#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 6.29 0.25 4.39 0.01 -1.26 -4.93 113.70 118.45 1b1g s SER 2 Ca 0.00 0.73 -0.05 0.00 1.31 0.00 0.00 55.95 57.93 1b1g s SER 2 Cb 0.00 -2.16 0.46 0.00 0.21 0.00 0.00 66.02 64.53 1b1g s SER 2 CO 0.00 -0.44 1.66 -0.65 0.41 0.00 0.00 173.24 174.22 1b1g h PRO 3 N 0.54 0.19 -0.59 12.44 0.11 -2.05 -1.17 132.00 141.47 1b1g h PRO 3 Ca -0.48 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1b1g h PRO 3 Cb 1.21 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1b1g h PRO 3 CO 0.62 0.12 0.39 0.93 -0.21 0.00 0.00 178.00 179.85 1b1g h GLU 4 N 0.19 0.77 -0.40 1.05 5.08 -1.97 0.37 114.58 119.67 1b1g h GLU 4 Ca 0.42 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.59 1b1g h GLU 4 Cb 0.74 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1b1g h GLU 4 CO -0.57 0.51 -0.30 0.93 -1.00 0.00 0.00 179.01 178.58 1b1g h GLU 5 N 0.80 0.92 -0.68 2.33 4.39 -1.64 0.21 114.58 120.91 1b1g h GLU 5 Ca 0.22 -0.45 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1b1g h GLU 5 Cb -0.09 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 1b1g h GLU 5 CO -0.05 1.10 0.39 -0.07 -1.16 0.00 0.00 179.01 179.22 1b1g h LEU 6 N 0.74 0.82 -1.01 1.33 3.38 -0.86 0.19 115.31 119.90 1b1g h LEU 6 Ca 0.08 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1b1g h LEU 6 Cb 0.88 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1b1g h LEU 6 CO 0.08 0.65 0.05 0.50 0.09 0.00 0.00 178.44 179.80 1b1g h LYS 7 N 0.94 0.76 0.03 1.13 3.64 0.43 0.14 116.57 123.63 1b1g h LYS 7 Ca 0.24 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1b1g h LYS 7 Cb -0.01 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1b1g h LYS 7 CO -0.04 0.74 -0.01 0.78 -2.27 0.00 0.00 179.45 178.64 1b1g h GLY 8 N 0.95 -0.04 0.50 5.01 0.00 0.33 0.20 103.07 110.02 1b1g h GLY 8 Ca 0.15 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.52 1b1g h GLY 8 CO 0.01 -0.01 -0.26 -2.22 0.00 0.00 0.00 176.54 174.06 1b1g h ILE 9 N -0.43 0.42 -0.46 2.60 1.08 -0.48 0.29 117.51 120.53 1b1g h ILE 9 Ca -0.00 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.56 1b1g h ILE 9 Cb 0.41 0.42 -0.10 0.00 -3.07 0.00 0.00 36.82 34.48 1b1g h ILE 9 CO 0.01 0.00 -0.24 0.15 -0.69 0.00 0.00 178.15 177.37 1b1g h PHE 10 N -0.45 -0.63 -0.81 1.37 3.04 -0.78 0.10 116.94 118.78 1b1g h PHE 10 Ca 0.04 0.05 0.11 0.00 3.98 0.00 0.00 57.97 62.16 1b1g h PHE 10 Cb 0.49 0.35 -0.06 0.00 2.56 0.00 0.00 35.95 39.29 1b1g h PHE 10 CO -0.26 -0.32 0.53 1.49 -2.02 0.00 0.00 178.31 177.73 1b1g h GLU 11 N -0.15 0.66 0.05 1.11 4.81 0.17 0.17 114.58 121.41 1b1g h GLU 11 Ca 0.21 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1b1g h GLU 11 Cb 0.48 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1b1g h GLU 11 CO -0.55 0.44 -0.03 -0.22 -0.73 0.00 0.00 179.01 177.92 1b1g h LYS 12 N 0.68 -0.07 -0.33 1.92 3.64 0.11 -3.23 116.57 119.29 1b1g h LYS 12 Ca 0.38 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.64 1b1g h LYS 12 Cb 0.55 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1b1g h LYS 12 CO -0.15 0.53 -0.30 1.88 -2.27 0.00 0.00 179.45 179.13 1b1g h TYR 13 N -0.77 0.94 -0.97 1.91 -1.99 -0.68 -3.09 116.97 112.33 1b1g h TYR 13 Ca -0.01 -0.28 0.25 0.00 2.00 0.00 0.00 58.73 60.70 1b1g h TYR 13 Cb 0.63 -0.20 -0.06 0.00 2.00 0.00 0.00 36.73 39.10 1b1g h TYR 13 CO 0.14 1.05 0.66 0.00 -0.00 0.00 0.00 178.16 180.01 1b1g h ALA 14 N 0.74 2.50 -0.30 3.88 0.00 -0.78 -0.28 119.26 125.02 1b1g h ALA 14 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1b1g h ALA 14 Cb 0.88 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1b1g h ALA 14 CO 0.08 -0.81 0.00 0.00 0.00 0.00 0.00 179.25 178.51 1b1g n ALA 15 N -2.59 2.46 0.01 0.00 0.00 -1.17 -4.21 120.51 115.02 1b1g n ALA 15 Ca 0.21 -0.56 -0.04 0.00 0.00 0.00 0.00 53.44 53.05 1b1g n ALA 15 Cb 0.88 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 1b1g n ALA 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1b1g h LYS 16 N 1.95 -0.17 0.00 0.00 1.63 -1.11 -3.48 116.57 115.39 1b1g h LYS 16 Ca 0.00 0.01 -0.18 0.00 -0.85 0.00 0.00 60.65 59.63 1b1g h LYS 16 Cb 0.44 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.07 1b1g h LYS 16 CO 0.00 -0.11 -0.14 0.39 -3.45 0.00 0.00 179.45 176.14 1b1g n GLU 17 N -3.31 0.29 -0.18 1.90 4.71 -1.26 -5.11 120.64 117.68 1b1g n GLU 17 Ca -0.02 -1.48 0.00 0.00 -0.01 0.00 0.00 57.16 55.65 1b1g n GLU 17 Cb 0.11 1.33 0.00 0.00 -1.01 0.00 0.00 31.44 31.87 1b1g n GLU 17 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1b1g n GLY 18 N -0.30 0.00 2.21 0.62 0.00 -1.26 -4.28 105.19 102.18 1b1g n GLY 18 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 1.28 -1.59 -0.09 1.61 -0.08 -1.26 -4.78 116.55 111.64 1b1g n ASP 19 Ca 0.00 0.98 0.14 0.00 -1.51 0.00 0.00 54.79 54.40 1b1g n ASP 19 Cb 0.00 -3.95 0.67 0.00 2.34 0.00 0.00 41.12 40.19 1b1g n ASP 19 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1b1g n PRO 20 N 1.19 0.69 -0.07 -0.67 -0.04 -1.26 -3.21 135.00 131.63 1b1g n PRO 20 Ca -0.26 -0.18 -0.11 0.00 -0.04 0.00 0.00 63.50 62.90 1b1g n PRO 20 Cb 0.40 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.28 1b1g n PRO 20 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1b1g h ASN 21 N 0.45 0.00 -4.06 3.54 -1.24 -1.91 -3.36 115.58 109.00 1b1g h ASN 21 Ca 0.00 -0.67 -0.46 0.00 0.71 0.00 0.00 56.30 55.88 1b1g h ASN 21 Cb 0.31 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 1b1g h ASN 21 CO 0.00 0.92 0.32 -1.10 -1.29 0.00 0.00 177.43 176.28 1b1g s GLN 22 N -2.08 4.08 -0.43 6.67 -0.21 -1.20 -4.68 119.66 121.82 1b1g s GLN 22 Ca -0.15 0.98 -0.26 0.00 0.02 0.00 0.00 55.36 55.95 1b1g s GLN 22 Cb -0.01 -2.20 0.02 0.00 1.00 0.00 0.00 33.01 31.82 1b1g s GLN 22 CO 0.49 -0.10 0.94 -0.51 -2.12 0.00 0.00 175.29 174.00 1b1g s LEU 23 N -3.52 3.97 0.78 2.90 1.43 0.68 -4.49 118.68 120.43 1b1g s LEU 23 Ca 0.59 0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.90 1b1g s LEU 23 Cb -0.10 -3.25 0.06 0.00 0.03 0.00 0.00 46.19 42.93 1b1g s LEU 23 CO 0.21 -0.99 1.08 -0.94 0.23 0.00 0.00 176.35 175.94 1b1g s SER 24 N 2.13 4.62 0.16 2.29 1.04 -1.26 -1.00 113.70 121.69 1b1g s SER 24 Ca 0.38 1.50 -0.22 0.00 0.48 0.00 0.00 55.95 58.09 1b1g s SER 24 Cb -0.11 -2.26 0.05 0.00 0.10 0.00 0.00 66.02 63.80 1b1g s SER 24 CO 0.24 -1.91 1.62 0.50 0.98 0.00 0.00 173.24 174.67 1b1g h LYS 25 N -1.04 -0.24 -0.51 4.02 3.64 -1.98 0.20 116.57 120.67 1b1g h LYS 25 Ca -0.46 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.04 1b1g h LYS 25 Cb 1.25 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 33.02 1b1g h LYS 25 CO 0.57 -0.16 -0.13 1.49 -2.27 0.00 0.00 179.45 178.95 1b1g h GLU 26 N -0.25 -0.01 0.00 1.90 4.81 -2.00 -2.64 114.58 116.39 1b1g h GLU 26 Ca 0.15 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1b1g h GLU 26 Cb 0.49 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1b1g h GLU 26 CO -0.45 -0.01 -0.24 1.49 -0.73 0.00 0.00 179.01 179.08 1b1g h GLU 27 N -0.01 0.00 -0.25 1.92 4.81 -1.26 -1.15 114.58 118.65 1b1g h GLU 27 Ca 0.24 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1b1g h GLU 27 Cb 0.38 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1b1g h GLU 27 CO -0.53 0.24 0.12 1.25 -0.73 0.00 0.00 179.01 179.36 1b1g h LEU 28 N 0.00 0.17 -0.46 1.64 5.85 -0.34 -3.23 115.31 118.95 1b1g h LEU 28 Ca -0.00 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1b1g h LEU 28 Cb 0.47 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 1b1g h LEU 28 CO 0.03 0.13 -0.45 0.50 -0.34 0.00 0.00 178.44 178.31 1b1g h LYS 29 N 0.25 -0.22 -0.74 1.25 3.64 -1.15 0.75 116.57 120.35 1b1g h LYS 29 Ca 0.10 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.66 1b1g h LYS 29 Cb 0.03 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 31.79 1b1g h LYS 29 CO -0.07 -0.15 0.12 1.37 -2.27 0.00 0.00 179.45 178.45 1b1g h LEU 30 N -0.23 -0.11 -0.07 5.20 -0.00 -1.65 0.10 115.31 118.55 1b1g h LEU 30 Ca 0.08 0.16 0.04 0.00 -0.00 0.00 0.00 57.88 58.16 1b1g h LEU 30 Cb 0.43 0.25 -0.06 0.00 -0.00 0.00 0.00 40.66 41.29 1b1g h LEU 30 CO -0.56 -0.09 -0.29 0.25 -0.00 0.00 0.00 178.44 177.75 1b1g h LEU 31 N 0.20 -0.88 -0.27 0.17 6.46 -0.95 -0.06 115.31 119.99 1b1g h LEU 31 Ca 0.42 0.13 0.06 0.00 -0.12 0.00 0.00 57.88 58.36 1b1g h LEU 31 Cb 0.73 0.37 -0.06 0.00 -0.73 0.00 0.00 40.66 40.97 1b1g h LEU 31 CO -0.56 -0.34 -0.12 -0.07 -0.62 0.00 0.00 178.44 176.73 1b1g h LEU 32 N -0.39 -0.40 -0.25 2.25 3.38 0.44 0.65 115.31 120.98 1b1g h LEU 32 Ca 0.08 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1b1g h LEU 32 Cb 0.52 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1b1g h LEU 32 CO -0.30 -0.15 -0.05 1.56 0.09 0.00 0.00 178.44 179.59 1b1g h GLN 33 N -0.08 0.48 0.28 1.13 4.20 -0.64 -2.79 115.11 117.69 1b1g h GLN 33 Ca 0.14 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1b1g h GLN 33 Cb 0.29 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1b1g h GLN 33 CO -0.32 0.69 -0.14 1.15 -0.67 0.00 0.00 178.83 179.55 1b1g h THR 34 N 0.22 0.00 0.16 -0.54 2.02 -0.93 -3.41 112.91 110.43 1b1g h THR 34 Ca 0.06 -0.63 -0.36 0.00 0.77 0.00 0.00 66.41 66.26 1b1g h THR 34 Cb 0.51 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1b1g h THR 34 CO 0.02 0.00 -1.86 -0.33 0.37 0.00 0.00 175.52 173.73 1b1g h GLU 35 N -1.01 0.34 -0.21 6.66 4.39 -0.96 -3.41 114.58 120.39 1b1g h GLU 35 Ca -0.04 -0.59 0.00 0.00 0.34 0.00 0.00 59.36 59.08 1b1g h GLU 35 Cb 0.29 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1b1g h GLU 35 CO 0.06 1.28 0.00 1.19 -1.16 0.00 0.00 179.01 180.38 1b1g n PHE 36 N -3.55 0.67 0.31 4.33 3.72 -1.06 -4.79 117.46 117.09 1b1g n PHE 36 Ca -0.28 -0.86 0.20 0.00 -0.05 0.00 0.00 57.45 56.47 1b1g n PHE 36 Cb 1.07 -0.24 0.96 0.00 -0.94 0.00 0.00 39.48 40.32 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 1.39 0.00 0.32 -1.08 0.13 -1.78 0.17 132.00 131.15 1b1g h PRO 37 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1b1g h PRO 37 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1b1g h PRO 37 CO 0.15 0.00 -0.15 0.66 -0.23 0.00 0.00 178.00 178.42 1b1g h SER 38 N 0.00 -0.36 -0.80 1.44 4.64 -1.92 -3.29 113.55 113.26 1b1g h SER 38 Ca 0.00 -0.16 0.05 0.00 -0.47 0.00 0.00 61.79 61.21 1b1g h SER 38 Cb 0.24 0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.37 1b1g h SER 38 CO 0.00 0.09 0.52 -0.07 -0.87 0.00 0.00 176.83 176.50 1b1g h LEU 39 N -0.96 0.80 -5.48 5.97 3.38 -1.81 -3.19 115.31 114.02 1b1g h LEU 39 Ca -0.04 -0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.23 1b1g h LEU 39 Cb 0.51 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1b1g h LEU 39 CO 0.07 0.53 3.48 0.18 0.09 0.00 0.00 178.44 182.79 1b1g n LEU 40 N -4.47 7.90 0.04 1.67 4.77 -0.00 -4.53 117.00 122.37 1b1g n LEU 40 Ca 0.11 -4.29 -0.12 0.00 -0.03 0.00 0.00 56.01 51.68 1b1g n LEU 40 Cb 0.17 -1.60 -0.07 0.00 -2.33 0.00 0.00 43.42 39.59 1b1g n LEU 40 CO 0.34 1.65 0.83 0.11 -1.33 0.00 0.00 177.39 178.98 1b1g h LYS 41 N 5.44 -0.02 -3.01 3.23 1.79 -1.73 -3.46 116.57 118.79 1b1g h LYS 41 Ca 0.73 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 59.23 1b1g h LYS 41 Cb 0.44 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.01 1b1g h LYS 41 CO 1.82 0.06 0.21 0.20 -1.08 0.00 0.00 179.45 180.67 1b1g s GLY 42 N -2.34 -0.35 0.09 3.86 0.00 -1.26 -5.10 107.32 102.23 1b1g s GLY 42 Ca -0.14 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.66 1b1g s GLY 42 CO 0.66 0.02 0.00 0.61 0.00 0.00 0.00 173.10 174.40 1b1g n GLY 43 N -0.42 -1.65 2.02 0.20 0.00 -1.26 -5.09 105.19 98.99 1b1g n GLY 43 Ca -0.10 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.81 -0.37 -4.74 1.61 7.64 -1.26 -4.62 113.62 109.06 1b1g n SER 44 Ca 0.00 0.14 -0.35 0.00 1.01 0.00 0.00 58.87 59.66 1b1g n SER 44 Cb 0.00 0.52 0.06 0.00 -1.01 0.00 0.00 64.21 63.77 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 -2.00 2.49 0.24 0.44 -4.23 -1.26 -4.66 115.64 106.65 1b1g s THR 45 Ca 0.00 0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.74 1b1g s THR 45 Cb 0.00 -3.02 0.21 0.00 1.34 0.00 0.00 72.50 71.04 1b1g s THR 45 CO 0.00 -0.09 1.72 0.25 -0.54 0.00 0.00 174.62 175.97 1b1g h LEU 46 N 0.48 0.23 -0.12 4.79 5.85 -1.99 0.14 115.31 124.69 1b1g h LEU 46 Ca -0.50 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.27 1b1g h LEU 46 Cb 1.30 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 1b1g h LEU 46 CO 0.53 0.08 -0.18 0.44 -0.34 0.00 0.00 178.44 178.97 1b1g h ASP 47 N 0.41 0.37 -0.07 1.25 3.32 -1.97 0.19 116.42 119.91 1b1g h ASP 47 Ca 0.41 -0.52 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1b1g h ASP 47 Cb 0.63 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1b1g h ASP 47 CO -0.42 0.82 0.02 -0.33 -1.72 0.00 0.00 179.24 177.62 1b1g h GLU 48 N -0.08 0.16 0.00 3.56 5.08 -1.56 0.15 114.58 121.90 1b1g h GLU 48 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1b1g h GLU 48 Cb 0.74 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1b1g h GLU 48 CO 0.04 0.16 -0.00 1.25 -1.00 0.00 0.00 179.01 179.46 1b1g h LEU 49 N 0.16 0.00 -0.92 1.33 5.85 -0.89 -3.34 115.31 117.50 1b1g h LEU 49 Ca 0.04 0.00 0.32 0.00 0.84 0.00 0.00 57.88 59.08 1b1g h LEU 49 Cb 0.08 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 40.94 1b1g h LEU 49 CO -0.00 0.29 0.24 0.33 -0.34 0.00 0.00 178.44 178.95 1b1g n PHE 50 N -3.59 0.81 1.08 1.25 7.35 0.64 -0.38 117.46 124.63 1b1g n PHE 50 Ca -0.00 1.10 0.13 0.00 -0.76 0.00 0.00 57.45 57.92 1b1g n PHE 50 Cb 0.00 -1.33 0.61 0.00 0.35 0.00 0.00 39.48 39.11 1b1g n PHE 50 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1b1g n GLU 51 N -5.24 0.21 0.38 -4.13 2.13 0.52 -0.05 120.64 114.46 1b1g n GLU 51 Ca 0.28 0.05 -0.17 0.00 0.66 0.00 0.00 57.16 57.98 1b1g n GLU 51 Cb 0.93 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 31.06 1b1g n GLU 51 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1b1g h GLU 52 N 0.00 -0.94 0.00 5.31 4.57 -0.82 -3.42 114.58 119.27 1b1g h GLU 52 Ca 0.00 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1b1g h GLU 52 Cb 0.33 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1b1g h GLU 52 CO 0.00 -0.61 0.00 1.28 -1.18 0.00 0.00 179.01 178.50 1b1g n LEU 53 N -5.45 0.00 -4.71 1.64 4.77 0.11 -4.69 117.00 108.68 1b1g n LEU 53 Ca -0.13 1.00 -0.42 0.00 -0.03 0.00 0.00 56.01 56.43 1b1g n LEU 53 Cb 0.40 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1b1g n LEU 53 CO 0.33 -0.50 0.95 -0.62 -1.33 0.00 0.00 177.39 176.22 1b1g s ASP 54 N -2.01 7.01 0.47 -1.43 -1.08 0.93 -4.77 116.67 115.79 1b1g s ASP 54 Ca 0.00 2.05 0.28 0.00 -0.52 0.00 0.00 52.55 54.36 1b1g s ASP 54 Cb 0.00 -2.58 1.34 0.00 -1.46 0.00 0.00 42.92 40.23 1b1g s ASP 54 CO 0.00 -0.54 1.77 0.11 0.52 0.00 0.00 175.17 177.03 1b1g h LYS 55 N 7.00 0.18 0.00 4.34 1.79 -1.88 -3.39 116.57 124.61 1b1g h LYS 55 Ca -0.40 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1b1g h LYS 55 Cb 1.20 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1b1g h LYS 55 CO 0.84 0.12 0.00 0.27 -1.08 0.00 0.00 179.45 179.60 1b1g n ASN 56 N -4.42 0.00 -1.06 0.86 6.94 -1.26 -5.11 115.26 111.20 1b1g n ASN 56 Ca 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.83 1b1g n ASN 56 Cb 1.10 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.52 1b1g n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1b1g n GLY 57 N -0.06 -0.83 0.38 4.83 0.00 -1.26 -5.02 105.19 103.22 1b1g n GLY 57 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.25 -0.05 0.00 1.61 5.68 -1.26 -4.97 116.55 117.32 1b1g n ASP 58 Ca 0.00 -0.74 0.00 0.00 -0.50 0.00 0.00 54.79 53.55 1b1g n ASP 58 Cb 0.00 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1b1g n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b1g n GLY 59 N 0.00 1.53 0.00 6.12 0.00 -1.26 -5.18 105.19 106.40 1b1g n GLY 59 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 2.03 -2.99 1.61 -0.58 -1.26 -4.86 120.64 114.59 1b1g n GLU 60 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 1b1g n GLU 60 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1b1g n GLU 60 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1b1g s VAL 61 N 0.38 4.88 0.27 2.62 1.01 -0.17 -4.90 120.40 124.48 1b1g s VAL 61 Ca 0.00 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1b1g s VAL 61 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1b1g s VAL 61 CO 0.00 -0.49 0.17 -0.94 0.00 0.00 0.00 175.10 173.83 1b1g s SER 62 N -3.27 1.05 0.31 3.32 1.04 -1.26 -0.23 113.70 114.67 1b1g s SER 62 Ca 0.48 -1.52 0.08 0.00 0.48 0.00 0.00 55.95 55.48 1b1g s SER 62 Cb -0.10 0.40 0.88 0.00 0.10 0.00 0.00 66.02 67.29 1b1g s SER 62 CO 0.32 -0.89 1.70 0.15 0.98 0.00 0.00 173.24 175.50 1b1g h PHE 63 N 2.35 0.84 -0.39 5.02 3.57 -1.95 0.84 116.94 127.22 1b1g h PHE 63 Ca -0.33 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.24 1b1g h PHE 63 Cb 1.25 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.72 1b1g h PHE 63 CO 0.87 -0.05 -0.23 -1.91 -2.23 0.00 0.00 178.31 174.77 1b1g n GLU 64 N -5.00 -0.17 0.09 1.11 2.13 -1.26 -1.84 120.64 115.70 1b1g n GLU 64 Ca 0.26 0.89 -0.00 0.00 0.66 0.00 0.00 57.16 58.97 1b1g n GLU 64 Cb 0.77 -1.31 -0.04 0.00 0.27 0.00 0.00 31.44 31.13 1b1g n GLU 64 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1b1g h GLU 65 N 0.00 0.00 -0.95 5.31 4.11 -1.26 -3.08 114.58 118.71 1b1g h GLU 65 Ca 0.06 0.00 0.26 0.00 0.07 0.00 0.00 59.36 59.76 1b1g h GLU 65 Cb 0.16 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1b1g h GLU 65 CO -0.36 0.52 0.67 0.35 0.07 0.00 0.00 179.01 180.25 1b1g h PHE 66 N 0.00 0.14 -0.14 2.06 3.04 -0.23 0.64 116.94 122.44 1b1g h PHE 66 Ca -0.07 0.00 0.04 0.00 3.98 0.00 0.00 57.97 61.93 1b1g h PHE 66 Cb 1.54 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 40.00 1b1g h PHE 66 CO 0.00 0.02 0.20 1.96 -2.02 0.00 0.00 178.31 178.48 1b1g h GLN 67 N 0.09 0.00 -0.23 1.11 1.08 -1.27 0.33 115.11 116.23 1b1g h GLN 67 Ca 0.47 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.55 1b1g h GLN 67 Cb 1.70 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.11 1b1g h GLN 67 CO -0.06 0.00 -0.35 0.28 -0.95 0.00 0.00 178.83 177.76 1b1g h VAL 68 N 0.00 1.29 -0.23 -0.54 2.07 -1.09 0.83 116.25 118.59 1b1g h VAL 68 Ca 0.06 -1.45 -0.16 0.00 0.82 0.00 0.00 66.70 65.97 1b1g h VAL 68 Cb 0.47 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1b1g h VAL 68 CO -0.00 0.46 -0.52 0.25 0.02 0.00 0.00 177.57 177.78 1b1g h LEU 69 N 0.41 0.70 -1.47 2.57 6.46 -0.51 0.44 115.31 123.91 1b1g h LEU 69 Ca 0.05 -0.36 0.15 0.00 -0.12 0.00 0.00 57.88 57.59 1b1g h LEU 69 Cb 0.80 -0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.47 1b1g h LEU 69 CO 0.07 1.09 0.54 0.58 -0.62 0.00 0.00 178.44 180.09 1b1g h VAL 70 N 0.50 0.80 -0.10 1.05 2.07 -0.63 0.24 116.25 120.18 1b1g h VAL 70 Ca 0.02 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1b1g h VAL 70 Cb 1.07 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1b1g h VAL 70 CO 0.10 0.09 0.01 0.50 0.02 0.00 0.00 177.57 178.29 1b1g h LYS 71 N 0.52 0.17 0.00 1.57 3.64 -0.42 -3.36 116.57 118.69 1b1g h LYS 71 Ca 0.41 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1b1g h LYS 71 Cb 0.82 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1b1g h LYS 71 CO -0.15 0.41 0.00 -0.22 -2.27 0.00 0.00 179.45 177.22 1b1g h LYS 72 N -0.09 0.00 0.00 1.90 3.64 0.16 0.10 116.57 122.28 1b1g h LYS 72 Ca 0.03 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1b1g h LYS 72 Cb 0.33 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1b1g h LYS 72 CO 0.00 0.00 -0.01 -0.84 -2.27 0.00 0.00 179.45 176.33 1b1g h ILE 73 N 0.00 0.25 0.01 2.00 3.07 -0.88 -2.28 117.51 119.67 1b1g h ILE 73 Ca 0.00 -0.07 -0.33 0.00 1.55 0.00 0.00 64.86 66.01 1b1g h ILE 73 Cb 0.77 1.06 -0.05 0.00 -0.27 0.00 0.00 36.82 38.33 1b1g h ILE 73 CO 0.00 0.01 -1.81 -1.20 -1.05 0.00 0.00 178.15 174.10 1b1g n SER 74 N -3.42 1.92 0.00 2.16 7.64 -0.69 -5.14 113.62 116.08 1b1g n SER 74 Ca -0.03 0.36 0.06 0.00 1.01 0.00 0.00 58.87 60.27 1b1g n SER 74 Cb 0.10 -0.89 0.33 0.00 -1.01 0.00 0.00 64.21 62.74 1b1g n SER 74 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70