#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b1g s SER 2 N 0.00 6.42 0.26 4.39 1.04 -1.26 -4.90 113.70 119.64 1b1g s SER 2 Ca 0.00 1.65 -0.02 0.00 0.48 0.00 0.00 55.95 58.06 1b1g s SER 2 Cb 0.00 -2.52 0.48 0.00 0.10 0.00 0.00 66.02 64.09 1b1g s SER 2 CO 0.00 -0.73 1.81 1.55 0.98 0.00 0.00 173.24 176.85 1b1g h PRO 3 N 0.86 0.81 -0.13 4.02 0.13 -2.00 -0.70 132.00 134.98 1b1g h PRO 3 Ca -0.47 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.56 1b1g h PRO 3 Cb 1.19 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1b1g h PRO 3 CO 0.60 0.53 -0.16 0.93 -0.23 0.00 0.00 178.00 179.68 1b1g h GLU 4 N 0.83 0.21 -0.27 0.86 3.07 -1.98 0.25 114.58 117.55 1b1g h GLU 4 Ca 0.45 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.23 1b1g h GLU 4 Cb 0.47 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1b1g h GLU 4 CO -0.28 0.38 0.06 0.93 -1.40 0.00 0.00 179.01 178.70 1b1g h GLU 5 N 0.20 0.44 -0.35 2.33 4.39 -1.53 -0.44 114.58 119.62 1b1g h GLU 5 Ca 0.04 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 1b1g h GLU 5 Cb 0.41 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1b1g h GLU 5 CO 0.03 0.54 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.30 1b1g h LEU 6 N 0.27 0.54 -0.14 1.33 3.38 -0.54 0.88 115.31 121.04 1b1g h LEU 6 Ca 0.08 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1b1g h LEU 6 Cb 0.30 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1b1g h LEU 6 CO 0.00 0.64 -0.00 0.50 0.09 0.00 0.00 178.44 179.67 1b1g h LYS 7 N 0.54 0.04 0.16 1.13 3.64 -0.37 0.13 116.57 121.85 1b1g h LYS 7 Ca 0.11 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1b1g h LYS 7 Cb 0.41 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1b1g h LYS 7 CO 0.02 0.03 -0.19 0.78 -2.27 0.00 0.00 179.45 177.81 1b1g h GLY 8 N 0.04 -0.39 0.38 5.01 0.00 -0.05 0.21 103.07 108.27 1b1g h GLY 8 Ca 0.06 0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.67 1b1g h GLY 8 CO -0.11 -0.18 -0.16 -2.22 0.00 0.00 0.00 176.54 173.87 1b1g h ILE 9 N -0.40 0.56 0.04 2.60 1.08 -0.79 0.89 117.51 121.50 1b1g h ILE 9 Ca 0.01 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.51 1b1g h ILE 9 Cb 0.39 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 34.66 1b1g h ILE 9 CO -0.07 0.00 -0.37 0.15 -0.69 0.00 0.00 178.15 177.17 1b1g h PHE 10 N -0.17 -1.02 -0.55 1.37 3.04 -0.48 -0.49 116.94 118.63 1b1g h PHE 10 Ca 0.11 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.13 1b1g h PHE 10 Cb 0.34 0.44 -0.04 0.00 2.56 0.00 0.00 35.95 39.26 1b1g h PHE 10 CO -0.30 -0.46 0.32 1.49 -2.02 0.00 0.00 178.31 177.34 1b1g h GLU 11 N -0.55 0.60 0.42 1.11 4.81 -0.41 0.18 114.58 120.74 1b1g h GLU 11 Ca 0.04 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1b1g h GLU 11 Cb 0.62 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1b1g h GLU 11 CO -0.26 0.40 -0.48 0.87 -0.73 0.00 0.00 179.01 178.80 1b1g h LYS 12 N 0.62 -0.89 -0.25 1.92 1.57 -0.58 -2.70 116.57 116.25 1b1g h LYS 12 Ca 0.23 0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.92 1b1g h LYS 12 Cb 0.07 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1b1g h LYS 12 CO -0.12 -0.59 -0.44 1.88 -0.57 0.00 0.00 179.45 179.60 1b1g h TYR 13 N -0.92 0.77 -0.19 -1.35 -1.99 -0.87 -2.91 116.97 109.51 1b1g h TYR 13 Ca -0.04 -0.24 0.05 0.00 2.00 0.00 0.00 58.73 60.50 1b1g h TYR 13 Cb 0.82 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.39 1b1g h TYR 13 CO -0.27 0.97 0.40 0.00 -0.00 0.00 0.00 178.16 179.26 1b1g h ALA 14 N 0.99 1.71 -0.34 3.88 0.00 -0.51 0.63 119.26 125.62 1b1g h ALA 14 Ca 0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1b1g h ALA 14 Cb 0.97 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1b1g h ALA 14 CO 0.09 -0.50 -0.27 0.00 0.00 0.00 0.00 179.25 178.57 1b1g h ALA 15 N 1.37 0.88 0.26 0.00 0.00 -1.27 -3.36 119.26 117.15 1b1g h ALA 15 Ca 0.09 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1b1g h ALA 15 Cb 0.89 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1b1g h ALA 15 CO -0.00 0.63 -0.33 -0.22 0.00 0.00 0.00 179.25 179.32 1b1g h LYS 16 N 0.61 -0.59 -6.77 0.00 1.63 -1.01 -3.40 116.57 107.03 1b1g h LYS 16 Ca 0.08 0.04 -0.49 0.00 -0.85 0.00 0.00 60.65 59.43 1b1g h LYS 16 Cb 0.77 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.52 1b1g h LYS 16 CO 0.06 -0.39 0.34 -1.21 -3.45 0.00 0.00 179.45 174.80 1b1g s GLU 17 N -4.82 4.79 0.00 1.90 2.02 -1.26 -4.92 118.70 116.41 1b1g s GLU 17 Ca -0.11 1.44 0.00 0.00 0.02 0.00 0.00 54.97 56.32 1b1g s GLU 17 Cb 0.03 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 31.09 1b1g s GLU 17 CO 0.39 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.54 1b1g n GLY 18 N 1.28 0.00 3.59 -1.39 0.00 -1.26 -4.55 105.19 102.86 1b1g n GLY 18 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1b1g n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b1g n ASP 19 N -0.33 0.76 0.16 1.61 -0.08 -1.26 -4.94 116.55 112.47 1b1g n ASP 19 Ca 0.00 0.92 0.12 0.00 -1.51 0.00 0.00 54.79 54.32 1b1g n ASP 19 Cb 0.00 -1.33 0.12 0.00 2.34 0.00 0.00 41.12 42.24 1b1g n ASP 19 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1b1g h PRO 20 N 1.04 0.00 0.00 -0.67 0.13 -1.80 -3.39 132.00 127.31 1b1g h PRO 20 Ca -0.46 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.49 1b1g h PRO 20 Cb 1.35 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 1b1g h PRO 20 CO 0.54 0.00 -1.70 -1.71 -0.23 0.00 0.00 178.00 174.90 1b1g n ASN 21 N -2.83 2.76 -4.95 1.44 5.15 -1.26 -3.97 115.26 111.60 1b1g n ASN 21 Ca 0.03 -0.03 -0.24 0.00 -0.60 0.00 0.00 54.58 53.74 1b1g n ASN 21 Cb 0.53 0.32 -0.02 0.00 -0.53 0.00 0.00 39.78 40.07 1b1g n ASN 21 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1b1g s GLN 22 N -2.25 3.47 -0.51 1.20 1.11 -1.26 -4.49 119.66 116.93 1b1g s GLN 22 Ca -0.10 -0.56 -0.16 0.00 0.01 0.00 0.00 55.36 54.54 1b1g s GLN 22 Cb 0.04 -2.85 0.09 0.00 -1.01 0.00 0.00 33.01 29.28 1b1g s GLN 22 CO 0.35 0.39 0.49 -0.51 0.01 0.00 0.00 175.29 176.02 1b1g s LEU 23 N -3.77 5.70 0.95 2.90 1.43 0.63 -4.51 118.68 122.01 1b1g s LEU 23 Ca 0.36 -1.43 -0.10 0.00 -1.03 0.00 0.00 54.13 51.93 1b1g s LEU 23 Cb -0.10 -2.24 0.16 0.00 0.03 0.00 0.00 46.19 44.05 1b1g s LEU 23 CO 0.30 -0.79 1.13 -1.20 0.23 0.00 0.00 176.35 176.02 1b1g n SER 24 N 5.44 0.09 -0.20 2.29 7.64 -1.26 0.13 113.62 127.75 1b1g n SER 24 Ca -0.12 0.36 -0.10 0.00 1.01 0.00 0.00 58.87 60.02 1b1g n SER 24 Cb 0.43 -1.45 -0.08 0.00 -1.01 0.00 0.00 64.21 62.10 1b1g n SER 24 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1b1g h LYS 25 N -1.99 -0.18 0.00 1.43 3.64 -1.95 0.27 116.57 117.79 1b1g h LYS 25 Ca -0.45 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1b1g h LYS 25 Cb 1.28 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1b1g h LYS 25 CO 0.42 -0.12 0.00 0.39 -2.27 0.00 0.00 179.45 177.87 1b1g n GLU 26 N -4.75 0.61 -0.11 1.90 -0.58 -1.26 -1.79 120.64 114.66 1b1g n GLU 26 Ca -0.01 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.50 1b1g n GLU 26 Cb 0.24 -1.19 -0.11 0.00 -0.57 0.00 0.00 31.44 29.80 1b1g n GLU 26 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1b1g n GLU 27 N -0.69 0.63 -0.21 3.49 2.13 0.53 -4.25 120.64 122.27 1b1g n GLU 27 Ca 0.06 0.26 0.10 0.00 0.66 0.00 0.00 57.16 58.23 1b1g n GLU 27 Cb 0.03 -1.56 0.39 0.00 0.27 0.00 0.00 31.44 30.56 1b1g n GLU 27 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1b1g h LEU 28 N -0.47 0.61 -0.21 4.31 5.85 -0.09 -2.96 115.31 122.35 1b1g h LEU 28 Ca -0.58 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.18 1b1g h LEU 28 Cb 1.75 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.65 1b1g h LEU 28 CO -0.20 0.35 -0.12 1.17 -0.34 0.00 0.00 178.44 179.30 1b1g n LYS 29 N -4.51 -0.09 -0.26 1.25 3.00 -0.74 -0.65 118.16 116.16 1b1g n LYS 29 Ca 0.14 0.99 -0.05 0.00 -0.00 0.00 0.00 58.31 59.38 1b1g n LYS 29 Cb 0.38 -1.47 0.06 0.00 0.00 0.00 0.00 35.03 33.99 1b1g n LYS 29 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1b1g h LEU 30 N 0.00 0.86 0.18 3.14 3.38 -1.72 -2.55 115.31 118.60 1b1g h LEU 30 Ca 0.03 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1b1g h LEU 30 Cb 0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1b1g h LEU 30 CO -0.19 0.67 -0.51 0.25 0.09 0.00 0.00 178.44 178.75 1b1g h LEU 31 N 0.98 -1.50 0.03 1.67 6.46 -1.24 0.11 115.31 121.82 1b1g h LEU 31 Ca 0.26 0.15 0.03 0.00 -0.12 0.00 0.00 57.88 58.20 1b1g h LEU 31 Cb -0.04 0.55 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 1b1g h LEU 31 CO -0.05 -0.57 -0.27 -0.07 -0.62 0.00 0.00 178.44 176.86 1b1g h LEU 32 N -0.78 -0.81 -0.23 2.25 3.38 -0.74 0.80 115.31 119.19 1b1g h LEU 32 Ca -0.01 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1b1g h LEU 32 Cb 0.77 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1b1g h LEU 32 CO -0.25 -0.35 0.05 1.56 0.09 0.00 0.00 178.44 179.55 1b1g h GLN 33 N -0.44 0.37 -0.07 1.13 4.20 -1.33 0.18 115.11 119.15 1b1g h GLN 33 Ca 0.05 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1b1g h GLN 33 Cb 0.51 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1b1g h GLN 33 CO -0.22 0.49 -0.12 1.15 -0.67 0.00 0.00 178.83 179.46 1b1g h THR 34 N 0.18 1.41 0.01 -0.54 2.02 -0.66 -3.36 112.91 111.97 1b1g h THR 34 Ca 0.07 -1.41 -0.37 0.00 0.77 0.00 0.00 66.41 65.47 1b1g h THR 34 Cb 0.29 2.18 -0.06 0.00 -1.74 0.00 0.00 68.15 68.82 1b1g h THR 34 CO 0.00 0.39 -2.33 -0.62 0.37 0.00 0.00 175.52 173.33 1b1g n GLU 35 N -4.64 0.67 -1.34 6.66 -0.58 0.26 -4.67 120.64 117.00 1b1g n GLU 35 Ca -0.08 0.12 -0.15 0.00 -0.42 0.00 0.00 57.16 56.63 1b1g n GLU 35 Cb 0.36 -1.56 0.11 0.00 -0.57 0.00 0.00 31.44 29.78 1b1g n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1b1g n PHE 36 N -3.08 1.89 -0.27 -0.32 3.01 0.61 -4.86 117.46 114.43 1b1g n PHE 36 Ca -0.37 -2.03 -0.06 0.00 1.01 0.00 0.00 57.45 55.99 1b1g n PHE 36 Cb 1.06 -0.53 0.06 0.00 -0.01 0.00 0.00 39.48 40.06 1b1g n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1b1g h PRO 37 N 1.61 1.13 0.18 -1.08 0.13 -1.68 -2.74 132.00 129.55 1b1g h PRO 37 Ca 0.30 -0.21 -0.31 0.00 -0.87 0.00 0.00 66.00 64.92 1b1g h PRO 37 Cb 1.41 -0.18 0.02 0.00 0.13 0.00 0.00 31.00 32.38 1b1g h PRO 37 CO 0.64 0.93 -1.38 0.66 -0.23 0.00 0.00 178.00 178.63 1b1g h SER 38 N 1.09 0.60 -0.21 1.44 4.64 -1.91 -3.31 113.55 115.89 1b1g h SER 38 Ca 0.25 -0.66 0.06 0.00 -0.47 0.00 0.00 61.79 60.97 1b1g h SER 38 Cb 0.23 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1b1g h SER 38 CO -0.02 1.52 0.16 -0.07 -0.87 0.00 0.00 176.83 177.55 1b1g h LEU 39 N 0.11 0.00 -5.85 5.97 3.38 -1.87 -2.80 115.31 114.24 1b1g h LEU 39 Ca -0.20 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.34 1b1g h LEU 39 Cb 2.06 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.84 1b1g h LEU 39 CO 0.23 0.00 2.34 0.18 0.09 0.00 0.00 178.44 181.28 1b1g n LEU 40 N -4.35 4.14 -3.35 1.67 4.77 -1.06 -4.76 117.00 114.07 1b1g n LEU 40 Ca 0.02 -2.69 -0.37 0.00 -0.03 0.00 0.00 56.01 52.94 1b1g n LEU 40 Cb 0.30 -1.03 -0.02 0.00 -2.33 0.00 0.00 43.42 40.34 1b1g n LEU 40 CO 0.34 0.09 3.11 0.29 -1.33 0.00 0.00 177.39 179.88 1b1g n LYS 41 N 5.24 3.26 -3.21 3.23 5.02 -1.06 -4.71 118.16 125.93 1b1g n LYS 41 Ca 0.42 -2.11 0.00 0.00 -2.02 0.00 0.00 58.31 54.60 1b1g n LYS 41 Cb 0.21 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.42 1b1g n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b1g n GLY 42 N 3.71 -1.40 0.00 0.72 0.00 -1.26 -5.14 105.19 101.81 1b1g n GLY 42 Ca 0.69 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1b1g n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b1g n GLY 43 N -0.14 0.34 3.69 -0.02 0.00 -1.26 -5.00 105.19 102.80 1b1g n GLY 43 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1b1g n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1b1g n SER 44 N 0.00 -5.32 -3.22 1.61 7.64 -1.26 -4.92 113.62 108.15 1b1g n SER 44 Ca 0.00 -0.85 -0.22 0.00 1.01 0.00 0.00 58.87 58.81 1b1g n SER 44 Cb 0.00 -2.41 0.19 0.00 -1.01 0.00 0.00 64.21 60.99 1b1g n SER 44 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1b1g n THR 45 N -2.82 0.00 -0.26 0.44 -2.24 -1.26 -4.16 114.28 103.98 1b1g n THR 45 Ca -0.23 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.24 1b1g n THR 45 Cb 0.64 -0.98 -0.07 0.00 -2.10 0.00 0.00 70.33 67.82 1b1g n THR 45 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1b1g h LEU 46 N 0.00 -1.84 0.55 3.22 5.85 -1.99 -0.53 115.31 120.57 1b1g h LEU 46 Ca -0.29 0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1b1g h LEU 46 Cb 0.93 0.80 -0.02 0.00 0.37 0.00 0.00 40.66 42.75 1b1g h LEU 46 CO 0.18 -0.32 -0.50 0.44 -0.34 0.00 0.00 178.44 177.90 1b1g h ASP 47 N -0.20 -1.34 -0.96 1.25 3.32 -1.97 0.22 116.42 116.74 1b1g h ASP 47 Ca 0.15 0.10 0.22 0.00 0.02 0.00 0.00 57.03 57.52 1b1g h ASP 47 Cb 0.53 0.44 -0.08 0.00 0.22 0.00 0.00 39.33 40.44 1b1g h ASP 47 CO -0.76 -0.68 0.62 -0.33 -1.72 0.00 0.00 179.24 176.38 1b1g h GLU 48 N -1.03 0.45 0.00 3.56 5.08 -1.70 0.20 114.58 121.14 1b1g h GLU 48 Ca -0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1b1g h GLU 48 Cb 0.88 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1b1g h GLU 48 CO -0.03 0.30 -0.08 1.25 -1.00 0.00 0.00 179.01 179.44 1b1g h LEU 49 N 0.46 0.00 -0.84 1.33 5.85 -0.50 -3.36 115.31 118.25 1b1g h LEU 49 Ca 0.52 -0.20 0.20 0.00 0.84 0.00 0.00 57.88 59.23 1b1g h LEU 49 Cb 1.21 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.12 1b1g h LEU 49 CO -0.23 0.64 0.30 0.15 -0.34 0.00 0.00 178.44 178.96 1b1g h PHE 50 N -1.00 0.49 -0.14 1.25 3.04 -0.40 -2.80 116.94 117.38 1b1g h PHE 50 Ca -0.01 0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.90 1b1g h PHE 50 Cb 0.27 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 1b1g h PHE 50 CO 0.03 -0.07 -0.30 1.05 -2.02 0.00 0.00 178.31 177.01 1b1g h GLU 51 N 0.34 0.26 -0.12 1.11 -0.00 -0.76 0.40 114.58 115.82 1b1g h GLU 51 Ca 0.50 -0.10 -0.01 0.00 -0.00 0.00 0.00 59.36 59.76 1b1g h GLU 51 Cb 0.92 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 29.65 1b1g h GLU 51 CO -0.53 0.54 0.05 1.49 -0.00 0.00 0.00 179.01 180.56 1b1g h GLU 52 N 0.23 0.17 0.27 1.06 4.81 -1.66 -3.33 114.58 116.13 1b1g h GLU 52 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1b1g h GLU 52 Cb 0.65 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1b1g h GLU 52 CO 0.05 0.26 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.21 1b1g h LEU 53 N 0.04 -0.84 -8.12 1.64 3.38 -0.59 -3.37 115.31 107.46 1b1g h LEU 53 Ca 0.04 0.08 -0.48 0.00 0.09 0.00 0.00 57.88 57.61 1b1g h LEU 53 Cb 0.15 0.29 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 1b1g h LEU 53 CO -0.00 -0.43 1.26 -0.62 0.09 0.00 0.00 178.44 178.74 1b1g s ASP 54 N -4.69 5.93 0.10 -0.43 2.15 0.11 -4.81 116.67 115.04 1b1g s ASP 54 Ca -0.16 -1.29 -0.21 0.00 0.43 0.00 0.00 52.55 51.32 1b1g s ASP 54 Cb 0.07 -2.57 -0.05 0.00 -0.30 0.00 0.00 42.92 40.06 1b1g s ASP 54 CO 0.64 -2.05 1.36 0.11 -0.17 0.00 0.00 175.17 175.06 1b1g h LYS 55 N 10.11 -0.07 -0.81 4.34 1.57 -1.84 -3.11 116.57 126.75 1b1g h LYS 55 Ca 0.19 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.62 1b1g h LYS 55 Cb 0.99 0.02 -0.24 0.00 0.08 0.00 0.00 32.23 33.07 1b1g h LYS 55 CO 1.34 -0.05 -0.74 -1.71 -0.57 0.00 0.00 179.45 177.72 1b1g n ASN 56 N -4.50 -1.49 0.00 0.86 2.85 -1.26 -4.96 115.26 106.76 1b1g n ASN 56 Ca 0.00 -3.17 0.00 0.00 -0.11 0.00 0.00 54.58 51.31 1b1g n ASN 56 Cb 0.19 0.86 0.00 0.00 1.24 0.00 0.00 39.78 42.07 1b1g n ASN 56 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1b1g n GLY 57 N 1.20 1.56 0.00 8.20 0.00 -1.18 -5.04 105.19 109.93 1b1g n GLY 57 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1b1g n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b1g n ASP 58 N -0.44 0.00 0.00 1.61 5.75 -1.26 -5.01 116.55 117.20 1b1g n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1b1g n ASP 58 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1b1g n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b1g n GLY 59 N 0.00 -0.70 3.01 6.12 0.00 -1.26 -5.09 105.19 107.26 1b1g n GLY 59 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1b1g n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b1g s GLU 60 N -0.46 0.19 0.96 1.61 2.02 -1.26 -3.33 118.70 118.43 1b1g s GLU 60 Ca 0.00 0.05 -0.13 0.00 0.02 0.00 0.00 54.97 54.91 1b1g s GLU 60 Cb 0.00 0.08 0.17 0.00 0.10 0.00 0.00 34.13 34.48 1b1g s GLU 60 CO 0.00 -0.03 1.14 0.08 0.02 0.00 0.00 175.26 176.47 1b1g s VAL 61 N -0.20 1.96 0.12 2.63 1.01 0.12 -4.80 120.40 121.24 1b1g s VAL 61 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 1b1g s VAL 61 Cb -0.02 -2.70 0.06 0.00 0.00 0.00 0.00 36.38 33.71 1b1g s VAL 61 CO 0.00 0.00 0.54 -0.94 0.00 0.00 0.00 175.10 174.70 1b1g s SER 62 N -3.99 -0.46 0.29 3.32 1.04 -1.26 -0.27 113.70 112.37 1b1g s SER 62 Ca 0.65 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.08 1b1g s SER 62 Cb -0.14 0.54 0.69 0.00 0.10 0.00 0.00 66.02 67.21 1b1g s SER 62 CO 0.54 -0.87 1.60 0.15 0.98 0.00 0.00 173.24 175.65 1b1g h PHE 63 N 2.31 0.07 -0.76 5.02 3.57 -1.96 0.16 116.94 125.36 1b1g h PHE 63 Ca -0.33 0.06 0.15 0.00 3.53 0.00 0.00 57.97 61.38 1b1g h PHE 63 Cb 1.27 0.12 -0.14 0.00 2.79 0.00 0.00 35.95 39.98 1b1g h PHE 63 CO 0.29 -0.34 -0.23 1.49 -2.23 0.00 0.00 178.31 177.29 1b1g h GLU 64 N 0.08 -0.03 0.12 1.11 4.57 -1.96 -0.72 114.58 117.75 1b1g h GLU 64 Ca 0.55 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 58.43 1b1g h GLU 64 Cb 1.12 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1b1g h GLU 64 CO -0.80 -0.02 -1.55 1.05 -1.18 0.00 0.00 179.01 176.51 1b1g h GLU 65 N -0.03 0.24 -0.65 1.92 4.11 -1.14 -3.32 114.58 115.71 1b1g h GLU 65 Ca 0.35 -0.42 0.19 0.00 0.07 0.00 0.00 59.36 59.55 1b1g h GLU 65 Cb 0.57 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1b1g h GLU 65 CO -0.79 1.10 0.53 0.35 0.07 0.00 0.00 179.01 180.27 1b1g h PHE 66 N 0.07 0.00 -0.17 2.06 3.57 0.17 0.92 116.94 123.57 1b1g h PHE 66 Ca -0.25 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.30 1b1g h PHE 66 Cb 2.02 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.75 1b1g h PHE 66 CO 0.06 0.00 0.20 1.96 -2.23 0.00 0.00 178.31 178.30 1b1g h GLN 67 N 0.00 0.00 -0.94 1.11 1.08 -1.27 0.38 115.11 115.47 1b1g h GLN 67 Ca 0.31 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.56 1b1g h GLN 67 Cb 1.36 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.73 1b1g h GLN 67 CO -0.00 0.00 0.61 0.28 -0.95 0.00 0.00 178.83 178.77 1b1g h VAL 68 N 0.00 1.10 -0.20 -0.54 2.07 -1.06 0.17 116.25 117.79 1b1g h VAL 68 Ca 0.08 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.08 1b1g h VAL 68 Cb 0.48 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1b1g h VAL 68 CO -0.00 0.20 -0.42 0.25 0.02 0.00 0.00 177.57 177.62 1b1g h LEU 69 N 1.12 0.72 -1.83 2.57 5.85 -0.43 -2.08 115.31 121.22 1b1g h LEU 69 Ca 0.39 -0.55 0.20 0.00 0.84 0.00 0.00 57.88 58.76 1b1g h LEU 69 Cb 0.13 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1b1g h LEU 69 CO -0.14 1.14 0.53 0.58 -0.34 0.00 0.00 178.44 180.20 1b1g h VAL 70 N 0.32 0.68 -0.43 1.05 2.07 -0.57 0.56 116.25 119.93 1b1g h VAL 70 Ca 0.00 -0.05 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 1b1g h VAL 70 Cb 1.02 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1b1g h VAL 70 CO 0.09 0.03 -0.28 0.50 0.02 0.00 0.00 177.57 177.93 1b1g h LYS 71 N 0.15 0.94 0.00 1.57 3.64 -0.58 -3.35 116.57 118.95 1b1g h LYS 71 Ca 0.37 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1b1g h LYS 71 Cb 1.23 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1b1g h LYS 71 CO -0.06 1.11 -0.53 0.87 -2.27 0.00 0.00 179.45 178.57 1b1g h LYS 72 N 0.78 0.00 -0.75 1.90 1.57 0.67 -3.34 116.57 117.40 1b1g h LYS 72 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1b1g h LYS 72 Cb 0.87 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 1b1g h LYS 72 CO 0.08 0.00 0.43 -0.84 -0.57 0.00 0.00 179.45 178.55 1b1g h ILE 73 N 0.00 1.21 -0.05 1.86 3.07 -0.74 -0.16 117.51 122.71 1b1g h ILE 73 Ca 0.00 -0.49 -0.02 0.00 1.55 0.00 0.00 64.86 65.90 1b1g h ILE 73 Cb 0.91 0.18 -0.01 0.00 -0.27 0.00 0.00 36.82 37.63 1b1g h ILE 73 CO 0.00 0.23 0.02 -1.20 -1.05 0.00 0.00 178.15 176.15 1b1g n SER 74 N -4.38 2.30 0.00 2.16 7.64 -1.25 -5.14 113.62 114.95 1b1g n SER 74 Ca 0.08 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1b1g n SER 74 Cb 0.08 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1b1g n SER 74 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70