#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 7.39 0.09 1.61 0.01 -1.26 -5.05 113.70 116.49 2dax s SER 2 Ca 0.00 1.77 0.07 0.00 1.31 0.00 0.00 55.95 59.09 2dax s SER 2 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 2dax s SER 2 CO 0.00 -0.20 -0.10 -0.55 0.41 0.00 0.00 173.24 172.80 2dax s SER 3 N 0.55 4.40 0.14 2.44 0.15 -1.26 -5.05 113.70 115.08 2dax s SER 3 Ca 0.50 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2dax s SER 3 Cb -0.23 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.22 2dax s SER 3 CO 0.29 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.54 2dax n GLY 4 N 0.87 0.53 3.67 9.45 0.00 -1.26 -4.66 105.19 113.78 2dax n GLY 4 Ca -0.14 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 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 -4.00 5.12 1.02 1.61 0.01 -1.26 -5.09 113.70 111.10 2dax s SER 5 Ca 0.00 0.08 -0.20 0.00 1.31 0.00 0.00 55.95 57.14 2dax s SER 5 Cb 0.00 -1.39 -0.06 0.00 0.21 0.00 0.00 66.02 64.77 2dax s SER 5 CO 0.00 0.35 -0.59 -0.24 0.41 0.00 0.00 173.24 173.17 2dax n SER 6 N 1.97 -3.47 -3.84 2.44 2.88 -1.26 -3.48 113.62 108.85 2dax n SER 6 Ca -0.17 0.08 -0.36 0.00 -1.33 0.00 0.00 58.87 57.09 2dax n SER 6 Cb 0.53 -0.82 0.03 0.00 -0.75 0.00 0.00 64.21 63.20 2dax n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dax n GLY 7 N 2.74 -0.87 0.28 0.46 0.00 -1.26 -4.84 105.19 101.70 2dax n GLY 7 Ca 0.00 0.39 0.03 0.00 0.00 0.00 0.00 46.02 46.44 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 -2.14 0.42 -0.30 1.61 -0.00 -2.00 -2.85 114.58 109.32 2dax h GLU 8 Ca -0.68 -0.06 0.07 0.00 -0.00 0.00 0.00 59.36 58.69 2dax h GLU 8 Cb 1.38 -0.08 -0.07 0.00 -0.00 0.00 0.00 28.75 29.98 2dax h GLU 8 CO 0.51 0.39 -0.15 0.37 -0.00 0.00 0.00 179.01 180.13 2dax h GLN 9 N 0.41 -0.11 -0.87 1.06 4.15 -1.91 0.55 115.11 118.40 2dax h GLN 9 Ca 0.10 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.57 2dax h GLN 9 Cb 0.17 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.83 2dax h GLN 9 CO -0.00 -0.07 0.57 0.00 -1.93 0.00 0.00 178.83 177.40 2dax h ALA 10 N 1.12 1.49 0.00 3.38 0.00 -1.83 -1.40 119.26 122.03 2dax h ALA 10 Ca 0.16 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 2dax h ALA 10 Cb 0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2dax h ALA 10 CO -0.37 0.40 -0.72 0.93 0.00 0.00 0.00 179.25 179.49 2dax h GLU 11 N 1.04 0.00 -0.60 0.00 5.08 -1.15 -2.65 114.58 116.31 2dax h GLU 11 Ca 0.36 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.69 2dax h GLU 11 Cb 0.10 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2dax h GLU 11 CO -0.12 0.72 0.26 0.00 -1.00 0.00 0.00 179.01 178.87 2dax h ALA 12 N 1.28 1.34 0.03 3.43 0.00 0.12 -1.42 119.26 124.03 2dax h ALA 12 Ca -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2dax h ALA 12 Cb 1.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2dax h ALA 12 CO 0.09 0.50 -0.01 1.96 0.00 0.00 0.00 179.25 181.80 2dax h GLN 13 N 0.85 -0.03 -0.65 0.00 4.20 -1.45 -3.33 115.11 114.70 2dax h GLN 13 Ca 0.21 0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.03 2dax h GLN 13 Cb 0.13 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 27.80 2dax h GLN 13 CO -0.02 -0.02 -0.32 1.25 -0.67 0.00 0.00 178.83 179.04 2dax h LEU 14 N -1.00 -1.13 -1.00 1.46 5.85 -1.52 -1.25 115.31 116.72 2dax h LEU 14 Ca -0.00 0.23 0.11 0.00 0.84 0.00 0.00 57.88 59.06 2dax h LEU 14 Cb 0.03 0.58 -0.13 0.00 0.37 0.00 0.00 40.66 41.50 2dax h LEU 14 CO 0.01 -0.30 -0.54 0.00 -0.34 0.00 0.00 178.44 177.27 2dax n ALA 15 N -3.19 -0.50 0.10 1.25 0.00 -0.54 -0.98 120.51 116.65 2dax n ALA 15 Ca 0.05 0.89 -0.09 0.00 0.00 0.00 0.00 53.44 54.29 2dax n ALA 15 Cb 0.36 -0.22 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.43 -0.94 0.00 4.81 -1.34 -1.99 114.58 114.70 2dax h GLU 16 Ca 0.21 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.62 2dax h GLU 16 Cb 0.46 0.10 -0.16 0.00 0.63 0.00 0.00 28.75 29.78 2dax h GLU 16 CO -0.95 -0.28 -0.33 1.28 -0.73 0.00 0.00 179.01 177.99 2dax n LEU 17 N -3.96 -0.54 -0.35 1.64 4.77 -0.70 0.17 117.00 118.03 2dax n LEU 17 Ca -0.05 1.63 0.10 0.00 -0.03 0.00 0.00 56.01 57.66 2dax n LEU 17 Cb 0.22 -0.40 0.29 0.00 -2.33 0.00 0.00 43.42 41.20 2dax n LEU 17 CO 0.10 -1.49 1.22 -0.78 -1.33 0.00 0.00 177.39 175.12 2dax h ASP 18 N 0.00 0.84 0.40 -1.43 1.82 -0.71 -2.26 116.42 115.08 2dax h ASP 18 Ca 0.36 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 57.04 2dax h ASP 18 Cb 0.59 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.50 2dax h ASP 18 CO -0.94 0.40 -0.19 0.25 -1.61 0.00 0.00 179.24 177.15 2dax h LEU 19 N 0.87 -0.45 -0.96 2.28 5.85 0.25 -3.31 115.31 119.84 2dax h LEU 19 Ca 0.52 -0.11 0.11 0.00 0.84 0.00 0.00 57.88 59.24 2dax h LEU 19 Cb 0.67 0.12 -0.13 0.00 0.37 0.00 0.00 40.66 41.68 2dax h LEU 19 CO -0.29 -0.03 -0.50 -0.07 -0.34 0.00 0.00 178.44 177.21 2dax h LEU 20 N -1.00 -1.83 -0.79 2.25 3.38 -0.55 0.51 115.31 117.28 2dax h LEU 20 Ca -0.05 0.32 0.31 0.00 0.09 0.00 0.00 57.88 58.54 2dax h LEU 20 Cb 0.54 0.86 -0.14 0.00 0.09 0.00 0.00 40.66 42.00 2dax h LEU 20 CO 0.09 -0.26 0.35 0.00 0.09 0.00 0.00 178.44 178.71 2dax n ALA 21 N -3.33 0.74 -0.01 1.53 0.00 -0.88 0.16 120.51 118.72 2dax n ALA 21 Ca 0.05 0.81 -0.17 0.00 0.00 0.00 0.00 53.44 54.13 2dax n ALA 21 Cb 0.32 -0.77 -0.11 0.00 0.00 0.00 0.00 19.45 18.90 2dax n ALA 21 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dax h SER 22 N 0.00 0.46 -0.53 0.00 0.87 -0.12 -3.18 113.55 111.06 2dax h SER 22 Ca 0.64 -0.74 0.15 0.00 -1.23 0.00 0.00 61.79 60.61 2dax h SER 22 Cb 1.63 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.43 2dax h SER 22 CO -0.63 1.14 0.57 0.24 -0.53 0.00 0.00 176.83 177.62 2dax h MET 23 N -0.17 0.00 -3.03 2.24 2.07 0.21 -3.03 114.93 113.21 2dax h MET 23 Ca -0.06 0.00 -0.62 0.00 -2.07 0.00 0.00 59.70 56.95 2dax h MET 23 Cb 1.20 0.00 -0.41 0.00 -1.87 0.00 0.00 31.60 30.52 2dax h MET 23 CO 0.10 0.00 -0.62 -0.06 1.07 0.00 0.00 176.91 177.40 2dax s PHE 24 N -4.60 3.26 0.21 -0.22 0.40 -0.65 -4.92 117.98 111.47 2dax s PHE 24 Ca -0.04 -3.21 0.25 0.00 -0.60 0.00 0.00 56.93 53.33 2dax s PHE 24 Cb 0.16 -2.52 1.04 0.00 0.51 0.00 0.00 43.02 42.21 2dax s PHE 24 CO 0.55 -0.59 1.88 -1.00 0.70 0.00 0.00 175.22 176.76 2dax h PRO 25 N 5.53 0.00 -6.53 0.24 0.13 -1.68 -3.45 132.00 126.24 2dax h PRO 25 Ca 0.14 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.77 2dax h PRO 25 Cb 0.78 0.00 0.23 0.00 0.13 0.00 0.00 31.00 32.15 2dax h PRO 25 CO 0.68 0.21 -1.26 0.41 -0.23 0.00 0.00 178.00 177.80 2dax n GLY 26 N -0.06 -2.69 0.10 1.56 0.00 -1.26 -4.94 105.19 97.91 2dax n GLY 26 Ca -0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 2dax n GLY 26 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dax n GLU 27 N -0.73 0.68 -2.23 1.61 0.28 -1.26 -4.33 120.64 114.66 2dax n GLU 27 Ca 0.02 0.27 -0.27 0.00 -0.16 0.00 0.00 57.16 57.02 2dax n GLU 27 Cb 0.61 -1.75 0.01 0.00 1.43 0.00 0.00 31.44 31.74 2dax n GLU 27 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2dax n ASN 28 N -3.19 5.13 -0.09 -1.84 3.02 -1.26 -4.68 115.26 112.35 2dax n ASN 28 Ca -0.23 -3.74 -0.13 0.00 -0.03 0.00 0.00 54.58 50.44 2dax n ASN 28 Cb 1.05 -0.49 -0.08 0.00 -0.61 0.00 0.00 39.78 39.66 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 -0.58 0.43 -3.77 3.52 -0.58 -1.26 -4.66 120.64 113.73 2dax n GLU 29 Ca 0.43 0.11 -0.14 0.00 -0.42 0.00 0.00 57.16 57.15 2dax n GLU 29 Cb 0.74 -1.32 -0.15 0.00 -0.57 0.00 0.00 31.44 30.14 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 -6.19 0.95 -0.05 -4.62 0.20 -1.26 0.15 118.68 107.86 2dax s LEU 30 Ca -0.24 0.23 0.01 0.00 0.69 0.00 0.00 54.13 54.82 2dax s LEU 30 Cb 0.07 0.27 0.02 0.00 -0.43 0.00 0.00 46.19 46.11 2dax s LEU 30 CO 0.39 -0.13 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.64 2dax s ILE 31 N 0.96 0.66 -0.23 6.68 1.09 0.37 -4.97 121.20 125.77 2dax s ILE 31 Ca -0.08 -0.20 -0.06 0.00 -1.10 0.00 0.00 60.65 59.22 2dax s ILE 31 Cb -0.10 -0.66 -0.02 0.00 -1.06 0.00 0.00 42.46 40.62 2dax s ILE 31 CO -0.04 0.25 0.02 0.54 -0.10 0.00 0.00 174.94 175.61 2dax s VAL 32 N 0.85 3.98 -0.03 2.92 0.11 -1.26 -0.06 120.40 126.89 2dax s VAL 32 Ca -0.12 -0.29 -0.12 0.00 -2.93 0.00 0.00 61.98 58.52 2dax s VAL 32 Cb -0.15 -2.83 -0.32 0.00 -1.53 0.00 0.00 36.38 31.56 2dax s VAL 32 CO 0.01 0.39 0.73 0.78 -3.33 0.00 0.00 175.10 173.67 2dax h ASN 33 N 7.98 0.66 -2.86 3.54 4.21 -1.93 -3.40 115.58 123.78 2dax h ASN 33 Ca -0.38 -0.93 -0.77 0.00 1.21 0.00 0.00 56.30 55.43 2dax h ASN 33 Cb 1.17 -0.21 -0.23 0.00 -1.12 0.00 0.00 38.32 37.92 2dax h ASN 33 CO 0.59 1.77 0.92 -0.67 -1.29 0.00 0.00 177.43 178.75 2dax n ASP 34 N -3.61 5.44 0.04 5.81 2.03 -1.05 -4.79 116.55 120.41 2dax n ASP 34 Ca -0.23 -3.04 -0.17 0.00 0.52 0.00 0.00 54.79 51.86 2dax n ASP 34 Cb 1.08 -1.46 -0.08 0.00 -0.72 0.00 0.00 41.12 39.95 2dax n ASP 34 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2dax h GLN 35 N 6.73 0.62 -0.86 -0.67 5.75 -1.85 -3.26 115.11 121.57 2dax h GLN 35 Ca 0.25 -0.64 0.20 0.00 -0.15 0.00 0.00 58.65 58.31 2dax h GLN 35 Cb 0.85 0.17 -0.12 0.00 1.07 0.00 0.00 27.48 29.45 2dax h GLN 35 CO 1.16 1.24 0.35 1.25 -2.65 0.00 0.00 178.83 180.18 2dax h LEU 36 N 0.37 0.28 -0.48 -2.39 5.85 -1.98 -1.09 115.31 115.88 2dax h LEU 36 Ca -0.10 0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.86 2dax h LEU 36 Cb 1.60 0.13 -0.10 0.00 0.37 0.00 0.00 40.66 42.67 2dax h LEU 36 CO 0.18 0.02 -0.33 0.00 -0.34 0.00 0.00 178.44 177.97 2dax h ALA 37 N 1.67 -0.12 -0.08 1.25 0.00 -1.84 -1.38 119.26 118.77 2dax h ALA 37 Ca 0.52 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.59 2dax h ALA 37 Cb 0.94 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 2dax h ALA 37 CO -0.51 -0.70 -0.12 0.28 0.00 0.00 0.00 179.25 178.20 2dax h VAL 38 N -0.21 0.68 -0.83 0.00 2.07 -1.37 -2.04 116.25 114.55 2dax h VAL 38 Ca 0.20 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.92 2dax h VAL 38 Cb 0.54 0.68 -0.13 0.00 -1.52 0.00 0.00 31.29 30.87 2dax h VAL 38 CO -0.59 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.24 2dax h ALA 39 N 0.88 1.18 -0.31 1.67 0.00 -1.01 0.43 119.26 122.11 2dax h ALA 39 Ca 0.07 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2dax h ALA 39 Cb 0.26 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2dax h ALA 39 CO -0.17 -0.39 -0.10 0.93 0.00 0.00 0.00 179.25 179.51 2dax h GLU 40 N 0.27 0.52 0.00 0.00 4.39 -0.67 -0.94 114.58 118.16 2dax h GLU 40 Ca 0.50 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.99 2dax h GLU 40 Cb 0.94 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2dax h GLU 40 CO -0.58 0.62 -0.33 1.25 -1.16 0.00 0.00 179.01 178.81 2dax h LEU 41 N 0.48 0.00 0.14 1.33 5.85 0.45 0.30 115.31 123.86 2dax h LEU 41 Ca 0.09 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.50 2dax h LEU 41 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2dax h LEU 41 CO 0.03 0.33 -1.52 0.11 -0.34 0.00 0.00 178.44 177.05 2dax h LYS 42 N 0.00 0.29 0.03 1.25 1.57 -0.47 -3.31 116.57 115.93 2dax h LYS 42 Ca -0.00 -0.50 -0.19 0.00 -1.87 0.00 0.00 60.65 58.09 2dax h LYS 42 Cb 0.83 0.19 0.02 0.00 0.08 0.00 0.00 32.23 33.34 2dax h LYS 42 CO 0.04 1.18 -0.75 0.22 -0.57 0.00 0.00 179.45 179.57 2dax h ASP 43 N 0.08 0.61 -1.01 0.86 1.82 -1.11 -3.21 116.42 114.46 2dax h ASP 43 Ca -0.24 -0.79 0.23 0.00 -0.39 0.00 0.00 57.03 55.84 2dax h ASP 43 Cb 2.03 -0.19 -0.11 0.00 0.68 0.00 0.00 39.33 41.74 2dax h ASP 43 CO 0.18 1.33 0.61 0.00 -1.61 0.00 0.00 179.24 179.75 2dax h ILE 45 N 0.62 1.18 0.09 0.00 2.04 -1.65 0.34 117.51 120.13 2dax h ILE 45 Ca 0.61 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2dax h ILE 45 Cb 1.15 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 2dax h ILE 45 CO -0.41 0.17 -0.09 -0.33 0.00 0.00 0.00 178.15 177.49 2dax h GLU 46 N -0.34 -0.19 0.00 2.37 4.39 -1.18 -1.84 114.58 117.78 2dax h GLU 46 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2dax h GLU 46 Cb 0.32 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2dax h GLU 46 CO 0.01 -0.13 0.00 0.87 -1.16 0.00 0.00 179.01 178.60 2dax h LYS 47 N -0.20 0.00 -6.69 2.33 1.57 -0.89 -3.46 116.57 109.22 2dax h LYS 47 Ca 0.01 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.25 2dax h LYS 47 Cb 0.20 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.34 2dax h LYS 47 CO -0.03 0.00 -0.85 1.63 -0.57 0.00 0.00 179.45 179.63 2dax n LYS 48 N -2.85 -3.20 0.00 3.15 5.02 0.12 -4.81 118.16 115.59 2dax n LYS 48 Ca 0.01 0.38 0.01 0.00 -2.02 0.00 0.00 58.31 56.69 2dax n LYS 48 Cb 0.30 -4.93 -0.01 0.00 -0.02 0.00 0.00 35.03 30.37 2dax n LYS 48 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2dax n THR 49 N -4.41 0.00 -4.44 -0.18 5.66 -1.18 -5.01 114.28 104.73 2dax n THR 49 Ca -0.03 -0.46 -0.38 0.00 -3.05 0.00 0.00 64.05 60.13 2dax n THR 49 Cb 0.54 1.00 -0.08 0.00 -1.55 0.00 0.00 70.33 70.25 2dax n THR 49 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2dax n MET 50 N -0.94 -1.02 -3.59 1.09 2.81 -1.25 -4.88 117.12 109.33 2dax n MET 50 Ca 0.00 0.15 -0.29 0.00 -1.81 0.00 0.00 57.70 55.75 2dax n MET 50 Cb 0.03 -4.37 -0.12 0.00 -0.71 0.00 0.00 33.22 28.05 2dax n MET 50 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2dax s GLU 51 N -7.26 1.08 0.00 0.03 2.02 -1.26 -4.89 118.70 108.43 2dax s GLU 51 Ca 0.54 -1.93 0.00 0.00 0.02 0.00 0.00 54.97 53.60 2dax s GLU 51 Cb -0.31 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 31.99 2dax s GLU 51 CO 1.01 -1.23 0.00 0.41 0.02 0.00 0.00 175.26 175.47 2dax n GLY 52 N 3.43 -1.74 3.14 -1.39 0.00 -1.26 -5.03 105.19 102.34 2dax n GLY 52 Ca 0.15 0.59 -0.39 0.00 0.00 0.00 0.00 46.02 46.36 2dax n GLY 52 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dax n ARG 53 N 0.00 0.00 -0.00 1.61 1.85 -1.26 -4.68 116.66 114.17 2dax n ARG 53 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.89 2dax n ARG 53 Cb 0.00 -1.36 -0.06 0.00 -1.05 0.00 0.00 32.46 30.00 2dax n ARG 53 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2dax n SER 54 N 9.19 1.76 -4.32 2.89 2.88 -1.26 -5.00 113.62 119.76 2dax n SER 54 Ca 0.59 -0.34 -0.28 0.00 -1.33 0.00 0.00 58.87 57.51 2dax n SER 54 Cb 0.02 1.20 -0.14 0.00 -0.75 0.00 0.00 64.21 64.54 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 -2.39 2.93 0.32 -3.46 0.01 -1.26 -5.13 113.70 104.72 2dax s SER 55 Ca -0.00 -0.62 -0.24 0.00 1.31 0.00 0.00 55.95 56.39 2dax s SER 55 Cb 0.06 -0.23 -0.10 0.00 0.21 0.00 0.00 66.02 65.96 2dax s SER 55 CO 0.34 0.18 0.90 -0.54 0.41 0.00 0.00 173.24 174.54 2dax s LYS 56 N -1.52 4.48 -0.69 12.44 1.02 -1.26 -4.70 119.74 129.51 2dax s LYS 56 Ca 0.10 1.21 -0.26 0.00 0.02 0.00 0.00 55.97 57.05 2dax s LYS 56 Cb -0.10 -2.74 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 2dax s LYS 56 CO 0.03 0.27 1.90 0.08 -0.92 0.00 0.00 175.35 176.71 2dax s VAL 57 N -1.67 3.37 -0.22 3.17 1.01 -1.20 -4.83 120.40 120.04 2dax s VAL 57 Ca 0.50 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 2dax s VAL 57 Cb -0.17 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2dax s VAL 57 CO 0.22 -0.89 0.13 -0.47 0.00 0.00 0.00 175.10 174.08 2dax s TYR 58 N 9.49 3.30 -0.21 5.22 5.04 -1.26 -2.02 117.35 136.91 2dax s TYR 58 Ca 0.69 0.17 -0.13 0.00 -2.44 0.00 0.00 57.07 55.35 2dax s TYR 58 Cb -0.11 -2.21 0.06 0.00 0.35 0.00 0.00 41.96 40.05 2dax s TYR 58 CO 0.15 0.09 0.51 -0.59 -1.34 0.00 0.00 175.55 174.37 2dax s PHE 59 N 0.84 -0.72 0.09 4.97 -0.71 -0.82 -2.53 117.98 119.08 2dax s PHE 59 Ca 0.07 1.55 -0.04 0.00 -1.04 0.00 0.00 56.93 57.47 2dax s PHE 59 Cb -0.13 0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 41.98 2dax s PHE 59 CO 0.02 -0.38 0.30 0.99 -1.34 0.00 0.00 175.22 174.81 2dax s THR 60 N 1.20 5.27 -0.18 -4.49 2.01 0.91 -1.48 115.64 118.88 2dax s THR 60 Ca -0.07 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.86 2dax s THR 60 Cb -0.06 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.87 2dax s THR 60 CO -0.12 0.14 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.20 2dax s ILE 61 N -1.53 1.71 -0.34 1.82 1.01 -0.94 -0.48 121.20 122.46 2dax s ILE 61 Ca 0.36 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 59.90 2dax s ILE 61 Cb -0.13 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 2dax s ILE 61 CO 0.24 0.29 0.53 0.20 0.00 0.00 0.00 174.94 176.20 2dax s ASN 62 N 1.39 6.35 -0.16 3.58 0.01 0.39 -1.69 114.94 124.82 2dax s ASN 62 Ca 0.01 0.09 0.01 0.00 -0.71 0.00 0.00 52.86 52.25 2dax s ASN 62 Cb -0.15 -2.28 0.01 0.00 0.41 0.00 0.00 41.25 39.24 2dax s ASN 62 CO -0.09 -0.46 -0.18 -0.04 -1.51 0.00 0.00 177.10 174.81 2dax s MET 63 N 2.43 3.11 -0.37 -0.60 -1.94 -0.95 -4.37 119.30 116.60 2dax s MET 63 Ca 0.20 -0.79 -0.24 0.00 -1.71 0.00 0.00 55.69 53.15 2dax s MET 63 Cb -0.15 -2.58 0.01 0.00 2.01 0.00 0.00 34.83 34.12 2dax s MET 63 CO 0.13 -0.06 0.80 0.54 -0.01 0.00 0.00 175.02 176.42 2dax s ASN 64 N 0.97 6.56 0.09 3.03 4.22 -1.26 -1.76 114.94 126.78 2dax s ASN 64 Ca -0.03 0.34 -0.04 0.00 -2.14 0.00 0.00 52.86 51.00 2dax s ASN 64 Cb -0.15 -2.41 -0.03 0.00 1.28 0.00 0.00 41.25 39.95 2dax s ASN 64 CO -0.04 -0.77 0.07 -0.76 -2.04 0.00 0.00 177.10 173.57 2dax s LEU 65 N 3.18 1.91 0.12 3.54 1.43 -0.97 -4.97 118.68 122.91 2dax s LEU 65 Ca 0.32 -0.96 -0.09 0.00 -1.03 0.00 0.00 54.13 52.37 2dax s LEU 65 Cb -0.13 0.52 -0.06 0.00 0.03 0.00 0.00 46.19 46.55 2dax s LEU 65 CO 0.18 -0.69 0.42 1.51 0.23 0.00 0.00 176.35 177.99 2dax s ASP 66 N -2.94 6.60 -0.03 2.29 -4.77 -1.26 -1.15 116.67 115.41 2dax s ASP 66 Ca 0.12 0.76 -0.03 0.00 -3.30 0.00 0.00 52.55 50.11 2dax s ASP 66 Cb 0.07 -2.16 -0.02 0.00 -1.09 0.00 0.00 42.92 39.71 2dax s ASP 66 CO -0.06 0.10 -0.06 1.33 0.70 0.00 0.00 175.17 177.18 2dax n VAL 67 N 0.53 0.44 -3.85 2.11 0.24 -1.16 -4.64 118.33 112.01 2dax n VAL 67 Ca -0.05 0.01 -0.04 0.00 -2.04 0.00 0.00 64.34 62.22 2dax n VAL 67 Cb 0.52 -1.59 0.02 0.00 -1.47 0.00 0.00 33.84 31.32 2dax n VAL 67 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2dax n SER 68 N -3.29 -1.79 -4.28 -1.34 7.64 -1.26 -4.81 113.62 104.49 2dax n SER 68 Ca -0.08 -2.02 -0.37 0.00 1.01 0.00 0.00 58.87 57.41 2dax n SER 68 Cb 0.48 2.93 -0.04 0.00 -1.01 0.00 0.00 64.21 66.57 2dax n SER 68 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2dax n ASP 69 N -1.33 -2.61 -3.62 6.43 8.00 -1.26 0.11 116.55 122.27 2dax n ASP 69 Ca -0.04 -1.07 -0.24 0.00 0.71 0.00 0.00 54.79 54.15 2dax n ASP 69 Cb 0.56 -2.48 -0.04 0.00 -0.02 0.00 0.00 41.12 39.14 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 -4.33 -1.98 -4.19 -1.24 0.00 -1.26 -4.90 120.64 102.74 2dax n GLU 70 Ca 0.04 0.15 -0.23 0.00 0.00 0.00 0.00 57.16 57.11 2dax n GLU 70 Cb 0.50 -4.72 -0.07 0.00 0.00 0.00 0.00 31.44 27.15 2dax n GLU 70 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2dax s LYS 71 N -6.24 2.28 0.24 3.44 -0.14 0.12 -5.07 119.74 114.37 2dax s LYS 71 Ca 0.47 -1.58 0.10 0.00 -1.36 0.00 0.00 55.97 53.60 2dax s LYS 71 Cb -0.27 -2.11 -0.05 0.00 -1.68 0.00 0.00 37.83 33.73 2dax s LYS 71 CO 0.57 0.16 -0.18 -1.64 -0.76 0.00 0.00 175.35 173.50 2dax s MET 72 N -3.78 1.52 0.12 1.68 -1.94 -1.26 -2.98 119.30 112.66 2dax s MET 72 Ca 0.36 -1.67 -0.18 0.00 -1.71 0.00 0.00 55.69 52.49 2dax s MET 72 Cb -0.02 -1.53 0.04 0.00 2.01 0.00 0.00 34.83 35.33 2dax s MET 72 CO 0.21 0.28 0.44 0.00 -0.01 0.00 0.00 175.02 175.95 2dax s ALA 73 N -2.58 -1.07 0.05 3.03 0.00 -0.30 -4.95 121.76 115.93 2dax s ALA 73 Ca 0.26 0.10 -0.15 0.00 0.00 0.00 0.00 51.96 52.16 2dax s ALA 73 Cb -0.04 0.70 -0.06 0.00 0.00 0.00 0.00 23.12 23.72 2dax s ALA 73 CO 0.11 -0.65 0.47 1.41 0.00 0.00 0.00 175.76 177.10 2dax s MET 74 N -3.67 3.99 -0.26 0.00 1.75 -1.26 -2.29 119.30 117.57 2dax s MET 74 Ca 0.02 0.49 0.03 0.00 -1.25 0.00 0.00 55.69 54.98 2dax s MET 74 Cb 0.01 -3.16 0.06 0.00 2.84 0.00 0.00 34.83 34.58 2dax s MET 74 CO -0.11 0.64 -0.10 -0.06 -0.65 0.00 0.00 175.02 174.73 2dax s PHE 75 N -1.17 3.18 -0.20 4.11 0.40 -0.72 -4.83 117.98 118.76 2dax s PHE 75 Ca 0.28 -2.27 -0.24 0.00 -0.60 0.00 0.00 56.93 54.10 2dax s PHE 75 Cb -0.17 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 2dax s PHE 75 CO 0.16 -0.87 0.77 -1.12 0.70 0.00 0.00 175.22 174.86 2dax s SER 76 N 1.13 6.85 -0.53 1.36 0.01 -0.76 -2.24 113.70 119.51 2dax s SER 76 Ca -0.09 1.04 -0.01 0.00 1.31 0.00 0.00 55.95 58.21 2dax s SER 76 Cb -0.20 -2.42 0.14 0.00 0.21 0.00 0.00 66.02 63.75 2dax s SER 76 CO -0.05 -0.39 0.31 -0.76 0.41 0.00 0.00 173.24 172.76 2dax s LEU 77 N 2.25 5.01 -0.83 2.44 1.02 -0.68 -0.17 118.68 127.71 2dax s LEU 77 Ca 0.35 -2.63 -0.25 0.00 0.02 0.00 0.00 54.13 51.61 2dax s LEU 77 Cb -0.16 -1.78 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 2dax s LEU 77 CO 0.11 -0.38 1.79 0.00 0.02 0.00 0.00 176.35 177.89 2dax s ALA 78 N 0.26 2.05 -0.08 4.21 0.00 -0.58 -2.20 121.76 125.41 2dax s ALA 78 Ca 0.14 -1.40 -0.16 0.00 0.00 0.00 0.00 51.96 50.54 2dax s ALA 78 Cb -0.22 -4.46 -0.05 0.00 0.00 0.00 0.00 23.12 18.39 2dax s ALA 78 CO -0.03 -4.27 0.43 0.00 0.00 0.00 0.00 175.76 171.89 2dax s ILE 80 N -0.01 1.20 -0.39 0.00 1.01 -1.26 -1.95 121.20 119.80 2dax s ILE 80 Ca 0.24 -0.44 -0.16 0.00 0.00 0.00 0.00 60.65 60.29 2dax s ILE 80 Cb -0.15 -1.15 0.01 0.00 0.01 0.00 0.00 42.46 41.18 2dax s ILE 80 CO 0.10 0.39 0.39 -0.76 0.00 0.00 0.00 174.94 175.06 2dax s LEU 81 N 1.30 4.77 0.00 2.97 1.43 -0.86 -1.67 118.68 126.63 2dax s LEU 81 Ca -0.02 -0.58 -0.20 0.00 -1.03 0.00 0.00 54.13 52.30 2dax s LEU 81 Cb -0.14 -2.33 0.30 0.00 0.03 0.00 0.00 46.19 44.05 2dax s LEU 81 CO -0.05 -0.48 1.06 -0.81 0.23 0.00 0.00 176.35 176.30 2dax n PRO 82 N 5.45 -3.08 -0.61 1.29 -0.04 -1.26 -3.22 135.00 133.53 2dax n PRO 82 Ca -0.09 -1.69 -0.08 0.00 -0.04 0.00 0.00 63.50 61.60 2dax n PRO 82 Cb 0.48 -1.59 0.13 0.00 -0.04 0.00 0.00 33.50 32.48 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 -4.79 1.50 0.00 0.54 3.72 -1.26 -3.96 117.46 113.21 2dax n PHE 83 Ca 0.15 -1.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.55 2dax n PHE 83 Cb 0.57 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.19 0.00 -0.78 -1.08 5.02 -1.26 -5.06 118.16 114.81 2dax n LYS 84 Ca 0.27 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.30 2dax n LYS 84 Cb 1.03 -0.72 -0.02 0.00 -0.02 0.00 0.00 35.03 35.31 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 -2.44 -0.37 0.56 2.13 9.36 -1.24 -0.74 117.16 124.41 2dax n TYR 85 Ca 0.00 0.52 0.07 0.00 3.32 0.00 0.00 57.90 61.81 2dax n TYR 85 Cb 0.37 -1.09 0.33 0.00 -0.63 0.00 0.00 39.34 38.32 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 0.58 0.07 0.00 2.98 -0.04 -1.26 -4.74 135.00 132.59 2dax n PRO 86 Ca 0.10 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 2dax n PRO 86 Cb 0.15 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.43 0.00 -2.93 0.55 0.00 0.08 -4.20 120.51 112.57 2dax n ALA 87 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 2dax n ALA 87 Cb 0.15 0.25 -0.12 0.00 0.00 0.00 0.00 19.45 19.73 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 3.88 0.72 0.00 -7.23 -1.26 -4.69 120.40 109.49 2dax s VAL 88 Ca 0.00 -0.36 -0.16 0.00 -1.81 0.00 0.00 61.98 59.64 2dax s VAL 88 Cb 0.00 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 2dax s VAL 88 CO 0.00 0.50 0.52 0.18 -0.31 0.00 0.00 175.10 176.00 2dax n LEU 89 N 3.42 0.80 -4.60 1.32 4.77 -1.26 -3.71 117.00 117.74 2dax n LEU 89 Ca -0.17 0.59 -0.30 0.00 -0.03 0.00 0.00 56.01 56.10 2dax n LEU 89 Cb 0.53 -1.21 0.23 0.00 -2.33 0.00 0.00 43.42 40.64 2dax n LEU 89 CO 0.32 -3.12 0.62 -2.16 -1.33 0.00 0.00 177.39 171.72 2dax s PRO 90 N -2.73 -1.04 -0.79 3.23 0.04 -1.26 -4.85 135.00 127.60 2dax s PRO 90 Ca 0.65 0.00 0.01 0.00 0.04 0.00 0.00 61.00 61.71 2dax s PRO 90 Cb -0.35 -1.61 0.35 0.00 0.04 0.00 0.00 34.50 32.93 2dax s PRO 90 CO 0.58 -3.60 1.59 0.39 0.04 0.00 0.00 177.00 176.00 2dax n GLU 91 N -4.70 3.89 -1.65 4.56 1.02 -0.67 -4.93 120.64 118.16 2dax n GLU 91 Ca 0.12 -4.34 -0.42 0.00 -0.02 0.00 0.00 57.16 52.49 2dax n GLU 91 Cb 0.59 -2.33 -0.03 0.00 -0.02 0.00 0.00 31.44 29.65 2dax n GLU 91 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2dax n ILE 92 N -0.31 0.69 -4.03 -3.67 5.41 -1.26 -4.16 119.36 112.04 2dax n ILE 92 Ca 0.45 -0.20 -0.31 0.00 1.00 0.00 0.00 62.75 63.68 2dax n ILE 92 Cb 0.34 -2.36 -0.15 0.00 -0.71 0.00 0.00 39.64 36.76 2dax n ILE 92 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2dax s THR 93 N 5.19 2.23 0.16 1.39 2.01 0.36 -4.89 115.64 122.08 2dax s THR 93 Ca 0.91 -2.12 -0.30 0.00 0.31 0.00 0.00 61.69 60.50 2dax s THR 93 Cb -0.42 -2.55 -0.07 0.00 0.01 0.00 0.00 72.50 69.47 2dax s THR 93 CO 0.41 -0.43 1.06 -0.69 -0.69 0.00 0.00 174.62 174.29 2dax s VAL 94 N 0.97 4.05 -0.02 3.82 1.01 -1.26 -1.53 120.40 127.44 2dax s VAL 94 Ca 0.05 1.74 -0.03 0.00 0.00 0.00 0.00 61.98 63.74 2dax s VAL 94 Cb -0.19 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.08 2dax s VAL 94 CO -0.07 0.29 0.08 -0.13 0.00 0.00 0.00 175.10 175.27 2dax s ARG 95 N -0.22 0.16 -0.30 2.72 1.81 0.76 -4.89 118.95 118.99 2dax s ARG 95 Ca 0.49 0.00 -0.14 0.00 -1.72 0.00 0.00 55.73 54.37 2dax s ARG 95 Cb -0.28 0.07 0.15 0.00 -0.45 0.00 0.00 34.95 34.44 2dax s ARG 95 CO 0.33 -0.03 0.88 0.45 -0.68 0.00 0.00 175.30 176.25 2dax s SER 96 N -0.23 -0.75 0.55 0.23 0.15 -1.26 -1.83 113.70 110.55 2dax s SER 96 Ca -0.03 1.05 0.46 0.00 0.70 0.00 0.00 55.95 58.13 2dax s SER 96 Cb -0.02 1.77 1.58 0.00 -1.71 0.00 0.00 66.02 67.64 2dax s SER 96 CO 0.00 -0.15 1.49 1.33 1.20 0.00 0.00 173.24 177.11 2dax n VAL 97 N 4.91 0.00 0.32 4.45 0.24 -1.26 0.35 118.33 127.34 2dax n VAL 97 Ca -0.12 1.43 -0.17 0.00 -2.04 0.00 0.00 64.34 63.44 2dax n VAL 97 Cb 0.53 -2.40 -0.09 0.00 -1.47 0.00 0.00 33.84 30.41 2dax n VAL 97 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2dax h LEU 98 N 0.00 -0.65 -9.76 1.34 4.07 -1.95 -3.42 115.31 104.94 2dax h LEU 98 Ca 0.86 0.01 -0.52 0.00 0.08 0.00 0.00 57.88 58.31 2dax h LEU 98 Cb 3.59 0.17 0.03 0.00 1.08 0.00 0.00 40.66 45.53 2dax h LEU 98 CO -0.01 -0.44 0.57 -0.76 -1.08 0.00 0.00 178.44 176.72 2dax s LEU 99 N -10.01 4.47 0.83 1.67 1.43 0.15 -4.89 118.68 112.34 2dax s LEU 99 Ca -0.17 2.38 -0.08 0.00 -1.03 0.00 0.00 54.13 55.23 2dax s LEU 99 Cb 0.03 -3.62 0.16 0.00 0.03 0.00 0.00 46.19 42.79 2dax s LEU 99 CO 0.61 -0.37 1.15 -0.94 0.23 0.00 0.00 176.35 177.03 2dax s SER 100 N -0.28 3.79 0.13 2.29 1.04 -1.26 -4.72 113.70 114.69 2dax s SER 100 Ca 0.50 -0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.70 2dax s SER 100 Cb -0.35 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.57 2dax s SER 100 CO 0.42 -2.26 1.74 -0.09 0.98 0.00 0.00 173.24 174.03 2dax h ARG 101 N -1.05 0.16 0.51 4.02 1.12 -1.97 0.80 114.38 117.97 2dax h ARG 101 Ca -0.40 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.43 2dax h ARG 101 Cb 1.25 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.18 2dax h ARG 101 CO 0.40 0.11 -0.24 0.77 -3.11 0.00 0.00 179.97 177.89 2dax h SER 102 N 0.17 -0.58 -0.00 -3.80 0.02 -2.00 -2.56 113.55 104.79 2dax h SER 102 Ca 0.11 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2dax h SER 102 Cb 0.09 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 2dax h SER 102 CO -0.12 -0.39 -0.15 1.56 -1.14 0.00 0.00 176.83 176.58 2dax h GLN 103 N -0.72 -0.18 -0.72 3.45 1.08 -1.94 -2.06 115.11 114.02 2dax h GLN 103 Ca -0.07 0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.29 2dax h GLN 103 Cb 0.52 0.04 -0.14 0.00 -0.05 0.00 0.00 27.48 27.86 2dax h GLN 103 CO 0.11 -0.12 -0.18 0.94 -0.95 0.00 0.00 178.83 178.64 2dax n GLN 104 N -3.34 -0.07 0.06 1.46 -0.06 0.27 -0.30 117.38 115.41 2dax n GLN 104 Ca -0.02 1.13 -0.09 0.00 -2.00 0.00 0.00 57.00 56.01 2dax n GLN 104 Cb 0.11 -1.69 -0.06 0.00 -4.06 0.00 0.00 30.24 24.55 2dax n GLN 104 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 2dax h THR 105 N 0.00 0.00 -0.62 1.69 2.02 -0.94 -0.83 112.91 114.22 2dax h THR 105 Ca 0.35 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.65 2dax h THR 105 Cb 0.53 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.85 2dax h THR 105 CO -0.74 0.00 0.12 -0.61 0.37 0.00 0.00 175.52 174.65 2dax h GLN 106 N -0.42 0.23 -0.01 6.66 5.75 -0.36 -1.90 115.11 125.06 2dax h GLN 106 Ca -0.00 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.50 2dax h GLN 106 Cb 0.43 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.88 2dax h GLN 106 CO -0.17 0.15 -0.46 1.25 -2.65 0.00 0.00 178.83 176.95 2dax h LEU 107 N 0.24 -1.42 -0.01 -2.39 6.46 -0.58 -2.13 115.31 115.48 2dax h LEU 107 Ca 0.33 0.16 0.02 0.00 -0.12 0.00 0.00 57.88 58.27 2dax h LEU 107 Cb 0.52 0.54 -0.05 0.00 -0.73 0.00 0.00 40.66 40.93 2dax h LEU 107 CO -0.44 -0.45 -0.51 0.78 -0.62 0.00 0.00 178.44 177.21 2dax h ASN 108 N -0.57 -1.58 -1.28 1.25 2.35 -0.69 0.08 115.58 115.15 2dax h ASN 108 Ca 0.01 0.18 0.46 0.00 -0.55 0.00 0.00 56.30 56.39 2dax h ASN 108 Cb 0.61 0.60 -0.14 0.00 0.05 0.00 0.00 38.32 39.44 2dax h ASN 108 CO -0.31 -0.49 0.80 0.41 -1.65 0.00 0.00 177.43 176.18 2dax n THR 109 N -5.29 -0.28 0.02 2.81 -1.04 -0.76 -0.41 114.28 109.33 2dax n THR 109 Ca -0.07 1.80 -0.06 0.00 -2.04 0.00 0.00 64.05 63.68 2dax n THR 109 Cb 0.37 -2.95 -0.05 0.00 -1.82 0.00 0.00 70.33 65.88 2dax n THR 109 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2dax h ASP 110 N 0.00 -0.13 -0.87 8.00 5.19 -0.38 -3.16 116.42 125.07 2dax h ASP 110 Ca 0.85 -0.25 0.32 0.00 -0.62 0.00 0.00 57.03 57.34 2dax h ASP 110 Cb 2.66 0.03 -0.16 0.00 0.18 0.00 0.00 39.33 42.05 2dax h ASP 110 CO -0.51 0.45 0.29 -0.11 -3.12 0.00 0.00 179.24 176.24 2dax n LEU 111 N -4.85 0.14 0.07 1.55 7.94 0.45 0.72 117.00 123.02 2dax n LEU 111 Ca -0.05 1.47 -0.13 0.00 -1.11 0.00 0.00 56.01 56.19 2dax n LEU 111 Cb 0.18 -0.64 -0.08 0.00 0.53 0.00 0.00 43.42 43.41 2dax n LEU 111 CO 0.15 -1.58 0.66 0.74 -1.11 0.00 0.00 177.39 176.25 2dax h THR 112 N 0.00 1.01 -0.53 1.96 2.02 -1.48 -3.20 112.91 112.69 2dax h THR 112 Ca 0.66 -0.62 0.11 0.00 0.77 0.00 0.00 66.41 67.32 2dax h THR 112 Cb 1.61 1.40 -0.10 0.00 -1.74 0.00 0.00 68.15 69.32 2dax h THR 112 CO -0.73 0.15 -0.15 0.00 0.37 0.00 0.00 175.52 175.15 2dax h ALA 113 N 0.34 0.32 -0.80 6.16 0.00 0.33 -2.17 119.26 123.44 2dax h ALA 113 Ca -0.02 0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.17 2dax h ALA 113 Cb 0.38 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 2dax h ALA 113 CO 0.03 -0.46 -0.47 0.34 0.00 0.00 0.00 179.25 178.70 2dax n PHE 114 N -5.39 -0.34 0.37 0.00 7.35 -0.60 -1.02 117.46 117.84 2dax n PHE 114 Ca 0.05 1.00 -0.17 0.00 -0.76 0.00 0.00 57.45 57.57 2dax n PHE 114 Cb 0.29 -0.57 -0.09 0.00 0.35 0.00 0.00 39.48 39.46 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 -0.80 -1.11 -2.13 3.38 -1.51 0.18 115.31 113.32 2dax h LEU 115 Ca 0.13 0.00 0.37 0.00 0.09 0.00 0.00 57.88 58.48 2dax h LEU 115 Cb 0.33 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.19 2dax h LEU 115 CO -0.76 -0.51 0.74 0.00 0.09 0.00 0.00 178.44 178.00 2dax n GLN 116 N -5.46 -0.02 -0.04 1.13 6.02 -0.19 0.70 117.38 119.52 2dax n GLN 116 Ca -0.13 0.91 -0.03 0.00 -0.01 0.00 0.00 57.00 57.74 2dax n GLN 116 Cb 0.39 -1.85 -0.01 0.00 1.02 0.00 0.00 30.24 29.78 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 -4.05 0.26 0.19 -1.09 0.00 -0.54 -4.54 118.16 108.39 2dax n LYS 117 Ca 0.31 0.30 -0.07 0.00 0.00 0.00 0.00 58.31 58.84 2dax n LYS 117 Cb 1.24 -1.17 -0.04 0.00 0.00 0.00 0.00 35.03 35.06 2dax n LYS 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2dax h HIS 118 N -0.54 -0.45 -3.30 5.64 3.86 0.50 -3.40 115.15 117.47 2dax h HIS 118 Ca 0.00 -0.01 -0.72 0.00 -1.16 0.00 0.00 60.37 58.48 2dax h HIS 118 Cb 0.36 0.15 -0.21 0.00 1.06 0.00 0.00 27.41 28.77 2dax h HIS 118 CO -0.16 -0.28 -0.20 0.00 0.86 0.00 0.00 177.93 178.16 2dax s HIS 120 N 2.00 0.95 0.00 0.00 5.04 -1.22 -3.25 115.29 118.80 2dax s HIS 120 Ca 0.08 -0.76 0.00 0.00 -1.54 0.00 0.00 55.06 52.85 2dax s HIS 120 Cb -0.22 -0.99 0.00 0.00 0.04 0.00 0.00 32.58 31.41 2dax s HIS 120 CO 0.09 -0.57 0.00 0.41 -2.34 0.00 0.00 174.74 172.32 2dax n GLY 121 N 5.07 0.92 3.50 1.59 0.00 -1.26 -5.08 105.19 109.92 2dax n GLY 121 Ca -0.09 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.72 -0.11 -0.95 1.61 1.11 -1.26 -4.93 116.67 109.42 2dax s ASP 122 Ca 0.00 -0.76 -0.14 0.00 0.18 0.00 0.00 52.55 51.83 2dax s ASP 122 Cb 0.00 0.54 0.21 0.00 1.07 0.00 0.00 42.92 44.74 2dax s ASP 122 CO 0.00 -1.04 0.98 0.68 1.18 0.00 0.00 175.17 176.97 2dax s VAL 123 N -3.95 5.48 -0.39 -1.27 -7.23 -1.26 -4.81 120.40 106.97 2dax s VAL 123 Ca 0.16 -2.53 0.01 0.00 -1.81 0.00 0.00 61.98 57.81 2dax s VAL 123 Cb 0.00 -4.60 0.13 0.00 0.56 0.00 0.00 36.38 32.47 2dax s VAL 123 CO 0.02 -1.21 0.20 0.00 -0.31 0.00 0.00 175.10 173.80 2dax h ILE 125 N 5.51 0.27 0.05 0.00 1.08 -2.01 -3.38 117.51 119.03 2dax h ILE 125 Ca -0.03 -1.52 -0.00 0.00 -0.39 0.00 0.00 64.86 62.92 2dax h ILE 125 Cb 0.96 1.81 0.00 0.00 -3.07 0.00 0.00 36.82 36.52 2dax h ILE 125 CO 0.43 0.15 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.95 2dax h LEU 126 N 0.00 -0.06 -1.61 1.44 3.38 -2.01 -3.19 115.31 113.27 2dax h LEU 126 Ca -0.08 -0.56 0.47 0.00 0.09 0.00 0.00 57.88 57.80 2dax h LEU 126 Cb 1.29 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 2dax h LEU 126 CO 0.02 0.57 1.19 0.59 0.09 0.00 0.00 178.44 180.90 2dax n ASN 127 N -4.82 0.00 0.02 -0.43 4.13 -1.26 0.01 115.26 112.91 2dax n ASN 127 Ca -0.08 0.82 -0.02 0.00 1.68 0.00 0.00 54.58 56.97 2dax n ASN 127 Cb 0.30 -0.40 -0.01 0.00 -1.54 0.00 0.00 39.78 38.13 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 0.80 -0.17 -1.53 5.41 0.00 -1.77 -3.01 119.26 118.99 2dax h ALA 128 Ca 0.76 -0.03 0.46 0.00 0.00 0.00 0.00 54.91 56.10 2dax h ALA 128 Cb 3.13 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 20.89 2dax h ALA 128 CO -0.01 -0.16 1.06 1.79 0.00 0.00 0.00 179.25 181.93 2dax h THR 129 N -0.85 0.16 -0.06 0.00 1.35 -0.47 1.28 112.91 114.33 2dax h THR 129 Ca -0.02 -0.02 -0.23 0.00 -0.55 0.00 0.00 66.41 65.60 2dax h THR 129 Cb 0.11 0.11 0.01 0.00 -1.73 0.00 0.00 68.15 66.65 2dax h THR 129 CO 0.02 0.01 -0.88 -0.33 -0.25 0.00 0.00 175.52 174.09 2dax h GLU 130 N 0.05 0.60 0.00 4.72 4.39 -1.45 -2.68 114.58 120.21 2dax h GLU 130 Ca 0.80 -0.57 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 2dax h GLU 130 Cb 2.92 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 31.71 2dax h GLU 130 CO -0.17 1.18 -0.01 2.35 -1.16 0.00 0.00 179.01 181.21 2dax h TRP 131 N 0.37 0.00 0.00 4.33 7.01 0.17 -3.26 115.95 124.57 2dax h TRP 131 Ca -0.08 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.92 2dax h TRP 131 Cb 1.51 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.57 2dax h TRP 131 CO 0.08 0.01 -0.01 0.28 -2.79 0.00 0.00 178.44 176.00 2dax h VAL 132 N 0.00 0.00 -1.54 2.65 2.07 -1.00 -2.78 116.25 115.64 2dax h VAL 132 Ca -0.00 -0.27 0.46 0.00 0.82 0.00 0.00 66.70 67.71 2dax h VAL 132 Cb 0.65 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.35 2dax h VAL 132 CO 0.00 0.00 1.09 -2.11 0.02 0.00 0.00 177.57 176.57 2dax n ARG 133 N -2.76 -0.01 -0.03 1.57 1.85 -1.02 0.13 116.66 116.40 2dax n ARG 133 Ca -0.00 0.93 -0.00 0.00 -1.00 0.00 0.00 57.85 57.77 2dax n ARG 133 Cb 0.01 -2.07 -0.00 0.00 -1.05 0.00 0.00 32.46 29.34 2dax n ARG 133 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2dax h GLU 134 N 0.00 -0.02 0.39 2.89 5.08 -1.68 -3.32 114.58 117.92 2dax h GLU 134 Ca 0.77 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 59.11 2dax h GLU 134 Cb 2.98 0.01 0.00 0.00 0.50 0.00 0.00 28.75 32.24 2dax h GLU 134 CO -0.09 -0.02 -0.19 0.45 -1.00 0.00 0.00 179.01 178.17 2dax h HIS 135 N -0.86 -0.48 -0.14 4.33 3.86 -0.20 -3.27 115.15 118.39 2dax h HIS 135 Ca -0.00 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2dax h HIS 135 Cb 0.02 0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 2dax h HIS 135 CO 0.00 -0.18 -0.08 0.00 0.86 0.00 0.00 177.93 178.53 2dax n ALA 136 N -2.47 -0.09 -0.33 2.45 0.00 0.34 0.16 120.51 120.58 2dax n ALA 136 Ca -0.10 0.12 0.26 0.00 0.00 0.00 0.00 53.44 53.72 2dax n ALA 136 Cb 0.28 0.26 0.50 0.00 0.00 0.00 0.00 19.45 20.48 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 0.12 0.03 0.00 0.02 -1.66 0.33 113.55 112.39 2dax h SER 137 Ca 0.02 0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2dax h SER 137 Cb 0.06 0.31 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2dax h SER 137 CO -0.13 -0.38 -0.01 1.23 -1.14 0.00 0.00 176.83 176.39 2dax h GLY 138 N 0.04 -0.04 0.14 -3.77 0.00 0.15 -3.17 103.07 96.41 2dax h GLY 138 Ca 0.77 0.01 0.10 0.00 0.00 0.00 0.00 47.33 48.21 2dax h GLY 138 CO -0.79 -0.01 -0.00 -0.97 0.00 0.00 0.00 176.54 174.76 2dax h TYR 139 N -0.31 -0.04 -2.15 5.60 0.05 0.11 -3.40 116.97 116.83 2dax h TYR 139 Ca -0.00 0.04 -0.59 0.00 0.05 0.00 0.00 58.73 58.22 2dax h TYR 139 Cb 0.29 0.10 0.03 0.00 1.01 0.00 0.00 36.73 38.15 2dax h TYR 139 CO 0.02 -0.12 1.07 0.28 -1.05 0.00 0.00 178.16 178.35 2dax n VAL 140 N -5.24 0.48 -4.07 -2.88 0.31 -0.73 -4.96 118.33 101.25 2dax n VAL 140 Ca 0.06 -0.09 -0.33 0.00 -0.01 0.00 0.00 64.34 63.98 2dax n VAL 140 Cb 0.28 -1.89 -0.15 0.00 -0.91 0.00 0.00 33.84 31.16 2dax n VAL 140 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2dax s SER 141 N 3.45 4.16 -0.13 4.52 0.15 -1.26 -4.88 113.70 119.71 2dax s SER 141 Ca 0.89 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2dax s SER 141 Cb -0.64 -1.55 0.02 0.00 -1.71 0.00 0.00 66.02 62.14 2dax s SER 141 CO 0.47 -0.15 -0.12 -0.60 1.20 0.00 0.00 173.24 174.04 2dax s ARG 142 N 1.17 1.97 -0.53 5.44 6.06 -1.26 -5.08 118.95 126.72 2dax s ARG 142 Ca -0.05 -0.43 0.04 0.00 -2.50 0.00 0.00 55.73 52.78 2dax s ARG 142 Cb -0.18 -1.87 0.14 0.00 0.06 0.00 0.00 34.95 33.10 2dax s ARG 142 CO -0.07 -0.23 0.30 0.34 -2.50 0.00 0.00 175.30 173.15 2dax s ASP 143 N 1.52 4.17 -0.15 -2.12 2.15 -1.26 -4.79 116.67 116.19 2dax s ASP 143 Ca 0.04 -3.09 0.15 0.00 0.43 0.00 0.00 52.55 50.07 2dax s ASP 143 Cb -0.13 -1.46 0.34 0.00 -0.30 0.00 0.00 42.92 41.37 2dax s ASP 143 CO -0.09 -0.21 1.17 1.07 -0.17 0.00 0.00 175.17 176.95 2dax n THR 144 N 2.98 1.75 -3.40 1.71 5.66 -1.26 -4.97 114.28 116.76 2dax n THR 144 Ca 0.09 -2.46 -0.06 0.00 -3.05 0.00 0.00 64.05 58.58 2dax n THR 144 Cb 0.34 -0.09 -0.07 0.00 -1.55 0.00 0.00 70.33 68.96 2dax n THR 144 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2dax s SER 145 N -2.85 -0.32 0.23 1.09 0.15 -1.26 -5.16 113.70 105.59 2dax s SER 145 Ca 0.33 0.63 0.05 0.00 0.70 0.00 0.00 55.95 57.66 2dax s SER 145 Cb 0.31 1.48 -0.03 0.00 -1.71 0.00 0.00 66.02 66.07 2dax s SER 145 CO -0.03 -0.27 0.33 -0.94 1.20 0.00 0.00 173.24 173.53 2dax s SER 146 N 2.65 6.22 0.51 5.45 1.04 -1.26 -5.12 113.70 123.19 2dax s SER 146 Ca 0.10 0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.54 2dax s SER 146 Cb -0.14 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.17 2dax s SER 146 CO -0.16 -0.05 0.77 -0.55 0.98 0.00 0.00 173.24 174.23 2dax s SER 147 N -3.89 5.74 -0.08 7.02 0.15 -1.26 -4.81 113.70 116.57 2dax s SER 147 Ca 0.34 0.49 -0.02 0.00 0.70 0.00 0.00 55.95 57.46 2dax s SER 147 Cb -0.09 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 2dax s SER 147 CO 0.28 -0.86 0.07 0.61 1.20 0.00 0.00 173.24 174.55 2dax n GLY 148 N -2.30 -1.78 3.77 9.45 0.00 -1.26 -5.00 105.19 108.06 2dax n GLY 148 Ca 0.03 0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.92 4.34 -0.14 1.61 0.04 -1.26 -5.03 135.00 133.64 2dax s PRO 149 Ca 0.03 2.01 -0.06 0.00 0.04 0.00 0.00 61.00 63.02 2dax s PRO 149 Cb -0.01 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 2dax s PRO 149 CO 0.16 -0.13 0.07 -1.12 0.04 0.00 0.00 177.00 176.02 2dax s SER 150 N -0.77 5.76 -0.02 6.66 0.01 -1.26 -5.10 113.70 118.98 2dax s SER 150 Ca 0.50 0.22 0.02 0.00 1.31 0.00 0.00 55.95 58.00 2dax s SER 150 Cb -0.35 -1.86 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 2dax s SER 150 CO 0.46 0.30 -0.07 -0.55 0.41 0.00 0.00 173.24 173.79 2dax s SER 151 N -0.40 4.60 0.00 2.44 0.15 -1.26 -5.32 113.70 113.91 2dax s SER 151 Ca 0.10 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2dax s SER 151 Cb -0.12 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 2dax s SER 151 CO 0.02 0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.38