#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u5o n ASP 3 N 0.00 0.00 -4.64 1.61 2.03 -1.26 -5.08 116.55 109.21 1u5o n ASP 3 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1u5o n ASP 3 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1u5o n ASP 3 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1u5o s LYS 4 N 0.00 3.94 0.34 -0.67 2.20 -1.26 -4.95 119.74 119.35 1u5o s LYS 4 Ca 0.00 1.51 -0.24 0.00 -0.36 0.00 0.00 55.97 56.88 1u5o s LYS 4 Cb 0.00 -3.92 -0.15 0.00 -1.51 0.00 0.00 37.83 32.26 1u5o s LYS 4 CO 0.00 -1.10 0.50 -2.30 -0.36 0.00 0.00 175.35 172.10 1u5o n PRO 5 N 7.31 0.41 -0.35 4.03 -0.02 -1.26 -4.79 135.00 140.33 1u5o n PRO 5 Ca 0.16 0.15 -0.02 0.00 -2.02 0.00 0.00 63.50 61.77 1u5o n PRO 5 Cb 0.46 -1.32 0.13 0.00 -0.02 0.00 0.00 33.50 32.75 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 0.91 1.25 0.00 4.25 2.10 -2.00 -2.08 117.51 121.94 1u5o h ILE 6 Ca -0.36 -0.46 -0.01 0.00 1.08 0.00 0.00 64.86 65.11 1u5o h ILE 6 Cb 1.41 -0.16 -0.00 0.00 -1.09 0.00 0.00 36.82 36.98 1u5o h ILE 6 CO 0.53 0.24 -0.03 4.11 -1.08 0.00 0.00 178.15 181.92 1u5o h TRP 7 N 1.30 0.00 0.00 2.19 0.09 -1.97 0.57 115.95 118.13 1u5o h TRP 7 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.33 1u5o h TRP 7 Cb -0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.10 1u5o h TRP 7 CO 0.00 0.03 -0.79 0.93 0.09 0.00 0.00 178.44 178.70 1u5o h GLU 8 N 0.00 0.00 0.07 0.12 5.08 -1.72 -1.95 114.58 116.18 1u5o h GLU 8 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1u5o h GLU 8 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1u5o h GLU 8 CO 0.00 0.00 -1.00 1.96 -1.00 0.00 0.00 179.01 178.98 1u5o h GLN 9 N 0.00 0.14 -0.29 2.33 4.20 -0.83 -3.19 115.11 117.46 1u5o h GLN 9 Ca 0.00 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 1u5o h GLN 9 Cb 0.95 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 1u5o h GLN 9 CO 0.00 1.11 0.09 0.82 -0.67 0.00 0.00 178.83 180.18 1u5o h ILE 10 N -0.63 1.20 0.73 2.54 1.08 -1.06 -2.62 117.51 118.76 1u5o h ILE 10 Ca -0.23 -0.64 -0.04 0.00 -0.39 0.00 0.00 64.86 63.57 1u5o h ILE 10 Cb 1.47 1.08 0.00 0.00 -3.07 0.00 0.00 36.82 36.31 1u5o h ILE 10 CO -0.01 0.21 -0.38 1.23 -0.69 0.00 0.00 178.15 178.52 1u5o h GLY 11 N 0.30 -1.10 1.09 5.37 0.00 -1.51 -0.53 103.07 106.69 1u5o h GLY 11 Ca 0.09 0.42 0.13 0.00 0.00 0.00 0.00 47.33 47.97 1u5o h GLY 11 CO -0.00 -0.39 0.33 1.48 0.00 0.00 0.00 176.54 177.95 1u5o h SER 12 N -1.02 0.01 0.78 0.19 4.64 -1.65 0.28 113.55 116.78 1u5o h SER 12 Ca -0.10 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.12 1u5o h SER 12 Cb 0.79 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 1u5o h SER 12 CO 0.15 0.01 -0.46 -1.28 -0.87 0.00 0.00 176.83 174.38 1u5o h SER 13 N 0.01 0.00 0.01 4.97 0.87 -1.16 -1.03 113.55 117.22 1u5o h SER 13 Ca 0.22 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1u5o h SER 13 Cb 0.86 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1u5o h SER 13 CO -0.00 0.46 -0.08 0.15 -0.53 0.00 0.00 176.83 176.82 1u5o h PHE 14 N 0.00 0.07 -0.35 2.24 3.57 0.11 -2.82 116.94 119.77 1u5o h PHE 14 Ca -0.00 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.53 1u5o h PHE 14 Cb 0.97 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.62 1u5o h PHE 14 CO 0.00 0.93 -0.19 0.82 -2.23 0.00 0.00 178.31 177.64 1u5o h ILE 15 N -0.81 0.44 0.03 1.41 1.08 -1.05 0.54 117.51 119.16 1u5o h ILE 15 Ca -0.01 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 1u5o h ILE 15 Cb 0.96 0.44 -0.05 0.00 -3.07 0.00 0.00 36.82 35.10 1u5o h ILE 15 CO 0.02 0.00 -0.36 -0.61 -0.69 0.00 0.00 178.15 176.51 1u5o h GLN 16 N -0.14 -0.51 -0.29 2.37 5.75 -1.29 -1.83 115.11 119.17 1u5o h GLN 16 Ca 0.18 0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.64 1u5o h GLN 16 Cb 0.41 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 1u5o h GLN 16 CO -0.44 -0.34 -0.12 1.25 -2.65 0.00 0.00 178.83 176.54 1u5o h HIS 17 N -0.53 0.52 0.42 3.99 2.76 -1.12 -2.65 115.15 118.54 1u5o h HIS 17 Ca 0.05 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 1u5o h HIS 17 Cb 0.60 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1u5o h HIS 17 CO -0.36 0.60 -0.20 -0.92 -1.30 0.00 0.00 177.93 175.74 1u5o h TYR 18 N 0.45 -0.53 -0.53 5.26 5.03 0.58 -2.66 116.97 124.58 1u5o h TYR 18 Ca 0.09 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.34 1u5o h TYR 18 Cb 0.48 0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.91 1u5o h TYR 18 CO 0.02 -0.25 0.15 1.88 -1.32 0.00 0.00 178.16 178.64 1u5o h TYR 19 N -0.72 0.87 -0.12 -3.82 0.05 -1.38 -0.70 116.97 111.14 1u5o h TYR 19 Ca -0.06 -0.09 0.04 0.00 0.05 0.00 0.00 58.73 58.67 1u5o h TYR 19 Cb 0.51 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.96 1u5o h TYR 19 CO -0.01 0.75 -0.15 0.37 -1.05 0.00 0.00 178.16 178.07 1u5o h GLN 20 N 0.73 -0.18 0.00 4.88 4.15 -1.53 0.28 115.11 123.44 1u5o h GLN 20 Ca 0.17 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 1u5o h GLN 20 Cb 0.30 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 1u5o h GLN 20 CO -0.00 -0.12 -0.08 -0.07 -1.93 0.00 0.00 178.83 176.63 1u5o h LEU 21 N -0.19 0.00 -1.15 -2.39 4.07 -1.28 -0.05 115.31 114.32 1u5o h LEU 21 Ca 0.09 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.99 1u5o h LEU 21 Cb 0.32 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 1u5o h LEU 21 CO -0.23 0.08 -0.29 0.15 -1.08 0.00 0.00 178.44 177.07 1u5o h PHE 22 N 0.00 0.00 0.00 1.13 3.04 0.58 -1.96 116.94 119.73 1u5o h PHE 22 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1u5o h PHE 22 Cb 0.16 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.67 1u5o h PHE 22 CO 0.00 0.29 -1.29 0.00 -2.02 0.00 0.00 178.31 175.29 1u5o n ALA 23 N -2.28 3.76 -0.04 2.41 0.00 -0.11 -4.51 120.51 119.73 1u5o n ALA 23 Ca -0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 53.44 52.90 1u5o n ALA 23 Cb 0.44 -0.83 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 1u5o n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u5o n ASN 24 N -1.86 2.43 -2.72 0.00 3.02 -0.71 -4.81 115.26 110.61 1u5o n ASN 24 Ca 0.01 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.54 1u5o n ASN 24 Cb 0.43 0.93 0.02 0.00 -0.61 0.00 0.00 39.78 40.56 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 -4.05 -0.46 0.52 6.41 -1.08 -0.75 -5.03 116.67 112.23 1u5o s ASP 25 Ca -0.05 -0.46 0.25 0.00 -0.52 0.00 0.00 52.55 51.77 1u5o s ASP 25 Cb 0.04 0.59 1.36 0.00 -1.46 0.00 0.00 42.92 43.46 1u5o s ASP 25 CO 0.44 -0.03 1.98 0.03 0.52 0.00 0.00 175.17 178.11 1u5o h ARG 26 N 4.67 0.05 0.00 4.34 3.08 -1.78 -1.21 114.38 123.53 1u5o h ARG 26 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1u5o h ARG 26 Cb 1.18 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1u5o h ARG 26 CO -0.08 0.03 0.00 0.25 -1.07 0.00 0.00 179.97 179.10 1u5o n THR 27 N -4.38 0.00 0.19 2.04 -2.24 -1.26 -2.03 114.28 106.60 1u5o n THR 27 Ca 0.11 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.94 1u5o n THR 27 Cb 0.63 -0.45 0.08 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.67 1.43 0.28 -0.78 6.02 -0.46 -4.61 117.38 118.59 1u5o n GLN 28 Ca 0.04 -1.48 0.17 0.00 -0.01 0.00 0.00 57.00 55.72 1u5o n GLN 28 Cb 0.02 -1.22 0.78 0.00 1.02 0.00 0.00 30.24 30.84 1u5o n GLN 28 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1u5o h LEU 29 N 1.96 0.00 -1.07 1.08 -0.00 -1.59 -3.24 115.31 112.45 1u5o h LEU 29 Ca 0.00 0.00 0.27 0.00 -0.00 0.00 0.00 57.88 58.15 1u5o h LEU 29 Cb 0.54 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.08 1u5o h LEU 29 CO 0.00 0.05 0.61 1.23 -0.00 0.00 0.00 178.44 180.32 1u5o h GLY 30 N 1.41 1.82 2.00 0.83 0.00 -1.83 -1.91 103.07 105.39 1u5o h GLY 30 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1u5o h GLY 30 CO 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 176.54 176.27 1u5o n ALA 31 N -2.34 1.15 -0.23 3.60 0.00 -1.22 -1.95 120.51 119.52 1u5o n ALA 31 Ca 0.28 0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.94 1u5o n ALA 31 Cb 0.82 -1.28 0.21 0.00 0.00 0.00 0.00 19.45 19.19 1u5o n ALA 31 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1u5o n ILE 32 N -2.13 0.99 -4.35 0.00 -5.35 -0.72 -4.94 119.36 102.86 1u5o n ILE 32 Ca -0.01 -0.99 -0.23 0.00 -0.27 0.00 0.00 62.75 61.25 1u5o n ILE 32 Cb 0.06 0.51 -0.13 0.00 -1.74 0.00 0.00 39.64 38.35 1u5o n ILE 32 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1u5o s TYR 33 N -1.00 1.70 0.74 4.28 2.02 -0.82 0.31 117.35 124.58 1u5o s TYR 33 Ca 0.32 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.58 1u5o s TYR 33 Cb 0.16 -0.95 0.15 0.00 -0.40 0.00 0.00 41.96 40.92 1u5o s TYR 33 CO 0.22 0.16 1.02 0.44 -1.57 0.00 0.00 175.55 175.81 1u5o n ILE 34 N 1.30 0.00 0.04 2.71 -5.35 -1.19 -4.91 119.36 111.96 1u5o n ILE 34 Ca -0.19 -1.46 -0.08 0.00 -0.27 0.00 0.00 62.75 60.75 1u5o n ILE 34 Cb 0.54 -0.99 0.08 0.00 -1.74 0.00 0.00 39.64 37.53 1u5o n ILE 34 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1u5o h ASP 35 N -0.73 0.48 -0.57 7.28 3.32 -1.94 -3.19 116.42 121.06 1u5o h ASP 35 Ca -0.34 -0.26 -0.36 0.00 0.02 0.00 0.00 57.03 56.09 1u5o h ASP 35 Cb 1.19 -0.14 -0.15 0.00 0.22 0.00 0.00 39.33 40.45 1u5o h ASP 35 CO 0.34 0.95 0.42 0.00 -1.72 0.00 0.00 179.24 179.23 1u5o n ALA 36 N -2.50 5.36 -1.93 3.45 0.00 -1.26 -1.16 120.51 122.46 1u5o n ALA 36 Ca -0.03 -1.91 -0.28 0.00 0.00 0.00 0.00 53.44 51.22 1u5o n ALA 36 Cb 0.61 -1.50 0.12 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 0.16 4.03 -0.14 0.00 0.01 -1.21 -4.79 113.70 111.76 1u5o s SER 37 Ca 0.36 0.34 -0.08 0.00 1.31 0.00 0.00 55.95 57.89 1u5o s SER 37 Cb 0.27 -0.69 0.05 0.00 0.21 0.00 0.00 66.02 65.87 1u5o s SER 37 CO -0.04 -2.14 0.35 0.00 0.41 0.00 0.00 173.24 171.82 1u5o s LEU 39 N 1.36 2.07 -0.24 0.00 2.96 0.15 -1.50 118.68 123.48 1u5o s LEU 39 Ca -0.09 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 1u5o s LEU 39 Cb -0.09 -0.90 0.06 0.00 0.50 0.00 0.00 46.19 45.77 1u5o s LEU 39 CO -0.11 0.19 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.19 1u5o s THR 40 N -0.53 1.43 -0.37 3.68 2.01 -0.30 0.12 115.64 121.69 1u5o s THR 40 Ca 0.06 -1.20 -0.03 0.00 0.31 0.00 0.00 61.69 60.83 1u5o s THR 40 Cb -0.07 -1.75 0.08 0.00 0.01 0.00 0.00 72.50 70.77 1u5o s THR 40 CO -0.00 -0.16 0.13 0.86 -0.69 0.00 0.00 174.62 174.76 1u5o s TRP 41 N 1.43 3.43 -1.08 4.92 -0.11 0.23 -0.41 118.94 127.35 1u5o s TRP 41 Ca -0.04 -2.07 -0.08 0.00 1.22 0.00 0.00 56.10 55.13 1u5o s TRP 41 Cb -0.19 -2.74 -0.05 0.00 -1.50 0.00 0.00 33.47 28.99 1u5o s TRP 41 CO -0.07 -0.88 0.89 0.39 -4.62 0.00 0.00 176.95 172.66 1u5o n GLU 42 N 4.65 -2.42 0.00 5.86 -0.58 -0.82 -2.21 120.64 125.12 1u5o n GLU 42 Ca -0.07 0.78 0.00 0.00 -0.42 0.00 0.00 57.16 57.45 1u5o n GLU 42 Cb 0.42 -5.49 0.00 0.00 -0.57 0.00 0.00 31.44 25.80 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 -1.32 2.62 3.66 0.62 0.00 -1.26 -4.98 105.19 104.53 1u5o n GLY 43 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 4.19 0.16 1.61 -0.21 -0.94 -5.04 119.66 119.43 1u5o s GLN 44 Ca 0.00 0.39 -0.13 0.00 0.02 0.00 0.00 55.36 55.64 1u5o s GLN 44 Cb 0.00 -3.56 -0.07 0.00 1.00 0.00 0.00 33.01 30.38 1u5o s GLN 44 CO 0.00 -0.14 0.55 -1.14 -2.12 0.00 0.00 175.29 172.44 1u5o s GLN 45 N 1.61 3.95 -0.01 2.91 0.74 -1.25 0.75 119.66 128.35 1u5o s GLN 45 Ca 0.24 0.45 0.00 0.00 0.05 0.00 0.00 55.36 56.10 1u5o s GLN 45 Cb -0.15 -2.88 0.02 0.00 1.10 0.00 0.00 33.01 31.10 1u5o s GLN 45 CO 0.09 0.45 0.02 -0.06 -0.55 0.00 0.00 175.29 175.24 1u5o s PHE 46 N -1.53 0.05 0.11 1.67 0.40 0.33 -4.95 117.98 114.06 1u5o s PHE 46 Ca 0.39 0.08 0.08 0.00 -0.60 0.00 0.00 56.93 56.89 1u5o s PHE 46 Cb -0.14 -0.19 -0.04 0.00 0.51 0.00 0.00 43.02 43.16 1u5o s PHE 46 CO 0.19 -0.07 -0.15 -0.65 0.70 0.00 0.00 175.22 175.25 1u5o s GLN 47 N 0.76 1.91 0.00 0.44 -0.21 -1.26 0.29 119.66 121.60 1u5o s GLN 47 Ca -0.06 -1.12 0.00 0.00 0.02 0.00 0.00 55.36 54.20 1u5o s GLN 47 Cb -0.09 -2.18 0.00 0.00 1.00 0.00 0.00 33.01 31.73 1u5o s GLN 47 CO -0.02 0.49 0.00 0.41 -2.12 0.00 0.00 175.29 174.05 1u5o n GLY 48 N 0.78 -2.34 0.46 3.09 0.00 -0.25 -4.20 105.19 102.72 1u5o n GLY 48 Ca -0.15 -1.34 -0.17 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.99 -0.88 1.61 3.64 -1.26 -3.06 116.57 115.64 1u5o h LYS 49 Ca 0.00 0.07 0.12 0.00 -1.27 0.00 0.00 60.65 59.57 1u5o h LYS 49 Cb 0.00 0.23 -0.13 0.00 -0.41 0.00 0.00 32.23 31.91 1u5o h LYS 49 CO 0.00 -0.66 -0.37 0.00 -2.27 0.00 0.00 179.45 176.14 1u5o n ALA 50 N -2.68 -0.19 0.29 5.00 0.00 -1.26 -0.34 120.51 121.32 1u5o n ALA 50 Ca -0.13 0.85 0.17 0.00 0.00 0.00 0.00 53.44 54.33 1u5o n ALA 50 Cb 0.44 -0.34 0.84 0.00 0.00 0.00 0.00 19.45 20.39 1u5o n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u5o h ALA 51 N 1.06 1.11 0.04 0.00 0.00 -1.72 -1.98 119.26 117.77 1u5o h ALA 51 Ca 0.27 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1u5o h ALA 51 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1u5o h ALA 51 CO -0.86 0.07 -0.02 0.82 0.00 0.00 0.00 179.25 179.26 1u5o h ILE 52 N 0.00 0.81 -0.15 0.00 2.04 -0.58 -2.40 117.51 117.23 1u5o h ILE 52 Ca -0.00 -1.51 0.05 0.00 1.00 0.00 0.00 64.86 64.40 1u5o h ILE 52 Cb 0.31 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 1u5o h ILE 52 CO 0.01 0.26 -0.19 0.58 0.00 0.00 0.00 178.15 178.81 1u5o h VAL 53 N -0.98 0.51 -0.16 1.67 2.07 -1.27 -1.08 116.25 117.00 1u5o h VAL 53 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1u5o h VAL 53 Cb 0.47 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1u5o h VAL 53 CO 0.01 0.00 -0.36 -0.08 0.02 0.00 0.00 177.57 177.16 1u5o h GLU 54 N -0.23 -0.40 -0.32 1.57 4.22 -1.49 0.31 114.58 118.23 1u5o h GLU 54 Ca 0.11 0.03 0.07 0.00 0.08 0.00 0.00 59.36 59.64 1u5o h GLU 54 Cb 0.39 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 1u5o h GLU 54 CO -0.29 -0.27 -0.12 -0.22 -2.18 0.00 0.00 179.01 175.93 1u5o h LYS 55 N -0.41 -0.06 -0.19 1.92 1.63 -0.94 -1.20 116.57 117.31 1u5o h LYS 55 Ca 0.10 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 1u5o h LYS 55 Cb 0.57 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1u5o h LYS 55 CO -0.39 -0.04 -0.03 -0.07 -3.45 0.00 0.00 179.45 175.47 1u5o h LEU 56 N -0.06 0.26 -1.51 5.20 3.38 -0.57 -2.21 115.31 119.79 1u5o h LEU 56 Ca 0.16 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1u5o h LEU 56 Cb 0.31 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1u5o h LEU 56 CO -0.36 0.34 -0.17 0.28 0.09 0.00 0.00 178.44 178.62 1u5o h SER 57 N 0.28 0.00 0.16 -0.43 0.02 0.81 -3.16 113.55 111.22 1u5o h SER 57 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1u5o h SER 57 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1u5o h SER 57 CO 0.01 0.17 -0.24 -1.54 -1.14 0.00 0.00 176.83 174.09 1u5o n SER 58 N -3.46 1.29 -4.67 3.07 3.41 -0.83 -4.93 113.62 107.49 1u5o n SER 58 Ca -0.01 -1.10 -0.45 0.00 -0.26 0.00 0.00 58.87 57.05 1u5o n SER 58 Cb 0.34 0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.38 3.74 -0.47 1.04 4.77 -1.20 -4.83 117.00 119.68 1u5o n LEU 59 Ca 0.13 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 1u5o n LEU 59 Cb 0.37 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 1u5o n LEU 59 CO 0.24 0.04 0.00 -0.81 -1.33 0.00 0.00 177.39 175.54 1u5o n PRO 60 N 6.64 0.00 -3.44 3.23 -0.04 -1.26 -4.80 135.00 135.33 1u5o n PRO 60 Ca 0.21 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.44 1u5o n PRO 60 Cb 0.34 -0.95 -0.01 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.96 3.44 0.04 0.54 -0.12 -1.26 -5.04 117.98 114.61 1u5o s PHE 61 Ca 0.00 0.24 -0.00 0.00 -0.05 0.00 0.00 56.93 57.12 1u5o s PHE 61 Cb 0.00 -1.89 -0.00 0.00 -0.63 0.00 0.00 43.02 40.50 1u5o s PHE 61 CO 0.00 0.11 -0.00 1.04 -0.05 0.00 0.00 175.22 176.32 1u5o n GLN 62 N -1.75 0.01 -5.00 1.99 6.02 -1.26 -5.03 117.38 112.35 1u5o n GLN 62 Ca -0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.62 1u5o n GLN 62 Cb 0.57 -0.51 -0.16 0.00 1.02 0.00 0.00 30.24 31.16 1u5o n GLN 62 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1u5o s LYS 63 N -2.01 3.21 0.05 -1.09 1.02 -1.26 -5.04 119.74 114.62 1u5o s LYS 63 Ca -0.00 -0.78 0.03 0.00 0.02 0.00 0.00 55.97 55.23 1u5o s LYS 63 Cb 0.00 -2.46 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 1u5o s LYS 63 CO 0.00 0.20 -0.10 -1.50 -0.92 0.00 0.00 175.35 173.04 1u5o s ILE 64 N 0.34 0.70 0.01 2.17 2.07 -1.26 -0.93 121.20 124.30 1u5o s ILE 64 Ca -0.15 -1.16 -0.01 0.00 -1.41 0.00 0.00 60.65 57.92 1u5o s ILE 64 Cb -0.17 -0.76 -0.01 0.00 0.13 0.00 0.00 42.46 41.65 1u5o s ILE 64 CO 0.07 -0.35 -0.00 -1.58 -1.91 0.00 0.00 174.94 171.18 1u5o s GLN 65 N -1.67 0.24 0.08 3.50 0.74 -1.15 -4.83 119.66 116.57 1u5o s GLN 65 Ca -0.07 -0.40 0.05 0.00 0.05 0.00 0.00 55.36 54.99 1u5o s GLN 65 Cb -0.10 0.09 -0.03 0.00 1.10 0.00 0.00 33.01 34.07 1u5o s GLN 65 CO 0.01 -0.04 -0.13 -1.01 -0.55 0.00 0.00 175.29 173.57 1u5o s HIS 66 N -1.00 1.19 -0.31 1.67 3.76 -1.26 -2.84 115.29 116.49 1u5o s HIS 66 Ca -0.11 -0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 54.27 1u5o s HIS 66 Cb -0.07 -0.66 0.11 0.00 1.11 0.00 0.00 32.58 33.07 1u5o s HIS 66 CO -0.00 0.05 0.13 -1.54 -0.85 0.00 0.00 174.74 172.53 1u5o s SER 67 N -1.97 3.71 -0.34 1.40 1.04 -0.09 -5.01 113.70 112.44 1u5o s SER 67 Ca 0.01 -1.59 -0.28 0.00 0.48 0.00 0.00 55.95 54.56 1u5o s SER 67 Cb -0.08 -0.61 -0.02 0.00 0.10 0.00 0.00 66.02 65.41 1u5o s SER 67 CO 0.02 -0.41 1.81 -0.63 0.98 0.00 0.00 173.24 175.01 1u5o s ILE 68 N 1.71 3.46 0.00 -1.02 -1.09 -1.26 -1.93 121.20 121.07 1u5o s ILE 68 Ca 0.11 0.46 -0.04 0.00 -2.23 0.00 0.00 60.65 58.95 1u5o s ILE 68 Cb -0.18 -3.64 -0.28 0.00 -1.58 0.00 0.00 42.46 36.78 1u5o s ILE 68 CO -0.27 -0.42 0.87 0.74 -1.23 0.00 0.00 174.94 174.63 1u5o h THR 69 N 6.82 1.16 -2.52 2.92 2.02 -1.66 -3.48 112.91 118.18 1u5o h THR 69 Ca -0.33 -2.79 -0.09 0.00 0.77 0.00 0.00 66.41 63.97 1u5o h THR 69 Cb 1.17 2.78 -0.20 0.00 -1.74 0.00 0.00 68.15 70.16 1u5o h THR 69 CO 1.04 0.82 -0.06 0.00 0.37 0.00 0.00 175.52 177.69 1u5o s ALA 70 N -2.62 -1.26 -0.17 6.16 0.00 -0.39 -5.02 121.76 118.46 1u5o s ALA 70 Ca -0.09 0.97 -0.06 0.00 0.00 0.00 0.00 51.96 52.77 1u5o s ALA 70 Cb 0.07 -0.18 0.08 0.00 0.00 0.00 0.00 23.12 23.09 1u5o s ALA 70 CO 0.86 -0.30 0.36 1.14 0.00 0.00 0.00 175.76 177.82 1u5o s GLN 71 N -0.88 0.26 -0.10 0.00 -2.07 -1.26 -1.84 119.66 113.77 1u5o s GLN 71 Ca -0.09 0.92 -0.00 0.00 -1.82 0.00 0.00 55.36 54.36 1u5o s GLN 71 Cb -0.03 0.18 -0.03 0.00 -1.09 0.00 0.00 33.01 32.04 1u5o s GLN 71 CO 0.05 -0.27 -0.08 -0.51 -1.32 0.00 0.00 175.29 173.16 1u5o s ASP 72 N 2.54 4.48 -0.01 12.60 1.01 -0.39 -4.95 116.67 131.94 1u5o s ASP 72 Ca -0.00 -0.13 0.04 0.00 0.71 0.00 0.00 52.55 53.17 1u5o s ASP 72 Cb -0.12 -1.37 -0.01 0.00 1.01 0.00 0.00 42.92 42.43 1u5o s ASP 72 CO -0.11 0.27 -0.15 -1.00 0.21 0.00 0.00 175.17 174.39 1u5o s HIS 73 N -0.29 1.35 -0.02 4.23 3.76 -1.26 -1.04 115.29 122.02 1u5o s HIS 73 Ca 0.04 -0.27 -0.10 0.00 -0.15 0.00 0.00 55.06 54.57 1u5o s HIS 73 Cb -0.13 -0.88 0.01 0.00 1.11 0.00 0.00 32.58 32.70 1u5o s HIS 73 CO 0.03 -0.04 0.22 -0.65 -0.85 0.00 0.00 174.74 173.45 1u5o s GLN 74 N -0.30 0.51 0.23 1.40 -0.21 -0.94 -4.86 119.66 115.50 1u5o s GLN 74 Ca 0.05 -0.19 -0.16 0.00 0.02 0.00 0.00 55.36 55.07 1u5o s GLN 74 Cb -0.06 0.22 -0.08 0.00 1.00 0.00 0.00 33.01 34.09 1u5o s GLN 74 CO -0.00 -0.12 0.68 -1.25 -2.12 0.00 0.00 175.29 172.47 1u5o s PRO 75 N -1.09 4.09 0.33 2.91 0.04 -1.26 -1.67 135.00 138.34 1u5o s PRO 75 Ca -0.12 0.69 0.07 0.00 0.04 0.00 0.00 61.00 61.68 1u5o s PRO 75 Cb -0.06 -2.75 -0.02 0.00 0.04 0.00 0.00 34.50 31.71 1u5o s PRO 75 CO 0.02 0.34 0.34 0.95 0.04 0.00 0.00 177.00 178.69 1u5o s THR 76 N -1.66 3.82 0.37 1.26 -4.23 -0.04 -4.93 115.64 110.23 1u5o s THR 76 Ca 0.45 -1.25 0.11 0.00 -1.18 0.00 0.00 61.69 59.83 1u5o s THR 76 Cb -0.14 -3.29 0.34 0.00 1.34 0.00 0.00 72.50 70.74 1u5o s THR 76 CO 0.20 -0.19 1.85 -0.65 -0.54 0.00 0.00 174.62 175.29 1u5o h PRO 77 N 1.16 0.60 -0.96 3.99 0.11 -1.98 -1.50 132.00 133.42 1u5o h PRO 77 Ca -0.46 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1u5o h PRO 77 Cb 1.25 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1u5o h PRO 77 CO 0.57 0.40 0.09 -0.25 -0.21 0.00 0.00 178.00 178.60 1u5o n ASP 78 N -4.57 2.76 -3.56 -2.05 8.00 -1.26 -4.85 116.55 111.02 1u5o n ASP 78 Ca 0.19 -2.32 -0.21 0.00 0.71 0.00 0.00 54.79 53.15 1u5o n ASP 78 Cb 0.54 -0.57 0.08 0.00 -0.02 0.00 0.00 41.12 41.16 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 0.12 -4.14 -4.70 -2.24 7.64 -0.56 -5.02 113.62 104.72 1u5o n SER 79 Ca 0.11 -0.61 -0.32 0.00 1.01 0.00 0.00 58.87 59.06 1u5o n SER 79 Cb 0.66 -4.94 -0.08 0.00 -1.01 0.00 0.00 64.21 58.85 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 -2.91 1.12 -0.13 0.00 1.01 -0.87 -0.86 121.20 118.56 1u5o s ILE 81 Ca 0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 1u5o s ILE 81 Cb 0.02 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 1u5o s ILE 81 CO 0.04 0.37 -0.09 -0.51 0.00 0.00 0.00 174.94 174.75 1u5o s ILE 82 N 1.32 3.40 0.02 2.92 2.07 -0.67 -0.01 121.20 130.26 1u5o s ILE 82 Ca -0.02 -0.54 0.07 0.00 -1.41 0.00 0.00 60.65 58.75 1u5o s ILE 82 Cb -0.14 -2.45 -0.02 0.00 0.13 0.00 0.00 42.46 39.99 1u5o s ILE 82 CO -0.04 0.52 -0.21 -0.44 -1.91 0.00 0.00 174.94 172.86 1u5o s SER 83 N 0.21 2.46 -0.08 4.50 0.01 0.29 -2.21 113.70 118.87 1u5o s SER 83 Ca -0.06 -0.48 0.04 0.00 1.31 0.00 0.00 55.95 56.77 1u5o s SER 83 Cb -0.15 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.86 1u5o s SER 83 CO 0.04 0.19 -0.21 -0.32 0.41 0.00 0.00 173.24 173.35 1u5o s MET 84 N -0.96 2.60 -0.07 12.44 1.75 -0.20 -1.96 119.30 132.90 1u5o s MET 84 Ca 0.08 -0.77 0.05 0.00 -1.25 0.00 0.00 55.69 53.79 1u5o s MET 84 Cb -0.09 -2.04 -0.00 0.00 2.84 0.00 0.00 34.83 35.54 1u5o s MET 84 CO 0.01 0.19 -0.22 0.08 -0.65 0.00 0.00 175.02 174.43 1u5o s VAL 85 N 0.29 1.88 -0.09 10.11 1.01 -0.07 -1.26 120.40 132.27 1u5o s VAL 85 Ca -0.14 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1u5o s VAL 85 Cb -0.16 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1u5o s VAL 85 CO 0.07 0.52 -0.11 -0.69 0.00 0.00 0.00 175.10 174.89 1u5o s VAL 86 N 0.16 1.13 0.00 2.92 1.01 -0.76 -0.90 120.40 123.96 1u5o s VAL 86 Ca -0.11 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1u5o s VAL 86 Cb -0.15 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1u5o s VAL 86 CO 0.06 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1u5o n GLY 87 N 4.21 2.37 3.02 4.51 0.00 -0.81 -1.26 105.19 117.24 1u5o n GLY 87 Ca -0.19 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 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 1.33 0.40 0.05 1.61 -0.21 -0.81 -1.99 119.66 120.04 1u5o s GLN 88 Ca 0.00 -0.70 -0.03 0.00 0.02 0.00 0.00 55.36 54.66 1u5o s GLN 88 Cb 0.00 0.14 -0.03 0.00 1.00 0.00 0.00 33.01 34.12 1u5o s GLN 88 CO 0.00 -0.07 0.02 -0.48 -2.12 0.00 0.00 175.29 172.64 1u5o s LEU 89 N -1.74 2.23 -0.15 2.90 0.05 -0.25 -0.91 118.68 120.81 1u5o s LEU 89 Ca -0.11 -0.87 -0.01 0.00 0.05 0.00 0.00 54.13 53.18 1u5o s LEU 89 Cb -0.06 0.38 0.04 0.00 -2.05 0.00 0.00 46.19 44.50 1u5o s LEU 89 CO -0.02 -0.60 -0.01 -0.75 -0.55 0.00 0.00 176.35 174.41 1u5o s LYS 90 N -3.66 0.99 -0.51 1.48 2.20 -1.13 -1.25 119.74 117.87 1u5o s LYS 90 Ca 0.04 -0.31 -0.17 0.00 -0.36 0.00 0.00 55.97 55.18 1u5o s LYS 90 Cb 0.06 -1.74 0.08 0.00 -1.51 0.00 0.00 37.83 34.72 1u5o s LYS 90 CO -0.09 -0.45 0.50 0.00 -0.36 0.00 0.00 175.35 174.95 1u5o s ALA 91 N 1.79 3.52 0.00 3.13 0.00 -1.26 -2.93 121.76 126.02 1u5o s ALA 91 Ca 0.02 -2.12 0.00 0.00 0.00 0.00 0.00 51.96 49.86 1u5o s ALA 91 Cb -0.15 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1u5o s ALA 91 CO -0.07 -1.91 0.00 -0.25 0.00 0.00 0.00 175.76 173.53 1u5o n ASP 92 N 5.56 0.00 -1.70 0.00 8.00 -0.11 -0.50 116.55 127.80 1u5o n ASP 92 Ca -0.11 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.43 1u5o n ASP 92 Cb 0.43 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 41.88 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 14.00 4.13 -2.15 -1.24 -0.58 -1.26 -4.94 120.64 128.60 1u5o n GLU 93 Ca 0.00 -3.09 -0.34 0.00 -0.42 0.00 0.00 57.16 53.32 1u5o n GLU 93 Cb 0.00 -2.16 0.00 0.00 -0.57 0.00 0.00 31.44 28.71 1u5o n GLU 93 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1u5o s ASP 94 N -1.14 5.78 0.41 1.62 -0.00 0.35 -4.97 116.67 118.72 1u5o s ASP 94 Ca 0.52 1.95 -0.26 0.00 -0.00 0.00 0.00 52.55 54.76 1u5o s ASP 94 Cb 0.41 -2.55 -0.08 0.00 -0.00 0.00 0.00 42.92 40.69 1u5o s ASP 94 CO 0.13 -1.17 1.30 -2.16 -0.00 0.00 0.00 175.17 173.27 1u5o s PRO 95 N -3.73 3.92 0.25 8.23 0.04 -1.26 -4.33 135.00 138.12 1u5o s PRO 95 Ca 0.67 2.13 -0.31 0.00 0.04 0.00 0.00 61.00 63.54 1u5o s PRO 95 Cb -0.18 -2.72 -0.14 0.00 0.04 0.00 0.00 34.50 31.50 1u5o s PRO 95 CO 0.32 -0.52 1.26 -0.89 0.04 0.00 0.00 177.00 177.21 1u5o n ILE 96 N 0.04 1.28 -3.98 0.56 5.41 -1.26 -4.74 119.36 116.67 1u5o n ILE 96 Ca 0.04 -0.32 -0.09 0.00 1.00 0.00 0.00 62.75 63.38 1u5o n ILE 96 Cb 0.44 -1.26 -0.10 0.00 -0.71 0.00 0.00 39.64 38.01 1u5o n ILE 96 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1u5o s MET 97 N -0.82 0.47 0.81 0.38 -1.94 -0.38 -4.99 119.30 112.83 1u5o s MET 97 Ca 0.66 -0.77 -0.11 0.00 -1.71 0.00 0.00 55.69 53.76 1u5o s MET 97 Cb -0.69 0.18 0.11 0.00 2.01 0.00 0.00 34.83 36.43 1u5o s MET 97 CO 0.54 -0.10 1.16 0.20 -0.01 0.00 0.00 175.02 176.81 1u5o s GLY 98 N -1.97 1.67 -0.21 -0.03 0.00 -1.26 -1.09 107.32 104.43 1u5o s GLY 98 Ca -0.08 -0.90 -0.36 0.00 0.00 0.00 0.00 44.72 43.39 1u5o s GLY 98 CO -0.04 -0.36 1.25 -0.11 0.00 0.00 0.00 173.10 173.85 1u5o s PHE 99 N -3.55 -0.10 0.03 1.90 -0.12 -0.84 -1.01 117.98 114.29 1u5o s PHE 99 Ca 0.64 0.06 0.02 0.00 -0.05 0.00 0.00 56.93 57.60 1u5o s PHE 99 Cb -0.09 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.79 1u5o s PHE 99 CO 0.49 -0.16 -0.06 -3.38 -0.05 0.00 0.00 175.22 172.05 1u5o s HIS 100 N -2.33 0.56 0.10 3.49 -3.43 -0.99 -1.92 115.29 110.76 1u5o s HIS 100 Ca 0.10 -0.38 -0.00 0.00 -0.80 0.00 0.00 55.06 53.98 1u5o s HIS 100 Cb -0.01 -0.34 -0.04 0.00 -1.43 0.00 0.00 32.58 30.76 1u5o s HIS 100 CO -0.04 -0.07 -0.01 -1.14 -2.00 0.00 0.00 174.74 171.48 1u5o s GLN 101 N -1.15 0.80 0.02 -0.38 0.74 -0.08 -2.46 119.66 117.15 1u5o s GLN 101 Ca -0.07 -1.34 0.00 0.00 0.05 0.00 0.00 55.36 54.00 1u5o s GLN 101 Cb -0.08 0.07 -0.02 0.00 1.10 0.00 0.00 33.01 34.09 1u5o s GLN 101 CO 0.00 -0.13 -0.03 1.41 -0.55 0.00 0.00 175.29 175.99 1u5o s MET 102 N -3.94 0.31 -0.02 1.67 -2.45 -0.05 -0.89 119.30 113.94 1u5o s MET 102 Ca 0.15 -0.60 -0.03 0.00 -1.25 0.00 0.00 55.69 53.96 1u5o s MET 102 Cb 0.07 0.10 0.00 0.00 1.25 0.00 0.00 34.83 36.25 1u5o s MET 102 CO -0.04 -0.05 0.06 -0.06 1.05 0.00 0.00 175.02 175.99 1u5o s PHE 103 N -1.43 -0.01 -0.25 4.11 0.08 -0.83 -2.05 117.98 117.60 1u5o s PHE 103 Ca -0.16 0.05 0.01 0.00 0.12 0.00 0.00 56.93 56.96 1u5o s PHE 103 Cb -0.10 -0.01 0.06 0.00 -0.57 0.00 0.00 43.02 42.40 1u5o s PHE 103 CO -0.01 -0.09 -0.06 -1.17 -0.10 0.00 0.00 175.22 173.80 1u5o s LEU 104 N -0.34 2.84 0.23 -0.37 2.96 -0.48 -0.55 118.68 122.96 1u5o s LEU 104 Ca -0.04 -1.28 -0.06 0.00 -0.22 0.00 0.00 54.13 52.53 1u5o s LEU 104 Cb -0.03 -1.27 -0.06 0.00 0.50 0.00 0.00 46.19 45.34 1u5o s LEU 104 CO 0.00 -0.24 0.50 -0.76 -1.32 0.00 0.00 176.35 174.53 1u5o s LEU 105 N 1.32 4.16 0.01 -0.68 1.43 0.99 -1.03 118.68 124.87 1u5o s LEU 105 Ca -0.05 0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 53.77 1u5o s LEU 105 Cb -0.19 -3.51 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 1u5o s LEU 105 CO -0.06 -0.08 0.00 -0.75 0.23 0.00 0.00 176.35 175.68 1u5o s LYS 106 N -3.07 0.20 -0.40 1.70 2.20 0.80 -2.05 119.74 119.12 1u5o s LYS 106 Ca 0.44 -0.32 -0.21 0.00 -0.36 0.00 0.00 55.97 55.51 1u5o s LYS 106 Cb -0.11 0.07 0.01 0.00 -1.51 0.00 0.00 37.83 36.29 1u5o s LYS 106 CO 0.26 -0.03 0.67 1.21 -0.36 0.00 0.00 175.35 177.09 1u5o s ASN 107 N -0.83 6.40 0.00 1.43 2.47 -1.26 0.00 114.94 123.16 1u5o s ASN 107 Ca -0.09 -0.03 0.02 0.00 0.42 0.00 0.00 52.86 53.18 1u5o s ASN 107 Cb -0.06 -2.34 -0.01 0.00 -1.45 0.00 0.00 41.25 37.40 1u5o s ASN 107 CO -0.00 -0.71 -0.07 -0.63 -3.72 0.00 0.00 177.10 171.97 1u5o s ILE 108 N 2.86 0.51 -1.68 -5.21 1.01 0.72 -4.71 121.20 114.70 1u5o s ILE 108 Ca 0.25 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1u5o s ILE 108 Cb -0.14 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 41.88 1u5o s ILE 108 CO 0.17 0.08 0.00 0.59 0.00 0.00 0.00 174.94 175.78 1u5o n ASN 109 N 2.74 -4.49 -3.10 3.58 4.13 -1.26 -0.39 115.26 116.47 1u5o n ASN 109 Ca -0.14 0.34 -0.16 0.00 1.68 0.00 0.00 54.58 56.29 1u5o n ASN 109 Cb 0.57 -3.99 0.08 0.00 -1.54 0.00 0.00 39.78 34.90 1u5o n ASN 109 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1u5o n ASP 110 N -1.12 -3.00 -3.65 6.41 2.03 -1.26 -5.02 116.55 110.94 1u5o n ASP 110 Ca -0.17 -0.51 -0.15 0.00 0.52 0.00 0.00 54.79 54.48 1u5o n ASP 110 Cb 0.57 -4.45 -0.08 0.00 -0.72 0.00 0.00 41.12 36.44 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 -3.30 -1.41 -0.12 -1.67 0.00 0.48 -5.14 121.76 110.60 1u5o s ALA 111 Ca 0.13 1.37 -0.22 0.00 0.00 0.00 0.00 51.96 53.24 1u5o s ALA 111 Cb -0.06 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1u5o s ALA 111 CO 0.63 -0.29 0.65 -1.58 0.00 0.00 0.00 175.76 175.17 1u5o s TRP 112 N -0.25 3.49 0.07 0.00 0.52 -1.26 -0.20 118.94 121.31 1u5o s TRP 112 Ca -0.04 1.10 0.05 0.00 0.02 0.00 0.00 56.10 57.23 1u5o s TRP 112 Cb -0.03 -2.78 -0.03 0.00 -1.15 0.00 0.00 33.47 29.48 1u5o s TRP 112 CO 0.03 -0.00 -0.15 0.14 0.02 0.00 0.00 176.95 176.99 1u5o s VAL 113 N 1.21 1.17 0.01 4.03 -7.23 0.10 -4.88 120.40 114.81 1u5o s VAL 113 Ca 0.33 -1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 58.89 1u5o s VAL 113 Cb -0.17 -1.12 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 1u5o s VAL 113 CO 0.14 -0.20 0.96 0.00 -0.31 0.00 0.00 175.10 175.70 1u5o n THR 115 N 3.73 0.58 -4.30 0.00 -2.24 -0.20 -3.19 114.28 108.67 1u5o n THR 115 Ca 0.05 -0.36 -0.18 0.00 -2.27 0.00 0.00 64.05 61.29 1u5o n THR 115 Cb 0.51 -0.77 -0.15 0.00 -2.10 0.00 0.00 70.33 67.82 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 -4.04 0.96 -0.10 3.42 0.01 -1.23 -1.34 114.94 112.61 1u5o s ASN 116 Ca -0.04 -0.15 -0.05 0.00 -0.71 0.00 0.00 52.86 51.91 1u5o s ASN 116 Cb 0.03 -0.17 0.05 0.00 0.41 0.00 0.00 41.25 41.56 1u5o s ASN 116 CO 0.35 0.08 0.23 -0.62 -1.51 0.00 0.00 177.10 175.63 1u5o s ASP 117 N -0.01 -0.21 -0.05 -1.22 -1.08 -0.56 -1.38 116.67 112.16 1u5o s ASP 117 Ca 0.01 0.50 0.03 0.00 -0.52 0.00 0.00 52.55 52.56 1u5o s ASP 117 Cb -0.05 0.39 0.01 0.00 -1.46 0.00 0.00 42.92 41.81 1u5o s ASP 117 CO -0.00 -0.17 -0.12 -0.04 0.52 0.00 0.00 175.17 175.36 1u5o s MET 118 N 1.31 1.42 0.01 4.34 -1.94 -0.87 -1.14 119.30 122.42 1u5o s MET 118 Ca -0.09 -0.40 0.02 0.00 -1.71 0.00 0.00 55.69 53.51 1u5o s MET 118 Cb -0.11 -1.24 -0.01 0.00 2.01 0.00 0.00 34.83 35.49 1u5o s MET 118 CO -0.08 0.10 -0.07 0.12 -0.01 0.00 0.00 175.02 175.08 1u5o s PHE 119 N 0.38 0.58 -0.29 -0.03 5.36 0.45 -0.87 117.98 123.55 1u5o s PHE 119 Ca -0.08 -0.19 -0.14 0.00 -0.96 0.00 0.00 56.93 55.57 1u5o s PHE 119 Cb -0.12 -0.37 0.12 0.00 -0.34 0.00 0.00 43.02 42.31 1u5o s PHE 119 CO 0.02 -0.02 0.77 0.50 -1.46 0.00 0.00 175.22 175.03 1u5o s ARG 120 N -0.46 0.54 0.47 10.12 3.52 -1.03 -1.95 118.95 130.16 1u5o s ARG 120 Ca -0.00 1.14 -0.23 0.00 -0.13 0.00 0.00 55.73 56.51 1u5o s ARG 120 Cb -0.04 0.47 -0.07 0.00 -1.56 0.00 0.00 34.95 33.75 1u5o s ARG 120 CO -0.00 -0.15 1.23 -0.51 -0.81 0.00 0.00 175.30 175.06 1u5o s LEU 121 N 2.22 4.02 -0.58 -0.88 1.43 -1.26 -2.36 118.68 121.27 1u5o s LEU 121 Ca -0.07 2.47 -0.23 0.00 -1.03 0.00 0.00 54.13 55.26 1u5o s LEU 121 Cb -0.08 -4.18 0.05 0.00 0.03 0.00 0.00 46.19 42.01 1u5o s LEU 121 CO -0.18 -1.04 0.92 0.00 0.23 0.00 0.00 176.35 176.28 1u5o s ALA 122 N -1.44 3.16 0.14 4.21 0.00 -0.18 -4.89 121.76 122.76 1u5o s ALA 122 Ca 0.64 -1.48 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 1u5o s ALA 122 Cb -0.33 -3.74 -0.07 0.00 0.00 0.00 0.00 23.12 18.98 1u5o s ALA 122 CO 0.40 -2.48 1.20 -0.51 0.00 0.00 0.00 175.76 174.38 1u5o s LEU 123 N 3.87 4.42 0.54 0.00 1.43 -1.26 -4.28 118.68 123.40 1u5o s LEU 123 Ca 0.26 2.15 -0.20 0.00 -1.03 0.00 0.00 54.13 55.32 1u5o s LEU 123 Cb -0.14 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 1u5o s LEU 123 CO 0.16 -0.41 1.16 -2.28 0.23 0.00 0.00 176.35 175.21 1u5o s HIS 124 N 0.39 2.64 -0.19 0.29 5.65 -1.26 -5.01 115.29 117.79 1u5o s HIS 124 Ca 0.55 1.53 -0.07 0.00 0.25 0.00 0.00 55.06 57.32 1u5o s HIS 124 Cb -0.32 -3.37 -0.04 0.00 -1.18 0.00 0.00 32.58 27.67 1u5o s HIS 124 CO 0.33 -1.75 0.06 0.54 -0.65 0.00 0.00 174.74 173.28 1u5o s ASN 125 N -1.61 5.59 0.00 9.88 4.22 -1.26 -5.27 114.94 126.49 1u5o s ASN 125 Ca 0.72 0.06 0.00 0.00 -2.14 0.00 0.00 52.86 51.49 1u5o s ASN 125 Cb -0.27 -1.96 0.00 0.00 1.28 0.00 0.00 41.25 40.30 1u5o s ASN 125 CO 0.31 0.16 0.19 0.49 -2.04 0.00 0.00 177.10 176.20