#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u5o n PRO 5 N 0.00 1.51 -0.35 1.97 -0.02 -1.26 -4.76 135.00 132.09 1u5o n PRO 5 Ca 0.00 0.54 0.06 0.00 -2.02 0.00 0.00 63.50 62.07 1u5o n PRO 5 Cb 0.00 -2.07 0.21 0.00 -0.02 0.00 0.00 33.50 31.62 1u5o n PRO 5 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1u5o h ILE 6 N 1.81 0.94 -0.08 4.25 2.10 -2.05 0.08 117.51 124.56 1u5o h ILE 6 Ca -0.44 -0.33 -0.01 0.00 1.08 0.00 0.00 64.86 65.15 1u5o h ILE 6 Cb 1.33 -0.12 -0.01 0.00 -1.09 0.00 0.00 36.82 36.93 1u5o h ILE 6 CO 0.59 0.18 -0.01 4.11 -1.08 0.00 0.00 178.15 181.93 1u5o h TRP 7 N 0.97 0.11 -0.24 2.19 0.09 -1.97 -1.68 115.95 115.42 1u5o h TRP 7 Ca 0.47 -0.00 -0.17 0.00 0.09 0.00 0.00 58.89 59.27 1u5o h TRP 7 Cb 0.42 -0.04 0.00 0.00 0.08 0.00 0.00 29.16 29.63 1u5o h TRP 7 CO -0.02 0.13 -0.52 0.93 0.09 0.00 0.00 178.44 179.05 1u5o h GLU 8 N 0.11 0.77 -0.44 0.12 5.08 -1.34 -2.13 114.58 116.75 1u5o h GLU 8 Ca 0.03 -0.51 0.02 0.00 -1.00 0.00 0.00 59.36 57.90 1u5o h GLU 8 Cb 0.10 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1u5o h GLU 8 CO 0.00 1.14 0.25 1.96 -1.00 0.00 0.00 179.01 181.36 1u5o h GLN 9 N 0.51 0.49 0.52 2.33 4.20 -0.76 -0.68 115.11 121.73 1u5o h GLN 9 Ca 0.00 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1u5o h GLN 9 Cb 1.13 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.81 1u5o h GLN 9 CO 0.11 0.33 -0.25 0.82 -0.67 0.00 0.00 178.83 179.17 1u5o h ILE 10 N 0.51 0.43 -0.55 2.54 2.04 -1.35 -2.53 117.51 118.60 1u5o h ILE 10 Ca 0.18 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1u5o h ILE 10 Cb 0.03 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 1u5o h ILE 10 CO -0.09 0.04 0.25 1.23 0.00 0.00 0.00 178.15 179.59 1u5o h GLY 11 N -0.89 0.78 0.95 5.37 0.00 -1.31 -0.97 103.07 107.00 1u5o h GLY 11 Ca -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1u5o h GLY 11 CO 0.12 0.07 0.17 1.76 0.00 0.00 0.00 176.54 178.65 1u5o h SER 12 N 0.48 0.42 0.19 0.19 0.02 -1.19 -0.44 113.55 113.22 1u5o h SER 12 Ca 0.26 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1u5o h SER 12 Cb 0.22 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1u5o h SER 12 CO -0.21 0.41 -0.14 -1.28 -1.14 0.00 0.00 176.83 174.47 1u5o h SER 13 N 0.40 0.00 0.04 3.07 0.87 -1.17 -1.32 113.55 115.44 1u5o h SER 13 Ca 0.11 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.59 1u5o h SER 13 Cb 0.09 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1u5o h SER 13 CO -0.02 0.14 -0.37 0.15 -0.53 0.00 0.00 176.83 176.21 1u5o h PHE 14 N 0.00 0.29 -0.23 2.24 3.04 -0.57 -2.82 116.94 118.88 1u5o h PHE 14 Ca -0.00 -0.19 -0.06 0.00 3.98 0.00 0.00 57.97 61.70 1u5o h PHE 14 Cb 0.27 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 1u5o h PHE 14 CO 0.00 1.08 -0.12 -0.84 -2.02 0.00 0.00 178.31 176.41 1u5o h ILE 15 N -0.59 1.21 -0.40 1.41 -0.00 -0.91 0.30 117.51 118.52 1u5o h ILE 15 Ca -0.06 -0.91 -0.05 0.00 -0.00 0.00 0.00 64.86 63.83 1u5o h ILE 15 Cb 1.22 1.17 -0.02 0.00 -0.00 0.00 0.00 36.82 39.19 1u5o h ILE 15 CO 0.07 0.29 0.04 -0.61 -0.00 0.00 0.00 178.15 177.94 1u5o h GLN 16 N 0.36 0.69 -0.68 0.16 4.15 -1.34 0.23 115.11 118.66 1u5o h GLN 16 Ca 0.07 -0.20 -0.07 0.00 0.77 0.00 0.00 58.65 59.22 1u5o h GLN 16 Cb 0.44 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 1u5o h GLN 16 CO 0.02 0.75 0.16 1.25 -1.93 0.00 0.00 178.83 179.09 1u5o h HIS 17 N 0.53 1.15 -0.45 3.99 2.76 -1.14 -0.52 115.15 121.47 1u5o h HIS 17 Ca 0.12 -0.14 -0.13 0.00 -2.20 0.00 0.00 60.37 58.02 1u5o h HIS 17 Cb 0.42 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 1u5o h HIS 17 CO 0.03 0.94 -0.23 -0.92 -1.30 0.00 0.00 177.93 176.45 1u5o h TYR 18 N 1.02 1.09 0.00 5.26 5.03 -0.04 -2.37 116.97 126.96 1u5o h TYR 18 Ca 0.21 -0.27 0.00 0.00 2.58 0.00 0.00 58.73 61.25 1u5o h TYR 18 Cb 0.38 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.41 1u5o h TYR 18 CO 0.03 1.08 -0.31 0.66 -1.32 0.00 0.00 178.16 178.30 1u5o n TYR 19 N -4.15 0.49 0.04 -3.82 4.01 0.76 -1.58 117.16 112.92 1u5o n TYR 19 Ca -0.01 0.14 -0.10 0.00 -0.16 0.00 0.00 57.90 57.77 1u5o n TYR 19 Cb 0.46 -0.66 -0.13 0.00 -0.31 0.00 0.00 39.34 38.70 1u5o n TYR 19 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1u5o h GLN 20 N 0.00 0.08 0.01 -0.72 4.15 -1.03 -2.54 115.11 115.06 1u5o h GLN 20 Ca 0.00 -0.14 -0.08 0.00 0.77 0.00 0.00 58.65 59.21 1u5o h GLN 20 Cb 0.66 0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.41 1u5o h GLN 20 CO 0.00 0.92 -0.31 -0.07 -1.93 0.00 0.00 178.83 177.43 1u5o h LEU 21 N 0.02 0.25 -1.51 -2.39 3.38 -1.42 -2.61 115.31 111.03 1u5o h LEU 21 Ca -0.14 -0.82 0.09 0.00 0.09 0.00 0.00 57.88 57.10 1u5o h LEU 21 Cb 1.90 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.53 1u5o h LEU 21 CO 0.13 1.04 0.44 0.15 0.09 0.00 0.00 178.44 180.29 1u5o h PHE 22 N -0.50 0.59 0.19 1.13 3.04 -1.38 -0.01 116.94 120.00 1u5o h PHE 22 Ca -0.04 0.02 -0.28 0.00 3.98 0.00 0.00 57.97 61.64 1u5o h PHE 22 Cb 1.10 -0.19 0.03 0.00 2.56 0.00 0.00 35.95 39.44 1u5o h PHE 22 CO 0.19 0.29 -1.27 0.00 -2.02 0.00 0.00 178.31 175.49 1u5o h ALA 23 N 1.66 -0.07 -0.77 2.41 0.00 -1.51 -3.42 119.26 117.56 1u5o h ALA 23 Ca 0.30 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1u5o h ALA 23 Cb 0.43 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1u5o h ALA 23 CO -0.10 0.63 0.00 0.09 0.00 0.00 0.00 179.25 179.88 1u5o n ASN 24 N -3.87 0.00 -3.92 0.00 3.02 -0.97 -4.51 115.26 105.01 1u5o n ASN 24 Ca -0.18 0.26 -0.30 0.00 -0.03 0.00 0.00 54.58 54.33 1u5o n ASN 24 Cb 0.98 -0.37 -0.14 0.00 -0.61 0.00 0.00 39.78 39.64 1u5o n ASN 24 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1u5o s ASP 25 N -2.72 4.31 0.43 6.41 -1.08 -0.05 -4.97 116.67 119.01 1u5o s ASP 25 Ca 0.00 -2.70 0.10 0.00 -0.52 0.00 0.00 52.55 49.44 1u5o s ASP 25 Cb 0.00 -1.52 0.94 0.00 -1.46 0.00 0.00 42.92 40.88 1u5o s ASP 25 CO 0.00 -0.28 2.03 0.03 0.52 0.00 0.00 175.17 177.47 1u5o h ARG 26 N 6.86 0.29 0.00 4.34 3.08 -1.79 -2.59 114.38 124.58 1u5o h ARG 26 Ca -0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1u5o h ARG 26 Cb 0.93 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1u5o h ARG 26 CO 0.61 0.27 0.00 0.25 -1.07 0.00 0.00 179.97 180.03 1u5o n THR 27 N -4.42 1.23 -0.33 2.04 -2.24 -1.26 -1.87 114.28 107.43 1u5o n THR 27 Ca 0.00 0.32 0.08 0.00 -2.27 0.00 0.00 64.05 62.18 1u5o n THR 27 Cb 0.14 -1.15 0.22 0.00 -2.10 0.00 0.00 70.33 67.44 1u5o n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u5o n GLN 28 N -1.57 2.92 0.00 -0.78 6.02 -0.97 -4.52 117.38 118.48 1u5o n GLN 28 Ca 0.02 -2.33 0.07 0.00 -0.01 0.00 0.00 57.00 54.75 1u5o n GLN 28 Cb 0.13 -1.44 0.38 0.00 1.02 0.00 0.00 30.24 30.33 1u5o n GLN 28 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1u5o n LEU 29 N 0.76 0.00 0.26 1.08 4.77 -0.78 -2.41 117.00 120.67 1u5o n LEU 29 Ca 0.17 0.14 0.16 0.00 -0.03 0.00 0.00 56.01 56.44 1u5o n LEU 29 Cb 0.55 -0.14 0.54 0.00 -2.33 0.00 0.00 43.42 42.04 1u5o n LEU 29 CO 0.12 -0.08 0.94 1.23 -1.33 0.00 0.00 177.39 178.27 1u5o h GLY 30 N 2.23 0.00 2.00 -0.72 0.00 -1.83 -3.13 103.07 101.62 1u5o h GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u5o h GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1u5o h ALA 31 N 1.99 1.00 -0.23 3.60 0.00 -1.86 -2.19 119.26 121.58 1u5o h ALA 31 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u5o h ALA 31 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1u5o h ALA 31 CO 0.00 -0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 1u5o n ILE 32 N -2.78 1.58 -4.55 0.00 -6.64 -1.18 -5.01 119.36 100.78 1u5o n ILE 32 Ca -0.02 -1.47 -0.25 0.00 -1.77 0.00 0.00 62.75 59.23 1u5o n ILE 32 Cb 0.06 0.14 -0.10 0.00 -1.44 0.00 0.00 39.64 38.29 1u5o n ILE 32 CO 0.00 0.00 0.00 -0.31 -1.77 0.00 0.00 176.55 174.47 1u5o s TYR 33 N -1.89 2.12 0.31 4.28 2.02 -0.82 -0.48 117.35 122.89 1u5o s TYR 33 Ca 0.28 -0.90 0.09 0.00 -0.37 0.00 0.00 57.07 56.17 1u5o s TYR 33 Cb 0.20 -1.47 -0.06 0.00 -0.40 0.00 0.00 41.96 40.23 1u5o s TYR 33 CO 0.10 0.15 -0.10 0.96 -1.57 0.00 0.00 175.55 175.08 1u5o s ILE 34 N -3.04 2.09 0.45 2.71 -4.36 -1.26 -4.88 121.20 112.91 1u5o s ILE 34 Ca 0.31 -2.21 0.18 0.00 -0.26 0.00 0.00 60.65 58.67 1u5o s ILE 34 Cb 0.08 -2.52 0.36 0.00 1.25 0.00 0.00 42.46 41.63 1u5o s ILE 34 CO 0.15 -0.27 1.95 0.44 0.24 0.00 0.00 174.94 177.44 1u5o h ASP 35 N 2.15 0.29 -0.63 4.36 3.45 -1.96 -1.19 116.42 122.88 1u5o h ASP 35 Ca -0.41 0.01 -0.24 0.00 0.43 0.00 0.00 57.03 56.82 1u5o h ASP 35 Cb 1.25 -0.04 -0.14 0.00 -0.56 0.00 0.00 39.33 39.83 1u5o h ASP 35 CO 0.68 0.15 0.30 0.00 -1.57 0.00 0.00 179.24 178.81 1u5o n ALA 36 N -2.55 4.35 -1.80 3.45 0.00 -1.26 -2.03 120.51 120.67 1u5o n ALA 36 Ca 0.12 -1.91 -0.34 0.00 0.00 0.00 0.00 53.44 51.32 1u5o n ALA 36 Cb 0.52 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 1u5o n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1u5o s SER 37 N -0.68 6.51 -0.05 0.00 0.01 -0.45 -4.75 113.70 114.29 1u5o s SER 37 Ca 0.42 1.87 0.03 0.00 1.31 0.00 0.00 55.95 59.59 1u5o s SER 37 Cb 0.35 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 64.02 1u5o s SER 37 CO 0.10 -0.66 -0.14 0.00 0.41 0.00 0.00 173.24 172.94 1u5o s LEU 39 N 0.30 1.97 -0.25 0.00 2.96 -0.90 -1.36 118.68 121.39 1u5o s LEU 39 Ca -0.08 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1u5o s LEU 39 Cb -0.13 -0.89 0.06 0.00 0.50 0.00 0.00 46.19 45.73 1u5o s LEU 39 CO 0.03 0.18 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.24 1u5o s THR 40 N -0.18 2.07 -0.21 3.68 2.01 0.56 -0.33 115.64 123.23 1u5o s THR 40 Ca 0.02 -1.54 -0.03 0.00 0.31 0.00 0.00 61.69 60.45 1u5o s THR 40 Cb -0.09 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 1u5o s THR 40 CO 0.01 -0.01 -0.06 0.86 -0.69 0.00 0.00 174.62 174.73 1u5o s TRP 41 N 1.15 2.93 -1.11 4.92 -0.11 0.14 -0.40 118.94 126.46 1u5o s TRP 41 Ca -0.08 -0.98 -0.09 0.00 1.22 0.00 0.00 56.10 56.17 1u5o s TRP 41 Cb -0.19 -2.07 0.08 0.00 -1.50 0.00 0.00 33.47 29.78 1u5o s TRP 41 CO -0.06 -0.55 0.37 0.39 -4.62 0.00 0.00 176.95 172.48 1u5o n GLU 42 N 4.69 -2.80 0.00 5.86 -0.58 -0.82 0.06 120.64 127.05 1u5o n GLU 42 Ca -0.18 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1u5o n GLU 42 Cb 0.51 -4.98 0.00 0.00 -0.57 0.00 0.00 31.44 26.40 1u5o n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1u5o n GLY 43 N -1.00 2.89 3.77 0.62 0.00 -1.26 -5.04 105.19 105.18 1u5o n GLY 43 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1u5o n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u5o s GLN 44 N -0.64 4.29 -0.17 1.61 -0.21 0.11 -5.05 119.66 119.61 1u5o s GLN 44 Ca 0.00 0.74 -0.08 0.00 0.02 0.00 0.00 55.36 56.04 1u5o s GLN 44 Cb 0.00 -3.32 -0.04 0.00 1.00 0.00 0.00 33.01 30.65 1u5o s GLN 44 CO 0.00 0.43 0.12 -1.14 -2.12 0.00 0.00 175.29 172.57 1u5o s GLN 45 N -0.39 3.87 -0.25 2.91 0.74 -1.26 0.26 119.66 125.54 1u5o s GLN 45 Ca 0.31 -0.22 0.01 0.00 0.05 0.00 0.00 55.36 55.50 1u5o s GLN 45 Cb -0.19 -3.29 0.07 0.00 1.10 0.00 0.00 33.01 30.71 1u5o s GLN 45 CO 0.18 0.46 -0.02 -0.06 -0.55 0.00 0.00 175.29 175.29 1u5o s PHE 46 N -0.12 2.45 -0.14 1.67 0.40 0.55 -5.01 117.98 117.78 1u5o s PHE 46 Ca 0.10 -1.88 -0.17 0.00 -0.60 0.00 0.00 56.93 54.37 1u5o s PHE 46 Cb -0.12 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.63 1u5o s PHE 46 CO 0.00 -0.80 0.43 -0.65 0.70 0.00 0.00 175.22 174.90 1u5o s GLN 47 N 1.37 4.29 0.00 0.44 -0.21 -1.26 -2.13 119.66 122.16 1u5o s GLN 47 Ca -0.02 0.34 0.00 0.00 0.02 0.00 0.00 55.36 55.70 1u5o s GLN 47 Cb -0.19 -3.45 0.00 0.00 1.00 0.00 0.00 33.01 30.37 1u5o s GLN 47 CO -0.09 0.13 0.00 0.41 -2.12 0.00 0.00 175.29 173.62 1u5o n GLY 48 N 3.42 0.55 0.32 3.09 0.00 0.13 -4.36 105.19 108.33 1u5o n GLY 48 Ca -0.08 -1.55 0.06 0.00 0.00 0.00 0.00 46.02 44.45 1u5o n GLY 48 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1u5o h LYS 49 N 0.00 0.72 0.23 1.61 3.64 -1.49 -1.92 116.57 119.36 1u5o h LYS 49 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1u5o h LYS 49 Cb 0.00 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1u5o h LYS 49 CO 0.00 0.48 -0.20 0.00 -2.27 0.00 0.00 179.45 177.46 1u5o h ALA 50 N 1.52 -0.42 0.66 5.00 0.00 -1.86 -1.90 119.26 122.25 1u5o h ALA 50 Ca 0.45 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1u5o h ALA 50 Cb 0.53 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1u5o h ALA 50 CO -0.31 -0.76 -0.40 0.00 0.00 0.00 0.00 179.25 177.79 1u5o h ALA 51 N 0.28 -1.02 -0.49 0.00 0.00 -1.69 -2.65 119.26 113.69 1u5o h ALA 51 Ca -0.01 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.79 1u5o h ALA 51 Cb 0.40 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 18.58 1u5o h ALA 51 CO -0.03 -1.09 -0.31 0.82 0.00 0.00 0.00 179.25 178.64 1u5o h ILE 52 N -1.00 0.22 -0.53 0.00 2.04 -1.33 -0.06 117.51 116.85 1u5o h ILE 52 Ca -0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1u5o h ILE 52 Cb 0.80 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1u5o h ILE 52 CO 0.09 0.00 0.29 0.58 0.00 0.00 0.00 178.15 179.11 1u5o h VAL 53 N -0.20 1.18 -0.26 1.67 2.07 -1.38 -1.94 116.25 117.39 1u5o h VAL 53 Ca 0.20 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1u5o h VAL 53 Cb 0.53 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1u5o h VAL 53 CO -0.60 0.20 0.15 -0.08 0.02 0.00 0.00 177.57 177.25 1u5o h GLU 54 N 0.72 0.35 0.13 1.57 4.57 -0.97 0.38 114.58 121.33 1u5o h GLU 54 Ca 0.19 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1u5o h GLU 54 Cb 0.05 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1u5o h GLU 54 CO -0.03 0.25 -0.06 -0.22 -1.18 0.00 0.00 179.01 177.77 1u5o h LYS 55 N 0.35 -0.17 -0.24 1.92 1.63 -0.50 -2.66 116.57 116.90 1u5o h LYS 55 Ca 0.09 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.88 1u5o h LYS 55 Cb 0.00 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1u5o h LYS 55 CO -0.02 0.25 0.05 -0.07 -3.45 0.00 0.00 179.45 176.21 1u5o h LEU 56 N -0.67 0.37 -1.66 5.20 3.38 -1.13 -3.07 115.31 117.73 1u5o h LEU 56 Ca -0.02 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.77 1u5o h LEU 56 Cb 0.50 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1u5o h LEU 56 CO 0.03 0.53 0.34 0.28 0.09 0.00 0.00 178.44 179.71 1u5o h SER 57 N 0.20 0.37 -0.19 -0.43 0.02 -0.32 -2.90 113.55 110.29 1u5o h SER 57 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1u5o h SER 57 Cb 0.31 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1u5o h SER 57 CO 0.00 0.24 0.00 -1.54 -1.14 0.00 0.00 176.83 174.39 1u5o n SER 58 N -4.47 2.63 -4.61 3.07 3.41 -1.00 -4.91 113.62 107.73 1u5o n SER 58 Ca 0.07 -1.86 -0.47 0.00 -0.26 0.00 0.00 58.87 56.35 1u5o n SER 58 Cb 0.27 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 1u5o n SER 58 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1u5o n LEU 59 N 0.98 2.11 -3.22 1.04 4.77 -1.10 -4.72 117.00 116.86 1u5o n LEU 59 Ca 0.17 1.15 -0.20 0.00 -0.03 0.00 0.00 56.01 57.10 1u5o n LEU 59 Cb 0.50 -1.30 -0.04 0.00 -2.33 0.00 0.00 43.42 40.25 1u5o n LEU 59 CO 0.15 -1.02 1.42 -0.81 -1.33 0.00 0.00 177.39 175.80 1u5o n PRO 60 N 1.77 0.42 -3.59 3.23 -0.04 -1.26 -4.81 135.00 130.72 1u5o n PRO 60 Ca 0.13 -0.90 -0.08 0.00 -0.04 0.00 0.00 63.50 62.61 1u5o n PRO 60 Cb 0.28 -2.29 -0.05 0.00 -0.04 0.00 0.00 33.50 31.40 1u5o n PRO 60 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1u5o s PHE 61 N 5.37 -0.29 0.12 0.54 -0.12 -1.26 -5.04 117.98 117.29 1u5o s PHE 61 Ca 0.31 0.48 -0.04 0.00 -0.05 0.00 0.00 56.93 57.63 1u5o s PHE 61 Cb 0.07 0.46 -0.14 0.00 -0.63 0.00 0.00 43.02 42.78 1u5o s PHE 61 CO 0.11 -0.27 1.26 1.96 -0.05 0.00 0.00 175.22 178.23 1u5o h GLN 62 N 2.42 0.37 -2.98 1.99 4.20 -1.98 -3.46 115.11 115.67 1u5o h GLN 62 Ca -0.16 -0.45 -0.16 0.00 0.06 0.00 0.00 58.65 57.95 1u5o h GLN 62 Cb 1.17 0.14 -0.27 0.00 0.30 0.00 0.00 27.48 28.82 1u5o h GLN 62 CO 0.29 1.13 -0.40 0.15 -0.67 0.00 0.00 178.83 179.33 1u5o s LYS 63 N -3.11 0.31 -0.10 1.46 1.02 -1.26 -5.05 119.74 113.02 1u5o s LYS 63 Ca -0.05 0.49 0.00 0.00 0.02 0.00 0.00 55.97 56.43 1u5o s LYS 63 Cb 0.08 0.06 0.02 0.00 -0.52 0.00 0.00 37.83 37.48 1u5o s LYS 63 CO 0.87 -0.09 -0.08 -1.50 -0.92 0.00 0.00 175.35 173.63 1u5o s ILE 64 N 0.62 1.00 0.16 2.17 1.10 -1.26 -1.52 121.20 123.47 1u5o s ILE 64 Ca -0.04 -0.31 0.01 0.00 -0.51 0.00 0.00 60.65 59.81 1u5o s ILE 64 Cb -0.05 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.52 1u5o s ILE 64 CO -0.04 0.35 0.32 -1.10 -2.11 0.00 0.00 174.94 172.37 1u5o s GLN 65 N 1.46 3.47 -0.03 3.50 -0.21 -1.02 -4.18 119.66 122.65 1u5o s GLN 65 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 55.36 54.90 1u5o s GLN 65 Cb -0.13 -2.92 0.03 0.00 1.00 0.00 0.00 33.01 30.98 1u5o s GLN 65 CO -0.05 0.48 -0.01 -1.01 -2.12 0.00 0.00 175.29 172.58 1u5o s HIS 66 N -1.77 0.42 -0.12 0.91 3.76 -1.26 -2.32 115.29 114.91 1u5o s HIS 66 Ca 0.36 -0.05 0.02 0.00 -0.15 0.00 0.00 55.06 55.24 1u5o s HIS 66 Cb -0.11 -0.48 0.01 0.00 1.11 0.00 0.00 32.58 33.11 1u5o s HIS 66 CO 0.29 -0.15 -0.18 0.45 -0.85 0.00 0.00 174.74 174.29 1u5o s SER 67 N 1.04 2.73 -0.16 1.40 0.15 0.20 -4.98 113.70 114.09 1u5o s SER 67 Ca -0.09 -0.50 -0.24 0.00 0.70 0.00 0.00 55.95 55.81 1u5o s SER 67 Cb -0.14 -1.24 -0.02 0.00 -1.71 0.00 0.00 66.02 62.91 1u5o s SER 67 CO -0.01 0.04 0.75 -0.63 1.20 0.00 0.00 173.24 174.59 1u5o s ILE 68 N 0.91 4.95 -0.17 6.45 1.01 -1.26 0.42 121.20 133.51 1u5o s ILE 68 Ca -0.07 1.47 0.19 0.00 0.00 0.00 0.00 60.65 62.24 1u5o s ILE 68 Cb -0.15 -4.06 -0.08 0.00 0.01 0.00 0.00 42.46 38.18 1u5o s ILE 68 CO -0.02 0.09 0.92 0.41 0.00 0.00 0.00 174.94 176.35 1u5o n THR 69 N 4.56 0.95 -3.62 2.92 -1.04 0.11 -4.95 114.28 113.22 1u5o n THR 69 Ca 0.02 -0.63 -0.08 0.00 -2.04 0.00 0.00 64.05 61.32 1u5o n THR 69 Cb 0.49 -0.57 -0.06 0.00 -1.82 0.00 0.00 70.33 68.37 1u5o n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1u5o s ALA 70 N -3.11 -2.01 -0.05 2.41 0.00 -0.91 -5.02 121.76 113.07 1u5o s ALA 70 Ca -0.02 1.73 -0.02 0.00 0.00 0.00 0.00 51.96 53.65 1u5o s ALA 70 Cb 0.09 -1.20 0.04 0.00 0.00 0.00 0.00 23.12 22.04 1u5o s ALA 70 CO 0.80 -0.25 0.11 1.14 0.00 0.00 0.00 175.76 177.56 1u5o s GLN 71 N -0.51 0.03 -0.02 0.00 -2.07 -1.26 -1.97 119.66 113.85 1u5o s GLN 71 Ca 0.03 0.36 0.05 0.00 -1.82 0.00 0.00 55.36 53.97 1u5o s GLN 71 Cb -0.03 -0.24 -0.03 0.00 -1.09 0.00 0.00 33.01 31.62 1u5o s GLN 71 CO -0.05 -0.21 -0.15 -0.51 -1.32 0.00 0.00 175.29 173.06 1u5o s ASP 72 N 1.43 3.98 0.18 12.60 1.01 -0.47 -4.99 116.67 130.41 1u5o s ASP 72 Ca -0.06 -0.27 0.06 0.00 0.71 0.00 0.00 52.55 53.00 1u5o s ASP 72 Cb -0.12 -0.78 -0.05 0.00 1.01 0.00 0.00 42.92 42.98 1u5o s ASP 72 CO -0.05 0.31 -0.12 -1.00 0.21 0.00 0.00 175.17 174.53 1u5o s HIS 73 N -0.81 1.49 -0.24 4.23 3.76 -1.26 -1.05 115.29 121.41 1u5o s HIS 73 Ca 0.13 -0.67 -0.26 0.00 -0.15 0.00 0.00 55.06 54.10 1u5o s HIS 73 Cb -0.11 -0.72 0.10 0.00 1.11 0.00 0.00 32.58 32.96 1u5o s HIS 73 CO 0.02 0.21 0.88 -1.14 -0.85 0.00 0.00 174.74 173.87 1u5o s GLN 74 N -3.70 0.69 0.22 1.40 0.74 -0.80 -4.92 119.66 113.29 1u5o s GLN 74 Ca 0.20 0.64 -0.03 0.00 0.05 0.00 0.00 55.36 56.22 1u5o s GLN 74 Cb 0.01 0.34 -0.05 0.00 1.10 0.00 0.00 33.01 34.41 1u5o s GLN 74 CO 0.04 -0.12 0.44 -1.25 -0.55 0.00 0.00 175.29 173.85 1u5o s PRO 75 N -0.04 3.58 0.26 1.67 0.04 -1.26 -0.91 135.00 138.33 1u5o s PRO 75 Ca -0.00 -0.18 0.11 0.00 0.04 0.00 0.00 61.00 60.98 1u5o s PRO 75 Cb -0.04 -2.78 -0.05 0.00 0.04 0.00 0.00 34.50 31.68 1u5o s PRO 75 CO -0.01 0.36 -0.16 0.95 0.04 0.00 0.00 177.00 178.17 1u5o s THR 76 N -1.89 2.69 0.35 1.26 -4.23 -0.63 -4.94 115.64 108.25 1u5o s THR 76 Ca 0.41 -2.24 0.10 0.00 -1.18 0.00 0.00 61.69 58.79 1u5o s THR 76 Cb -0.11 -2.40 0.33 0.00 1.34 0.00 0.00 72.50 71.66 1u5o s THR 76 CO 0.28 -0.35 1.82 -0.65 -0.54 0.00 0.00 174.62 175.18 1u5o h PRO 77 N 2.32 0.62 -1.27 3.99 0.11 -1.99 -2.68 132.00 133.10 1u5o h PRO 77 Ca -0.42 -0.04 -0.51 0.00 0.11 0.00 0.00 66.00 65.14 1u5o h PRO 77 Cb 1.25 -0.14 -0.22 0.00 0.11 0.00 0.00 31.00 32.00 1u5o h PRO 77 CO 0.58 0.41 0.66 -0.25 -0.21 0.00 0.00 178.00 179.19 1u5o n ASP 78 N -4.63 7.12 -1.82 -2.05 8.00 -1.26 -4.89 116.55 117.01 1u5o n ASP 78 Ca 0.21 -3.44 -0.18 0.00 0.71 0.00 0.00 54.79 52.09 1u5o n ASP 78 Cb 0.60 -1.02 -0.03 0.00 -0.02 0.00 0.00 41.12 40.65 1u5o n ASP 78 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1u5o n SER 79 N -0.30 -5.25 -4.89 -2.24 7.64 -1.01 -5.02 113.62 102.55 1u5o n SER 79 Ca 0.47 0.16 -0.24 0.00 1.01 0.00 0.00 58.87 60.27 1u5o n SER 79 Cb 0.62 -4.32 -0.01 0.00 -1.01 0.00 0.00 64.21 59.48 1u5o n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u5o s ILE 81 N -2.68 0.15 -0.21 0.00 1.01 -0.81 -1.61 121.20 117.05 1u5o s ILE 81 Ca 0.40 0.06 -0.07 0.00 0.00 0.00 0.00 60.65 61.04 1u5o s ILE 81 Cb -0.02 -0.23 -0.03 0.00 0.01 0.00 0.00 42.46 42.19 1u5o s ILE 81 CO 0.24 0.12 0.06 -0.63 0.00 0.00 0.00 174.94 174.73 1u5o s ILE 82 N 0.81 4.48 -0.15 2.92 1.01 -0.09 0.04 121.20 130.22 1u5o s ILE 82 Ca -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1u5o s ILE 82 Cb -0.11 -3.05 -0.00 0.00 0.01 0.00 0.00 42.46 39.30 1u5o s ILE 82 CO -0.02 0.40 -0.15 -0.44 0.00 0.00 0.00 174.94 174.73 1u5o s SER 83 N 1.00 3.70 -0.10 3.58 0.01 0.56 -1.90 113.70 120.56 1u5o s SER 83 Ca 0.04 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 56.86 1u5o s SER 83 Cb -0.14 -1.57 0.02 0.00 0.21 0.00 0.00 66.02 64.54 1u5o s SER 83 CO 0.03 0.09 -0.13 -0.32 0.41 0.00 0.00 173.24 173.32 1u5o s MET 84 N 0.78 1.96 0.19 12.44 0.00 -0.22 -0.25 119.30 134.20 1u5o s MET 84 Ca -0.06 -0.47 0.09 0.00 0.00 0.00 0.00 55.69 55.25 1u5o s MET 84 Cb -0.15 -1.71 -0.04 0.00 0.00 0.00 0.00 34.83 32.93 1u5o s MET 84 CO 0.01 -0.07 -0.10 0.08 0.00 0.00 0.00 175.02 174.93 1u5o s VAL 85 N 1.01 3.14 -0.07 10.11 1.01 0.11 -1.37 120.40 134.34 1u5o s VAL 85 Ca -0.07 -1.72 -0.03 0.00 0.00 0.00 0.00 61.98 60.16 1u5o s VAL 85 Cb -0.15 -2.56 0.04 0.00 0.00 0.00 0.00 36.38 33.71 1u5o s VAL 85 CO -0.01 -0.14 0.15 0.54 0.00 0.00 0.00 175.10 175.64 1u5o s VAL 86 N -1.77 -0.12 0.00 2.92 0.11 -0.83 -1.94 120.40 118.77 1u5o s VAL 86 Ca 0.25 0.24 0.00 0.00 -2.93 0.00 0.00 61.98 59.54 1u5o s VAL 86 Cb -0.08 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 1u5o s VAL 86 CO 0.15 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 1u5o n GLY 87 N 4.59 1.95 3.28 6.54 0.00 -1.06 0.08 105.19 120.58 1u5o n GLY 87 Ca -0.19 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 1u5o n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u5o s GLN 88 N 1.27 1.12 0.04 1.61 -0.21 0.17 -1.86 119.66 121.81 1u5o s GLN 88 Ca 0.00 -1.22 -0.04 0.00 0.02 0.00 0.00 55.36 54.12 1u5o s GLN 88 Cb 0.00 -1.26 -0.02 0.00 1.00 0.00 0.00 33.01 32.73 1u5o s GLN 88 CO 0.00 0.28 0.06 -0.48 -2.12 0.00 0.00 175.29 173.03 1u5o s LEU 89 N -2.16 1.98 -0.14 2.90 0.05 -0.50 0.62 118.68 121.43 1u5o s LEU 89 Ca 0.08 -0.65 -0.04 0.00 0.05 0.00 0.00 54.13 53.58 1u5o s LEU 89 Cb -0.08 0.49 0.06 0.00 -2.05 0.00 0.00 46.19 44.61 1u5o s LEU 89 CO 0.05 -0.53 0.17 -0.75 -0.55 0.00 0.00 176.35 174.74 1u5o s LYS 90 N -2.90 0.09 -0.27 1.48 2.20 -0.98 -1.36 119.74 117.99 1u5o s LYS 90 Ca -0.02 0.33 -0.20 0.00 -0.36 0.00 0.00 55.97 55.71 1u5o s LYS 90 Cb 0.01 -0.85 -0.02 0.00 -1.51 0.00 0.00 37.83 35.46 1u5o s LYS 90 CO -0.06 -0.49 0.63 0.00 -0.36 0.00 0.00 175.35 175.08 1u5o s ALA 91 N 2.28 3.59 0.00 3.13 0.00 -1.26 -2.44 121.76 127.05 1u5o s ALA 91 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1u5o s ALA 91 Cb -0.14 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1u5o s ALA 91 CO -0.08 -0.90 0.00 -0.25 0.00 0.00 0.00 175.76 174.53 1u5o n ASP 92 N 5.78 0.00 -0.53 0.00 8.00 -0.58 0.12 116.55 129.33 1u5o n ASP 92 Ca -0.01 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1u5o n ASP 92 Cb 0.49 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.80 1u5o n ASP 92 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1u5o n GLU 93 N 11.39 1.45 -1.20 -1.24 -0.58 -1.26 -4.95 120.64 124.24 1u5o n GLU 93 Ca 0.00 -1.08 -0.34 0.00 -0.42 0.00 0.00 57.16 55.32 1u5o n GLU 93 Cb 0.00 -1.48 0.12 0.00 -0.57 0.00 0.00 31.44 29.51 1u5o n GLU 93 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1u5o n ASP 94 N 0.16 0.99 -4.76 1.62 9.92 0.12 -4.95 116.55 119.65 1u5o n ASP 94 Ca 0.13 0.62 -0.35 0.00 -0.53 0.00 0.00 54.79 54.65 1u5o n ASP 94 Cb 0.45 -1.49 0.04 0.00 -0.64 0.00 0.00 41.12 39.47 1u5o n ASP 94 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1u5o s PRO 95 N -3.91 2.90 0.28 -0.24 0.04 -1.26 -4.43 135.00 128.38 1u5o s PRO 95 Ca 0.74 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 63.18 1u5o s PRO 95 Cb -0.31 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 1u5o s PRO 95 CO 0.50 -1.23 1.44 0.42 0.04 0.00 0.00 177.00 178.17 1u5o s ILE 96 N -1.81 2.55 0.06 0.56 1.01 -1.26 -4.68 121.20 117.63 1u5o s ILE 96 Ca 0.74 0.48 0.05 0.00 0.00 0.00 0.00 60.65 61.93 1u5o s ILE 96 Cb -0.27 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 1u5o s ILE 96 CO 0.35 0.09 -0.15 -0.04 0.00 0.00 0.00 174.94 175.18 1u5o s MET 97 N -0.78 0.91 0.56 2.79 -1.94 -0.47 -4.98 119.30 115.40 1u5o s MET 97 Ca 0.57 -0.92 -0.08 0.00 -1.71 0.00 0.00 55.69 53.56 1u5o s MET 97 Cb -0.43 -0.96 -0.03 0.00 2.01 0.00 0.00 34.83 35.42 1u5o s MET 97 CO 0.47 0.22 0.92 0.20 -0.01 0.00 0.00 175.02 176.83 1u5o s GLY 98 N -1.54 1.59 0.24 -0.03 0.00 -1.26 -1.41 107.32 104.91 1u5o s GLY 98 Ca 0.01 -0.31 -0.21 0.00 0.00 0.00 0.00 44.72 44.21 1u5o s GLY 98 CO 0.02 -0.08 0.67 -0.11 0.00 0.00 0.00 173.10 173.60 1u5o s PHE 99 N -3.00 -0.26 0.03 1.90 -0.12 -0.78 0.15 117.98 115.90 1u5o s PHE 99 Ca 0.52 -0.12 0.03 0.00 -0.05 0.00 0.00 56.93 57.31 1u5o s PHE 99 Cb -0.11 0.64 -0.02 0.00 -0.63 0.00 0.00 43.02 42.91 1u5o s PHE 99 CO 0.50 -1.11 -0.10 -1.01 -0.05 0.00 0.00 175.22 173.45 1u5o s HIS 100 N -3.87 0.84 -0.18 3.49 3.76 0.94 -2.57 115.29 117.70 1u5o s HIS 100 Ca 0.09 -0.32 -0.13 0.00 -0.15 0.00 0.00 55.06 54.54 1u5o s HIS 100 Cb -0.04 -0.51 0.05 0.00 1.11 0.00 0.00 32.58 33.19 1u5o s HIS 100 CO 0.01 -0.02 0.46 -1.14 -0.85 0.00 0.00 174.74 173.21 1u5o s GLN 101 N -0.97 0.50 0.01 1.40 0.74 -0.82 -0.93 119.66 119.59 1u5o s GLN 101 Ca -0.02 0.76 0.05 0.00 0.05 0.00 0.00 55.36 56.20 1u5o s GLN 101 Cb -0.07 0.13 -0.02 0.00 1.10 0.00 0.00 33.01 34.16 1u5o s GLN 101 CO 0.01 -0.11 -0.16 1.41 -0.55 0.00 0.00 175.29 175.88 1u5o s MET 102 N 0.85 1.23 -0.03 1.67 -2.45 -0.48 0.09 119.30 120.17 1u5o s MET 102 Ca -0.05 -0.66 0.03 0.00 -1.25 0.00 0.00 55.69 53.77 1u5o s MET 102 Cb -0.06 -1.22 -0.00 0.00 1.25 0.00 0.00 34.83 34.80 1u5o s MET 102 CO -0.07 0.33 -0.13 -0.06 1.05 0.00 0.00 175.02 176.14 1u5o s PHE 103 N -0.53 1.27 -0.25 4.11 0.08 0.66 -1.67 117.98 121.65 1u5o s PHE 103 Ca 0.05 -0.33 -0.05 0.00 0.12 0.00 0.00 56.93 56.72 1u5o s PHE 103 Cb -0.07 -0.88 -0.00 0.00 -0.57 0.00 0.00 43.02 41.51 1u5o s PHE 103 CO 0.00 -0.12 -0.00 -1.17 -0.10 0.00 0.00 175.22 173.83 1u5o s LEU 104 N 0.09 3.24 0.13 -0.37 2.96 0.18 -0.32 118.68 124.59 1u5o s LEU 104 Ca -0.03 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.40 1u5o s LEU 104 Cb -0.09 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1u5o s LEU 104 CO 0.01 -0.08 0.11 -0.76 -1.32 0.00 0.00 176.35 174.31 1u5o s LEU 105 N 1.47 3.78 0.03 -0.68 1.43 0.11 -1.28 118.68 123.55 1u5o s LEU 105 Ca 0.04 -0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 52.96 1u5o s LEU 105 Cb -0.15 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.64 1u5o s LEU 105 CO -0.01 0.11 0.19 -0.75 0.23 0.00 0.00 176.35 176.12 1u5o s LYS 106 N -2.80 0.65 -0.50 1.70 2.20 -0.54 -1.92 119.74 118.54 1u5o s LYS 106 Ca 0.30 -0.57 -0.16 0.00 -0.36 0.00 0.00 55.97 55.18 1u5o s LYS 106 Cb -0.11 0.27 0.09 0.00 -1.51 0.00 0.00 37.83 36.57 1u5o s LYS 106 CO 0.23 -0.18 0.44 1.21 -0.36 0.00 0.00 175.35 176.68 1u5o s ASN 107 N -1.92 6.16 -0.10 1.43 3.84 -1.26 -0.70 114.94 122.39 1u5o s ASN 107 Ca -0.07 -1.47 0.03 0.00 0.21 0.00 0.00 52.86 51.55 1u5o s ASN 107 Cb -0.02 -2.20 0.01 0.00 -0.55 0.00 0.00 41.25 38.49 1u5o s ASN 107 CO -0.02 -0.73 -0.18 -0.63 -2.79 0.00 0.00 177.10 172.74 1u5o s ILE 108 N 1.67 1.68 -0.84 -5.21 1.01 -0.52 -4.63 121.20 114.36 1u5o s ILE 108 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1u5o s ILE 108 Cb -0.26 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.71 1u5o s ILE 108 CO 0.06 0.48 0.00 0.59 0.00 0.00 0.00 174.94 176.06 1u5o n ASN 109 N 3.93 -3.54 -2.80 3.58 5.03 -1.26 -3.58 115.26 116.62 1u5o n ASN 109 Ca -0.20 0.10 -0.11 0.00 0.87 0.00 0.00 54.58 55.23 1u5o n ASN 109 Cb 0.52 -2.37 0.05 0.00 -1.02 0.00 0.00 39.78 36.96 1u5o n ASN 109 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1u5o n ASP 110 N 0.42 -5.23 -3.64 6.41 2.03 -1.26 -5.04 116.55 110.24 1u5o n ASP 110 Ca -0.10 -0.52 -0.05 0.00 0.52 0.00 0.00 54.79 54.64 1u5o n ASP 110 Cb 0.45 -4.00 -0.07 0.00 -0.72 0.00 0.00 41.12 36.78 1u5o n ASP 110 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u5o s ALA 111 N -3.29 -2.15 -0.05 -1.67 0.00 -1.23 -5.14 121.76 108.23 1u5o s ALA 111 Ca 0.32 1.74 -0.27 0.00 0.00 0.00 0.00 51.96 53.74 1u5o s ALA 111 Cb -0.04 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 1u5o s ALA 111 CO 0.55 -0.14 0.86 -1.58 0.00 0.00 0.00 175.76 175.44 1u5o s TRP 112 N -0.00 3.60 0.07 0.00 0.52 -1.26 -1.44 118.94 120.42 1u5o s TRP 112 Ca 0.06 1.48 0.02 0.00 0.02 0.00 0.00 56.10 57.68 1u5o s TRP 112 Cb -0.05 -2.99 -0.03 0.00 -1.15 0.00 0.00 33.47 29.25 1u5o s TRP 112 CO -0.13 -0.01 -0.07 0.14 0.02 0.00 0.00 176.95 176.91 1u5o s VAL 113 N 1.09 0.59 -0.21 4.03 -7.23 0.12 -4.95 120.40 113.84 1u5o s VAL 113 Ca 0.45 -1.49 -0.21 0.00 -1.81 0.00 0.00 61.98 58.92 1u5o s VAL 113 Cb -0.19 -1.12 -0.02 0.00 0.56 0.00 0.00 36.38 35.61 1u5o s VAL 113 CO 0.22 -0.63 0.64 0.00 -0.31 0.00 0.00 175.10 175.02 1u5o n THR 115 N 4.79 1.40 -4.55 0.00 -2.24 -0.40 -4.09 114.28 109.19 1u5o n THR 115 Ca -0.01 -0.82 -0.24 0.00 -2.27 0.00 0.00 64.05 60.71 1u5o n THR 115 Cb 0.50 -0.58 -0.16 0.00 -2.10 0.00 0.00 70.33 67.98 1u5o n THR 115 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1u5o s ASN 116 N -5.62 1.66 -0.04 3.42 0.01 -1.19 -1.02 114.94 112.18 1u5o s ASN 116 Ca -0.13 -0.27 -0.01 0.00 -0.71 0.00 0.00 52.86 51.73 1u5o s ASN 116 Cb 0.06 -0.72 0.03 0.00 0.41 0.00 0.00 41.25 41.03 1u5o s ASN 116 CO 0.80 0.04 0.06 -0.62 -1.51 0.00 0.00 177.10 175.86 1u5o s ASP 117 N 0.59 0.73 -0.08 -1.22 -1.08 -0.46 -0.65 116.67 114.50 1u5o s ASP 117 Ca -0.12 0.08 0.03 0.00 -0.52 0.00 0.00 52.55 52.02 1u5o s ASP 117 Cb -0.15 -0.09 0.01 0.00 -1.46 0.00 0.00 42.92 41.23 1u5o s ASP 117 CO 0.03 -0.21 -0.17 -0.04 0.52 0.00 0.00 175.17 175.30 1u5o s MET 118 N 1.78 2.23 -0.01 4.34 -1.94 -0.67 -0.32 119.30 124.70 1u5o s MET 118 Ca -0.00 -0.61 0.05 0.00 -1.71 0.00 0.00 55.69 53.42 1u5o s MET 118 Cb -0.12 -1.76 -0.01 0.00 2.01 0.00 0.00 34.83 34.94 1u5o s MET 118 CO -0.03 0.11 -0.17 0.12 -0.01 0.00 0.00 175.02 175.04 1u5o s PHE 119 N 0.48 1.52 -0.03 -0.03 5.36 0.46 -1.38 117.98 124.36 1u5o s PHE 119 Ca -0.15 -0.30 -0.02 0.00 -0.96 0.00 0.00 56.93 55.50 1u5o s PHE 119 Cb -0.16 -0.98 0.02 0.00 -0.34 0.00 0.00 43.02 41.56 1u5o s PHE 119 CO 0.06 -0.03 0.07 1.03 -1.46 0.00 0.00 175.22 174.89 1u5o s ARG 120 N -0.37 0.05 0.37 10.12 1.81 -0.10 -1.94 118.95 128.89 1u5o s ARG 120 Ca 0.06 0.19 -0.19 0.00 -1.72 0.00 0.00 55.73 54.06 1u5o s ARG 120 Cb -0.07 -0.10 -0.10 0.00 -0.45 0.00 0.00 34.95 34.23 1u5o s ARG 120 CO -0.00 -0.09 0.86 -0.51 -0.68 0.00 0.00 175.30 174.88 1u5o s LEU 121 N 0.61 4.05 0.11 2.53 1.43 -1.26 -0.04 118.68 126.11 1u5o s LEU 121 Ca -0.05 1.55 -0.20 0.00 -1.03 0.00 0.00 54.13 54.40 1u5o s LEU 121 Cb -0.07 -4.26 -0.07 0.00 0.03 0.00 0.00 46.19 41.82 1u5o s LEU 121 CO -0.02 -0.25 0.62 0.00 0.23 0.00 0.00 176.35 176.93 1u5o s ALA 122 N -2.01 3.54 -0.68 4.21 0.00 0.40 -4.85 121.76 122.38 1u5o s ALA 122 Ca 0.57 0.09 -0.15 0.00 0.00 0.00 0.00 51.96 52.47 1u5o s ALA 122 Cb -0.11 -2.70 0.17 0.00 0.00 0.00 0.00 23.12 20.48 1u5o s ALA 122 CO 0.16 0.38 0.63 -0.51 0.00 0.00 0.00 175.76 176.42 1u5o s LEU 123 N -1.30 6.46 0.00 0.00 1.43 -1.26 -4.52 118.68 119.50 1u5o s LEU 123 Ca 0.33 -2.23 0.00 0.00 -1.03 0.00 0.00 54.13 51.20 1u5o s LEU 123 Cb -0.19 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1u5o s LEU 123 CO 0.21 -0.72 0.36 1.57 0.23 0.00 0.00 176.35 178.00