#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 5.58 0.45 1.61 0.15 -1.26 -5.09 113.70 115.15 2dax s SER 2 Ca 0.00 -1.40 -0.02 0.00 0.70 0.00 0.00 55.95 55.23 2dax s SER 2 Cb 0.00 -1.97 -0.01 0.00 -1.71 0.00 0.00 66.02 62.33 2dax s SER 2 CO 0.00 -0.48 0.70 -0.44 1.20 0.00 0.00 173.24 174.22 2dax s SER 3 N 1.92 5.98 0.00 5.45 0.01 -1.26 -4.94 113.70 120.86 2dax s SER 3 Ca 0.02 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.80 2dax s SER 3 Cb -0.22 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.20 2dax s SER 3 CO 0.03 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.64 2dax n GLY 4 N -2.13 -1.71 3.62 3.44 0.00 -1.26 -5.10 105.19 102.06 2dax n GLY 4 Ca 0.00 0.62 -0.43 0.00 0.00 0.00 0.00 46.02 46.22 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 6.80 -0.45 1.61 0.01 -1.26 -4.91 113.70 111.50 2dax s SER 5 Ca 0.00 0.84 0.04 0.00 1.31 0.00 0.00 55.95 58.14 2dax s SER 5 Cb 0.00 -2.55 0.43 0.00 0.21 0.00 0.00 66.02 64.12 2dax s SER 5 CO 0.00 -1.04 1.38 -1.20 0.41 0.00 0.00 173.24 172.80 2dax n SER 6 N 7.29 5.57 -2.74 2.44 7.64 -1.26 -4.68 113.62 127.88 2dax n SER 6 Ca 0.12 -3.76 -0.04 0.00 1.01 0.00 0.00 58.87 56.20 2dax n SER 6 Cb 0.48 -0.55 0.06 0.00 -1.01 0.00 0.00 64.21 63.18 2dax n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dax n GLY 7 N -0.65 1.66 0.07 0.23 0.00 -1.26 -4.93 105.19 100.31 2dax n GLY 7 Ca 0.46 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 2.53 0.07 -0.75 1.61 4.11 -2.00 -3.21 114.58 116.94 2dax h GLU 8 Ca -0.17 -0.05 0.12 0.00 0.07 0.00 0.00 59.36 59.33 2dax h GLU 8 Cb 1.24 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.37 2dax h GLU 8 CO 0.24 0.62 -0.36 0.37 0.07 0.00 0.00 179.01 179.95 2dax h GLN 9 N -0.47 -0.10 -0.71 1.06 4.15 -1.96 0.34 115.11 117.42 2dax h GLN 9 Ca 0.00 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.56 2dax h GLN 9 Cb 0.62 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.25 2dax h GLN 9 CO 0.01 -0.06 0.27 0.00 -1.93 0.00 0.00 178.83 177.12 2dax h ALA 10 N 1.12 0.97 -0.54 3.38 0.00 -1.93 -0.49 119.26 121.78 2dax h ALA 10 Ca 0.27 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 2dax h ALA 10 Cb 0.57 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2dax h ALA 10 CO -0.80 -0.21 0.02 0.93 0.00 0.00 0.00 179.25 179.19 2dax h GLU 11 N 0.43 0.91 -0.45 0.00 5.08 -0.49 -2.15 114.58 117.91 2dax h GLU 11 Ca 0.38 -0.25 0.09 0.00 -1.00 0.00 0.00 59.36 58.58 2dax h GLU 11 Cb 0.55 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.61 2dax h GLU 11 CO -0.38 0.89 -0.17 0.00 -1.00 0.00 0.00 179.01 178.35 2dax h ALA 12 N 1.17 0.19 -0.33 3.43 0.00 0.99 0.19 119.26 124.90 2dax h ALA 12 Ca 0.16 0.17 -0.18 0.00 0.00 0.00 0.00 54.91 55.06 2dax h ALA 12 Cb 0.47 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2dax h ALA 12 CO 0.02 -0.51 -0.49 1.96 0.00 0.00 0.00 179.25 180.23 2dax h GLN 13 N -0.07 0.90 0.35 0.00 4.20 -1.41 -3.25 115.11 115.84 2dax h GLN 13 Ca 0.22 -0.54 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 2dax h GLN 13 Cb 0.41 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 2dax h GLN 13 CO -0.50 1.18 -0.24 1.25 -0.67 0.00 0.00 178.83 179.85 2dax h LEU 14 N 0.71 -0.62 -0.79 1.46 5.85 -0.62 -2.68 115.31 118.62 2dax h LEU 14 Ca 0.03 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.86 2dax h LEU 14 Cb 1.09 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 42.22 2dax h LEU 14 CO 0.11 -0.36 -0.46 0.00 -0.34 0.00 0.00 178.44 177.39 2dax n ALA 15 N -2.44 -0.50 -0.24 1.25 0.00 0.56 0.63 120.51 119.78 2dax n ALA 15 Ca -0.07 0.67 -0.00 0.00 0.00 0.00 0.00 53.44 54.04 2dax n ALA 15 Cb 0.24 -0.11 0.07 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.02 0.02 0.00 4.81 -1.57 0.14 114.58 117.97 2dax h GLU 16 Ca 0.13 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2dax h GLU 16 Cb 0.33 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 2dax h GLU 16 CO -0.74 -0.01 -0.02 -0.07 -0.73 0.00 0.00 179.01 177.43 2dax h LEU 17 N -0.02 -0.06 -0.97 1.64 3.38 0.54 -1.08 115.31 118.75 2dax h LEU 17 Ca 0.32 0.00 0.31 0.00 0.09 0.00 0.00 57.88 58.61 2dax h LEU 17 Cb 0.52 0.02 -0.16 0.00 0.09 0.00 0.00 40.66 41.13 2dax h LEU 17 CO -0.72 -0.03 0.40 -0.78 0.09 0.00 0.00 178.44 177.41 2dax h ASP 18 N -0.04 0.20 0.33 -0.43 3.58 -0.94 -1.39 116.42 117.73 2dax h ASP 18 Ca -0.00 0.22 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 2dax h ASP 18 Cb 0.04 0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 2dax h ASP 18 CO -0.00 -0.24 -0.22 0.25 -2.88 0.00 0.00 179.24 176.15 2dax h LEU 19 N 0.18 -0.57 -0.81 2.28 6.46 -0.41 -3.12 115.31 119.32 2dax h LEU 19 Ca 0.70 0.03 0.08 0.00 -0.12 0.00 0.00 57.88 58.57 2dax h LEU 19 Cb 1.60 0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 41.59 2dax h LEU 19 CO -0.70 -0.33 -0.44 0.18 -0.62 0.00 0.00 178.44 176.53 2dax n LEU 20 N -3.66 -0.78 -0.25 2.25 4.77 -0.44 0.71 117.00 119.60 2dax n LEU 20 Ca -0.06 1.43 0.10 0.00 -0.03 0.00 0.00 56.01 57.45 2dax n LEU 20 Cb 0.22 -0.22 0.20 0.00 -2.33 0.00 0.00 43.42 41.29 2dax n LEU 20 CO 0.15 -1.19 0.56 0.00 -1.33 0.00 0.00 177.39 175.57 2dax n ALA 21 N -3.44 0.35 -0.11 -1.18 0.00 -1.06 0.22 120.51 115.29 2dax n ALA 21 Ca 0.03 0.76 -0.12 0.00 0.00 0.00 0.00 53.44 54.11 2dax n ALA 21 Cb 0.24 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 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 0.75 -0.77 0.00 0.02 0.25 -2.99 113.55 110.81 2dax h SER 22 Ca 0.42 -0.42 0.12 0.00 -0.84 0.00 0.00 61.79 61.08 2dax h SER 22 Cb 0.86 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.13 2dax h SER 22 CO -0.67 1.00 0.51 0.24 -1.14 0.00 0.00 176.83 176.77 2dax h MET 23 N 0.49 0.56 -3.40 3.45 2.07 0.31 -3.22 114.93 115.20 2dax h MET 23 Ca 0.07 -0.03 -0.71 0.00 -2.07 0.00 0.00 59.70 56.95 2dax h MET 23 Cb 0.73 -0.13 -0.34 0.00 -1.87 0.00 0.00 31.60 29.99 2dax h MET 23 CO 0.05 0.37 -0.09 -0.06 1.07 0.00 0.00 176.91 178.25 2dax s PHE 24 N -5.55 3.83 0.24 -0.22 0.40 -0.35 -4.88 117.98 111.45 2dax s PHE 24 Ca -0.09 -2.90 0.21 0.00 -0.60 0.00 0.00 56.93 53.55 2dax s PHE 24 Cb 0.21 -3.30 0.90 0.00 0.51 0.00 0.00 43.02 41.33 2dax s PHE 24 CO 0.77 -0.78 1.84 -1.00 0.70 0.00 0.00 175.22 176.75 2dax h PRO 25 N 6.32 0.00 -6.57 0.24 0.13 -1.68 -3.45 132.00 126.99 2dax h PRO 25 Ca 0.13 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.74 2dax h PRO 25 Cb 0.85 0.00 0.23 0.00 0.13 0.00 0.00 31.00 32.21 2dax h PRO 25 CO 0.83 0.29 -1.07 0.41 -0.23 0.00 0.00 178.00 178.23 2dax n GLY 26 N -0.07 -2.67 0.13 1.56 0.00 -1.26 -4.94 105.19 97.94 2dax n GLY 26 Ca -0.01 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 2dax n GLY 26 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2dax h GLU 27 N -1.54 0.28 -0.57 1.61 4.11 -1.95 -3.37 114.58 113.15 2dax h GLU 27 Ca -0.46 -0.47 -0.36 0.00 0.07 0.00 0.00 59.36 58.15 2dax h GLU 27 Cb 1.31 0.18 -0.22 0.00 0.50 0.00 0.00 28.75 30.52 2dax h GLU 27 CO 0.32 1.14 -0.05 0.27 0.07 0.00 0.00 179.01 180.76 2dax n ASN 28 N -3.46 3.84 -0.04 3.06 0.23 -1.26 -4.58 115.26 113.04 2dax n ASN 28 Ca -0.23 -3.78 -0.21 0.00 -0.53 0.00 0.00 54.58 49.83 2dax n ASN 28 Cb 1.06 -0.64 -0.13 0.00 -2.08 0.00 0.00 39.78 37.99 2dax n ASN 28 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2dax n GLU 29 N -1.01 0.71 -3.86 -3.83 1.02 -1.26 -4.53 120.64 107.89 2dax n GLU 29 Ca 0.42 0.25 -0.12 0.00 -0.02 0.00 0.00 57.16 57.69 2dax n GLU 29 Cb 1.01 -1.65 -0.13 0.00 -0.02 0.00 0.00 31.44 30.64 2dax n GLU 29 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dax s LEU 30 N -6.97 1.76 -0.11 -4.62 0.20 -1.26 0.61 118.68 108.30 2dax s LEU 30 Ca -0.27 0.09 -0.02 0.00 0.69 0.00 0.00 54.13 54.62 2dax s LEU 30 Cb 0.07 0.24 0.04 0.00 -0.43 0.00 0.00 46.19 46.11 2dax s LEU 30 CO 0.70 -0.05 0.01 -0.63 -0.29 0.00 0.00 176.35 176.09 2dax s ILE 31 N -0.09 0.45 -0.76 6.68 1.09 0.08 -4.97 121.20 123.67 2dax s ILE 31 Ca -0.01 -0.10 -0.19 0.00 -1.10 0.00 0.00 60.65 59.25 2dax s ILE 31 Cb -0.01 -0.70 0.12 0.00 -1.06 0.00 0.00 42.46 40.81 2dax s ILE 31 CO 0.00 0.13 0.92 -0.69 -0.10 0.00 0.00 174.94 175.20 2dax s VAL 32 N 1.93 4.80 0.08 2.92 1.01 -1.26 -1.03 120.40 128.85 2dax s VAL 32 Ca 0.03 -1.30 -0.31 0.00 0.00 0.00 0.00 61.98 60.40 2dax s VAL 32 Cb -0.14 -4.63 -0.16 0.00 0.00 0.00 0.00 36.38 31.45 2dax s VAL 32 CO -0.06 -1.32 1.63 0.78 0.00 0.00 0.00 175.10 176.12 2dax h ASN 33 N 8.94 -0.80 -2.96 3.32 4.21 -1.90 -3.38 115.58 123.01 2dax h ASN 33 Ca -0.07 0.05 -0.55 0.00 1.21 0.00 0.00 56.30 56.95 2dax h ASN 33 Cb 1.05 0.24 -0.07 0.00 -1.12 0.00 0.00 38.32 38.43 2dax h ASN 33 CO 1.07 -0.48 1.04 -1.81 -1.29 0.00 0.00 177.43 175.96 2dax s ASP 34 N -4.55 6.27 -0.15 5.81 1.11 -0.80 -4.83 116.67 119.53 2dax s ASP 34 Ca -0.17 0.16 0.03 0.00 0.18 0.00 0.00 52.55 52.76 2dax s ASP 34 Cb 0.05 -2.55 -0.23 0.00 1.07 0.00 0.00 42.92 41.26 2dax s ASP 34 CO 0.63 -1.62 0.22 0.00 1.18 0.00 0.00 175.17 175.58 2dax n GLN 35 N 8.61 0.69 -0.15 8.23 3.00 -1.26 -4.35 117.38 132.15 2dax n GLN 35 Ca 0.10 0.20 -0.08 0.00 -0.01 0.00 0.00 57.00 57.21 2dax n GLN 35 Cb 0.49 -1.65 0.01 0.00 0.00 0.00 0.00 30.24 29.09 2dax n GLN 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2dax h LEU 36 N 0.03 0.56 -0.98 1.08 6.46 -1.96 -2.45 115.31 118.04 2dax h LEU 36 Ca -0.46 -0.08 0.28 0.00 -0.12 0.00 0.00 57.88 57.50 2dax h LEU 36 Cb 2.03 -0.14 -0.14 0.00 -0.73 0.00 0.00 40.66 41.68 2dax h LEU 36 CO 0.03 0.48 0.53 0.00 -0.62 0.00 0.00 178.44 178.86 2dax h ALA 37 N 1.10 1.78 -0.03 1.25 0.00 -1.82 -0.08 119.26 121.46 2dax h ALA 37 Ca 0.16 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2dax h ALA 37 Cb 0.04 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2dax h ALA 37 CO -0.03 -0.44 -0.12 0.28 0.00 0.00 0.00 179.25 178.95 2dax h VAL 38 N 0.40 1.47 -0.69 0.00 2.07 -1.66 -3.02 116.25 114.83 2dax h VAL 38 Ca 0.67 -1.57 0.15 0.00 0.82 0.00 0.00 66.70 66.76 2dax h VAL 38 Cb 1.41 2.43 -0.12 0.00 -1.52 0.00 0.00 31.29 33.49 2dax h VAL 38 CO -0.56 0.43 -0.05 0.00 0.02 0.00 0.00 177.57 177.40 2dax h ALA 39 N 0.40 0.62 -0.26 1.67 0.00 -0.61 -0.15 119.26 120.93 2dax h ALA 39 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2dax h ALA 39 Cb 0.76 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2dax h ALA 39 CO 0.02 -0.42 0.16 0.93 0.00 0.00 0.00 179.25 179.95 2dax h GLU 40 N 0.07 0.34 -0.71 0.00 5.08 -1.35 0.69 114.58 118.70 2dax h GLU 40 Ca 0.36 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.82 2dax h GLU 40 Cb 0.59 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 2dax h GLU 40 CO -0.64 0.25 0.28 1.25 -1.00 0.00 0.00 179.01 179.16 2dax h LEU 41 N 0.33 0.28 0.29 1.33 5.85 -0.93 -0.34 115.31 122.12 2dax h LEU 41 Ca 0.09 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2dax h LEU 41 Cb -0.01 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2dax h LEU 41 CO -0.02 0.13 -0.14 0.11 -0.34 0.00 0.00 178.44 178.18 2dax h LYS 42 N 0.45 -0.38 -1.64 1.25 1.57 -0.92 -2.84 116.57 114.06 2dax h LYS 42 Ca 0.38 0.03 0.50 0.00 -1.87 0.00 0.00 60.65 59.69 2dax h LYS 42 Cb 0.54 0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.83 2dax h LYS 42 CO -0.37 -0.25 1.14 0.22 -0.57 0.00 0.00 179.45 179.62 2dax h ASP 43 N -0.78 0.10 0.29 0.86 3.58 -0.75 0.73 116.42 120.45 2dax h ASP 43 Ca -0.04 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2dax h ASP 43 Cb 0.30 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2dax h ASP 43 CO 0.07 -0.09 -0.14 0.00 -2.88 0.00 0.00 179.24 176.20 2dax h ILE 45 N -0.66 0.60 -0.99 0.00 2.04 -0.79 0.27 117.51 117.99 2dax h ILE 45 Ca -0.04 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.75 2dax h ILE 45 Cb 0.30 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 2dax h ILE 45 CO 0.06 0.05 0.65 -0.33 0.00 0.00 0.00 178.15 178.59 2dax h GLU 46 N 0.26 1.28 -0.03 2.37 5.08 -1.04 -0.21 114.58 122.29 2dax h GLU 46 Ca 0.34 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2dax h GLU 46 Cb 0.53 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2dax h GLU 46 CO -0.43 0.85 0.00 1.63 -1.00 0.00 0.00 179.01 180.05 2dax n LYS 47 N -4.40 1.35 -3.72 2.33 5.02 -0.06 -4.91 118.16 113.77 2dax n LYS 47 Ca 0.12 -0.51 -0.26 0.00 -2.02 0.00 0.00 58.31 55.64 2dax n LYS 47 Cb 0.04 -1.44 0.06 0.00 -0.02 0.00 0.00 35.03 33.66 2dax n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2dax n LYS 48 N -0.35 -6.78 -4.25 1.97 4.76 0.76 -4.98 118.16 109.29 2dax n LYS 48 Ca 0.19 0.73 -0.14 0.00 -2.87 0.00 0.00 58.31 56.23 2dax n LYS 48 Cb 0.22 -5.69 -0.10 0.00 -1.84 0.00 0.00 35.03 27.62 2dax n LYS 48 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2dax s THR 49 N -3.33 0.34 -0.46 -0.18 -1.32 -0.44 -5.01 115.64 105.24 2dax s THR 49 Ca 0.56 -1.98 0.08 0.00 -1.21 0.00 0.00 61.69 59.13 2dax s THR 49 Cb -0.26 -2.43 0.27 0.00 -1.51 0.00 0.00 72.50 68.57 2dax s THR 49 CO 0.77 -0.14 0.64 0.23 -2.21 0.00 0.00 174.62 173.92 2dax n MET 50 N -0.32 1.38 -0.26 7.08 2.81 -1.26 -4.02 117.12 122.53 2dax n MET 50 Ca -0.01 -3.72 0.05 0.00 -1.81 0.00 0.00 57.70 52.21 2dax n MET 50 Cb 0.65 -1.62 0.15 0.00 -0.71 0.00 0.00 33.22 31.69 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 3.79 0.08 0.00 0.03 5.08 -1.95 -3.46 114.58 118.15 2dax h GLU 51 Ca 0.11 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2dax h GLU 51 Cb 0.81 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2dax h GLU 51 CO 0.58 0.05 0.00 0.41 -1.00 0.00 0.00 179.01 179.06 2dax n GLY 52 N -1.44 2.41 3.61 -3.84 0.00 -1.26 -5.06 105.19 99.62 2dax n GLY 52 Ca 0.14 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 2dax n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dax s ARG 53 N -0.69 3.36 -0.22 1.61 0.52 -1.26 -4.82 118.95 117.44 2dax s ARG 53 Ca 0.00 2.07 0.05 0.00 -0.52 0.00 0.00 55.73 57.33 2dax s ARG 53 Cb 0.00 -4.31 -0.20 0.00 0.52 0.00 0.00 34.95 30.96 2dax s ARG 53 CO 0.00 -1.84 -0.07 0.45 0.02 0.00 0.00 175.30 173.86 2dax n SER 54 N 10.68 1.47 -4.59 0.23 2.88 -1.26 -4.88 113.62 118.16 2dax n SER 54 Ca 0.27 -0.05 -0.40 0.00 -1.33 0.00 0.00 58.87 57.36 2dax n SER 54 Cb 0.44 -0.10 -0.08 0.00 -0.75 0.00 0.00 64.21 63.72 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 -6.31 6.31 0.51 -3.46 0.01 -1.26 -5.06 113.70 104.44 2dax s SER 55 Ca -0.27 0.21 -0.22 0.00 1.31 0.00 0.00 55.95 56.99 2dax s SER 55 Cb 0.08 -2.24 -0.06 0.00 0.21 0.00 0.00 66.02 64.01 2dax s SER 55 CO 0.68 -0.30 1.21 -0.54 0.41 0.00 0.00 173.24 174.69 2dax s LYS 56 N 2.21 3.47 -0.69 12.44 1.02 -1.26 -4.64 119.74 132.29 2dax s LYS 56 Ca 0.17 1.86 -0.26 0.00 0.02 0.00 0.00 55.97 57.76 2dax s LYS 56 Cb -0.16 -2.26 -0.01 0.00 -0.52 0.00 0.00 37.83 34.88 2dax s LYS 56 CO 0.11 -0.81 1.72 0.08 -0.92 0.00 0.00 175.35 175.53 2dax s VAL 57 N -1.53 3.47 -0.24 3.17 1.01 -1.23 -4.85 120.40 120.20 2dax s VAL 57 Ca 0.68 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.69 2dax s VAL 57 Cb -0.31 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 2dax s VAL 57 CO 0.36 -1.17 0.22 -0.47 0.00 0.00 0.00 175.10 174.03 2dax s TYR 58 N 8.27 3.31 -0.22 5.22 5.04 -1.26 -3.07 117.35 134.63 2dax s TYR 58 Ca 0.59 0.29 -0.15 0.00 -2.44 0.00 0.00 57.07 55.36 2dax s TYR 58 Cb -0.10 -2.34 0.06 0.00 0.35 0.00 0.00 41.96 39.93 2dax s TYR 58 CO 0.16 0.01 0.56 -0.59 -1.34 0.00 0.00 175.55 174.35 2dax s PHE 59 N 1.24 -0.76 0.08 4.97 -0.71 -1.07 -1.91 117.98 119.81 2dax s PHE 59 Ca 0.10 1.65 0.02 0.00 -1.04 0.00 0.00 56.93 57.66 2dax s PHE 59 Cb -0.14 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 41.99 2dax s PHE 59 CO 0.06 -0.39 0.14 0.99 -1.34 0.00 0.00 175.22 174.69 2dax s THR 60 N 1.06 4.88 -0.14 -4.49 2.01 -0.19 -2.09 115.64 116.67 2dax s THR 60 Ca -0.06 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.30 2dax s THR 60 Cb -0.06 -3.38 0.02 0.00 0.01 0.00 0.00 72.50 69.09 2dax s THR 60 CO -0.10 0.10 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.14 2dax s ILE 61 N -1.48 1.67 -0.43 1.82 1.01 -1.12 -0.74 121.20 121.93 2dax s ILE 61 Ca 0.32 -0.72 -0.19 0.00 0.00 0.00 0.00 60.65 60.06 2dax s ILE 61 Cb -0.12 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.84 2dax s ILE 61 CO 0.25 0.48 0.54 0.20 0.00 0.00 0.00 174.94 176.40 2dax s ASN 62 N 1.22 6.25 -0.30 3.58 0.01 0.20 -2.17 114.94 123.73 2dax s ASN 62 Ca -0.00 -0.55 -0.05 0.00 -0.71 0.00 0.00 52.86 51.55 2dax s ASN 62 Cb -0.14 -2.27 0.03 0.00 0.41 0.00 0.00 41.25 39.28 2dax s ASN 62 CO -0.07 -0.69 0.05 -0.04 -1.51 0.00 0.00 177.10 174.84 2dax s MET 63 N 2.46 2.81 -0.41 -0.60 -1.94 -0.94 -4.49 119.30 116.19 2dax s MET 63 Ca 0.17 -1.03 -0.23 0.00 -1.71 0.00 0.00 55.69 52.89 2dax s MET 63 Cb -0.16 -3.29 0.02 0.00 2.01 0.00 0.00 34.83 33.41 2dax s MET 63 CO 0.16 -0.52 0.78 0.54 -0.01 0.00 0.00 175.02 175.97 2dax s ASN 64 N 1.40 6.47 0.11 3.03 4.22 -1.26 -2.26 114.94 126.65 2dax s ASN 64 Ca -0.00 0.08 0.04 0.00 -2.14 0.00 0.00 52.86 50.84 2dax s ASN 64 Cb -0.18 -2.39 -0.04 0.00 1.28 0.00 0.00 41.25 39.92 2dax s ASN 64 CO 0.01 -0.84 -0.11 -0.76 -2.04 0.00 0.00 177.10 173.36 2dax s LEU 65 N 3.21 2.42 -0.27 3.54 1.43 -1.17 -4.98 118.68 122.87 2dax s LEU 65 Ca 0.30 -0.84 -0.27 0.00 -1.03 0.00 0.00 54.13 52.29 2dax s LEU 65 Cb -0.13 -0.37 0.01 0.00 0.03 0.00 0.00 46.19 45.73 2dax s LEU 65 CO 0.20 -0.24 0.96 1.51 0.23 0.00 0.00 176.35 179.01 2dax s ASP 66 N -2.54 6.93 -0.21 2.29 -4.77 -1.26 -1.83 116.67 115.27 2dax s ASP 66 Ca 0.08 1.11 -0.19 0.00 -3.30 0.00 0.00 52.55 50.24 2dax s ASP 66 Cb -0.03 -2.50 -0.16 0.00 -1.09 0.00 0.00 42.92 39.15 2dax s ASP 66 CO 0.01 -0.68 0.07 1.33 0.70 0.00 0.00 175.17 176.60 2dax n VAL 67 N 5.48 1.52 -3.93 2.11 0.24 -0.95 -4.95 118.33 117.84 2dax n VAL 67 Ca 0.09 -0.06 0.01 0.00 -2.04 0.00 0.00 64.34 62.35 2dax n VAL 67 Cb 0.47 -2.06 0.01 0.00 -1.47 0.00 0.00 33.84 30.80 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 -6.84 -0.00 -1.47 -1.34 1.04 -1.24 -5.01 113.70 98.84 2dax s SER 68 Ca -0.29 -0.31 -0.04 0.00 0.48 0.00 0.00 55.95 55.79 2dax s SER 68 Cb 0.07 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.45 2dax s SER 68 CO 0.53 -0.46 0.48 0.47 0.98 0.00 0.00 173.24 175.25 2dax n ASP 69 N -1.06 -0.94 -2.15 7.02 8.00 -1.26 0.18 116.55 126.35 2dax n ASP 69 Ca 0.01 -1.01 -0.03 0.00 0.71 0.00 0.00 54.79 54.47 2dax n ASP 69 Cb 0.59 -2.97 -0.00 0.00 -0.02 0.00 0.00 41.12 38.72 2dax n ASP 69 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2dax n GLU 70 N -4.42 -2.39 -4.73 -1.24 1.02 -1.26 -4.86 120.64 102.76 2dax n GLU 70 Ca -0.23 0.15 -0.33 0.00 -0.02 0.00 0.00 57.16 56.73 2dax n GLU 70 Cb 0.65 -4.57 -0.07 0.00 -0.02 0.00 0.00 31.44 27.43 2dax n GLU 70 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2dax s LYS 71 N -4.34 2.22 0.15 3.49 1.02 0.13 -5.07 119.74 117.34 2dax s LYS 71 Ca 0.00 -2.41 -0.09 0.00 0.02 0.00 0.00 55.97 53.49 2dax s LYS 71 Cb 0.00 -1.55 -0.01 0.00 -0.52 0.00 0.00 37.83 35.75 2dax s LYS 71 CO 0.00 -0.40 0.26 0.00 -0.92 0.00 0.00 175.35 174.29 2dax s MET 72 N -3.91 1.11 0.35 1.68 0.23 -1.26 -2.25 119.30 115.24 2dax s MET 72 Ca 0.04 -1.15 0.04 0.00 -1.03 0.00 0.00 55.69 53.59 2dax s MET 72 Cb 0.01 0.37 -0.04 0.00 -1.53 0.00 0.00 34.83 33.64 2dax s MET 72 CO 0.02 -0.40 0.14 0.00 -2.03 0.00 0.00 175.02 172.75 2dax s ALA 73 N -3.96 2.37 -0.29 3.16 0.00 -0.76 -4.88 121.76 117.39 2dax s ALA 73 Ca 0.16 -1.62 -0.08 0.00 0.00 0.00 0.00 51.96 50.42 2dax s ALA 73 Cb 0.04 0.94 -0.00 0.00 0.00 0.00 0.00 23.12 24.09 2dax s ALA 73 CO -0.01 -0.42 0.10 1.41 0.00 0.00 0.00 175.76 176.84 2dax s MET 74 N -3.78 3.26 -0.36 0.00 1.75 -1.26 -3.05 119.30 115.86 2dax s MET 74 Ca 0.32 -0.75 -0.16 0.00 -1.25 0.00 0.00 55.69 53.84 2dax s MET 74 Cb 0.05 -3.43 -0.00 0.00 2.84 0.00 0.00 34.83 34.28 2dax s MET 74 CO 0.16 -0.40 0.40 -0.06 -0.65 0.00 0.00 175.02 174.48 2dax s PHE 75 N 1.56 3.20 -0.36 4.11 0.40 -0.96 -4.65 117.98 121.28 2dax s PHE 75 Ca 0.04 -0.07 -0.18 0.00 -0.60 0.00 0.00 56.93 56.12 2dax s PHE 75 Cb -0.17 -2.76 0.00 0.00 0.51 0.00 0.00 43.02 40.61 2dax s PHE 75 CO 0.04 -0.51 0.53 -1.12 0.70 0.00 0.00 175.22 174.86 2dax s SER 76 N 1.75 6.32 -0.59 1.36 0.01 -0.96 -2.21 113.70 119.38 2dax s SER 76 Ca 0.13 -0.07 -0.11 0.00 1.31 0.00 0.00 55.95 57.22 2dax s SER 76 Cb -0.16 -2.27 0.15 0.00 0.21 0.00 0.00 66.02 63.94 2dax s SER 76 CO 0.12 -0.52 0.49 -0.76 0.41 0.00 0.00 173.24 172.99 2dax s LEU 77 N 2.44 5.98 -0.68 2.44 1.02 -0.92 -1.53 118.68 127.43 2dax s LEU 77 Ca 0.19 -2.22 -0.27 0.00 0.02 0.00 0.00 54.13 51.86 2dax s LEU 77 Cb -0.15 -2.07 0.00 0.00 0.02 0.00 0.00 46.19 43.99 2dax s LEU 77 CO 0.14 -0.65 1.57 0.00 0.02 0.00 0.00 176.35 177.42 2dax s ALA 78 N 0.91 2.46 -0.12 4.21 0.00 -0.36 -2.78 121.76 126.08 2dax s ALA 78 Ca 0.10 -1.02 -0.09 0.00 0.00 0.00 0.00 51.96 50.95 2dax s ALA 78 Cb -0.22 -4.28 -0.04 0.00 0.00 0.00 0.00 23.12 18.57 2dax s ALA 78 CO -0.02 -3.59 0.18 0.00 0.00 0.00 0.00 175.76 172.33 2dax s ILE 80 N -0.66 0.02 -0.35 0.00 1.01 -1.25 -2.60 121.20 117.35 2dax s ILE 80 Ca 0.15 -0.01 -0.19 0.00 0.00 0.00 0.00 60.65 60.59 2dax s ILE 80 Cb -0.12 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.85 2dax s ILE 80 CO 0.04 -0.09 0.58 -0.76 0.00 0.00 0.00 174.94 174.70 2dax s LEU 81 N 2.10 4.31 0.00 2.97 1.43 -1.18 -2.22 118.68 126.09 2dax s LEU 81 Ca 0.03 0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 2dax s LEU 81 Cb -0.15 -2.69 0.09 0.00 0.03 0.00 0.00 46.19 43.47 2dax s LEU 81 CO -0.07 -0.55 0.31 -0.81 0.23 0.00 0.00 176.35 175.46 2dax n PRO 82 N 5.91 -1.62 0.04 1.29 -0.04 -1.26 -3.49 135.00 135.82 2dax n PRO 82 Ca -0.03 -0.49 0.12 0.00 -0.04 0.00 0.00 63.50 63.06 2dax n PRO 82 Cb 0.49 -0.46 0.24 0.00 -0.04 0.00 0.00 33.50 33.73 2dax n PRO 82 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2dax n PHE 83 N -3.17 0.33 -0.07 0.54 3.72 -1.26 -4.11 117.46 113.44 2dax n PHE 83 Ca 0.04 0.10 -0.12 0.00 -0.05 0.00 0.00 57.45 57.42 2dax n PHE 83 Cb 0.16 -0.51 -0.11 0.00 -0.94 0.00 0.00 39.48 38.08 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 0.00 -1.89 -1.08 1.79 -1.93 -3.47 116.57 109.99 2dax h LYS 84 Ca 0.00 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 2dax h LYS 84 Cb 0.64 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.33 2dax h LYS 84 CO 0.00 0.86 -0.19 0.98 -1.08 0.00 0.00 179.45 180.02 2dax n TYR 85 N -4.63 -0.23 0.44 -1.35 9.36 -1.24 -1.71 117.16 117.79 2dax n TYR 85 Ca -0.09 0.29 0.09 0.00 3.32 0.00 0.00 57.90 61.52 2dax n TYR 85 Cb 0.41 -0.61 0.40 0.00 -0.63 0.00 0.00 39.34 38.92 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 0.33 0.10 0.00 2.98 -0.04 -1.26 -4.85 135.00 132.26 2dax n PRO 86 Ca 0.05 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2dax n PRO 86 Cb 0.09 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 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 -1.64 0.00 -2.62 0.55 0.00 -0.69 -4.01 120.51 112.10 2dax n ALA 87 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.09 2dax n ALA 87 Cb 0.20 0.27 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.31 5.32 1.00 0.00 -7.23 -1.26 -4.63 120.40 111.28 2dax s VAL 88 Ca 0.00 0.22 -0.18 0.00 -1.81 0.00 0.00 61.98 60.22 2dax s VAL 88 Cb 0.00 -3.54 -0.11 0.00 0.56 0.00 0.00 36.38 33.29 2dax s VAL 88 CO 0.00 0.28 -0.64 0.18 -0.31 0.00 0.00 175.10 174.61 2dax n LEU 89 N 4.76 -4.37 0.00 1.32 4.77 -1.26 -3.62 117.00 118.61 2dax n LEU 89 Ca -0.14 0.17 -0.16 0.00 -0.03 0.00 0.00 56.01 55.85 2dax n LEU 89 Cb 0.52 -0.82 0.13 0.00 -2.33 0.00 0.00 43.42 40.92 2dax n LEU 89 CO 0.34 -4.98 0.32 -0.81 -1.33 0.00 0.00 177.39 170.93 2dax n PRO 90 N 1.50 -2.16 -3.04 3.23 -0.04 -1.26 -4.83 135.00 128.39 2dax n PRO 90 Ca -0.00 -0.93 -0.23 0.00 -0.04 0.00 0.00 63.50 62.30 2dax n PRO 90 Cb 0.59 -0.87 -0.04 0.00 -0.04 0.00 0.00 33.50 33.14 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 -3.29 2.31 -2.06 0.54 -0.58 -0.94 -4.99 120.64 111.63 2dax n GLU 91 Ca 0.08 -4.25 -0.41 0.00 -0.42 0.00 0.00 57.16 52.15 2dax n GLU 91 Cb 0.31 -2.02 -0.03 0.00 -0.57 0.00 0.00 31.44 29.14 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 -3.64 2.83 -0.30 -3.67 1.01 -1.26 -3.96 121.20 112.20 2dax s ILE 92 Ca 0.45 0.67 0.01 0.00 0.00 0.00 0.00 60.65 61.78 2dax s ILE 92 Cb 0.31 -3.43 0.09 0.00 0.01 0.00 0.00 42.46 39.44 2dax s ILE 92 CO -0.12 0.09 0.06 -0.89 0.00 0.00 0.00 174.94 174.09 2dax s THR 93 N 0.24 1.44 0.25 2.92 2.01 0.12 -4.95 115.64 117.67 2dax s THR 93 Ca 0.60 -1.66 -0.30 0.00 0.31 0.00 0.00 61.69 60.64 2dax s THR 93 Cb -0.40 -2.01 -0.09 0.00 0.01 0.00 0.00 72.50 70.00 2dax s THR 93 CO 0.40 -0.55 0.98 -0.69 -0.69 0.00 0.00 174.62 174.08 2dax s VAL 94 N 1.35 3.93 0.08 3.82 1.01 -1.26 -1.23 120.40 128.10 2dax s VAL 94 Ca 0.07 1.93 -0.10 0.00 0.00 0.00 0.00 61.98 63.89 2dax s VAL 94 Cb -0.18 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 31.97 2dax s VAL 94 CO -0.16 0.46 0.21 0.00 0.00 0.00 0.00 175.10 175.61 2dax s ARG 95 N -1.21 0.83 -0.04 2.72 1.70 -0.58 -4.91 118.95 117.45 2dax s ARG 95 Ca 0.42 -0.85 -0.29 0.00 -0.47 0.00 0.00 55.73 54.54 2dax s ARG 95 Cb -0.28 0.34 0.09 0.00 -0.57 0.00 0.00 34.95 34.54 2dax s ARG 95 CO 0.34 -0.26 0.78 0.45 -1.08 0.00 0.00 175.30 175.53 2dax s SER 96 N -2.65 -0.53 0.00 -2.89 0.15 -1.26 -2.27 113.70 104.25 2dax s SER 96 Ca 0.02 0.42 0.29 0.00 0.70 0.00 0.00 55.95 57.38 2dax s SER 96 Cb 0.03 0.46 1.34 0.00 -1.71 0.00 0.00 66.02 66.15 2dax s SER 96 CO -0.09 -0.59 1.96 1.33 1.20 0.00 0.00 173.24 177.05 2dax n VAL 97 N 0.51 0.04 -0.11 4.45 0.24 -1.26 -3.63 118.33 118.57 2dax n VAL 97 Ca -0.15 0.01 -0.22 0.00 -2.04 0.00 0.00 64.34 61.94 2dax n VAL 97 Cb 0.59 -0.52 -0.12 0.00 -1.47 0.00 0.00 33.84 32.32 2dax n VAL 97 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2dax n LEU 98 N -1.39 2.58 -4.76 1.34 4.77 -1.26 -4.95 117.00 113.33 2dax n LEU 98 Ca 0.10 0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.76 2dax n LEU 98 Cb 0.28 -0.93 -0.04 0.00 -2.33 0.00 0.00 43.42 40.41 2dax n LEU 98 CO 0.24 0.78 0.84 -0.76 -1.33 0.00 0.00 177.39 177.17 2dax s LEU 99 N -6.96 4.51 0.49 2.23 1.43 -1.24 -4.86 118.68 114.29 2dax s LEU 99 Ca -0.33 2.35 -0.18 0.00 -1.03 0.00 0.00 54.13 54.94 2dax s LEU 99 Cb 0.10 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.60 2dax s LEU 99 CO 0.60 -0.26 0.98 -0.94 0.23 0.00 0.00 176.35 176.96 2dax s SER 100 N -0.64 6.70 0.57 2.29 1.04 -1.26 -4.71 113.70 117.69 2dax s SER 100 Ca 0.47 1.60 0.32 0.00 0.48 0.00 0.00 55.95 58.81 2dax s SER 100 Cb -0.34 -2.51 1.45 0.00 0.10 0.00 0.00 66.02 64.72 2dax s SER 100 CO 0.43 -0.53 1.81 0.03 0.98 0.00 0.00 173.24 175.95 2dax h ARG 101 N 1.16 0.00 0.02 4.02 -0.00 -1.95 0.09 114.38 117.72 2dax h ARG 101 Ca -0.47 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.01 2dax h ARG 101 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.15 2dax h ARG 101 CO 0.61 0.00 -0.01 0.77 0.00 0.00 0.00 179.97 181.34 2dax h SER 102 N 0.00 -0.02 -0.31 7.04 0.02 -2.01 -3.20 113.55 115.07 2dax h SER 102 Ca 0.40 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.41 2dax h SER 102 Cb 1.81 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 64.27 2dax h SER 102 CO -0.00 0.24 -0.41 1.56 -1.14 0.00 0.00 176.83 177.08 2dax h GLN 103 N -0.55 -0.36 -0.75 3.45 4.20 -1.81 -1.52 115.11 117.79 2dax h GLN 103 Ca -0.00 0.02 0.14 0.00 0.06 0.00 0.00 58.65 58.87 2dax h GLN 103 Cb 0.02 0.08 -0.14 0.00 0.30 0.00 0.00 27.48 27.74 2dax h GLN 103 CO 0.00 -0.24 -0.28 0.37 -0.67 0.00 0.00 178.83 178.02 2dax h GLN 104 N -0.37 -0.06 -0.94 1.46 5.75 -1.18 0.89 115.11 120.66 2dax h GLN 104 Ca 0.12 0.00 0.21 0.00 -0.15 0.00 0.00 58.65 58.83 2dax h GLN 104 Cb 0.59 0.01 -0.18 0.00 1.07 0.00 0.00 27.48 28.97 2dax h GLN 104 CO -0.51 -0.04 -0.17 1.15 -2.65 0.00 0.00 178.83 176.61 2dax h THR 105 N -0.06 0.06 0.44 2.39 2.02 -1.26 -0.86 112.91 115.63 2dax h THR 105 Ca 0.32 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.48 2dax h THR 105 Cb 0.57 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2dax h THR 105 CO -0.79 0.00 -0.36 -0.61 0.37 0.00 0.00 175.52 174.13 2dax h GLN 106 N 0.01 -0.74 -1.42 6.66 5.75 -0.77 -1.59 115.11 123.02 2dax h GLN 106 Ca 0.48 0.05 0.47 0.00 -0.15 0.00 0.00 58.65 59.50 2dax h GLN 106 Cb 0.80 0.17 -0.13 0.00 1.07 0.00 0.00 27.48 29.40 2dax h GLN 106 CO -0.95 -0.49 0.93 1.25 -2.65 0.00 0.00 178.83 176.92 2dax h LEU 107 N -0.77 0.20 0.52 -2.39 6.46 -1.04 0.99 115.31 119.28 2dax h LEU 107 Ca -0.06 0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 2dax h LEU 107 Cb 0.65 0.12 0.01 0.00 -0.73 0.00 0.00 40.66 40.70 2dax h LEU 107 CO 0.00 -0.19 -0.25 0.78 -0.62 0.00 0.00 178.44 178.16 2dax h ASN 108 N 0.04 -0.59 -1.51 1.25 2.35 -0.65 0.32 115.58 116.80 2dax h ASN 108 Ca 0.85 0.02 0.44 0.00 -0.55 0.00 0.00 56.30 57.06 2dax h ASN 108 Cb 2.80 0.15 -0.07 0.00 0.05 0.00 0.00 38.32 41.25 2dax h ASN 108 CO -0.39 -0.18 1.07 0.74 -1.65 0.00 0.00 177.43 177.02 2dax h THR 109 N -1.19 0.22 0.03 2.81 2.02 0.11 0.66 112.91 117.57 2dax h THR 109 Ca -0.07 -0.01 -0.24 0.00 0.77 0.00 0.00 66.41 66.86 2dax h THR 109 Cb 0.54 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 2dax h THR 109 CO 0.12 0.01 -1.28 0.44 0.37 0.00 0.00 175.52 175.18 2dax h ASP 110 N 0.03 0.10 -0.82 4.18 3.32 -1.33 -3.32 116.42 118.58 2dax h ASP 110 Ca 0.75 -0.65 0.23 0.00 0.02 0.00 0.00 57.03 57.38 2dax h ASP 110 Cb 2.86 -0.03 -0.15 0.00 0.22 0.00 0.00 39.33 42.22 2dax h ASP 110 CO -0.08 1.52 0.04 -0.11 -1.72 0.00 0.00 179.24 178.89 2dax n LEU 111 N -4.26 -0.08 0.29 1.55 7.94 0.11 -0.53 117.00 122.03 2dax n LEU 111 Ca -0.30 1.40 -0.12 0.00 -1.11 0.00 0.00 56.01 55.88 2dax n LEU 111 Cb 0.74 -0.52 -0.06 0.00 0.53 0.00 0.00 43.42 44.12 2dax n LEU 111 CO 0.26 -1.42 0.32 0.74 -1.11 0.00 0.00 177.39 176.18 2dax h THR 112 N 0.00 0.02 -0.70 1.96 2.02 -1.66 -3.23 112.91 111.32 2dax h THR 112 Ca 0.51 -0.42 0.20 0.00 0.77 0.00 0.00 66.41 67.47 2dax h THR 112 Cb 1.06 0.03 -0.13 0.00 -1.74 0.00 0.00 68.15 67.37 2dax h THR 112 CO -0.77 0.00 0.03 0.00 0.37 0.00 0.00 175.52 175.16 2dax n ALA 113 N -2.72 0.38 0.07 6.16 0.00 0.31 0.23 120.51 124.95 2dax n ALA 113 Ca -0.10 0.75 -0.09 0.00 0.00 0.00 0.00 53.44 54.00 2dax n ALA 113 Cb 0.32 -0.56 -0.05 0.00 0.00 0.00 0.00 19.45 19.16 2dax n ALA 113 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2dax h PHE 114 N 0.00 -0.78 0.00 0.00 3.57 -1.39 1.50 116.94 119.84 2dax h PHE 114 Ca 0.43 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.93 2dax h PHE 114 Cb 0.91 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.98 2dax h PHE 114 CO -0.34 -0.31 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.26 2dax h LEU 115 N -0.41 0.00 0.00 0.59 3.38 -0.62 -1.50 115.31 116.75 2dax h LEU 115 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2dax h LEU 115 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2dax h LEU 115 CO -0.13 0.10 -0.42 -0.61 0.09 0.00 0.00 178.44 177.47 2dax h GLN 116 N 0.00 0.00 0.37 1.13 5.75 0.75 0.44 115.11 123.55 2dax h GLN 116 Ca -0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2dax h GLN 116 Cb 0.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.83 2dax h GLN 116 CO 0.01 0.37 -0.18 -0.22 -2.65 0.00 0.00 178.83 176.16 2dax h LYS 117 N 0.00 -0.48 0.00 1.69 1.63 0.32 -3.36 116.57 116.37 2dax h LYS 117 Ca -0.01 0.03 -0.25 0.00 -0.85 0.00 0.00 60.65 59.57 2dax h LYS 117 Cb 1.30 0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 33.00 2dax h LYS 117 CO 0.05 -0.17 -1.78 -2.39 -3.45 0.00 0.00 179.45 171.72 2dax n HIS 118 N -5.15 0.00 -0.84 1.91 1.44 -1.17 -4.60 115.22 106.81 2dax n HIS 118 Ca -0.09 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.47 2dax n HIS 118 Cb 0.28 -0.69 -0.11 0.00 0.12 0.00 0.00 29.99 29.60 2dax n HIS 118 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2dax s HIS 120 N 1.78 2.17 0.00 0.00 5.04 -1.06 -4.07 115.29 119.15 2dax s HIS 120 Ca 0.53 -0.07 0.00 0.00 -1.54 0.00 0.00 55.06 53.98 2dax s HIS 120 Cb 0.22 -4.43 0.00 0.00 0.04 0.00 0.00 32.58 28.41 2dax s HIS 120 CO -0.01 -1.98 0.00 0.41 -2.34 0.00 0.00 174.74 170.82 2dax n GLY 121 N 6.38 2.71 3.18 1.59 0.00 -1.26 -5.03 105.19 112.76 2dax n GLY 121 Ca 0.26 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 2dax n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dax n ASP 122 N 2.58 -3.18 -4.61 1.61 8.00 -1.26 -4.47 116.55 115.23 2dax n ASP 122 Ca 0.00 0.72 -0.43 0.00 0.71 0.00 0.00 54.79 55.79 2dax n ASP 122 Cb 0.00 -0.84 -0.02 0.00 -0.02 0.00 0.00 41.12 40.23 2dax n ASP 122 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2dax s VAL 123 N -1.79 4.32 -0.30 2.53 -7.23 -1.26 -4.96 120.40 111.72 2dax s VAL 123 Ca 0.57 1.30 0.00 0.00 -1.81 0.00 0.00 61.98 62.03 2dax s VAL 123 Cb -0.55 -4.53 0.19 0.00 0.56 0.00 0.00 36.38 32.05 2dax s VAL 123 CO 0.63 -0.85 0.66 0.00 -0.31 0.00 0.00 175.10 175.23 2dax n ILE 125 N 5.41 1.48 0.40 0.00 2.08 -1.26 -4.48 119.36 123.00 2dax n ILE 125 Ca 0.01 -0.82 -0.19 0.00 0.56 0.00 0.00 62.75 62.32 2dax n ILE 125 Cb 0.53 -0.74 -0.09 0.00 -0.75 0.00 0.00 39.64 38.58 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 0.00 -0.87 -1.56 1.39 3.38 -1.99 -2.33 115.31 113.34 2dax h LEU 126 Ca -0.45 0.03 0.45 0.00 0.09 0.00 0.00 57.88 58.00 2dax h LEU 126 Cb 2.15 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 43.06 2dax h LEU 126 CO 0.04 -0.61 1.17 0.59 0.09 0.00 0.00 178.44 179.72 2dax n ASN 127 N -5.52 0.00 0.15 -0.43 4.13 -1.26 0.79 115.26 113.11 2dax n ASN 127 Ca -0.14 0.80 -0.10 0.00 1.68 0.00 0.00 54.58 56.82 2dax n ASN 127 Cb 0.41 -0.39 -0.06 0.00 -1.54 0.00 0.00 39.78 38.20 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 0.78 -0.44 0.22 5.41 0.00 -1.66 -2.86 119.26 120.72 2dax h ALA 128 Ca 0.74 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.49 2dax h ALA 128 Cb 3.07 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 21.00 2dax h ALA 128 CO -0.01 -0.47 -0.33 1.79 0.00 0.00 0.00 179.25 180.24 2dax h THR 129 N -1.00 0.31 -0.27 0.00 1.35 0.38 -0.12 112.91 113.55 2dax h THR 129 Ca -0.04 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.89 2dax h THR 129 Cb 0.49 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.20 2dax h THR 129 CO 0.07 0.00 0.43 -0.33 -0.25 0.00 0.00 175.52 175.44 2dax h GLU 130 N -0.62 0.00 0.00 4.72 5.08 -1.49 0.81 114.58 123.07 2dax h GLU 130 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2dax h GLU 130 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2dax h GLU 130 CO -0.13 0.00 -0.88 2.35 -1.00 0.00 0.00 179.01 179.35 2dax h TRP 131 N 0.00 0.00 0.00 4.33 7.01 -0.84 -3.34 115.95 123.11 2dax h TRP 131 Ca 0.13 0.00 -0.11 0.00 2.11 0.00 0.00 58.89 61.02 2dax h TRP 131 Cb 0.99 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.03 2dax h TRP 131 CO 0.00 0.06 -0.66 0.28 -2.79 0.00 0.00 178.44 175.33 2dax h VAL 132 N 0.00 1.02 -0.82 2.65 2.07 0.21 -2.57 116.25 118.81 2dax h VAL 132 Ca -0.01 -2.00 0.24 0.00 0.82 0.00 0.00 66.70 65.74 2dax h VAL 132 Cb 1.06 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.96 2dax h VAL 132 CO 0.01 0.35 0.67 0.08 0.02 0.00 0.00 177.57 178.69 2dax h ARG 133 N -1.00 0.00 0.00 1.57 0.11 -1.22 1.05 114.38 114.89 2dax h ARG 133 Ca -0.17 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.74 2dax h ARG 133 Cb 1.01 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.06 2dax h ARG 133 CO -0.10 0.00 -0.98 1.49 0.10 0.00 0.00 179.97 180.48 2dax h GLU 134 N 0.00 0.00 0.56 0.08 4.81 -1.69 -3.36 114.58 114.98 2dax h GLU 134 Ca 0.39 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.59 2dax h GLU 134 Cb 1.72 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.11 2dax h GLU 134 CO -0.00 0.96 -0.27 0.45 -0.73 0.00 0.00 179.01 179.42 2dax h HIS 135 N -1.00 -0.69 -0.43 0.92 3.86 -0.87 -3.32 115.15 113.63 2dax h HIS 135 Ca -0.27 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 58.96 2dax h HIS 135 Cb 1.21 0.23 -0.05 0.00 1.06 0.00 0.00 27.41 29.86 2dax h HIS 135 CO 0.12 -0.39 -0.25 0.00 0.86 0.00 0.00 177.93 178.28 2dax n ALA 136 N -2.67 -0.27 -0.29 2.45 0.00 0.35 0.13 120.51 120.22 2dax n ALA 136 Ca -0.10 0.36 0.17 0.00 0.00 0.00 0.00 53.44 53.87 2dax n ALA 136 Cb 0.32 0.08 0.33 0.00 0.00 0.00 0.00 19.45 20.18 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 -4.02 0.03 0.07 0.00 3.41 -1.25 0.70 113.62 112.56 2dax n SER 137 Ca 0.01 1.44 -0.13 0.00 -0.26 0.00 0.00 58.87 59.94 2dax n SER 137 Cb 0.11 -0.58 -0.07 0.00 -0.26 0.00 0.00 64.21 63.41 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 -0.10 0.99 5.00 0.00 0.10 -3.01 103.07 106.05 2dax h GLY 138 Ca 0.59 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.94 2dax h GLY 138 CO -0.76 -0.04 0.30 -0.97 0.00 0.00 0.00 176.54 175.07 2dax h TYR 139 N -0.13 0.73 0.00 5.60 0.05 0.56 -3.42 116.97 120.36 2dax h TYR 139 Ca -0.01 -0.02 -0.69 0.00 0.05 0.00 0.00 58.73 58.07 2dax h TYR 139 Cb 0.10 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 37.56 2dax h TYR 139 CO -0.06 0.53 1.37 0.28 -1.05 0.00 0.00 178.16 179.23 2dax n VAL 140 N -4.63 0.00 -4.08 -2.88 0.31 0.04 -4.90 118.33 102.20 2dax n VAL 140 Ca 0.03 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.05 2dax n VAL 140 Cb 0.08 -0.48 -0.07 0.00 -0.91 0.00 0.00 33.84 32.46 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 6.42 5.47 0.06 4.52 0.15 -1.26 -5.00 113.70 124.07 2dax s SER 141 Ca 1.19 -0.00 0.03 0.00 0.70 0.00 0.00 55.95 57.87 2dax s SER 141 Cb -1.40 -1.47 -0.04 0.00 -1.71 0.00 0.00 66.02 61.41 2dax s SER 141 CO 0.60 0.19 0.05 -0.60 1.20 0.00 0.00 173.24 174.69 2dax s ARG 142 N -2.23 2.81 -0.28 5.44 3.52 -1.26 -4.95 118.95 121.99 2dax s ARG 142 Ca 0.27 -0.69 -0.16 0.00 -0.13 0.00 0.00 55.73 55.02 2dax s ARG 142 Cb -0.12 -2.69 0.08 0.00 -1.56 0.00 0.00 34.95 30.66 2dax s ARG 142 CO 0.20 0.58 0.71 0.16 -0.81 0.00 0.00 175.30 176.14 2dax s ASP 143 N -2.18 -0.91 -0.07 -2.12 1.47 -1.26 -5.15 116.67 106.44 2dax s ASP 143 Ca 0.26 1.47 -0.16 0.00 1.18 0.00 0.00 52.55 55.30 2dax s ASP 143 Cb -0.12 1.38 -0.05 0.00 -0.34 0.00 0.00 42.92 43.79 2dax s ASP 143 CO 0.19 -0.23 0.43 0.42 0.68 0.00 0.00 175.17 176.66 2dax s THR 144 N 1.56 5.12 -0.69 2.11 -4.23 -1.26 -5.04 115.64 113.22 2dax s THR 144 Ca -0.09 0.87 -0.16 0.00 -1.18 0.00 0.00 61.69 61.13 2dax s THR 144 Cb -0.05 -3.76 0.16 0.00 1.34 0.00 0.00 72.50 70.19 2dax s THR 144 CO -0.19 0.43 0.70 -0.55 -0.54 0.00 0.00 174.62 174.47 2dax s SER 145 N -0.08 6.44 0.19 3.99 0.15 -1.26 -5.04 113.70 118.09 2dax s SER 145 Ca 0.24 -2.06 -0.31 0.00 0.70 0.00 0.00 55.95 54.52 2dax s SER 145 Cb -0.16 -2.25 -0.09 0.00 -1.71 0.00 0.00 66.02 61.81 2dax s SER 145 CO 0.11 -0.83 1.43 -0.44 1.20 0.00 0.00 173.24 174.71 2dax s SER 146 N 3.09 6.72 -0.12 5.45 0.01 -1.26 -5.01 113.70 122.58 2dax s SER 146 Ca 0.13 2.54 0.03 0.00 1.31 0.00 0.00 55.95 59.96 2dax s SER 146 Cb -0.19 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.44 2dax s SER 146 CO -0.02 -0.69 -0.21 -0.44 0.41 0.00 0.00 173.24 172.29 2dax s SER 147 N 0.67 2.95 0.00 2.44 0.01 -1.26 -5.11 113.70 113.41 2dax s SER 147 Ca 0.62 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2dax s SER 147 Cb -0.40 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.47 2dax s SER 147 CO 0.37 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.73 2dax n GLY 148 N 3.86 0.57 3.67 3.44 0.00 -1.26 -5.01 105.19 110.47 2dax n GLY 148 Ca -0.20 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 2dax n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dax s PRO 149 N 0.00 0.37 0.03 1.61 0.04 -1.26 -5.06 135.00 130.74 2dax s PRO 149 Ca 0.00 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.55 2dax s PRO 149 Cb 0.00 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 2dax s PRO 149 CO 0.00 -2.77 0.12 -1.12 0.04 0.00 0.00 177.00 173.27 2dax s SER 150 N -3.45 5.83 0.58 6.66 0.01 -1.26 -5.09 113.70 116.98 2dax s SER 150 Ca 0.65 0.14 -0.18 0.00 1.31 0.00 0.00 55.95 57.87 2dax s SER 150 Cb -0.19 -1.69 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 2dax s SER 150 CO 0.58 0.22 1.14 -0.55 0.41 0.00 0.00 173.24 175.04 2dax s SER 151 N -2.11 5.46 0.00 2.44 0.15 -1.26 -5.33 113.70 113.05 2dax s SER 151 Ca 0.28 2.17 0.19 0.00 0.70 0.00 0.00 55.95 59.28 2dax s SER 151 Cb -0.12 -2.58 1.11 0.00 -1.71 0.00 0.00 66.02 62.72 2dax s SER 151 CO 0.20 -1.40 1.50 0.61 1.20 0.00 0.00 173.24 175.35