#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mli h PRO 14 N 0.00 0.00 -0.21 1.20 0.11 -1.99 -2.79 132.00 128.32 3mli h PRO 14 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 3mli h PRO 14 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3mli h PRO 14 CO 0.00 0.38 -0.52 -0.07 -0.21 0.00 0.00 178.00 177.58 3mli h LEU 15 N 0.00 0.66 -0.70 2.35 4.07 -1.97 -1.26 115.31 118.47 3mli h LEU 15 Ca -0.00 -0.34 -0.01 0.00 0.08 0.00 0.00 57.88 57.61 3mli h LEU 15 Cb 0.79 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 3mli h LEU 15 CO 0.05 1.06 0.41 -2.24 -1.08 0.00 0.00 178.44 176.64 3mli h ASP 16 N 0.47 0.84 -0.22 -0.43 -0.00 -1.98 -2.13 116.42 112.98 3mli h ASP 16 Ca 0.02 -0.07 -0.19 0.00 -0.00 0.00 0.00 57.03 56.78 3mli h ASP 16 Cb 1.06 -0.21 0.00 0.00 -0.00 0.00 0.00 39.33 40.19 3mli h ASP 16 CO 0.10 0.66 -0.62 0.11 -0.00 0.00 0.00 179.24 179.50 3mli h LYS 17 N 0.95 0.81 -0.47 4.15 1.79 -1.44 -2.93 116.57 119.44 3mli h LYS 17 Ca 0.25 -0.57 -0.01 0.00 -2.18 0.00 0.00 60.65 58.13 3mli h LYS 17 Cb -0.02 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 3mli h LYS 17 CO -0.05 1.20 0.25 2.35 -1.08 0.00 0.00 179.45 182.12 3mli h TRP 18 N 0.56 0.64 -0.50 -1.35 7.01 -1.09 -1.88 115.95 119.35 3mli h TRP 18 Ca -0.01 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.00 3mli h TRP 18 Cb 1.23 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 28.05 3mli h TRP 18 CO 0.08 0.48 0.29 -0.91 -2.79 0.00 0.00 178.44 175.59 3mli h ASN 19 N 0.61 0.45 -0.80 2.65 2.35 -1.40 -1.04 115.58 118.40 3mli h ASN 19 Ca 0.16 0.01 0.07 0.00 -0.55 0.00 0.00 56.30 55.99 3mli h ASN 19 Cb 0.06 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.28 3mli h ASN 19 CO -0.03 0.31 0.48 -0.78 -1.65 0.00 0.00 177.43 175.77 3mli h ASP 20 N 0.57 0.73 -0.07 5.81 3.58 -1.28 -1.67 116.42 124.08 3mli h ASP 20 Ca 0.21 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.67 3mli h ASP 20 Cb 0.05 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 3mli h ASP 20 CO -0.11 0.46 -0.02 0.40 -2.88 0.00 0.00 179.24 177.09 3mli h ILE 21 N 0.86 1.30 -0.89 2.25 1.08 -0.74 -0.19 117.51 121.17 3mli h ILE 21 Ca 0.36 -0.93 0.11 0.00 -0.39 0.00 0.00 64.86 64.01 3mli h ILE 21 Cb 0.22 1.79 -0.07 0.00 -3.07 0.00 0.00 36.82 35.69 3mli h ILE 21 CO -0.19 0.26 0.57 0.40 -0.69 0.00 0.00 178.15 178.50 3mli h ILE 22 N -0.21 0.92 0.00 -0.67 1.08 -0.73 0.38 117.51 118.28 3mli h ILE 22 Ca 0.02 -0.28 -0.12 0.00 -0.39 0.00 0.00 64.86 64.09 3mli h ILE 22 Cb 0.42 0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 3mli h ILE 22 CO 0.01 0.15 -1.13 -0.26 -0.69 0.00 0.00 178.15 176.22 3mli h PHE 23 N 0.82 0.00 -0.00 1.37 -1.00 -1.28 -3.39 116.94 113.46 3mli h PHE 23 Ca 0.43 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.21 3mli h PHE 23 Cb 0.51 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.07 3mli h PHE 23 CO -0.00 0.43 -0.64 0.72 -1.61 0.00 0.00 178.31 177.20 3mli n HIS 24 N -2.91 0.00 -2.14 -0.55 8.25 -0.09 -4.96 115.22 112.82 3mli n HIS 24 Ca -0.05 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.11 3mli n HIS 24 Cb 0.75 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.88 3mli n HIS 24 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mli s ALA 25 N -2.33 3.16 0.57 -1.41 0.00 0.13 -5.02 121.76 116.86 3mli s ALA 25 Ca 0.07 -0.33 -0.19 0.00 0.00 0.00 0.00 51.96 51.50 3mli s ALA 25 Cb 0.12 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.30 3mli s ALA 25 CO 0.58 -0.71 0.92 -1.13 0.00 0.00 0.00 175.76 175.42 3mli n SER 26 N -2.66 0.63 -0.31 0.00 3.41 -1.26 -4.74 113.62 108.69 3mli n SER 26 Ca 0.05 0.83 0.05 0.00 -0.26 0.00 0.00 58.87 59.54 3mli n SER 26 Cb 0.55 -1.36 0.24 0.00 -0.26 0.00 0.00 64.21 63.39 3mli n SER 26 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3mli h LYS 27 N 0.63 0.99 0.07 4.33 -0.00 -1.95 -1.23 116.57 119.42 3mli h LYS 27 Ca -0.47 -0.06 0.02 0.00 -0.00 0.00 0.00 60.65 60.14 3mli h LYS 27 Cb 1.36 -0.22 -0.05 0.00 -0.00 0.00 0.00 32.23 33.32 3mli h LYS 27 CO 0.51 0.65 -0.40 1.57 -0.00 0.00 0.00 179.45 181.79 3mli h LYS 28 N 1.02 -0.58 -0.36 0.07 2.10 -1.99 0.93 116.57 117.76 3mli h LYS 28 Ca 0.40 0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 59.06 3mli h LYS 28 Cb 0.25 0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 3mli h LYS 28 CO -0.16 -0.38 0.10 -0.07 -2.00 0.00 0.00 179.45 176.93 3mli h LEU 29 N -0.60 0.54 -0.12 7.07 3.38 -1.82 -1.70 115.31 122.06 3mli h LEU 29 Ca 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3mli h LEU 29 Cb 0.65 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3mli h LEU 29 CO -0.26 0.62 0.05 0.28 0.09 0.00 0.00 178.44 179.22 3mli h SER 30 N 0.43 0.17 -0.72 -0.43 0.02 -1.12 -0.53 113.55 111.37 3mli h SER 30 Ca 0.11 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3mli h SER 30 Cb 0.29 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 3mli h SER 30 CO -0.00 0.29 0.44 0.11 -1.14 0.00 0.00 176.83 176.53 3mli h LYS 31 N 0.04 0.82 0.07 3.45 6.56 -0.83 -0.90 116.57 125.77 3mli h LYS 31 Ca 0.04 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 3mli h LYS 31 Cb 0.18 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3mli h LYS 31 CO -0.00 0.54 -0.03 1.57 -2.06 0.00 0.00 179.45 179.46 3mli h LYS 32 N 0.84 -0.09 -0.33 3.15 2.10 -1.09 -2.60 116.57 118.56 3mli h LYS 32 Ca 0.30 0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.93 3mli h LYS 32 Cb 0.08 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.41 3mli h LYS 32 CO -0.13 0.07 0.09 1.49 -2.00 0.00 0.00 179.45 178.96 3mli h GLU 33 N -0.23 0.52 -0.70 0.07 4.57 -0.97 -2.27 114.58 115.58 3mli h GLU 33 Ca -0.01 -0.12 -0.07 0.00 -1.18 0.00 0.00 59.36 57.98 3mli h GLU 33 Cb 0.20 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 3mli h GLU 33 CO 0.02 0.57 0.16 -0.07 -1.18 0.00 0.00 179.01 178.50 3mli h LEU 34 N 0.37 1.07 -1.54 1.64 3.38 -1.20 -1.95 115.31 117.08 3mli h LEU 34 Ca 0.10 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3mli h LEU 34 Cb 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3mli h LEU 34 CO -0.00 1.03 -0.23 -0.08 0.09 0.00 0.00 178.44 179.25 3mli h GLU 35 N 1.06 0.00 -0.27 1.13 4.57 -1.36 -0.46 114.58 119.25 3mli h GLU 35 Ca 0.22 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.29 3mli h GLU 35 Cb 0.39 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3mli h GLU 35 CO 0.00 0.23 -0.24 -0.09 -1.18 0.00 0.00 179.01 177.73 3mli h ARG 36 N 0.00 0.64 -0.26 1.92 2.43 -0.94 -0.55 114.38 117.62 3mli h ARG 36 Ca -0.00 -0.33 -0.15 0.00 -0.81 0.00 0.00 59.98 58.69 3mli h ARG 36 Cb 0.41 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3mli h ARG 36 CO 0.03 0.93 -0.44 -0.07 -1.51 0.00 0.00 179.97 178.91 3mli h LEU 37 N 0.37 0.71 -0.36 3.80 3.38 -0.68 -1.99 115.31 120.54 3mli h LEU 37 Ca 0.05 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3mli h LEU 37 Cb 0.80 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3mli h LEU 37 CO 0.06 1.05 0.11 -0.07 0.09 0.00 0.00 178.44 179.68 3mli h LEU 38 N 0.53 0.52 -1.17 1.67 3.38 -1.01 -1.17 115.31 118.05 3mli h LEU 38 Ca 0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3mli h LEU 38 Cb 0.98 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 3mli h LEU 38 CO 0.09 0.59 0.47 -0.08 0.09 0.00 0.00 178.44 179.60 3mli h GLU 39 N 0.43 1.04 -0.08 1.13 4.81 -1.03 -0.77 114.58 120.10 3mli h GLU 39 Ca 0.11 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3mli h GLU 39 Cb 0.25 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 3mli h GLU 39 CO -0.00 0.72 0.03 -0.07 -0.73 0.00 0.00 179.01 178.95 3mli h LEU 40 N 1.06 0.11 -1.03 1.64 4.07 -1.03 0.23 115.31 120.36 3mli h LEU 40 Ca 0.28 -0.17 -0.02 0.00 0.08 0.00 0.00 57.88 58.06 3mli h LEU 40 Cb -0.06 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.61 3mli h LEU 40 CO -0.05 0.25 0.42 0.25 -1.08 0.00 0.00 178.44 178.22 3mli h LEU 41 N -0.03 0.99 -0.44 1.67 5.85 -0.94 -0.91 115.31 121.49 3mli h LEU 41 Ca 0.03 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 3mli h LEU 41 Cb 0.17 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3mli h LEU 41 CO -0.00 0.80 0.06 0.00 -0.34 0.00 0.00 178.44 178.95 3mli h ALA 42 N 1.36 0.58 -0.12 1.25 0.00 -0.92 -0.46 119.26 120.95 3mli h ALA 42 Ca 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3mli h ALA 42 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3mli h ALA 42 CO -0.04 0.32 0.05 -0.07 0.00 0.00 0.00 179.25 179.50 3mli h LEU 43 N 0.59 0.17 -0.06 0.00 3.38 -0.70 -1.35 115.31 117.33 3mli h LEU 43 Ca 0.13 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3mli h LEU 43 Cb 0.40 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3mli h LEU 43 CO 0.01 0.28 -0.10 0.00 0.09 0.00 0.00 178.44 178.72 3mli h GLU 45 N -0.14 0.63 -0.85 0.00 5.08 -1.03 -2.65 114.58 115.61 3mli h GLU 45 Ca 0.06 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3mli h GLU 45 Cb 0.23 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 3mli h GLU 45 CO -0.15 0.76 0.56 1.15 -1.00 0.00 0.00 179.01 180.33 3mli h THR 46 N 0.43 1.18 -0.55 1.13 2.02 -1.20 -2.69 112.91 113.23 3mli h THR 46 Ca 0.10 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 66.91 3mli h THR 46 Cb 0.49 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3mli h THR 46 CO 0.02 0.20 0.34 0.15 0.37 0.00 0.00 175.52 176.60 3mli h PHE 47 N 1.12 0.63 -1.01 3.16 3.57 -1.10 0.17 116.94 123.48 3mli h PHE 47 Ca 0.32 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.85 3mli h PHE 47 Cb -0.07 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.41 3mli h PHE 47 CO -0.02 0.37 0.67 0.82 -2.23 0.00 0.00 178.31 177.92 3mli h ILE 48 N 0.67 1.26 -0.36 1.41 2.04 -1.19 0.37 117.51 121.71 3mli h ILE 48 Ca 0.22 -0.47 -0.17 0.00 1.00 0.00 0.00 64.86 65.44 3mli h ILE 48 Cb 0.00 -0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 35.85 3mli h ILE 48 CO -0.09 0.25 -0.42 -0.33 0.00 0.00 0.00 178.15 177.56 3mli h GLU 49 N 1.37 0.92 -0.55 2.37 5.08 -1.11 0.78 114.58 123.44 3mli h GLU 49 Ca 0.37 -0.51 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 3mli h GLU 49 Cb -0.16 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3mli h GLU 49 CO -0.08 1.16 0.07 -0.22 -1.00 0.00 0.00 179.01 178.94 3mli h LYS 50 N 0.74 0.88 -0.00 2.33 3.11 -0.33 -2.73 116.57 120.57 3mli h LYS 50 Ca 0.05 -0.21 0.00 0.00 -2.81 0.00 0.00 60.65 57.68 3mli h LYS 50 Cb 1.02 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.14 3mli h LYS 50 CO 0.10 0.83 -0.20 -1.91 -2.81 0.00 0.00 179.45 175.46 3mli n GLU 51 N -4.24 0.60 -3.20 1.90 4.07 0.09 -4.98 120.64 114.88 3mli n GLU 51 Ca 0.03 -0.27 -0.15 0.00 -0.06 0.00 0.00 57.16 56.71 3mli n GLU 51 Cb 0.27 -1.49 0.07 0.00 -0.06 0.00 0.00 31.44 30.23 3mli n GLU 51 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 3mli n ASP 52 N -0.96 -2.76 -0.73 4.31 4.64 -0.51 -4.98 116.55 115.56 3mli n ASP 52 Ca 0.12 -0.49 0.06 0.00 -1.38 0.00 0.00 54.79 53.10 3mli n ASP 52 Cb 0.31 -4.22 0.21 0.00 -1.04 0.00 0.00 41.12 36.39 3mli n ASP 52 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3mli n LEU 53 N -3.65 3.49 -0.02 -2.67 4.77 0.15 -4.87 117.00 114.20 3mli n LEU 53 Ca -0.18 -3.26 -0.01 0.00 -0.03 0.00 0.00 56.01 52.53 3mli n LEU 53 Cb 0.62 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3mli n LEU 53 CO 0.50 0.86 0.50 -0.33 -1.33 0.00 0.00 177.39 177.58 3mli h GLU 54 N 1.12 -0.02 -0.32 3.23 3.07 -1.94 -0.61 114.58 119.12 3mli h GLU 54 Ca 0.05 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.84 3mli h GLU 54 Cb 1.36 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.26 3mli h GLU 54 CO 0.19 -0.01 -0.09 1.05 -1.40 0.00 0.00 179.01 178.75 3mli h GLU 55 N -0.02 0.54 -0.71 2.33 9.09 -1.98 -0.95 114.58 122.89 3mli h GLU 55 Ca 0.01 -0.15 -0.05 0.00 0.05 0.00 0.00 59.36 59.23 3mli h GLU 55 Cb 0.04 -0.06 -0.03 0.00 -1.65 0.00 0.00 28.75 27.04 3mli h GLU 55 CO -0.05 0.63 0.26 -0.22 0.05 0.00 0.00 179.01 179.68 3mli h LYS 56 N 0.50 1.06 -0.26 1.06 1.63 -1.87 -0.52 116.57 118.17 3mli h LYS 56 Ca 0.10 -0.19 -0.19 0.00 -0.85 0.00 0.00 60.65 59.51 3mli h LYS 56 Cb 0.47 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 3mli h LYS 56 CO 0.03 0.87 -0.58 0.35 -3.45 0.00 0.00 179.45 176.67 3mli h PHE 57 N 1.03 1.08 0.00 1.91 3.57 -0.86 -2.53 116.94 121.14 3mli h PHE 57 Ca 0.24 -0.40 -0.05 0.00 3.53 0.00 0.00 57.97 61.29 3mli h PHE 57 Cb 0.23 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3mli h PHE 57 CO 0.02 1.23 -0.22 0.93 -2.23 0.00 0.00 178.31 178.05 3mli h GLU 58 N 0.62 0.00 -0.00 1.11 5.08 -0.88 0.14 114.58 120.65 3mli h GLU 58 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mli h GLU 58 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3mli h GLU 58 CO 0.13 0.22 -0.30 0.43 -1.00 0.00 0.00 179.01 178.48 3mli n SER 59 N -3.92 0.63 -0.09 1.42 7.64 -0.23 -2.38 113.62 116.69 3mli n SER 59 Ca -0.02 -0.46 -0.21 0.00 1.01 0.00 0.00 58.87 59.20 3mli n SER 59 Cb 0.30 0.08 -0.12 0.00 -1.01 0.00 0.00 64.21 63.46 3mli n SER 59 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3mli n PHE 60 N -1.11 0.46 -0.01 1.43 7.35 -0.87 -3.90 117.46 120.81 3mli n PHE 60 Ca 0.10 0.11 -0.02 0.00 -0.76 0.00 0.00 57.45 56.88 3mli n PHE 60 Cb 0.33 -1.06 0.24 0.00 0.35 0.00 0.00 39.48 39.34 3mli n PHE 60 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3mli h ALA 61 N -0.11 1.23 -0.00 3.13 0.00 -0.80 -2.76 119.26 119.94 3mli h ALA 61 Ca -0.53 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 53.95 3mli h ALA 61 Cb 1.88 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 3mli h ALA 61 CO -0.08 0.50 -0.79 1.57 0.00 0.00 0.00 179.25 180.46 3mli h LYS 62 N 0.50 0.08 0.00 0.00 5.09 -1.68 -3.21 116.57 117.36 3mli h LYS 62 Ca 0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 60.65 60.73 3mli h LYS 62 Cb 0.47 0.02 -0.00 0.00 0.10 0.00 0.00 32.23 32.82 3mli h LYS 62 CO 0.03 0.82 -0.11 0.00 -2.09 0.00 0.00 179.45 178.10 3mli h ALA 63 N 1.15 1.29 -0.79 0.07 0.00 -1.61 -3.01 119.26 116.37 3mli h ALA 63 Ca -0.02 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3mli h ALA 63 Cb 1.38 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 3mli h ALA 63 CO 0.11 0.14 0.49 1.25 0.00 0.00 0.00 179.25 181.24 3mli h LEU 64 N 0.00 0.78 -1.51 0.00 6.46 -1.54 -1.01 115.31 118.50 3mli h LEU 64 Ca -0.00 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 3mli h LEU 64 Cb 0.33 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 3mli h LEU 64 CO 0.01 0.52 -0.01 0.03 -0.62 0.00 0.00 178.44 178.37 3mli h ARG 65 N 0.92 0.30 0.00 1.25 2.47 -1.72 -3.28 114.38 114.32 3mli h ARG 65 Ca 0.33 -0.05 -0.18 0.00 -1.26 0.00 0.00 59.98 58.82 3mli h ARG 65 Cb 0.10 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.34 3mli h ARG 65 CO -0.15 0.34 -2.16 0.44 0.56 0.00 0.00 179.97 179.00 3mli n ILE 66 N -4.36 0.68 -3.35 2.04 -6.64 -1.08 -4.95 119.36 101.71 3mli n ILE 66 Ca 0.00 -0.66 -0.41 0.00 -1.77 0.00 0.00 62.75 59.91 3mli n ILE 66 Cb 0.19 -0.23 -0.09 0.00 -1.44 0.00 0.00 39.64 38.07 3mli n ILE 66 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 3mli s ASP 67 N -4.94 6.23 0.28 7.28 2.15 -0.40 -4.97 116.67 122.29 3mli s ASP 67 Ca -0.09 -0.14 0.08 0.00 0.43 0.00 0.00 52.55 52.83 3mli s ASP 67 Cb 0.10 -2.22 0.41 0.00 -0.30 0.00 0.00 42.92 40.90 3mli s ASP 67 CO 0.85 -0.37 1.65 1.05 -0.17 0.00 0.00 175.17 178.18 3mli h GLU 68 N 8.44 0.15 -0.43 4.34 4.11 -1.90 -1.82 114.58 127.47 3mli h GLU 68 Ca -0.29 -0.08 -0.14 0.00 0.07 0.00 0.00 59.36 58.91 3mli h GLU 68 Cb 1.14 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3mli h GLU 68 CO 0.71 0.63 -0.27 0.93 0.07 0.00 0.00 179.01 181.08 3mli h GLU 69 N 0.12 0.94 -0.12 1.06 5.08 -1.96 -2.69 114.58 117.00 3mli h GLU 69 Ca 0.00 -0.44 -0.22 0.00 -1.00 0.00 0.00 59.36 57.71 3mli h GLU 69 Cb 0.95 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.19 3mli h GLU 69 CO 0.07 1.10 -0.79 1.25 -1.00 0.00 0.00 179.01 179.65 3mli h LEU 70 N 0.78 0.81 -0.85 1.33 5.85 -1.91 -2.66 115.31 118.66 3mli h LEU 70 Ca 0.09 -0.54 0.12 0.00 0.84 0.00 0.00 57.88 58.38 3mli h LEU 70 Cb 0.85 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.56 3mli h LEU 70 CO 0.08 1.33 0.47 1.56 -0.34 0.00 0.00 178.44 181.54 3mli h GLN 71 N 0.46 0.72 0.08 1.25 4.20 -1.28 -0.26 115.11 120.27 3mli h GLN 71 Ca -0.05 -0.04 -0.26 0.00 0.06 0.00 0.00 58.65 58.36 3mli h GLN 71 Cb 1.40 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.02 3mli h GLN 71 CO 0.15 0.47 -1.13 -0.56 -0.67 0.00 0.00 178.83 177.10 3mli h GLN 72 N 0.74 0.32 -0.75 1.46 3.07 -1.52 -2.75 115.11 115.67 3mli h GLN 72 Ca 0.44 -0.45 -0.01 0.00 0.09 0.00 0.00 58.65 58.71 3mli h GLN 72 Cb 0.50 0.15 -0.04 0.00 0.08 0.00 0.00 27.48 28.18 3mli h GLN 72 CO -0.30 1.17 0.43 -0.22 0.09 0.00 0.00 178.83 180.00 3mli h LYS 73 N 0.13 1.04 -0.16 0.06 1.63 -1.02 -0.82 116.57 117.43 3mli h LYS 73 Ca -0.11 -0.11 -0.08 0.00 -0.85 0.00 0.00 60.65 59.49 3mli h LYS 73 Cb 1.82 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 33.24 3mli h LYS 73 CO 0.19 0.76 -0.21 0.82 -3.45 0.00 0.00 179.45 177.56 3mli h ILE 74 N 1.04 1.35 -0.67 2.00 1.08 -1.17 -2.98 117.51 118.16 3mli h ILE 74 Ca 0.27 -1.41 0.08 0.00 -0.39 0.00 0.00 64.86 63.41 3mli h ILE 74 Cb 0.01 1.89 -0.04 0.00 -3.07 0.00 0.00 36.82 35.61 3mli h ILE 74 CO -0.05 0.42 0.45 -0.33 -0.69 0.00 0.00 178.15 177.95 3mli h GLU 75 N 0.06 0.58 -0.23 2.37 4.39 -1.26 -0.60 114.58 119.89 3mli h GLU 75 Ca 0.02 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 3mli h GLU 75 Cb 0.77 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 3mli h GLU 75 CO 0.05 0.38 0.06 1.03 -1.16 0.00 0.00 179.01 179.37 3mli h SER 76 N 0.59 0.34 -0.41 1.42 0.87 -1.09 -2.21 113.55 113.06 3mli h SER 76 Ca 0.30 -0.23 -0.15 0.00 -1.23 0.00 0.00 61.79 60.49 3mli h SER 76 Cb 0.41 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3mli h SER 76 CO -0.10 0.48 -0.31 -0.09 -0.53 0.00 0.00 176.83 176.28 3mli h ARG 77 N 0.19 0.94 -0.28 2.24 2.43 -1.20 -1.95 114.38 116.75 3mli h ARG 77 Ca 0.07 -0.46 0.05 0.00 -0.81 0.00 0.00 59.98 58.83 3mli h ARG 77 Cb 0.27 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.74 3mli h ARG 77 CO 0.00 1.12 -0.48 -0.22 -1.51 0.00 0.00 179.97 178.88 3mli h LYS 78 N 0.76 -0.43 -0.47 0.20 3.64 -1.12 0.26 116.57 119.42 3mli h LYS 78 Ca 0.08 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.58 3mli h LYS 78 Cb 0.90 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.74 3mli h LYS 78 CO 0.08 -0.28 -0.00 1.15 -2.27 0.00 0.00 179.45 178.12 3mli h THR 79 N -0.44 0.63 -0.20 1.00 2.02 -1.33 -0.35 112.91 114.24 3mli h THR 79 Ca 0.09 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 3mli h THR 79 Cb 0.62 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3mli h THR 79 CO -0.51 0.02 0.12 0.44 0.37 0.00 0.00 175.52 175.96 3mli h ASP 80 N 0.11 0.24 -0.20 4.18 3.32 -0.51 -0.37 116.42 123.18 3mli h ASP 80 Ca 0.23 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.27 3mli h ASP 80 Cb 0.35 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3mli h ASP 80 CO -0.39 0.22 0.00 0.40 -1.72 0.00 0.00 179.24 177.75 3mli h ILE 81 N 0.24 0.86 -0.32 0.35 2.04 0.20 -2.30 117.51 118.58 3mli h ILE 81 Ca 0.07 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.95 3mli h ILE 81 Cb 0.02 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3mli h ILE 81 CO -0.01 0.01 0.09 0.58 0.00 0.00 0.00 178.15 178.82 3mli h VAL 82 N 0.07 0.88 -0.28 1.67 2.07 -0.90 0.11 116.25 119.87 3mli h VAL 82 Ca 0.10 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.57 3mli h VAL 82 Cb 0.12 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3mli h VAL 82 CO -0.16 0.04 0.09 0.40 0.02 0.00 0.00 177.57 177.96 3mli h ILE 83 N 0.22 0.91 -0.60 4.57 2.04 -0.74 0.90 117.51 124.81 3mli h ILE 83 Ca 0.15 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 3mli h ILE 83 Cb 0.14 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3mli h ILE 83 CO -0.17 0.04 0.19 -0.61 0.00 0.00 0.00 178.15 177.60 3mli h GLN 84 N 0.21 0.92 -0.35 2.37 5.75 -1.20 -0.58 115.11 122.24 3mli h GLN 84 Ca 0.13 -0.20 0.05 0.00 -0.15 0.00 0.00 58.65 58.48 3mli h GLN 84 Cb 0.10 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.47 3mli h GLN 84 CO -0.14 0.82 0.08 1.03 -2.65 0.00 0.00 178.83 177.97 3mli h SER 85 N 0.84 0.04 -0.39 -0.69 0.87 -0.47 0.22 113.55 113.97 3mli h SER 85 Ca 0.19 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3mli h SER 85 Cb 0.28 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3mli h SER 85 CO -0.01 0.06 0.23 0.24 -0.53 0.00 0.00 176.83 176.82 3mli h MET 86 N 0.21 0.54 -0.70 2.24 2.86 -0.57 -1.82 114.93 117.68 3mli h MET 86 Ca 0.16 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3mli h MET 86 Cb 0.18 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 3mli h MET 86 CO -0.21 0.41 0.43 0.00 1.06 0.00 0.00 176.91 178.60 3mli h ALA 87 N 1.10 0.89 -0.77 6.32 0.00 -0.40 0.14 119.26 126.54 3mli h ALA 87 Ca 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3mli h ALA 87 Cb 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3mli h ALA 87 CO -0.03 0.34 0.43 -0.91 0.00 0.00 0.00 179.25 179.08 3mli h ASN 88 N 0.95 0.96 0.06 0.00 2.35 -0.11 0.31 115.58 120.09 3mli h ASN 88 Ca 0.25 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3mli h ASN 88 Cb -0.06 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.07 3mli h ASN 88 CO -0.05 0.77 -0.03 0.40 -1.65 0.00 0.00 177.43 176.87 3mli h ILE 89 N 1.06 1.21 -0.45 2.81 2.04 -0.80 -2.36 117.51 121.02 3mli h ILE 89 Ca 0.27 -0.95 0.11 0.00 1.00 0.00 0.00 64.86 65.29 3mli h ILE 89 Cb 0.02 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3mli h ILE 89 CO -0.04 0.24 0.32 -0.07 0.00 0.00 0.00 178.15 178.59 3mli h LEU 90 N -0.51 0.11 -0.42 1.44 3.38 -0.57 0.31 115.31 119.05 3mli h LEU 90 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3mli h LEU 90 Cb 0.45 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3mli h LEU 90 CO 0.01 0.06 -0.17 -1.28 0.09 0.00 0.00 178.44 177.15 3mli h SER 91 N 0.12 0.88 1.07 -0.43 0.87 -0.81 -3.10 113.55 112.14 3mli h SER 91 Ca 0.21 -0.39 -0.04 0.00 -1.23 0.00 0.00 61.79 60.34 3mli h SER 91 Cb 0.69 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 3mli h SER 91 CO -0.02 1.08 -0.19 1.23 -0.53 0.00 0.00 176.83 178.39 3mli h GLY 92 N 0.68 0.00 0.69 5.77 0.00 -0.43 -2.90 103.07 106.88 3mli h GLY 92 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 3mli h GLY 92 CO 0.06 0.00 -0.00 0.17 0.00 0.00 0.00 176.54 176.76 3mli h LEU 93 N 0.00 0.07 -1.31 3.11 -0.00 -1.22 -2.57 115.31 113.39 3mli h LEU 93 Ca -0.00 -0.34 -0.04 0.00 -0.00 0.00 0.00 57.88 57.50 3mli h LEU 93 Cb 0.78 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.40 3mli h LEU 93 CO 0.02 0.39 0.00 -0.33 -0.00 0.00 0.00 178.44 178.53 3mli h GLU 94 N -0.25 0.46 -0.38 0.17 3.07 -1.57 -2.73 114.58 113.34 3mli h GLU 94 Ca 0.01 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 58.70 3mli h GLU 94 Cb 0.36 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 3mli h GLU 94 CO 0.00 0.49 -0.09 0.45 -1.40 0.00 0.00 179.01 178.47 3mli h HIS 95 N 0.45 0.70 0.00 4.33 3.86 -1.41 -2.97 115.15 120.11 3mli h HIS 95 Ca 0.10 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3mli h HIS 95 Cb 0.30 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3mli h HIS 95 CO 0.01 0.72 0.00 0.72 0.86 0.00 0.00 177.93 180.23 3mli n HIS 96 N -4.19 0.00 1.53 2.45 8.25 -0.98 -5.11 115.22 117.17 3mli n HIS 96 Ca 0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.60 3mli n HIS 96 Cb 0.33 -0.02 0.73 0.00 1.12 0.00 0.00 29.99 32.15 3mli n HIS 96 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70