#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulg s LEU 2 N 0.00 4.39 0.04 -0.89 2.96 -1.26 -0.46 118.68 123.47 1ulg s LEU 2 Ca 0.00 0.56 0.01 0.00 -0.22 0.00 0.00 54.13 54.48 1ulg s LEU 2 Cb 0.00 -2.19 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 1ulg s LEU 2 CO 0.00 0.37 -0.05 -0.31 -1.32 0.00 0.00 176.35 175.04 1ulg s TYR 3 N -0.92 0.50 -0.34 5.38 1.51 0.28 -5.01 117.35 118.76 1ulg s TYR 3 Ca 0.17 -0.65 -0.02 0.00 -1.01 0.00 0.00 57.07 55.55 1ulg s TYR 3 Cb -0.13 -0.33 0.07 0.00 -0.11 0.00 0.00 41.96 41.46 1ulg s TYR 3 CO 0.06 -0.18 0.07 -1.01 -1.11 0.00 0.00 175.55 173.37 1ulg s HIS 4 N -2.09 3.37 -0.34 2.71 3.76 -1.26 -1.42 115.29 120.01 1ulg s HIS 4 Ca -0.07 -2.01 -0.17 0.00 -0.15 0.00 0.00 55.06 52.66 1ulg s HIS 4 Cb -0.05 -2.46 -0.01 0.00 1.11 0.00 0.00 32.58 31.17 1ulg s HIS 4 CO -0.03 -0.85 0.48 -1.17 -0.85 0.00 0.00 174.74 172.32 1ulg s LEU 5 N 1.23 4.36 0.23 0.89 2.96 -0.86 -4.87 118.68 122.61 1ulg s LEU 5 Ca -0.01 -0.06 -0.14 0.00 -0.22 0.00 0.00 54.13 53.70 1ulg s LEU 5 Cb -0.21 -2.53 -0.08 0.00 0.50 0.00 0.00 46.19 43.88 1ulg s LEU 5 CO -0.02 -0.44 0.63 -0.36 -1.32 0.00 0.00 176.35 174.84 1ulg s PHE 6 N 2.30 3.50 0.36 5.38 0.40 -1.26 -0.46 117.98 128.20 1ulg s PHE 6 Ca 0.17 1.11 -0.28 0.00 -0.60 0.00 0.00 56.93 57.33 1ulg s PHE 6 Cb -0.16 -2.43 -0.11 0.00 0.51 0.00 0.00 43.02 40.84 1ulg s PHE 6 CO 0.13 0.28 1.42 0.54 0.70 0.00 0.00 175.22 178.28 1ulg s VAL 7 N -1.71 2.30 -1.38 -0.44 0.11 -1.26 -1.91 120.40 116.11 1ulg s VAL 7 Ca 0.46 0.30 0.00 0.00 -2.93 0.00 0.00 61.98 59.81 1ulg s VAL 7 Cb -0.13 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.53 1ulg s VAL 7 CO 0.20 0.07 0.00 0.59 -3.33 0.00 0.00 175.10 172.63 1ulg n ASN 8 N 0.56 -4.75 -2.62 3.54 3.02 0.48 -4.93 115.26 110.56 1ulg n ASN 8 Ca 0.01 0.02 -0.12 0.00 -0.03 0.00 0.00 54.58 54.45 1ulg n ASN 8 Cb 0.40 -3.85 -0.03 0.00 -0.61 0.00 0.00 39.78 35.69 1ulg n ASN 8 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ulg n ASN 9 N -0.99 -0.99 -3.96 6.41 2.85 -0.80 -4.99 115.26 112.78 1ulg n ASN 9 Ca -0.19 -2.55 -0.10 0.00 -0.11 0.00 0.00 54.58 51.64 1ulg n ASN 9 Cb 0.63 1.90 -0.06 0.00 1.24 0.00 0.00 39.78 43.49 1ulg n ASN 9 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ulg s GLN 10 N -2.72 1.31 -0.07 1.20 -2.07 -1.26 -1.02 119.66 115.03 1ulg s GLN 10 Ca 0.25 -1.19 0.04 0.00 -1.82 0.00 0.00 55.36 52.63 1ulg s GLN 10 Cb -0.00 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.34 1ulg s GLN 10 CO 0.18 -0.51 -0.19 0.14 -1.32 0.00 0.00 175.29 173.59 1ulg s VAL 11 N -3.99 1.61 -0.31 3.63 -7.23 -0.47 -4.88 120.40 108.76 1ulg s VAL 11 Ca 0.19 -0.77 -0.25 0.00 -1.81 0.00 0.00 61.98 59.34 1ulg s VAL 11 Cb 0.02 -1.41 0.01 0.00 0.56 0.00 0.00 36.38 35.56 1ulg s VAL 11 CO 0.03 0.46 0.88 -0.75 -0.31 0.00 0.00 175.10 175.42 1ulg s LYS 12 N 0.38 3.98 0.44 4.82 2.20 -1.26 -2.17 119.74 128.13 1ulg s LYS 12 Ca -0.14 0.73 -0.25 0.00 -0.36 0.00 0.00 55.97 55.96 1ulg s LYS 12 Cb -0.16 -3.74 -0.08 0.00 -1.51 0.00 0.00 37.83 32.35 1ulg s LYS 12 CO 0.06 -0.76 1.31 -0.51 -0.36 0.00 0.00 175.35 175.09 1ulg s LEU 13 N 3.19 4.11 0.01 5.43 1.43 0.05 -4.94 118.68 127.97 1ulg s LEU 13 Ca 0.37 2.67 -0.25 0.00 -1.03 0.00 0.00 54.13 55.89 1ulg s LEU 13 Cb -0.13 -4.01 -0.18 0.00 0.03 0.00 0.00 46.19 41.89 1ulg s LEU 13 CO 0.14 -1.03 1.38 -0.61 0.23 0.00 0.00 176.35 176.46 1ulg h GLN 14 N 2.35 -0.06 -6.17 1.70 5.75 -1.95 -3.45 115.11 113.27 1ulg h GLN 14 Ca -0.50 0.00 -0.60 0.00 -0.15 0.00 0.00 58.65 57.40 1ulg h GLN 14 Cb 1.26 0.01 -0.13 0.00 1.07 0.00 0.00 27.48 29.69 1ulg h GLN 14 CO 0.61 0.28 -0.73 -0.80 -2.65 0.00 0.00 178.83 175.54 1ulg s ASN 15 N -5.47 3.77 0.38 -0.69 -0.87 -1.26 -5.11 114.94 105.70 1ulg s ASN 15 Ca -0.15 -0.99 -0.27 0.00 -1.57 0.00 0.00 52.86 49.88 1ulg s ASN 15 Cb 0.03 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.25 40.77 1ulg s ASN 15 CO 0.65 -0.00 1.35 -1.81 -2.57 0.00 0.00 177.10 174.72 1ulg s ASP 16 N -3.55 6.42 -0.37 -1.22 1.01 -1.26 -4.94 116.67 112.76 1ulg s ASP 16 Ca 0.31 2.76 -0.26 0.00 0.71 0.00 0.00 52.55 56.06 1ulg s ASP 16 Cb -0.04 -2.65 0.02 0.00 1.01 0.00 0.00 42.92 41.26 1ulg s ASP 16 CO 0.16 -0.78 0.95 0.12 0.21 0.00 0.00 175.17 175.83 1ulg s PHE 17 N -1.19 3.07 0.14 4.23 5.36 0.49 -4.94 117.98 125.13 1ulg s PHE 17 Ca 0.54 0.81 0.02 0.00 -0.96 0.00 0.00 56.93 57.34 1ulg s PHE 17 Cb -0.41 -3.70 -0.01 0.00 -0.34 0.00 0.00 43.02 38.57 1ulg s PHE 17 CO 0.53 -0.85 0.14 0.36 -1.46 0.00 0.00 175.22 173.95 1ulg n LYS 18 N 6.84 0.20 -1.61 10.12 2.85 -1.26 -1.71 118.16 133.60 1ulg n LYS 18 Ca 0.08 -1.31 -0.53 0.00 -1.05 0.00 0.00 58.31 55.50 1ulg n LYS 18 Cb 0.48 1.13 -0.06 0.00 -0.65 0.00 0.00 35.03 35.93 1ulg n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1ulg n PRO 19 N -0.26 1.12 0.00 -1.58 -0.02 -1.26 -0.43 135.00 132.58 1ulg n PRO 19 Ca 0.02 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1ulg n PRO 19 Cb 0.25 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1ulg n PRO 19 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ulg n GLU 20 N 2.89 0.00 -1.63 -0.52 -0.58 0.53 -4.98 120.64 116.36 1ulg n GLU 20 Ca 0.20 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.54 1ulg n GLU 20 Cb 0.18 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.08 1ulg n GLU 20 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1ulg n SER 21 N 0.15 1.32 -3.93 1.62 7.64 0.43 -3.99 113.62 116.86 1ulg n SER 21 Ca 0.00 0.94 -0.20 0.00 1.01 0.00 0.00 58.87 60.62 1ulg n SER 21 Cb 0.00 -1.40 -0.16 0.00 -1.01 0.00 0.00 64.21 61.64 1ulg n SER 21 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ulg s VAL 22 N -1.37 0.61 -0.23 0.44 1.01 -0.15 -1.36 120.40 119.34 1ulg s VAL 22 Ca 0.69 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.48 1ulg s VAL 22 Cb -0.48 -0.60 0.05 0.00 0.00 0.00 0.00 36.38 35.36 1ulg s VAL 22 CO 0.52 0.22 -0.11 0.00 0.00 0.00 0.00 175.10 175.74 1ulg s ALA 23 N 0.61 2.32 -0.42 5.51 0.00 0.10 0.85 121.76 130.74 1ulg s ALA 23 Ca -0.09 -1.51 -0.16 0.00 0.00 0.00 0.00 51.96 50.20 1ulg s ALA 23 Cb -0.12 -1.45 0.02 0.00 0.00 0.00 0.00 23.12 21.57 1ulg s ALA 23 CO 0.01 -1.01 0.37 0.00 0.00 0.00 0.00 175.76 175.12 1ulg s ALA 24 N 1.23 3.45 -0.25 0.00 0.00 0.82 -1.07 121.76 125.95 1ulg s ALA 24 Ca -0.05 -1.62 -0.09 0.00 0.00 0.00 0.00 51.96 50.19 1ulg s ALA 24 Cb -0.18 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1ulg s ALA 24 CO -0.07 -1.53 0.14 0.42 0.00 0.00 0.00 175.76 174.72 1ulg s ILE 25 N 1.91 4.98 -0.00 0.00 1.01 0.63 -0.72 121.20 129.00 1ulg s ILE 25 Ca 0.08 0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.83 1ulg s ILE 25 Cb -0.18 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1ulg s ILE 25 CO 0.12 0.32 -0.12 -0.13 0.00 0.00 0.00 174.94 175.12 1ulg s ARG 26 N 1.42 0.99 0.03 2.79 0.52 0.29 -0.54 118.95 124.44 1ulg s ARG 26 Ca 0.06 -0.48 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 1ulg s ARG 26 Cb -0.15 -0.96 -0.04 0.00 0.52 0.00 0.00 34.95 34.33 1ulg s ARG 26 CO 0.06 0.26 -0.05 0.45 0.02 0.00 0.00 175.30 176.04 1ulg s SER 27 N -0.39 4.71 0.18 0.23 0.15 -0.79 0.14 113.70 117.93 1ulg s SER 27 Ca 0.04 -0.16 0.24 0.00 0.70 0.00 0.00 55.95 56.77 1ulg s SER 27 Cb -0.05 -1.10 0.43 0.00 -1.71 0.00 0.00 66.02 63.59 1ulg s SER 27 CO -0.00 0.25 1.44 0.77 1.20 0.00 0.00 173.24 176.90 1ulg h SER 28 N 4.24 0.00 -5.56 5.45 4.64 -1.85 -3.34 113.55 117.12 1ulg h SER 28 Ca -0.48 -0.11 -0.23 0.00 -0.47 0.00 0.00 61.79 60.49 1ulg h SER 28 Cb 1.17 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.11 1ulg h SER 28 CO 0.55 0.06 -0.62 0.00 -0.87 0.00 0.00 176.83 175.94 1ulg s ALA 29 N -3.18 1.12 -0.25 5.18 0.00 -1.08 -4.56 121.76 119.00 1ulg s ALA 29 Ca 0.07 -1.66 -0.02 0.00 0.00 0.00 0.00 51.96 50.35 1ulg s ALA 29 Cb 0.12 1.31 0.08 0.00 0.00 0.00 0.00 23.12 24.63 1ulg s ALA 29 CO 0.69 -0.58 0.06 0.12 0.00 0.00 0.00 175.76 176.05 1ulg s PHE 30 N -4.14 1.30 -0.67 0.00 5.36 -1.21 -3.86 117.98 114.75 1ulg s PHE 30 Ca 0.37 -1.23 -0.25 0.00 -0.96 0.00 0.00 56.93 54.86 1ulg s PHE 30 Cb 0.07 -1.30 0.05 0.00 -0.34 0.00 0.00 43.02 41.50 1ulg s PHE 30 CO 0.10 -0.74 1.10 -0.80 -1.46 0.00 0.00 175.22 173.42 1ulg s ASN 31 N 1.76 6.21 0.57 6.13 0.01 0.18 -4.89 114.94 124.91 1ulg s ASN 31 Ca 0.03 -0.61 0.32 0.00 -0.71 0.00 0.00 52.86 51.89 1ulg s ASN 31 Cb -0.17 -2.48 1.74 0.00 0.41 0.00 0.00 41.25 40.74 1ulg s ASN 31 CO -0.17 -1.56 2.17 0.28 -1.51 0.00 0.00 177.10 176.32 1ulg h SER 32 N 9.70 0.00 0.19 -1.22 0.02 -1.92 -2.18 113.55 118.14 1ulg h SER 32 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1ulg h SER 32 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1ulg h SER 32 CO 1.21 0.05 -0.65 0.29 -1.14 0.00 0.00 176.83 176.59 1ulg n LYS 33 N -3.54 0.30 -1.49 3.45 5.02 -1.26 -4.99 118.16 115.64 1ulg n LYS 33 Ca -0.02 -0.22 -0.38 0.00 -2.02 0.00 0.00 58.31 55.67 1ulg n LYS 33 Cb 0.17 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.72 1ulg n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ulg n GLY 34 N 1.47 -1.28 0.00 0.72 0.00 -0.82 -5.02 105.19 100.25 1ulg n GLY 34 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ulg n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ulg n GLY 35 N 1.69 1.19 3.69 -0.02 0.00 -0.15 -4.77 105.19 106.82 1ulg n GLY 35 Ca 0.12 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 1ulg n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ulg n THR 36 N 0.00 0.45 -5.17 2.61 -1.04 -1.26 -4.34 114.28 105.52 1ulg n THR 36 Ca 0.00 -0.08 -0.32 0.00 -2.04 0.00 0.00 64.05 61.61 1ulg n THR 36 Cb 0.00 -2.18 -0.17 0.00 -1.82 0.00 0.00 70.33 66.16 1ulg n THR 36 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ulg s THR 37 N 3.08 2.17 0.07 12.58 2.01 -0.41 -4.31 115.64 130.83 1ulg s THR 37 Ca 0.83 -0.98 0.08 0.00 0.31 0.00 0.00 61.69 61.93 1ulg s THR 37 Cb -0.46 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 1ulg s THR 37 CO 0.38 0.56 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.95 1ulg s VAL 38 N 0.33 1.81 -0.06 3.82 1.01 0.19 -0.31 120.40 127.18 1ulg s VAL 38 Ca -0.18 -1.36 0.02 0.00 0.00 0.00 0.00 61.98 60.46 1ulg s VAL 38 Cb -0.18 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1ulg s VAL 38 CO 0.09 0.16 -0.09 -0.36 0.00 0.00 0.00 175.10 174.89 1ulg s PHE 39 N -0.91 1.23 -0.06 5.22 0.40 -0.55 -0.87 117.98 122.45 1ulg s PHE 39 Ca 0.08 -0.44 0.05 0.00 -0.60 0.00 0.00 56.93 56.02 1ulg s PHE 39 Cb -0.09 -0.95 -0.00 0.00 0.51 0.00 0.00 43.02 42.48 1ulg s PHE 39 CO 0.03 -0.26 -0.21 -0.80 0.70 0.00 0.00 175.22 174.68 1ulg s ASN 40 N 0.81 2.59 -0.30 1.36 0.01 0.17 -1.53 114.94 118.06 1ulg s ASN 40 Ca -0.12 -0.44 -0.11 0.00 -0.71 0.00 0.00 52.86 51.47 1ulg s ASN 40 Cb -0.15 -0.85 -0.04 0.00 0.41 0.00 0.00 41.25 40.62 1ulg s ASN 40 CO 0.02 0.17 0.20 -0.36 -1.51 0.00 0.00 177.10 175.62 1ulg s PHE 41 N 0.09 3.22 0.08 2.20 0.40 -0.26 0.89 117.98 124.60 1ulg s PHE 41 Ca -0.08 0.02 0.06 0.00 -0.60 0.00 0.00 56.93 56.33 1ulg s PHE 41 Cb -0.14 -2.40 -0.04 0.00 0.51 0.00 0.00 43.02 40.95 1ulg s PHE 41 CO 0.04 -0.22 -0.06 -0.51 0.70 0.00 0.00 175.22 175.17 1ulg s LEU 42 N 1.75 3.19 0.72 -0.37 1.43 0.64 -1.41 118.68 124.63 1ulg s LEU 42 Ca 0.07 -0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 1ulg s LEU 42 Cb -0.16 -1.94 0.06 0.00 0.03 0.00 0.00 46.19 44.18 1ulg s LEU 42 CO 0.11 0.20 1.04 -0.94 0.23 0.00 0.00 176.35 176.98 1ulg s SER 43 N -2.09 4.78 0.48 2.29 1.04 -0.37 0.96 113.70 120.80 1ulg s SER 43 Ca 0.22 0.52 0.14 0.00 0.48 0.00 0.00 55.95 57.31 1ulg s SER 43 Cb -0.11 -1.15 1.12 0.00 0.10 0.00 0.00 66.02 65.98 1ulg s SER 43 CO 0.14 -1.64 2.08 0.00 0.98 0.00 0.00 173.24 174.81 1ulg h ALA 44 N -0.67 1.85 0.00 5.32 0.00 -1.91 0.37 119.26 124.23 1ulg h ALA 44 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ulg h ALA 44 Cb 1.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ulg h ALA 44 CO 0.61 0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1ulg n GLY 45 N -1.35 -0.95 2.33 0.00 0.00 -1.26 -4.85 105.19 99.11 1ulg n GLY 45 Ca -0.02 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1ulg n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ulg n GLU 46 N -0.74 -1.01 -2.90 1.61 1.02 0.13 -4.74 120.64 114.02 1ulg n GLU 46 Ca 0.11 0.84 -0.37 0.00 -0.02 0.00 0.00 57.16 57.72 1ulg n GLU 46 Cb 0.05 -5.00 -0.06 0.00 -0.02 0.00 0.00 31.44 26.41 1ulg n GLU 46 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ulg s ASN 47 N -2.64 7.27 -0.80 1.62 0.01 -1.26 -4.19 114.94 114.95 1ulg s ASN 47 Ca 0.00 1.69 -0.21 0.00 -0.71 0.00 0.00 52.86 53.63 1ulg s ASN 47 Cb 0.00 -2.52 0.09 0.00 0.41 0.00 0.00 41.25 39.23 1ulg s ASN 47 CO 0.00 0.00 1.07 -0.63 -1.51 0.00 0.00 177.10 176.04 1ulg s ILE 48 N -1.52 4.46 0.03 0.60 1.01 -0.48 -1.23 121.20 124.07 1ulg s ILE 48 Ca 0.46 -0.91 -0.28 0.00 0.00 0.00 0.00 60.65 59.93 1ulg s ILE 48 Cb -0.19 -4.76 -0.17 0.00 0.01 0.00 0.00 42.46 37.36 1ulg s ILE 48 CO 0.24 -1.52 1.39 -0.07 0.00 0.00 0.00 174.94 174.97 1ulg h LEU 49 N 11.07 -0.50 -8.10 2.97 3.38 -1.48 -2.44 115.31 120.21 1ulg h LEU 49 Ca -0.06 -0.08 -0.62 0.00 0.09 0.00 0.00 57.88 57.21 1ulg h LEU 49 Cb 1.05 0.13 -0.34 0.00 0.09 0.00 0.00 40.66 41.58 1ulg h LEU 49 CO 1.17 -0.21 -0.85 -0.22 0.09 0.00 0.00 178.44 178.42 1ulg s LEU 50 N -9.74 1.88 -0.12 1.67 2.96 -1.18 -4.53 118.68 109.62 1ulg s LEU 50 Ca -0.15 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.29 1ulg s LEU 50 Cb 0.03 -1.23 0.00 0.00 0.50 0.00 0.00 46.19 45.49 1ulg s LEU 50 CO 0.56 0.05 -0.21 -2.28 -1.32 0.00 0.00 176.35 173.16 1ulg s HIS 51 N 0.85 2.66 -0.21 5.38 5.65 0.05 -1.10 115.29 128.57 1ulg s HIS 51 Ca -0.08 -1.08 -0.01 0.00 0.25 0.00 0.00 55.06 54.14 1ulg s HIS 51 Cb -0.15 -1.78 0.06 0.00 -1.18 0.00 0.00 32.58 29.52 1ulg s HIS 51 CO -0.00 -0.45 -0.03 0.42 -0.65 0.00 0.00 174.74 174.03 1ulg s ILE 52 N 0.54 1.16 -0.32 0.89 1.01 -0.58 -1.52 121.20 122.39 1ulg s ILE 52 Ca -0.13 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.56 1ulg s ILE 52 Cb -0.17 -1.48 0.05 0.00 0.01 0.00 0.00 42.46 40.87 1ulg s ILE 52 CO 0.04 -0.10 0.04 -0.55 0.00 0.00 0.00 174.94 174.37 1ulg s SER 53 N 1.57 5.04 -0.28 3.58 0.15 0.80 -1.48 113.70 123.08 1ulg s SER 53 Ca -0.03 -1.26 -0.19 0.00 0.70 0.00 0.00 55.95 55.16 1ulg s SER 53 Cb -0.18 -1.77 -0.02 0.00 -1.71 0.00 0.00 66.02 62.35 1ulg s SER 53 CO -0.07 -0.29 0.58 -0.63 1.20 0.00 0.00 173.24 174.02 1ulg s ILE 54 N 1.30 5.00 -0.45 6.45 1.01 0.58 -0.09 121.20 134.99 1ulg s ILE 54 Ca -0.04 0.86 0.04 0.00 0.00 0.00 0.00 60.65 61.51 1ulg s ILE 54 Cb -0.20 -3.92 0.12 0.00 0.01 0.00 0.00 42.46 38.47 1ulg s ILE 54 CO 0.00 -0.04 0.19 -0.13 0.00 0.00 0.00 174.94 174.96 1ulg s ARG 55 N 2.46 1.72 0.29 2.79 0.52 0.60 -1.29 118.95 126.04 1ulg s ARG 55 Ca 0.23 -2.29 -0.02 0.00 -0.52 0.00 0.00 55.73 53.13 1ulg s ARG 55 Cb -0.15 -3.15 0.42 0.00 0.52 0.00 0.00 34.95 32.59 1ulg s ARG 55 CO 0.10 -1.06 1.95 -1.35 0.02 0.00 0.00 175.30 174.96 1ulg h PRO 56 N 6.91 1.13 0.34 3.54 0.11 -1.84 -1.75 132.00 140.44 1ulg h PRO 56 Ca -0.06 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1ulg h PRO 56 Cb 0.94 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 1ulg h PRO 56 CO 0.61 0.75 -0.38 0.78 -0.21 0.00 0.00 178.00 179.55 1ulg h GLY 57 N 1.16 -1.13 0.46 -0.55 0.00 -1.93 -1.99 103.07 99.09 1ulg h GLY 57 Ca 0.34 0.53 0.00 0.00 0.00 0.00 0.00 47.33 48.20 1ulg h GLY 57 CO -0.09 -0.34 0.00 -2.21 0.00 0.00 0.00 176.54 173.90 1ulg n GLU 58 N -4.69 0.64 -4.00 4.80 2.13 -1.17 -4.86 120.64 113.49 1ulg n GLU 58 Ca -0.09 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.44 1ulg n GLU 58 Cb 0.34 -1.23 -0.01 0.00 0.27 0.00 0.00 31.44 30.81 1ulg n GLU 58 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1ulg n ASN 59 N -0.73 -2.04 -3.84 4.31 5.15 -0.73 -4.92 115.26 112.46 1ulg n ASN 59 Ca 0.07 -0.95 -0.09 0.00 -0.60 0.00 0.00 54.58 53.01 1ulg n ASN 59 Cb 0.03 -3.22 -0.07 0.00 -0.53 0.00 0.00 39.78 35.99 1ulg n ASN 59 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1ulg s VAL 60 N -3.63 0.13 -0.14 3.44 -7.23 -0.78 -1.13 120.40 111.05 1ulg s VAL 60 Ca 0.33 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 1ulg s VAL 60 Cb -0.17 -1.20 0.03 0.00 0.56 0.00 0.00 36.38 35.59 1ulg s VAL 60 CO 0.88 -0.58 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.35 1ulg s ILE 61 N -3.45 1.39 -0.14 -0.62 1.01 -0.47 -0.29 121.20 118.64 1ulg s ILE 61 Ca 0.02 -0.57 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 1ulg s ILE 61 Cb 0.03 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 1ulg s ILE 61 CO -0.09 0.38 0.09 -0.69 0.00 0.00 0.00 174.94 174.63 1ulg s VAL 62 N 1.55 5.05 -0.10 2.92 1.01 0.87 -2.17 120.40 129.53 1ulg s VAL 62 Ca 0.04 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1ulg s VAL 62 Cb -0.13 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 1ulg s VAL 62 CO -0.10 0.56 -0.22 -0.36 0.00 0.00 0.00 175.10 174.99 1ulg s PHE 63 N -0.52 2.60 0.31 5.22 0.40 0.01 -0.14 117.98 125.86 1ulg s PHE 63 Ca 0.11 -0.91 -0.07 0.00 -0.60 0.00 0.00 56.93 55.46 1ulg s PHE 63 Cb -0.12 -1.72 0.03 0.00 0.51 0.00 0.00 43.02 41.72 1ulg s PHE 63 CO 0.02 -0.34 0.53 -1.71 0.70 0.00 0.00 175.22 174.42 1ulg n ASN 64 N 3.43 -1.52 -3.82 1.36 2.85 -0.57 -2.22 115.26 114.77 1ulg n ASN 64 Ca -0.19 -2.48 -0.10 0.00 -0.11 0.00 0.00 54.58 51.71 1ulg n ASN 64 Cb 0.53 2.65 -0.07 0.00 1.24 0.00 0.00 39.78 44.12 1ulg n ASN 64 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1ulg s SER 65 N -2.79 0.02 -0.05 1.20 0.01 -1.26 -0.77 113.70 110.07 1ulg s SER 65 Ca 0.19 -0.46 -0.30 0.00 1.31 0.00 0.00 55.95 56.69 1ulg s SER 65 Cb -0.02 0.34 0.11 0.00 0.21 0.00 0.00 66.02 66.66 1ulg s SER 65 CO 0.14 -0.67 0.96 0.00 0.41 0.00 0.00 173.24 174.08 1ulg s ARG 66 N -3.24 0.70 0.45 12.44 1.70 -0.92 -3.33 118.95 126.75 1ulg s ARG 66 Ca 0.00 -0.26 -0.07 0.00 -0.47 0.00 0.00 55.73 54.93 1ulg s ARG 66 Cb 0.02 0.32 -0.05 0.00 -0.57 0.00 0.00 34.95 34.67 1ulg s ARG 66 CO -0.08 -0.31 0.78 -0.51 -1.08 0.00 0.00 175.30 174.10 1ulg s LEU 67 N -2.41 3.71 0.12 -1.89 1.43 -1.26 -1.39 118.68 116.99 1ulg s LEU 67 Ca 0.06 1.01 -0.34 0.00 -1.03 0.00 0.00 54.13 53.84 1ulg s LEU 67 Cb -0.01 -3.93 -0.12 0.00 0.03 0.00 0.00 46.19 42.15 1ulg s LEU 67 CO -0.08 -0.50 1.55 0.50 0.23 0.00 0.00 176.35 178.05 1ulg h LYS 68 N 0.67 -0.51 -2.99 1.70 3.64 -1.85 -0.95 116.57 116.28 1ulg h LYS 68 Ca -0.47 0.03 -0.74 0.00 -1.27 0.00 0.00 60.65 58.20 1ulg h LYS 68 Cb 1.20 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 33.01 1ulg h LYS 68 CO 0.63 -0.34 2.38 0.27 -2.27 0.00 0.00 179.45 180.12 1ulg n ASN 69 N -5.41 6.92 -3.98 4.20 0.23 -1.26 -4.94 115.26 111.03 1ulg n ASN 69 Ca -0.05 -3.09 -0.09 0.00 -0.53 0.00 0.00 54.58 50.81 1ulg n ASN 69 Cb 0.37 -1.42 -0.05 0.00 -2.08 0.00 0.00 39.78 36.59 1ulg n ASN 69 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1ulg s GLY 70 N 0.71 0.61 0.35 4.83 0.00 -0.36 -5.16 107.32 108.29 1ulg s GLY 70 Ca 0.50 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 44.32 1ulg s GLY 70 CO -0.06 -0.67 0.51 0.00 0.00 0.00 0.00 173.10 172.88 1ulg s ALA 71 N -3.98 4.02 0.20 3.20 0.00 -1.26 -4.74 121.76 119.19 1ulg s ALA 71 Ca 0.23 -1.27 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 1ulg s ALA 71 Cb -0.00 -1.84 -0.08 0.00 0.00 0.00 0.00 23.12 21.19 1ulg s ALA 71 CO 0.10 -0.08 1.06 -1.58 0.00 0.00 0.00 175.76 175.25 1ulg s TRP 72 N -2.25 3.69 0.00 0.00 0.52 -1.26 -4.61 118.94 115.02 1ulg s TRP 72 Ca 0.44 1.70 0.00 0.00 0.02 0.00 0.00 56.10 58.26 1ulg s TRP 72 Cb -0.10 -3.20 0.00 0.00 -1.15 0.00 0.00 33.47 29.02 1ulg s TRP 72 CO 0.33 -0.31 0.00 0.41 0.02 0.00 0.00 176.95 177.40 1ulg n GLY 73 N 1.79 -1.30 3.76 0.98 0.00 -1.21 -4.98 105.19 104.23 1ulg n GLY 73 Ca 0.01 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 1ulg n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ulg s PRO 74 N -2.87 3.65 0.17 1.61 0.04 -1.26 -4.92 135.00 131.42 1ulg s PRO 74 Ca 0.00 2.12 -0.17 0.00 0.04 0.00 0.00 61.00 62.98 1ulg s PRO 74 Cb 0.00 -2.52 -0.07 0.00 0.04 0.00 0.00 34.50 31.94 1ulg s PRO 74 CO 0.00 -0.74 0.63 -1.21 0.04 0.00 0.00 177.00 175.72 1ulg s GLU 75 N -2.56 4.12 -0.30 4.56 2.02 -1.26 -4.85 118.70 120.44 1ulg s GLU 75 Ca 0.63 0.68 -0.00 0.00 0.02 0.00 0.00 54.97 56.30 1ulg s GLU 75 Cb -0.37 -2.94 0.06 0.00 0.10 0.00 0.00 34.13 30.98 1ulg s GLU 75 CO 0.46 0.46 -0.02 -1.21 0.02 0.00 0.00 175.26 174.97 1ulg s GLU 76 N -1.87 2.28 0.13 1.61 2.02 -0.94 -5.00 118.70 116.93 1ulg s GLU 76 Ca 0.39 -1.37 0.09 0.00 0.02 0.00 0.00 54.97 54.11 1ulg s GLU 76 Cb -0.16 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 1ulg s GLU 76 CO 0.20 -0.65 -0.23 -0.98 0.02 0.00 0.00 175.26 173.62 1ulg s ARG 77 N 1.18 1.27 0.09 1.61 1.70 -1.26 -0.81 118.95 122.72 1ulg s ARG 77 Ca -0.04 -1.29 0.02 0.00 -0.47 0.00 0.00 55.73 53.95 1ulg s ARG 77 Cb -0.20 -1.58 -0.04 0.00 -0.57 0.00 0.00 34.95 32.56 1ulg s ARG 77 CO -0.03 0.36 -0.08 0.96 -1.08 0.00 0.00 175.30 175.44 1ulg s ILE 78 N -1.30 0.75 0.40 4.99 -4.36 -0.92 -4.99 121.20 115.78 1ulg s ILE 78 Ca 0.11 -1.77 -0.27 0.00 -0.26 0.00 0.00 60.65 58.46 1ulg s ILE 78 Cb -0.09 -1.48 -0.10 0.00 1.25 0.00 0.00 42.46 42.03 1ulg s ILE 78 CO 0.06 -0.74 1.43 -2.16 0.24 0.00 0.00 174.94 173.77 1ulg s PRO 79 N -3.32 3.98 0.16 0.37 0.04 -1.26 -1.37 135.00 133.61 1ulg s PRO 79 Ca 0.08 2.45 -0.08 0.00 0.04 0.00 0.00 61.00 63.49 1ulg s PRO 79 Cb 0.01 -2.86 0.03 0.00 0.04 0.00 0.00 34.50 31.73 1ulg s PRO 79 CO -0.03 -0.59 1.49 -0.92 0.04 0.00 0.00 177.00 176.99 1ulg h TYR 80 N 2.78 0.97 -3.29 0.56 3.20 -1.39 -3.43 116.97 116.38 1ulg h TYR 80 Ca -0.51 -0.31 -0.58 0.00 3.14 0.00 0.00 58.73 60.48 1ulg h TYR 80 Cb 1.25 -0.20 0.15 0.00 1.54 0.00 0.00 36.73 39.47 1ulg h TYR 80 CO 0.52 1.09 0.05 0.00 -1.64 0.00 0.00 178.16 178.18 1ulg n ALA 81 N -2.54 -0.05 -3.71 1.82 0.00 -1.26 -3.69 120.51 111.09 1ulg n ALA 81 Ca -0.03 0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.25 1ulg n ALA 81 Cb 0.56 -2.05 0.05 0.00 0.00 0.00 0.00 19.45 18.02 1ulg n ALA 81 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ulg n GLU 82 N -0.42 -6.41 -0.01 0.00 1.02 -1.26 -4.91 120.64 108.65 1ulg n GLU 82 Ca 0.12 0.71 -0.01 0.00 -0.02 0.00 0.00 57.16 57.96 1ulg n GLU 82 Cb 0.44 -5.62 -0.00 0.00 -0.02 0.00 0.00 31.44 26.24 1ulg n GLU 82 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ulg n LYS 83 N -4.66 0.03 -4.15 3.49 4.76 -1.24 -4.12 118.16 112.28 1ulg n LYS 83 Ca -0.07 0.01 -0.34 0.00 -2.87 0.00 0.00 58.31 55.03 1ulg n LYS 83 Cb 0.58 -0.98 -0.08 0.00 -1.84 0.00 0.00 35.03 32.72 1ulg n LYS 83 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ulg s PHE 84 N -2.02 3.30 -0.42 2.13 0.40 -1.26 0.90 117.98 121.00 1ulg s PHE 84 Ca -0.01 0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.55 1ulg s PHE 84 Cb 0.00 -1.79 0.11 0.00 0.51 0.00 0.00 43.02 41.86 1ulg s PHE 84 CO 0.02 0.56 0.21 0.50 0.70 0.00 0.00 175.22 177.22 1ulg s ARG 85 N -1.36 2.02 0.94 0.44 3.52 -1.26 -4.88 118.95 118.36 1ulg s ARG 85 Ca 0.19 -1.88 -0.12 0.00 -0.13 0.00 0.00 55.73 53.78 1ulg s ARG 85 Cb -0.12 -3.57 0.15 0.00 -1.56 0.00 0.00 34.95 29.85 1ulg s ARG 85 CO 0.09 -1.08 1.11 -1.25 -0.81 0.00 0.00 175.30 173.36 1ulg s PRO 86 N 1.03 0.93 0.00 5.12 0.04 -1.26 -2.50 135.00 138.36 1ulg s PRO 86 Ca 0.09 0.49 0.28 0.00 0.04 0.00 0.00 61.00 61.90 1ulg s PRO 86 Cb -0.22 -1.80 1.12 0.00 0.04 0.00 0.00 34.50 33.64 1ulg s PRO 86 CO -0.04 -2.38 1.79 -0.35 0.04 0.00 0.00 177.00 176.06 1ulg n PRO 87 N -3.93 0.76 -3.19 0.56 -0.04 -1.26 -4.83 135.00 123.07 1ulg n PRO 87 Ca 0.06 -0.32 -0.30 0.00 -0.04 0.00 0.00 63.50 62.90 1ulg n PRO 87 Cb 0.58 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 1ulg n PRO 87 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ulg n ASN 88 N -0.84 4.56 -4.75 3.54 5.03 -1.21 -2.62 115.26 118.97 1ulg n ASN 88 Ca 0.14 -3.52 -0.34 0.00 0.87 0.00 0.00 54.58 51.73 1ulg n ASN 88 Cb 0.29 -0.76 0.06 0.00 -1.02 0.00 0.00 39.78 38.35 1ulg n ASN 88 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1ulg s PRO 89 N -2.90 2.60 0.30 3.52 0.04 -1.04 -4.68 135.00 132.84 1ulg s PRO 89 Ca 0.41 1.65 0.03 0.00 0.04 0.00 0.00 61.00 63.13 1ulg s PRO 89 Cb 0.17 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.76 1ulg s PRO 89 CO -0.03 -1.46 0.11 -1.54 0.04 0.00 0.00 177.00 174.12 1ulg s SER 90 N -2.09 1.72 -0.23 6.66 1.04 -1.26 -1.89 113.70 117.65 1ulg s SER 90 Ca 0.73 -1.48 -0.08 0.00 0.48 0.00 0.00 55.95 55.60 1ulg s SER 90 Cb -0.26 0.24 0.10 0.00 0.10 0.00 0.00 66.02 66.19 1ulg s SER 90 CO 0.40 -0.79 0.50 -0.63 0.98 0.00 0.00 173.24 173.71 1ulg s ILE 91 N -3.56 -0.75 -0.14 -1.02 1.01 0.29 -4.16 121.20 112.88 1ulg s ILE 91 Ca 0.35 0.11 -0.00 0.00 0.00 0.00 0.00 60.65 61.10 1ulg s ILE 91 Cb 0.06 -0.78 -0.01 0.00 0.01 0.00 0.00 42.46 41.74 1ulg s ILE 91 CO 0.15 0.05 -0.13 -0.89 0.00 0.00 0.00 174.94 174.12 1ulg s THR 92 N 2.68 3.02 -0.09 2.92 2.01 0.55 -0.27 115.64 126.46 1ulg s THR 92 Ca -0.03 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.34 1ulg s THR 92 Cb -0.12 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 1ulg s THR 92 CO -0.15 0.51 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.40 1ulg s VAL 93 N 0.52 2.40 -0.04 3.82 1.01 -0.23 -0.69 120.40 127.18 1ulg s VAL 93 Ca -0.09 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1ulg s VAL 93 Cb -0.16 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1ulg s VAL 93 CO 0.04 0.56 -0.07 -0.63 0.00 0.00 0.00 175.10 175.00 1ulg s ILE 94 N 0.03 0.73 -0.38 2.22 1.01 -0.33 0.02 121.20 124.51 1ulg s ILE 94 Ca -0.08 -0.26 -0.22 0.00 0.00 0.00 0.00 60.65 60.09 1ulg s ILE 94 Cb -0.15 -0.70 0.01 0.00 0.01 0.00 0.00 42.46 41.63 1ulg s ILE 94 CO 0.05 0.26 0.71 -0.62 0.00 0.00 0.00 174.94 175.34 1ulg s ASP 95 N 0.67 6.46 -0.18 3.58 -1.08 -0.47 -0.20 116.67 125.45 1ulg s ASP 95 Ca -0.11 0.15 0.16 0.00 -0.52 0.00 0.00 52.55 52.23 1ulg s ASP 95 Cb -0.13 -2.36 0.68 0.00 -1.46 0.00 0.00 42.92 39.65 1ulg s ASP 95 CO 0.01 -0.70 1.60 1.41 0.52 0.00 0.00 175.17 178.01 1ulg n HIS 96 N 6.29 1.51 0.00 -5.34 8.25 0.66 -0.34 115.22 126.25 1ulg n HIS 96 Ca 0.01 -0.74 0.00 0.00 -0.26 0.00 0.00 57.72 56.73 1ulg n HIS 96 Cb 0.48 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1ulg n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ulg n GLY 97 N 0.35 2.03 0.10 -1.41 0.00 -1.26 -4.30 105.19 100.71 1ulg n GLY 97 Ca 0.24 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 46.01 1ulg n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ulg n ASP 98 N 3.90 0.75 -3.70 1.61 5.68 -1.26 -4.94 116.55 118.60 1ulg n ASP 98 Ca 0.00 0.29 -0.10 0.00 -0.50 0.00 0.00 54.79 54.48 1ulg n ASP 98 Cb 0.00 0.61 -0.05 0.00 -1.14 0.00 0.00 41.12 40.54 1ulg n ASP 98 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ulg s ARG 99 N -3.35 1.14 -0.13 0.11 1.70 -1.26 -1.34 118.95 115.83 1ulg s ARG 99 Ca -0.02 -0.80 -0.08 0.00 -0.47 0.00 0.00 55.73 54.36 1ulg s ARG 99 Cb 0.10 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.90 1ulg s ARG 99 CO 0.81 -0.45 0.17 -0.06 -1.08 0.00 0.00 175.30 174.68 1ulg s PHE 100 N -3.84 3.57 -0.09 5.89 0.40 -0.38 -0.24 117.98 123.28 1ulg s PHE 100 Ca 0.06 0.54 -0.10 0.00 -0.60 0.00 0.00 56.93 56.82 1ulg s PHE 100 Cb 0.01 -2.02 -0.05 0.00 0.51 0.00 0.00 43.02 41.47 1ulg s PHE 100 CO -0.09 0.63 0.23 -1.14 0.70 0.00 0.00 175.22 175.56 1ulg s GLN 101 N -0.72 3.70 -0.14 0.44 0.74 0.72 -1.85 119.66 122.53 1ulg s GLN 101 Ca 0.15 0.05 -0.01 0.00 0.05 0.00 0.00 55.36 55.59 1ulg s GLN 101 Cb -0.12 -3.23 0.04 0.00 1.10 0.00 0.00 33.01 30.79 1ulg s GLN 101 CO 0.04 0.68 -0.04 0.42 -0.55 0.00 0.00 175.29 175.83 1ulg s ILE 102 N -0.83 0.93 -0.06 -2.34 1.01 0.14 -1.19 121.20 118.87 1ulg s ILE 102 Ca 0.17 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.43 1ulg s ILE 102 Cb -0.13 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 1ulg s ILE 102 CO 0.06 0.17 -0.18 -0.13 0.00 0.00 0.00 174.94 174.87 1ulg s ARG 103 N 1.72 2.62 0.00 2.79 1.81 0.13 -0.69 118.95 127.33 1ulg s ARG 103 Ca 0.02 -0.77 0.00 0.00 -1.72 0.00 0.00 55.73 53.26 1ulg s ARG 103 Cb -0.14 -2.33 0.00 0.00 -0.45 0.00 0.00 34.95 32.03 1ulg s ARG 103 CO -0.07 0.49 0.00 1.19 -0.68 0.00 0.00 175.30 176.22 1ulg n PHE 104 N 2.69 0.00 0.00 -0.53 3.01 -1.26 -0.33 117.46 121.04 1ulg n PHE 104 Ca -0.17 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.12 1ulg n PHE 104 Cb 0.52 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.85 1ulg n PHE 104 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1ulg h ASP 105 N 0.00 0.28 -2.69 4.37 3.32 0.35 -3.46 116.42 118.59 1ulg h ASP 105 Ca 0.00 -0.60 -0.61 0.00 0.02 0.00 0.00 57.03 55.84 1ulg h ASP 105 Cb 0.00 -0.09 -0.13 0.00 0.22 0.00 0.00 39.33 39.33 1ulg h ASP 105 CO 0.00 1.54 -0.71 -0.31 -1.72 0.00 0.00 179.24 178.03 1ulg s TYR 106 N -2.58 2.58 0.00 4.55 4.12 -0.21 -4.95 117.35 120.87 1ulg s TYR 106 Ca -0.15 -0.25 0.00 0.00 0.02 0.00 0.00 57.07 56.69 1ulg s TYR 106 Cb 0.07 -1.21 0.00 0.00 -1.52 0.00 0.00 41.96 39.30 1ulg s TYR 106 CO 0.80 0.57 0.00 0.41 0.02 0.00 0.00 175.55 177.35 1ulg n GLY 107 N -0.29 -2.17 3.89 0.71 0.00 -1.26 -4.57 105.19 101.49 1ulg n GLY 107 Ca -0.09 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 1ulg n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ulg s THR 108 N -0.31 3.66 0.64 2.61 -4.23 -1.26 -4.92 115.64 111.82 1ulg s THR 108 Ca 0.00 0.40 -0.15 0.00 -1.18 0.00 0.00 61.69 60.76 1ulg s THR 108 Cb 0.00 -3.51 -0.01 0.00 1.34 0.00 0.00 72.50 70.31 1ulg s THR 108 CO 0.00 -0.64 1.09 -0.44 -0.54 0.00 0.00 174.62 174.09 1ulg s SER 109 N -4.33 5.32 -0.09 3.99 0.01 -1.26 -4.82 113.70 112.51 1ulg s SER 109 Ca 0.57 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.77 1ulg s SER 109 Cb -0.11 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 1ulg s SER 109 CO 0.50 -1.49 -0.09 -0.63 0.41 0.00 0.00 173.24 171.95 1ulg s ILE 110 N -2.38 3.48 -0.15 1.44 1.09 0.13 -4.93 121.20 119.88 1ulg s ILE 110 Ca 0.66 -0.54 -0.00 0.00 -1.10 0.00 0.00 60.65 59.67 1ulg s ILE 110 Cb -0.19 -2.44 -0.01 0.00 -1.06 0.00 0.00 42.46 38.76 1ulg s ILE 110 CO 0.40 0.56 -0.13 -0.31 -0.10 0.00 0.00 174.94 175.36 1ulg s TYR 111 N -0.32 2.81 -0.22 3.97 1.51 -1.26 0.28 117.35 124.12 1ulg s TYR 111 Ca 0.04 -0.91 0.01 0.00 -1.01 0.00 0.00 57.07 55.20 1ulg s TYR 111 Cb -0.13 -1.90 0.03 0.00 -0.11 0.00 0.00 41.96 39.86 1ulg s TYR 111 CO 0.02 -0.40 -0.13 -0.47 -1.11 0.00 0.00 175.55 173.46 1ulg s TYR 112 N 0.74 3.01 0.12 2.71 5.04 -0.77 -4.99 117.35 123.20 1ulg s TYR 112 Ca -0.06 -1.81 -0.30 0.00 -2.44 0.00 0.00 57.07 52.46 1ulg s TYR 112 Cb -0.15 -1.97 -0.07 0.00 0.35 0.00 0.00 41.96 40.12 1ulg s TYR 112 CO 0.01 -0.80 1.17 -0.80 -1.34 0.00 0.00 175.55 173.79 1ulg s ASN 113 N 1.25 7.13 0.32 4.32 0.02 -1.26 -1.25 114.94 125.47 1ulg s ASN 113 Ca -0.00 2.09 -0.28 0.00 -1.02 0.00 0.00 52.86 53.64 1ulg s ASN 113 Cb -0.16 -2.59 -0.13 0.00 0.02 0.00 0.00 41.25 38.39 1ulg s ASN 113 CO -0.08 -0.38 1.21 0.29 0.02 0.00 0.00 177.10 178.16 1ulg n LYS 114 N 3.15 1.87 -0.03 -0.60 5.02 -0.45 -4.93 118.16 122.19 1ulg n LYS 114 Ca 0.06 0.65 -0.02 0.00 -2.02 0.00 0.00 58.31 56.98 1ulg n LYS 114 Cb 0.46 -2.17 -0.05 0.00 -0.02 0.00 0.00 35.03 33.25 1ulg n LYS 114 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ulg n ARG 115 N 0.71 2.71 -4.10 1.97 1.74 -1.26 -4.96 116.66 113.48 1ulg n ARG 115 Ca 0.07 -0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.81 1ulg n ARG 115 Cb 0.34 -1.15 -0.16 0.00 -1.02 0.00 0.00 32.46 30.47 1ulg n ARG 115 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ulg s ILE 116 N -2.18 1.99 -1.09 0.55 1.01 -1.26 -5.04 121.20 115.18 1ulg s ILE 116 Ca -0.03 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 59.56 1ulg s ILE 116 Cb 0.02 -1.84 -0.07 0.00 0.01 0.00 0.00 42.46 40.58 1ulg s ILE 116 CO 0.24 0.47 2.27 1.17 0.00 0.00 0.00 174.94 179.09 1ulg n LYS 117 N 4.63 2.40 -3.93 2.79 3.00 -1.26 -4.84 118.16 120.94 1ulg n LYS 117 Ca -0.20 -1.79 -0.10 0.00 -0.00 0.00 0.00 58.31 56.22 1ulg n LYS 117 Cb 0.49 -2.69 -0.12 0.00 0.00 0.00 0.00 35.03 32.71 1ulg n LYS 117 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1ulg s GLU 118 N 3.40 0.17 0.52 1.64 2.02 -1.26 -5.15 118.70 120.05 1ulg s GLU 118 Ca 0.50 -0.33 -0.16 0.00 0.02 0.00 0.00 54.97 54.99 1ulg s GLU 118 Cb 0.13 0.05 -0.07 0.00 0.10 0.00 0.00 34.13 34.34 1ulg s GLU 118 CO -0.02 -0.02 0.99 -0.80 0.02 0.00 0.00 175.26 175.43 1ulg s ASN 119 N -0.79 6.54 0.12 -0.19 0.01 -1.26 -4.96 114.94 114.41 1ulg s ASN 119 Ca -0.09 1.59 -0.19 0.00 -0.71 0.00 0.00 52.86 53.47 1ulg s ASN 119 Cb -0.05 -2.51 -0.07 0.00 0.41 0.00 0.00 41.25 39.02 1ulg s ASN 119 CO -0.01 -0.64 0.61 0.00 -1.51 0.00 0.00 177.10 175.55 1ulg s ALA 120 N -2.61 3.55 -0.26 0.60 0.00 -0.69 -4.39 121.76 117.95 1ulg s ALA 120 Ca 0.59 0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.69 1ulg s ALA 120 Cb -0.10 -2.67 -0.09 0.00 0.00 0.00 0.00 23.12 20.25 1ulg s ALA 120 CO 0.32 0.39 0.28 0.00 0.00 0.00 0.00 175.76 176.75 1ulg n ALA 121 N 1.41 2.80 -2.70 0.00 0.00 0.27 -0.38 120.51 121.90 1ulg n ALA 121 Ca -0.08 -0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 1ulg n ALA 121 Cb 0.51 -0.28 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 1ulg n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulg s ALA 122 N -1.96 -0.21 -0.08 0.00 0.00 -0.89 -0.77 121.76 117.85 1ulg s ALA 122 Ca 0.01 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1ulg s ALA 122 Cb 0.06 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.90 1ulg s ALA 122 CO 0.32 -0.60 -0.02 0.42 0.00 0.00 0.00 175.76 175.88 1ulg s ILE 123 N -3.91 0.54 0.21 0.00 1.01 -0.92 -0.26 121.20 117.87 1ulg s ILE 123 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 60.65 60.81 1ulg s ILE 123 Cb 0.04 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 1ulg s ILE 123 CO -0.06 0.28 0.22 0.00 0.00 0.00 0.00 174.94 175.38 1ulg s ALA 124 N 1.77 3.69 -0.05 9.38 0.00 0.26 -1.36 121.76 135.44 1ulg s ALA 124 Ca 0.03 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 50.69 1ulg s ALA 124 Cb -0.13 -1.45 0.04 0.00 0.00 0.00 0.00 23.12 21.58 1ulg s ALA 124 CO -0.05 0.36 0.09 -0.47 0.00 0.00 0.00 175.76 175.69 1ulg s TYR 125 N -1.95 -0.04 0.03 0.00 5.04 -0.19 -0.65 117.35 119.59 1ulg s TYR 125 Ca 0.33 0.34 -0.07 0.00 -2.44 0.00 0.00 57.07 55.23 1ulg s TYR 125 Cb -0.09 -0.30 -0.00 0.00 0.35 0.00 0.00 41.96 41.91 1ulg s TYR 125 CO 0.26 -0.18 0.13 0.54 -1.34 0.00 0.00 175.55 174.96 1ulg s ASN 126 N 1.76 0.10 0.00 4.32 4.22 -0.04 0.18 114.94 125.48 1ulg s ASN 126 Ca -0.01 -0.41 0.00 0.00 -2.14 0.00 0.00 52.86 50.29 1ulg s ASN 126 Cb -0.12 0.24 0.00 0.00 1.28 0.00 0.00 41.25 42.64 1ulg s ASN 126 CO -0.04 -0.49 0.00 0.00 -2.04 0.00 0.00 177.10 174.53 1ulg n ALA 127 N 0.91 0.00 -0.10 3.54 0.00 -1.26 -0.64 120.51 122.96 1ulg n ALA 127 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 1ulg n ALA 127 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 1ulg n ALA 127 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ulg h GLU 128 N 0.00 0.00 -2.78 0.00 4.81 -1.95 -3.44 114.58 111.22 1ulg h GLU 128 Ca 0.00 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.75 1ulg h GLU 128 Cb 0.00 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 28.99 1ulg h GLU 128 CO 0.00 0.88 -0.75 0.54 -0.73 0.00 0.00 179.01 178.95 1ulg s ASN 129 N -6.73 2.96 0.55 1.04 6.03 -1.26 -5.08 114.94 112.44 1ulg s ASN 129 Ca -0.27 -1.02 -0.21 0.00 -1.03 0.00 0.00 52.86 50.33 1ulg s ASN 129 Cb 0.05 -0.20 -0.05 0.00 -3.03 0.00 0.00 41.25 38.02 1ulg s ASN 129 CO 0.55 -0.41 1.26 -0.55 -2.03 0.00 0.00 177.10 175.92 1ulg s SER 130 N 2.15 5.43 0.23 3.54 0.15 -1.26 -0.98 113.70 122.95 1ulg s SER 130 Ca 0.07 2.52 0.11 0.00 0.70 0.00 0.00 55.95 59.35 1ulg s SER 130 Cb -0.16 -2.61 0.16 0.00 -1.71 0.00 0.00 66.02 61.69 1ulg s SER 130 CO -0.28 -1.44 1.49 0.25 1.20 0.00 0.00 173.24 174.45 1ulg h LEU 131 N 1.37 0.00-10.14 3.45 5.85 -1.81 -3.41 115.31 110.62 1ulg h LEU 131 Ca -0.50 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 57.67 1ulg h LEU 131 Cb 1.29 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.26 1ulg h LEU 131 CO 0.57 0.72 -0.39 -0.36 -0.34 0.00 0.00 178.44 178.63 1ulg s PHE 132 N -3.21 2.33 0.71 1.25 2.99 -1.26 0.47 117.98 121.26 1ulg s PHE 132 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 56.93 56.17 1ulg s PHE 132 Cb 0.11 -2.02 0.02 0.00 0.00 0.00 0.00 43.02 41.13 1ulg s PHE 132 CO 0.77 -0.13 1.08 -1.54 -0.00 0.00 0.00 175.22 175.41 1ulg s SER 133 N -4.10 4.99 -0.19 1.36 1.04 -1.25 -4.86 113.70 110.70 1ulg s SER 133 Ca 0.41 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.66 1ulg s SER 133 Cb -0.00 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 63.63 1ulg s SER 133 CO 0.24 -1.71 -0.09 -0.55 0.98 0.00 0.00 173.24 172.11 1ulg s SER 134 N -3.22 3.20 0.83 7.02 0.15 -1.26 -3.55 113.70 116.86 1ulg s SER 134 Ca 0.62 -0.80 -0.05 0.00 0.70 0.00 0.00 55.95 56.42 1ulg s SER 134 Cb -0.17 -1.15 0.11 0.00 -1.71 0.00 0.00 66.02 63.09 1ulg s SER 134 CO 0.50 -0.15 0.66 -0.81 1.20 0.00 0.00 173.24 174.65 1ulg n PRO 135 N 4.74 -0.34 -4.22 5.44 -0.04 -1.26 -4.94 135.00 134.37 1ulg n PRO 135 Ca -0.14 -1.29 -0.28 0.00 -0.04 0.00 0.00 63.50 61.75 1ulg n PRO 135 Cb 0.47 -0.60 -0.09 0.00 -0.04 0.00 0.00 33.50 33.24 1ulg n PRO 135 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ulg s VAL 136 N -2.20 3.52 -0.09 0.52 -7.23 0.39 -4.74 120.40 110.57 1ulg s VAL 136 Ca 0.40 -1.40 -0.26 0.00 -1.81 0.00 0.00 61.98 58.91 1ulg s VAL 136 Cb -0.01 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 1ulg s VAL 136 CO 0.27 -0.03 0.84 -0.89 -0.31 0.00 0.00 175.10 174.99 1ulg s THR 137 N -1.54 4.93 -0.15 5.32 2.01 0.36 -2.04 115.64 124.53 1ulg s THR 137 Ca 0.25 1.71 0.00 0.00 0.31 0.00 0.00 61.69 63.96 1ulg s THR 137 Cb -0.10 -4.17 0.03 0.00 0.01 0.00 0.00 72.50 68.27 1ulg s THR 137 CO 0.16 0.14 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.43 1ulg s VAL 138 N 1.38 1.35 -0.25 3.82 1.01 -0.50 0.11 120.40 127.32 1ulg s VAL 138 Ca 0.42 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 1ulg s VAL 138 Cb -0.18 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1ulg s VAL 138 CO 0.19 0.35 -0.00 -1.81 0.00 0.00 0.00 175.10 173.83 1ulg s ASP 139 N 1.56 4.60 -0.17 3.32 1.01 0.10 -0.55 116.67 126.55 1ulg s ASP 139 Ca 0.04 -0.57 -0.05 0.00 0.71 0.00 0.00 52.55 52.68 1ulg s ASP 139 Cb -0.13 -1.78 -0.03 0.00 1.01 0.00 0.00 42.92 41.99 1ulg s ASP 139 CO -0.09 -0.09 -0.00 -0.69 0.21 0.00 0.00 175.17 174.50 1ulg s VAL 140 N 1.46 4.17 0.05 -1.27 1.01 0.40 -0.13 120.40 126.09 1ulg s VAL 140 Ca 0.04 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.83 1ulg s VAL 140 Cb -0.16 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1ulg s VAL 140 CO -0.01 0.47 -0.14 -1.00 0.00 0.00 0.00 175.10 174.42 1ulg s HIS 141 N 0.45 2.66 -0.27 5.22 0.09 0.25 -1.46 115.29 122.23 1ulg s HIS 141 Ca -0.01 -0.19 0.22 0.00 -0.00 0.00 0.00 55.06 55.07 1ulg s HIS 141 Cb -0.14 -1.48 0.40 0.00 -0.00 0.00 0.00 32.58 31.36 1ulg s HIS 141 CO 0.02 0.32 1.61 0.78 -0.00 0.00 0.00 174.74 177.48 1ulg h GLY 142 N 4.27 0.00 -3.62 -2.22 0.00 -1.87 -0.38 103.07 99.25 1ulg h GLY 142 Ca -0.48 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 1ulg h GLY 142 CO 0.50 0.00 0.29 0.48 0.00 0.00 0.00 176.54 177.80 1ulg s LEU 143 N -6.32 -0.55 0.16 3.11 2.34 -1.26 -3.46 118.68 112.70 1ulg s LEU 143 Ca 0.05 0.33 -0.33 0.00 0.06 0.00 0.00 54.13 54.24 1ulg s LEU 143 Cb 0.06 2.40 -0.16 0.00 -0.56 0.00 0.00 46.19 47.93 1ulg s LEU 143 CO 0.68 -0.70 1.18 -0.11 -1.06 0.00 0.00 176.35 176.33 1ulg n LEU 144 N 0.28 1.49 -4.92 1.48 7.94 -1.26 -4.87 117.00 117.14 1ulg n LEU 144 Ca -0.16 1.14 -0.26 0.00 -1.11 0.00 0.00 56.01 55.62 1ulg n LEU 144 Cb 0.61 -1.21 0.02 0.00 0.53 0.00 0.00 43.42 43.37 1ulg n LEU 144 CO 0.17 -1.30 0.48 -2.16 -1.11 0.00 0.00 177.39 173.47 1ulg s PRO 145 N -0.28 3.06 0.30 1.96 0.04 -1.26 -5.02 135.00 133.80 1ulg s PRO 145 Ca 0.75 -0.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.45 1ulg s PRO 145 Cb -0.87 -2.34 -0.13 0.00 0.04 0.00 0.00 34.50 31.20 1ulg s PRO 145 CO 0.52 -0.54 1.27 -2.30 0.04 0.00 0.00 177.00 176.00 1ulg n PRO 146 N -2.44 1.94 -3.73 0.56 -0.02 -1.26 -4.95 135.00 125.11 1ulg n PRO 146 Ca 0.03 0.69 -0.37 0.00 -2.02 0.00 0.00 63.50 61.83 1ulg n PRO 146 Cb 0.57 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 1ulg n PRO 146 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ulg s LEU 147 N -0.40 4.38 0.39 2.45 1.43 -1.26 -5.07 118.68 120.60 1ulg s LEU 147 Ca 0.60 0.58 -0.26 0.00 -1.03 0.00 0.00 54.13 54.03 1ulg s LEU 147 Cb -0.62 -2.24 -0.09 0.00 0.03 0.00 0.00 46.19 43.27 1ulg s LEU 147 CO 0.58 0.33 1.22 -2.16 0.23 0.00 0.00 176.35 176.55 1ulg s PRO 148 N -0.75 4.09 0.60 1.29 0.04 -1.26 -4.86 135.00 134.15 1ulg s PRO 148 Ca 0.17 1.96 0.28 0.00 0.04 0.00 0.00 61.00 63.45 1ulg s PRO 148 Cb -0.13 -2.76 1.30 0.00 0.04 0.00 0.00 34.50 32.94 1ulg s PRO 148 CO 0.06 -0.33 1.70 -1.00 0.04 0.00 0.00 177.00 177.47 1ulg h PRO 149 N 2.78 0.00 0.00 0.56 0.13 -2.05 -3.56 132.00 129.86 1ulg h PRO 149 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ulg h PRO 149 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ulg h PRO 149 CO 0.63 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.40