#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpt s SER 2 N 0.00 3.75 -0.01 1.61 1.04 -1.26 -5.03 113.70 113.80 2cpt s SER 2 Ca 0.00 -1.44 -0.12 0.00 0.48 0.00 0.00 55.95 54.87 2cpt s SER 2 Cb 0.00 -0.66 -0.07 0.00 0.10 0.00 0.00 66.02 65.39 2cpt s SER 2 CO 0.00 -0.41 0.67 0.28 0.98 0.00 0.00 173.24 174.76 2cpt h SER 3 N 8.21 -0.38 0.00 7.02 0.02 -2.13 -3.49 113.55 122.81 2cpt h SER 3 Ca -0.16 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2cpt h SER 3 Cb 1.02 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2cpt h SER 3 CO 0.45 -0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.65 2cpt n GLY 4 N 0.25 1.66 3.72 -3.77 0.00 -1.26 -5.03 105.19 100.76 2cpt n GLY 4 Ca -0.06 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 2cpt n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cpt s SER 5 N -4.00 7.15 0.21 1.61 0.01 -1.26 -5.06 113.70 112.36 2cpt s SER 5 Ca 0.00 1.39 0.11 0.00 1.31 0.00 0.00 55.95 58.76 2cpt s SER 5 Cb 0.00 -2.47 -0.05 0.00 0.21 0.00 0.00 66.02 63.71 2cpt s SER 5 CO 0.00 -0.14 -0.22 -0.94 0.41 0.00 0.00 173.24 172.35 2cpt s SER 6 N 0.73 3.32 0.00 2.44 1.04 -1.26 -5.07 113.70 114.89 2cpt s SER 6 Ca 0.42 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2cpt s SER 6 Cb -0.19 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.68 2cpt s SER 6 CO 0.22 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.12 2cpt n GLY 7 N 0.06 -0.11 1.16 7.32 0.00 -1.26 -4.86 105.19 107.50 2cpt n GLY 7 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 2cpt n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2cpt n MET 8 N -2.25 1.44 -2.20 1.61 -0.00 -1.26 -4.91 117.12 109.55 2cpt n MET 8 Ca 0.00 -0.69 -0.42 0.00 -0.00 0.00 0.00 57.70 56.60 2cpt n MET 8 Cb 0.00 -1.37 -0.03 0.00 -0.00 0.00 0.00 33.22 31.82 2cpt n MET 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2cpt s SER 9 N 0.31 6.86 0.41 3.17 0.15 -1.26 -4.95 113.70 118.40 2cpt s SER 9 Ca 0.13 2.34 -0.24 0.00 0.70 0.00 0.00 55.95 58.87 2cpt s SER 9 Cb 0.10 -2.59 -0.11 0.00 -1.71 0.00 0.00 66.02 61.71 2cpt s SER 9 CO 0.03 -0.60 0.99 -0.24 1.20 0.00 0.00 173.24 174.62 2cpt n SER 10 N 3.46 1.16 -4.56 5.45 2.88 -1.26 -4.86 113.62 115.90 2cpt n SER 10 Ca 0.09 1.04 -0.42 0.00 -1.33 0.00 0.00 58.87 58.25 2cpt n SER 10 Cb 0.43 -1.34 0.01 0.00 -0.75 0.00 0.00 64.21 62.56 2cpt n SER 10 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2cpt n THR 11 N -0.48 2.28 -1.36 2.46 5.66 -1.26 -4.88 114.28 116.70 2cpt n THR 11 Ca 0.10 -0.50 -0.36 0.00 -3.05 0.00 0.00 64.05 60.23 2cpt n THR 11 Cb 0.39 -0.95 0.07 0.00 -1.55 0.00 0.00 70.33 68.30 2cpt n THR 11 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2cpt n SER 12 N 0.73 -0.14 0.12 1.09 7.64 -1.26 -4.82 113.62 116.98 2cpt n SER 12 Ca 0.10 0.66 -0.02 0.00 1.01 0.00 0.00 58.87 60.63 2cpt n SER 12 Cb 0.39 -1.33 0.22 0.00 -1.01 0.00 0.00 64.21 62.49 2cpt n SER 12 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2cpt h PRO 13 N -0.18 0.15 -0.40 1.43 0.13 -2.00 -2.46 132.00 128.69 2cpt h PRO 13 Ca -0.47 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 64.53 2cpt h PRO 13 Cb 1.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.46 2cpt h PRO 13 CO 0.46 0.60 0.04 -0.91 -0.23 0.00 0.00 178.00 177.95 2cpt h ASN 14 N 0.13 0.65 0.54 1.44 4.21 -1.97 -2.68 115.58 117.89 2cpt h ASN 14 Ca 0.01 -0.28 -0.03 0.00 1.21 0.00 0.00 56.30 57.21 2cpt h ASN 14 Cb 0.88 -0.17 0.01 0.00 -1.12 0.00 0.00 38.32 37.91 2cpt h ASN 14 CO 0.07 0.77 -0.26 0.25 -1.29 0.00 0.00 177.43 176.97 2cpt h LEU 15 N 0.51 -0.61 -0.98 1.61 5.85 -1.86 -3.07 115.31 116.76 2cpt h LEU 15 Ca 0.12 -0.01 0.32 0.00 0.84 0.00 0.00 57.88 59.15 2cpt h LEU 15 Cb 0.41 0.16 -0.18 0.00 0.37 0.00 0.00 40.66 41.42 2cpt h LEU 15 CO 0.01 -0.21 0.24 -0.61 -0.34 0.00 0.00 178.44 177.54 2cpt h GLN 16 N -1.16 0.04 -1.00 1.25 5.75 -1.52 1.17 115.11 119.65 2cpt h GLN 16 Ca -0.07 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.44 2cpt h GLN 16 Cb 0.58 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.07 2cpt h GLN 16 CO 0.12 0.03 0.66 -0.22 -2.65 0.00 0.00 178.83 176.77 2cpt h LYS 17 N 0.04 1.28 -0.26 1.69 3.64 -1.48 -1.36 116.57 120.11 2cpt h LYS 17 Ca 0.68 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 60.00 2cpt h LYS 17 Cb 1.56 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 2cpt h LYS 17 CO -0.83 0.84 0.14 0.00 -2.27 0.00 0.00 179.45 177.33 2cpt h ALA 18 N 1.38 0.32 0.72 5.00 0.00 0.15 0.50 119.26 127.33 2cpt h ALA 18 Ca 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 2cpt h ALA 18 Cb -0.09 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2cpt h ALA 18 CO -0.10 -0.25 -0.35 0.82 0.00 0.00 0.00 179.25 179.38 2cpt h ILE 19 N 0.29 0.17 -0.56 0.00 5.03 -1.05 -1.21 117.51 120.19 2cpt h ILE 19 Ca 0.10 -0.20 0.11 0.00 -0.12 0.00 0.00 64.86 64.76 2cpt h ILE 19 Cb 0.01 0.22 -0.09 0.00 -3.03 0.00 0.00 36.82 33.93 2cpt h ILE 19 CO -0.06 0.02 0.01 -0.78 -0.68 0.00 0.00 178.15 176.65 2cpt h ASP 20 N -1.13 -0.23 0.21 1.72 1.82 -1.23 0.12 116.42 117.69 2cpt h ASP 20 Ca -0.10 0.14 0.01 0.00 -0.39 0.00 0.00 57.03 56.68 2cpt h ASP 20 Cb 0.77 0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.99 2cpt h ASP 20 CO 0.16 -0.09 -0.23 -0.07 -1.61 0.00 0.00 179.24 177.40 2cpt h LEU 21 N 0.12 -0.62 -0.59 2.28 3.38 -0.86 -1.27 115.31 117.74 2cpt h LEU 21 Ca 0.29 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.39 2cpt h LEU 21 Cb 0.45 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 2cpt h LEU 21 CO -0.47 -0.34 0.28 0.00 0.09 0.00 0.00 178.44 178.00 2cpt h ALA 22 N 0.22 0.78 -0.35 1.53 0.00 -0.49 -1.99 119.26 118.95 2cpt h ALA 22 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2cpt h ALA 22 Cb 0.46 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2cpt h ALA 22 CO -0.07 -0.09 0.09 1.03 0.00 0.00 0.00 179.25 180.21 2cpt h SER 23 N 0.52 0.06 -0.33 0.00 0.87 -0.44 -2.47 113.55 111.75 2cpt h SER 23 Ca 0.28 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.93 2cpt h SER 23 Cb 0.25 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 2cpt h SER 23 CO -0.22 0.07 0.10 0.50 -0.53 0.00 0.00 176.83 176.75 2cpt h LYS 24 N 0.22 0.23 -0.77 2.24 3.64 -0.65 -2.98 116.57 118.50 2cpt h LYS 24 Ca 0.16 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.60 2cpt h LYS 24 Cb 0.17 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 31.84 2cpt h LYS 24 CO -0.20 0.15 -0.45 0.00 -2.27 0.00 0.00 179.45 176.68 2cpt n ALA 25 N -2.34 -0.49 -0.21 5.00 0.00 -0.80 -0.61 120.51 121.05 2cpt n ALA 25 Ca 0.01 0.65 -0.06 0.00 0.00 0.00 0.00 53.44 54.04 2cpt n ALA 25 Cb 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.55 2cpt n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cpt h ALA 26 N 0.21 -0.15 -0.77 0.00 0.00 -1.50 -0.87 119.26 116.18 2cpt h ALA 26 Ca 0.12 0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.30 2cpt h ALA 26 Cb 0.32 0.85 -0.13 0.00 0.00 0.00 0.00 17.79 18.83 2cpt h ALA 26 CO -0.72 -0.73 -0.39 1.96 0.00 0.00 0.00 179.25 179.37 2cpt h GLN 27 N -0.19 -0.10 0.11 0.00 4.20 -0.85 0.16 115.11 118.45 2cpt h GLN 27 Ca 0.21 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.95 2cpt h GLN 27 Cb 0.56 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 2cpt h GLN 27 CO -0.69 -0.07 -0.31 0.93 -0.67 0.00 0.00 178.83 178.02 2cpt h GLU 28 N -0.10 -0.51 -0.25 1.46 4.39 -0.64 -1.50 114.58 117.43 2cpt h GLU 28 Ca 0.26 0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.06 2cpt h GLU 28 Cb 0.56 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.26 2cpt h GLU 28 CO -0.82 -0.34 -0.29 0.22 -1.16 0.00 0.00 179.01 176.62 2cpt h ASP 29 N -0.53 -0.93 -1.00 1.42 1.82 -0.37 0.28 116.42 117.12 2cpt h ASP 29 Ca 0.03 0.16 0.19 0.00 -0.39 0.00 0.00 57.03 57.01 2cpt h ASP 29 Cb 0.56 0.42 -0.11 0.00 0.68 0.00 0.00 39.33 40.89 2cpt h ASP 29 CO -0.19 -0.32 0.60 0.50 -1.61 0.00 0.00 179.24 178.23 2cpt h LYS 30 N -0.30 0.74 0.00 0.28 3.64 -0.46 0.24 116.57 120.72 2cpt h LYS 30 Ca 0.13 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.34 2cpt h LYS 30 Cb 0.51 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2cpt h LYS 30 CO -0.42 0.49 -0.60 0.00 -2.27 0.00 0.00 179.45 176.65 2cpt h ALA 31 N 1.64 0.86 0.00 5.00 0.00 -0.03 -3.47 119.26 123.26 2cpt h ALA 31 Ca 0.57 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2cpt h ALA 31 Cb 0.88 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2cpt h ALA 31 CO -0.38 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.03 2cpt n GLY 32 N 0.50 1.60 3.56 0.00 0.00 0.84 -5.08 105.19 106.62 2cpt n GLY 32 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2cpt n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cpt s ASN 33 N -1.01 5.33 -0.15 1.61 0.01 0.16 -4.80 114.94 116.09 2cpt s ASN 33 Ca 0.00 0.64 -0.07 0.00 -0.71 0.00 0.00 52.86 52.73 2cpt s ASN 33 Cb 0.00 -2.53 -0.24 0.00 0.41 0.00 0.00 41.25 38.89 2cpt s ASN 33 CO 0.00 -2.27 0.25 -1.22 -1.51 0.00 0.00 177.10 172.35 2cpt n TYR 34 N 12.50 1.04 -0.11 2.20 4.02 -1.26 -2.50 117.16 133.05 2cpt n TYR 34 Ca 0.23 0.24 -0.09 0.00 -0.01 0.00 0.00 57.90 58.27 2cpt n TYR 34 Cb 0.51 -1.13 -0.01 0.00 -0.02 0.00 0.00 39.34 38.69 2cpt n TYR 34 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2cpt h GLU 35 N -0.04 0.47 -0.31 -0.72 4.81 -1.94 0.40 114.58 117.25 2cpt h GLU 35 Ca -0.45 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 58.65 2cpt h GLU 35 Cb 1.95 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.22 2cpt h GLU 35 CO 0.03 0.33 -0.18 1.49 -0.73 0.00 0.00 179.01 179.95 2cpt h GLU 36 N 0.47 0.67 -0.96 1.92 4.57 -1.97 -3.10 114.58 116.18 2cpt h GLU 36 Ca 0.13 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 2cpt h GLU 36 Cb -0.03 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.50 2cpt h GLU 36 CO -0.03 0.90 0.60 0.00 -1.18 0.00 0.00 179.01 179.31 2cpt h ALA 37 N 0.75 1.26 0.26 2.92 0.00 -1.48 -2.62 119.26 120.36 2cpt h ALA 37 Ca 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2cpt h ALA 37 Cb 0.72 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2cpt h ALA 37 CO 0.05 0.66 -0.35 1.25 0.00 0.00 0.00 179.25 180.86 2cpt h LEU 38 N 1.32 -1.00 -0.35 0.00 5.85 -0.84 0.21 115.31 120.48 2cpt h LEU 38 Ca 0.35 0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.23 2cpt h LEU 38 Cb -0.10 0.34 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 2cpt h LEU 38 CO -0.07 -0.44 -0.33 1.56 -0.34 0.00 0.00 178.44 178.82 2cpt h GLN 39 N -0.64 -0.27 -0.75 1.25 1.08 -1.50 -0.13 115.11 114.15 2cpt h GLN 39 Ca -0.03 0.02 0.12 0.00 -1.45 0.00 0.00 58.65 57.31 2cpt h GLN 39 Cb 0.58 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 27.99 2cpt h GLN 39 CO -0.09 -0.18 0.35 -0.07 -0.95 0.00 0.00 178.83 177.89 2cpt h LEU 40 N -0.28 0.41 -0.22 1.46 3.38 -1.29 0.12 115.31 118.89 2cpt h LEU 40 Ca 0.16 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.22 2cpt h LEU 40 Cb 0.54 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2cpt h LEU 40 CO -0.51 0.20 0.13 1.88 0.09 0.00 0.00 178.44 180.23 2cpt h TYR 41 N 0.55 0.24 0.12 1.13 0.05 0.11 -1.36 116.97 117.81 2cpt h TYR 41 Ca 0.39 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.17 2cpt h TYR 41 Cb 0.51 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.17 2cpt h TYR 41 CO -0.12 0.14 -0.06 1.96 -1.05 0.00 0.00 178.16 179.03 2cpt h GLN 42 N 0.26 -0.16 -0.39 4.88 4.20 -0.16 -3.11 115.11 120.63 2cpt h GLN 42 Ca 0.09 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.89 2cpt h GLN 42 Cb -0.00 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 27.73 2cpt h GLN 42 CO -0.04 0.03 -0.19 0.45 -0.67 0.00 0.00 178.83 178.40 2cpt h HIS 43 N -0.32 -0.48 -0.86 2.96 3.86 -0.68 -1.46 115.15 118.16 2cpt h HIS 43 Ca -0.02 0.04 0.16 0.00 -1.16 0.00 0.00 60.37 59.40 2cpt h HIS 43 Cb 0.26 0.27 -0.16 0.00 1.06 0.00 0.00 27.41 28.84 2cpt h HIS 43 CO -0.02 -0.27 -0.26 0.00 0.86 0.00 0.00 177.93 178.23 2cpt h ALA 44 N 1.15 0.43 -0.21 2.45 0.00 -1.18 0.15 119.26 122.05 2cpt h ALA 44 Ca 0.19 0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 2cpt h ALA 44 Cb 0.42 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2cpt h ALA 44 CO -0.47 -0.47 0.11 0.28 0.00 0.00 0.00 179.25 178.70 2cpt h VAL 45 N -0.02 1.11 -0.58 0.00 2.07 -1.27 -1.11 116.25 116.46 2cpt h VAL 45 Ca 0.39 -0.31 0.11 0.00 0.82 0.00 0.00 66.70 67.71 2cpt h VAL 45 Cb 0.62 0.94 -0.11 0.00 -1.52 0.00 0.00 31.29 31.22 2cpt h VAL 45 CO -0.89 0.11 -0.18 1.56 0.02 0.00 0.00 177.57 178.19 2cpt h GLN 46 N 0.23 -0.04 0.13 1.57 4.20 -0.03 0.01 115.11 121.17 2cpt h GLN 46 Ca 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2cpt h GLN 46 Cb 0.08 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2cpt h GLN 46 CO -0.01 -0.03 -0.06 1.88 -0.67 0.00 0.00 178.83 179.94 2cpt h TYR 47 N -0.04 -0.16 -0.72 2.96 0.05 -1.13 -2.90 116.97 115.03 2cpt h TYR 47 Ca 0.27 -0.00 0.15 0.00 0.05 0.00 0.00 58.73 59.19 2cpt h TYR 47 Cb 0.46 0.05 -0.14 0.00 1.01 0.00 0.00 36.73 38.12 2cpt h TYR 47 CO -0.51 0.15 -0.18 0.74 -1.05 0.00 0.00 178.16 177.32 2cpt h PHE 48 N -0.48 -0.38 0.35 4.88 0.04 -0.46 -2.05 116.94 118.85 2cpt h PHE 48 Ca -0.02 0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 2cpt h PHE 48 Cb 0.38 0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 2cpt h PHE 48 CO 0.02 -0.31 -0.31 -0.07 -0.60 0.00 0.00 178.31 177.04 2cpt h LEU 49 N 0.00 -0.85 -0.82 1.54 3.38 -1.00 -2.32 115.31 115.25 2cpt h LEU 49 Ca 0.35 0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.54 2cpt h LEU 49 Cb 0.53 0.28 -0.15 0.00 0.09 0.00 0.00 40.66 41.40 2cpt h LEU 49 CO -0.74 -0.43 -0.21 1.57 0.09 0.00 0.00 178.44 178.72 2cpt n HIS 50 N -4.29 0.28 0.26 1.13 -0.00 -0.82 0.03 115.22 111.81 2cpt n HIS 50 Ca -0.08 1.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.94 2cpt n HIS 50 Cb 0.29 -0.97 -0.08 0.00 -0.12 0.00 0.00 29.99 29.11 2cpt n HIS 50 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2cpt h VAL 51 N 0.00 0.18 0.00 3.57 2.07 -1.11 0.10 116.25 121.06 2cpt h VAL 51 Ca 0.39 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.91 2cpt h VAL 51 Cb 0.59 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2cpt h VAL 51 CO -0.84 0.00 0.34 0.58 0.02 0.00 0.00 177.57 177.66 2cpt h VAL 52 N -0.84 0.00 0.00 2.57 2.07 0.15 1.03 116.25 121.22 2cpt h VAL 52 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2cpt h VAL 52 Cb 0.75 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2cpt h VAL 52 CO -0.06 0.00 -0.33 0.50 0.02 0.00 0.00 177.57 177.70 2cpt h LYS 53 N 0.00 0.00 0.00 1.57 3.64 0.18 -3.37 116.57 118.59 2cpt h LYS 53 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2cpt h LYS 53 Cb 0.67 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 2cpt h LYS 53 CO 0.00 0.01 -0.90 0.66 -2.27 0.00 0.00 179.45 176.96 2cpt n TYR 54 N -4.67 0.74 -0.74 1.91 4.02 0.20 -4.36 117.16 114.26 2cpt n TYR 54 Ca -0.05 0.32 -0.06 0.00 -0.01 0.00 0.00 57.90 58.10 2cpt n TYR 54 Cb 0.17 -0.82 -0.06 0.00 -0.02 0.00 0.00 39.34 38.62 2cpt n TYR 54 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2cpt n GLU 55 N -4.53 1.46 -2.15 -0.72 -0.58 0.34 -4.93 120.64 109.53 2cpt n GLU 55 Ca -0.17 -0.56 -0.38 0.00 -0.42 0.00 0.00 57.16 55.63 2cpt n GLU 55 Cb 0.44 -1.43 -0.00 0.00 -0.57 0.00 0.00 31.44 29.88 2cpt n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cpt s ALA 56 N 0.10 3.02 -0.06 0.62 0.00 -0.07 -4.40 121.76 120.97 2cpt s ALA 56 Ca 0.27 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 53.27 2cpt s ALA 56 Cb 0.14 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 2cpt s ALA 56 CO -0.01 -0.79 -0.06 1.04 0.00 0.00 0.00 175.76 175.94 2cpt n GLN 57 N -0.39 0.13 -3.72 0.00 6.02 -1.26 -5.04 117.38 113.11 2cpt n GLN 57 Ca 0.07 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2cpt n GLN 57 Cb 0.47 -0.87 0.00 0.00 1.02 0.00 0.00 30.24 30.85 2cpt n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cpt n GLY 58 N 2.89 -2.23 0.23 1.08 0.00 -1.26 -4.97 105.19 100.94 2cpt n GLY 58 Ca -0.11 -1.22 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 2cpt n GLY 58 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2cpt h ASP 59 N 0.00 0.66 -0.16 1.61 3.58 -2.01 0.25 116.42 120.35 2cpt h ASP 59 Ca 0.00 -0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.42 2cpt h ASP 59 Cb 0.00 -0.17 -0.07 0.00 1.72 0.00 0.00 39.33 40.82 2cpt h ASP 59 CO 0.00 0.55 -0.31 0.11 -2.88 0.00 0.00 179.24 176.72 2cpt h LYS 60 N 0.72 -0.35 0.00 0.28 6.56 -2.00 -1.05 116.57 120.73 2cpt h LYS 60 Ca 0.19 0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.80 2cpt h LYS 60 Cb 0.03 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 2cpt h LYS 60 CO -0.03 -0.23 -0.00 0.00 -2.06 0.00 0.00 179.45 177.12 2cpt h ALA 61 N 0.50 -0.01 -0.85 3.86 0.00 -1.90 -2.90 119.26 117.96 2cpt h ALA 61 Ca 0.11 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.89 2cpt h ALA 61 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.20 2cpt h ALA 61 CO -0.37 -0.27 -0.48 0.87 0.00 0.00 0.00 179.25 179.00 2cpt h LYS 62 N -0.48 -0.08 -0.73 0.00 1.57 -0.27 0.37 116.57 116.95 2cpt h LYS 62 Ca -0.00 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2cpt h LYS 62 Cb 0.47 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 2cpt h LYS 62 CO 0.00 -0.05 0.45 1.96 -0.57 0.00 0.00 179.45 181.23 2cpt h GLN 63 N -0.08 0.82 0.12 3.15 4.20 -1.26 0.18 115.11 122.24 2cpt h GLN 63 Ca 0.22 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.89 2cpt h GLN 63 Cb 0.52 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 2cpt h GLN 63 CO -0.87 0.54 -0.19 0.77 -0.67 0.00 0.00 178.83 178.42 2cpt h SER 64 N 0.84 -0.52 -0.22 1.46 0.02 -0.19 0.09 113.55 115.03 2cpt h SER 64 Ca 0.31 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 2cpt h SER 64 Cb 0.10 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2cpt h SER 64 CO -0.15 -0.27 0.06 0.40 -1.14 0.00 0.00 176.83 175.74 2cpt h ILE 65 N -0.37 1.20 -0.17 3.27 2.04 -0.41 -3.14 117.51 119.93 2cpt h ILE 65 Ca 0.02 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 65.29 2cpt h ILE 65 Cb 0.38 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 2cpt h ILE 65 CO -0.09 0.20 -0.23 0.03 0.00 0.00 0.00 178.15 178.06 2cpt h ARG 66 N 0.18 -0.26 -1.00 2.37 3.08 -0.46 -0.84 114.38 117.44 2cpt h ARG 66 Ca 0.07 0.02 0.30 0.00 0.07 0.00 0.00 59.98 60.43 2cpt h ARG 66 Cb 0.25 0.06 -0.14 0.00 0.08 0.00 0.00 29.97 30.22 2cpt h ARG 66 CO -0.00 -0.18 0.58 0.00 -1.07 0.00 0.00 179.97 179.30 2cpt h ALA 67 N 0.72 1.91 -0.17 0.04 0.00 -0.93 0.17 119.26 120.99 2cpt h ALA 67 Ca 0.11 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2cpt h ALA 67 Cb 0.44 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2cpt h ALA 67 CO -0.32 -0.47 -0.16 0.87 0.00 0.00 0.00 179.25 179.16 2cpt h LYS 68 N 0.41 0.42 -0.87 0.00 6.56 -1.15 -2.49 116.57 119.45 2cpt h LYS 68 Ca 0.71 -0.22 0.18 0.00 -1.06 0.00 0.00 60.65 60.25 2cpt h LYS 68 Cb 1.53 0.01 -0.11 0.00 -0.57 0.00 0.00 32.23 33.09 2cpt h LYS 68 CO -0.56 0.78 0.42 0.00 -2.06 0.00 0.00 179.45 178.03 2cpt h THR 70 N 0.54 1.31 0.50 0.00 2.02 -1.34 0.19 112.91 116.13 2cpt h THR 70 Ca 0.50 -1.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.21 2cpt h THR 70 Cb 0.81 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 2cpt h THR 70 CO -0.43 0.46 -0.33 -0.08 0.37 0.00 0.00 175.52 175.52 2cpt h GLU 71 N 0.38 -0.77 -0.28 6.66 4.57 -0.69 -0.86 114.58 123.60 2cpt h GLU 71 Ca 0.04 0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 2cpt h GLU 71 Cb 0.85 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 2cpt h GLU 71 CO 0.07 -0.51 0.07 1.88 -1.18 0.00 0.00 179.01 179.34 2cpt h TYR 72 N -0.80 0.46 -0.74 0.92 0.05 -1.07 -2.36 116.97 113.43 2cpt h TYR 72 Ca -0.06 -0.05 0.15 0.00 0.05 0.00 0.00 58.73 58.82 2cpt h TYR 72 Cb 0.66 -0.13 -0.10 0.00 1.01 0.00 0.00 36.73 38.17 2cpt h TYR 72 CO -0.11 0.51 0.26 -0.07 -1.05 0.00 0.00 178.16 177.69 2cpt h LEU 73 N 0.28 0.19 -0.25 3.88 3.38 -0.86 -0.17 115.31 121.77 2cpt h LEU 73 Ca 0.09 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 2cpt h LEU 73 Cb 0.27 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2cpt h LEU 73 CO -0.00 0.05 0.05 -0.78 0.09 0.00 0.00 178.44 177.85 2cpt h ASP 74 N 0.38 0.39 0.35 -0.43 1.82 -0.99 -2.39 116.42 115.55 2cpt h ASP 74 Ca 0.41 -0.25 -0.00 0.00 -0.39 0.00 0.00 57.03 56.80 2cpt h ASP 74 Cb 0.66 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.54 2cpt h ASP 74 CO -0.44 0.54 -0.40 -0.09 -1.61 0.00 0.00 179.24 177.24 2cpt h ARG 75 N 0.23 -0.76 -0.37 0.28 9.65 -0.68 -2.82 114.38 119.91 2cpt h ARG 75 Ca 0.08 0.05 0.08 0.00 -1.10 0.00 0.00 59.98 59.09 2cpt h ARG 75 Cb 0.31 0.17 -0.08 0.00 -1.39 0.00 0.00 29.97 28.98 2cpt h ARG 75 CO 0.00 -0.51 -0.22 0.00 2.80 0.00 0.00 179.97 182.05 2cpt h ALA 76 N -0.39 0.03 -1.00 2.80 0.00 -1.10 -1.16 119.26 118.44 2cpt h ALA 76 Ca -0.02 0.13 0.28 0.00 0.00 0.00 0.00 54.91 55.29 2cpt h ALA 76 Cb 0.72 0.50 -0.19 0.00 0.00 0.00 0.00 17.79 18.82 2cpt h ALA 76 CO -0.09 -0.60 0.03 0.93 0.00 0.00 0.00 179.25 179.52 2cpt h GLU 77 N -0.16 0.00 0.47 0.00 4.39 -1.18 0.16 114.58 118.27 2cpt h GLU 77 Ca 0.18 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 2cpt h GLU 77 Cb 0.44 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2cpt h GLU 77 CO -0.47 0.00 -0.23 0.87 -1.16 0.00 0.00 179.01 178.03 2cpt h LYS 78 N 0.00 -0.61 -0.86 2.33 1.79 -1.08 -2.93 116.57 115.21 2cpt h LYS 78 Ca 0.61 0.04 0.32 0.00 -2.18 0.00 0.00 60.65 59.44 2cpt h LYS 78 Cb 1.27 0.14 -0.16 0.00 -1.58 0.00 0.00 32.23 31.90 2cpt h LYS 78 CO -0.94 -0.34 0.30 1.28 -1.08 0.00 0.00 179.45 178.67 2cpt n LEU 79 N -5.31 0.15 0.28 2.94 4.77 0.55 -0.33 117.00 120.05 2cpt n LEU 79 Ca -0.11 1.45 -0.13 0.00 -0.03 0.00 0.00 56.01 57.18 2cpt n LEU 79 Cb 0.29 -0.64 -0.07 0.00 -2.33 0.00 0.00 43.42 40.68 2cpt n LEU 79 CO 0.34 -1.56 0.52 0.11 -1.33 0.00 0.00 177.39 175.47 2cpt h LYS 80 N 0.00 -0.76 -0.89 3.23 1.57 -1.28 0.27 116.57 118.71 2cpt h LYS 80 Ca 0.66 0.05 0.23 0.00 -1.87 0.00 0.00 60.65 59.72 2cpt h LYS 80 Cb 1.63 0.17 -0.13 0.00 0.08 0.00 0.00 32.23 33.98 2cpt h LYS 80 CO -0.72 -0.51 0.35 0.93 -0.57 0.00 0.00 179.45 178.93 2cpt h GLU 81 N -0.79 0.32 -0.31 3.15 4.39 -0.69 0.16 114.58 120.80 2cpt h GLU 81 Ca -0.07 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 2cpt h GLU 81 Cb 0.64 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2cpt h GLU 81 CO 0.06 0.21 0.01 -0.92 -1.16 0.00 0.00 179.01 177.21 2cpt h TYR 82 N 0.33 0.60 0.30 4.33 5.03 -1.03 -0.54 116.97 125.97 2cpt h TYR 82 Ca 0.57 -0.10 -0.01 0.00 2.58 0.00 0.00 58.73 61.76 2cpt h TYR 82 Cb 1.12 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 39.24 2cpt h TYR 82 CO -0.17 0.67 -0.14 -0.07 -1.32 0.00 0.00 178.16 177.12 2cpt h LEU 83 N 0.35 -0.34 -1.36 2.82 3.38 0.21 0.22 115.31 120.61 2cpt h LEU 83 Ca 0.09 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2cpt h LEU 83 Cb 0.42 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2cpt h LEU 83 CO 0.01 -0.24 0.29 0.07 0.09 0.00 0.00 178.44 178.66 2cpt h LYS 84 N -0.40 0.73 -0.22 1.13 2.10 -0.84 -2.34 116.57 116.73 2cpt h LYS 84 Ca -0.04 -0.07 -0.09 0.00 -2.00 0.00 0.00 60.65 58.45 2cpt h LYS 84 Cb 0.30 -0.15 -0.00 0.00 -0.90 0.00 0.00 32.23 31.48 2cpt h LYS 84 CO 0.07 0.54 -0.20 -0.91 -2.00 0.00 0.00 179.45 176.94 2cpt h ASN 85 N 0.73 0.56 0.43 7.07 2.35 -0.72 -3.29 115.58 122.72 2cpt h ASN 85 Ca 0.19 -0.47 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 2cpt h ASN 85 Cb 0.02 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2cpt h ASN 85 CO -0.03 0.91 -0.42 0.50 -1.65 0.00 0.00 177.43 176.74 2cpt h LYS 86 N 0.22 -0.84 -6.29 0.81 3.64 -0.19 -3.43 116.57 110.51 2cpt h LYS 86 Ca 0.04 0.06 -0.63 0.00 -1.27 0.00 0.00 60.65 58.84 2cpt h LYS 86 Cb 0.75 0.19 0.11 0.00 -0.41 0.00 0.00 32.23 32.86 2cpt h LYS 86 CO 0.05 -0.56 -0.11 -1.91 -2.27 0.00 0.00 179.45 174.65 2cpt n GLU 87 N -5.51 0.82 -3.12 1.90 2.13 -0.91 -4.91 120.64 111.04 2cpt n GLU 87 Ca -0.11 0.29 -0.39 0.00 0.66 0.00 0.00 57.16 57.61 2cpt n GLU 87 Cb 0.41 -1.53 -0.05 0.00 0.27 0.00 0.00 31.44 30.54 2cpt n GLU 87 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2cpt s LYS 88 N -1.27 4.36 -0.09 5.31 2.47 -1.26 -4.98 119.74 124.28 2cpt s LYS 88 Ca 0.62 0.73 -0.09 0.00 -1.56 0.00 0.00 55.97 55.67 2cpt s LYS 88 Cb -0.80 -3.47 0.02 0.00 -1.46 0.00 0.00 37.83 32.12 2cpt s LYS 88 CO 0.58 0.01 0.26 -1.59 0.16 0.00 0.00 175.35 174.77 2cpt s LYS 89 N 1.03 0.31 0.56 4.03 0.00 -1.26 -5.17 119.74 119.24 2cpt s LYS 89 Ca 0.33 0.34 -0.04 0.00 0.00 0.00 0.00 55.97 56.61 2cpt s LYS 89 Cb -0.17 0.15 0.01 0.00 0.00 0.00 0.00 37.83 37.83 2cpt s LYS 89 CO 0.14 -0.04 0.84 0.00 0.00 0.00 0.00 175.35 176.30 2cpt s ALA 90 N 0.10 3.46 0.04 0.59 0.00 -1.26 -4.98 121.76 119.70 2cpt s ALA 90 Ca -0.00 -0.87 -0.39 0.00 0.00 0.00 0.00 51.96 50.71 2cpt s ALA 90 Cb -0.02 -2.44 -0.19 0.00 0.00 0.00 0.00 23.12 20.48 2cpt s ALA 90 CO 0.00 -0.74 1.17 0.94 0.00 0.00 0.00 175.76 177.14 2cpt n GLN 91 N -2.47 0.44 -3.80 0.00 -0.06 -1.26 -4.96 117.38 105.27 2cpt n GLN 91 Ca 0.04 0.16 -0.12 0.00 -2.00 0.00 0.00 57.00 55.08 2cpt n GLN 91 Cb 0.58 -1.71 -0.11 0.00 -4.06 0.00 0.00 30.24 24.94 2cpt n GLN 91 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 2cpt s LYS 92 N 0.17 0.40 -0.15 3.69 -2.85 -1.26 -5.13 119.74 114.61 2cpt s LYS 92 Ca 0.88 0.09 -0.29 0.00 -1.00 0.00 0.00 55.97 55.65 2cpt s LYS 92 Cb -1.15 0.18 -0.03 0.00 -2.06 0.00 0.00 37.83 34.77 2cpt s LYS 92 CO 0.53 -0.08 1.56 -1.25 0.10 0.00 0.00 175.35 176.21 2cpt s PRO 93 N -0.46 4.02 -0.05 1.78 0.04 -1.26 -5.01 135.00 134.07 2cpt s PRO 93 Ca -0.06 1.85 0.05 0.00 0.04 0.00 0.00 61.00 62.89 2cpt s PRO 93 Cb -0.04 -3.96 -0.02 0.00 0.04 0.00 0.00 34.50 30.52 2cpt s PRO 93 CO 0.01 -1.02 -0.20 0.54 0.04 0.00 0.00 177.00 176.38 2cpt s VAL 94 N 4.44 2.57 -1.47 -0.36 0.11 -1.26 -4.69 120.40 119.73 2cpt s VAL 94 Ca 0.69 -0.90 -0.19 0.00 -2.93 0.00 0.00 61.98 58.65 2cpt s VAL 94 Cb -0.27 -1.96 0.19 0.00 -1.53 0.00 0.00 36.38 32.80 2cpt s VAL 94 CO 0.26 0.58 0.47 1.17 -3.33 0.00 0.00 175.10 174.25 2cpt n LYS 95 N 2.52 -0.86 -2.65 1.54 0.00 -1.26 -4.84 118.16 112.61 2cpt n LYS 95 Ca -0.17 0.11 -0.34 0.00 0.00 0.00 0.00 58.31 57.91 2cpt n LYS 95 Cb 0.52 -3.88 -0.05 0.00 0.00 0.00 0.00 35.03 31.62 2cpt n LYS 95 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2cpt s GLU 96 N -6.04 3.97 0.00 1.64 0.41 -1.26 -5.03 118.70 112.38 2cpt s GLU 96 Ca 0.65 1.26 0.00 0.00 -0.41 0.00 0.00 54.97 56.47 2cpt s GLU 96 Cb -0.38 -2.13 0.00 0.00 -1.78 0.00 0.00 34.13 29.84 2cpt s GLU 96 CO 0.80 -0.27 0.24 0.41 -0.49 0.00 0.00 175.26 175.95 2cpt n GLY 97 N -0.43 -2.42 2.74 -1.39 0.00 -1.26 -4.96 105.19 97.47 2cpt n GLY 97 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 2cpt n GLY 97 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2cpt n GLN 98 N -0.26 -3.16 -2.26 1.61 -0.06 -1.26 -4.99 117.38 107.00 2cpt n GLN 98 Ca 0.00 0.61 -0.36 0.00 -2.00 0.00 0.00 57.00 55.25 2cpt n GLN 98 Cb 0.00 -4.74 -0.00 0.00 -4.06 0.00 0.00 30.24 21.44 2cpt n GLN 98 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2cpt s PRO 99 N -4.48 3.51 0.01 3.69 0.04 -1.26 -5.06 135.00 131.45 2cpt s PRO 99 Ca 0.16 1.67 -0.24 0.00 0.04 0.00 0.00 61.00 62.63 2cpt s PRO 99 Cb -0.02 -2.15 0.06 0.00 0.04 0.00 0.00 34.50 32.42 2cpt s PRO 99 CO 0.52 -0.74 0.56 -1.54 0.04 0.00 0.00 177.00 175.84 2cpt s SER 100 N -1.62 -0.49 0.00 6.66 1.04 -1.26 -5.02 113.70 113.01 2cpt s SER 100 Ca 0.69 0.34 0.12 0.00 0.48 0.00 0.00 55.95 57.58 2cpt s SER 100 Cb -0.26 0.49 0.71 0.00 0.10 0.00 0.00 66.02 67.06 2cpt s SER 100 CO 0.30 -0.67 1.14 -0.81 0.98 0.00 0.00 173.24 174.17 2cpt n PRO 101 N 0.62 0.49 -1.47 4.02 -0.04 -1.26 -4.87 135.00 132.49 2cpt n PRO 101 Ca -0.19 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 62.77 2cpt n PRO 101 Cb 0.59 -1.38 -0.04 0.00 -0.04 0.00 0.00 33.50 32.63 2cpt n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cpt n ALA 102 N -0.88 -2.48 -2.49 0.55 0.00 -1.26 -4.98 120.51 108.98 2cpt n ALA 102 Ca 0.09 0.47 -0.10 0.00 0.00 0.00 0.00 53.44 53.90 2cpt n ALA 102 Cb 0.04 -1.75 -0.11 0.00 0.00 0.00 0.00 19.45 17.64 2cpt n ALA 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2cpt s ASP 103 N -0.59 0.70 -0.24 0.00 1.11 -1.26 -5.16 116.67 111.23 2cpt s ASP 103 Ca 0.71 -0.79 -0.26 0.00 0.18 0.00 0.00 52.55 52.39 2cpt s ASP 103 Cb -0.97 0.11 0.07 0.00 1.07 0.00 0.00 42.92 43.20 2cpt s ASP 103 CO 0.56 -0.40 0.73 -1.83 1.18 0.00 0.00 175.17 175.41 2cpt s GLU 104 N -2.80 0.85 0.08 8.23 1.03 -1.26 -5.05 118.70 119.77 2cpt s GLU 104 Ca -0.01 0.88 -0.15 0.00 0.03 0.00 0.00 54.97 55.72 2cpt s GLU 104 Cb -0.01 0.41 -0.16 0.00 -0.80 0.00 0.00 34.13 33.58 2cpt s GLU 104 CO -0.04 -0.13 1.29 -0.22 -1.33 0.00 0.00 175.26 174.83 2cpt h LYS 105 N 4.69 0.68 0.00 -4.83 3.64 -2.06 -3.48 116.57 115.20 2cpt h LYS 105 Ca -0.29 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.57 2cpt h LYS 105 Cb 1.16 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2cpt h LYS 105 CO 0.10 1.14 0.00 0.41 -2.27 0.00 0.00 179.45 178.83 2cpt n GLY 106 N 0.64 0.87 3.59 5.01 0.00 -1.26 -4.91 105.19 109.13 2cpt n GLY 106 Ca -0.07 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 2cpt n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cpt s ASN 107 N -4.00 -0.39 0.52 1.61 2.20 -1.26 -5.18 114.94 108.44 2cpt s ASN 107 Ca 0.00 0.49 0.04 0.00 -0.94 0.00 0.00 52.86 52.45 2cpt s ASN 107 Cb 0.00 0.41 0.03 0.00 -2.00 0.00 0.00 41.25 39.70 2cpt s ASN 107 CO 0.00 -0.31 0.73 -1.81 -2.94 0.00 0.00 177.10 172.77 2cpt s ASP 108 N -0.85 5.33 -0.48 3.54 1.11 -1.26 -5.03 116.67 119.04 2cpt s ASP 108 Ca -0.01 -0.20 -0.28 0.00 0.18 0.00 0.00 52.55 52.23 2cpt s ASP 108 Cb -0.01 -0.69 0.01 0.00 1.07 0.00 0.00 42.92 43.29 2cpt s ASP 108 CO 0.00 -1.08 1.46 -0.44 1.18 0.00 0.00 175.17 176.29 2cpt s SER 109 N -4.43 6.17 -0.00 0.27 0.01 -1.26 -4.98 113.70 109.48 2cpt s SER 109 Ca 0.57 0.62 0.00 0.00 1.31 0.00 0.00 55.95 58.45 2cpt s SER 109 Cb -0.10 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2cpt s SER 109 CO 0.37 -1.61 0.00 -1.81 0.41 0.00 0.00 173.24 170.61 2cpt s ASP 110 N 4.46 0.01 -0.40 2.44 1.01 -1.26 -5.11 116.67 117.83 2cpt s ASP 110 Ca 0.59 0.00 0.03 0.00 0.71 0.00 0.00 52.55 53.89 2cpt s ASP 110 Cb -0.13 -0.01 0.16 0.00 1.01 0.00 0.00 42.92 43.96 2cpt s ASP 110 CO 0.29 -0.01 0.35 -0.83 0.21 0.00 0.00 175.17 175.18 2cpt s GLY 111 N 0.11 0.73 0.08 0.21 0.00 -1.26 -5.12 107.32 102.07 2cpt s GLY 111 Ca -0.01 -1.93 -0.14 0.00 0.00 0.00 0.00 44.72 42.64 2cpt s GLY 111 CO -0.00 2.34 0.32 -1.35 0.00 0.00 0.00 173.10 174.40 2cpt s SER 112 N 0.56 -0.12 0.04 1.64 1.04 -1.26 -5.18 113.70 110.42 2cpt s SER 112 Ca 0.27 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.38 2cpt s SER 112 Cb -0.05 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 2cpt s SER 112 CO -0.11 -0.72 -0.05 -0.83 0.98 0.00 0.00 173.24 172.51 2cpt s GLY 113 N -2.49 0.41 -0.02 7.32 0.00 -1.26 -5.13 107.32 106.16 2cpt s GLY 113 Ca -0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.62 2cpt s GLY 113 CO -0.08 -0.88 1.47 2.56 0.00 0.00 0.00 173.10 176.17 2cpt s PRO 114 N -2.05 4.25 -0.26 2.90 0.04 -1.26 -5.00 135.00 133.62 2cpt s PRO 114 Ca -0.08 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 62.72 2cpt s PRO 114 Cb -0.06 -3.68 0.08 0.00 0.04 0.00 0.00 34.50 30.88 2cpt s PRO 114 CO -0.02 -0.66 0.76 0.45 0.04 0.00 0.00 177.00 177.57 2cpt s SER 115 N 2.24 -0.71 -1.09 6.66 0.15 -1.26 -5.09 113.70 114.60 2cpt s SER 115 Ca 0.66 1.34 -0.16 0.00 0.70 0.00 0.00 55.95 58.48 2cpt s SER 115 Cb -0.32 1.35 0.14 0.00 -1.71 0.00 0.00 66.02 65.49 2cpt s SER 115 CO 0.26 -0.25 1.32 -0.94 1.20 0.00 0.00 173.24 174.83 2cpt s SER 116 N 0.28 6.85 0.00 5.45 1.04 -1.26 -5.33 113.70 120.74 2cpt s SER 116 Ca -0.00 -2.52 0.00 0.00 0.48 0.00 0.00 55.95 53.91 2cpt s SER 116 Cb -0.05 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2cpt s SER 116 CO 0.01 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.91