#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 6.35 0.32 4.39 1.04 -1.26 -4.90 113.70 119.64 1b1g s SER 2 Ca 0.00 0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.87 1b1g s SER 2 Cb 0.00 -2.00 0.86 0.00 0.10 0.00 0.00 66.02 64.98 1b1g s SER 2 CO 0.00 -0.14 1.56 -2.65 0.98 0.00 0.00 173.24 172.99 1b1g n PRO 3 N -1.17 -0.08 -0.13 4.02 -0.02 -1.26 -0.70 135.00 135.67 1b1g n PRO 3 Ca -0.05 1.47 0.07 0.00 -2.02 0.00 0.00 63.50 62.97 1b1g n PRO 3 Cb 0.55 -2.39 0.40 0.00 -0.02 0.00 0.00 33.50 32.05 1b1g n PRO 3 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1b1g h GLU 4 N 0.00 0.62 0.12 -0.52 3.07 -2.00 0.19 114.58 116.06 1b1g h GLU 4 Ca 0.64 -0.04 -0.21 0.00 -0.50 0.00 0.00 59.36 59.26 1b1g h GLU 4 Cb 1.41 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 29.19 1b1g h GLU 4 CO -0.91 0.41 -1.00 0.93 -1.40 0.00 0.00 179.01 177.04 1b1g h GLU 5 N 0.64 0.26 -0.15 2.33 4.39 -1.30 -3.37 114.58 117.38 1b1g h GLU 5 Ca 0.28 -0.44 -0.05 0.00 0.34 0.00 0.00 59.36 59.49 1b1g h GLU 5 Cb 0.28 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1b1g h GLU 5 CO -0.09 1.21 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.77 1b1g h LEU 6 N -0.40 0.23 -0.66 1.33 3.38 -0.32 -0.30 115.31 118.57 1b1g h LEU 6 Ca -0.20 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1b1g h LEU 6 Cb 1.65 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.30 1b1g h LEU 6 CO 0.10 0.39 0.39 0.50 0.09 0.00 0.00 178.44 179.91 1b1g h LYS 7 N 0.23 0.90 -0.00 1.13 3.64 -0.83 0.93 116.57 122.56 1b1g h LYS 7 Ca 0.05 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1b1g h LYS 7 Cb 0.39 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1b1g h LYS 7 CO 0.02 0.65 0.00 0.78 -2.27 0.00 0.00 179.45 178.64 1b1g h GLY 8 N 0.90 0.01 0.42 5.01 0.00 -1.28 -0.40 103.07 107.73 1b1g h GLY 8 Ca 0.24 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.59 1b1g h GLY 8 CO -0.04 0.00 -0.27 -2.22 0.00 0.00 0.00 176.54 174.01 1b1g h ILE 9 N -0.27 0.39 -0.38 2.60 1.08 -1.00 0.91 117.51 120.83 1b1g h ILE 9 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 1b1g h ILE 9 Cb 0.28 0.39 -0.09 0.00 -3.07 0.00 0.00 36.82 34.34 1b1g h ILE 9 CO 0.00 0.00 -0.40 0.15 -0.69 0.00 0.00 178.15 177.21 1b1g h PHE 10 N -0.43 -1.14 -0.35 1.37 3.04 -0.78 -2.28 116.94 116.36 1b1g h PHE 10 Ca 0.05 0.06 0.08 0.00 3.98 0.00 0.00 57.97 62.15 1b1g h PHE 10 Cb 0.50 0.56 -0.08 0.00 2.56 0.00 0.00 35.95 39.49 1b1g h PHE 10 CO -0.29 -0.43 -0.17 1.49 -2.02 0.00 0.00 178.31 176.89 1b1g h GLU 11 N -0.32 -0.11 -0.95 1.11 4.81 -0.35 0.84 114.58 119.61 1b1g h GLU 11 Ca 0.14 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.53 1b1g h GLU 11 Cb 0.58 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.90 1b1g h GLU 11 CO -0.55 -0.07 0.60 -0.22 -0.73 0.00 0.00 179.01 178.04 1b1g h LYS 12 N -0.11 0.76 0.07 1.92 3.64 -0.27 -1.55 116.57 121.03 1b1g h LYS 12 Ca 0.18 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.31 1b1g h LYS 12 Cb 0.39 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1b1g h LYS 12 CO -0.43 0.50 -1.01 1.88 -2.27 0.00 0.00 179.45 178.12 1b1g h TYR 13 N 0.78 0.28 -0.54 1.91 -1.99 -1.14 -3.38 116.97 112.88 1b1g h TYR 13 Ca 0.49 -0.20 0.16 0.00 2.00 0.00 0.00 58.73 61.17 1b1g h TYR 13 Cb 0.71 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.41 1b1g h TYR 13 CO -0.00 1.39 0.52 0.00 -0.00 0.00 0.00 178.16 180.07 1b1g h ALA 14 N -0.11 2.32 0.00 3.88 0.00 -0.08 -0.29 119.26 124.99 1b1g h ALA 14 Ca -0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1b1g h ALA 14 Cb 1.50 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1b1g h ALA 14 CO 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 179.25 178.45 1b1g h ALA 15 N 1.47 1.00 0.32 0.00 0.00 -1.30 -3.34 119.26 117.40 1b1g h ALA 15 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1b1g h ALA 15 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1b1g h ALA 15 CO -0.00 0.00 -0.15 -0.22 0.00 0.00 0.00 179.25 178.88 1b1g h LYS 16 N 0.00 -0.41 -5.11 0.00 1.63 -1.27 -3.45 116.57 107.96 1b1g h LYS 16 Ca 0.00 0.03 -0.64 0.00 -0.85 0.00 0.00 60.65 59.18 1b1g h LYS 16 Cb 0.46 0.09 -0.23 0.00 -0.60 0.00 0.00 32.23 31.96 1b1g h LYS 16 CO 0.00 -0.27 -0.65 -1.83 -3.45 0.00 0.00 179.45 173.24 1b1g s GLU 17 N -3.69 3.64 1.11 1.90 4.04 -1.26 -4.96 118.70 119.48 1b1g s GLU 17 Ca -0.06 -0.51 0.00 0.00 0.04 0.00 0.00 54.97 54.44 1b1g s GLU 17 Cb 0.01 -3.11 0.00 0.00 0.02 0.00 0.00 34.13 31.04 1b1g s GLU 17 CO 0.19 -0.00 0.00 0.41 -1.84 0.00 0.00 175.26 174.02 1b1g n GLY 18 N 4.29 0.52 3.74 -3.83 0.00 -1.26 -4.55 105.19 104.10 1b1g n GLY 18 Ca -0.17 0.71 -0.37 0.00 0.00 0.00 0.00 46.02 46.19 1b1g n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1b1g s ASP 19 N -4.00 4.82 0.16 1.61 -1.08 -1.26 -4.96 116.67 111.96 1b1g s ASP 19 Ca 0.00 2.65 0.24 0.00 -0.52 0.00 0.00 52.55 54.92 1b1g s ASP 19 Cb 0.00 -2.62 0.35 0.00 -1.46 0.00 0.00 42.92 39.19 1b1g s ASP 19 CO 0.00 -1.86 1.35 1.55 0.52 0.00 0.00 175.17 176.73 1b1g h PRO 20 N 0.82 0.00 0.00 4.34 0.13 -1.80 -3.41 132.00 132.08 1b1g h PRO 20 Ca -0.51 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.50 1b1g h PRO 20 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1b1g h PRO 20 CO 0.54 0.00 -1.64 -1.71 -0.23 0.00 0.00 178.00 174.96 1b1g n ASN 21 N -2.28 2.44 -4.80 1.44 5.15 -1.25 -3.31 115.26 112.64 1b1g n ASN 21 Ca 0.03 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.68 1b1g n ASN 21 Cb 0.46 1.03 -0.07 0.00 -0.53 0.00 0.00 39.78 40.67 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 -2.44 3.12 -0.30 1.20 -0.21 -1.26 -4.57 119.66 115.20 1b1g s GLN 22 Ca -0.05 -0.48 -0.22 0.00 0.02 0.00 0.00 55.36 54.64 1b1g s GLN 22 Cb 0.05 -2.89 -0.01 0.00 1.00 0.00 0.00 33.01 31.16 1b1g s GLN 22 CO 0.44 0.64 0.70 -0.51 -2.12 0.00 0.00 175.29 174.44 1b1g s LEU 23 N -1.85 4.12 0.48 2.90 1.43 0.10 -4.58 118.68 121.28 1b1g s LEU 23 Ca 0.24 0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 53.83 1b1g s LEU 23 Cb -0.12 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 1b1g s LEU 23 CO 0.16 -0.53 0.78 -0.94 0.23 0.00 0.00 176.35 176.05 1b1g s SER 24 N 1.62 6.27 0.15 2.29 1.04 -1.26 -1.06 113.70 122.75 1b1g s SER 24 Ca 0.28 0.92 -0.27 0.00 0.48 0.00 0.00 55.95 57.37 1b1g s SER 24 Cb -0.15 -2.24 -0.00 0.00 0.10 0.00 0.00 66.02 63.72 1b1g s SER 24 CO 0.12 -0.57 1.59 0.50 0.98 0.00 0.00 173.24 175.85 1b1g h LYS 25 N 0.25 -0.35 0.00 4.02 3.64 -1.98 0.18 116.57 122.33 1b1g h LYS 25 Ca -0.47 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1b1g h LYS 25 Cb 1.20 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1b1g h LYS 25 CO 0.62 -0.23 0.00 -1.91 -2.27 0.00 0.00 179.45 175.65 1b1g n GLU 26 N -5.42 0.13 0.09 1.90 2.13 -1.26 -2.81 120.64 115.40 1b1g n GLU 26 Ca -0.01 0.27 -0.22 0.00 0.66 0.00 0.00 57.16 57.86 1b1g n GLU 26 Cb 0.35 -1.71 -0.14 0.00 0.27 0.00 0.00 31.44 30.21 1b1g n GLU 26 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1b1g h GLU 27 N 0.00 0.52 -0.95 5.31 4.57 -1.12 -3.32 114.58 119.59 1b1g h GLU 27 Ca 0.00 -0.76 0.27 0.00 -1.18 0.00 0.00 59.36 57.69 1b1g h GLU 27 Cb 0.44 0.26 -0.14 0.00 -0.16 0.00 0.00 28.75 29.15 1b1g h GLU 27 CO 0.00 1.35 0.45 1.25 -1.18 0.00 0.00 179.01 180.87 1b1g h LEU 28 N 0.08 0.36 -0.30 1.64 5.85 -0.81 -1.00 115.31 121.13 1b1g h LEU 28 Ca -0.19 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1b1g h LEU 28 Cb 1.87 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 43.02 1b1g h LEU 28 CO 0.22 -0.08 -0.25 0.50 -0.34 0.00 0.00 178.44 178.49 1b1g h LYS 29 N 0.34 -0.09 -0.77 1.25 3.64 -1.66 -0.23 116.57 119.05 1b1g h LYS 29 Ca 0.64 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 60.09 1b1g h LYS 29 Cb 1.35 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.14 1b1g h LYS 29 CO -0.59 -0.06 0.51 -0.07 -2.27 0.00 0.00 179.45 176.97 1b1g h LEU 30 N -0.09 0.74 0.06 5.20 3.38 -1.37 0.80 115.31 124.03 1b1g h LEU 30 Ca 0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1b1g h LEU 30 Cb 0.22 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1b1g h LEU 30 CO -0.33 0.48 -0.45 0.25 0.09 0.00 0.00 178.44 178.48 1b1g h LEU 31 N 0.84 -1.38 0.10 1.67 6.46 -1.10 -0.88 115.31 121.01 1b1g h LEU 31 Ca 0.33 0.15 0.02 0.00 -0.12 0.00 0.00 57.88 58.26 1b1g h LEU 31 Cb 0.22 0.52 -0.05 0.00 -0.73 0.00 0.00 40.66 40.62 1b1g h LEU 31 CO -0.11 -0.46 -0.40 -0.07 -0.62 0.00 0.00 178.44 176.77 1b1g h LEU 32 N -0.61 -1.19 -0.59 2.25 3.38 0.19 -1.23 115.31 117.51 1b1g h LEU 32 Ca 0.00 0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.21 1b1g h LEU 32 Cb 0.63 0.45 -0.11 0.00 0.09 0.00 0.00 40.66 41.72 1b1g h LEU 32 CO -0.27 -0.47 -0.31 1.56 0.09 0.00 0.00 178.44 179.03 1b1g h GLN 33 N -0.62 -0.14 -0.02 1.13 1.08 -0.80 -0.32 115.11 115.41 1b1g h GLN 33 Ca 0.03 0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.16 1b1g h GLN 33 Cb 0.66 0.03 0.01 0.00 -0.05 0.00 0.00 27.48 28.13 1b1g h GLN 33 CO -0.25 -0.10 -0.30 1.15 -0.95 0.00 0.00 178.83 178.38 1b1g h THR 34 N -0.15 1.49 0.00 -0.54 2.02 -0.90 -3.42 112.91 111.41 1b1g h THR 34 Ca 0.24 -1.86 -0.27 0.00 0.77 0.00 0.00 66.41 65.29 1b1g h THR 34 Cb 0.54 2.58 -0.05 0.00 -1.74 0.00 0.00 68.15 69.48 1b1g h THR 34 CO -0.67 0.52 -2.01 -0.62 0.37 0.00 0.00 175.52 173.10 1b1g n GLU 35 N -4.46 1.54 -2.95 6.66 -0.58 -0.49 -4.83 120.64 115.53 1b1g n GLU 35 Ca -0.09 -0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.40 1b1g n GLU 35 Cb 0.51 -1.38 -0.03 0.00 -0.57 0.00 0.00 31.44 29.97 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 -2.57 3.01 -0.35 -0.32 3.72 -0.15 -4.97 117.46 115.82 1b1g n PHE 36 Ca -0.24 -3.85 0.12 0.00 -0.05 0.00 0.00 57.45 53.42 1b1g n PHE 36 Cb 0.97 -0.44 0.30 0.00 -0.94 0.00 0.00 39.48 39.38 1b1g n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1b1g h PRO 37 N 2.95 0.77 0.00 -1.08 0.13 -1.84 -2.52 132.00 130.41 1b1g h PRO 37 Ca 0.13 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 1b1g h PRO 37 Cb 0.67 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 1b1g h PRO 37 CO 0.74 0.51 -0.21 0.66 -0.23 0.00 0.00 178.00 179.47 1b1g h SER 38 N 0.79 0.00 0.03 1.44 4.64 -1.94 -3.39 113.55 115.13 1b1g h SER 38 Ca 0.56 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1b1g h SER 38 Cb 0.83 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1b1g h SER 38 CO -0.37 0.73 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.24 1b1g h LEU 39 N -1.00 0.00 -0.31 5.97 3.38 -1.98 -0.67 115.31 120.71 1b1g h LEU 39 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1b1g h LEU 39 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1b1g h LEU 39 CO -0.02 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.52 1b1g n LEU 40 N -3.55 0.69 0.00 1.67 -0.00 -0.95 -4.31 117.00 110.55 1b1g n LEU 40 Ca -0.03 0.61 0.00 0.00 -0.00 0.00 0.00 56.01 56.59 1b1g n LEU 40 Cb 0.09 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.06 1b1g n LEU 40 CO 0.25 -0.34 0.08 0.29 -0.00 0.00 0.00 177.39 177.67 1b1g n LYS 41 N -2.20 0.00 0.00 1.47 4.76 -0.26 -4.77 118.16 117.16 1b1g n LYS 41 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1b1g n LYS 41 Cb 0.33 -0.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.93 1b1g n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b1g n GLY 42 N 1.41 1.46 0.00 0.72 0.00 -1.26 -4.34 105.19 103.17 1b1g n GLY 42 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 0.60 3.55 -0.02 0.00 -1.26 -5.14 105.19 102.92 1b1g n GLY 43 Ca 0.00 0.07 -0.50 0.00 0.00 0.00 0.00 46.02 45.59 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 0.90 -4.70 1.61 7.64 -1.26 -5.01 113.62 112.79 1b1g n SER 44 Ca 0.00 1.14 -0.29 0.00 1.01 0.00 0.00 58.87 60.73 1b1g n SER 44 Cb 0.00 -1.15 0.15 0.00 -1.01 0.00 0.00 64.21 62.20 1b1g n SER 44 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1b1g s THR 45 N -0.27 2.41 0.36 0.44 -4.23 -1.26 -4.81 115.64 108.28 1b1g s THR 45 Ca 0.74 0.13 0.10 0.00 -1.18 0.00 0.00 61.69 61.48 1b1g s THR 45 Cb -0.91 -2.63 0.33 0.00 1.34 0.00 0.00 72.50 70.62 1b1g s THR 45 CO 0.53 -0.17 1.86 0.25 -0.54 0.00 0.00 174.62 176.56 1b1g h LEU 46 N -1.68 0.63 0.36 4.79 5.85 -1.97 0.20 115.31 123.49 1b1g h LEU 46 Ca -0.52 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 1b1g h LEU 46 Cb 1.30 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1b1g h LEU 46 CO 0.56 0.31 -0.17 0.44 -0.34 0.00 0.00 178.44 179.24 1b1g h ASP 47 N 0.66 -0.41 -0.97 1.25 5.19 -1.95 0.57 116.42 120.76 1b1g h ASP 47 Ca 0.45 -0.08 0.16 0.00 -0.62 0.00 0.00 57.03 56.94 1b1g h ASP 47 Cb 0.77 0.11 -0.10 0.00 0.18 0.00 0.00 39.33 40.29 1b1g h ASP 47 CO -0.21 0.04 0.58 -0.33 -3.12 0.00 0.00 179.24 176.20 1b1g h GLU 48 N -1.06 0.79 0.60 3.56 5.08 -1.88 0.74 114.58 122.41 1b1g h GLU 48 Ca -0.05 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1b1g h GLU 48 Cb 0.47 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.55 1b1g h GLU 48 CO 0.08 0.52 -0.29 1.25 -1.00 0.00 0.00 179.01 179.57 1b1g h LEU 49 N 0.81 -0.68 -0.98 1.33 5.85 -0.50 0.29 115.31 121.42 1b1g h LEU 49 Ca 0.52 0.02 0.34 0.00 0.84 0.00 0.00 57.88 59.61 1b1g h LEU 49 Cb 0.70 0.18 -0.16 0.00 0.37 0.00 0.00 40.66 41.74 1b1g h LEU 49 CO -0.34 -0.41 0.45 0.15 -0.34 0.00 0.00 178.44 177.96 1b1g h PHE 50 N -0.97 0.70 0.00 1.25 3.57 -0.76 0.15 116.94 120.88 1b1g h PHE 50 Ca -0.08 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.32 1b1g h PHE 50 Cb 0.62 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1b1g h PHE 50 CO 0.04 -0.33 -0.70 0.93 -2.23 0.00 0.00 178.31 176.03 1b1g h GLU 51 N 0.15 0.00 -0.45 1.11 5.08 -0.35 0.33 114.58 120.45 1b1g h GLU 51 Ca 0.74 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 59.06 1b1g h GLU 51 Cb 1.77 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.01 1b1g h GLU 51 CO -0.71 0.70 0.14 1.49 -1.00 0.00 0.00 179.01 179.62 1b1g h GLU 52 N 0.00 0.70 0.62 2.33 4.81 0.15 -3.37 114.58 119.82 1b1g h GLU 52 Ca -0.01 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1b1g h GLU 52 Cb 1.26 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.55 1b1g h GLU 52 CO 0.09 0.67 -0.30 -0.07 -0.73 0.00 0.00 179.01 178.68 1b1g h LEU 53 N 0.58 -0.70 -9.23 1.64 3.38 -0.41 -3.43 115.31 107.14 1b1g h LEU 53 Ca 0.14 0.02 -0.57 0.00 0.09 0.00 0.00 57.88 57.57 1b1g h LEU 53 Cb 0.27 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 1b1g h LEU 53 CO -0.00 -0.40 0.25 -0.62 0.09 0.00 0.00 178.44 177.76 1b1g s ASP 54 N -4.01 6.94 0.00 -0.43 -1.08 0.11 -4.69 116.67 113.52 1b1g s ASP 54 Ca -0.12 1.15 0.11 0.00 -0.52 0.00 0.00 52.55 53.17 1b1g s ASP 54 Cb 0.01 -2.43 0.67 0.00 -1.46 0.00 0.00 42.92 39.71 1b1g s ASP 54 CO 0.36 -0.28 1.11 1.17 0.52 0.00 0.00 175.17 178.05 1b1g n LYS 55 N 4.66 0.35 0.02 4.34 3.00 -1.26 -4.31 118.16 124.96 1b1g n LYS 55 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1b1g n LYS 55 Cb 0.50 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.03 1b1g n LYS 55 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1b1g n ASN 56 N -1.00 -0.30 -0.41 3.14 5.15 -1.26 -5.11 115.26 115.48 1b1g n ASN 56 Ca 0.08 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 1b1g n ASN 56 Cb 0.04 0.58 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 1b1g n ASN 56 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1b1g n GLY 57 N -0.47 0.45 0.00 8.20 0.00 -1.26 -5.05 105.19 107.05 1b1g n GLY 57 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.22 0.00 0.00 1.61 5.75 -1.26 -4.97 116.55 117.46 1b1g n ASP 58 Ca 0.00 -0.84 0.00 0.00 -0.01 0.00 0.00 54.79 53.94 1b1g n ASP 58 Cb 0.09 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 1.93 0.00 6.12 0.00 -1.26 -5.17 105.19 106.81 1b1g n GLY 59 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1b1g n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b1g n GLU 60 N 0.00 0.77 -1.90 1.61 4.71 -1.26 -4.93 120.64 119.64 1b1g n GLU 60 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.82 1b1g n GLU 60 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 31.44 30.46 1b1g n GLU 60 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1b1g s VAL 61 N -0.14 3.60 0.24 2.62 1.01 -0.22 -4.77 120.40 122.74 1b1g s VAL 61 Ca 0.00 0.73 0.01 0.00 0.00 0.00 0.00 61.98 62.72 1b1g s VAL 61 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1b1g s VAL 61 CO 0.00 -0.47 0.13 -0.94 0.00 0.00 0.00 175.10 173.82 1b1g s SER 62 N -2.78 0.81 0.37 3.32 1.04 -1.26 0.01 113.70 115.21 1b1g s SER 62 Ca 0.64 -1.43 0.18 0.00 0.48 0.00 0.00 55.95 55.82 1b1g s SER 62 Cb -0.18 0.31 1.12 0.00 0.10 0.00 0.00 66.02 67.37 1b1g s SER 62 CO 0.40 -0.81 1.70 0.15 0.98 0.00 0.00 173.24 175.65 1b1g h PHE 63 N 2.45 0.80 -0.49 5.02 3.57 -1.96 0.13 116.94 126.46 1b1g h PHE 63 Ca -0.36 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.27 1b1g h PHE 63 Cb 1.25 -0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.69 1b1g h PHE 63 CO 0.54 -0.07 -0.02 1.49 -2.23 0.00 0.00 178.31 178.02 1b1g h GLU 64 N 0.34 0.10 0.09 1.11 4.81 -1.96 -1.88 114.58 117.19 1b1g h GLU 64 Ca 0.70 -0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 59.65 1b1g h GLU 64 Cb 1.71 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.06 1b1g h GLU 64 CO -0.46 0.06 -1.33 0.93 -0.73 0.00 0.00 179.01 177.48 1b1g h GLU 65 N 0.10 0.19 -0.40 1.92 5.08 -1.27 -3.22 114.58 116.98 1b1g h GLU 65 Ca 0.25 -0.32 0.12 0.00 -1.00 0.00 0.00 59.36 58.40 1b1g h GLU 65 Cb 0.37 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1b1g h GLU 65 CO -0.42 1.08 0.52 0.35 -1.00 0.00 0.00 179.01 179.55 1b1g h PHE 66 N 0.05 0.00 0.00 4.33 3.04 -0.25 0.81 116.94 124.92 1b1g h PHE 66 Ca -0.16 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.79 1b1g h PHE 66 Cb 1.95 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.46 1b1g h PHE 66 CO 0.05 0.00 0.06 1.96 -2.02 0.00 0.00 178.31 178.36 1b1g h GLN 67 N 0.00 0.00 -0.56 1.11 1.08 -1.37 0.49 115.11 115.86 1b1g h GLN 67 Ca 0.19 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1b1g h GLN 67 Cb 1.23 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.63 1b1g h GLN 67 CO -0.00 0.00 0.34 0.28 -0.95 0.00 0.00 178.83 178.50 1b1g h VAL 68 N 0.00 1.16 -0.30 -0.54 2.07 -1.08 0.71 116.25 118.27 1b1g h VAL 68 Ca 0.00 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1b1g h VAL 68 Cb 0.12 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1b1g h VAL 68 CO 0.00 0.17 0.13 0.25 0.02 0.00 0.00 177.57 178.14 1b1g h LEU 69 N 0.75 0.40 -1.74 2.57 7.12 -0.24 0.11 115.31 124.29 1b1g h LEU 69 Ca 0.20 -0.15 0.07 0.00 0.13 0.00 0.00 57.88 58.13 1b1g h LEU 69 Cb -0.02 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 39.98 1b1g h LEU 69 CO -0.04 0.44 0.31 0.58 -0.13 0.00 0.00 178.44 179.60 1b1g h VAL 70 N 0.34 0.93 0.41 1.05 2.07 -1.03 0.15 116.25 120.17 1b1g h VAL 70 Ca 0.10 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1b1g h VAL 70 Cb 0.15 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1b1g h VAL 70 CO -0.01 0.06 -0.20 0.50 0.02 0.00 0.00 177.57 177.94 1b1g h LYS 71 N 0.32 -0.53 0.00 1.57 3.64 -0.23 -3.37 116.57 117.96 1b1g h LYS 71 Ca 0.20 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1b1g h LYS 71 Cb 0.39 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1b1g h LYS 71 CO -0.04 -0.23 0.00 1.17 -2.27 0.00 0.00 179.45 178.08 1b1g n LYS 72 N -5.21 0.09 -0.34 1.90 4.81 0.34 -0.09 118.16 119.66 1b1g n LYS 72 Ca -0.10 0.30 -0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1b1g n LYS 72 Cb 0.29 -1.66 0.15 0.00 0.02 0.00 0.00 35.03 33.83 1b1g n LYS 72 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1b1g h ILE 73 N 0.00 1.21 0.06 3.15 3.07 -0.97 -3.20 117.51 120.82 1b1g h ILE 73 Ca 0.00 -0.43 -0.15 0.00 1.55 0.00 0.00 64.86 65.83 1b1g h ILE 73 Cb 0.33 -0.16 -0.00 0.00 -0.27 0.00 0.00 36.82 36.72 1b1g h ILE 73 CO 0.00 0.23 -0.75 0.28 -1.05 0.00 0.00 178.15 176.86 1b1g h SER 74 N 1.26 0.18 0.00 2.16 0.02 -0.68 -3.53 113.55 112.96 1b1g h SER 74 Ca 0.36 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1b1g h SER 74 Cb -0.08 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1b1g h SER 74 CO -0.09 1.32 0.00 1.67 -1.14 0.00 0.00 176.83 178.59