#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulf s LEU 2 N 0.00 4.40 0.06 -0.89 2.96 -1.26 -0.24 118.68 123.71 1ulf s LEU 2 Ca 0.00 0.98 0.02 0.00 -0.22 0.00 0.00 54.13 54.92 1ulf s LEU 2 Cb 0.00 -2.73 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 1ulf s LEU 2 CO 0.00 0.16 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.79 1ulf s TYR 3 N -0.28 0.81 -0.34 5.38 1.51 0.90 -5.00 117.35 120.33 1ulf s TYR 3 Ca 0.26 -0.62 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1ulf s TYR 3 Cb -0.17 -0.47 0.09 0.00 -0.11 0.00 0.00 41.96 41.30 1ulf s TYR 3 CO 0.14 -0.08 0.06 -1.01 -1.11 0.00 0.00 175.55 173.54 1ulf s HIS 4 N -2.04 3.55 -0.45 2.71 3.76 -1.26 -1.22 115.29 120.34 1ulf s HIS 4 Ca -0.02 -2.54 -0.19 0.00 -0.15 0.00 0.00 55.06 52.16 1ulf s HIS 4 Cb -0.05 -2.71 0.03 0.00 1.11 0.00 0.00 32.58 30.96 1ulf s HIS 4 CO -0.01 -0.92 0.57 -1.17 -0.85 0.00 0.00 174.74 172.36 1ulf s LEU 5 N 1.06 4.72 0.41 0.89 2.96 -0.92 -4.88 118.68 122.92 1ulf s LEU 5 Ca 0.04 -0.57 -0.19 0.00 -0.22 0.00 0.00 54.13 53.19 1ulf s LEU 5 Cb -0.20 -2.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.83 1ulf s LEU 5 CO -0.05 -0.74 0.89 -0.36 -1.32 0.00 0.00 176.35 174.77 1ulf s PHE 6 N 2.55 3.35 0.36 5.38 0.40 -1.26 -1.05 117.98 127.71 1ulf s PHE 6 Ca 0.17 1.47 -0.28 0.00 -0.60 0.00 0.00 56.93 57.69 1ulf s PHE 6 Cb -0.16 -2.74 -0.11 0.00 0.51 0.00 0.00 43.02 40.52 1ulf s PHE 6 CO 0.16 -0.08 1.50 0.54 0.70 0.00 0.00 175.22 178.04 1ulf s VAL 7 N -2.17 2.04 -1.47 -0.44 0.11 -1.26 -1.93 120.40 115.28 1ulf s VAL 7 Ca 0.59 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.68 1ulf s VAL 7 Cb -0.09 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.73 1ulf s VAL 7 CO 0.17 0.01 0.00 0.59 -3.33 0.00 0.00 175.10 172.54 1ulf n ASN 8 N 0.70 -4.69 -0.85 3.54 3.02 0.35 -4.97 115.26 112.36 1ulf n ASN 8 Ca 0.02 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1ulf n ASN 8 Cb 0.39 -3.64 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 1ulf n ASN 8 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ulf n ASN 9 N -0.59 0.32 -3.81 6.41 3.02 -0.81 -4.96 115.26 114.84 1ulf n ASN 9 Ca -0.16 -0.74 -0.10 0.00 -0.03 0.00 0.00 54.58 53.56 1ulf n ASN 9 Cb 0.55 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 1ulf n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ulf s GLN 10 N -1.21 1.67 -0.04 3.52 -2.07 -1.26 -0.91 119.66 119.36 1ulf s GLN 10 Ca 0.00 -1.32 0.03 0.00 -1.82 0.00 0.00 55.36 52.25 1ulf s GLN 10 Cb 0.00 0.49 0.01 0.00 -1.09 0.00 0.00 33.01 32.41 1ulf s GLN 10 CO 0.00 -0.71 -0.10 0.14 -1.32 0.00 0.00 175.29 173.30 1ulf s VAL 11 N -3.75 0.91 -0.33 3.63 -7.23 -0.61 -4.83 120.40 108.19 1ulf s VAL 11 Ca 0.22 -0.41 -0.23 0.00 -1.81 0.00 0.00 61.98 59.75 1ulf s VAL 11 Cb -0.01 -0.82 0.00 0.00 0.56 0.00 0.00 36.38 36.11 1ulf s VAL 11 CO 0.11 0.29 0.78 -0.75 -0.31 0.00 0.00 175.10 175.21 1ulf s LYS 12 N 0.34 3.89 0.26 4.82 2.20 -1.26 -2.32 119.74 127.67 1ulf s LYS 12 Ca -0.06 0.47 -0.29 0.00 -0.36 0.00 0.00 55.97 55.72 1ulf s LYS 12 Cb -0.11 -3.76 -0.09 0.00 -1.51 0.00 0.00 37.83 32.36 1ulf s LYS 12 CO 0.01 -0.73 1.26 -0.51 -0.36 0.00 0.00 175.35 175.02 1ulf s LEU 13 N 2.99 4.45 0.36 5.43 1.43 -0.38 -4.92 118.68 128.04 1ulf s LEU 13 Ca 0.32 2.47 0.08 0.00 -1.03 0.00 0.00 54.13 55.97 1ulf s LEU 13 Cb -0.14 -3.63 0.70 0.00 0.03 0.00 0.00 46.19 43.15 1ulf s LEU 13 CO 0.14 -0.45 1.87 -0.61 0.23 0.00 0.00 176.35 177.54 1ulf h GLN 14 N 4.34 0.30 -5.54 1.70 5.75 -1.95 -3.43 115.11 116.27 1ulf h GLN 14 Ca -0.47 -0.08 -0.45 0.00 -0.15 0.00 0.00 58.65 57.51 1ulf h GLN 14 Cb 1.22 -0.04 -0.21 0.00 1.07 0.00 0.00 27.48 29.52 1ulf h GLN 14 CO 0.71 0.45 -0.79 -0.80 -2.65 0.00 0.00 178.83 175.75 1ulf s ASN 15 N -6.85 1.93 0.42 -0.69 0.02 -1.26 -5.13 114.94 103.37 1ulf s ASN 15 Ca -0.06 -0.67 -0.26 0.00 -1.02 0.00 0.00 52.86 50.86 1ulf s ASN 15 Cb 0.15 -0.07 -0.08 0.00 0.02 0.00 0.00 41.25 41.26 1ulf s ASN 15 CO 0.74 -0.06 1.32 -1.81 0.02 0.00 0.00 177.10 177.32 1ulf s ASP 16 N -1.91 6.20 -0.54 -1.22 1.01 -1.26 -4.92 116.67 114.04 1ulf s ASP 16 Ca 0.02 2.69 -0.27 0.00 0.71 0.00 0.00 52.55 55.71 1ulf s ASP 16 Cb -0.09 -2.64 0.03 0.00 1.01 0.00 0.00 42.92 41.23 1ulf s ASP 16 CO 0.03 -0.93 1.07 0.12 0.21 0.00 0.00 175.17 175.67 1ulf s PHE 17 N -1.26 2.74 0.19 4.23 5.36 0.84 -4.89 117.98 125.19 1ulf s PHE 17 Ca 0.58 0.32 0.02 0.00 -0.96 0.00 0.00 56.93 56.90 1ulf s PHE 17 Cb -0.39 -4.29 -0.01 0.00 -0.34 0.00 0.00 43.02 38.00 1ulf s PHE 17 CO 0.50 -1.40 0.08 0.36 -1.46 0.00 0.00 175.22 173.30 1ulf n LYS 18 N 7.86 0.70 -1.61 10.12 2.85 -1.26 -1.58 118.16 135.24 1ulf n LYS 18 Ca 0.07 -1.66 -0.49 0.00 -1.05 0.00 0.00 58.31 55.17 1ulf n LYS 18 Cb 0.48 0.96 -0.05 0.00 -0.65 0.00 0.00 35.03 35.77 1ulf n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1ulf n PRO 19 N -0.43 1.47 0.00 -1.58 -0.02 -1.26 -0.88 135.00 132.30 1ulf n PRO 19 Ca -0.02 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1ulf n PRO 19 Cb 0.30 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1ulf n PRO 19 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ulf n GLU 20 N 2.46 0.00 -1.71 -0.52 -0.58 0.12 -4.94 120.64 115.47 1ulf n GLU 20 Ca 0.16 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.52 1ulf n GLU 20 Cb 0.24 -0.10 0.05 0.00 -0.57 0.00 0.00 31.44 31.06 1ulf n GLU 20 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1ulf n SER 21 N 0.13 2.16 -3.94 1.62 7.64 -0.06 -3.83 113.62 117.34 1ulf n SER 21 Ca 0.00 0.93 -0.20 0.00 1.01 0.00 0.00 58.87 60.60 1ulf n SER 21 Cb 0.00 -1.53 -0.16 0.00 -1.01 0.00 0.00 64.21 61.51 1ulf n SER 21 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ulf s VAL 22 N -1.34 0.67 -0.20 0.44 1.01 0.45 -1.94 120.40 119.49 1ulf s VAL 22 Ca 0.74 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1ulf s VAL 22 Cb -0.42 -0.65 0.04 0.00 0.00 0.00 0.00 36.38 35.35 1ulf s VAL 22 CO 0.48 0.24 -0.13 0.00 0.00 0.00 0.00 175.10 175.69 1ulf s ALA 23 N 0.64 2.20 -0.37 5.51 0.00 0.44 0.40 121.76 130.58 1ulf s ALA 23 Ca -0.10 -1.31 -0.10 0.00 0.00 0.00 0.00 51.96 50.46 1ulf s ALA 23 Cb -0.13 -1.31 0.04 0.00 0.00 0.00 0.00 23.12 21.72 1ulf s ALA 23 CO 0.01 -0.75 0.19 0.00 0.00 0.00 0.00 175.76 175.21 1ulf s ALA 24 N 1.31 3.23 -0.22 0.00 0.00 -0.24 -0.97 121.76 124.87 1ulf s ALA 24 Ca -0.01 -1.78 -0.11 0.00 0.00 0.00 0.00 51.96 50.06 1ulf s ALA 24 Cb -0.16 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.38 1ulf s ALA 24 CO -0.09 -1.42 0.19 0.42 0.00 0.00 0.00 175.76 174.86 1ulf s ILE 25 N 1.50 5.36 -0.03 0.00 1.01 0.62 -1.76 121.20 127.90 1ulf s ILE 25 Ca 0.01 0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.95 1ulf s ILE 25 Cb -0.20 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1ulf s ILE 25 CO 0.05 0.37 -0.08 -0.13 0.00 0.00 0.00 174.94 175.15 1ulf s ARG 26 N 0.79 0.91 -0.01 2.79 0.52 0.54 -0.92 118.95 123.57 1ulf s ARG 26 Ca 0.10 -0.28 -0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1ulf s ARG 26 Cb -0.13 -0.85 -0.04 0.00 0.52 0.00 0.00 34.95 34.45 1ulf s ARG 26 CO 0.03 0.10 0.07 0.45 0.02 0.00 0.00 175.30 175.97 1ulf s SER 27 N 0.21 5.63 0.00 0.23 0.15 -0.28 -0.33 113.70 119.30 1ulf s SER 27 Ca -0.03 0.14 0.16 0.00 0.70 0.00 0.00 55.95 56.92 1ulf s SER 27 Cb -0.08 -1.61 0.58 0.00 -1.71 0.00 0.00 66.02 63.20 1ulf s SER 27 CO 0.00 0.28 1.43 -1.54 1.20 0.00 0.00 173.24 174.61 1ulf n SER 28 N 1.25 1.63 -3.75 5.45 3.41 -1.26 -3.90 113.62 116.45 1ulf n SER 28 Ca -0.13 -1.81 -0.07 0.00 -0.26 0.00 0.00 58.87 56.59 1ulf n SER 28 Cb 0.53 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 1ulf n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulf s ALA 29 N -1.71 -1.38 -0.26 7.33 0.00 -1.03 -4.79 121.76 119.92 1ulf s ALA 29 Ca 0.28 -0.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.15 1ulf s ALA 29 Cb 0.15 0.81 0.10 0.00 0.00 0.00 0.00 23.12 24.17 1ulf s ALA 29 CO 0.21 -0.98 0.14 0.12 0.00 0.00 0.00 175.76 175.26 1ulf s PHE 30 N -3.77 0.22 -0.72 0.00 5.36 -1.20 -4.05 117.98 113.82 1ulf s PHE 30 Ca 0.09 -0.68 -0.23 0.00 -0.96 0.00 0.00 56.93 55.15 1ulf s PHE 30 Cb -0.04 -0.81 0.07 0.00 -0.34 0.00 0.00 43.02 41.90 1ulf s PHE 30 CO 0.02 -0.77 1.06 -0.80 -1.46 0.00 0.00 175.22 173.27 1ulf s ASN 31 N 2.13 6.24 0.43 6.13 0.01 0.12 -4.89 114.94 125.11 1ulf s ASN 31 Ca 0.08 -1.05 0.20 0.00 -0.71 0.00 0.00 52.86 51.38 1ulf s ASN 31 Cb -0.16 -2.45 1.15 0.00 0.41 0.00 0.00 41.25 40.20 1ulf s ASN 31 CO -0.31 -1.47 1.84 0.77 -1.51 0.00 0.00 177.10 176.42 1ulf h SER 32 N 9.58 0.36 -0.55 -1.22 4.64 -1.94 0.42 113.55 124.83 1ulf h SER 32 Ca -0.21 0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.04 1ulf h SER 32 Cb 1.06 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 63.06 1ulf h SER 32 CO 1.20 0.12 0.15 0.29 -0.87 0.00 0.00 176.83 177.73 1ulf n LYS 33 N -4.50 3.51 -1.70 4.77 5.02 -1.26 -4.96 118.16 119.04 1ulf n LYS 33 Ca 0.21 -2.46 -0.30 0.00 -2.02 0.00 0.00 58.31 53.73 1ulf n LYS 33 Cb 0.78 -2.06 0.08 0.00 -0.02 0.00 0.00 35.03 33.81 1ulf n LYS 33 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ulf s GLY 34 N -0.67 1.61 0.00 0.72 0.00 0.14 -5.07 107.32 104.05 1ulf s GLY 34 Ca 0.44 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.79 1ulf s GLY 34 CO 0.11 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.90 1ulf n GLY 35 N -2.57 3.11 3.71 0.20 0.00 0.91 -4.83 105.19 105.71 1ulf n GLY 35 Ca 0.07 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1ulf n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ulf n THR 36 N 0.00 0.31 -4.53 2.61 -1.04 -1.26 -4.30 114.28 106.08 1ulf n THR 36 Ca 0.00 -0.08 -0.26 0.00 -2.04 0.00 0.00 64.05 61.68 1ulf n THR 36 Cb 0.00 -1.83 -0.17 0.00 -1.82 0.00 0.00 70.33 66.51 1ulf n THR 36 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ulf s THR 37 N 0.74 1.21 0.05 12.58 2.01 0.37 -4.47 115.64 128.13 1ulf s THR 37 Ca 0.73 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 62.31 1ulf s THR 37 Cb -0.56 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1ulf s THR 37 CO 0.39 0.38 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.78 1ulf s VAL 38 N 0.80 2.47 -0.06 3.82 1.01 0.49 -0.50 120.40 128.43 1ulf s VAL 38 Ca -0.12 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 60.54 1ulf s VAL 38 Cb -0.15 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1ulf s VAL 38 CO 0.02 0.32 -0.07 -0.36 0.00 0.00 0.00 175.10 175.01 1ulf s PHE 39 N -0.89 1.04 0.02 5.22 0.40 -0.50 -0.50 117.98 122.77 1ulf s PHE 39 Ca 0.13 -0.36 0.07 0.00 -0.60 0.00 0.00 56.93 56.17 1ulf s PHE 39 Cb -0.10 -0.86 -0.02 0.00 0.51 0.00 0.00 43.02 42.55 1ulf s PHE 39 CO 0.04 -0.26 -0.21 -0.80 0.70 0.00 0.00 175.22 174.69 1ulf s ASN 40 N 0.99 2.44 -0.27 1.36 0.01 -0.18 -0.92 114.94 118.37 1ulf s ASN 40 Ca -0.09 -0.46 -0.07 0.00 -0.71 0.00 0.00 52.86 51.52 1ulf s ASN 40 Cb -0.14 -0.23 -0.01 0.00 0.41 0.00 0.00 41.25 41.27 1ulf s ASN 40 CO 0.00 0.20 0.08 -0.36 -1.51 0.00 0.00 177.10 175.51 1ulf s PHE 41 N -0.66 3.11 -0.05 2.20 0.40 -0.22 -0.20 117.98 122.55 1ulf s PHE 41 Ca 0.08 -0.61 0.01 0.00 -0.60 0.00 0.00 56.93 55.81 1ulf s PHE 41 Cb -0.08 -2.26 -0.03 0.00 0.51 0.00 0.00 43.02 41.16 1ulf s PHE 41 CO 0.01 -0.44 -0.06 -0.51 0.70 0.00 0.00 175.22 174.92 1ulf s LEU 42 N 1.58 3.23 0.86 -0.37 1.43 0.16 -0.96 118.68 124.60 1ulf s LEU 42 Ca 0.05 -0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 52.98 1ulf s LEU 42 Cb -0.16 -1.75 0.12 0.00 0.03 0.00 0.00 46.19 44.43 1ulf s LEU 42 CO 0.03 0.34 1.22 -0.94 0.23 0.00 0.00 176.35 177.23 1ulf s SER 43 N -1.02 4.01 0.50 2.29 1.04 -0.16 0.45 113.70 120.82 1ulf s SER 43 Ca 0.14 0.65 0.18 0.00 0.48 0.00 0.00 55.95 57.40 1ulf s SER 43 Cb -0.11 -1.02 1.23 0.00 0.10 0.00 0.00 66.02 66.22 1ulf s SER 43 CO 0.04 -2.21 2.09 0.00 0.98 0.00 0.00 173.24 174.14 1ulf h ALA 44 N -1.27 1.76 -0.02 5.32 0.00 -1.91 0.30 119.26 123.44 1ulf h ALA 44 Ca -0.46 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1ulf h ALA 44 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ulf h ALA 44 CO 0.58 0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1ulf n GLY 45 N -1.22 -0.84 2.20 0.00 0.00 -1.26 -4.87 105.19 99.21 1ulf n GLY 45 Ca -0.03 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1ulf n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ulf n GLU 46 N -0.59 -0.75 -2.93 1.61 1.02 0.10 -4.72 120.64 114.37 1ulf n GLU 46 Ca 0.11 0.54 -0.36 0.00 -0.02 0.00 0.00 57.16 57.43 1ulf n GLU 46 Cb 0.08 -4.55 -0.06 0.00 -0.02 0.00 0.00 31.44 26.89 1ulf n GLU 46 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ulf s ASN 47 N -2.63 7.19 -0.77 1.62 0.01 -1.26 -4.01 114.94 115.08 1ulf s ASN 47 Ca 0.00 1.63 -0.18 0.00 -0.71 0.00 0.00 52.86 53.61 1ulf s ASN 47 Cb 0.00 -2.50 0.14 0.00 0.41 0.00 0.00 41.25 39.30 1ulf s ASN 47 CO 0.00 -0.04 0.88 -0.63 -1.51 0.00 0.00 177.10 175.80 1ulf s ILE 48 N -1.61 4.97 0.16 0.60 1.01 -0.19 -0.98 121.20 125.15 1ulf s ILE 48 Ca 0.48 -1.55 -0.11 0.00 0.00 0.00 0.00 60.65 59.47 1ulf s ILE 48 Cb -0.17 -4.60 0.01 0.00 0.01 0.00 0.00 42.46 37.71 1ulf s ILE 48 CO 0.22 -1.25 1.56 -0.07 0.00 0.00 0.00 174.94 175.40 1ulf h LEU 49 N 9.62 0.99 -7.38 2.97 3.38 -1.30 -2.14 115.31 121.46 1ulf h LEU 49 Ca -0.03 -0.37 -0.37 0.00 0.09 0.00 0.00 57.88 57.20 1ulf h LEU 49 Cb 1.05 -0.27 -0.38 0.00 0.09 0.00 0.00 40.66 41.15 1ulf h LEU 49 CO 1.02 1.13 -0.74 -0.22 0.09 0.00 0.00 178.44 179.71 1ulf s LEU 50 N -9.18 0.39 -0.19 1.67 2.96 -1.19 -4.65 118.68 108.50 1ulf s LEU 50 Ca -0.12 0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1ulf s LEU 50 Cb 0.12 -0.19 0.00 0.00 0.50 0.00 0.00 46.19 46.62 1ulf s LEU 50 CO 0.86 -0.22 -0.11 -2.28 -1.32 0.00 0.00 176.35 173.28 1ulf s HIS 51 N 1.93 2.87 -0.28 5.38 5.65 -0.11 -1.06 115.29 129.68 1ulf s HIS 51 Ca 0.02 -1.13 0.00 0.00 0.25 0.00 0.00 55.06 54.20 1ulf s HIS 51 Cb -0.12 -2.00 0.05 0.00 -1.18 0.00 0.00 32.58 29.33 1ulf s HIS 51 CO -0.03 -0.59 -0.05 0.42 -0.65 0.00 0.00 174.74 173.84 1ulf s ILE 52 N 1.25 2.63 -0.38 0.89 1.01 -0.09 -2.06 121.20 124.45 1ulf s ILE 52 Ca 0.03 -1.45 -0.03 0.00 0.00 0.00 0.00 60.65 59.20 1ulf s ILE 52 Cb -0.14 -2.51 0.09 0.00 0.01 0.00 0.00 42.46 39.92 1ulf s ILE 52 CO -0.05 -0.04 0.15 -0.55 0.00 0.00 0.00 174.94 174.45 1ulf s SER 53 N 1.20 5.19 -0.41 3.58 0.15 0.58 -1.41 113.70 122.59 1ulf s SER 53 Ca -0.06 -1.80 -0.25 0.00 0.70 0.00 0.00 55.95 54.54 1ulf s SER 53 Cb -0.20 -1.81 0.02 0.00 -1.71 0.00 0.00 66.02 62.33 1ulf s SER 53 CO -0.03 -0.47 0.86 -0.63 1.20 0.00 0.00 173.24 174.18 1ulf s ILE 54 N 1.19 4.60 -0.59 6.45 1.01 0.35 -0.26 121.20 133.94 1ulf s ILE 54 Ca 0.05 0.86 0.03 0.00 0.00 0.00 0.00 60.65 61.59 1ulf s ILE 54 Cb -0.22 -4.32 0.15 0.00 0.01 0.00 0.00 42.46 38.07 1ulf s ILE 54 CO -0.03 -0.62 0.36 -0.13 0.00 0.00 0.00 174.94 174.52 1ulf s ARG 55 N 3.42 2.24 0.41 2.79 0.52 0.34 -0.48 118.95 128.19 1ulf s ARG 55 Ca 0.35 -2.76 0.08 0.00 -0.52 0.00 0.00 55.73 52.87 1ulf s ARG 55 Cb -0.12 -3.45 0.87 0.00 0.52 0.00 0.00 34.95 32.77 1ulf s ARG 55 CO 0.21 -1.16 2.05 -1.00 0.02 0.00 0.00 175.30 175.43 1ulf h PRO 56 N 6.40 0.53 -0.26 3.54 0.13 -1.82 -0.01 132.00 140.51 1ulf h PRO 56 Ca -0.02 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.03 1ulf h PRO 56 Cb 0.88 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1ulf h PRO 56 CO 0.71 0.35 -0.07 0.78 -0.23 0.00 0.00 178.00 179.54 1ulf h GLY 57 N 0.55 0.43 -0.91 1.56 0.00 -1.92 -2.05 103.07 100.73 1ulf h GLY 57 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1ulf h GLY 57 CO -0.04 0.25 -0.14 1.18 0.00 0.00 0.00 176.54 177.79 1ulf n GLU 58 N -4.27 1.63 -3.86 4.80 1.02 -0.78 -4.96 120.64 114.22 1ulf n GLU 58 Ca 0.00 -1.19 -0.27 0.00 -0.02 0.00 0.00 57.16 55.69 1ulf n GLU 58 Cb 0.26 -1.48 0.02 0.00 -0.02 0.00 0.00 31.44 30.23 1ulf n GLU 58 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1ulf n ASN 59 N 0.36 -2.78 -3.71 1.62 5.15 -0.09 -4.94 115.26 110.86 1ulf n ASN 59 Ca 0.14 -0.84 -0.11 0.00 -0.60 0.00 0.00 54.58 53.17 1ulf n ASN 59 Cb 0.45 -3.76 -0.07 0.00 -0.53 0.00 0.00 39.78 35.88 1ulf n ASN 59 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1ulf s VAL 60 N -3.52 0.08 -0.14 3.44 0.11 -0.85 -2.10 120.40 117.42 1ulf s VAL 60 Ca 0.34 -0.64 0.02 0.00 -2.93 0.00 0.00 61.98 58.77 1ulf s VAL 60 Cb -0.17 -1.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.67 1ulf s VAL 60 CO 0.84 -0.35 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.44 1ulf s ILE 61 N -2.86 1.82 -0.10 7.04 1.01 -0.29 -0.50 121.20 127.31 1ulf s ILE 61 Ca -0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 1ulf s ILE 61 Cb 0.00 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 1ulf s ILE 61 CO -0.05 0.50 0.01 -0.69 0.00 0.00 0.00 174.94 174.71 1ulf s VAL 62 N 1.02 4.38 -0.01 2.92 1.01 0.64 -2.52 120.40 127.83 1ulf s VAL 62 Ca -0.04 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1ulf s VAL 62 Cb -0.15 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1ulf s VAL 62 CO -0.04 0.58 -0.26 -0.36 0.00 0.00 0.00 175.10 175.02 1ulf s PHE 63 N -0.64 2.28 0.29 5.22 0.40 0.40 -0.30 117.98 125.62 1ulf s PHE 63 Ca 0.11 -0.43 -0.17 0.00 -0.60 0.00 0.00 56.93 55.84 1ulf s PHE 63 Cb -0.12 -1.45 0.06 0.00 0.51 0.00 0.00 43.02 42.03 1ulf s PHE 63 CO 0.02 -0.01 0.86 -1.71 0.70 0.00 0.00 175.22 175.09 1ulf n ASN 64 N 2.31 -1.97 -3.74 1.36 2.85 -0.87 -2.00 115.26 113.20 1ulf n ASN 64 Ca -0.16 -2.24 -0.11 0.00 -0.11 0.00 0.00 54.58 51.96 1ulf n ASN 64 Cb 0.51 3.25 -0.07 0.00 1.24 0.00 0.00 39.78 44.72 1ulf n ASN 64 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1ulf s SER 65 N -3.14 -0.12 -0.12 1.20 0.01 -1.26 -0.93 113.70 109.34 1ulf s SER 65 Ca 0.18 -0.28 -0.30 0.00 1.31 0.00 0.00 55.95 56.86 1ulf s SER 65 Cb -0.04 0.39 0.12 0.00 0.21 0.00 0.00 66.02 66.70 1ulf s SER 65 CO 0.09 -0.69 1.01 0.00 0.41 0.00 0.00 173.24 174.05 1ulf s ARG 66 N -3.05 0.60 0.62 12.44 1.70 -0.80 -3.26 118.95 127.20 1ulf s ARG 66 Ca -0.02 -0.04 -0.12 0.00 -0.47 0.00 0.00 55.73 55.08 1ulf s ARG 66 Cb 0.01 0.28 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 1ulf s ARG 66 CO -0.06 -0.23 1.03 -0.51 -1.08 0.00 0.00 175.30 174.45 1ulf s LEU 67 N -1.71 3.25 0.23 -1.89 1.43 -1.26 -1.02 118.68 117.71 1ulf s LEU 67 Ca 0.03 1.48 -0.11 0.00 -1.03 0.00 0.00 54.13 54.50 1ulf s LEU 67 Cb -0.01 -4.48 0.33 0.00 0.03 0.00 0.00 46.19 42.07 1ulf s LEU 67 CO -0.03 -0.96 1.40 1.17 0.23 0.00 0.00 176.35 178.15 1ulf n LYS 68 N -2.70 -0.13 -2.23 1.70 4.81 -1.26 -0.85 118.16 117.50 1ulf n LYS 68 Ca 0.06 1.39 -0.20 0.00 -0.87 0.00 0.00 58.31 58.69 1ulf n LYS 68 Cb 0.54 -2.07 0.02 0.00 0.02 0.00 0.00 35.03 33.54 1ulf n LYS 68 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ulf n ASN 69 N -5.41 4.27 -4.66 3.14 3.02 -1.26 -5.01 115.26 109.35 1ulf n ASN 69 Ca 0.12 -3.45 -0.26 0.00 -0.03 0.00 0.00 54.58 50.96 1ulf n ASN 69 Cb 0.41 -0.38 -0.09 0.00 -0.61 0.00 0.00 39.78 39.11 1ulf n ASN 69 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ulf s GLY 70 N -3.61 2.40 0.59 7.41 0.00 -0.03 -5.14 107.32 108.94 1ulf s GLY 70 Ca 0.46 -2.20 -0.08 0.00 0.00 0.00 0.00 44.72 42.90 1ulf s GLY 70 CO -0.00 -2.01 0.94 0.00 0.00 0.00 0.00 173.10 172.02 1ulf s ALA 71 N -2.65 3.20 0.71 3.20 0.00 -1.26 -4.39 121.76 120.57 1ulf s ALA 71 Ca 0.37 -0.41 -0.11 0.00 0.00 0.00 0.00 51.96 51.81 1ulf s ALA 71 Cb 0.07 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.40 1ulf s ALA 71 CO 0.20 -0.70 1.07 -1.58 0.00 0.00 0.00 175.76 174.75 1ulf s TRP 72 N -3.04 2.89 0.00 0.00 0.52 -1.26 -4.48 118.94 113.57 1ulf s TRP 72 Ca 0.53 1.48 0.00 0.00 0.02 0.00 0.00 56.10 58.13 1ulf s TRP 72 Cb -0.11 -2.96 0.00 0.00 -1.15 0.00 0.00 33.47 29.25 1ulf s TRP 72 CO 0.49 -1.45 0.00 0.41 0.02 0.00 0.00 176.95 176.42 1ulf n GLY 73 N -1.56 2.03 3.75 0.98 0.00 -1.20 -5.04 105.19 104.15 1ulf n GLY 73 Ca 0.08 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 1ulf n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ulf s PRO 74 N -1.29 4.42 0.68 1.61 0.04 -1.26 -4.91 135.00 134.30 1ulf s PRO 74 Ca 0.00 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 1ulf s PRO 74 Cb 0.00 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1ulf s PRO 74 CO 0.00 -0.17 1.07 -1.21 0.04 0.00 0.00 177.00 176.73 1ulf s GLU 75 N -0.62 2.92 -0.11 4.56 2.02 -1.26 -4.90 118.70 121.31 1ulf s GLU 75 Ca 0.53 1.07 0.02 0.00 0.02 0.00 0.00 54.97 56.61 1ulf s GLU 75 Cb -0.36 -1.98 0.01 0.00 0.10 0.00 0.00 34.13 31.90 1ulf s GLU 75 CO 0.41 -1.12 -0.15 -1.21 0.02 0.00 0.00 175.26 173.21 1ulf s GLU 76 N -4.73 2.24 0.24 1.61 2.02 -0.85 -4.98 118.70 114.25 1ulf s GLU 76 Ca 0.60 -0.57 0.07 0.00 0.02 0.00 0.00 54.97 55.09 1ulf s GLU 76 Cb -0.15 -1.90 -0.05 0.00 0.10 0.00 0.00 34.13 32.13 1ulf s GLU 76 CO 0.50 -0.06 -0.09 1.03 0.02 0.00 0.00 175.26 176.66 1ulf s ARG 77 N 0.96 1.44 0.02 1.61 0.52 -1.26 -0.45 118.95 121.79 1ulf s ARG 77 Ca -0.07 -1.70 -0.20 0.00 -0.52 0.00 0.00 55.73 53.24 1ulf s ARG 77 Cb -0.15 -1.10 0.04 0.00 0.52 0.00 0.00 34.95 34.27 1ulf s ARG 77 CO -0.01 0.09 0.45 0.96 0.02 0.00 0.00 175.30 176.81 1ulf s ILE 78 N -3.03 0.04 0.45 1.52 -4.36 -1.05 -5.00 121.20 109.78 1ulf s ILE 78 Ca 0.26 -0.36 -0.25 0.00 -0.26 0.00 0.00 60.65 60.05 1ulf s ILE 78 Cb 0.02 -0.90 -0.08 0.00 1.25 0.00 0.00 42.46 42.75 1ulf s ILE 78 CO 0.10 -0.20 1.38 -2.84 0.24 0.00 0.00 174.94 173.62 1ulf s PRO 79 N -2.11 3.67 0.02 0.37 0.02 -1.26 -1.14 135.00 134.58 1ulf s PRO 79 Ca -0.07 2.30 -0.17 0.00 0.02 0.00 0.00 61.00 63.08 1ulf s PRO 79 Cb -0.01 -2.61 -0.35 0.00 0.02 0.00 0.00 34.50 31.55 1ulf s PRO 79 CO 0.01 -0.79 0.99 -0.92 -0.33 0.00 0.00 177.00 175.96 1ulf h TYR 80 N 2.27 0.93 -1.69 6.54 3.20 -1.68 -3.42 116.97 123.11 1ulf h TYR 80 Ca -0.50 -0.67 -0.65 0.00 3.14 0.00 0.00 58.73 60.05 1ulf h TYR 80 Cb 1.27 -0.04 0.11 0.00 1.54 0.00 0.00 36.73 39.60 1ulf h TYR 80 CO 0.50 1.52 -0.17 0.00 -1.64 0.00 0.00 178.16 178.38 1ulf n ALA 81 N -2.71 -1.63 -3.98 1.82 0.00 -1.26 -3.15 120.51 109.60 1ulf n ALA 81 Ca -0.16 0.43 -0.41 0.00 0.00 0.00 0.00 53.44 53.29 1ulf n ALA 81 Cb 1.06 -1.82 0.02 0.00 0.00 0.00 0.00 19.45 18.71 1ulf n ALA 81 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ulf n GLU 82 N 0.97 -0.66 0.00 0.00 0.28 -1.26 -4.89 120.64 115.08 1ulf n GLU 82 Ca 0.14 0.19 0.00 0.00 -0.16 0.00 0.00 57.16 57.34 1ulf n GLU 82 Cb 0.27 -3.10 0.00 0.00 1.43 0.00 0.00 31.44 30.04 1ulf n GLU 82 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1ulf n LYS 83 N -4.77 0.38 -3.98 3.44 4.76 -1.19 -4.64 118.16 112.16 1ulf n LYS 83 Ca -0.12 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.04 1ulf n LYS 83 Cb 0.58 -0.99 -0.04 0.00 -1.84 0.00 0.00 35.03 32.74 1ulf n LYS 83 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ulf s PHE 84 N -1.98 3.39 -0.25 2.13 0.40 -1.26 -0.46 117.98 119.95 1ulf s PHE 84 Ca 0.00 0.11 0.02 0.00 -0.60 0.00 0.00 56.93 56.46 1ulf s PHE 84 Cb 0.00 -1.65 0.05 0.00 0.51 0.00 0.00 43.02 41.93 1ulf s PHE 84 CO 0.00 0.53 -0.10 0.50 0.70 0.00 0.00 175.22 176.85 1ulf s ARG 85 N -2.97 2.43 0.67 0.44 3.52 -1.26 -4.89 118.95 116.89 1ulf s ARG 85 Ca 0.33 -1.23 -0.14 0.00 -0.13 0.00 0.00 55.73 54.56 1ulf s ARG 85 Cb -0.11 -2.90 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 1ulf s ARG 85 CO 0.27 -0.51 1.09 -1.25 -0.81 0.00 0.00 175.30 174.09 1ulf s PRO 86 N 1.17 2.80 0.00 5.12 0.04 -1.26 -2.32 135.00 140.55 1ulf s PRO 86 Ca -0.06 1.27 0.25 0.00 0.04 0.00 0.00 61.00 62.51 1ulf s PRO 86 Cb -0.19 -1.96 0.53 0.00 0.04 0.00 0.00 34.50 32.92 1ulf s PRO 86 CO -0.05 -1.23 1.43 -0.35 0.04 0.00 0.00 177.00 176.83 1ulf n PRO 87 N -2.62 1.17 -3.34 0.56 -0.04 -1.26 -4.88 135.00 124.59 1ulf n PRO 87 Ca 0.10 -0.81 -0.29 0.00 -0.04 0.00 0.00 63.50 62.45 1ulf n PRO 87 Cb 0.52 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.44 1ulf n PRO 87 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ulf n ASN 88 N -0.21 4.20 -4.74 3.54 5.03 -1.20 -2.47 115.26 119.41 1ulf n ASN 88 Ca 0.12 -3.46 -0.32 0.00 0.87 0.00 0.00 54.58 51.79 1ulf n ASN 88 Cb 0.40 -0.75 0.10 0.00 -1.02 0.00 0.00 39.78 38.51 1ulf n ASN 88 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1ulf s PRO 89 N -2.59 2.11 0.17 3.52 0.04 -0.98 -4.64 135.00 132.61 1ulf s PRO 89 Ca 0.39 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.88 1ulf s PRO 89 Cb 0.14 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.79 1ulf s PRO 89 CO -0.00 -1.80 0.15 -1.54 0.04 0.00 0.00 177.00 173.85 1ulf s SER 90 N -2.63 0.18 -0.06 6.66 1.04 -1.26 -1.13 113.70 116.50 1ulf s SER 90 Ca 0.68 -1.18 -0.02 0.00 0.48 0.00 0.00 55.95 55.90 1ulf s SER 90 Cb -0.23 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.30 1ulf s SER 90 CO 0.49 -0.82 0.13 -0.63 0.98 0.00 0.00 173.24 173.39 1ulf s ILE 91 N -4.06 -0.06 -0.12 -1.02 1.01 -0.10 -3.92 121.20 112.93 1ulf s ILE 91 Ca 0.27 0.19 0.03 0.00 0.00 0.00 0.00 60.65 61.15 1ulf s ILE 91 Cb 0.06 -0.22 0.00 0.00 0.01 0.00 0.00 42.46 42.31 1ulf s ILE 91 CO 0.05 0.08 -0.23 -0.89 0.00 0.00 0.00 174.94 173.95 1ulf s THR 92 N 1.20 2.05 -0.11 2.92 2.01 0.90 -0.28 115.64 124.33 1ulf s THR 92 Ca -0.09 -1.00 0.04 0.00 0.31 0.00 0.00 61.69 60.95 1ulf s THR 92 Cb -0.12 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.61 1ulf s THR 92 CO -0.06 0.55 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.51 1ulf s VAL 93 N 0.54 2.01 -0.06 3.82 1.01 -0.15 -0.85 120.40 126.72 1ulf s VAL 93 Ca -0.14 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 60.91 1ulf s VAL 93 Cb -0.17 -1.75 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 1ulf s VAL 93 CO 0.04 0.55 -0.20 -0.63 0.00 0.00 0.00 175.10 174.86 1ulf s ILE 94 N 0.48 1.65 -0.35 2.22 1.01 -0.36 -0.42 121.20 125.43 1ulf s ILE 94 Ca -0.16 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.49 1ulf s ILE 94 Cb -0.17 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 1ulf s ILE 94 CO 0.06 0.47 0.47 -0.62 0.00 0.00 0.00 174.94 175.32 1ulf s ASP 95 N 0.08 6.28 -0.36 3.58 -1.08 -0.82 -1.08 116.67 123.28 1ulf s ASP 95 Ca -0.07 -0.07 0.08 0.00 -0.52 0.00 0.00 52.55 51.96 1ulf s ASP 95 Cb -0.13 -2.25 0.65 0.00 -1.46 0.00 0.00 42.92 39.73 1ulf s ASP 95 CO 0.04 -0.44 1.76 1.41 0.52 0.00 0.00 175.17 178.45 1ulf n HIS 96 N 5.64 2.32 0.00 -5.34 8.25 0.11 0.14 115.22 126.34 1ulf n HIS 96 Ca -0.06 -1.55 0.00 0.00 -0.26 0.00 0.00 57.72 55.85 1ulf n HIS 96 Cb 0.49 -0.73 0.00 0.00 1.12 0.00 0.00 29.99 30.87 1ulf n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ulf n GLY 97 N -0.82 1.99 0.68 -1.41 0.00 -1.26 -4.14 105.19 100.24 1ulf n GLY 97 Ca 0.46 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.47 1ulf n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ulf n ASP 98 N 3.94 2.41 -3.49 1.61 5.68 -1.26 -4.95 116.55 120.49 1ulf n ASP 98 Ca 0.00 -1.71 -0.09 0.00 -0.50 0.00 0.00 54.79 52.49 1ulf n ASP 98 Cb 0.00 0.26 -0.02 0.00 -1.14 0.00 0.00 41.12 40.22 1ulf n ASP 98 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ulf s ARG 99 N -2.19 0.87 0.02 0.11 1.70 -1.26 -2.25 118.95 115.96 1ulf s ARG 99 Ca 0.22 -0.31 -0.01 0.00 -0.47 0.00 0.00 55.73 55.16 1ulf s ARG 99 Cb 0.18 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.93 1ulf s ARG 99 CO 0.43 -0.38 0.16 -0.06 -1.08 0.00 0.00 175.30 174.38 1ulf s PHE 100 N -3.15 3.46 -0.14 5.89 0.40 0.26 -0.72 117.98 123.99 1ulf s PHE 100 Ca 0.04 0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.66 1ulf s PHE 100 Cb -0.01 -1.77 -0.00 0.00 0.51 0.00 0.00 43.02 41.75 1ulf s PHE 100 CO -0.09 0.60 -0.18 -1.14 0.70 0.00 0.00 175.22 175.11 1ulf s GLN 101 N -2.12 3.17 -0.12 0.44 0.74 -0.24 -1.27 119.66 120.26 1ulf s GLN 101 Ca 0.29 -0.79 0.03 0.00 0.05 0.00 0.00 55.36 54.94 1ulf s GLN 101 Cb -0.13 -2.53 0.00 0.00 1.10 0.00 0.00 33.01 31.46 1ulf s GLN 101 CO 0.21 0.06 -0.23 0.42 -0.55 0.00 0.00 175.29 175.21 1ulf s ILE 102 N 0.67 2.09 -0.05 -2.34 1.09 0.74 -1.23 121.20 122.18 1ulf s ILE 102 Ca -0.09 -0.99 0.04 0.00 -1.10 0.00 0.00 60.65 58.51 1ulf s ILE 102 Cb -0.16 -1.82 -0.00 0.00 -1.06 0.00 0.00 42.46 39.42 1ulf s ILE 102 CO 0.02 0.55 -0.18 -0.13 -0.10 0.00 0.00 174.94 175.11 1ulf s ARG 103 N 0.57 1.93 0.00 2.79 0.52 -0.03 -0.04 118.95 124.69 1ulf s ARG 103 Ca -0.13 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 1ulf s ARG 103 Cb -0.17 -1.64 0.00 0.00 0.52 0.00 0.00 34.95 33.66 1ulf s ARG 103 CO 0.04 0.22 0.00 1.19 0.02 0.00 0.00 175.30 176.77 1ulf n PHE 104 N 3.25 0.00 0.06 -0.53 3.01 -1.26 -0.07 117.46 121.92 1ulf n PHE 104 Ca -0.19 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.14 1ulf n PHE 104 Cb 0.53 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.86 1ulf n PHE 104 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1ulf h ASP 105 N 0.00 0.26 -3.01 4.37 3.32 -0.94 -3.46 116.42 116.96 1ulf h ASP 105 Ca 0.00 -0.32 -0.49 0.00 0.02 0.00 0.00 57.03 56.24 1ulf h ASP 105 Cb 0.00 -0.08 -0.14 0.00 0.22 0.00 0.00 39.33 39.33 1ulf h ASP 105 CO 0.00 1.26 -0.66 -0.31 -1.72 0.00 0.00 179.24 177.82 1ulf s TYR 106 N -2.65 1.95 0.01 4.55 1.51 0.39 -4.94 117.35 118.17 1ulf s TYR 106 Ca -0.05 -0.76 0.00 0.00 -1.01 0.00 0.00 57.07 55.25 1ulf s TYR 106 Cb 0.08 -1.16 0.00 0.00 -0.11 0.00 0.00 41.96 40.77 1ulf s TYR 106 CO 0.85 0.21 0.00 0.41 -1.11 0.00 0.00 175.55 175.91 1ulf n GLY 107 N -0.61 -2.17 3.88 0.71 0.00 -1.26 -4.76 105.19 100.98 1ulf n GLY 107 Ca -0.05 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 1ulf n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ulf s THR 108 N -0.63 4.77 0.85 2.61 -4.23 -1.26 -4.91 115.64 112.85 1ulf s THR 108 Ca 0.00 0.67 -0.11 0.00 -1.18 0.00 0.00 61.69 61.07 1ulf s THR 108 Cb 0.00 -3.86 0.10 0.00 1.34 0.00 0.00 72.50 70.09 1ulf s THR 108 CO 0.00 -1.01 1.10 -0.44 -0.54 0.00 0.00 174.62 173.73 1ulf s SER 109 N -4.07 3.78 -0.13 3.99 0.01 -1.26 -4.85 113.70 111.17 1ulf s SER 109 Ca 0.53 1.78 -0.01 0.00 1.31 0.00 0.00 55.95 59.55 1ulf s SER 109 Cb -0.11 -2.42 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 1ulf s SER 109 CO 0.49 -2.49 -0.11 -0.63 0.41 0.00 0.00 173.24 170.91 1ulf s ILE 110 N -2.85 3.25 -0.18 1.44 1.09 0.94 -4.93 121.20 119.95 1ulf s ILE 110 Ca 0.63 -0.60 -0.04 0.00 -1.10 0.00 0.00 60.65 59.55 1ulf s ILE 110 Cb -0.19 -2.37 -0.02 0.00 -1.06 0.00 0.00 42.46 38.82 1ulf s ILE 110 CO 0.57 0.52 -0.03 -0.31 -0.10 0.00 0.00 174.94 175.59 1ulf s TYR 111 N 0.28 2.99 -0.22 3.97 1.51 -1.26 -0.18 117.35 124.43 1ulf s TYR 111 Ca -0.08 -0.53 0.02 0.00 -1.01 0.00 0.00 57.07 55.46 1ulf s TYR 111 Cb -0.15 -2.02 0.05 0.00 -0.11 0.00 0.00 41.96 39.72 1ulf s TYR 111 CO 0.05 -0.24 -0.12 -0.47 -1.11 0.00 0.00 175.55 173.66 1ulf s TYR 112 N 0.84 2.82 0.40 2.71 5.04 -0.40 -4.99 117.35 123.78 1ulf s TYR 112 Ca -0.01 -1.92 -0.26 0.00 -2.44 0.00 0.00 57.07 52.44 1ulf s TYR 112 Cb -0.15 -1.80 -0.09 0.00 0.35 0.00 0.00 41.96 40.28 1ulf s TYR 112 CO 0.02 -0.81 1.25 -0.80 -1.34 0.00 0.00 175.55 173.86 1ulf s ASN 113 N 1.26 6.40 0.51 4.32 0.02 -1.26 -0.57 114.94 125.61 1ulf s ASN 113 Ca -0.04 2.54 -0.22 0.00 -1.02 0.00 0.00 52.86 54.12 1ulf s ASN 113 Cb -0.17 -2.63 -0.06 0.00 0.02 0.00 0.00 41.25 38.41 1ulf s ASN 113 CO -0.07 -0.78 1.22 -0.54 0.02 0.00 0.00 177.10 176.95 1ulf s LYS 114 N -2.24 3.43 0.00 -0.60 1.02 -0.95 -4.86 119.74 115.54 1ulf s LYS 114 Ca 0.57 1.90 0.00 0.00 0.02 0.00 0.00 55.97 58.46 1ulf s LYS 114 Cb -0.35 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 1ulf s LYS 114 CO 0.45 -0.85 0.00 0.54 -0.92 0.00 0.00 175.35 174.57 1ulf n ARG 115 N -0.87 3.91 -3.88 1.68 1.74 -1.26 -4.98 116.66 113.01 1ulf n ARG 115 Ca 0.09 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.93 1ulf n ARG 115 Cb 0.48 -0.65 -0.17 0.00 -1.02 0.00 0.00 32.46 31.09 1ulf n ARG 115 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ulf s ILE 116 N -1.25 0.74 -1.25 0.55 1.01 -1.26 -5.08 121.20 114.66 1ulf s ILE 116 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.38 1ulf s ILE 116 Cb 0.00 -0.82 0.14 0.00 0.01 0.00 0.00 42.46 41.79 1ulf s ILE 116 CO 0.00 0.32 1.56 2.29 0.00 0.00 0.00 174.94 179.11 1ulf n LYS 117 N 4.97 3.32 -3.83 2.79 2.85 -1.26 -4.89 118.16 122.11 1ulf n LYS 117 Ca -0.11 -3.64 -0.09 0.00 -1.05 0.00 0.00 58.31 53.41 1ulf n LYS 117 Cb 0.50 -3.18 -0.06 0.00 -0.65 0.00 0.00 35.03 31.64 1ulf n LYS 117 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1ulf s GLU 118 N 2.36 1.08 0.42 -1.58 2.02 -1.26 -5.17 118.70 116.57 1ulf s GLU 118 Ca 0.46 -0.97 0.02 0.00 0.02 0.00 0.00 54.97 54.51 1ulf s GLU 118 Cb 0.00 0.41 -0.00 0.00 0.10 0.00 0.00 34.13 34.64 1ulf s GLU 118 CO 0.02 -0.40 0.61 -0.80 0.02 0.00 0.00 175.26 174.71 1ulf s ASN 119 N -2.89 5.86 -0.02 -0.19 0.01 -1.26 -5.02 114.94 111.43 1ulf s ASN 119 Ca 0.09 0.12 -0.15 0.00 -0.71 0.00 0.00 52.86 52.22 1ulf s ASN 119 Cb 0.03 -1.41 -0.05 0.00 0.41 0.00 0.00 41.25 40.22 1ulf s ASN 119 CO -0.06 -0.63 0.40 0.00 -1.51 0.00 0.00 177.10 175.30 1ulf s ALA 120 N -2.44 3.69 -0.60 0.60 0.00 -0.61 -4.29 121.76 118.10 1ulf s ALA 120 Ca 0.48 -0.24 0.13 0.00 0.00 0.00 0.00 51.96 52.33 1ulf s ALA 120 Cb -0.10 -2.39 -0.15 0.00 0.00 0.00 0.00 23.12 20.49 1ulf s ALA 120 CO 0.36 0.44 0.55 0.00 0.00 0.00 0.00 175.76 177.11 1ulf n ALA 121 N 2.01 3.68 -3.31 0.00 0.00 0.17 -0.11 120.51 122.95 1ulf n ALA 121 Ca -0.14 -0.37 -0.11 0.00 0.00 0.00 0.00 53.44 52.82 1ulf n ALA 121 Cb 0.52 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 1ulf n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulf s ALA 122 N -2.27 -1.26 -0.10 0.00 0.00 -0.86 -1.24 121.76 116.03 1ulf s ALA 122 Ca 0.05 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.16 1ulf s ALA 122 Cb 0.10 0.83 0.02 0.00 0.00 0.00 0.00 23.12 24.07 1ulf s ALA 122 CO 0.54 -0.76 -0.11 0.42 0.00 0.00 0.00 175.76 175.85 1ulf s ILE 123 N -3.80 1.19 0.18 0.00 1.01 -0.98 -0.67 121.20 118.13 1ulf s ILE 123 Ca 0.04 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.32 1ulf s ILE 123 Cb -0.01 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 1ulf s ILE 123 CO -0.09 0.38 0.03 0.00 0.00 0.00 0.00 174.94 175.26 1ulf s ALA 124 N 1.18 3.27 -0.08 9.38 0.00 0.72 -1.58 121.76 134.64 1ulf s ALA 124 Ca -0.04 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 1ulf s ALA 124 Cb -0.14 -1.04 0.03 0.00 0.00 0.00 0.00 23.12 21.96 1ulf s ALA 124 CO -0.03 0.46 -0.03 -0.47 0.00 0.00 0.00 175.76 175.69 1ulf s TYR 125 N -1.80 0.96 -0.01 0.00 5.04 -0.09 -1.02 117.35 120.44 1ulf s TYR 125 Ca 0.29 -0.37 0.05 0.00 -2.44 0.00 0.00 57.07 54.60 1ulf s TYR 125 Cb -0.09 -0.94 -0.01 0.00 0.35 0.00 0.00 41.96 41.26 1ulf s TYR 125 CO 0.20 -0.38 -0.17 -0.80 -1.34 0.00 0.00 175.55 173.06 1ulf s ASN 126 N 1.78 1.95 0.00 4.32 0.01 0.34 0.13 114.94 123.47 1ulf s ASN 126 Ca 0.03 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 1ulf s ASN 126 Cb -0.13 -0.21 0.00 0.00 0.41 0.00 0.00 41.25 41.33 1ulf s ASN 126 CO -0.06 0.19 0.00 0.00 -1.51 0.00 0.00 177.10 175.72 1ulf n ALA 127 N 2.59 0.00 0.07 0.60 0.00 -1.26 -0.38 120.51 122.13 1ulf n ALA 127 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.12 1ulf n ALA 127 Cb 0.54 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.85 1ulf n ALA 127 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ulf h GLU 128 N 0.00 0.26 -2.15 0.00 5.08 -1.96 -3.41 114.58 112.40 1ulf h GLU 128 Ca 0.00 -0.44 -0.52 0.00 -1.00 0.00 0.00 59.36 57.40 1ulf h GLU 128 Cb 0.00 0.16 -0.35 0.00 0.50 0.00 0.00 28.75 29.07 1ulf h GLU 128 CO 0.00 1.13 -0.90 1.21 -1.00 0.00 0.00 179.01 179.45 1ulf s ASN 129 N -7.01 0.99 0.39 1.42 2.47 -1.26 -5.07 114.94 106.87 1ulf s ASN 129 Ca -0.08 -2.83 -0.25 0.00 0.42 0.00 0.00 52.86 50.11 1ulf s ASN 129 Cb 0.07 -0.06 -0.11 0.00 -1.45 0.00 0.00 41.25 39.70 1ulf s ASN 129 CO 0.86 -0.16 1.08 -0.24 -3.72 0.00 0.00 177.10 174.92 1ulf n SER 130 N 2.90 1.61 0.21 -4.21 2.88 -1.26 -0.06 113.62 115.68 1ulf n SER 130 Ca 0.27 1.09 0.10 0.00 -1.33 0.00 0.00 58.87 59.00 1ulf n SER 130 Cb 0.49 -1.38 0.29 0.00 -0.75 0.00 0.00 64.21 62.86 1ulf n SER 130 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ulf h LEU 131 N 1.80 0.00 0.00 2.46 5.85 -1.83 -3.43 115.31 120.16 1ulf h LEU 131 Ca -0.44 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 57.68 1ulf h LEU 131 Cb 1.33 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.28 1ulf h LEU 131 CO 0.58 0.20 -0.34 0.49 -0.34 0.00 0.00 178.44 179.03 1ulf n PHE 132 N -3.21 0.03 -1.88 1.25 0.99 -1.26 -0.71 117.46 112.67 1ulf n PHE 132 Ca 0.02 -2.33 -0.30 0.00 -0.00 0.00 0.00 57.45 54.83 1ulf n PHE 132 Cb 0.52 -0.40 0.04 0.00 -1.00 0.00 0.00 39.48 38.65 1ulf n PHE 132 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1ulf s SER 133 N -3.99 5.48 -0.13 4.37 1.04 -1.26 -4.85 113.70 114.36 1ulf s SER 133 Ca 0.19 1.14 -0.00 0.00 0.48 0.00 0.00 55.95 57.76 1ulf s SER 133 Cb -0.02 -1.95 0.03 0.00 0.10 0.00 0.00 66.02 64.18 1ulf s SER 133 CO 0.12 -1.32 -0.07 -0.55 0.98 0.00 0.00 173.24 172.40 1ulf s SER 134 N -4.35 2.40 0.80 7.02 0.15 -1.26 -3.85 113.70 114.60 1ulf s SER 134 Ca 0.58 -0.42 -0.02 0.00 0.70 0.00 0.00 55.95 56.79 1ulf s SER 134 Cb -0.11 -0.87 0.04 0.00 -1.71 0.00 0.00 66.02 63.36 1ulf s SER 134 CO 0.52 -0.14 0.23 -0.81 1.20 0.00 0.00 173.24 174.24 1ulf n PRO 135 N 4.92 0.02 -4.23 5.44 -0.04 -1.26 -4.95 135.00 134.89 1ulf n PRO 135 Ca -0.12 -0.43 -0.27 0.00 -0.04 0.00 0.00 63.50 62.64 1ulf n PRO 135 Cb 0.49 -0.21 -0.08 0.00 -0.04 0.00 0.00 33.50 33.66 1ulf n PRO 135 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ulf s VAL 136 N -1.12 3.57 -0.01 0.52 -7.23 -0.22 -4.75 120.40 111.17 1ulf s VAL 136 Ca 0.14 -1.50 -0.21 0.00 -1.81 0.00 0.00 61.98 58.60 1ulf s VAL 136 Cb -0.00 -2.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.09 1ulf s VAL 136 CO 0.09 -0.11 0.61 -0.89 -0.31 0.00 0.00 175.10 174.49 1ulf s THR 137 N -1.73 4.91 -0.15 5.32 2.01 0.55 -2.15 115.64 124.39 1ulf s THR 137 Ca 0.27 1.27 -0.02 0.00 0.31 0.00 0.00 61.69 63.52 1ulf s THR 137 Cb -0.09 -3.95 0.05 0.00 0.01 0.00 0.00 72.50 68.52 1ulf s THR 137 CO 0.18 0.41 0.02 -0.69 -0.69 0.00 0.00 174.62 173.85 1ulf s VAL 138 N -0.12 0.45 -0.27 3.82 1.01 -0.36 -0.34 120.40 124.59 1ulf s VAL 138 Ca 0.32 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 1ulf s VAL 138 Cb -0.18 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1ulf s VAL 138 CO 0.17 -0.04 0.13 -1.81 0.00 0.00 0.00 175.10 173.55 1ulf s ASP 139 N 1.91 5.54 -0.20 3.32 1.11 -0.72 -0.07 116.67 127.56 1ulf s ASP 139 Ca 0.01 -0.15 -0.05 0.00 0.18 0.00 0.00 52.55 52.54 1ulf s ASP 139 Cb -0.15 -2.01 -0.02 0.00 1.07 0.00 0.00 42.92 41.80 1ulf s ASP 139 CO -0.07 -0.06 -0.01 -0.69 1.18 0.00 0.00 175.17 175.52 1ulf s VAL 140 N 1.68 3.81 -0.05 -1.27 1.01 0.67 -1.08 120.40 125.17 1ulf s VAL 140 Ca 0.06 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 1ulf s VAL 140 Cb -0.16 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1ulf s VAL 140 CO 0.07 0.43 0.00 -1.00 0.00 0.00 0.00 175.10 174.60 1ulf s HIS 141 N 1.07 3.12 -0.65 5.22 3.76 0.16 -0.68 115.29 127.29 1ulf s HIS 141 Ca 0.02 0.14 0.26 0.00 -0.15 0.00 0.00 55.06 55.32 1ulf s HIS 141 Cb -0.14 -1.73 0.84 0.00 1.11 0.00 0.00 32.58 32.65 1ulf s HIS 141 CO 0.01 0.46 1.76 0.78 -0.85 0.00 0.00 174.74 176.90 1ulf h GLY 142 N 4.77 0.00 -2.87 -2.22 0.00 -1.86 0.13 103.07 101.02 1ulf h GLY 142 Ca -0.50 0.00 0.05 0.00 0.00 0.00 0.00 47.33 46.88 1ulf h GLY 142 CO 0.56 0.00 0.32 0.48 0.00 0.00 0.00 176.54 177.89 1ulf s LEU 143 N -4.64 -0.43 0.10 3.11 2.34 -1.25 -3.74 118.68 114.17 1ulf s LEU 143 Ca 0.09 -0.14 -0.31 0.00 0.06 0.00 0.00 54.13 53.83 1ulf s LEU 143 Cb 0.11 2.42 -0.09 0.00 -0.56 0.00 0.00 46.19 48.07 1ulf s LEU 143 CO 0.56 -0.93 1.68 -0.22 -1.06 0.00 0.00 176.35 176.38 1ulf s LEU 144 N -2.72 4.37 0.61 1.48 0.20 -1.26 -4.80 118.68 116.56 1ulf s LEU 144 Ca 0.05 2.58 -0.07 0.00 0.69 0.00 0.00 54.13 57.38 1ulf s LEU 144 Cb -0.02 -3.57 0.01 0.00 -0.43 0.00 0.00 46.19 42.18 1ulf s LEU 144 CO -0.07 -0.91 0.93 -2.16 -0.29 0.00 0.00 176.35 173.85 1ulf s PRO 145 N 2.41 2.90 0.27 0.98 0.04 -1.26 -5.00 135.00 135.34 1ulf s PRO 145 Ca 0.75 0.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.55 1ulf s PRO 145 Cb -0.42 -2.24 -0.14 0.00 0.04 0.00 0.00 34.50 31.74 1ulf s PRO 145 CO 0.33 -0.76 1.14 -2.30 0.04 0.00 0.00 177.00 175.45 1ulf n PRO 146 N -2.65 1.56 -3.82 0.56 -0.02 -1.26 -4.96 135.00 124.41 1ulf n PRO 146 Ca 0.05 0.55 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 1ulf n PRO 146 Cb 0.58 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.99 1ulf n PRO 146 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ulf s LEU 147 N 0.16 4.34 0.64 2.45 1.43 -1.26 -5.10 118.68 121.35 1ulf s LEU 147 Ca 0.62 0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 54.04 1ulf s LEU 147 Cb -0.69 -2.90 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 1ulf s LEU 147 CO 0.58 0.18 1.03 -2.16 0.23 0.00 0.00 176.35 176.21 1ulf s PRO 148 N -2.25 3.22 0.27 1.29 0.04 -1.26 -4.96 135.00 131.35 1ulf s PRO 148 Ca 0.33 0.52 -0.00 0.00 0.04 0.00 0.00 61.00 61.89 1ulf s PRO 148 Cb -0.13 -2.09 0.58 0.00 0.04 0.00 0.00 34.50 32.90 1ulf s PRO 148 CO 0.23 -0.76 1.74 -1.35 0.04 0.00 0.00 177.00 176.90 1ulf h PRO 149 N -0.41 0.52 0.00 0.56 0.11 -2.06 -3.56 132.00 127.16 1ulf h PRO 149 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ulf h PRO 149 Cb 1.22 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ulf h PRO 149 CO 0.63 0.35 0.00 0.00 -0.21 0.00 0.00 178.00 178.76