#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 0.26 0.69 1.61 0.01 -1.26 -5.16 113.70 109.85 2cpt s SER 2 Ca 0.00 -1.20 -0.11 0.00 1.31 0.00 0.00 55.95 55.94 2cpt s SER 2 Cb 0.00 0.32 0.01 0.00 0.21 0.00 0.00 66.02 66.56 2cpt s SER 2 CO 0.00 -0.76 1.06 -0.94 0.41 0.00 0.00 173.24 173.01 2cpt s SER 3 N -3.06 5.47 0.09 2.44 1.04 -1.26 -5.07 113.70 113.35 2cpt s SER 3 Ca 0.26 1.43 0.03 0.00 0.48 0.00 0.00 55.95 58.15 2cpt s SER 3 Cb 0.07 -2.32 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 2cpt s SER 3 CO 0.03 -1.36 0.09 -0.83 0.98 0.00 0.00 173.24 172.15 2cpt s GLY 4 N -4.01 1.99 -0.08 7.32 0.00 -1.26 -5.11 107.32 106.17 2cpt s GLY 4 Ca 0.58 -1.03 -0.02 0.00 0.00 0.00 0.00 44.72 44.25 2cpt s GLY 4 CO 0.54 -1.01 0.01 -1.35 0.00 0.00 0.00 173.10 171.29 2cpt s SER 5 N -2.47 5.31 0.19 1.64 1.04 -1.26 -5.11 113.70 113.03 2cpt s SER 5 Ca 0.30 0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.87 2cpt s SER 5 Cb -0.12 -1.51 -0.05 0.00 0.10 0.00 0.00 66.02 64.45 2cpt s SER 5 CO 0.22 0.38 0.39 -0.94 0.98 0.00 0.00 173.24 174.27 2cpt s SER 6 N -0.93 6.41 0.00 7.02 1.04 -1.26 -5.01 113.70 120.97 2cpt s SER 6 Ca 0.14 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2cpt s SER 6 Cb -0.11 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2cpt s SER 6 CO 0.03 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.84 2cpt n GLY 7 N -0.46 -0.59 3.05 7.32 0.00 -1.26 -5.12 105.19 108.13 2cpt n GLY 7 Ca -0.04 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 2cpt n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2cpt s MET 8 N -0.88 2.22 -0.29 1.61 1.00 -1.26 -5.11 119.30 116.60 2cpt s MET 8 Ca 0.00 -0.56 -0.15 0.00 0.00 0.00 0.00 55.69 54.98 2cpt s MET 8 Cb 0.00 -1.91 0.14 0.00 0.00 0.00 0.00 34.83 33.06 2cpt s MET 8 CO 0.00 -0.09 0.91 0.45 0.00 0.00 0.00 175.02 176.29 2cpt s SER 9 N 1.05 -0.64 0.46 3.03 0.15 -1.26 -5.17 113.70 111.33 2cpt s SER 9 Ca -0.05 0.97 -0.16 0.00 0.70 0.00 0.00 55.95 57.42 2cpt s SER 9 Cb -0.15 1.40 -0.08 0.00 -1.71 0.00 0.00 66.02 65.49 2cpt s SER 9 CO -0.03 -0.15 0.90 -0.55 1.20 0.00 0.00 173.24 174.62 2cpt s SER 10 N 1.72 6.66 0.20 5.45 0.15 -1.26 -5.05 113.70 121.56 2cpt s SER 10 Ca -0.08 1.45 -0.19 0.00 0.70 0.00 0.00 55.95 57.83 2cpt s SER 10 Cb -0.05 -2.45 -0.08 0.00 -1.71 0.00 0.00 66.02 61.73 2cpt s SER 10 CO -0.16 -0.47 0.69 0.28 1.20 0.00 0.00 173.24 174.78 2cpt s THR 11 N -2.43 4.62 0.74 6.45 -1.32 -1.26 -5.03 115.64 117.40 2cpt s THR 11 Ca 0.57 1.23 -0.16 0.00 -1.21 0.00 0.00 61.69 62.11 2cpt s THR 11 Cb -0.10 -3.85 -0.07 0.00 -1.51 0.00 0.00 72.50 66.96 2cpt s THR 11 CO 0.27 0.25 0.17 -1.20 -2.21 0.00 0.00 174.62 171.90 2cpt n SER 12 N 0.83 -2.53 -0.03 8.08 7.64 -1.26 -4.76 113.62 121.59 2cpt n SER 12 Ca -0.03 0.52 -0.13 0.00 1.01 0.00 0.00 58.87 60.24 2cpt n SER 12 Cb 0.51 -1.07 -0.08 0.00 -1.01 0.00 0.00 64.21 62.56 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 -0.48 0.18 -0.92 1.43 0.13 -1.99 -2.24 132.00 128.11 2cpt h PRO 13 Ca -0.44 -0.10 0.08 0.00 -0.87 0.00 0.00 66.00 64.67 2cpt h PRO 13 Cb 1.36 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.43 2cpt h PRO 13 CO 0.39 0.61 0.59 -2.95 -0.23 0.00 0.00 178.00 176.42 2cpt h ASN 14 N -0.24 0.89 0.40 1.44 7.08 -1.95 -1.87 115.58 121.33 2cpt h ASN 14 Ca 0.01 0.01 -0.02 0.00 -3.08 0.00 0.00 56.30 53.23 2cpt h ASN 14 Cb 0.58 -0.17 0.00 0.00 -2.08 0.00 0.00 38.32 36.65 2cpt h ASN 14 CO 0.02 0.55 -0.19 0.25 -2.08 0.00 0.00 177.43 175.98 2cpt h LEU 15 N 1.00 -0.46 -0.71 6.14 5.85 -1.84 -2.80 115.31 122.48 2cpt h LEU 15 Ca 0.41 -0.12 0.14 0.00 0.84 0.00 0.00 57.88 59.15 2cpt h LEU 15 Cb 0.28 0.12 -0.13 0.00 0.37 0.00 0.00 40.66 41.29 2cpt h LEU 15 CO -0.17 -0.05 -0.17 -0.61 -0.34 0.00 0.00 178.44 177.11 2cpt h GLN 16 N -0.96 0.01 -0.71 1.25 -0.00 -1.18 0.49 115.11 114.00 2cpt h GLN 16 Ca -0.06 -0.00 0.07 0.00 -0.00 0.00 0.00 58.65 58.67 2cpt h GLN 16 Cb 0.55 -0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.98 2cpt h GLN 16 CO 0.09 0.00 0.47 -0.22 0.00 0.00 0.00 178.83 179.17 2cpt h LYS 17 N 0.01 0.69 -0.86 1.69 3.64 -1.39 -1.47 116.57 118.87 2cpt h LYS 17 Ca 0.34 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2cpt h LYS 17 Cb 0.53 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 2cpt h LYS 17 CO -0.73 0.46 0.53 0.00 -2.27 0.00 0.00 179.45 177.44 2cpt h ALA 18 N 1.62 1.10 0.37 5.00 0.00 0.25 -1.21 119.26 126.38 2cpt h ALA 18 Ca 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2cpt h ALA 18 Cb 0.31 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2cpt h ALA 18 CO -0.10 0.55 -0.18 0.82 0.00 0.00 0.00 179.25 180.34 2cpt h ILE 19 N 1.18 0.65 -0.18 0.00 5.03 -0.77 -1.79 117.51 121.64 2cpt h ILE 19 Ca 0.31 -0.28 0.05 0.00 -0.12 0.00 0.00 64.86 64.82 2cpt h ILE 19 Cb -0.07 0.79 -0.05 0.00 -3.03 0.00 0.00 36.82 34.46 2cpt h ILE 19 CO -0.06 0.05 -0.12 -0.78 -0.68 0.00 0.00 178.15 176.56 2cpt h ASP 20 N -0.65 -0.39 0.24 1.72 1.82 -1.36 -0.65 116.42 117.15 2cpt h ASP 20 Ca -0.05 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2cpt h ASP 20 Cb 0.47 0.20 -0.04 0.00 0.68 0.00 0.00 39.33 40.64 2cpt h ASP 20 CO 0.08 -0.16 -0.49 -0.07 -1.61 0.00 0.00 179.24 176.99 2cpt h LEU 21 N -0.12 -1.43 -0.87 2.28 3.38 -1.20 0.26 115.31 117.60 2cpt h LEU 21 Ca 0.11 0.14 0.18 0.00 0.09 0.00 0.00 57.88 58.40 2cpt h LEU 21 Cb 0.28 0.51 -0.11 0.00 0.09 0.00 0.00 40.66 41.43 2cpt h LEU 21 CO -0.25 -0.56 0.42 0.00 0.09 0.00 0.00 178.44 178.13 2cpt h ALA 22 N -0.73 1.36 -0.32 1.53 0.00 -1.14 -0.33 119.26 119.63 2cpt h ALA 22 Ca -0.03 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2cpt h ALA 22 Cb 0.75 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2cpt h ALA 22 CO -0.20 -0.22 0.09 1.03 0.00 0.00 0.00 179.25 179.95 2cpt h SER 23 N 0.51 0.48 -0.59 0.00 0.87 -0.36 -3.01 113.55 111.45 2cpt h SER 23 Ca 0.51 -0.22 0.05 0.00 -1.23 0.00 0.00 61.79 60.91 2cpt h SER 23 Cb 0.86 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.65 2cpt h SER 23 CO -0.45 0.58 0.32 0.50 -0.53 0.00 0.00 176.83 177.25 2cpt h LYS 24 N 0.36 0.58 -0.71 2.24 3.64 0.11 -2.89 116.57 119.90 2cpt h LYS 24 Ca 0.10 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.52 2cpt h LYS 24 Cb 0.28 -0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 31.87 2cpt h LYS 24 CO -0.00 0.38 -0.55 0.00 -2.27 0.00 0.00 179.45 177.01 2cpt h ALA 25 N 1.32 -0.63 -0.04 5.00 0.00 -1.08 -1.46 119.26 122.36 2cpt h ALA 25 Ca 0.27 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.27 2cpt h ALA 25 Cb 0.17 1.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 2cpt h ALA 25 CO -0.17 -0.97 -0.47 0.00 0.00 0.00 0.00 179.25 177.64 2cpt h ALA 26 N 0.19 -0.76 -0.94 0.00 0.00 -1.56 -1.96 119.26 114.23 2cpt h ALA 26 Ca 0.12 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.12 2cpt h ALA 26 Cb 0.47 0.85 -0.15 0.00 0.00 0.00 0.00 17.79 18.96 2cpt h ALA 26 CO -0.75 -1.01 -0.36 1.04 0.00 0.00 0.00 179.25 178.16 2cpt n GLN 27 N -5.45 -0.22 0.14 0.00 1.13 -0.62 -0.30 117.38 112.07 2cpt n GLN 27 Ca -0.06 1.44 -0.13 0.00 -1.94 0.00 0.00 57.00 56.31 2cpt n GLN 27 Cb 0.38 -2.14 -0.06 0.00 0.11 0.00 0.00 30.24 28.53 2cpt n GLN 27 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2cpt h GLU 28 N 0.00 -0.48 -0.47 -1.09 4.39 -0.72 -1.48 114.58 114.74 2cpt h GLU 28 Ca 0.33 0.03 0.05 0.00 0.34 0.00 0.00 59.36 60.11 2cpt h GLU 28 Cb 0.56 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.25 2cpt h GLU 28 CO -0.93 -0.32 -0.49 0.22 -1.16 0.00 0.00 179.01 176.32 2cpt h ASP 29 N -0.50 -1.68 -0.63 1.42 3.58 0.06 0.28 116.42 118.95 2cpt h ASP 29 Ca 0.01 0.23 0.12 0.00 0.42 0.00 0.00 57.03 57.81 2cpt h ASP 29 Cb 0.49 0.70 -0.09 0.00 1.72 0.00 0.00 39.33 42.15 2cpt h ASP 29 CO -0.10 -0.32 0.15 0.50 -2.88 0.00 0.00 179.24 176.59 2cpt h LYS 30 N -0.27 0.27 -0.31 0.28 3.64 -1.14 0.13 116.57 119.16 2cpt h LYS 30 Ca 0.08 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2cpt h LYS 30 Cb 0.48 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2cpt h LYS 30 CO -0.58 0.18 0.21 0.00 -2.27 0.00 0.00 179.45 176.98 2cpt h ALA 31 N 1.50 1.85 0.00 5.00 0.00 0.06 -3.45 119.26 124.22 2cpt h ALA 31 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2cpt h ALA 31 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2cpt h ALA 31 CO -0.41 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.36 2cpt n GLY 32 N -1.50 1.29 3.34 0.00 0.00 0.68 -5.09 105.19 103.91 2cpt n GLY 32 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.62 5.57 -0.23 1.61 0.01 0.45 -4.94 114.94 115.80 2cpt s ASN 33 Ca 0.00 -1.02 -0.08 0.00 -0.71 0.00 0.00 52.86 51.05 2cpt s ASN 33 Cb 0.00 -1.97 -0.18 0.00 0.41 0.00 0.00 41.25 39.51 2cpt s ASN 33 CO 0.00 -0.35 -0.06 -1.22 -1.51 0.00 0.00 177.10 173.95 2cpt n TYR 34 N 4.93 0.45 -0.28 2.20 4.02 -1.26 -2.43 117.16 124.80 2cpt n TYR 34 Ca -0.12 0.13 -0.01 0.00 -0.01 0.00 0.00 57.90 57.89 2cpt n TYR 34 Cb 0.46 -1.05 0.11 0.00 -0.02 0.00 0.00 39.34 38.84 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 -0.43 0.85 -0.17 -0.72 4.81 -1.93 0.18 114.58 117.17 2cpt h GLU 35 Ca -0.54 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 58.49 2cpt h GLU 35 Cb 1.75 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.94 2cpt h GLU 35 CO -0.17 0.56 -0.46 1.49 -0.73 0.00 0.00 179.01 179.71 2cpt h GLU 36 N 0.88 0.61 -0.82 1.92 4.57 -1.99 -3.16 114.58 116.59 2cpt h GLU 36 Ca 0.33 -0.43 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 2cpt h GLU 36 Cb 0.13 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 2cpt h GLU 36 CO -0.16 1.05 0.44 0.00 -1.18 0.00 0.00 179.01 179.16 2cpt h ALA 37 N 0.56 1.05 0.35 2.92 0.00 -1.48 -2.70 119.26 119.96 2cpt h ALA 37 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2cpt h ALA 37 Cb 1.08 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2cpt h ALA 37 CO 0.10 0.57 -0.49 1.25 0.00 0.00 0.00 179.25 180.68 2cpt h LEU 38 N 1.14 -1.39 -0.34 0.00 5.85 -0.67 0.33 115.31 120.24 2cpt h LEU 38 Ca 0.29 0.13 0.07 0.00 0.84 0.00 0.00 57.88 59.21 2cpt h LEU 38 Cb 0.05 0.48 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 2cpt h LEU 38 CO -0.04 -0.61 -0.25 1.56 -0.34 0.00 0.00 178.44 178.76 2cpt h GLN 39 N -0.89 -0.20 -0.39 1.25 4.20 -1.51 -1.13 115.11 116.44 2cpt h GLN 39 Ca -0.03 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.76 2cpt h GLN 39 Cb 0.81 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.57 2cpt h GLN 39 CO -0.14 -0.13 -0.06 -0.07 -0.67 0.00 0.00 178.83 177.76 2cpt h LEU 40 N -0.21 -0.28 -0.92 1.46 3.38 -1.20 0.23 115.31 117.78 2cpt h LEU 40 Ca 0.17 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.36 2cpt h LEU 40 Cb 0.47 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 2cpt h LEU 40 CO -0.46 -0.09 0.55 1.88 0.09 0.00 0.00 178.44 180.41 2cpt h TYR 41 N 0.04 1.00 -0.18 1.13 0.05 0.05 0.15 116.97 119.20 2cpt h TYR 41 Ca 0.19 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.90 2cpt h TYR 41 Cb 0.28 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 37.71 2cpt h TYR 41 CO -0.31 0.39 -0.28 1.96 -1.05 0.00 0.00 178.16 178.87 2cpt h GLN 42 N 0.89 0.51 0.83 4.88 4.20 -0.02 -3.21 115.11 123.18 2cpt h GLN 42 Ca 0.45 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 2cpt h GLN 42 Cb 0.45 0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.26 2cpt h GLN 42 CO -0.27 0.90 -0.40 0.45 -0.67 0.00 0.00 178.83 178.85 2cpt h HIS 43 N 0.17 -1.03 -0.91 2.96 3.86 0.15 -2.24 115.15 118.10 2cpt h HIS 43 Ca 0.02 -0.02 0.21 0.00 -1.16 0.00 0.00 60.37 59.42 2cpt h HIS 43 Cb 0.85 0.34 -0.17 0.00 1.06 0.00 0.00 27.41 29.49 2cpt h HIS 43 CO 0.09 -0.64 -0.11 0.00 0.86 0.00 0.00 177.93 178.13 2cpt n ALA 44 N -2.59 0.34 -0.04 2.45 0.00 0.45 0.62 120.51 121.73 2cpt n ALA 44 Ca -0.15 0.99 -0.11 0.00 0.00 0.00 0.00 53.44 54.17 2cpt n ALA 44 Cb 0.45 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 2cpt n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2cpt h VAL 45 N 0.00 1.17 -0.99 0.00 2.07 -1.52 0.33 116.25 117.31 2cpt h VAL 45 Ca 0.49 -0.52 0.21 0.00 0.82 0.00 0.00 66.70 67.71 2cpt h VAL 45 Cb 0.89 1.20 -0.10 0.00 -1.52 0.00 0.00 31.29 31.76 2cpt h VAL 45 CO -0.90 0.16 0.62 1.56 0.02 0.00 0.00 177.57 179.03 2cpt h GLN 46 N 0.11 0.57 0.02 1.57 1.08 0.80 -0.22 115.11 119.05 2cpt h GLN 46 Ca 0.06 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 2cpt h GLN 46 Cb 0.20 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2cpt h GLN 46 CO -0.00 0.38 -0.17 1.88 -0.95 0.00 0.00 178.83 179.97 2cpt h TYR 47 N 0.59 0.12 -0.91 2.96 0.05 -0.97 -3.02 116.97 115.80 2cpt h TYR 47 Ca 0.56 -0.08 0.24 0.00 0.05 0.00 0.00 58.73 59.50 2cpt h TYR 47 Cb 1.12 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 38.80 2cpt h TYR 47 CO -0.00 1.02 0.63 0.74 -1.05 0.00 0.00 178.16 179.50 2cpt h PHE 48 N -0.82 0.26 0.26 4.88 0.04 -0.13 -2.35 116.94 119.10 2cpt h PHE 48 Ca -0.03 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 2cpt h PHE 48 Cb 1.09 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.16 2cpt h PHE 48 CO 0.25 0.06 -0.13 -0.07 -0.60 0.00 0.00 178.31 177.82 2cpt h LEU 49 N 0.19 -0.30 -1.77 1.54 3.38 -1.14 -2.99 115.31 114.23 2cpt h LEU 49 Ca 0.46 0.01 0.48 0.00 0.09 0.00 0.00 57.88 58.91 2cpt h LEU 49 Cb 1.49 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 42.25 2cpt h LEU 49 CO -0.10 0.09 1.30 -0.74 0.09 0.00 0.00 178.44 179.09 2cpt h HIS 50 N -0.96 0.00 0.00 1.13 2.76 -1.30 1.01 115.15 117.80 2cpt h HIS 50 Ca -0.04 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.04 2cpt h HIS 50 Cb 0.27 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.24 2cpt h HIS 50 CO 0.01 0.00 -0.35 0.28 -1.30 0.00 0.00 177.93 176.57 2cpt h VAL 51 N 0.00 1.52 0.00 5.26 2.07 -1.46 -3.26 116.25 120.38 2cpt h VAL 51 Ca 0.78 -2.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 2cpt h VAL 51 Cb 3.38 2.75 -0.00 0.00 -1.52 0.00 0.00 31.29 35.89 2cpt h VAL 51 CO -0.01 0.56 -0.13 0.58 0.02 0.00 0.00 177.57 178.59 2cpt h VAL 52 N -0.41 0.28 0.03 2.57 2.07 0.99 1.20 116.25 123.00 2cpt h VAL 52 Ca -0.04 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 2cpt h VAL 52 Cb 1.11 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2cpt h VAL 52 CO 0.07 0.12 -0.02 0.11 0.02 0.00 0.00 177.57 177.87 2cpt h LYS 53 N 0.00 -0.05 0.00 1.57 1.57 -0.43 -3.30 116.57 115.93 2cpt h LYS 53 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2cpt h LYS 53 Cb 0.76 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 2cpt h LYS 53 CO 0.02 -0.03 -1.30 0.66 -0.57 0.00 0.00 179.45 178.23 2cpt n TYR 54 N -2.36 0.00 1.74 -1.35 4.02 -1.25 -4.56 117.16 113.40 2cpt n TYR 54 Ca -0.01 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.89 2cpt n TYR 54 Cb 0.02 -0.21 0.02 0.00 -0.02 0.00 0.00 39.34 39.15 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 -2.29 1.11 -1.10 -0.72 -0.58 -0.01 -4.93 120.64 112.13 2cpt n GLU 55 Ca -0.08 -0.16 -0.37 0.00 -0.42 0.00 0.00 57.16 56.14 2cpt n GLU 55 Cb 0.63 -1.10 0.04 0.00 -0.57 0.00 0.00 31.44 30.44 2cpt n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cpt n ALA 56 N -0.32 -4.12 -0.02 0.62 0.00 0.40 -4.67 120.51 112.40 2cpt n ALA 56 Ca 0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 53.44 53.00 2cpt n ALA 56 Cb 0.07 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 2cpt n ALA 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2cpt n GLN 57 N 1.60 0.18 -3.58 0.00 3.00 -1.26 -4.99 117.38 112.32 2cpt n GLN 57 Ca 0.03 0.07 -0.06 0.00 -0.01 0.00 0.00 57.00 57.03 2cpt n GLN 57 Cb 0.52 -0.72 -0.02 0.00 0.00 0.00 0.00 30.24 30.02 2cpt n GLN 57 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2cpt s GLY 58 N -3.90 -0.39 0.20 1.08 0.00 -1.26 -4.99 107.32 98.06 2cpt s GLY 58 Ca -0.10 0.82 -0.21 0.00 0.00 0.00 0.00 44.72 45.23 2cpt s GLY 58 CO 0.14 0.26 1.56 1.29 0.00 0.00 0.00 173.10 176.35 2cpt h ASP 59 N 2.00 -1.49 -0.07 1.64 2.03 -2.00 0.42 116.42 118.94 2cpt h ASP 59 Ca -0.22 0.29 0.02 0.00 -0.73 0.00 0.00 57.03 56.39 2cpt h ASP 59 Cb 1.23 0.74 -0.02 0.00 -0.83 0.00 0.00 39.33 40.44 2cpt h ASP 59 CO 0.29 -0.29 -0.06 0.50 -1.03 0.00 0.00 179.24 178.65 2cpt h LYS 60 N -0.08 -0.06 0.34 4.15 3.11 -2.00 -2.27 116.57 119.76 2cpt h LYS 60 Ca 0.27 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.10 2cpt h LYS 60 Cb 0.56 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.79 2cpt h LYS 60 CO -0.87 -0.04 -0.28 0.00 -2.81 0.00 0.00 179.45 175.45 2cpt h ALA 61 N 1.00 -1.02 -0.60 5.00 0.00 -1.29 -2.68 119.26 119.66 2cpt h ALA 61 Ca 0.05 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2cpt h ALA 61 Cb 0.14 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 2cpt h ALA 61 CO -0.11 -1.02 -0.35 1.63 0.00 0.00 0.00 179.25 179.39 2cpt n LYS 62 N -4.04 -0.26 -0.33 0.00 5.02 0.12 0.35 118.16 119.02 2cpt n LYS 62 Ca -0.07 1.28 0.20 0.00 -2.02 0.00 0.00 58.31 57.70 2cpt n LYS 62 Cb 0.26 -1.90 0.38 0.00 -0.02 0.00 0.00 35.03 33.76 2cpt n LYS 62 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2cpt h GLN 63 N 0.00 0.02 0.69 1.97 1.08 -1.39 0.24 115.11 117.72 2cpt h GLN 63 Ca 0.10 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.26 2cpt h GLN 63 Cb 0.25 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2cpt h GLN 63 CO -0.56 0.01 -0.39 1.03 -0.95 0.00 0.00 178.83 177.97 2cpt h SER 64 N 0.02 -0.96 0.11 1.46 0.87 0.25 -0.35 113.55 114.95 2cpt h SER 64 Ca 0.67 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 61.29 2cpt h SER 64 Cb 1.53 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 63.74 2cpt h SER 64 CO -0.87 -0.62 -0.18 0.40 -0.53 0.00 0.00 176.83 175.02 2cpt h ILE 65 N -1.00 0.58 -0.52 2.23 2.04 -0.01 -2.69 117.51 118.13 2cpt h ILE 65 Ca -0.09 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.88 2cpt h ILE 65 Cb 0.80 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 37.36 2cpt h ILE 65 CO 0.12 0.00 -0.07 0.03 0.00 0.00 0.00 178.15 178.22 2cpt h ARG 66 N -0.36 0.05 -1.00 2.37 3.08 -0.64 0.38 114.38 118.26 2cpt h ARG 66 Ca 0.02 -0.00 0.26 0.00 0.07 0.00 0.00 59.98 60.33 2cpt h ARG 66 Cb 0.37 -0.01 -0.13 0.00 0.08 0.00 0.00 29.97 30.28 2cpt h ARG 66 CO -0.10 0.03 0.57 0.00 -1.07 0.00 0.00 179.97 179.41 2cpt h ALA 67 N 1.50 1.80 -0.28 0.04 0.00 -0.72 0.15 119.26 121.74 2cpt h ALA 67 Ca 0.26 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 2cpt h ALA 67 Cb 0.40 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2cpt h ALA 67 CO -0.50 -0.34 -0.28 0.87 0.00 0.00 0.00 179.25 179.01 2cpt h LYS 68 N 0.51 0.69 -0.77 0.00 6.56 -0.79 -2.68 116.57 120.09 2cpt h LYS 68 Ca 0.66 -0.36 0.13 0.00 -1.06 0.00 0.00 60.65 60.01 2cpt h LYS 68 Cb 1.31 0.01 -0.09 0.00 -0.57 0.00 0.00 32.23 32.89 2cpt h LYS 68 CO -0.51 0.98 0.35 0.00 -2.06 0.00 0.00 179.45 178.21 2cpt h THR 70 N 0.53 1.28 0.55 0.00 2.02 -1.35 -0.73 112.91 115.20 2cpt h THR 70 Ca 0.41 -1.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.25 2cpt h THR 70 Cb 0.57 1.21 0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2cpt h THR 70 CO -0.36 0.45 -0.26 -0.08 0.37 0.00 0.00 175.52 175.64 2cpt h GLU 71 N 0.71 -0.71 -0.78 6.66 4.57 -0.89 -1.37 114.58 122.77 2cpt h GLU 71 Ca 0.10 0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.36 2cpt h GLU 71 Cb 0.73 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.44 2cpt h GLU 71 CO 0.06 -0.41 0.52 1.88 -1.18 0.00 0.00 179.01 179.88 2cpt h TYR 72 N -0.93 0.94 -0.46 0.92 0.05 -0.68 -2.11 116.97 114.70 2cpt h TYR 72 Ca -0.07 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 2cpt h TYR 72 Cb 0.63 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 2cpt h TYR 72 CO -0.00 0.56 0.22 -0.07 -1.05 0.00 0.00 178.16 177.81 2cpt h LEU 73 N 0.98 0.61 -0.73 3.88 3.38 -1.04 -1.99 115.31 120.41 2cpt h LEU 73 Ca 0.31 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2cpt h LEU 73 Cb 0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2cpt h LEU 73 CO -0.09 0.57 0.41 -0.78 0.09 0.00 0.00 178.44 178.64 2cpt h ASP 74 N 0.61 0.90 0.92 -0.43 1.82 -0.65 -2.39 116.42 117.19 2cpt h ASP 74 Ca 0.16 -0.09 -0.04 0.00 -0.39 0.00 0.00 57.03 56.66 2cpt h ASP 74 Cb 0.12 -0.23 0.01 0.00 0.68 0.00 0.00 39.33 39.91 2cpt h ASP 74 CO -0.02 0.73 -0.44 -0.09 -1.61 0.00 0.00 179.24 177.81 2cpt h ARG 75 N 1.00 -1.19 -0.78 0.28 9.65 -1.14 -2.96 114.38 119.24 2cpt h ARG 75 Ca 0.26 0.08 0.18 0.00 -1.10 0.00 0.00 59.98 59.40 2cpt h ARG 75 Cb 0.02 0.27 -0.12 0.00 -1.39 0.00 0.00 29.97 28.75 2cpt h ARG 75 CO -0.04 -0.79 0.14 0.00 2.80 0.00 0.00 179.97 182.08 2cpt h ALA 76 N -1.13 0.99 -1.04 2.80 0.00 -1.32 0.20 119.26 119.77 2cpt h ALA 76 Ca -0.13 0.20 0.32 0.00 0.00 0.00 0.00 54.91 55.31 2cpt h ALA 76 Cb 0.94 0.31 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 2cpt h ALA 76 CO 0.21 -0.40 0.61 0.93 0.00 0.00 0.00 179.25 180.60 2cpt h GLU 77 N 0.20 0.32 -0.02 0.00 4.39 -1.26 0.12 114.58 118.33 2cpt h GLU 77 Ca 0.45 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.12 2cpt h GLU 77 Cb 0.82 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2cpt h GLU 77 CO -0.60 0.21 -0.05 0.87 -1.16 0.00 0.00 179.01 178.29 2cpt h LYS 78 N 0.33 0.07 -1.05 2.33 1.79 -0.60 -3.11 116.57 116.33 2cpt h LYS 78 Ca 0.72 -0.05 0.28 0.00 -2.18 0.00 0.00 60.65 59.43 2cpt h LYS 78 Cb 1.71 0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 32.25 2cpt h LYS 78 CO -0.55 0.62 0.65 -0.07 -1.08 0.00 0.00 179.45 179.01 2cpt h LEU 79 N -0.46 0.52 0.49 2.94 3.38 -0.54 -0.65 115.31 120.99 2cpt h LEU 79 Ca 0.00 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2cpt h LEU 79 Cb 0.61 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2cpt h LEU 79 CO 0.01 0.04 -0.24 0.11 0.09 0.00 0.00 178.44 178.46 2cpt h LYS 80 N 0.43 -0.63 0.00 1.13 1.57 -1.33 0.33 116.57 118.07 2cpt h LYS 80 Ca 0.65 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.47 2cpt h LYS 80 Cb 1.51 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.97 2cpt h LYS 80 CO -0.41 -0.34 0.12 0.93 -0.57 0.00 0.00 179.45 179.17 2cpt h GLU 81 N -0.86 0.00 0.02 3.15 5.08 -1.10 0.16 114.58 121.02 2cpt h GLU 81 Ca -0.07 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.95 2cpt h GLU 81 Cb 0.58 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 2cpt h GLU 81 CO 0.11 0.00 -2.09 0.98 -1.00 0.00 0.00 179.01 177.01 2cpt n TYR 82 N -2.62 0.56 0.01 4.33 4.19 -0.51 -3.70 117.16 119.43 2cpt n TYR 82 Ca -0.02 0.18 -0.18 0.00 3.31 0.00 0.00 57.90 61.19 2cpt n TYR 82 Cb 0.16 -1.09 -0.11 0.00 0.49 0.00 0.00 39.34 38.78 2cpt n TYR 82 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 2cpt h LEU 83 N 0.01 0.53 -1.31 2.98 3.38 0.15 -2.90 115.31 118.15 2cpt h LEU 83 Ca -0.44 -0.78 -0.04 0.00 0.09 0.00 0.00 57.88 56.71 2cpt h LEU 83 Cb 2.08 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.65 2cpt h LEU 83 CO 0.04 1.25 0.06 0.07 0.09 0.00 0.00 178.44 179.95 2cpt h LYS 84 N -0.13 0.53 0.00 1.13 2.10 -0.99 -1.16 116.57 118.04 2cpt h LYS 84 Ca -0.08 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 2cpt h LYS 84 Cb 1.36 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2cpt h LYS 84 CO 0.12 0.51 0.00 -0.97 -2.00 0.00 0.00 179.45 177.12 2cpt h ASN 85 N 0.52 0.00 0.00 7.07 -1.24 -1.64 -3.31 115.58 116.98 2cpt h ASN 85 Ca 0.12 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.11 2cpt h ASN 85 Cb 0.24 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.29 2cpt h ASN 85 CO 0.00 0.00 -0.30 0.50 -1.29 0.00 0.00 177.43 176.34 2cpt h LYS 86 N 0.00 0.00 -6.35 6.67 3.64 -1.03 -3.47 116.57 116.03 2cpt h LYS 86 Ca 0.00 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.77 2cpt h LYS 86 Cb 0.65 0.00 0.14 0.00 -0.41 0.00 0.00 32.23 32.60 2cpt h LYS 86 CO 0.00 0.22 -0.27 -1.91 -2.27 0.00 0.00 179.45 175.22 2cpt n GLU 87 N -4.67 0.72 -2.14 1.90 4.07 -0.77 -4.80 120.64 114.96 2cpt n GLU 87 Ca -0.07 0.26 -0.40 0.00 -0.06 0.00 0.00 57.16 56.90 2cpt n GLU 87 Cb 0.22 -1.57 -0.03 0.00 -0.06 0.00 0.00 31.44 30.00 2cpt n GLU 87 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2cpt s LYS 88 N -1.57 2.84 0.22 5.31 2.20 -1.26 -4.96 119.74 122.52 2cpt s LYS 88 Ca 0.63 0.57 0.06 0.00 -0.36 0.00 0.00 55.97 56.86 2cpt s LYS 88 Cb -0.64 -4.31 -0.05 0.00 -1.51 0.00 0.00 37.83 31.31 2cpt s LYS 88 CO 0.58 -2.48 -0.09 0.15 -0.36 0.00 0.00 175.35 173.15 2cpt s LYS 89 N 6.57 1.34 0.59 4.03 1.02 -1.26 -5.15 119.74 126.87 2cpt s LYS 89 Ca 0.63 -1.63 -0.07 0.00 0.02 0.00 0.00 55.97 54.91 2cpt s LYS 89 Cb -0.13 -0.94 -0.01 0.00 -0.52 0.00 0.00 37.83 36.24 2cpt s LYS 89 CO 0.22 0.07 0.93 0.00 -0.92 0.00 0.00 175.35 175.65 2cpt s ALA 90 N -3.13 3.22 -0.56 5.17 0.00 -1.26 -4.94 121.76 120.26 2cpt s ALA 90 Ca 0.24 -0.52 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 2cpt s ALA 90 Cb 0.02 -2.74 -0.08 0.00 0.00 0.00 0.00 23.12 20.33 2cpt s ALA 90 CO 0.07 -0.76 2.37 -1.14 0.00 0.00 0.00 175.76 176.30 2cpt s GLN 91 N -5.03 2.04 0.49 0.00 0.74 -1.26 -4.90 119.66 111.74 2cpt s GLN 91 Ca 0.53 1.16 -0.21 0.00 0.05 0.00 0.00 55.36 56.90 2cpt s GLN 91 Cb -0.11 -4.62 -0.10 0.00 1.10 0.00 0.00 33.01 29.29 2cpt s GLN 91 CO 0.47 -3.47 0.75 0.36 -0.55 0.00 0.00 175.29 172.86 2cpt n LYS 92 N 8.99 0.84 -2.22 1.67 -0.00 -1.26 -4.89 118.16 121.29 2cpt n LYS 92 Ca 0.37 0.31 -0.42 0.00 -0.00 0.00 0.00 58.31 58.58 2cpt n LYS 92 Cb 0.53 -1.83 -0.03 0.00 -0.00 0.00 0.00 35.03 33.69 2cpt n LYS 92 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2cpt s PRO 93 N -2.04 4.38 0.02 -1.58 0.04 -1.26 -5.01 135.00 129.53 2cpt s PRO 93 Ca 0.67 2.04 -0.19 0.00 0.04 0.00 0.00 61.00 63.57 2cpt s PRO 93 Cb -0.51 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 30.75 2cpt s PRO 93 CO 0.55 -0.29 0.53 0.54 0.04 0.00 0.00 177.00 178.37 2cpt s VAL 94 N 0.37 4.89 0.79 -0.36 0.11 -1.26 -5.08 120.40 119.86 2cpt s VAL 94 Ca 0.58 1.12 -0.12 0.00 -2.93 0.00 0.00 61.98 60.64 2cpt s VAL 94 Cb -0.36 -3.86 0.07 0.00 -1.53 0.00 0.00 36.38 30.69 2cpt s VAL 94 CO 0.36 0.50 1.15 -0.75 -3.33 0.00 0.00 175.10 173.03 2cpt s LYS 95 N -0.68 2.13 -0.06 1.54 2.20 -1.26 -5.06 119.74 118.55 2cpt s LYS 95 Ca 0.28 0.24 -0.07 0.00 -0.36 0.00 0.00 55.97 56.06 2cpt s LYS 95 Cb -0.18 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.14 2cpt s LYS 95 CO 0.17 -1.50 0.20 -1.83 -0.36 0.00 0.00 175.35 172.03 2cpt s GLU 96 N -5.48 3.52 -0.09 4.03 -1.05 -1.26 -4.80 118.70 113.58 2cpt s GLU 96 Ca 0.61 -0.09 -0.01 0.00 -0.15 0.00 0.00 54.97 55.33 2cpt s GLU 96 Cb -0.11 -3.15 0.00 0.00 -0.44 0.00 0.00 34.13 30.42 2cpt s GLU 96 CO 0.50 0.73 0.02 0.41 0.95 0.00 0.00 175.26 177.87 2cpt n GLY 97 N 1.61 -3.41 3.87 -3.83 0.00 -1.26 -5.05 105.19 97.13 2cpt n GLY 97 Ca -0.16 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 2cpt n GLY 97 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2cpt s GLN 98 N -0.61 3.37 -0.02 1.61 1.03 -1.26 -5.03 119.66 118.75 2cpt s GLN 98 Ca -0.02 -0.30 -0.26 0.00 0.04 0.00 0.00 55.36 54.82 2cpt s GLN 98 Cb 0.00 -3.08 -0.20 0.00 0.03 0.00 0.00 33.01 29.76 2cpt s GLN 98 CO 0.25 0.70 1.27 -1.00 -2.54 0.00 0.00 175.29 173.98 2cpt h PRO 99 N 4.20 0.02 -2.03 9.60 0.13 -2.02 -3.48 132.00 138.43 2cpt h PRO 99 Ca -0.51 -0.01 0.11 0.00 -0.87 0.00 0.00 66.00 64.72 2cpt h PRO 99 Cb 1.20 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 2cpt h PRO 99 CO 0.65 0.50 0.53 -1.12 -0.23 0.00 0.00 178.00 178.33 2cpt s SER 100 N -5.72 -0.35 0.28 1.44 0.01 -1.26 -5.16 113.70 102.95 2cpt s SER 100 Ca -0.16 0.11 -0.29 0.00 1.31 0.00 0.00 55.95 56.92 2cpt s SER 100 Cb 0.02 0.35 -0.10 0.00 0.21 0.00 0.00 66.02 66.50 2cpt s SER 100 CO 0.68 -0.52 1.24 -2.16 0.41 0.00 0.00 173.24 172.89 2cpt s PRO 101 N -2.52 4.45 0.18 12.44 0.04 -1.26 -5.01 135.00 143.31 2cpt s PRO 101 Ca 0.03 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 62.85 2cpt s PRO 101 Cb -0.01 -3.14 -0.08 0.00 0.04 0.00 0.00 34.50 31.32 2cpt s PRO 101 CO -0.06 -0.08 0.85 0.00 0.04 0.00 0.00 177.00 177.75 2cpt s ALA 102 N -0.85 3.39 0.20 8.56 0.00 -1.26 -4.98 121.76 126.82 2cpt s ALA 102 Ca 0.49 0.46 -0.31 0.00 0.00 0.00 0.00 51.96 52.61 2cpt s ALA 102 Cb -0.37 -3.07 -0.16 0.00 0.00 0.00 0.00 23.12 19.52 2cpt s ALA 102 CO 0.46 0.22 1.01 -0.25 0.00 0.00 0.00 175.76 177.20 2cpt n ASP 103 N 1.73 0.80 -4.74 0.00 9.92 -1.26 -4.91 116.55 118.10 2cpt n ASP 103 Ca -0.04 1.15 -0.40 0.00 -0.53 0.00 0.00 54.79 54.97 2cpt n ASP 103 Cb 0.48 -1.17 -0.05 0.00 -0.64 0.00 0.00 41.12 39.74 2cpt n ASP 103 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2cpt s GLU 104 N -0.78 4.61 -0.74 -1.24 -1.05 -1.26 -5.02 118.70 113.21 2cpt s GLU 104 Ca 0.69 1.26 -0.03 0.00 -0.15 0.00 0.00 54.97 56.74 2cpt s GLU 104 Cb -0.85 -3.36 0.19 0.00 -0.44 0.00 0.00 34.13 29.67 2cpt s GLU 104 CO 0.55 0.28 0.59 0.21 0.95 0.00 0.00 175.26 177.85 2cpt s LYS 105 N -0.16 2.89 0.05 -4.83 2.36 -1.26 -5.05 119.74 113.75 2cpt s LYS 105 Ca 0.42 -2.86 0.04 0.00 -2.55 0.00 0.00 55.97 51.03 2cpt s LYS 105 Cb -0.22 -3.84 -0.03 0.00 -1.05 0.00 0.00 37.83 32.69 2cpt s LYS 105 CO 0.27 -1.22 -0.13 0.20 1.55 0.00 0.00 175.35 176.02 2cpt s GLY 106 N 0.34 0.75 0.19 5.54 0.00 -1.26 -5.16 107.32 107.72 2cpt s GLY 106 Ca 0.21 -0.87 0.10 0.00 0.00 0.00 0.00 44.72 44.16 2cpt s GLY 106 CO -0.07 -0.89 -0.16 -1.31 0.00 0.00 0.00 173.10 170.66 2cpt s ASN 107 N -1.48 3.88 0.69 1.64 -0.87 -1.26 -5.15 114.94 112.40 2cpt s ASN 107 Ca -0.02 -0.72 -0.01 0.00 -1.57 0.00 0.00 52.86 50.54 2cpt s ASN 107 Cb -0.09 -0.51 0.11 0.00 -0.02 0.00 0.00 41.25 40.74 2cpt s ASN 107 CO 0.02 0.11 0.96 1.51 -2.57 0.00 0.00 177.10 177.12 2cpt s ASP 108 N -2.78 4.54 -0.11 -1.22 1.47 -1.26 -5.10 116.67 112.20 2cpt s ASP 108 Ca 0.23 -0.23 0.01 0.00 1.18 0.00 0.00 52.55 53.74 2cpt s ASP 108 Cb -0.08 -0.27 -0.02 0.00 -0.34 0.00 0.00 42.92 42.22 2cpt s ASP 108 CO 0.13 -1.72 -0.14 -0.55 0.68 0.00 0.00 175.17 173.57 2cpt s SER 109 N -4.66 3.95 0.15 2.11 0.15 -1.26 -5.11 113.70 109.03 2cpt s SER 109 Ca 0.64 -0.32 -0.16 0.00 0.70 0.00 0.00 55.95 56.81 2cpt s SER 109 Cb -0.07 -1.47 0.03 0.00 -1.71 0.00 0.00 66.02 62.80 2cpt s SER 109 CO 0.43 0.19 0.44 1.51 1.20 0.00 0.00 173.24 177.01 2cpt s ASP 110 N 0.17 -0.23 0.04 5.45 1.47 -1.26 -5.18 116.67 117.14 2cpt s ASP 110 Ca -0.08 -0.42 -0.05 0.00 1.18 0.00 0.00 52.55 53.19 2cpt s ASP 110 Cb -0.15 0.51 0.02 0.00 -0.34 0.00 0.00 42.92 42.95 2cpt s ASP 110 CO 0.05 -0.93 0.23 0.61 0.68 0.00 0.00 175.17 175.81 2cpt n GLY 111 N -0.27 1.16 3.88 2.12 0.00 -1.26 -5.17 105.19 105.66 2cpt n GLY 111 Ca -0.13 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 2cpt n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cpt s SER 112 N -1.55 6.57 0.44 1.61 1.04 -1.26 -5.07 113.70 115.48 2cpt s SER 112 Ca 0.05 0.84 -0.23 0.00 0.48 0.00 0.00 55.95 57.09 2cpt s SER 112 Cb -0.01 -2.19 -0.08 0.00 0.10 0.00 0.00 66.02 63.84 2cpt s SER 112 CO 0.01 -0.08 1.08 -0.83 0.98 0.00 0.00 173.24 174.40 2cpt s GLY 113 N -2.53 2.71 0.27 7.32 0.00 -1.26 -5.00 107.32 108.83 2cpt s GLY 113 Ca 0.46 0.76 -0.29 0.00 0.00 0.00 0.00 44.72 45.64 2cpt s GLY 113 CO 0.23 1.17 1.25 2.56 0.00 0.00 0.00 173.10 178.32 2cpt s PRO 114 N -2.70 4.44 0.06 2.90 0.04 -1.26 -5.03 135.00 133.45 2cpt s PRO 114 Ca 0.62 2.05 -0.26 0.00 0.04 0.00 0.00 61.00 63.44 2cpt s PRO 114 Cb -0.23 -3.15 0.07 0.00 0.04 0.00 0.00 34.50 31.24 2cpt s PRO 114 CO 0.28 -0.11 0.66 -1.12 0.04 0.00 0.00 177.00 176.75 2cpt s SER 115 N -0.28 -0.59 -0.02 6.66 0.01 -1.26 -5.07 113.70 113.15 2cpt s SER 115 Ca 0.51 0.28 -0.26 0.00 1.31 0.00 0.00 55.95 57.79 2cpt s SER 115 Cb -0.37 0.56 -0.20 0.00 0.21 0.00 0.00 66.02 66.22 2cpt s SER 115 CO 0.45 -0.80 1.25 -1.28 0.41 0.00 0.00 173.24 173.27 2cpt h SER 116 N 2.39 0.01 0.00 2.44 0.87 -2.07 -3.56 113.55 113.63 2cpt h SER 116 Ca -0.30 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 59.75 2cpt h SER 116 Cb 1.24 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2cpt h SER 116 CO 0.38 0.51 0.00 0.61 -0.53 0.00 0.00 176.83 177.80