#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 6.39 -0.71 1.61 1.04 -1.26 -5.05 113.70 115.72 2dax s SER 2 Ca 0.00 0.84 -0.06 0.00 0.48 0.00 0.00 55.95 57.21 2dax s SER 2 Cb 0.00 -2.20 0.18 0.00 0.10 0.00 0.00 66.02 64.10 2dax s SER 2 CO 0.00 -0.37 0.57 -0.44 0.98 0.00 0.00 173.24 173.97 2dax s SER 3 N -3.56 5.75 0.06 7.02 0.01 -1.26 -5.03 113.70 116.69 2dax s SER 3 Ca 0.46 -2.87 0.01 0.00 1.31 0.00 0.00 55.95 54.86 2dax s SER 3 Cb -0.10 -1.97 -0.00 0.00 0.21 0.00 0.00 66.02 64.15 2dax s SER 3 CO 0.35 -0.42 0.03 0.61 0.41 0.00 0.00 173.24 174.23 2dax n GLY 4 N 3.55 3.91 3.17 3.44 0.00 -1.26 -5.17 105.19 112.83 2dax n GLY 4 Ca 0.11 -1.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.10 2dax n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dax s SER 5 N -1.40 1.73 0.63 1.61 1.04 -1.26 -5.13 113.70 110.93 2dax s SER 5 Ca 0.05 -0.56 -0.18 0.00 0.48 0.00 0.00 55.95 55.74 2dax s SER 5 Cb 0.00 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 2dax s SER 5 CO 0.03 -0.02 1.13 -0.24 0.98 0.00 0.00 173.24 175.12 2dax n SER 6 N 1.51 1.42 -4.45 7.02 2.88 -1.26 -4.92 113.62 115.83 2dax n SER 6 Ca -0.20 0.81 -0.43 0.00 -1.33 0.00 0.00 58.87 57.72 2dax n SER 6 Cb 0.54 -1.48 -0.04 0.00 -0.75 0.00 0.00 64.21 62.49 2dax n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dax s GLY 7 N -1.34 1.46 0.06 0.46 0.00 -1.26 -4.91 107.32 101.79 2dax s GLY 7 Ca 0.80 -1.97 -0.32 0.00 0.00 0.00 0.00 44.72 43.22 2dax s GLY 7 CO 0.43 2.01 1.55 0.83 0.00 0.00 0.00 173.10 177.93 2dax h GLU 8 N 9.46 -0.89 -0.72 2.90 5.08 -2.00 -3.14 114.58 125.26 2dax h GLU 8 Ca -0.24 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.26 2dax h GLU 8 Cb 1.07 0.20 -0.11 0.00 0.50 0.00 0.00 28.75 30.41 2dax h GLU 8 CO 1.17 -0.58 -0.52 1.96 -1.00 0.00 0.00 179.01 180.04 2dax h GLN 9 N -0.97 -0.17 -1.00 2.33 4.20 -1.92 0.44 115.11 118.02 2dax h GLN 9 Ca -0.09 0.01 0.38 0.00 0.06 0.00 0.00 58.65 59.01 2dax h GLN 9 Cb 0.72 0.04 -0.17 0.00 0.30 0.00 0.00 27.48 28.37 2dax h GLN 9 CO 0.16 -0.11 0.51 0.00 -0.67 0.00 0.00 178.83 178.72 2dax h ALA 10 N 0.46 2.04 -0.01 3.87 0.00 -1.88 0.68 119.26 124.42 2dax h ALA 10 Ca 0.16 0.25 -0.24 0.00 0.00 0.00 0.00 54.91 55.08 2dax h ALA 10 Cb 0.52 0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.63 2dax h ALA 10 CO -0.78 -0.83 -0.92 0.93 0.00 0.00 0.00 179.25 177.65 2dax h GLU 11 N 0.09 0.64 -0.79 0.00 5.08 -0.19 -3.07 114.58 116.35 2dax h GLU 11 Ca 0.80 -0.68 0.17 0.00 -1.00 0.00 0.00 59.36 58.65 2dax h GLU 11 Cb 2.02 0.19 -0.15 0.00 0.50 0.00 0.00 28.75 31.31 2dax h GLU 11 CO -0.73 1.27 -0.11 0.00 -1.00 0.00 0.00 179.01 178.44 2dax h ALA 12 N 0.39 0.65 0.49 3.43 0.00 0.24 0.34 119.26 124.81 2dax h ALA 12 Ca -0.11 0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2dax h ALA 12 Cb 1.59 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.92 2dax h ALA 12 CO 0.18 -0.43 -0.24 1.96 0.00 0.00 0.00 179.25 180.73 2dax h GLN 13 N 0.03 -0.63 -0.37 0.00 4.20 -1.54 -3.18 115.11 113.62 2dax h GLN 13 Ca 0.40 0.04 0.04 0.00 0.06 0.00 0.00 58.65 59.20 2dax h GLN 13 Cb 0.67 0.14 -0.07 0.00 0.30 0.00 0.00 27.48 28.53 2dax h GLN 13 CO -0.77 -0.42 -0.42 1.25 -0.67 0.00 0.00 178.83 177.80 2dax h LEU 14 N -1.04 -1.43 -0.55 1.46 5.85 -1.34 -1.68 115.31 116.58 2dax h LEU 14 Ca -0.07 0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.89 2dax h LEU 14 Cb 0.51 0.59 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 2dax h LEU 14 CO 0.11 -0.28 -0.32 0.00 -0.34 0.00 0.00 178.44 177.60 2dax n ALA 15 N -3.02 -0.35 -0.05 1.25 0.00 0.12 -0.17 120.51 118.29 2dax n ALA 15 Ca -0.02 0.47 -0.10 0.00 0.00 0.00 0.00 53.44 53.79 2dax n ALA 15 Cb 0.25 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.73 0.00 4.81 -1.37 -1.86 114.58 115.09 2dax h GLU 16 Ca 0.09 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.46 2dax h GLU 16 Cb 0.23 0.08 -0.13 0.00 0.63 0.00 0.00 28.75 29.55 2dax h GLU 16 CO -0.52 -0.23 -0.36 -0.07 -0.73 0.00 0.00 179.01 177.11 2dax h LEU 17 N -0.35 -1.27 -0.89 1.64 3.38 0.33 0.45 115.31 118.60 2dax h LEU 17 Ca 0.12 0.26 0.13 0.00 0.09 0.00 0.00 57.88 58.48 2dax h LEU 17 Cb 0.56 0.64 -0.09 0.00 0.09 0.00 0.00 40.66 41.86 2dax h LEU 17 CO -0.44 -0.30 0.51 -0.78 0.09 0.00 0.00 178.44 177.52 2dax h ASP 18 N -0.11 0.69 0.07 -0.43 1.82 -0.42 -2.11 116.42 115.94 2dax h ASP 18 Ca 0.27 0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.98 2dax h ASP 18 Cb 0.57 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.52 2dax h ASP 18 CO -0.79 0.33 -0.03 0.25 -1.61 0.00 0.00 179.24 177.39 2dax h LEU 19 N 0.77 -0.08 -0.60 2.28 5.85 0.37 -3.20 115.31 120.70 2dax h LEU 19 Ca 0.46 -0.27 0.11 0.00 0.84 0.00 0.00 57.88 59.03 2dax h LEU 19 Cb 0.56 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.49 2dax h LEU 19 CO -0.31 0.23 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.69 2dax h LEU 20 N -0.39 -0.91 -0.95 2.25 3.38 -0.03 0.89 115.31 119.55 2dax h LEU 20 Ca -0.01 0.21 0.28 0.00 0.09 0.00 0.00 57.88 58.45 2dax h LEU 20 Cb 0.34 0.49 -0.18 0.00 0.09 0.00 0.00 40.66 41.41 2dax h LEU 20 CO 0.02 -0.27 0.08 0.00 0.09 0.00 0.00 178.44 178.35 2dax n ALA 21 N -3.12 0.54 0.11 1.53 0.00 -0.87 0.94 120.51 119.65 2dax n ALA 21 Ca 0.06 1.02 -0.17 0.00 0.00 0.00 0.00 53.44 54.34 2dax n ALA 21 Cb 0.35 -0.77 -0.14 0.00 0.00 0.00 0.00 19.45 18.89 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 0.50 -0.86 0.00 0.02 -1.01 -3.27 113.55 108.93 2dax h SER 22 Ca 0.61 -0.52 0.19 0.00 -0.84 0.00 0.00 61.79 61.22 2dax h SER 22 Cb 1.30 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.62 2dax h SER 22 CO -0.88 1.40 0.58 0.24 -1.14 0.00 0.00 176.83 177.03 2dax h MET 23 N 0.10 0.36 -3.07 3.45 2.07 0.24 -3.05 114.93 115.04 2dax h MET 23 Ca -0.15 -0.02 -0.70 0.00 -2.07 0.00 0.00 59.70 56.76 2dax h MET 23 Cb 1.98 -0.08 -0.36 0.00 -1.87 0.00 0.00 31.60 31.27 2dax h MET 23 CO 0.21 0.24 -0.06 1.19 1.07 0.00 0.00 176.91 179.57 2dax n PHE 24 N -4.49 3.84 0.11 -0.22 3.01 -0.44 -4.87 117.46 114.41 2dax n PHE 24 Ca 0.18 -3.92 -0.02 0.00 1.01 0.00 0.00 57.45 54.70 2dax n PHE 24 Cb 0.68 -1.05 0.22 0.00 -0.01 0.00 0.00 39.48 39.31 2dax n PHE 24 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2dax h PRO 25 N 5.59 0.17 -5.44 -1.08 0.13 -1.73 -3.43 132.00 126.22 2dax h PRO 25 Ca 0.17 -0.09 -0.54 0.00 -0.87 0.00 0.00 66.00 64.68 2dax h PRO 25 Cb 0.75 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.06 2dax h PRO 25 CO 0.92 0.61 -1.16 0.41 -0.23 0.00 0.00 178.00 178.54 2dax n GLY 26 N -0.09 -3.16 3.71 1.56 0.00 -1.26 -4.82 105.19 101.13 2dax n GLY 26 Ca -0.02 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.07 4.41 -1.37 1.61 2.12 -1.26 -3.31 118.70 119.82 2dax s GLU 27 Ca 0.49 1.74 -0.07 0.00 0.36 0.00 0.00 54.97 57.49 2dax s GLU 27 Cb -0.40 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.61 2dax s GLU 27 CO 0.63 -0.31 1.02 0.09 -0.54 0.00 0.00 175.26 176.15 2dax n ASN 28 N 4.30 -4.37 -0.00 -1.70 3.02 -1.26 -4.95 115.26 110.30 2dax n ASN 28 Ca 0.09 -0.66 -0.00 0.00 -0.03 0.00 0.00 54.58 53.98 2dax n ASN 28 Cb 0.46 -4.58 -0.00 0.00 -0.61 0.00 0.00 39.78 35.05 2dax n ASN 28 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2dax h GLU 29 N -2.27 0.00 -5.59 3.52 4.39 -1.83 -3.44 114.58 109.36 2dax h GLU 29 Ca -0.58 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 58.47 2dax h GLU 29 Cb 1.36 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.88 2dax h GLU 29 CO 0.58 0.00 -0.56 -1.17 -1.16 0.00 0.00 179.01 176.71 2dax s LEU 30 N -4.63 3.91 -0.12 1.33 0.20 -1.26 0.13 118.68 118.24 2dax s LEU 30 Ca -0.01 0.21 -0.00 0.00 0.69 0.00 0.00 54.13 55.02 2dax s LEU 30 Cb 0.00 -1.95 0.02 0.00 -0.43 0.00 0.00 46.19 43.83 2dax s LEU 30 CO 0.01 0.30 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.65 2dax s ILE 31 N -0.41 1.15 -0.70 6.68 1.09 0.40 -5.01 121.20 124.40 2dax s ILE 31 Ca 0.10 -0.37 -0.15 0.00 -1.10 0.00 0.00 60.65 59.13 2dax s ILE 31 Cb -0.12 -1.14 0.18 0.00 -1.06 0.00 0.00 42.46 40.32 2dax s ILE 31 CO 0.02 0.39 0.65 -0.69 -0.10 0.00 0.00 174.94 175.21 2dax s VAL 32 N 1.63 5.44 0.12 2.92 1.01 -1.26 -0.53 120.40 129.74 2dax s VAL 32 Ca 0.04 -2.05 -0.17 0.00 0.00 0.00 0.00 61.98 59.80 2dax s VAL 32 Cb -0.13 -4.41 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 2dax s VAL 32 CO -0.08 -0.96 1.68 0.78 0.00 0.00 0.00 175.10 176.52 2dax h ASN 33 N 8.26 0.47 -0.58 3.32 4.21 -1.93 -3.15 115.58 126.17 2dax h ASN 33 Ca -0.07 -0.15 -0.66 0.00 1.21 0.00 0.00 56.30 56.64 2dax h ASN 33 Cb 1.07 -0.12 -0.06 0.00 -1.12 0.00 0.00 38.32 38.09 2dax h ASN 33 CO 0.88 0.49 2.70 -0.67 -1.29 0.00 0.00 177.43 179.53 2dax n ASP 34 N -4.71 8.06 -0.29 5.81 -0.08 -1.06 -4.67 116.55 119.61 2dax n ASP 34 Ca -0.01 -2.86 0.02 0.00 -1.51 0.00 0.00 54.79 50.43 2dax n ASP 34 Cb 0.13 -1.44 0.15 0.00 2.34 0.00 0.00 41.12 42.30 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 4.55 0.82 -0.28 -0.67 5.75 -1.84 -2.26 115.11 121.18 2dax h GLN 35 Ca 0.72 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 59.22 2dax h GLN 35 Cb 0.41 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.72 2dax h GLN 35 CO 1.48 0.54 -0.03 1.25 -2.65 0.00 0.00 178.83 179.42 2dax h LEU 36 N 0.85 -0.18 -0.84 -2.39 5.85 -1.92 -2.27 115.31 114.42 2dax h LEU 36 Ca 0.38 0.07 0.14 0.00 0.84 0.00 0.00 57.88 59.32 2dax h LEU 36 Cb 0.28 0.14 -0.15 0.00 0.37 0.00 0.00 40.66 41.31 2dax h LEU 36 CO -0.22 -0.05 -0.34 0.00 -0.34 0.00 0.00 178.44 177.49 2dax h ALA 37 N 1.26 0.17 -0.82 1.25 0.00 -1.65 0.38 119.26 119.84 2dax h ALA 37 Ca 0.13 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2dax h ALA 37 Cb 0.19 0.87 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2dax h ALA 37 CO -0.25 -0.60 0.46 0.28 0.00 0.00 0.00 179.25 179.14 2dax h VAL 38 N -0.06 1.24 -0.49 0.00 2.07 -1.46 -2.61 116.25 114.95 2dax h VAL 38 Ca 0.32 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 67.31 2dax h VAL 38 Cb 0.59 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 2dax h VAL 38 CO -0.87 0.26 0.25 0.00 0.02 0.00 0.00 177.57 177.24 2dax h ALA 39 N 1.24 0.62 -0.90 1.67 0.00 0.20 -2.06 119.26 120.04 2dax h ALA 39 Ca 0.29 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2dax h ALA 39 Cb 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2dax h ALA 39 CO -0.05 -0.09 0.59 0.93 0.00 0.00 0.00 179.25 180.64 2dax h GLU 40 N 0.50 1.18 -0.43 0.00 4.39 -0.64 -2.63 114.58 116.95 2dax h GLU 40 Ca 0.21 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.92 2dax h GLU 40 Cb 0.10 -0.27 -0.07 0.00 -0.10 0.00 0.00 28.75 28.42 2dax h GLU 40 CO -0.14 0.79 -0.01 1.25 -1.16 0.00 0.00 179.01 179.74 2dax h LEU 41 N 1.22 -0.20 0.33 1.33 5.85 -1.01 -2.46 115.31 120.37 2dax h LEU 41 Ca 0.33 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.15 2dax h LEU 41 Cb -0.14 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2dax h LEU 41 CO -0.07 -0.06 -0.46 0.11 -0.34 0.00 0.00 178.44 177.61 2dax h LYS 42 N 0.10 -0.81 -0.91 1.25 6.56 -1.32 -2.26 116.57 119.17 2dax h LYS 42 Ca 0.21 0.06 0.22 0.00 -1.06 0.00 0.00 60.65 60.08 2dax h LYS 42 Cb 0.31 0.18 -0.17 0.00 -0.57 0.00 0.00 32.23 31.99 2dax h LYS 42 CO -0.36 -0.54 -0.03 0.22 -2.06 0.00 0.00 179.45 176.68 2dax h ASP 43 N -0.84 -0.51 -0.29 0.86 3.58 -1.40 0.32 116.42 118.14 2dax h ASP 43 Ca -0.03 0.25 0.06 0.00 0.42 0.00 0.00 57.03 57.73 2dax h ASP 43 Cb 0.78 0.46 -0.05 0.00 1.72 0.00 0.00 39.33 42.23 2dax h ASP 43 CO -0.14 -0.29 -0.07 0.00 -2.88 0.00 0.00 179.24 175.86 2dax h ILE 45 N 0.00 0.47 -0.47 0.00 2.04 -0.09 0.17 117.51 119.63 2dax h ILE 45 Ca 0.14 -0.13 0.09 0.00 1.00 0.00 0.00 64.86 65.96 2dax h ILE 45 Cb 0.21 0.52 -0.08 0.00 -0.74 0.00 0.00 36.82 36.73 2dax h ILE 45 CO -0.29 0.02 -0.01 -0.33 0.00 0.00 0.00 178.15 177.54 2dax h GLU 46 N -0.79 0.10 0.00 2.37 4.39 -0.81 0.37 114.58 120.21 2dax h GLU 46 Ca -0.07 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2dax h GLU 46 Cb 0.58 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2dax h GLU 46 CO 0.12 0.06 0.00 1.63 -1.16 0.00 0.00 179.01 179.66 2dax n LYS 47 N -5.23 0.13 -4.33 2.33 5.02 0.68 -4.88 118.16 111.88 2dax n LYS 47 Ca 0.05 0.11 -0.37 0.00 -2.02 0.00 0.00 58.31 56.08 2dax n LYS 47 Cb 0.25 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.41 -0.80 -0.00 1.97 5.02 0.13 -4.74 118.16 118.32 2dax n LYS 48 Ca 0.07 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2dax n LYS 48 Cb 0.22 -4.09 -0.00 0.00 -0.02 0.00 0.00 35.03 31.14 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 -4.05 0.00 -4.01 -0.18 5.66 -1.14 -4.81 114.28 105.76 2dax n THR 49 Ca -0.03 -0.24 -0.26 0.00 -3.05 0.00 0.00 64.05 60.46 2dax n THR 49 Cb 0.51 0.74 -0.03 0.00 -1.55 0.00 0.00 70.33 69.99 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 -1.27 -2.99 -0.04 1.09 2.81 -1.25 -4.85 117.12 110.62 2dax n MET 50 Ca -0.00 0.36 -0.12 0.00 -1.81 0.00 0.00 57.70 56.13 2dax n MET 50 Cb 0.01 -4.43 -0.06 0.00 -0.71 0.00 0.00 33.22 28.03 2dax n MET 50 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2dax h GLU 51 N -1.82 -0.45 0.00 0.03 5.08 -1.96 -3.47 114.58 111.99 2dax h GLU 51 Ca -0.63 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 2dax h GLU 51 Cb 1.38 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.73 2dax h GLU 51 CO 0.64 -0.30 0.00 0.41 -1.00 0.00 0.00 179.01 178.76 2dax n GLY 52 N -1.43 4.18 3.80 -3.84 0.00 -1.26 -5.15 105.19 101.50 2dax n GLY 52 Ca -0.03 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 2dax n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dax s ARG 53 N -4.04 3.03 -0.00 1.61 3.03 -1.26 -5.01 118.95 116.31 2dax s ARG 53 Ca 0.00 -0.58 0.01 0.00 2.03 0.00 0.00 55.73 57.19 2dax s ARG 53 Cb 0.00 -2.82 -0.02 0.00 -1.03 0.00 0.00 34.95 31.08 2dax s ARG 53 CO 0.00 0.60 0.04 0.45 -1.13 0.00 0.00 175.30 175.26 2dax n SER 54 N 0.66 4.05 -4.41 -2.89 2.88 -1.26 -4.94 113.62 107.72 2dax n SER 54 Ca -0.09 -0.07 -0.44 0.00 -1.33 0.00 0.00 58.87 56.93 2dax n SER 54 Cb 0.52 1.06 -0.05 0.00 -0.75 0.00 0.00 64.21 64.99 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 -2.03 6.20 0.15 -3.46 0.01 -1.26 -5.03 113.70 108.27 2dax s SER 55 Ca -0.00 -1.20 -0.31 0.00 1.31 0.00 0.00 55.95 55.74 2dax s SER 55 Cb 0.01 -2.30 -0.10 0.00 0.21 0.00 0.00 66.02 63.84 2dax s SER 55 CO 0.06 -1.04 1.61 -0.54 0.41 0.00 0.00 173.24 173.74 2dax s LYS 56 N 2.73 4.20 -0.66 12.44 1.02 -1.26 -4.57 119.74 133.64 2dax s LYS 56 Ca 0.13 2.39 -0.26 0.00 0.02 0.00 0.00 55.97 58.26 2dax s LYS 56 Cb -0.22 -3.25 -0.12 0.00 -0.52 0.00 0.00 37.83 33.72 2dax s LYS 56 CO 0.09 -0.66 2.45 0.28 -0.92 0.00 0.00 175.35 176.59 2dax n VAL 57 N 4.15 -0.05 -3.77 3.17 0.31 -1.23 -4.87 118.33 116.04 2dax n VAL 57 Ca 0.15 -0.61 -0.36 0.00 -0.01 0.00 0.00 64.34 63.51 2dax n VAL 57 Cb 0.38 -2.14 -0.11 0.00 -0.91 0.00 0.00 33.84 31.06 2dax n VAL 57 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2dax s TYR 58 N 11.73 3.18 -0.14 3.52 5.04 -1.26 -2.08 117.35 137.33 2dax s TYR 58 Ca 1.04 -0.09 -0.09 0.00 -2.44 0.00 0.00 57.07 55.49 2dax s TYR 58 Cb -0.36 -2.23 0.05 0.00 0.35 0.00 0.00 41.96 39.77 2dax s TYR 58 CO 0.27 -0.13 0.35 -0.59 -1.34 0.00 0.00 175.55 174.11 2dax s PHE 59 N 1.26 -0.48 -0.11 4.97 -0.71 -0.74 -2.55 117.98 119.63 2dax s PHE 59 Ca 0.06 1.07 -0.06 0.00 -1.04 0.00 0.00 56.93 56.95 2dax s PHE 59 Cb -0.14 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 2dax s PHE 59 CO 0.05 -0.28 0.14 0.99 -1.34 0.00 0.00 175.22 174.77 2dax s THR 60 N 1.11 5.44 -0.14 -4.49 2.01 0.32 -1.88 115.64 118.01 2dax s THR 60 Ca -0.08 0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.08 2dax s THR 60 Cb -0.08 -3.38 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 2dax s THR 60 CO -0.09 0.60 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.69 2dax s ILE 61 N -1.04 3.15 -0.32 1.82 1.01 -0.97 -0.45 121.20 124.41 2dax s ILE 61 Ca 0.16 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 2dax s ILE 61 Cb -0.12 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.02 2dax s ILE 61 CO 0.05 0.52 0.13 0.20 0.00 0.00 0.00 174.94 175.83 2dax s ASN 62 N 0.39 5.39 -0.24 3.58 0.01 0.12 -1.18 114.94 123.01 2dax s ASN 62 Ca -0.10 -0.71 0.00 0.00 -0.71 0.00 0.00 52.86 51.34 2dax s ASN 62 Cb -0.16 -1.95 0.04 0.00 0.41 0.00 0.00 41.25 39.59 2dax s ASN 62 CO 0.05 -0.23 -0.10 -0.04 -1.51 0.00 0.00 177.10 175.27 2dax s MET 63 N 1.54 2.65 -0.46 -0.60 -1.94 -1.08 -4.69 119.30 114.72 2dax s MET 63 Ca 0.03 -1.09 -0.29 0.00 -1.71 0.00 0.00 55.69 52.64 2dax s MET 63 Cb -0.18 -2.89 0.03 0.00 2.01 0.00 0.00 34.83 33.81 2dax s MET 63 CO 0.04 -0.43 1.11 0.54 -0.01 0.00 0.00 175.02 176.27 2dax s ASN 64 N 1.24 6.65 0.10 3.03 4.22 -1.26 -2.18 114.94 126.75 2dax s ASN 64 Ca -0.02 0.50 -0.00 0.00 -2.14 0.00 0.00 52.86 51.20 2dax s ASN 64 Cb -0.17 -2.54 -0.04 0.00 1.28 0.00 0.00 41.25 39.78 2dax s ASN 64 CO -0.06 -1.19 -0.00 -0.76 -2.04 0.00 0.00 177.10 173.05 2dax s LEU 65 N 4.29 2.20 0.46 3.54 1.43 -0.34 -4.90 118.68 125.35 2dax s LEU 65 Ca 0.46 -1.10 -0.22 0.00 -1.03 0.00 0.00 54.13 52.25 2dax s LEU 65 Cb -0.08 0.15 -0.08 0.00 0.03 0.00 0.00 46.19 46.21 2dax s LEU 65 CO 0.29 -0.62 1.09 1.51 0.23 0.00 0.00 176.35 178.85 2dax s ASP 66 N -3.02 6.34 0.00 2.29 -4.77 -1.26 -0.92 116.67 115.33 2dax s ASP 66 Ca 0.16 2.09 0.00 0.00 -3.30 0.00 0.00 52.55 51.50 2dax s ASP 66 Cb 0.07 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.32 2dax s ASP 66 CO -0.03 -0.78 0.00 1.33 0.70 0.00 0.00 175.17 176.38 2dax n VAL 67 N -0.61 0.01 -3.85 2.11 0.24 -1.02 -4.62 118.33 110.59 2dax n VAL 67 Ca 0.08 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.35 2dax n VAL 67 Cb 0.50 -1.24 0.01 0.00 -1.47 0.00 0.00 33.84 31.65 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 -5.01 -0.03 -1.26 -1.34 1.04 -1.26 -4.87 113.70 100.97 2dax s SER 68 Ca 0.00 -0.64 -0.12 0.00 0.48 0.00 0.00 55.95 55.67 2dax s SER 68 Cb 0.00 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.65 2dax s SER 68 CO 0.00 -1.00 0.23 0.47 0.98 0.00 0.00 173.24 173.92 2dax n ASP 69 N -1.07 -0.86 -3.81 7.02 8.00 -1.26 0.77 116.55 125.33 2dax n ASP 69 Ca -0.04 -1.14 -0.29 0.00 0.71 0.00 0.00 54.79 54.02 2dax n ASP 69 Cb 0.60 -1.40 -0.06 0.00 -0.02 0.00 0.00 41.12 40.23 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 -4.34 -0.84 -4.54 -1.24 2.13 -1.26 -4.88 120.64 105.67 2dax n GLU 70 Ca -0.22 0.09 -0.27 0.00 0.66 0.00 0.00 57.16 57.43 2dax n GLU 70 Cb 0.57 -3.27 -0.10 0.00 0.27 0.00 0.00 31.44 28.91 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 -5.89 1.93 0.23 5.31 1.02 0.23 -5.07 119.74 117.51 2dax s LYS 71 Ca 0.43 -2.00 0.10 0.00 0.02 0.00 0.00 55.97 54.52 2dax s LYS 71 Cb -0.25 -1.71 -0.05 0.00 -0.52 0.00 0.00 37.83 35.30 2dax s LYS 71 CO 0.77 0.04 -0.19 -1.64 -0.92 0.00 0.00 175.35 173.40 2dax s MET 72 N -3.68 1.52 0.18 1.68 -1.94 -1.26 -2.43 119.30 113.37 2dax s MET 72 Ca 0.34 -1.64 -0.17 0.00 -1.71 0.00 0.00 55.69 52.51 2dax s MET 72 Cb 0.06 -1.57 0.03 0.00 2.01 0.00 0.00 34.83 35.36 2dax s MET 72 CO 0.18 0.30 0.50 0.00 -0.01 0.00 0.00 175.02 175.99 2dax s ALA 73 N -2.43 -0.97 0.03 3.03 0.00 -0.10 -4.89 121.76 116.43 2dax s ALA 73 Ca 0.25 -0.15 -0.08 0.00 0.00 0.00 0.00 51.96 51.98 2dax s ALA 73 Cb -0.05 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.85 2dax s ALA 73 CO 0.11 -0.77 0.33 1.41 0.00 0.00 0.00 175.76 176.84 2dax s MET 74 N -3.85 3.67 -0.25 0.00 1.75 -1.26 -1.20 119.30 118.15 2dax s MET 74 Ca 0.08 0.05 0.02 0.00 -1.25 0.00 0.00 55.69 54.59 2dax s MET 74 Cb -0.00 -3.05 0.06 0.00 2.84 0.00 0.00 34.83 34.67 2dax s MET 74 CO -0.05 0.62 -0.09 -0.06 -0.65 0.00 0.00 175.02 174.78 2dax s PHE 75 N -1.32 3.04 -0.25 4.11 0.40 -0.92 -4.83 117.98 118.20 2dax s PHE 75 Ca 0.29 -2.19 -0.26 0.00 -0.60 0.00 0.00 56.93 54.18 2dax s PHE 75 Cb -0.14 -1.85 -0.00 0.00 0.51 0.00 0.00 43.02 41.54 2dax s PHE 75 CO 0.17 -0.85 0.89 -1.12 0.70 0.00 0.00 175.22 175.00 2dax s SER 76 N 1.18 6.89 -0.53 1.36 0.01 -1.10 -2.64 113.70 118.86 2dax s SER 76 Ca -0.08 1.09 -0.03 0.00 1.31 0.00 0.00 55.95 58.25 2dax s SER 76 Cb -0.20 -2.46 0.14 0.00 0.21 0.00 0.00 66.02 63.71 2dax s SER 76 CO -0.05 -0.57 0.33 -0.76 0.41 0.00 0.00 173.24 172.60 2dax s LEU 77 N 2.97 5.23 -0.76 2.44 1.02 -0.33 -1.35 118.68 127.90 2dax s LEU 77 Ca 0.37 -2.50 -0.26 0.00 0.02 0.00 0.00 54.13 51.77 2dax s LEU 77 Cb -0.15 -1.84 -0.01 0.00 0.02 0.00 0.00 46.19 44.21 2dax s LEU 77 CO 0.08 -0.44 1.72 0.00 0.02 0.00 0.00 176.35 177.72 2dax s ALA 78 N 0.46 2.22 -0.21 4.21 0.00 -0.82 -2.29 121.76 125.34 2dax s ALA 78 Ca 0.13 -1.19 -0.09 0.00 0.00 0.00 0.00 51.96 50.81 2dax s ALA 78 Cb -0.22 -4.38 -0.04 0.00 0.00 0.00 0.00 23.12 18.48 2dax s ALA 78 CO -0.04 -3.97 0.10 0.00 0.00 0.00 0.00 175.76 171.85 2dax s ILE 80 N 0.67 1.53 -0.14 0.00 1.01 -1.25 -1.78 121.20 121.23 2dax s ILE 80 Ca 0.05 -1.63 -0.29 0.00 0.00 0.00 0.00 60.65 58.78 2dax s ILE 80 Cb -0.13 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 2dax s ILE 80 CO 0.01 -0.46 1.31 -0.76 0.00 0.00 0.00 174.94 175.05 2dax s LEU 81 N 1.32 4.21 0.00 2.97 1.43 -0.88 -2.77 118.68 124.96 2dax s LEU 81 Ca 0.05 1.79 -0.02 0.00 -1.03 0.00 0.00 54.13 54.92 2dax s LEU 81 Cb -0.18 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.52 2dax s LEU 81 CO -0.13 -0.77 0.09 -0.81 0.23 0.00 0.00 176.35 174.96 2dax n PRO 82 N 6.51 -1.20 0.01 1.29 -0.04 -1.26 -3.47 135.00 136.85 2dax n PRO 82 Ca 0.14 -0.14 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 2dax n PRO 82 Cb 0.45 -0.13 0.12 0.00 -0.04 0.00 0.00 33.50 33.89 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 -2.70 0.11 0.03 0.54 3.72 -1.26 -4.14 117.46 113.77 2dax n PHE 83 Ca 0.01 0.03 -0.21 0.00 -0.05 0.00 0.00 57.45 57.23 2dax n PHE 83 Cb 0.05 -0.29 -0.14 0.00 -0.94 0.00 0.00 39.48 38.16 2dax n PHE 83 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2dax h LYS 84 N 0.00 0.30 -3.14 -1.08 6.56 -1.93 -3.48 116.57 113.80 2dax h LYS 84 Ca 0.00 -0.52 -0.34 0.00 -1.06 0.00 0.00 60.65 58.73 2dax h LYS 84 Cb 0.58 0.19 0.07 0.00 -0.57 0.00 0.00 32.23 32.50 2dax h LYS 84 CO 0.00 1.22 -0.36 0.98 -2.06 0.00 0.00 179.45 179.24 2dax n TYR 85 N -3.50 -0.56 0.54 -1.35 9.36 -1.26 -1.22 117.16 119.18 2dax n TYR 85 Ca -0.28 0.44 0.07 0.00 3.32 0.00 0.00 57.90 61.45 2dax n TYR 85 Cb 1.06 -0.99 0.32 0.00 -0.63 0.00 0.00 39.34 39.10 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 0.59 0.05 0.00 2.98 -0.04 -1.26 -4.80 135.00 132.52 2dax n PRO 86 Ca 0.08 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2dax n PRO 86 Cb 0.16 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 -1.45 0.00 -2.99 0.55 0.00 -0.36 -4.03 120.51 112.24 2dax n ALA 87 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 2dax n ALA 87 Cb 0.15 0.20 -0.12 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.44 4.14 0.89 0.00 -7.23 -1.26 -4.61 120.40 109.89 2dax s VAL 88 Ca 0.00 -0.26 -0.16 0.00 -1.81 0.00 0.00 61.98 59.76 2dax s VAL 88 Cb 0.00 -2.86 -0.09 0.00 0.56 0.00 0.00 36.38 33.99 2dax s VAL 88 CO 0.00 0.44 -0.26 0.18 -0.31 0.00 0.00 175.10 175.15 2dax n LEU 89 N 3.98 -3.46 0.00 1.32 4.77 -1.26 -3.99 117.00 118.35 2dax n LEU 89 Ca -0.17 0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 56.05 2dax n LEU 89 Cb 0.52 -0.94 0.07 0.00 -2.33 0.00 0.00 43.42 40.75 2dax n LEU 89 CO 0.33 -4.94 0.18 -0.81 -1.33 0.00 0.00 177.39 170.82 2dax n PRO 90 N 0.94 -1.66 -2.99 3.23 -0.04 -1.26 -4.81 135.00 128.41 2dax n PRO 90 Ca 0.03 -0.52 -0.26 0.00 -0.04 0.00 0.00 63.50 62.71 2dax n PRO 90 Cb 0.54 -0.49 -0.04 0.00 -0.04 0.00 0.00 33.50 33.47 2dax n PRO 90 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dax n GLU 91 N -2.50 2.98 -1.99 0.54 -0.58 -1.11 -4.96 120.64 113.01 2dax n GLU 91 Ca 0.05 -4.71 -0.42 0.00 -0.42 0.00 0.00 57.16 51.66 2dax n GLU 91 Cb 0.18 -2.19 -0.03 0.00 -0.57 0.00 0.00 31.44 28.83 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 -4.15 2.71 -0.35 -3.67 1.01 -1.25 -3.95 121.20 111.55 2dax s ILE 92 Ca 0.48 0.55 0.02 0.00 0.00 0.00 0.00 60.65 61.69 2dax s ILE 92 Cb 0.28 -3.35 0.11 0.00 0.01 0.00 0.00 42.46 39.50 2dax s ILE 92 CO -0.13 0.06 0.10 -0.89 0.00 0.00 0.00 174.94 174.09 2dax s THR 93 N 0.61 1.63 0.16 2.92 2.01 0.67 -4.92 115.64 118.71 2dax s THR 93 Ca 0.64 -2.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.31 2dax s THR 93 Cb -0.42 -2.20 -0.08 0.00 0.01 0.00 0.00 72.50 69.81 2dax s THR 93 CO 0.37 -0.67 1.19 -0.69 -0.69 0.00 0.00 174.62 174.12 2dax s VAL 94 N 1.07 3.69 0.06 3.82 1.01 -1.26 -1.95 120.40 126.84 2dax s VAL 94 Ca 0.11 1.38 -0.04 0.00 0.00 0.00 0.00 61.98 63.43 2dax s VAL 94 Cb -0.19 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2dax s VAL 94 CO -0.14 0.20 0.07 -0.13 0.00 0.00 0.00 175.10 175.10 2dax s ARG 95 N -0.01 0.66 -0.29 2.72 0.52 -0.45 -4.88 118.95 117.21 2dax s ARG 95 Ca 0.53 -0.99 -0.18 0.00 -0.52 0.00 0.00 55.73 54.58 2dax s ARG 95 Cb -0.32 0.25 0.16 0.00 0.52 0.00 0.00 34.95 35.56 2dax s ARG 95 CO 0.35 -0.16 1.08 0.45 0.02 0.00 0.00 175.30 177.04 2dax s SER 96 N -2.62 -0.37 0.56 0.23 0.15 -1.26 -2.71 113.70 107.68 2dax s SER 96 Ca 0.02 0.62 0.26 0.00 0.70 0.00 0.00 55.95 57.55 2dax s SER 96 Cb 0.04 1.02 1.52 0.00 -1.71 0.00 0.00 66.02 66.89 2dax s SER 96 CO -0.08 -0.10 2.07 -0.37 1.20 0.00 0.00 173.24 175.95 2dax h VAL 97 N 4.60 0.61 0.33 4.45 -1.51 -2.01 -2.34 116.25 120.38 2dax h VAL 97 Ca -0.28 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.18 2dax h VAL 97 Cb 1.18 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 2dax h VAL 97 CO 0.19 0.00 -0.16 -0.07 -1.23 0.00 0.00 177.57 176.30 2dax h LEU 98 N 0.00 -0.38-10.24 4.19 3.38 -1.95 -3.45 115.31 106.86 2dax h LEU 98 Ca 0.13 -0.16 -0.46 0.00 0.09 0.00 0.00 57.88 57.47 2dax h LEU 98 Cb 0.60 0.10 0.19 0.00 0.09 0.00 0.00 40.66 41.63 2dax h LEU 98 CO -0.00 -0.00 0.12 -0.76 0.09 0.00 0.00 178.44 177.89 2dax s LEU 99 N -9.48 1.49 0.44 1.67 1.43 -0.88 -5.01 118.68 108.34 2dax s LEU 99 Ca -0.14 1.51 0.08 0.00 -1.03 0.00 0.00 54.13 54.55 2dax s LEU 99 Cb 0.02 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 2dax s LEU 99 CO 0.53 -3.56 0.41 -0.44 0.23 0.00 0.00 176.35 173.53 2dax s SER 100 N -2.92 5.05 0.28 2.29 0.01 -1.26 -4.85 113.70 112.30 2dax s SER 100 Ca 0.67 -0.78 0.21 0.00 1.31 0.00 0.00 55.95 57.35 2dax s SER 100 Cb -0.22 -0.44 1.03 0.00 0.21 0.00 0.00 66.02 66.61 2dax s SER 100 CO 0.61 -0.74 1.63 -2.11 0.41 0.00 0.00 173.24 173.04 2dax n ARG 101 N -1.63 0.14 -0.06 12.44 -4.01 -1.26 -1.61 116.66 120.68 2dax n ARG 101 Ca 0.04 0.56 -0.05 0.00 -1.04 0.00 0.00 57.85 57.36 2dax n ARG 101 Cb 0.62 -1.90 -0.02 0.00 -3.04 0.00 0.00 32.46 28.12 2dax n ARG 101 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 2dax n SER 102 N -2.19 1.42 0.04 2.89 7.64 -1.26 -4.02 113.62 118.15 2dax n SER 102 Ca -0.00 0.42 -0.12 0.00 1.01 0.00 0.00 58.87 60.17 2dax n SER 102 Cb 0.09 -0.74 -0.06 0.00 -1.01 0.00 0.00 64.21 62.49 2dax n SER 102 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2dax h GLN 103 N -0.76 -0.48 -0.86 1.43 1.08 -1.95 -1.39 115.11 112.17 2dax h GLN 103 Ca 0.00 0.03 0.23 0.00 -1.45 0.00 0.00 58.65 57.46 2dax h GLN 103 Cb 0.55 0.11 -0.14 0.00 -0.05 0.00 0.00 27.48 27.95 2dax h GLN 103 CO 0.00 -0.32 0.24 0.37 -0.95 0.00 0.00 178.83 178.17 2dax h GLN 104 N -0.50 0.22 0.27 1.46 5.75 -1.55 0.01 115.11 120.77 2dax h GLN 104 Ca 0.07 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 2dax h GLN 104 Cb 0.60 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.10 2dax h GLN 104 CO -0.32 0.14 -0.17 1.15 -2.65 0.00 0.00 178.83 176.99 2dax h THR 105 N 0.23 0.65 -1.00 2.39 2.02 -1.42 -1.82 112.91 113.96 2dax h THR 105 Ca 0.54 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.82 2dax h THR 105 Cb 1.06 0.65 -0.08 0.00 -1.74 0.00 0.00 68.15 68.04 2dax h THR 105 CO -0.63 0.00 0.63 -0.61 0.37 0.00 0.00 175.52 175.28 2dax h GLN 106 N -0.42 1.01 -0.57 6.66 5.75 -0.37 -1.20 115.11 125.96 2dax h GLN 106 Ca -0.03 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 2dax h GLN 106 Cb 0.35 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 2dax h GLN 106 CO 0.03 0.67 0.35 1.25 -2.65 0.00 0.00 178.83 178.47 2dax h LEU 107 N 1.04 0.69 -0.20 -2.39 6.46 -0.74 -2.88 115.31 117.29 2dax h LEU 107 Ca 0.47 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 58.16 2dax h LEU 107 Cb 0.39 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 2dax h LEU 107 CO -0.24 0.55 0.07 0.78 -0.62 0.00 0.00 178.44 178.98 2dax h ASN 108 N 0.77 0.28 -1.05 1.25 2.35 -0.44 -0.30 115.58 118.45 2dax h ASN 108 Ca 0.21 -0.18 0.28 0.00 -0.55 0.00 0.00 56.30 56.05 2dax h ASN 108 Cb -0.02 -0.07 -0.12 0.00 0.05 0.00 0.00 38.32 38.16 2dax h ASN 108 CO -0.04 0.39 0.64 0.74 -1.65 0.00 0.00 177.43 177.52 2dax h THR 109 N 0.16 0.45 0.10 2.81 2.02 -1.06 -0.72 112.91 116.67 2dax h THR 109 Ca 0.07 -0.14 -0.17 0.00 0.77 0.00 0.00 66.41 66.93 2dax h THR 109 Cb 0.20 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.61 2dax h THR 109 CO -0.00 0.08 -0.81 -0.78 0.37 0.00 0.00 175.52 174.38 2dax h ASP 110 N 0.42 0.33 -0.94 4.18 1.82 -1.31 -3.15 116.42 117.77 2dax h ASP 110 Ca 0.66 -0.91 0.28 0.00 -0.39 0.00 0.00 57.03 56.66 2dax h ASP 110 Cb 1.53 -0.11 -0.15 0.00 0.68 0.00 0.00 39.33 41.29 2dax h ASP 110 CO -0.43 1.37 0.40 0.25 -1.61 0.00 0.00 179.24 179.22 2dax h LEU 111 N -0.52 0.25 -0.07 2.28 5.85 0.38 0.18 115.31 123.66 2dax h LEU 111 Ca -0.16 0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 2dax h LEU 111 Cb 1.52 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.75 2dax h LEU 111 CO 0.08 -0.14 -0.14 0.74 -0.34 0.00 0.00 178.44 178.63 2dax h THR 112 N 0.27 1.42 -0.59 1.05 2.02 -1.43 -3.26 112.91 112.39 2dax h THR 112 Ca 0.64 -1.46 0.08 0.00 0.77 0.00 0.00 66.41 66.45 2dax h THR 112 Cb 1.39 2.22 -0.07 0.00 -1.74 0.00 0.00 68.15 69.95 2dax h THR 112 CO -0.63 0.41 0.23 0.00 0.37 0.00 0.00 175.52 175.90 2dax h ALA 113 N 0.48 0.75 -0.20 6.16 0.00 -0.84 -2.17 119.26 123.44 2dax h ALA 113 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2dax h ALA 113 Cb 0.73 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2dax h ALA 113 CO 0.03 -0.17 -0.15 0.35 0.00 0.00 0.00 179.25 179.31 2dax h PHE 114 N 0.43 -0.48 0.11 0.00 3.57 -0.81 -1.96 116.94 117.80 2dax h PHE 114 Ca 0.29 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.84 2dax h PHE 114 Cb 0.33 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 2dax h PHE 114 CO -0.15 -0.11 -0.34 -0.07 -2.23 0.00 0.00 178.31 175.40 2dax h LEU 115 N -0.05 -0.99 -0.96 0.59 3.38 -1.61 0.51 115.31 116.19 2dax h LEU 115 Ca 0.03 0.11 0.35 0.00 0.09 0.00 0.00 57.88 58.46 2dax h LEU 115 Cb 0.13 0.37 -0.11 0.00 0.09 0.00 0.00 40.66 41.14 2dax h LEU 115 CO -0.21 -0.42 0.59 0.00 0.09 0.00 0.00 178.44 178.49 2dax n GLN 116 N -5.43 -0.03 -0.04 1.13 1.13 -0.83 0.76 117.38 114.07 2dax n GLN 116 Ca -0.07 0.96 -0.04 0.00 -1.94 0.00 0.00 57.00 55.91 2dax n GLN 116 Cb 0.34 -1.84 -0.01 0.00 0.11 0.00 0.00 30.24 28.83 2dax n GLN 116 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2dax n LYS 117 N -4.31 0.26 0.14 -1.09 4.81 -0.60 -4.41 118.16 112.97 2dax n LYS 117 Ca 0.30 0.16 -0.16 0.00 -0.87 0.00 0.00 58.31 57.74 2dax n LYS 117 Cb 1.12 -1.02 -0.09 0.00 0.02 0.00 0.00 35.03 35.05 2dax n LYS 117 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2dax h HIS 118 N -0.51 -1.40 -3.42 5.64 3.86 0.60 -3.39 115.15 116.52 2dax h HIS 118 Ca 0.00 0.03 -0.58 0.00 -1.16 0.00 0.00 60.37 58.66 2dax h HIS 118 Cb 0.46 0.59 -0.38 0.00 1.06 0.00 0.00 27.41 29.13 2dax h HIS 118 CO -0.20 -0.57 -0.79 0.00 0.86 0.00 0.00 177.93 177.23 2dax s HIS 120 N 1.54 -0.72 0.00 0.00 5.04 -1.17 -3.46 115.29 116.52 2dax s HIS 120 Ca -0.01 0.95 0.00 0.00 -1.54 0.00 0.00 55.06 54.45 2dax s HIS 120 Cb -0.16 0.04 0.00 0.00 0.04 0.00 0.00 32.58 32.50 2dax s HIS 120 CO -0.07 -0.61 0.00 0.41 -2.34 0.00 0.00 174.74 172.13 2dax n GLY 121 N 5.36 1.08 3.60 1.59 0.00 -1.26 -5.06 105.19 110.51 2dax n GLY 121 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.52 3.96 -0.66 1.61 1.11 -1.26 -4.47 116.67 116.43 2dax s ASP 122 Ca 0.00 -1.14 -0.27 0.00 0.18 0.00 0.00 52.55 51.32 2dax s ASP 122 Cb 0.00 -0.43 0.00 0.00 1.07 0.00 0.00 42.92 43.56 2dax s ASP 122 CO 0.00 -0.27 1.57 0.68 1.18 0.00 0.00 175.17 178.33 2dax s VAL 123 N -2.59 3.55 -0.43 -1.27 -7.23 -1.26 -4.91 120.40 106.27 2dax s VAL 123 Ca 0.34 0.33 0.02 0.00 -1.81 0.00 0.00 61.98 60.86 2dax s VAL 123 Cb 0.03 -4.41 0.15 0.00 0.56 0.00 0.00 36.38 32.70 2dax s VAL 123 CO 0.18 -1.35 0.28 0.00 -0.31 0.00 0.00 175.10 173.90 2dax n ILE 125 N 3.38 1.75 0.21 0.00 2.08 -1.26 -4.07 119.36 121.46 2dax n ILE 125 Ca 0.16 -0.69 0.05 0.00 0.56 0.00 0.00 62.75 62.83 2dax n ILE 125 Cb 0.39 -1.56 0.49 0.00 -0.75 0.00 0.00 39.64 38.20 2dax n ILE 125 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2dax h LEU 126 N 0.06 0.02 -0.86 1.39 3.38 -2.01 -2.54 115.31 114.75 2dax h LEU 126 Ca -0.38 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.59 2dax h LEU 126 Cb 2.03 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.73 2dax h LEU 126 CO 0.09 0.21 0.57 -1.13 0.09 0.00 0.00 178.44 178.26 2dax h ASN 127 N 0.02 0.98 0.29 -0.43 -0.00 -1.98 -1.99 115.58 112.48 2dax h ASN 127 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.26 2dax h ASN 127 Cb 0.33 -0.24 0.00 0.00 -0.00 0.00 0.00 38.32 38.41 2dax h ASN 127 CO 0.02 0.71 -0.14 0.00 -0.00 0.00 0.00 177.43 178.02 2dax h ALA 128 N 1.32 -0.39 -0.88 1.57 0.00 -1.63 -2.77 119.26 116.48 2dax h ALA 128 Ca 0.32 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.24 2dax h ALA 128 Cb -0.13 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 2dax h ALA 128 CO -0.07 -0.62 0.46 1.79 0.00 0.00 0.00 179.25 180.81 2dax h THR 129 N -0.60 0.68 0.00 0.00 1.35 -1.44 0.50 112.91 113.41 2dax h THR 129 Ca -0.04 -0.21 -0.01 0.00 -0.55 0.00 0.00 66.41 65.60 2dax h THR 129 Cb 0.43 0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 66.87 2dax h THR 129 CO 0.07 0.11 -0.06 -0.33 -0.25 0.00 0.00 175.52 175.05 2dax h GLU 130 N 0.61 0.00 0.00 4.72 4.39 -1.25 -1.42 114.58 121.62 2dax h GLU 130 Ca 0.50 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 60.10 2dax h GLU 130 Cb 0.76 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 2dax h GLU 130 CO -0.39 0.06 -0.89 2.35 -1.16 0.00 0.00 179.01 178.98 2dax h TRP 131 N 0.00 0.00 0.00 4.33 7.01 0.25 -3.35 115.95 124.19 2dax h TRP 131 Ca -0.00 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 2dax h TRP 131 Cb 0.27 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.33 2dax h TRP 131 CO 0.00 0.39 -0.11 0.28 -2.79 0.00 0.00 178.44 176.21 2dax h VAL 132 N 0.00 0.12 -1.73 2.65 2.07 -0.28 -2.16 116.25 116.92 2dax h VAL 132 Ca -0.06 -1.10 0.50 0.00 0.82 0.00 0.00 66.70 66.86 2dax h VAL 132 Cb 1.35 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 2dax h VAL 132 CO 0.04 0.04 1.37 0.08 0.02 0.00 0.00 177.57 179.12 2dax h ARG 133 N -1.00 0.00 0.00 1.57 0.11 -1.49 0.70 114.38 114.27 2dax h ARG 133 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2dax h ARG 133 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 2dax h ARG 133 CO -0.00 0.00 -0.31 -1.91 0.10 0.00 0.00 179.97 177.84 2dax n GLU 134 N -3.77 0.26 -0.01 0.08 4.07 -1.25 -4.27 120.64 115.76 2dax n GLU 134 Ca 0.39 0.39 -0.09 0.00 -0.06 0.00 0.00 57.16 57.78 2dax n GLU 134 Cb 1.89 -1.27 -0.03 0.00 -0.06 0.00 0.00 31.44 31.96 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 -0.58 -0.69 -0.05 4.31 3.86 -0.57 -3.01 115.15 118.41 2dax h HIS 135 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2dax h HIS 135 Cb 0.31 0.33 -0.01 0.00 1.06 0.00 0.00 27.41 29.11 2dax h HIS 135 CO -0.13 -0.34 -0.03 0.00 0.86 0.00 0.00 177.93 178.29 2dax n ALA 136 N -2.77 -0.03 -0.28 2.45 0.00 0.23 0.16 120.51 120.27 2dax n ALA 136 Ca -0.02 0.05 0.27 0.00 0.00 0.00 0.00 53.44 53.73 2dax n ALA 136 Cb 0.29 0.32 0.49 0.00 0.00 0.00 0.00 19.45 20.55 2dax n ALA 136 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2dax n SER 137 N -2.87 0.27 0.21 0.00 3.41 -1.14 0.34 113.62 113.84 2dax n SER 137 Ca 0.00 1.46 -0.15 0.00 -0.26 0.00 0.00 58.87 59.92 2dax n SER 137 Cb 0.01 -0.70 -0.08 0.00 -0.26 0.00 0.00 64.21 63.19 2dax n SER 137 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2dax h GLY 138 N 0.00 -0.52 0.58 5.00 0.00 0.15 -3.23 103.07 105.05 2dax h GLY 138 Ca 0.73 0.19 0.02 0.00 0.00 0.00 0.00 47.33 48.27 2dax h GLY 138 CO -0.69 -0.19 -0.20 -0.97 0.00 0.00 0.00 176.54 174.49 2dax h TYR 139 N -0.66 -0.53 -1.20 5.60 0.05 0.47 -3.41 116.97 117.30 2dax h TYR 139 Ca -0.05 0.01 -0.71 0.00 0.05 0.00 0.00 58.73 58.03 2dax h TYR 139 Cb 0.47 0.23 -0.00 0.00 1.01 0.00 0.00 36.73 38.43 2dax h TYR 139 CO -0.01 -0.29 1.16 0.28 -1.05 0.00 0.00 178.16 178.25 2dax n VAL 140 N -5.33 0.23 -3.58 -2.88 0.31 -0.54 -4.91 118.33 101.64 2dax n VAL 140 Ca -0.06 -0.13 -0.01 0.00 -0.01 0.00 0.00 64.34 64.13 2dax n VAL 140 Cb 0.24 -1.32 -0.05 0.00 -0.91 0.00 0.00 33.84 31.81 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 5.30 -0.94 -1.01 4.52 0.15 -1.26 -4.93 113.70 115.53 2dax s SER 141 Ca 1.05 1.32 -0.16 0.00 0.70 0.00 0.00 55.95 58.86 2dax s SER 141 Cb -1.03 1.96 0.16 0.00 -1.71 0.00 0.00 66.02 65.40 2dax s SER 141 CO 0.59 -0.19 1.17 -0.60 1.20 0.00 0.00 173.24 175.41 2dax s ARG 142 N 2.53 3.78 -0.13 5.44 3.52 -1.26 -4.82 118.95 128.01 2dax s ARG 142 Ca -0.06 -2.17 -0.10 0.00 -0.13 0.00 0.00 55.73 53.28 2dax s ARG 142 Cb -0.09 -4.88 -0.07 0.00 -1.56 0.00 0.00 34.95 28.35 2dax s ARG 142 CO -0.18 -1.68 0.12 -0.44 -0.81 0.00 0.00 175.30 172.30 2dax h ASP 143 N 8.10 0.00 -3.99 -2.12 5.19 -1.99 -3.46 116.42 118.14 2dax h ASP 143 Ca 0.20 -0.24 -0.54 0.00 -0.62 0.00 0.00 57.03 55.84 2dax h ASP 143 Cb 0.97 0.00 0.11 0.00 0.18 0.00 0.00 39.33 40.59 2dax h ASP 143 CO 1.10 0.75 0.62 0.28 -3.12 0.00 0.00 179.24 178.87 2dax s THR 144 N -1.92 2.37 -0.05 0.35 -1.32 -1.26 -4.97 115.64 108.84 2dax s THR 144 Ca -0.10 0.31 -0.11 0.00 -1.21 0.00 0.00 61.69 60.58 2dax s THR 144 Cb 0.01 -3.17 -0.06 0.00 -1.51 0.00 0.00 72.50 67.76 2dax s THR 144 CO 0.24 0.03 0.48 -1.28 -2.21 0.00 0.00 174.62 171.88 2dax h SER 145 N 2.15 -0.34 -6.71 8.08 0.87 -2.03 -3.46 113.55 112.11 2dax h SER 145 Ca -0.50 0.01 -0.54 0.00 -1.23 0.00 0.00 61.79 59.53 2dax h SER 145 Cb 1.27 0.09 -0.26 0.00 -0.44 0.00 0.00 62.40 63.06 2dax h SER 145 CO 0.60 0.07 -0.81 -1.54 -0.53 0.00 0.00 176.83 174.63 2dax n SER 146 N -4.84 -0.38 -4.05 6.23 3.41 -1.26 -4.89 113.62 107.84 2dax n SER 146 Ca -0.05 -1.09 -0.09 0.00 -0.26 0.00 0.00 58.87 57.39 2dax n SER 146 Cb 0.16 -1.37 -0.11 0.00 -0.26 0.00 0.00 64.21 62.63 2dax n SER 146 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dax s SER 147 N -3.56 0.47 -0.27 4.04 1.04 -1.26 -5.16 113.70 108.99 2dax s SER 147 Ca 0.36 -0.74 -0.26 0.00 0.48 0.00 0.00 55.95 55.79 2dax s SER 147 Cb -0.21 0.13 0.14 0.00 0.10 0.00 0.00 66.02 66.18 2dax s SER 147 CO 0.87 -0.42 1.14 -0.83 0.98 0.00 0.00 173.24 174.98 2dax s GLY 148 N -2.18 -0.03 0.00 7.32 0.00 -1.26 -5.01 107.32 106.16 2dax s GLY 148 Ca -0.04 2.82 0.14 0.00 0.00 0.00 0.00 44.72 47.64 2dax s GLY 148 CO -0.05 1.74 1.44 -1.55 0.00 0.00 0.00 173.10 174.69 2dax n PRO 149 N 1.83 0.07 -1.44 2.90 -0.04 -1.26 -4.86 135.00 132.20 2dax n PRO 149 Ca -0.11 0.22 -0.56 0.00 -0.04 0.00 0.00 63.50 63.01 2dax n PRO 149 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 2dax n PRO 149 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dax n SER 150 N -1.43 -0.17 -3.69 3.54 2.88 -1.26 -4.92 113.62 108.58 2dax n SER 150 Ca 0.05 1.12 -0.28 0.00 -1.33 0.00 0.00 58.87 58.43 2dax n SER 150 Cb 0.15 -0.89 -0.12 0.00 -0.75 0.00 0.00 64.21 62.60 2dax n SER 150 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dax s SER 151 N -0.13 3.40 0.00 -3.46 0.15 -1.26 -5.26 113.70 107.14 2dax s SER 151 Ca 0.85 -3.35 0.13 0.00 0.70 0.00 0.00 55.95 54.27 2dax s SER 151 Cb -1.18 -1.10 0.10 0.00 -1.71 0.00 0.00 66.02 62.12 2dax s SER 151 CO 0.55 -0.15 0.90 0.61 1.20 0.00 0.00 173.24 176.35