#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 4.27 0.08 -0.89 2.96 -1.26 0.54 118.68 124.38 1ulg s LEU 2 Ca 0.00 0.31 0.04 0.00 -0.22 0.00 0.00 54.13 54.26 1ulg s LEU 2 Cb 0.00 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1ulg s LEU 2 CO 0.00 0.25 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.86 1ulg s TYR 3 N -0.09 1.06 -0.51 5.38 1.51 0.13 -4.98 117.35 119.86 1ulg s TYR 3 Ca 0.10 -0.58 -0.01 0.00 -1.01 0.00 0.00 57.07 55.57 1ulg s TYR 3 Cb -0.11 -0.59 0.13 0.00 -0.11 0.00 0.00 41.96 41.28 1ulg s TYR 3 CO -0.00 0.01 0.30 -1.01 -1.11 0.00 0.00 175.55 173.74 1ulg s HIS 4 N -1.97 3.48 -0.50 2.71 3.76 -1.26 -0.52 115.29 120.98 1ulg s HIS 4 Ca 0.02 -2.69 -0.25 0.00 -0.15 0.00 0.00 55.06 51.98 1ulg s HIS 4 Cb -0.06 -3.14 0.03 0.00 1.11 0.00 0.00 32.58 30.52 1ulg s HIS 4 CO 0.01 -0.89 0.93 -1.17 -0.85 0.00 0.00 174.74 172.77 1ulg s LEU 5 N 0.42 4.04 0.47 0.89 2.96 -0.98 -4.88 118.68 121.60 1ulg s LEU 5 Ca 0.13 -0.08 -0.16 0.00 -0.22 0.00 0.00 54.13 53.80 1ulg s LEU 5 Cb -0.22 -3.03 -0.08 0.00 0.50 0.00 0.00 46.19 43.35 1ulg s LEU 5 CO -0.04 -1.12 0.93 -0.36 -1.32 0.00 0.00 176.35 174.44 1ulg s PHE 6 N 3.83 3.42 0.32 5.38 0.40 -1.26 -1.55 117.98 128.53 1ulg s PHE 6 Ca 0.34 1.41 -0.29 0.00 -0.60 0.00 0.00 56.93 57.79 1ulg s PHE 6 Cb -0.11 -2.73 -0.11 0.00 0.51 0.00 0.00 43.02 40.58 1ulg s PHE 6 CO 0.23 -0.24 1.50 0.54 0.70 0.00 0.00 175.22 177.95 1ulg s VAL 7 N -2.45 2.20 -1.18 -0.44 0.11 -1.26 -1.85 120.40 115.53 1ulg s VAL 7 Ca 0.58 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.82 1ulg s VAL 7 Cb -0.10 -3.12 0.00 0.00 -1.53 0.00 0.00 36.38 31.63 1ulg s VAL 7 CO 0.27 0.04 0.00 0.59 -3.33 0.00 0.00 175.10 172.66 1ulg n ASN 8 N 1.40 -4.52 -2.02 3.54 3.02 0.19 -4.96 115.26 111.91 1ulg n ASN 8 Ca 0.04 0.27 -0.04 0.00 -0.03 0.00 0.00 54.58 54.83 1ulg n ASN 8 Cb 0.39 -3.00 -0.01 0.00 -0.61 0.00 0.00 39.78 36.55 1ulg n ASN 8 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ulg n ASN 9 N -0.06 1.47 -3.77 6.41 3.02 -0.77 -4.95 115.26 116.62 1ulg n ASN 9 Ca -0.11 -1.29 -0.10 0.00 -0.03 0.00 0.00 54.58 53.05 1ulg n ASN 9 Cb 0.39 0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.61 1ulg n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ulg s GLN 10 N -2.22 1.16 -0.04 3.52 -2.07 -1.26 -1.25 119.66 117.50 1ulg s GLN 10 Ca 0.02 -0.89 0.04 0.00 -1.82 0.00 0.00 55.36 52.70 1ulg s GLN 10 Cb 0.00 0.45 -0.00 0.00 -1.09 0.00 0.00 33.01 32.37 1ulg s GLN 10 CO 0.01 -0.45 -0.15 0.14 -1.32 0.00 0.00 175.29 173.52 1ulg s VAL 11 N -3.87 1.26 -0.09 3.63 -7.23 -0.73 -4.92 120.40 108.45 1ulg s VAL 11 Ca 0.08 -0.62 -0.24 0.00 -1.81 0.00 0.00 61.98 59.39 1ulg s VAL 11 Cb 0.02 -1.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.83 1ulg s VAL 11 CO -0.06 0.37 0.75 -0.54 -0.31 0.00 0.00 175.10 175.31 1ulg s LYS 12 N 0.08 4.40 0.20 4.82 1.02 -1.26 -2.31 119.74 126.68 1ulg s LYS 12 Ca -0.04 0.94 -0.30 0.00 0.02 0.00 0.00 55.97 56.60 1ulg s LYS 12 Cb -0.11 -3.49 -0.08 0.00 -0.52 0.00 0.00 37.83 33.64 1ulg s LYS 12 CO 0.02 -0.06 1.05 -0.51 -0.92 0.00 0.00 175.35 174.93 1ulg s LEU 13 N 1.21 4.53 0.47 3.17 1.43 -0.11 -4.93 118.68 124.45 1ulg s LEU 13 Ca 0.38 2.06 0.21 0.00 -1.03 0.00 0.00 54.13 55.75 1ulg s LEU 13 Cb -0.18 -3.61 1.14 0.00 0.03 0.00 0.00 46.19 43.58 1ulg s LEU 13 CO 0.17 -0.12 1.98 -0.61 0.23 0.00 0.00 176.35 178.00 1ulg h GLN 14 N 4.77 0.00 -4.26 1.70 5.75 -1.96 -3.43 115.11 117.68 1ulg h GLN 14 Ca -0.45 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 57.85 1ulg h GLN 14 Cb 1.21 0.00 -0.20 0.00 1.07 0.00 0.00 27.48 29.56 1ulg h GLN 14 CO 0.71 0.20 -0.71 -0.80 -2.65 0.00 0.00 178.83 175.57 1ulg s ASN 15 N -6.55 0.55 0.38 -0.69 0.01 -1.26 -5.14 114.94 102.24 1ulg s ASN 15 Ca -0.03 -0.62 -0.27 0.00 -0.71 0.00 0.00 52.86 51.23 1ulg s ASN 15 Cb 0.14 0.09 -0.09 0.00 0.41 0.00 0.00 41.25 41.80 1ulg s ASN 15 CO 0.65 -0.32 1.34 -1.81 -1.51 0.00 0.00 177.10 175.44 1ulg s ASP 16 N -1.82 6.42 -0.30 -1.22 1.01 -1.26 -4.94 116.67 114.55 1ulg s ASP 16 Ca -0.09 2.74 -0.27 0.00 0.71 0.00 0.00 52.55 55.64 1ulg s ASP 16 Cb -0.06 -2.65 0.01 0.00 1.01 0.00 0.00 42.92 41.23 1ulg s ASP 16 CO -0.02 -0.78 0.99 0.12 0.21 0.00 0.00 175.17 175.68 1ulg s PHE 17 N -1.20 3.20 0.35 4.23 5.36 -0.16 -4.93 117.98 124.82 1ulg s PHE 17 Ca 0.54 1.13 0.04 0.00 -0.96 0.00 0.00 56.93 57.68 1ulg s PHE 17 Cb -0.40 -3.49 -0.01 0.00 -0.34 0.00 0.00 43.02 38.78 1ulg s PHE 17 CO 0.53 -0.66 0.38 -1.59 -1.46 0.00 0.00 175.22 172.41 1ulg s LYS 18 N 3.38 1.87 0.04 10.12 -2.85 -1.26 -2.04 119.74 129.00 1ulg s LYS 18 Ca 0.41 -1.94 -0.38 0.00 -1.00 0.00 0.00 55.97 53.07 1ulg s LYS 18 Cb -0.13 0.38 -0.19 0.00 -2.06 0.00 0.00 37.83 35.83 1ulg s LYS 18 CO 0.13 -0.73 1.03 -2.30 0.10 0.00 0.00 175.35 173.57 1ulg n PRO 19 N -0.62 0.16 0.00 1.78 -0.02 -1.26 -0.22 135.00 134.82 1ulg n PRO 19 Ca 0.05 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1ulg n PRO 19 Cb 0.62 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 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 1.54 0.00 -1.97 -0.52 -0.58 0.81 -4.95 120.64 114.96 1ulg n GLU 20 Ca 0.19 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.56 1ulg n GLU 20 Cb 0.12 -0.53 0.02 0.00 -0.57 0.00 0.00 31.44 30.48 1ulg n GLU 20 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1ulg s SER 21 N -1.50 5.55 -0.10 1.62 0.01 0.69 -3.44 113.70 116.53 1ulg s SER 21 Ca 0.00 2.56 -0.00 0.00 1.31 0.00 0.00 55.95 59.82 1ulg s SER 21 Cb 0.00 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.63 1ulg s SER 21 CO 0.00 -1.36 -0.07 -0.69 0.41 0.00 0.00 173.24 171.53 1ulg s VAL 22 N -1.42 0.90 -0.31 3.43 1.01 -0.48 -1.93 120.40 121.60 1ulg s VAL 22 Ca 0.70 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.42 1ulg s VAL 22 Cb -0.35 -0.93 0.05 0.00 0.00 0.00 0.00 36.38 35.15 1ulg s VAL 22 CO 0.41 0.34 0.03 0.00 0.00 0.00 0.00 175.10 175.88 1ulg s ALA 23 N 1.59 2.87 -0.47 5.51 0.00 0.38 0.12 121.76 131.76 1ulg s ALA 23 Ca 0.02 -1.84 -0.14 0.00 0.00 0.00 0.00 51.96 49.99 1ulg s ALA 23 Cb -0.13 -2.01 0.08 0.00 0.00 0.00 0.00 23.12 21.05 1ulg s ALA 23 CO -0.06 -1.33 0.38 0.00 0.00 0.00 0.00 175.76 174.74 1ulg s ALA 24 N 1.25 3.51 -0.20 0.00 0.00 0.09 -0.68 121.76 125.74 1ulg s ALA 24 Ca -0.03 -2.15 -0.11 0.00 0.00 0.00 0.00 51.96 49.66 1ulg s ALA 24 Cb -0.20 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 1ulg s ALA 24 CO -0.01 -1.73 0.19 0.42 0.00 0.00 0.00 175.76 174.62 1ulg s ILE 25 N 1.59 5.37 0.01 0.00 1.01 0.98 -1.72 121.20 128.44 1ulg s ILE 25 Ca 0.04 0.30 0.04 0.00 0.00 0.00 0.00 60.65 61.02 1ulg s ILE 25 Cb -0.24 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 1ulg s ILE 25 CO 0.05 0.41 -0.11 -0.13 0.00 0.00 0.00 174.94 175.16 1ulg s ARG 26 N 0.53 0.83 0.06 2.79 0.52 0.45 -1.03 118.95 123.09 1ulg s ARG 26 Ca 0.11 -0.53 0.06 0.00 -0.52 0.00 0.00 55.73 54.85 1ulg s ARG 26 Cb -0.12 -0.80 -0.04 0.00 0.52 0.00 0.00 34.95 34.52 1ulg s ARG 26 CO 0.01 0.21 -0.13 0.45 0.02 0.00 0.00 175.30 175.85 1ulg s SER 27 N -0.66 4.15 0.00 0.23 0.15 -0.70 -0.15 113.70 116.73 1ulg s SER 27 Ca 0.02 -0.36 0.29 0.00 0.70 0.00 0.00 55.95 56.60 1ulg s SER 27 Cb -0.06 -0.77 1.30 0.00 -1.71 0.00 0.00 66.02 64.78 1ulg s SER 27 CO 0.00 0.23 1.89 -1.54 1.20 0.00 0.00 173.24 175.02 1ulg n SER 28 N 1.26 0.84 -3.80 5.45 3.41 -1.26 -3.92 113.62 115.60 1ulg n SER 28 Ca -0.15 -1.13 -0.09 0.00 -0.26 0.00 0.00 58.87 57.24 1ulg n SER 28 Cb 0.52 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 1ulg n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulg s ALA 29 N -2.13 -0.78 -0.35 7.33 0.00 -1.03 -4.70 121.76 120.10 1ulg s ALA 29 Ca 0.38 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 1ulg s ALA 29 Cb 0.21 0.88 0.12 0.00 0.00 0.00 0.00 23.12 24.33 1ulg s ALA 29 CO 0.39 -0.82 0.16 0.12 0.00 0.00 0.00 175.76 175.62 1ulg s PHE 30 N -3.90 1.27 -1.13 0.00 5.36 -1.22 -4.12 117.98 114.23 1ulg s PHE 30 Ca 0.12 -1.71 -0.19 0.00 -0.96 0.00 0.00 56.93 54.18 1ulg s PHE 30 Cb -0.01 -1.41 0.09 0.00 -0.34 0.00 0.00 43.02 41.35 1ulg s PHE 30 CO -0.00 -0.83 1.51 -0.80 -1.46 0.00 0.00 175.22 173.63 1ulg s ASN 31 N 1.27 6.72 0.39 6.13 0.01 0.11 -4.83 114.94 124.74 1ulg s ASN 31 Ca 0.14 -2.11 0.14 0.00 -0.71 0.00 0.00 52.86 50.32 1ulg s ASN 31 Cb -0.20 -2.53 0.98 0.00 0.41 0.00 0.00 41.25 39.91 1ulg s ASN 31 CO -0.15 -1.22 1.85 0.77 -1.51 0.00 0.00 177.10 176.84 1ulg h SER 32 N 8.49 0.51 -0.14 -1.22 4.64 -1.94 -0.03 113.55 123.86 1ulg h SER 32 Ca 0.30 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1ulg h SER 32 Cb 0.94 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1ulg h SER 32 CO 1.37 0.21 0.00 0.29 -0.87 0.00 0.00 176.83 177.84 1ulg n LYS 33 N -4.56 1.89 -0.16 4.77 5.02 -1.26 -4.90 118.16 118.97 1ulg n LYS 33 Ca 0.19 -0.73 -0.03 0.00 -2.02 0.00 0.00 58.31 55.73 1ulg n LYS 33 Cb 0.63 -1.67 0.02 0.00 -0.02 0.00 0.00 35.03 33.99 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 0.14 -1.37 0.00 0.72 0.00 -0.03 -5.09 105.19 99.57 1ulg n GLY 34 Ca 0.07 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 3.82 7.11 3.63 -0.02 0.00 -0.75 -4.79 105.19 114.20 1ulg n GLY 35 Ca 0.02 -1.90 -0.50 0.00 0.00 0.00 0.00 46.02 43.63 1ulg n GLY 35 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ulg n THR 36 N 0.00 0.06 -4.45 2.61 5.66 -1.26 -4.37 114.28 112.54 1ulg n THR 36 Ca 0.00 -0.01 -0.23 0.00 -3.05 0.00 0.00 64.05 60.76 1ulg n THR 36 Cb 0.00 -1.17 -0.16 0.00 -1.55 0.00 0.00 70.33 67.45 1ulg n THR 36 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1ulg s THR 37 N 1.13 0.92 0.06 1.09 2.01 0.14 -4.36 115.64 116.63 1ulg s THR 37 Ca 0.84 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 62.56 1ulg s THR 37 Cb -0.85 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 1ulg s THR 37 CO 0.46 0.30 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.77 1ulg s VAL 38 N 0.66 1.84 -0.05 3.82 1.01 -0.10 -0.29 120.40 127.28 1ulg s VAL 38 Ca -0.12 -1.36 0.03 0.00 0.00 0.00 0.00 61.98 60.53 1ulg s VAL 38 Cb -0.14 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1ulg s VAL 38 CO 0.02 0.18 -0.14 -0.36 0.00 0.00 0.00 175.10 174.80 1ulg s PHE 39 N -0.90 1.49 -0.01 5.22 0.40 -0.70 -1.26 117.98 122.22 1ulg s PHE 39 Ca 0.09 -0.47 0.04 0.00 -0.60 0.00 0.00 56.93 55.98 1ulg s PHE 39 Cb -0.09 -1.05 -0.01 0.00 0.51 0.00 0.00 43.02 42.38 1ulg s PHE 39 CO 0.03 -0.20 -0.12 -0.80 0.70 0.00 0.00 175.22 174.83 1ulg s ASN 40 N 0.31 1.41 -0.27 1.36 0.01 -0.64 -1.03 114.94 116.10 1ulg s ASN 40 Ca -0.08 -0.22 -0.07 0.00 -0.71 0.00 0.00 52.86 51.78 1ulg s ASN 40 Cb -0.13 -0.17 -0.02 0.00 0.41 0.00 0.00 41.25 41.35 1ulg s ASN 40 CO 0.03 0.14 0.08 -0.36 -1.51 0.00 0.00 177.10 175.48 1ulg s PHE 41 N -0.26 3.11 0.04 2.20 0.40 -0.27 0.11 117.98 123.31 1ulg s PHE 41 Ca 0.04 -0.58 0.05 0.00 -0.60 0.00 0.00 56.93 55.84 1ulg s PHE 41 Cb -0.05 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.19 1ulg s PHE 41 CO -0.00 -0.43 -0.09 -0.51 0.70 0.00 0.00 175.22 174.89 1ulg s LEU 42 N 1.59 3.07 0.00 -0.37 1.43 0.52 -1.21 118.68 123.71 1ulg s LEU 42 Ca 0.05 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 1ulg s LEU 42 Cb -0.16 -1.80 0.18 0.00 0.03 0.00 0.00 46.19 44.44 1ulg s LEU 42 CO 0.04 0.25 1.14 -1.54 0.23 0.00 0.00 176.35 176.47 1ulg n SER 43 N 1.30 0.81 -0.27 2.29 3.41 -0.75 0.20 113.62 120.60 1ulg n SER 43 Ca -0.15 -1.86 -0.06 0.00 -0.26 0.00 0.00 58.87 56.54 1ulg n SER 43 Cb 0.52 -0.81 0.06 0.00 -0.26 0.00 0.00 64.21 63.72 1ulg n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulg h ALA 44 N -1.12 0.98 0.00 7.33 0.00 -1.92 -1.35 119.26 123.18 1ulg h ALA 44 Ca -0.37 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1ulg h ALA 44 Cb 1.21 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ulg h ALA 44 CO 0.33 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.60 1ulg n GLY 45 N -0.86 -0.76 2.05 0.00 0.00 -1.26 -4.87 105.19 99.49 1ulg n GLY 45 Ca 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.13 -0.14 -2.82 1.61 1.02 -0.51 -4.80 120.64 113.87 1ulg n GLU 46 Ca 0.12 0.34 -0.33 0.00 -0.02 0.00 0.00 57.16 57.28 1ulg n GLU 46 Cb 0.11 -3.93 -0.06 0.00 -0.02 0.00 0.00 31.44 27.54 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 -2.95 6.83 -0.69 1.62 0.01 -1.26 -4.10 114.94 114.41 1ulg s ASN 47 Ca 0.00 1.55 -0.19 0.00 -0.71 0.00 0.00 52.86 53.52 1ulg s ASN 47 Cb 0.00 -2.49 0.12 0.00 0.41 0.00 0.00 41.25 39.29 1ulg s ASN 47 CO 0.00 -0.36 0.81 -0.63 -1.51 0.00 0.00 177.10 175.40 1ulg s ILE 48 N -2.22 4.86 0.18 0.60 1.01 0.74 -1.82 121.20 124.55 1ulg s ILE 48 Ca 0.59 -1.23 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 1ulg s ILE 48 Cb -0.09 -4.56 0.01 0.00 0.01 0.00 0.00 42.46 37.83 1ulg s ILE 48 CO 0.18 -1.21 1.57 -0.07 0.00 0.00 0.00 174.94 175.41 1ulg h LEU 49 N 9.90 0.95 -7.29 2.97 3.38 -1.41 -2.12 115.31 121.68 1ulg h LEU 49 Ca -0.17 -0.36 -0.32 0.00 0.09 0.00 0.00 57.88 57.13 1ulg h LEU 49 Cb 1.07 -0.26 -0.37 0.00 0.09 0.00 0.00 40.66 41.19 1ulg h LEU 49 CO 1.07 1.13 -0.68 -0.22 0.09 0.00 0.00 178.44 179.83 1ulg s LEU 50 N -9.01 0.08 -0.13 1.67 2.96 -1.19 -4.68 118.68 108.38 1ulg s LEU 50 Ca -0.11 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1ulg s LEU 50 Cb 0.12 0.12 -0.01 0.00 0.50 0.00 0.00 46.19 46.92 1ulg s LEU 50 CO 0.86 -0.24 -0.14 -2.28 -1.32 0.00 0.00 176.35 173.23 1ulg s HIS 51 N 2.15 2.78 -0.26 5.38 5.65 0.33 -1.11 115.29 130.21 1ulg s HIS 51 Ca 0.03 -0.70 0.01 0.00 0.25 0.00 0.00 55.06 54.65 1ulg s HIS 51 Cb -0.12 -1.83 0.07 0.00 -1.18 0.00 0.00 32.58 29.52 1ulg s HIS 51 CO -0.05 -0.24 -0.01 0.42 -0.65 0.00 0.00 174.74 174.21 1ulg s ILE 52 N 0.36 1.56 -0.42 0.89 1.01 -0.19 -1.54 121.20 122.86 1ulg s ILE 52 Ca -0.12 -1.43 -0.09 0.00 0.00 0.00 0.00 60.65 59.01 1ulg s ILE 52 Cb -0.16 -1.92 0.08 0.00 0.01 0.00 0.00 42.46 40.46 1ulg s ILE 52 CO 0.06 -0.27 0.27 -0.55 0.00 0.00 0.00 174.94 174.45 1ulg s SER 53 N 1.35 5.65 -0.34 3.58 0.15 0.89 -1.72 113.70 123.26 1ulg s SER 53 Ca -0.01 -1.53 -0.20 0.00 0.70 0.00 0.00 55.95 54.91 1ulg s SER 53 Cb -0.19 -1.99 -0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1ulg s SER 53 CO -0.09 -0.55 0.62 -0.63 1.20 0.00 0.00 173.24 173.79 1ulg s ILE 54 N 1.42 4.92 -0.38 6.45 1.01 0.60 -0.89 121.20 134.34 1ulg s ILE 54 Ca 0.03 0.66 0.04 0.00 0.00 0.00 0.00 60.65 61.38 1ulg s ILE 54 Cb -0.23 -4.04 0.11 0.00 0.01 0.00 0.00 42.46 38.31 1ulg s ILE 54 CO 0.02 -0.24 0.10 -0.13 0.00 0.00 0.00 174.94 174.69 1ulg s ARG 55 N 2.64 1.55 0.22 2.79 0.52 -0.68 0.26 118.95 126.26 1ulg s ARG 55 Ca 0.24 -2.01 -0.08 0.00 -0.52 0.00 0.00 55.73 53.36 1ulg s ARG 55 Cb -0.15 -3.17 0.19 0.00 0.52 0.00 0.00 34.95 32.35 1ulg s ARG 55 CO 0.14 -0.98 1.87 -1.35 0.02 0.00 0.00 175.30 174.99 1ulg h PRO 56 N 7.37 1.16 0.08 3.54 0.11 -1.81 0.08 132.00 142.54 1ulg h PRO 56 Ca -0.05 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 65.95 1ulg h PRO 56 Cb 0.99 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1ulg h PRO 56 CO 0.55 0.82 -0.04 0.78 -0.21 0.00 0.00 178.00 179.90 1ulg h GLY 57 N 1.17 -0.12 2.00 -0.55 0.00 -1.93 -2.75 103.07 100.89 1ulg h GLY 57 Ca 0.31 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1ulg h GLY 57 CO -0.06 -0.04 0.00 0.83 0.00 0.00 0.00 176.54 177.27 1ulg h GLU 58 N -0.34 0.00 -3.64 4.80 5.08 -1.98 -3.47 114.58 115.03 1ulg h GLU 58 Ca -0.01 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.12 1ulg h GLU 58 Cb 0.29 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.61 1ulg h GLU 58 CO 0.02 0.00 -0.39 -1.71 -1.00 0.00 0.00 179.01 175.93 1ulg n ASN 59 N -3.03 -4.50 -4.07 1.42 5.15 -0.03 -5.00 115.26 105.20 1ulg n ASN 59 Ca 0.01 -0.29 -0.10 0.00 -0.60 0.00 0.00 54.58 53.61 1ulg n ASN 59 Cb 0.33 -3.13 -0.09 0.00 -0.53 0.00 0.00 39.78 36.37 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 -3.14 0.07 -0.22 3.44 -7.23 -0.94 -1.96 120.40 110.43 1ulg s VAL 60 Ca 0.31 -1.69 -0.00 0.00 -1.81 0.00 0.00 61.98 58.79 1ulg s VAL 60 Cb -0.14 -2.01 0.06 0.00 0.56 0.00 0.00 36.38 34.85 1ulg s VAL 60 CO 0.39 -0.34 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.19 1ulg s ILE 61 N -4.03 1.22 -0.05 -0.62 1.01 0.61 -1.68 121.20 117.66 1ulg s ILE 61 Ca 0.23 -1.00 -0.17 0.00 0.00 0.00 0.00 60.65 59.70 1ulg s ILE 61 Cb 0.05 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.92 1ulg s ILE 61 CO 0.02 -0.12 0.47 -0.69 0.00 0.00 0.00 174.94 174.62 1ulg s VAL 62 N 1.54 5.07 -0.08 2.92 1.01 -0.07 -2.43 120.40 128.37 1ulg s VAL 62 Ca -0.04 0.96 0.04 0.00 0.00 0.00 0.00 61.98 62.94 1ulg s VAL 62 Cb -0.18 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1ulg s VAL 62 CO -0.07 0.44 -0.22 -0.36 0.00 0.00 0.00 175.10 174.90 1ulg s PHE 63 N -0.16 2.56 0.23 5.22 0.40 0.90 -0.08 117.98 127.05 1ulg s PHE 63 Ca 0.26 -0.72 -0.08 0.00 -0.60 0.00 0.00 56.93 55.79 1ulg s PHE 63 Cb -0.16 -1.67 0.03 0.00 0.51 0.00 0.00 43.02 41.73 1ulg s PHE 63 CO 0.12 -0.22 0.44 -1.71 0.70 0.00 0.00 175.22 174.56 1ulg n ASN 64 N 3.10 -1.29 -3.89 1.36 2.85 -0.59 -1.98 115.26 114.83 1ulg n ASN 64 Ca -0.18 -1.97 -0.09 0.00 -0.11 0.00 0.00 54.58 52.23 1ulg n ASN 64 Cb 0.52 2.17 -0.06 0.00 1.24 0.00 0.00 39.78 43.65 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 -2.23 -0.04 -0.27 1.20 0.01 -1.26 -0.51 113.70 110.60 1ulg s SER 65 Ca 0.10 -0.74 -0.27 0.00 1.31 0.00 0.00 55.95 56.35 1ulg s SER 65 Cb -0.03 0.47 0.17 0.00 0.21 0.00 0.00 66.02 66.84 1ulg s SER 65 CO 0.08 -0.92 1.29 0.00 0.41 0.00 0.00 173.24 174.10 1ulg s ARG 66 N -3.93 0.21 0.75 12.44 1.70 -0.80 -2.48 118.95 126.83 1ulg s ARG 66 Ca 0.14 0.14 -0.11 0.00 -0.47 0.00 0.00 55.73 55.43 1ulg s ARG 66 Cb 0.02 0.10 0.04 0.00 -0.57 0.00 0.00 34.95 34.54 1ulg s ARG 66 CO -0.02 -0.05 1.09 -0.51 -1.08 0.00 0.00 175.30 174.73 1ulg s LEU 67 N -0.46 2.79 0.25 -1.89 1.43 -1.26 -0.18 118.68 119.36 1ulg s LEU 67 Ca 0.06 1.31 -0.10 0.00 -1.03 0.00 0.00 54.13 54.37 1ulg s LEU 67 Cb -0.03 -4.04 0.38 0.00 0.03 0.00 0.00 46.19 42.53 1ulg s LEU 67 CO -0.09 -1.67 1.58 0.50 0.23 0.00 0.00 176.35 176.90 1ulg h LYS 68 N -0.88 -0.00 -0.54 1.70 3.64 -1.87 -0.99 116.57 117.63 1ulg h LYS 68 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1ulg h LYS 68 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1ulg h LYS 68 CO 0.60 -0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.87 1ulg n ASN 69 N -5.56 3.58 -4.99 4.20 4.13 -1.26 -5.02 115.26 110.34 1ulg n ASN 69 Ca 0.13 -2.08 -0.19 0.00 1.68 0.00 0.00 54.58 54.11 1ulg n ASN 69 Cb 0.44 -0.39 -0.01 0.00 -1.54 0.00 0.00 39.78 38.29 1ulg n ASN 69 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1ulg s GLY 70 N -1.03 1.57 0.79 7.41 0.00 -0.38 -5.11 107.32 110.57 1ulg s GLY 70 Ca 0.37 -1.44 -0.11 0.00 0.00 0.00 0.00 44.72 43.54 1ulg s GLY 70 CO 0.24 -1.37 1.10 0.00 0.00 0.00 0.00 173.10 173.07 1ulg s ALA 71 N -2.16 2.31 0.54 3.20 0.00 -1.26 -4.56 121.76 119.83 1ulg s ALA 71 Ca 0.44 -0.23 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 1ulg s ALA 71 Cb -0.09 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 1ulg s ALA 71 CO 0.31 -1.68 1.11 -1.58 0.00 0.00 0.00 175.76 173.92 1ulg s TRP 72 N -3.18 2.74 0.22 0.00 0.52 -1.26 -4.62 118.94 113.36 1ulg s TRP 72 Ca 0.61 1.55 -0.01 0.00 0.02 0.00 0.00 56.10 58.26 1ulg s TRP 72 Cb -0.14 -3.23 0.05 0.00 -1.15 0.00 0.00 33.47 29.00 1ulg s TRP 72 CO 0.54 -1.43 0.30 0.41 0.02 0.00 0.00 176.95 176.79 1ulg n GLY 73 N -0.01 0.26 3.74 0.98 0.00 -1.04 -5.02 105.19 104.10 1ulg n GLY 73 Ca 0.11 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 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 -3.31 2.90 0.26 1.61 0.04 -1.26 -4.86 135.00 130.37 1ulg s PRO 74 Ca 0.19 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 63.20 1ulg s PRO 74 Cb -0.01 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 1ulg s PRO 74 CO 0.13 -1.32 0.57 -1.21 0.04 0.00 0.00 177.00 175.21 1ulg s GLU 75 N -3.18 3.75 -0.14 4.56 2.02 -1.26 -4.79 118.70 119.65 1ulg s GLU 75 Ca 0.77 0.21 -0.00 0.00 0.02 0.00 0.00 54.97 55.97 1ulg s GLU 75 Cb -0.36 -2.63 0.03 0.00 0.10 0.00 0.00 34.13 31.27 1ulg s GLU 75 CO 0.40 0.26 -0.09 -1.21 0.02 0.00 0.00 175.26 174.64 1ulg s GLU 76 N -3.11 1.74 0.32 1.61 2.02 -0.84 -4.98 118.70 115.46 1ulg s GLU 76 Ca 0.47 -0.46 0.04 0.00 0.02 0.00 0.00 54.97 55.03 1ulg s GLU 76 Cb -0.11 -1.91 -0.06 0.00 0.10 0.00 0.00 34.13 32.15 1ulg s GLU 76 CO 0.25 -0.32 0.06 -0.98 0.02 0.00 0.00 175.26 174.29 1ulg s ARG 77 N 1.60 1.63 0.07 1.61 1.70 -1.26 -0.07 118.95 124.23 1ulg s ARG 77 Ca 0.03 -1.90 -0.18 0.00 -0.47 0.00 0.00 55.73 53.21 1ulg s ARG 77 Cb -0.14 -0.81 0.04 0.00 -0.57 0.00 0.00 34.95 33.47 1ulg s ARG 77 CO -0.09 -0.20 0.43 0.96 -1.08 0.00 0.00 175.30 175.32 1ulg s ILE 78 N -3.34 0.06 0.44 4.99 -4.36 -1.02 -4.95 121.20 113.01 1ulg s ILE 78 Ca 0.37 -0.45 -0.25 0.00 -0.26 0.00 0.00 60.65 60.05 1ulg s ILE 78 Cb 0.09 -1.01 -0.08 0.00 1.25 0.00 0.00 42.46 42.70 1ulg s ILE 78 CO 0.15 -0.25 1.38 -2.16 0.24 0.00 0.00 174.94 174.31 1ulg s PRO 79 N -2.84 3.78 -0.09 0.37 0.04 -1.26 -0.28 135.00 134.70 1ulg s PRO 79 Ca -0.03 2.33 -0.15 0.00 0.04 0.00 0.00 61.00 63.19 1ulg s PRO 79 Cb -0.00 -2.68 -0.28 0.00 0.04 0.00 0.00 34.50 31.58 1ulg s PRO 79 CO -0.05 -0.71 0.57 -0.92 0.04 0.00 0.00 177.00 175.93 1ulg h TYR 80 N 2.43 0.49 -0.96 0.56 3.20 -1.64 -3.43 116.97 117.62 1ulg h TYR 80 Ca -0.50 -0.36 -0.80 0.00 3.14 0.00 0.00 58.73 60.21 1ulg h TYR 80 Cb 1.26 -0.02 0.03 0.00 1.54 0.00 0.00 36.73 39.54 1ulg h TYR 80 CO 0.51 1.58 0.34 0.00 -1.64 0.00 0.00 178.16 178.94 1ulg n ALA 81 N -2.95 -2.52 -2.77 1.82 0.00 -1.26 -1.89 120.51 110.94 1ulg n ALA 81 Ca -0.25 0.53 -0.19 0.00 0.00 0.00 0.00 53.44 53.53 1ulg n ALA 81 Cb 0.93 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 2.56 -3.05 0.04 0.00 -0.58 -1.26 -4.84 120.64 113.51 1ulg n GLU 82 Ca 0.24 0.74 0.12 0.00 -0.42 0.00 0.00 57.16 57.84 1ulg n GLU 82 Cb 0.02 -5.45 0.14 0.00 -0.57 0.00 0.00 31.44 25.57 1ulg n GLU 82 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ulg n LYS 83 N -3.36 0.26 -5.18 3.49 4.76 -0.79 -4.50 118.16 112.84 1ulg n LYS 83 Ca -0.13 0.05 -0.32 0.00 -2.87 0.00 0.00 58.31 55.04 1ulg n LYS 83 Cb 0.62 -1.64 -0.15 0.00 -1.84 0.00 0.00 35.03 32.01 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 -3.16 2.46 -0.24 2.13 0.40 -1.26 -0.79 117.98 117.53 1ulg s PHE 84 Ca 0.06 -0.39 -0.07 0.00 -0.60 0.00 0.00 56.93 55.93 1ulg s PHE 84 Cb 0.14 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 1ulg s PHE 84 CO 0.74 0.00 0.07 0.50 0.70 0.00 0.00 175.22 177.24 1ulg s ARG 85 N -0.58 3.72 0.57 0.44 3.52 -1.26 -4.96 118.95 120.40 1ulg s ARG 85 Ca 0.09 -0.45 -0.09 0.00 -0.13 0.00 0.00 55.73 55.15 1ulg s ARG 85 Cb -0.11 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 1ulg s ARG 85 CO 0.00 -0.09 0.93 -1.25 -0.81 0.00 0.00 175.30 174.08 1ulg s PRO 86 N 1.36 3.54 0.00 5.12 0.04 -1.26 -1.27 135.00 142.53 1ulg s PRO 86 Ca 0.05 0.50 0.27 0.00 0.04 0.00 0.00 61.00 61.86 1ulg s PRO 86 Cb -0.15 -2.20 0.90 0.00 0.04 0.00 0.00 34.50 33.09 1ulg s PRO 86 CO 0.04 -0.44 1.66 -0.35 0.04 0.00 0.00 177.00 177.95 1ulg n PRO 87 N -2.55 0.57 -3.59 0.56 -0.04 -1.26 -4.88 135.00 123.81 1ulg n PRO 87 Ca 0.04 -0.28 -0.27 0.00 -0.04 0.00 0.00 63.50 62.95 1ulg n PRO 87 Cb 0.55 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.97 2.98 -4.76 3.54 5.03 -1.20 -2.45 115.26 117.43 1ulg n ASN 88 Ca 0.11 -3.24 -0.37 0.00 0.87 0.00 0.00 54.58 51.95 1ulg n ASN 88 Cb 0.32 -0.70 0.02 0.00 -1.02 0.00 0.00 39.78 38.41 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 -1.85 3.22 0.11 3.52 0.04 -0.40 -4.68 135.00 134.97 1ulg s PRO 89 Ca 0.33 1.90 0.02 0.00 0.04 0.00 0.00 61.00 63.29 1ulg s PRO 89 Cb 0.07 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1ulg s PRO 89 CO -0.09 -1.02 -0.07 -1.54 0.04 0.00 0.00 177.00 174.31 1ulg s SER 90 N -1.40 1.29 -0.03 6.66 1.04 -1.26 -1.71 113.70 118.29 1ulg s SER 90 Ca 0.72 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1ulg s SER 90 Cb -0.32 0.07 0.03 0.00 0.10 0.00 0.00 66.02 65.90 1ulg s SER 90 CO 0.36 -0.44 0.01 -0.63 0.98 0.00 0.00 173.24 173.52 1ulg s ILE 91 N -3.56 0.12 -0.19 -1.02 1.01 -0.20 -3.86 121.20 113.50 1ulg s ILE 91 Ca 0.13 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.91 1ulg s ILE 91 Cb 0.05 -0.22 0.04 0.00 0.01 0.00 0.00 42.46 42.33 1ulg s ILE 91 CO -0.03 0.13 -0.10 -0.89 0.00 0.00 0.00 174.94 174.05 1ulg s THR 92 N 1.04 1.56 -0.18 2.92 2.01 0.64 -0.02 115.64 123.61 1ulg s THR 92 Ca -0.10 -0.92 -0.07 0.00 0.31 0.00 0.00 61.69 60.92 1ulg s THR 92 Cb -0.13 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 1ulg s THR 92 CO -0.02 0.18 0.04 -0.69 -0.69 0.00 0.00 174.62 173.45 1ulg s VAL 93 N 1.44 4.54 -0.06 3.82 1.01 0.15 -0.33 120.40 130.97 1ulg s VAL 93 Ca -0.00 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.88 1ulg s VAL 93 Cb -0.16 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.19 1ulg s VAL 93 CO -0.08 0.45 -0.14 -0.63 0.00 0.00 0.00 175.10 174.70 1ulg s ILE 94 N 0.52 1.23 -0.35 2.22 1.01 -0.51 -0.47 121.20 124.85 1ulg s ILE 94 Ca 0.02 -0.56 -0.21 0.00 0.00 0.00 0.00 60.65 59.90 1ulg s ILE 94 Cb -0.13 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.24 1ulg s ILE 94 CO 0.01 0.37 0.66 -0.62 0.00 0.00 0.00 174.94 175.37 1ulg s ASP 95 N 0.46 6.46 -0.25 3.58 -1.08 -0.81 -0.72 116.67 124.32 1ulg s ASP 95 Ca -0.12 0.23 0.14 0.00 -0.52 0.00 0.00 52.55 52.28 1ulg s ASP 95 Cb -0.14 -2.34 0.75 0.00 -1.46 0.00 0.00 42.92 39.72 1ulg s ASP 95 CO 0.03 -0.60 1.70 1.41 0.52 0.00 0.00 175.17 178.23 1ulg n HIS 96 N 6.09 1.93 0.00 -5.34 8.25 -0.17 -0.14 115.22 125.84 1ulg n HIS 96 Ca -0.00 -0.88 0.00 0.00 -0.26 0.00 0.00 57.72 56.58 1ulg n HIS 96 Cb 0.49 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 31.08 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 0.20 2.10 0.17 -1.41 0.00 -1.26 -4.32 105.19 100.67 1ulg n GLY 97 Ca 0.29 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 3.64 1.28 -3.51 1.61 5.75 -1.26 -4.93 116.55 119.14 1ulg n ASP 98 Ca 0.00 -1.14 -0.12 0.00 -0.01 0.00 0.00 54.79 53.52 1ulg n ASP 98 Cb 0.00 0.81 -0.04 0.00 -1.03 0.00 0.00 41.12 40.86 1ulg n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ulg s ARG 99 N -2.64 0.93 0.16 0.11 1.70 -1.26 -1.57 118.95 116.38 1ulg s ARG 99 Ca 0.11 -0.11 -0.04 0.00 -0.47 0.00 0.00 55.73 55.22 1ulg s ARG 99 Cb 0.15 0.43 -0.05 0.00 -0.57 0.00 0.00 34.95 34.91 1ulg s ARG 99 CO 0.70 -0.36 0.39 -0.06 -1.08 0.00 0.00 175.30 174.88 1ulg s PHE 100 N -2.36 3.48 -0.13 5.89 0.40 0.41 -1.00 117.98 124.67 1ulg s PHE 100 Ca -0.01 0.51 -0.01 0.00 -0.60 0.00 0.00 56.93 56.82 1ulg s PHE 100 Cb -0.01 -1.97 -0.02 0.00 0.51 0.00 0.00 43.02 41.53 1ulg s PHE 100 CO -0.03 0.41 -0.11 -1.14 0.70 0.00 0.00 175.22 175.05 1ulg s GLN 101 N -2.85 3.34 -0.23 0.44 0.74 0.11 -0.99 119.66 120.22 1ulg s GLN 101 Ca 0.41 -0.64 0.01 0.00 0.05 0.00 0.00 55.36 55.18 1ulg s GLN 101 Cb -0.12 -2.67 0.04 0.00 1.10 0.00 0.00 33.01 31.36 1ulg s GLN 101 CO 0.26 0.28 -0.13 0.42 -0.55 0.00 0.00 175.29 175.57 1ulg s ILE 102 N 0.20 2.31 -0.21 -2.34 1.09 0.13 -1.43 121.20 120.94 1ulg s ILE 102 Ca -0.06 -1.21 -0.08 0.00 -1.10 0.00 0.00 60.65 58.19 1ulg s ILE 102 Cb -0.15 -2.16 -0.04 0.00 -1.06 0.00 0.00 42.46 39.05 1ulg s ILE 102 CO 0.04 0.25 0.09 -0.13 -0.10 0.00 0.00 174.94 175.09 1ulg s ARG 103 N 1.23 3.90 0.00 2.79 1.81 0.55 -1.83 118.95 127.40 1ulg s ARG 103 Ca -0.01 -0.37 0.00 0.00 -1.72 0.00 0.00 55.73 53.63 1ulg s ARG 103 Cb -0.16 -3.32 0.00 0.00 -0.45 0.00 0.00 34.95 31.02 1ulg s ARG 103 CO -0.08 0.09 0.00 1.19 -0.68 0.00 0.00 175.30 175.82 1ulg n PHE 104 N 4.12 0.00 -0.03 -0.53 3.01 -1.26 -0.26 117.46 122.51 1ulg n PHE 104 Ca -0.16 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.24 1ulg n PHE 104 Cb 0.52 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.86 1ulg n PHE 104 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1ulg n ASP 105 N 0.00 0.62 -4.39 4.37 8.00 0.03 -4.84 116.55 120.35 1ulg n ASP 105 Ca 0.00 0.29 -0.20 0.00 0.71 0.00 0.00 54.79 55.59 1ulg n ASP 105 Cb 0.00 0.34 -0.10 0.00 -0.02 0.00 0.00 41.12 41.34 1ulg n ASP 105 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ulg s TYR 106 N -2.69 1.81 0.48 1.24 4.12 -0.99 -4.93 117.35 116.38 1ulg s TYR 106 Ca -0.06 -0.72 0.00 0.00 0.02 0.00 0.00 57.07 56.31 1ulg s TYR 106 Cb 0.08 -1.00 0.00 0.00 -1.52 0.00 0.00 41.96 39.52 1ulg s TYR 106 CO 0.83 0.23 0.00 0.41 0.02 0.00 0.00 175.55 177.03 1ulg n GLY 107 N -0.50 -3.51 3.50 0.71 0.00 -1.26 -4.82 105.19 99.30 1ulg n GLY 107 Ca -0.06 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 1ulg n GLY 107 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ulg n THR 108 N -3.11 2.37 -0.82 2.61 5.66 -1.26 -4.80 114.28 114.93 1ulg n THR 108 Ca -0.04 -0.50 -0.24 0.00 -3.05 0.00 0.00 64.05 60.22 1ulg n THR 108 Cb 0.46 -0.77 0.21 0.00 -1.55 0.00 0.00 70.33 68.68 1ulg n THR 108 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1ulg n SER 109 N 0.48 -2.18 -4.11 1.09 3.41 -1.26 -4.92 113.62 106.13 1ulg n SER 109 Ca 0.12 -0.98 -0.22 0.00 -0.26 0.00 0.00 58.87 57.53 1ulg n SER 109 Cb 0.45 -0.80 -0.15 0.00 -0.26 0.00 0.00 64.21 63.46 1ulg n SER 109 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1ulg s ILE 110 N -2.47 1.10 -0.04 -1.33 -1.16 -0.76 -4.98 121.20 111.56 1ulg s ILE 110 Ca 0.56 -0.70 0.03 0.00 -0.51 0.00 0.00 60.65 60.04 1ulg s ILE 110 Cb -0.06 -0.94 -0.03 0.00 0.61 0.00 0.00 42.46 42.04 1ulg s ILE 110 CO 0.44 0.23 -0.12 -0.31 -2.81 0.00 0.00 174.94 172.36 1ulg s TYR 111 N -0.46 2.76 -0.15 3.50 1.51 -1.26 0.19 117.35 123.44 1ulg s TYR 111 Ca 0.04 -0.11 -0.01 0.00 -1.01 0.00 0.00 57.07 55.98 1ulg s TYR 111 Cb -0.06 -1.63 0.04 0.00 -0.11 0.00 0.00 41.96 40.20 1ulg s TYR 111 CO -0.00 0.25 -0.04 -0.47 -1.11 0.00 0.00 175.55 174.18 1ulg s TYR 112 N -0.80 1.47 0.28 2.71 5.04 -0.17 -4.98 117.35 120.90 1ulg s TYR 112 Ca 0.13 -0.89 -0.29 0.00 -2.44 0.00 0.00 57.07 53.57 1ulg s TYR 112 Cb -0.11 -1.21 -0.10 0.00 0.35 0.00 0.00 41.96 40.89 1ulg s TYR 112 CO 0.02 -0.56 1.34 -0.80 -1.34 0.00 0.00 175.55 174.20 1ulg s ASN 113 N 1.71 6.79 0.19 4.32 0.01 -1.26 -0.44 114.94 126.25 1ulg s ASN 113 Ca 0.02 2.60 -0.31 0.00 -0.71 0.00 0.00 52.86 54.46 1ulg s ASN 113 Cb -0.15 -2.63 -0.10 0.00 0.41 0.00 0.00 41.25 38.78 1ulg s ASN 113 CO -0.08 -0.56 1.50 -0.54 -1.51 0.00 0.00 177.10 175.91 1ulg s LYS 114 N -1.01 4.24 -0.11 -0.60 1.02 -0.61 -4.88 119.74 117.79 1ulg s LYS 114 Ca 0.53 2.31 0.13 0.00 0.02 0.00 0.00 55.97 58.97 1ulg s LYS 114 Cb -0.39 -3.14 -0.19 0.00 -0.52 0.00 0.00 37.83 33.58 1ulg s LYS 114 CO 0.47 -0.52 0.13 0.54 -0.92 0.00 0.00 175.35 175.04 1ulg n ARG 115 N 3.32 1.35 -4.91 1.68 1.74 -1.26 -4.95 116.66 113.63 1ulg n ARG 115 Ca 0.11 -0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.82 1ulg n ARG 115 Cb 0.40 -1.37 -0.15 0.00 -1.02 0.00 0.00 32.46 30.32 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 -2.54 2.77 -1.40 0.55 1.01 -1.26 -5.04 121.20 115.29 1ulg s ILE 116 Ca -0.07 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 1ulg s ILE 116 Cb 0.06 -2.14 0.08 0.00 0.01 0.00 0.00 42.46 40.47 1ulg s ILE 116 CO 0.60 0.54 2.34 0.29 0.00 0.00 0.00 174.94 178.71 1ulg n LYS 117 N 3.49 3.84 -4.09 2.79 4.76 -1.26 -4.89 118.16 122.79 1ulg n LYS 117 Ca -0.18 -3.07 -0.10 0.00 -2.87 0.00 0.00 58.31 52.09 1ulg n LYS 117 Cb 0.53 -2.86 -0.09 0.00 -1.84 0.00 0.00 35.03 30.77 1ulg n LYS 117 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1ulg s GLU 118 N 0.71 1.08 0.05 1.97 2.02 -1.26 -5.16 118.70 118.11 1ulg s GLU 118 Ca 0.52 -1.38 0.01 0.00 0.02 0.00 0.00 54.97 54.14 1ulg s GLU 118 Cb 0.15 0.30 -0.04 0.00 0.10 0.00 0.00 34.13 34.64 1ulg s GLU 118 CO -0.06 -0.35 0.15 -0.80 0.02 0.00 0.00 175.26 174.22 1ulg s ASN 119 N -3.04 6.04 0.22 -0.19 0.01 -1.26 -5.04 114.94 111.67 1ulg s ASN 119 Ca 0.24 0.18 -0.26 0.00 -0.71 0.00 0.00 52.86 52.31 1ulg s ASN 119 Cb 0.06 -1.79 -0.09 0.00 0.41 0.00 0.00 41.25 39.84 1ulg s ASN 119 CO 0.03 0.19 0.85 0.00 -1.51 0.00 0.00 177.10 176.67 1ulg s ALA 120 N -1.42 3.38 -0.50 0.60 0.00 -0.87 -4.34 121.76 118.61 1ulg s ALA 120 Ca 0.31 0.45 0.11 0.00 0.00 0.00 0.00 51.96 52.84 1ulg s ALA 120 Cb -0.13 -3.06 -0.12 0.00 0.00 0.00 0.00 23.12 19.81 1ulg s ALA 120 CO 0.24 0.25 0.46 0.00 0.00 0.00 0.00 175.76 176.71 1ulg n ALA 121 N 1.33 3.41 -3.20 0.00 0.00 0.52 -0.99 120.51 121.59 1ulg n ALA 121 Ca -0.03 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 52.96 1ulg n ALA 121 Cb 0.49 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.09 -1.06 -0.17 0.00 0.00 -0.69 -0.93 121.76 116.82 1ulg s ALA 122 Ca 0.04 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.39 1ulg s ALA 122 Cb 0.08 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.53 1ulg s ALA 122 CO 0.46 -0.45 -0.18 0.42 0.00 0.00 0.00 175.76 176.02 1ulg s ILE 123 N -2.34 2.33 0.31 0.00 1.01 -0.98 -0.36 121.20 121.17 1ulg s ILE 123 Ca -0.06 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.79 1ulg s ILE 123 Cb -0.01 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 1ulg s ILE 123 CO -0.01 0.52 0.31 0.00 0.00 0.00 0.00 174.94 175.76 1ulg s ALA 124 N 1.11 3.87 -0.16 9.38 0.00 0.31 -1.78 121.76 134.49 1ulg s ALA 124 Ca 0.00 -1.52 -0.07 0.00 0.00 0.00 0.00 51.96 50.38 1ulg s ALA 124 Cb -0.14 -1.36 0.07 0.00 0.00 0.00 0.00 23.12 21.69 1ulg s ALA 124 CO -0.07 0.08 0.36 -0.47 0.00 0.00 0.00 175.76 175.66 1ulg s TYR 125 N -2.21 -0.60 0.03 0.00 5.04 -0.38 -1.62 117.35 117.62 1ulg s TYR 125 Ca 0.39 1.24 0.01 0.00 -2.44 0.00 0.00 57.07 56.27 1ulg s TYR 125 Cb -0.07 0.18 -0.02 0.00 0.35 0.00 0.00 41.96 42.40 1ulg s TYR 125 CO 0.27 -0.38 -0.05 -0.80 -1.34 0.00 0.00 175.55 173.25 1ulg s ASN 126 N 2.08 0.55 0.00 4.32 0.01 -0.39 0.57 114.94 122.07 1ulg s ASN 126 Ca -0.04 -0.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 1ulg s ASN 126 Cb -0.11 0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.60 1ulg s ASN 126 CO -0.11 -0.21 0.00 0.00 -1.51 0.00 0.00 177.10 175.27 1ulg n ALA 127 N 1.71 0.00 0.03 0.60 0.00 -1.26 -0.93 120.51 120.66 1ulg n ALA 127 Ca -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.12 1ulg n ALA 127 Cb 0.55 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.03 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 0.51 -1.23 0.00 4.81 -1.96 -3.40 114.58 113.31 1ulg h GLU 128 Ca 0.00 -0.37 -0.14 0.00 -0.13 0.00 0.00 59.36 58.72 1ulg h GLU 128 Cb 0.00 0.06 -0.22 0.00 0.63 0.00 0.00 28.75 29.23 1ulg h GLU 128 CO 0.00 0.99 -0.51 1.21 -0.73 0.00 0.00 179.01 179.98 1ulg s ASN 129 N -6.97 -0.90 0.61 1.04 2.47 -1.26 -5.10 114.94 104.83 1ulg s ASN 129 Ca -0.07 -0.99 -0.18 0.00 0.42 0.00 0.00 52.86 52.04 1ulg s ASN 129 Cb 0.11 1.63 -0.05 0.00 -1.45 0.00 0.00 41.25 41.49 1ulg s ASN 129 CO 0.85 -0.19 0.94 -0.24 -3.72 0.00 0.00 177.10 174.74 1ulg n SER 130 N 4.35 0.65 0.16 -4.21 2.88 -1.26 -1.81 113.62 114.38 1ulg n SER 130 Ca 0.11 0.79 0.12 0.00 -1.33 0.00 0.00 58.87 58.56 1ulg n SER 130 Cb 0.54 -1.38 0.20 0.00 -0.75 0.00 0.00 64.21 62.82 1ulg n SER 130 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ulg h LEU 131 N 0.41 0.00 0.00 2.46 5.85 -1.79 -3.42 115.31 118.82 1ulg h LEU 131 Ca -0.48 -0.02 -0.55 0.00 0.84 0.00 0.00 57.88 57.66 1ulg h LEU 131 Cb 1.37 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.32 1ulg h LEU 131 CO 0.50 0.01 -0.34 0.49 -0.34 0.00 0.00 178.44 178.76 1ulg n PHE 132 N -2.71 0.27 -1.95 1.25 0.99 -1.26 0.04 117.46 114.08 1ulg n PHE 132 Ca 0.04 -2.15 -0.31 0.00 -0.00 0.00 0.00 57.45 55.03 1ulg n PHE 132 Cb 0.50 -0.34 0.01 0.00 -1.00 0.00 0.00 39.48 38.65 1ulg n PHE 132 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1ulg s SER 133 N -3.65 6.19 -0.22 4.37 1.04 -1.26 -4.84 113.70 115.33 1ulg s SER 133 Ca 0.12 1.35 0.01 0.00 0.48 0.00 0.00 55.95 57.91 1ulg s SER 133 Cb -0.01 -2.41 0.05 0.00 0.10 0.00 0.00 66.02 63.75 1ulg s SER 133 CO 0.08 -0.87 -0.06 -0.55 0.98 0.00 0.00 173.24 172.82 1ulg s SER 134 N -4.18 3.63 0.79 7.02 0.15 -1.26 -3.51 113.70 116.34 1ulg s SER 134 Ca 0.54 -1.06 -0.05 0.00 0.70 0.00 0.00 55.95 56.08 1ulg s SER 134 Cb -0.11 -1.14 0.12 0.00 -1.71 0.00 0.00 66.02 63.18 1ulg s SER 134 CO 0.53 -0.22 0.79 -0.81 1.20 0.00 0.00 173.24 174.73 1ulg n PRO 135 N 4.71 -0.32 -4.16 5.44 -0.04 -1.26 -4.92 135.00 134.44 1ulg n PRO 135 Ca -0.12 -1.68 -0.28 0.00 -0.04 0.00 0.00 63.50 61.37 1ulg n PRO 135 Cb 0.45 -0.67 -0.08 0.00 -0.04 0.00 0.00 33.50 33.16 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 -2.47 3.92 -0.01 0.52 -7.23 -0.59 -4.74 120.40 109.79 1ulg s VAL 136 Ca 0.49 -1.18 -0.21 0.00 -1.81 0.00 0.00 61.98 59.26 1ulg s VAL 136 Cb -0.02 -2.92 -0.05 0.00 0.56 0.00 0.00 36.38 33.95 1ulg s VAL 136 CO 0.33 0.01 0.62 -0.89 -0.31 0.00 0.00 175.10 174.86 1ulg s THR 137 N -1.51 4.91 -0.15 5.32 2.01 0.79 -2.31 115.64 124.70 1ulg s THR 137 Ca 0.27 1.30 -0.01 0.00 0.31 0.00 0.00 61.69 63.56 1ulg s THR 137 Cb -0.11 -3.96 0.04 0.00 0.01 0.00 0.00 72.50 68.48 1ulg s THR 137 CO 0.19 0.39 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.77 1ulg s VAL 138 N -0.04 1.02 -0.28 3.82 1.01 0.32 -0.41 120.40 125.84 1ulg s VAL 138 Ca 0.32 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 1ulg s VAL 138 Cb -0.18 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 1ulg s VAL 138 CO 0.18 0.15 0.11 -1.81 0.00 0.00 0.00 175.10 173.73 1ulg s ASP 139 N 1.68 5.37 -0.24 3.32 1.01 -0.70 0.22 116.67 127.34 1ulg s ASP 139 Ca 0.01 -0.36 -0.07 0.00 0.71 0.00 0.00 52.55 52.84 1ulg s ASP 139 Cb -0.15 -1.97 -0.03 0.00 1.01 0.00 0.00 42.92 41.79 1ulg s ASP 139 CO -0.08 -0.11 0.06 -0.69 0.21 0.00 0.00 175.17 174.55 1ulg s VAL 140 N 1.62 4.27 0.12 -1.27 1.01 0.19 -0.73 120.40 125.60 1ulg s VAL 140 Ca 0.05 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1ulg s VAL 140 Cb -0.16 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1ulg s VAL 140 CO 0.05 0.37 0.01 -1.00 0.00 0.00 0.00 175.10 174.52 1ulg s HIS 141 N 1.41 2.96 -0.54 5.22 3.76 0.12 0.30 115.29 128.52 1ulg s HIS 141 Ca 0.05 -0.05 0.24 0.00 -0.15 0.00 0.00 55.06 55.15 1ulg s HIS 141 Cb -0.15 -1.50 0.49 0.00 1.11 0.00 0.00 32.58 32.53 1ulg s HIS 141 CO 0.03 0.49 1.63 0.78 -0.85 0.00 0.00 174.74 176.82 1ulg h GLY 142 N 3.19 0.00 -3.87 -2.22 0.00 -1.87 -1.28 103.07 97.02 1ulg h GLY 142 Ca -0.48 0.00 0.08 0.00 0.00 0.00 0.00 47.33 46.94 1ulg h GLY 142 CO 0.59 0.00 0.49 0.48 0.00 0.00 0.00 176.54 178.11 1ulg s LEU 143 N -5.51 -0.39 -0.02 3.11 2.34 -1.22 -3.57 118.68 113.42 1ulg s LEU 143 Ca 0.08 0.23 -0.36 0.00 0.06 0.00 0.00 54.13 54.14 1ulg s LEU 143 Cb 0.08 1.99 -0.14 0.00 -0.56 0.00 0.00 46.19 47.56 1ulg s LEU 143 CO 0.65 -0.50 1.64 -0.11 -1.06 0.00 0.00 176.35 176.97 1ulg n LEU 144 N 0.27 2.68 -4.90 1.48 7.94 -1.25 -4.85 117.00 118.36 1ulg n LEU 144 Ca -0.10 1.06 -0.28 0.00 -1.11 0.00 0.00 56.01 55.58 1ulg n LEU 144 Cb 0.60 -1.29 0.02 0.00 0.53 0.00 0.00 43.42 43.28 1ulg n LEU 144 CO 0.14 -0.44 0.59 -2.16 -1.11 0.00 0.00 177.39 174.40 1ulg s PRO 145 N 2.22 3.15 0.23 1.96 0.04 -1.26 -4.99 135.00 136.36 1ulg s PRO 145 Ca 0.88 0.26 -0.30 0.00 0.04 0.00 0.00 61.00 61.88 1ulg s PRO 145 Cb -0.84 -2.21 -0.15 0.00 0.04 0.00 0.00 34.50 31.34 1ulg s PRO 145 CO 0.50 -0.64 0.98 -2.30 0.04 0.00 0.00 177.00 175.58 1ulg n PRO 146 N -2.62 1.06 -3.56 0.56 -0.02 -1.26 -4.93 135.00 124.22 1ulg n PRO 146 Ca 0.04 0.37 -0.37 0.00 -2.02 0.00 0.00 63.50 61.53 1ulg n PRO 146 Cb 0.56 -1.73 -0.07 0.00 -0.02 0.00 0.00 33.50 32.25 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 0.90 4.30 0.82 2.45 1.43 -1.26 -5.08 118.68 122.24 1ulg s LEU 147 Ca 0.65 0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 54.23 1ulg s LEU 147 Cb -0.79 -2.38 0.09 0.00 0.03 0.00 0.00 46.19 43.13 1ulg s LEU 147 CO 0.57 0.17 1.10 -2.16 0.23 0.00 0.00 176.35 176.26 1ulg s PRO 148 N 0.06 1.83 0.65 1.29 0.04 -1.26 -4.85 135.00 132.75 1ulg s PRO 148 Ca 0.18 1.23 0.30 0.00 0.04 0.00 0.00 61.00 62.75 1ulg s PRO 148 Cb -0.13 -1.84 1.65 0.00 0.04 0.00 0.00 34.50 34.21 1ulg s PRO 148 CO 0.06 -1.96 1.92 -1.00 0.04 0.00 0.00 177.00 176.06 1ulg h PRO 149 N -1.36 0.00 0.00 0.56 0.13 -2.06 -3.56 132.00 125.71 1ulg h PRO 149 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ulg h PRO 149 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ulg h PRO 149 CO 0.49 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.26