h VAL 132 Cb 1.89 3.22 -0.06 0.00 -1.52 0.00 0.00 31.29 34.82 2dax h VAL 132 CO 0.06 0.58 1.08 0.08 0.02 0.00 0.00 177.57 179.38 2dax h ARG 133 N -1.00 0.00 0.00 1.57 0.11 -1.59 0.56 114.38 114.03 2dax h ARG 133 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2dax h ARG 133 Cb 0.95 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 2dax h ARG 133 CO 0.00 0.00 -0.14 -1.91 0.10 0.00 0.00 179.97 178.02 2dax n GLU 134 N -3.96 0.10 -0.26 0.08 0.00 -1.24 -4.45 120.64 110.92 2dax n GLU 134 Ca 0.31 0.21 0.04 0.00 0.00 0.00 0.00 57.16 57.72 2dax n GLU 134 Cb 1.52 -0.85 0.13 0.00 0.00 0.00 0.00 31.44 32.24 2dax n GLU 134 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2dax h HIS 135 N -0.20 -0.19 0.00 4.31 3.86 -1.06 -2.66 115.15 119.21 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 0.14 0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.81 2dax h HIS 135 CO -0.06 -0.28 0.00 0.00 0.86 0.00 0.00 177.93 178.45 2dax n ALA 136 N -3.06 0.00 -0.27 2.45 0.00 0.19 0.16 120.51 119.99 2dax n ALA 136 Ca 0.12 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.83 2dax n ALA 136 Cb 0.44 0.31 0.49 0.00 0.00 0.00 0.00 19.45 20.69 2dax n ALA 136 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dax n SER 137 N -2.40 0.28 0.42 0.00 7.64 -1.00 -0.06 113.62 118.49 2dax n SER 137 Ca 0.00 1.40 -0.19 0.00 1.01 0.00 0.00 58.87 61.09 2dax n SER 137 Cb 0.00 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 62.43 2dax n SER 137 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2dax h GLY 138 N 0.00 -1.30 0.83 0.23 0.00 0.15 -2.62 103.07 100.37 2dax h GLY 138 Ca 0.71 0.53 0.04 0.00 0.00 0.00 0.00 47.33 48.61 2dax h GLY 138 CO -0.66 -0.44 0.57 -0.97 0.00 0.00 0.00 176.54 175.04 2dax h TYR 139 N -1.17 1.06 -0.18 5.60 0.05 -0.14 -1.54 116.97 120.65 2dax h TYR 139 Ca -0.10 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.60 2dax h TYR 139 Cb 0.94 -0.35 -0.05 0.00 1.01 0.00 0.00 36.73 38.27 2dax h TYR 139 CO -0.11 0.59 0.14 1.33 -1.05 0.00 0.00 178.16 179.06 2dax n VAL 140 N -4.55 1.80 -2.64 -2.88 0.24 -0.41 -4.87 118.33 105.02 2dax n VAL 140 Ca 0.12 -0.61 -0.43 0.00 -2.04 0.00 0.00 64.34 61.38 2dax n VAL 140 Cb 0.12 -1.14 -0.02 0.00 -1.47 0.00 0.00 33.84 31.33 2dax n VAL 140 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2dax s SER 141 N 0.90 6.89 -0.07 -1.34 0.15 -0.58 -4.56 113.70 115.09 2dax s SER 141 Ca 0.11 0.98 -0.30 0.00 0.70 0.00 0.00 55.95 57.44 2dax s SER 141 Cb 0.09 -2.54 0.10 0.00 -1.71 0.00 0.00 66.02 61.96 2dax s SER 141 CO 0.01 -0.92 0.84 -0.13 1.20 0.00 0.00 173.24 174.24 2dax s ARG 142 N 3.74 0.84 -0.69 5.44 0.52 -1.26 -5.05 118.95 122.48 2dax s ARG 142 Ca 0.46 0.07 -0.01 0.00 -0.52 0.00 0.00 55.73 55.72 2dax s ARG 142 Cb -0.12 0.39 0.42 0.00 0.52 0.00 0.00 34.95 36.17 2dax s ARG 142 CO 0.17 -0.29 1.97 -0.25 0.02 0.00 0.00 175.30 176.93 2dax n ASP 143 N 0.56 7.46 -4.73 0.23 8.00 -1.26 -4.34 116.55 122.47 2dax n ASP 143 Ca -0.13 -3.80 -0.37 0.00 0.71 0.00 0.00 54.79 51.20 2dax n ASP 143 Cb 0.59 -0.96 0.07 0.00 -0.02 0.00 0.00 41.12 40.79 2dax n ASP 143 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2dax s THR 144 N -4.90 2.10 0.15 -3.53 -4.23 -1.26 -5.03 115.64 98.94 2dax s THR 144 Ca 0.60 0.06 -0.22 0.00 -1.18 0.00 0.00 61.69 60.96 2dax s THR 144 Cb 0.48 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 71.39 2dax s THR 144 CO -0.12 -0.01 0.56 -0.94 -0.54 0.00 0.00 174.62 173.56 2dax s SER 145 N -1.46 -0.50 -0.03 3.99 1.04 -1.26 -4.84 113.70 110.64 2dax s SER 145 Ca 0.82 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 57.21 2dax s SER 145 Cb -0.36 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2dax s SER 145 CO 0.40 -0.95 -0.11 -0.94 0.98 0.00 0.00 173.24 172.62 2dax s SER 146 N -2.76 1.37 -0.29 7.02 1.04 -1.26 -5.13 113.70 113.69 2dax s SER 146 Ca 0.01 -0.22 -0.24 0.00 0.48 0.00 0.00 55.95 55.98 2dax s SER 146 Cb -0.00 -0.35 0.15 0.00 0.10 0.00 0.00 66.02 65.92 2dax s SER 146 CO -0.13 0.09 1.19 -0.55 0.98 0.00 0.00 173.24 174.81 2dax s SER 147 N 0.12 -0.30 0.00 7.02 0.15 -1.26 -5.15 113.70 114.28 2dax s SER 147 Ca -0.02 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.20 2dax s SER 147 Cb -0.09 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2dax s SER 147 CO 0.01 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.96 2dax n GLY 148 N 2.07 0.90 0.00 9.45 0.00 -1.26 -4.81 105.19 111.53 2dax n GLY 148 Ca -0.12 -1.83 0.06 0.00 0.00 0.00 0.00 46.02 44.13 2dax n GLY 148 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dax n PRO 149 N 0.00 0.48 -0.75 1.61 -0.04 -1.26 -4.85 135.00 130.19 2dax n PRO 149 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 2dax n PRO 149 Cb 0.00 -1.39 0.11 0.00 -0.04 0.00 0.00 33.50 32.18 2dax n PRO 149 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dax n SER 150 N -0.89 -2.68 -4.58 3.54 7.64 -1.26 -4.95 113.62 110.44 2dax n SER 150 Ca 0.09 -0.13 -0.29 0.00 1.01 0.00 0.00 58.87 59.55 2dax n SER 150 Cb 0.04 -0.72 0.16 0.00 -1.01 0.00 0.00 64.21 62.67 2dax n SER 150 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dax s SER 151 N -1.52 3.07 0.00 6.43 0.15 -1.26 -5.15 113.70 115.42 2dax s SER 151 Ca 0.40 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.90 2dax s SER 151 Cb -0.02 -1.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 2dax s SER 151 CO 0.54 -2.81 0.00 0.61 1.20 0.00 0.00 173.24 172.77