#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1huk n TYR 2 N 0.00 0.00 -4.13 -1.42 4.19 0.07 -4.51 117.16 111.36 1huk n TYR 2 Ca 0.00 0.00 -0.06 0.00 3.31 0.00 0.00 57.90 61.15 1huk n TYR 2 Cb 0.00 -0.11 -0.01 0.00 0.49 0.00 0.00 39.34 39.71 1huk n TYR 2 CO 0.00 0.00 0.00 0.25 0.91 0.00 0.00 176.86 178.02 1huk n THR 3 N -3.02 0.00 -5.01 2.97 -2.24 -0.03 -4.86 114.28 102.08 1huk n THR 3 Ca -0.03 -0.43 -0.28 0.00 -2.27 0.00 0.00 64.05 61.04 1huk n THR 3 Cb 0.11 0.10 -0.16 0.00 -2.10 0.00 0.00 70.33 68.28 1huk n THR 3 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1huk s THR 4 N -1.42 1.66 -0.33 4.28 2.01 -1.26 -0.04 115.64 120.53 1huk s THR 4 Ca 0.01 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.17 1huk s THR 4 Cb 0.00 -1.40 0.09 0.00 0.01 0.00 0.00 72.50 71.20 1huk s THR 4 CO 0.01 0.47 0.04 -0.60 -0.69 0.00 0.00 174.62 173.84 1huk s ARG 5 N -0.24 1.72 -0.13 4.92 3.52 0.30 -4.85 118.95 124.20 1huk s ARG 5 Ca 0.02 -1.75 -0.19 0.00 -0.13 0.00 0.00 55.73 53.67 1huk s ARG 5 Cb -0.10 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 1huk s ARG 5 CO 0.01 -0.88 0.52 -1.14 -0.81 0.00 0.00 175.30 173.00 1huk s GLN 6 N 0.98 4.33 -0.33 5.12 0.74 -1.26 -0.57 119.66 128.67 1huk s GLN 6 Ca 0.06 0.51 -0.09 0.00 0.05 0.00 0.00 55.36 55.89 1huk s GLN 6 Cb -0.20 -3.46 0.01 0.00 1.10 0.00 0.00 33.01 30.46 1huk s GLN 6 CO -0.07 0.08 0.15 0.42 -0.55 0.00 0.00 175.29 175.33 1huk s ILE 7 N 0.85 4.44 0.00 -2.34 1.09 -0.06 -0.63 121.20 124.56 1huk s ILE 7 Ca 0.27 -0.63 0.00 0.00 -1.10 0.00 0.00 60.65 59.20 1huk s ILE 7 Cb -0.16 -3.34 0.00 0.00 -1.06 0.00 0.00 42.46 37.90 1huk s ILE 7 CO 0.11 -0.03 0.00 0.61 -0.10 0.00 0.00 174.94 175.53 1huk n GLY 8 N 4.96 -1.48 3.76 6.18 0.00 -0.42 -2.31 105.19 115.87 1huk n GLY 8 Ca -0.13 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 1huk n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1huk s ALA 9 N -1.16 3.54 0.62 4.61 0.00 -1.26 -1.50 121.76 126.60 1huk s ALA 9 Ca 0.00 -0.73 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 1huk s ALA 9 Cb 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 1huk s ALA 9 CO 0.00 0.57 1.05 1.17 0.00 0.00 0.00 175.76 178.55 1huk n LYS 10 N 2.19 0.94 -3.07 0.00 4.81 -1.26 -3.55 118.16 118.22 1huk n LYS 10 Ca -0.19 0.37 -0.13 0.00 -0.87 0.00 0.00 58.31 57.49 1huk n LYS 10 Cb 0.54 -2.27 0.06 0.00 0.02 0.00 0.00 35.03 33.39 1huk n LYS 10 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1huk n ASN 11 N -1.11 -2.39 -3.63 3.14 3.02 -1.26 -0.03 115.26 113.00 1huk n ASN 11 Ca 0.14 -0.45 -0.16 0.00 -0.03 0.00 0.00 54.58 54.09 1huk n ASN 11 Cb 0.48 -3.87 -0.07 0.00 -0.61 0.00 0.00 39.78 35.70 1huk n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1huk s THR 12 N -3.26 0.02 0.35 3.41 2.01 -1.23 -4.69 115.64 112.25 1huk s THR 12 Ca 0.05 -0.20 0.21 0.00 0.31 0.00 0.00 61.69 62.06 1huk s THR 12 Cb -0.02 -0.83 0.20 0.00 0.01 0.00 0.00 72.50 71.86 1huk s THR 12 CO 0.53 -0.11 1.93 -0.07 -0.69 0.00 0.00 174.62 176.21 1huk h LEU 13 N 3.46 0.00 -0.08 4.42 3.38 -1.95 -3.12 115.31 121.42 1huk h LEU 13 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1huk h LEU 13 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1huk h LEU 13 CO 0.38 0.24 0.00 1.21 0.09 0.00 0.00 178.44 180.36 1huk n GLU 14 N -3.78 0.13 -2.29 1.13 2.13 -1.26 -4.89 120.64 111.81 1huk n GLU 14 Ca -0.01 0.16 -0.42 0.00 0.66 0.00 0.00 57.16 57.55 1huk n GLU 14 Cb 0.34 -1.67 -0.03 0.00 0.27 0.00 0.00 31.44 30.35 1huk n GLU 14 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1huk s TYR 15 N -3.08 3.33 0.03 4.31 5.04 -1.18 -4.60 117.35 121.19 1huk s TYR 15 Ca 0.11 1.12 0.02 0.00 -2.44 0.00 0.00 57.07 55.87 1huk s TYR 15 Cb 0.14 -3.56 -0.02 0.00 0.35 0.00 0.00 41.96 38.88 1huk s TYR 15 CO 0.51 -1.85 -0.06 0.15 -1.34 0.00 0.00 175.55 172.96 1huk s LYS 16 N 1.12 0.45 -0.17 4.97 1.02 -0.98 -4.38 119.74 121.77 1huk s LYS 16 Ca 0.62 -0.63 -0.00 0.00 0.02 0.00 0.00 55.97 55.97 1huk s LYS 16 Cb -0.33 -0.20 0.04 0.00 -0.52 0.00 0.00 37.83 36.82 1huk s LYS 16 CO 0.30 0.03 -0.07 0.08 -0.92 0.00 0.00 175.35 174.77 1huk s VAL 17 N -1.20 1.25 0.21 3.17 1.01 0.01 -0.88 120.40 123.96 1huk s VAL 17 Ca -0.10 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1huk s VAL 17 Cb -0.09 -1.39 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 1huk s VAL 17 CO 0.00 0.15 0.58 -0.31 0.00 0.00 0.00 175.10 175.52 1huk s TYR 18 N 1.57 3.50 -0.14 5.22 1.51 0.26 -0.63 117.35 128.65 1huk s TYR 18 Ca 0.00 1.02 -0.17 0.00 -1.01 0.00 0.00 57.07 56.91 1huk s TYR 18 Cb -0.15 -2.36 -0.04 0.00 -0.11 0.00 0.00 41.96 39.30 1huk s TYR 18 CO -0.08 0.32 0.45 0.42 -1.11 0.00 0.00 175.55 175.55 1huk s ILE 19 N -1.68 5.19 0.04 2.71 1.01 -1.26 -0.54 121.20 126.67 1huk s ILE 19 Ca 0.44 0.88 0.02 0.00 0.00 0.00 0.00 60.65 61.99 1huk s ILE 19 Cb -0.13 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1huk s ILE 19 CO 0.20 0.31 0.06 -1.61 0.00 0.00 0.00 174.94 173.89 1huk s GLU 20 N 0.81 2.89 -0.17 2.79 2.02 0.94 -0.84 118.70 127.14 1huk s GLU 20 Ca 0.24 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.62 1huk s GLU 20 Cb -0.15 -2.74 0.03 0.00 0.10 0.00 0.00 34.13 31.37 1huk s GLU 20 CO 0.09 0.60 -0.14 0.21 0.02 0.00 0.00 175.26 176.04 1huk s LYS 21 N -1.99 2.36 -0.99 1.61 2.47 0.89 -0.75 119.74 123.35 1huk s LYS 21 Ca 0.25 -0.69 -0.05 0.00 -1.56 0.00 0.00 55.97 53.92 1huk s LYS 21 Cb -0.12 -2.28 0.01 0.00 -1.46 0.00 0.00 37.83 33.98 1huk s LYS 21 CO 0.16 -0.28 0.64 -0.25 0.16 0.00 0.00 175.35 175.78 1huk n ASP 22 N 4.72 -4.87 0.00 1.43 8.00 -1.26 -1.90 116.55 122.67 1huk n ASP 22 Ca -0.17 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.04 1huk n ASP 22 Cb 0.49 -3.58 0.00 0.00 -0.02 0.00 0.00 41.12 38.01 1huk n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1huk n GLY 23 N -1.42 0.84 3.32 0.44 0.00 -1.26 -5.01 105.19 102.10 1huk n GLY 23 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1huk n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1huk s LYS 24 N -0.15 2.60 0.12 1.61 1.02 -0.80 -5.01 119.74 119.14 1huk s LYS 24 Ca 0.00 -0.85 -0.35 0.00 0.02 0.00 0.00 55.97 54.79 1huk s LYS 24 Cb 0.00 -2.24 -0.15 0.00 -0.52 0.00 0.00 37.83 34.91 1huk s LYS 24 CO 0.00 0.42 1.47 -2.30 -0.92 0.00 0.00 175.35 174.02 1huk n PRO 25 N 2.86 1.65 -4.52 -1.68 -0.02 -1.26 -0.08 135.00 131.96 1huk n PRO 25 Ca -0.17 0.60 -0.25 0.00 -2.02 0.00 0.00 63.50 61.66 1huk n PRO 25 Cb 0.52 -2.30 -0.11 0.00 -0.02 0.00 0.00 33.50 31.59 1huk n PRO 25 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1huk s VAL 26 N 0.76 1.89 -0.03 -1.45 -7.23 -0.02 -4.55 120.40 109.77 1huk s VAL 26 Ca 0.82 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.58 1huk s VAL 26 Cb -0.82 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 33.38 1huk s VAL 26 CO 0.43 -0.15 1.37 -0.55 -0.31 0.00 0.00 175.10 175.88 1huk s SER 27 N -3.57 6.88 0.40 4.85 0.15 -1.25 -4.35 113.70 116.80 1huk s SER 27 Ca 0.33 2.03 0.21 0.00 0.70 0.00 0.00 55.95 59.22 1huk s SER 27 Cb 0.05 -2.56 0.66 0.00 -1.71 0.00 0.00 66.02 62.47 1huk s SER 27 CO 0.15 -0.71 1.71 0.00 1.20 0.00 0.00 173.24 175.60 1huk h ALA 28 N 7.91 0.93 0.08 5.45 0.00 -1.45 -0.87 119.26 131.31 1huk h ALA 28 Ca -0.36 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 1huk h ALA 28 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1huk h ALA 28 CO 0.91 0.37 -0.04 0.35 0.00 0.00 0.00 179.25 180.84 1huk h PHE 29 N 0.00 -0.10 0.00 0.00 3.04 -1.80 -3.43 116.94 114.65 1huk h PHE 29 Ca -0.00 -0.00 -0.22 0.00 3.98 0.00 0.00 57.97 61.73 1huk h PHE 29 Cb 0.93 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 39.43 1huk h PHE 29 CO 0.00 0.42 -1.86 0.72 -2.02 0.00 0.00 178.31 175.57 1huk n HIS 30 N -4.87 0.00 0.87 0.41 8.25 -1.15 -0.71 115.22 118.03 1huk n HIS 30 Ca -0.08 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.48 1huk n HIS 30 Cb 0.28 -0.61 -0.12 0.00 1.12 0.00 0.00 29.99 30.66 1huk n HIS 30 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1huk n ASP 31 N -2.44 0.88 -4.60 0.41 8.00 -0.34 -4.74 116.55 113.73 1huk n ASP 31 Ca -0.20 -0.88 -0.41 0.00 0.71 0.00 0.00 54.79 54.01 1huk n ASP 31 Cb 0.88 1.11 -0.06 0.00 -0.02 0.00 0.00 41.12 43.03 1huk n ASP 31 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1huk s ILE 32 N -3.03 4.88 0.11 0.53 1.01 -1.24 -4.88 121.20 118.59 1huk s ILE 32 Ca 0.06 0.90 -0.35 0.00 0.00 0.00 0.00 60.65 61.26 1huk s ILE 32 Cb 0.16 -4.06 -0.17 0.00 0.01 0.00 0.00 42.46 38.40 1huk s ILE 32 CO 0.86 -0.21 1.17 -2.65 0.00 0.00 0.00 174.94 174.11 1huk n PRO 33 N 6.01 0.87 -0.18 2.79 -0.02 -1.26 -4.33 135.00 138.88 1huk n PRO 33 Ca 0.00 0.31 -0.01 0.00 -2.02 0.00 0.00 63.50 61.78 1huk n PRO 33 Cb 0.49 -1.83 0.08 0.00 -0.02 0.00 0.00 33.50 32.22 1huk n PRO 33 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1huk h LEU 34 N 3.56 0.15 -9.16 2.45 5.85 -1.90 -3.38 115.31 112.89 1huk h LEU 34 Ca -0.45 0.08 -0.63 0.00 0.84 0.00 0.00 57.88 57.72 1huk h LEU 34 Cb 1.36 0.07 -0.15 0.00 0.37 0.00 0.00 40.66 42.32 1huk h LEU 34 CO 0.71 0.10 -0.56 -0.31 -0.34 0.00 0.00 178.44 178.04 1huk s TYR 35 N -6.12 3.27 -0.19 1.25 2.02 -1.26 -0.52 117.35 115.80 1huk s TYR 35 Ca -0.13 0.12 0.17 0.00 -0.37 0.00 0.00 57.07 56.87 1huk s TYR 35 Cb 0.16 -2.04 0.03 0.00 -0.40 0.00 0.00 41.96 39.71 1huk s TYR 35 CO 0.74 0.24 1.23 0.00 -1.57 0.00 0.00 175.55 176.18 1huk h ALA 36 N 6.39 0.68 -1.29 3.71 0.00 -0.96 -3.44 119.26 124.36 1huk h ALA 36 Ca -0.40 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 53.93 1huk h ALA 36 Cb 1.17 0.05 -0.23 0.00 0.00 0.00 0.00 17.79 18.78 1huk h ALA 36 CO 0.68 0.56 -0.50 0.34 0.00 0.00 0.00 179.25 180.33 1huk s ASP 37 N -6.09 -0.74 0.30 0.00 -1.08 -0.78 -4.99 116.67 103.29 1huk s ASP 37 Ca 0.02 -0.70 0.06 0.00 -0.52 0.00 0.00 52.55 51.40 1huk s ASP 37 Cb 0.08 1.58 0.48 0.00 -1.46 0.00 0.00 42.92 43.59 1huk s ASP 37 CO 0.76 -0.24 1.73 0.07 0.52 0.00 0.00 175.17 178.01 1huk h LYS 38 N 7.37 0.30 -0.48 4.34 2.10 -1.84 0.80 116.57 129.16 1huk h LYS 38 Ca 0.02 -0.13 0.01 0.00 -2.00 0.00 0.00 60.65 58.55 1huk h LYS 38 Cb 1.15 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.44 1huk h LYS 38 CO 0.15 0.61 0.30 0.93 -2.00 0.00 0.00 179.45 179.45 1huk h GLU 39 N 0.26 0.60 -0.28 0.07 3.07 -1.96 -2.44 114.58 113.90 1huk h GLU 39 Ca 0.03 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1huk h GLU 39 Cb 0.73 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1huk h GLU 39 CO 0.06 0.39 0.00 0.09 -1.40 0.00 0.00 179.01 178.15 1huk n ASN 40 N -4.78 3.27 -1.82 1.42 3.02 -1.03 -4.95 115.26 110.39 1huk n ASN 40 Ca 0.02 -1.98 -0.13 0.00 -0.03 0.00 0.00 54.58 52.46 1huk n ASN 40 Cb 0.04 -0.17 0.02 0.00 -0.61 0.00 0.00 39.78 39.06 1huk n ASN 40 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1huk n ASN 41 N 1.42 -4.15 -4.60 6.41 3.02 0.11 -4.99 115.26 112.48 1huk n ASN 41 Ca 0.18 -0.17 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 1huk n ASN 41 Cb 0.60 -3.02 -0.07 0.00 -0.61 0.00 0.00 39.78 36.67 1huk n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1huk s ILE 42 N -2.90 5.00 0.28 2.41 -1.09 -0.23 -4.46 121.20 120.21 1huk s ILE 42 Ca 0.17 0.79 0.03 0.00 -2.23 0.00 0.00 60.65 59.41 1huk s ILE 42 Cb -0.08 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 1huk s ILE 42 CO 0.22 -0.06 0.44 -0.36 -1.23 0.00 0.00 174.94 173.95 1huk s PHE 43 N 2.45 3.47 -0.26 3.97 0.08 -0.15 -0.41 117.98 127.13 1huk s PHE 43 Ca 0.23 0.16 -0.16 0.00 0.12 0.00 0.00 56.93 57.28 1huk s PHE 43 Cb -0.15 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1huk s PHE 43 CO 0.11 0.30 0.43 -0.80 -0.10 0.00 0.00 175.22 175.15 1huk s ASN 44 N -3.95 6.34 -0.13 1.36 0.01 0.32 -1.79 114.94 117.10 1huk s ASN 44 Ca 0.37 0.40 -0.10 0.00 -0.71 0.00 0.00 52.86 52.81 1huk s ASN 44 Cb -0.09 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.28 1huk s ASN 44 CO 0.32 -0.21 0.21 -0.32 -1.51 0.00 0.00 177.10 175.59 1huk s MET 45 N 2.07 3.85 -0.34 -0.60 -2.45 0.16 -4.23 119.30 117.76 1huk s MET 45 Ca 0.18 -0.02 -0.14 0.00 -1.25 0.00 0.00 55.69 54.46 1huk s MET 45 Cb -0.16 -3.29 -0.02 0.00 1.25 0.00 0.00 34.83 32.61 1huk s MET 45 CO 0.09 0.55 0.31 0.08 1.05 0.00 0.00 175.02 177.10 1huk s VAL 46 N -0.42 5.22 -0.04 10.11 1.01 -0.32 -1.19 120.40 134.77 1huk s VAL 46 Ca 0.15 -0.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.79 1huk s VAL 46 Cb -0.13 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1huk s VAL 46 CO 0.04 -0.05 0.92 -0.69 0.00 0.00 0.00 175.10 175.32 1huk s VAL 47 N 1.89 4.89 -0.20 2.92 1.01 0.59 -1.47 120.40 130.03 1huk s VAL 47 Ca 0.09 1.92 -0.07 0.00 0.00 0.00 0.00 61.98 63.92 1huk s VAL 47 Cb -0.17 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 31.86 1huk s VAL 47 CO 0.11 0.14 -0.24 -0.62 0.00 0.00 0.00 175.10 174.49 1huk n GLU 48 N 4.19 0.43 -3.89 2.72 1.02 0.10 -0.58 120.64 124.62 1huk n GLU 48 Ca 0.05 0.17 -0.30 0.00 -0.02 0.00 0.00 57.16 57.06 1huk n GLU 48 Cb 0.50 -1.25 -0.16 0.00 -0.02 0.00 0.00 31.44 30.51 1huk n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1huk s ILE 49 N -2.37 1.28 0.63 -3.67 1.01 -0.37 -4.50 121.20 113.21 1huk s ILE 49 Ca -0.27 -1.03 -0.19 0.00 0.00 0.00 0.00 60.65 59.16 1huk s ILE 49 Cb 0.10 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 1huk s ILE 49 CO 0.37 -0.10 1.30 -2.84 0.00 0.00 0.00 174.94 173.67 1huk s PRO 50 N 1.51 2.67 0.18 2.79 0.02 -1.26 -0.58 135.00 140.32 1huk s PRO 50 Ca -0.04 2.08 -0.33 0.00 0.02 0.00 0.00 61.00 62.73 1huk s PRO 50 Cb -0.18 -1.91 -0.14 0.00 0.02 0.00 0.00 34.50 32.29 1huk s PRO 50 CO -0.07 -1.52 1.53 -2.13 -0.33 0.00 0.00 177.00 174.49 1huk n ARG 51 N -1.75 2.09 -1.23 5.54 0.63 -1.21 -2.53 116.66 118.21 1huk n ARG 51 Ca 0.15 0.75 -0.01 0.00 -0.92 0.00 0.00 57.85 57.82 1huk n ARG 51 Cb 0.48 -2.49 -0.00 0.00 0.45 0.00 0.00 32.46 30.89 1huk n ARG 51 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1huk n TRP 52 N 3.05 -0.01 -3.92 -0.14 8.01 0.40 -4.94 117.44 119.89 1huk n TRP 52 Ca 0.16 0.00 -0.26 0.00 -1.31 0.00 0.00 57.50 56.09 1huk n TRP 52 Cb 0.29 -0.74 -0.02 0.00 -2.01 0.00 0.00 31.31 28.82 1huk n TRP 52 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 1huk s THR 53 N -2.04 1.86 0.00 -0.99 -4.23 -1.05 -4.67 115.64 104.52 1huk s THR 53 Ca 0.00 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1huk s THR 53 Cb 0.00 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1huk s THR 53 CO 0.00 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.67 1huk n ASN 54 N -1.63 3.09 -4.70 3.99 4.13 -1.26 -1.52 115.26 117.36 1huk n ASN 54 Ca -0.02 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.82 1huk n ASN 54 Cb 0.64 0.32 -0.03 0.00 -1.54 0.00 0.00 39.78 39.18 1huk n ASN 54 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1huk s ALA 55 N -1.60 3.67 -1.40 5.41 0.00 -1.26 0.12 121.76 126.71 1huk s ALA 55 Ca 0.00 1.18 -0.14 0.00 0.00 0.00 0.00 51.96 52.99 1huk s ALA 55 Cb 0.00 -3.64 0.07 0.00 0.00 0.00 0.00 23.12 19.54 1huk s ALA 55 CO 0.00 -0.94 2.06 1.17 0.00 0.00 0.00 175.76 178.05 1huk n LYS 56 N 5.00 3.03 -2.71 0.00 0.00 -0.31 -4.88 118.16 118.29 1huk n LYS 56 Ca 0.14 -2.89 -0.42 0.00 0.00 0.00 0.00 58.31 55.14 1huk n LYS 56 Cb 0.41 -3.27 -0.03 0.00 0.00 0.00 0.00 35.03 32.13 1huk n LYS 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1huk s LEU 57 N 2.27 4.38 0.01 3.14 1.43 -1.26 -0.28 118.68 128.36 1huk s LEU 57 Ca 0.47 1.67 0.03 0.00 -1.03 0.00 0.00 54.13 55.27 1huk s LEU 57 Cb 0.11 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 1huk s LEU 57 CO -0.04 -0.25 -0.08 -1.61 0.23 0.00 0.00 176.35 174.60 1huk s GLU 58 N 0.95 0.63 -0.17 1.70 2.02 0.93 -4.61 118.70 120.14 1huk s GLU 58 Ca 0.52 -0.39 -0.36 0.00 0.02 0.00 0.00 54.97 54.76 1huk s GLU 58 Cb -0.21 -0.58 -0.12 0.00 0.10 0.00 0.00 34.13 33.32 1huk s GLU 58 CO 0.28 0.15 1.90 -0.89 0.02 0.00 0.00 175.26 176.72 1huk n ILE 59 N 2.57 0.47 -2.88 -1.63 5.41 -1.26 -1.40 119.36 120.64 1huk n ILE 59 Ca -0.15 -0.12 -0.43 0.00 1.00 0.00 0.00 62.75 63.04 1huk n ILE 59 Cb 0.57 -1.72 -0.04 0.00 -0.71 0.00 0.00 39.64 37.73 1huk n ILE 59 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1huk s THR 60 N 4.51 4.37 0.61 1.39 2.01 -0.36 -4.91 115.64 123.26 1huk s THR 60 Ca 0.96 -0.40 0.33 0.00 0.31 0.00 0.00 61.69 62.89 1huk s THR 60 Cb -0.79 -4.66 0.37 0.00 0.01 0.00 0.00 72.50 67.43 1huk s THR 60 CO 0.54 -1.41 2.26 0.11 -0.69 0.00 0.00 174.62 175.43 1huk h LYS 61 N 9.52 0.00 -0.22 4.92 1.57 -1.90 -2.32 116.57 128.15 1huk h LYS 61 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1huk h LYS 61 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1huk h LYS 61 CO 1.17 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 179.20 1huk n GLU 62 N -3.68 2.65 -4.70 3.15 0.00 -1.26 -0.22 120.64 116.58 1huk n GLU 62 Ca -0.02 -2.65 -0.33 0.00 0.00 0.00 0.00 57.16 54.16 1huk n GLU 62 Cb 0.11 -1.68 -0.12 0.00 0.00 0.00 0.00 31.44 29.75 1huk n GLU 62 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1huk s GLU 63 N -2.53 2.57 0.22 3.44 2.56 -0.87 -4.57 118.70 119.52 1huk s GLU 63 Ca 0.37 -0.66 -0.31 0.00 0.00 0.00 0.00 54.97 54.36 1huk s GLU 63 Cb 0.29 -2.47 -0.10 0.00 2.00 0.00 0.00 34.13 33.85 1huk s GLU 63 CO 0.08 0.63 1.54 0.99 -0.56 0.00 0.00 175.26 177.94 1huk s THR 64 N -0.82 2.49 -0.44 -1.70 2.01 -1.26 -0.49 115.64 115.43 1huk s THR 64 Ca 0.13 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1huk s THR 64 Cb -0.11 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.16 1huk s THR 64 CO 0.02 0.05 0.00 0.18 -0.69 0.00 0.00 174.62 174.18 1huk n LEU 65 N 3.06 0.40 -3.84 4.42 4.77 -1.26 -4.39 117.00 120.17 1huk n LEU 65 Ca 0.10 0.10 -0.32 0.00 -0.03 0.00 0.00 56.01 55.86 1huk n LEU 65 Cb 0.39 -2.37 0.02 0.00 -2.33 0.00 0.00 43.42 39.12 1huk n LEU 65 CO 0.62 -0.92 -0.14 0.59 -1.33 0.00 0.00 177.39 176.21 1huk n ASN 66 N -0.93 -3.51 -4.75 -1.43 3.02 0.36 -1.62 115.26 106.39 1huk n ASN 66 Ca -0.04 -1.07 -0.32 0.00 -0.03 0.00 0.00 54.58 53.12 1huk n ASN 66 Cb 0.49 -2.97 0.09 0.00 -0.61 0.00 0.00 39.78 36.77 1huk n ASN 66 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1huk s PRO 67 N -6.41 2.28 -0.27 3.52 0.04 -1.26 -4.04 135.00 128.85 1huk s PRO 67 Ca 0.33 1.37 -0.26 0.00 0.04 0.00 0.00 61.00 62.47 1huk s PRO 67 Cb -0.13 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1huk s PRO 67 CO 0.89 -1.65 0.93 0.42 0.04 0.00 0.00 177.00 177.63 1huk s ILE 68 N -2.56 4.71 0.11 0.56 1.01 0.20 -1.23 121.20 124.00 1huk s ILE 68 Ca 0.66 1.63 0.07 0.00 0.00 0.00 0.00 60.65 63.00 1huk s ILE 68 Cb -0.21 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 1huk s ILE 68 CO 0.50 -0.24 -0.16 -0.63 0.00 0.00 0.00 174.94 174.41 1huk s ILE 69 N 3.15 1.42 0.17 2.92 1.01 -0.49 -0.81 121.20 128.57 1huk s ILE 69 Ca 0.39 -1.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.14 1huk s ILE 69 Cb -0.14 -1.46 -0.07 0.00 0.01 0.00 0.00 42.46 40.79 1huk s ILE 69 CO 0.10 -0.27 1.10 -1.58 0.00 0.00 0.00 174.94 174.28 1huk s GLN 70 N -2.28 4.59 0.60 2.79 0.74 -1.26 -0.05 119.66 124.80 1huk s GLN 70 Ca 0.06 1.71 -0.19 0.00 0.05 0.00 0.00 55.36 57.00 1huk s GLN 70 Cb -0.07 -3.28 -0.03 0.00 1.10 0.00 0.00 33.01 30.72 1huk s GLN 70 CO 0.04 0.07 1.22 0.34 -0.55 0.00 0.00 175.29 176.40 1huk s ASP 71 N -0.07 5.08 0.10 6.67 2.15 0.62 -4.88 116.67 126.34 1huk s ASP 71 Ca 0.49 2.42 0.07 0.00 0.43 0.00 0.00 52.55 55.96 1huk s ASP 71 Cb -0.29 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 39.69 1huk s ASP 71 CO 0.35 -1.67 -0.16 0.42 -0.17 0.00 0.00 175.17 173.94 1huk s THR 72 N -1.58 1.41 -0.14 1.71 -4.23 -1.26 -0.38 115.64 111.17 1huk s THR 72 Ca 0.78 -1.56 0.01 0.00 -1.18 0.00 0.00 61.69 59.74 1huk s THR 72 Cb -0.31 -1.42 0.02 0.00 1.34 0.00 0.00 72.50 72.12 1huk s THR 72 CO 0.34 -0.25 -0.16 -0.75 -0.54 0.00 0.00 174.62 173.26 1huk s LYS 73 N -2.19 2.45 -1.73 3.99 2.20 0.98 -4.68 119.74 120.76 1huk s LYS 73 Ca 0.05 -0.63 -0.19 0.00 -0.36 0.00 0.00 55.97 54.85 1huk s LYS 73 Cb -0.08 -2.15 0.17 0.00 -1.51 0.00 0.00 37.83 34.26 1huk s LYS 73 CO 0.03 -0.17 0.75 1.63 -0.36 0.00 0.00 175.35 177.23 1huk n LYS 74 N 4.55 -2.75 0.00 4.03 5.02 -1.26 -0.49 118.16 127.26 1huk n LYS 74 Ca -0.18 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1huk n LYS 74 Cb 0.50 -5.01 0.00 0.00 -0.02 0.00 0.00 35.03 30.50 1huk n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1huk n GLY 75 N -1.36 2.30 3.88 0.72 0.00 -1.26 -5.02 105.19 104.44 1huk n GLY 75 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1huk n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1huk s LYS 76 N -0.30 3.57 0.29 1.61 -2.85 0.36 -5.00 119.74 117.41 1huk s LYS 76 Ca 0.00 -0.03 -0.28 0.00 -1.00 0.00 0.00 55.97 54.66 1huk s LYS 76 Cb 0.00 -3.14 -0.14 0.00 -2.06 0.00 0.00 37.83 32.48 1huk s LYS 76 CO 0.00 0.71 1.02 1.28 0.10 0.00 0.00 175.35 178.46 1huk n LEU 77 N 1.55 1.83 -4.56 2.77 4.77 -1.26 -0.02 117.00 122.08 1huk n LEU 77 Ca -0.15 1.18 -0.35 0.00 -0.03 0.00 0.00 56.01 56.66 1huk n LEU 77 Cb 0.54 -1.29 -0.11 0.00 -2.33 0.00 0.00 43.42 40.22 1huk n LEU 77 CO 0.37 -1.37 -0.27 -0.60 -1.33 0.00 0.00 177.39 174.18 1huk s ARG 78 N -1.51 3.83 -0.03 3.23 3.52 0.49 -4.72 118.95 123.76 1huk s ARG 78 Ca 0.59 -0.41 0.07 0.00 -0.13 0.00 0.00 55.73 55.86 1huk s ARG 78 Cb -0.70 -3.23 -0.02 0.00 -1.56 0.00 0.00 34.95 29.44 1huk s ARG 78 CO 0.60 0.11 -0.25 -0.06 -0.81 0.00 0.00 175.30 174.88 1huk s PHE 79 N 0.81 2.29 0.12 5.12 0.40 -1.26 -1.16 117.98 124.30 1huk s PHE 79 Ca 0.03 -0.50 -0.30 0.00 -0.60 0.00 0.00 56.93 55.56 1huk s PHE 79 Cb -0.14 -1.48 -0.06 0.00 0.51 0.00 0.00 43.02 41.85 1huk s PHE 79 CO 0.02 -0.08 1.03 0.08 0.70 0.00 0.00 175.22 176.97 1huk s VAL 80 N -0.48 4.26 0.67 -0.44 1.01 0.33 -4.91 120.40 120.85 1huk s VAL 80 Ca 0.06 1.85 -0.11 0.00 0.00 0.00 0.00 61.98 63.78 1huk s VAL 80 Cb -0.11 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 1huk s VAL 80 CO 0.00 0.27 1.06 -0.13 0.00 0.00 0.00 175.10 176.30 1huk s ARG 81 N 0.05 3.13 -0.20 2.72 1.81 -1.26 -4.69 118.95 120.51 1huk s ARG 81 Ca 0.49 0.75 -0.26 0.00 -1.72 0.00 0.00 55.73 54.99 1huk s ARG 81 Cb -0.26 -2.03 -0.01 0.00 -0.45 0.00 0.00 34.95 32.21 1huk s ARG 81 CO 0.31 -0.91 0.89 -0.80 -0.68 0.00 0.00 175.30 174.11 1huk s ASN 82 N -4.07 6.97 -0.37 0.23 0.01 -1.24 -4.59 114.94 111.88 1huk s ASN 82 Ca 0.57 1.20 -0.05 0.00 -0.71 0.00 0.00 52.86 53.87 1huk s ASN 82 Cb -0.12 -2.47 0.07 0.00 0.41 0.00 0.00 41.25 39.13 1huk s ASN 82 CO 0.54 -0.49 0.15 0.00 -1.51 0.00 0.00 177.10 175.78 1huk n PHE 84 N 4.75 1.12 -0.09 0.00 7.35 -0.13 -0.12 117.46 130.33 1huk n PHE 84 Ca -0.10 0.73 -0.01 0.00 -0.76 0.00 0.00 57.45 57.31 1huk n PHE 84 Cb 0.43 -2.24 0.19 0.00 0.35 0.00 0.00 39.48 38.21 1huk n PHE 84 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1huk n PRO 85 N 1.59 2.75 -4.00 -7.13 -0.04 -1.26 -4.95 135.00 121.95 1huk n PRO 85 Ca 0.15 -1.71 -0.25 0.00 -0.04 0.00 0.00 63.50 61.65 1huk n PRO 85 Cb 0.24 -1.85 -0.04 0.00 -0.04 0.00 0.00 33.50 31.82 1huk n PRO 85 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1huk s HIS 86 N -1.92 3.35 -0.25 0.54 3.76 0.82 -5.09 115.29 116.50 1huk s HIS 86 Ca 0.30 0.04 0.03 0.00 -0.15 0.00 0.00 55.06 55.28 1huk s HIS 86 Cb 0.24 -1.58 0.06 0.00 1.11 0.00 0.00 32.58 32.40 1huk s HIS 86 CO 0.08 0.51 -0.11 -1.58 -0.85 0.00 0.00 174.74 172.78 1huk s HIS 87 N -1.82 3.13 0.00 1.40 2.46 -1.26 -3.53 115.29 115.68 1huk s HIS 87 Ca 0.33 -2.21 0.00 0.00 0.47 0.00 0.00 55.06 53.65 1huk s HIS 87 Cb -0.10 -1.89 0.00 0.00 -0.13 0.00 0.00 32.58 30.46 1huk s HIS 87 CO 0.27 -0.86 0.00 0.41 -2.47 0.00 0.00 174.74 172.09 1huk n GLY 88 N 4.47 1.90 3.72 1.59 0.00 -1.26 -4.04 105.19 111.57 1huk n GLY 88 Ca -0.14 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 1huk n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1huk s TYR 89 N 0.00 3.50 -1.52 1.61 1.51 -0.58 -4.81 117.35 117.05 1huk s TYR 89 Ca 0.00 1.42 0.14 0.00 -1.01 0.00 0.00 57.07 57.62 1huk s TYR 89 Cb 0.00 -3.36 0.49 0.00 -0.11 0.00 0.00 41.96 38.98 1huk s TYR 89 CO 0.00 -0.99 1.37 0.44 -1.11 0.00 0.00 175.55 175.26 1huk n ILE 90 N 3.38 1.07 -4.01 2.71 -5.35 -1.26 0.15 119.36 116.05 1huk n ILE 90 Ca 0.07 -0.77 -0.08 0.00 -0.27 0.00 0.00 62.75 61.69 1huk n ILE 90 Cb 0.46 0.12 -0.10 0.00 -1.74 0.00 0.00 39.64 38.39 1huk n ILE 90 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1huk s HIS 91 N -1.60 0.35 -0.21 4.28 3.76 -1.26 -4.95 115.29 115.66 1huk s HIS 91 Ca 0.35 -0.75 -0.29 0.00 -0.15 0.00 0.00 55.06 54.22 1huk s HIS 91 Cb 0.21 -0.26 -0.02 0.00 1.11 0.00 0.00 32.58 33.62 1huk s HIS 91 CO 0.19 -0.32 1.49 -0.80 -0.85 0.00 0.00 174.74 174.46 1huk s ASN 92 N -2.26 6.57 -0.16 1.40 0.01 -1.03 -3.29 114.94 116.18 1huk s ASN 92 Ca -0.03 1.60 -0.04 0.00 -0.71 0.00 0.00 52.86 53.67 1huk s ASN 92 Cb -0.00 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.10 1huk s ASN 92 CO -0.06 -1.10 -0.03 -0.47 -1.51 0.00 0.00 177.10 173.93 1huk s TYR 93 N 4.61 3.05 0.00 2.20 5.04 0.25 -0.77 117.35 131.73 1huk s TYR 93 Ca 0.65 -0.25 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 1huk s TYR 93 Cb -0.23 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 40.11 1huk s TYR 93 CO 0.26 -0.01 0.00 0.41 -1.34 0.00 0.00 175.55 174.87 1huk n GLY 94 N 3.51 3.15 3.17 8.97 0.00 -0.73 -0.72 105.19 122.53 1huk n GLY 94 Ca -0.17 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 1huk n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1huk s ALA 95 N -1.00 -0.18 -0.17 4.61 0.00 -0.54 -0.78 121.76 123.69 1huk s ALA 95 Ca 0.00 -0.53 -0.23 0.00 0.00 0.00 0.00 51.96 51.20 1huk s ALA 95 Cb 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 1huk s ALA 95 CO 0.00 -0.41 0.71 -0.06 0.00 0.00 0.00 175.76 176.00 1huk s PHE 96 N -3.15 3.41 1.01 0.00 0.08 -0.60 -1.17 117.98 117.56 1huk s PHE 96 Ca -0.00 1.08 -0.14 0.00 0.12 0.00 0.00 56.93 57.98 1huk s PHE 96 Cb 0.02 -2.88 0.10 0.00 -0.57 0.00 0.00 43.02 39.69 1huk s PHE 96 CO -0.07 -0.17 0.51 -0.35 -0.10 0.00 0.00 175.22 175.03 1huk n PRO 97 N 4.99 -0.88 -3.59 0.24 -0.04 -1.26 -4.02 135.00 130.44 1huk n PRO 97 Ca 0.01 -0.22 -0.22 0.00 -0.04 0.00 0.00 63.50 63.03 1huk n PRO 97 Cb 0.49 -1.94 0.07 0.00 -0.04 0.00 0.00 33.50 32.08 1huk n PRO 97 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1huk n GLN 98 N -2.60 -6.73 -3.67 0.54 6.02 0.12 -4.40 117.38 106.66 1huk n GLN 98 Ca 0.06 0.78 -0.10 0.00 -0.01 0.00 0.00 57.00 57.72 1huk n GLN 98 Cb 0.55 -5.73 -0.05 0.00 1.02 0.00 0.00 30.24 26.04 1huk n GLN 98 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1huk s THR 99 N -3.38 0.08 -0.26 5.09 -4.23 -1.26 -4.32 115.64 107.36 1huk s THR 99 Ca 0.30 -0.65 -0.11 0.00 -1.18 0.00 0.00 61.69 60.05 1huk s THR 99 Cb -0.14 -1.17 0.10 0.00 1.34 0.00 0.00 72.50 72.64 1huk s THR 99 CO 0.76 -0.36 0.59 0.86 -0.54 0.00 0.00 174.62 175.92 1huk s TRP 100 N -3.68 -1.09 -0.77 3.99 -0.00 -0.27 -3.92 118.94 113.20 1huk s TRP 100 Ca 0.02 2.02 -0.26 0.00 -0.00 0.00 0.00 56.10 57.88 1huk s TRP 100 Cb 0.02 0.61 0.02 0.00 -0.00 0.00 0.00 33.47 34.12 1huk s TRP 100 CO -0.11 -0.57 1.47 -1.21 -0.00 0.00 0.00 176.95 176.54 1huk s GLU 101 N 2.40 3.09 -0.15 5.86 0.41 0.17 -4.56 118.70 125.93 1huk s GLU 101 Ca -0.06 -0.20 -0.33 0.00 -0.41 0.00 0.00 54.97 53.97 1huk s GLU 101 Cb -0.10 -4.46 -0.10 0.00 -1.78 0.00 0.00 34.13 27.68 1huk s GLU 101 CO -0.17 -2.36 2.00 -3.47 -0.49 0.00 0.00 175.26 170.77 1huk n ASP 102 N 10.31 3.23 -0.04 -0.19 -0.08 -1.26 -1.51 116.55 127.00 1huk n ASP 102 Ca 0.14 0.74 0.14 0.00 -1.51 0.00 0.00 54.79 54.29 1huk n ASP 102 Cb 0.50 -1.39 0.54 0.00 2.34 0.00 0.00 41.12 43.10 1huk n ASP 102 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1huk n PRO 103 N 7.35 0.27 0.00 -0.67 -0.04 -1.25 -0.10 135.00 140.55 1huk n PRO 103 Ca 0.27 -0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 1huk n PRO 103 Cb 0.32 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.30 1huk n PRO 103 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1huk n ASN 104 N -1.29 2.11 -3.91 3.54 3.02 -1.26 -4.33 115.26 113.13 1huk n ASN 104 Ca 0.10 -1.55 -0.15 0.00 -0.03 0.00 0.00 54.58 52.95 1huk n ASN 104 Cb 0.31 0.42 -0.14 0.00 -0.61 0.00 0.00 39.78 39.76 1huk n ASN 104 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1huk s VAL 105 N -2.43 0.23 0.01 2.41 0.11 -1.26 -5.09 120.40 114.38 1huk s VAL 105 Ca 0.20 -0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 58.84 1huk s VAL 105 Cb 0.18 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.78 1huk s VAL 105 CO 0.54 0.08 1.21 -0.55 -3.33 0.00 0.00 175.10 173.05 1huk s SER 106 N 0.06 7.06 -0.02 3.54 0.15 -1.26 -3.90 113.70 119.33 1huk s SER 106 Ca -0.00 1.93 -0.25 0.00 0.70 0.00 0.00 55.95 58.32 1huk s SER 106 Cb -0.03 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 1huk s SER 106 CO -0.00 -0.53 0.79 -1.00 1.20 0.00 0.00 173.24 173.70 1huk s HIS 107 N 1.64 3.64 0.22 3.44 3.76 0.25 -4.87 115.29 123.37 1huk s HIS 107 Ca 0.58 1.42 0.16 0.00 -0.15 0.00 0.00 55.06 57.06 1huk s HIS 107 Cb -0.27 -2.89 0.58 0.00 1.11 0.00 0.00 32.58 31.11 1huk s HIS 107 CO 0.26 0.11 1.70 -1.00 -0.85 0.00 0.00 174.74 174.96 1huk h PRO 108 N 6.48 0.00 0.00 8.40 0.13 -1.95 0.47 132.00 145.53 1huk h PRO 108 Ca -0.42 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 1huk h PRO 108 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1huk h PRO 108 CO 0.74 0.46 -0.47 0.93 -0.23 0.00 0.00 178.00 179.42 1huk h GLU 109 N 0.00 0.00 0.00 0.86 3.07 -1.96 -3.36 114.58 113.19 1huk h GLU 109 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1huk h GLU 109 Cb 0.94 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.85 1huk h GLU 109 CO 0.06 0.47 -1.04 0.25 -1.40 0.00 0.00 179.01 177.35 1huk n THR 110 N -3.51 0.00 -3.46 1.13 -2.24 -1.18 -4.88 114.28 100.14 1huk n THR 110 Ca -0.00 -0.02 -0.24 0.00 -2.27 0.00 0.00 64.05 61.52 1huk n THR 110 Cb 0.59 0.40 0.07 0.00 -2.10 0.00 0.00 70.33 69.29 1huk n THR 110 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1huk n LYS 111 N -1.56 -7.23 -3.92 -0.78 4.01 0.16 -5.01 118.16 103.84 1huk n LYS 111 Ca -0.00 0.85 -0.10 0.00 -0.51 0.00 0.00 58.31 58.54 1huk n LYS 111 Cb 0.05 -5.86 -0.10 0.00 -0.51 0.00 0.00 35.03 28.61 1huk n LYS 111 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1huk s ALA 112 N -3.29 -0.10 0.94 7.82 0.00 -1.18 -4.85 121.76 121.10 1huk s ALA 112 Ca 0.52 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 1huk s ALA 112 Cb -0.23 0.13 0.15 0.00 0.00 0.00 0.00 23.12 23.17 1huk s ALA 112 CO 0.65 -0.18 1.09 0.14 0.00 0.00 0.00 175.76 177.46 1huk s VAL 113 N -1.39 2.47 0.64 0.00 -7.23 -1.26 -0.58 120.40 113.04 1huk s VAL 113 Ca -0.15 0.15 -0.09 0.00 -1.81 0.00 0.00 61.98 60.08 1huk s VAL 113 Cb -0.09 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1huk s VAL 113 CO 0.00 -0.20 1.00 -0.83 -0.31 0.00 0.00 175.10 174.77 1huk s GLY 114 N -3.06 1.61 0.00 2.32 0.00 0.86 -0.92 107.32 108.13 1huk s GLY 114 Ca 0.65 -0.44 0.12 0.00 0.00 0.00 0.00 44.72 45.05 1huk s GLY 114 CO 0.59 -0.12 1.36 2.09 0.00 0.00 0.00 173.10 177.01 1huk n ASP 115 N -2.78 0.83 -0.81 1.64 5.75 -1.12 -3.93 116.55 116.13 1huk n ASP 115 Ca 0.06 -1.80 -0.11 0.00 -0.01 0.00 0.00 54.79 52.93 1huk n ASP 115 Cb 0.57 -0.08 -0.05 0.00 -1.03 0.00 0.00 41.12 40.53 1huk n ASP 115 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1huk n ASN 116 N -0.13 -4.44 -4.42 -1.12 4.05 -0.57 -4.99 115.26 103.63 1huk n ASN 116 Ca 0.10 0.26 -0.22 0.00 0.45 0.00 0.00 54.58 55.17 1huk n ASN 116 Cb 0.16 -2.87 -0.10 0.00 1.23 0.00 0.00 39.78 38.20 1huk n ASN 116 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1huk s ASP 117 N -2.79 3.22 0.88 1.20 1.11 -1.26 -4.78 116.67 114.24 1huk s ASP 117 Ca 0.00 -1.01 -0.14 0.00 0.18 0.00 0.00 52.55 51.58 1huk s ASP 117 Cb 0.00 -0.24 -0.01 0.00 1.07 0.00 0.00 42.92 43.74 1huk s ASP 117 CO 0.00 -0.02 0.29 -0.81 1.18 0.00 0.00 175.17 175.80 1huk n PRO 118 N -0.43 -0.06 -2.40 8.23 -0.04 -1.25 -0.65 135.00 138.39 1huk n PRO 118 Ca -0.07 0.02 -0.41 0.00 -0.04 0.00 0.00 63.50 63.00 1huk n PRO 118 Cb 0.60 -1.73 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 1huk n PRO 118 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1huk s ILE 119 N -2.19 3.65 0.27 0.52 2.07 -1.26 -4.66 121.20 119.61 1huk s ILE 119 Ca 0.57 1.38 -0.18 0.00 -1.41 0.00 0.00 60.65 61.01 1huk s ILE 119 Cb -0.26 -3.88 -0.09 0.00 0.13 0.00 0.00 42.46 38.36 1huk s ILE 119 CO 0.66 0.22 0.75 -1.81 -1.91 0.00 0.00 174.94 172.85 1huk s ASP 120 N 0.15 6.96 -0.08 4.50 1.01 -1.23 -1.56 116.67 126.43 1huk s ASP 120 Ca 0.53 1.40 0.01 0.00 0.71 0.00 0.00 52.55 55.20 1huk s ASP 120 Cb -0.32 -2.41 0.02 0.00 1.01 0.00 0.00 42.92 41.21 1huk s ASP 120 CO 0.36 -0.07 -0.11 -0.69 0.21 0.00 0.00 175.17 174.87 1huk s VAL 121 N -1.72 1.09 -0.40 -1.27 1.01 0.04 -1.20 120.40 117.94 1huk s VAL 121 Ca 0.48 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 1huk s VAL 121 Cb -0.14 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.23 1huk s VAL 121 CO 0.20 0.36 0.29 -0.76 0.00 0.00 0.00 175.10 175.18 1huk s LEU 122 N 0.98 5.05 -0.29 3.92 1.43 0.13 -1.78 118.68 128.13 1huk s LEU 122 Ca -0.09 -0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 52.00 1huk s LEU 122 Cb -0.15 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 1huk s LEU 122 CO -0.00 -0.44 0.21 -0.70 0.23 0.00 0.00 176.35 175.65 1huk s GLU 123 N 1.67 3.90 0.00 1.70 -6.30 0.05 -0.76 118.70 118.96 1huk s GLU 123 Ca 0.05 -0.33 0.23 0.00 -2.50 0.00 0.00 54.97 52.42 1huk s GLU 123 Cb -0.19 -3.68 0.11 0.00 0.00 0.00 0.00 34.13 30.38 1huk s GLU 123 CO 0.10 -0.22 1.18 0.44 0.02 0.00 0.00 175.26 176.78 1huk n ILE 124 N 5.07 0.00 -0.51 -3.70 -5.35 -0.21 -2.48 119.36 112.19 1huk n ILE 124 Ca -0.13 -0.33 -0.29 0.00 -0.27 0.00 0.00 62.75 61.73 1huk n ILE 124 Cb 0.52 1.27 0.23 0.00 -1.74 0.00 0.00 39.64 39.92 1huk n ILE 124 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1huk n GLY 125 N 1.39 -2.52 0.17 3.28 0.00 -1.26 -4.97 105.19 101.29 1huk n GLY 125 Ca 0.11 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 1huk n GLY 125 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1huk h GLU 126 N -2.64 0.62 -6.54 1.61 4.11 -1.99 -3.44 114.58 106.31 1huk h GLU 126 Ca -0.55 -0.79 -0.53 0.00 0.07 0.00 0.00 59.36 57.56 1huk h GLU 126 Cb 1.31 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.82 1huk h GLU 126 CO 0.41 1.36 0.49 0.99 0.07 0.00 0.00 179.01 182.32 1huk s THR 127 N -3.04 4.12 0.19 -1.06 2.01 -1.26 -5.00 115.64 111.59 1huk s THR 127 Ca -0.10 1.64 -0.30 0.00 0.31 0.00 0.00 61.69 63.24 1huk s THR 127 Cb 0.05 -4.05 -0.08 0.00 0.01 0.00 0.00 72.50 68.44 1huk s THR 127 CO 0.92 0.19 1.26 -0.63 -0.69 0.00 0.00 174.62 175.67 1huk s ILE 128 N 0.50 3.40 0.57 1.82 1.01 -1.26 -4.98 121.20 122.25 1huk s ILE 128 Ca 0.54 1.15 -0.04 0.00 0.00 0.00 0.00 60.65 62.30 1huk s ILE 128 Cb -0.28 -3.73 0.12 0.00 0.01 0.00 0.00 42.46 38.58 1huk s ILE 128 CO 0.31 0.17 0.78 0.00 0.00 0.00 0.00 174.94 176.20 1huk n ALA 129 N 2.64 -0.27 -2.56 9.38 0.00 -1.26 -5.01 120.51 123.44 1huk n ALA 129 Ca 0.06 -1.32 -0.16 0.00 0.00 0.00 0.00 53.44 52.02 1huk n ALA 129 Cb 0.44 0.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.90 1huk n ALA 129 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1huk s TYR 130 N -2.41 1.18 0.15 0.00 1.13 -1.26 -4.57 117.35 111.57 1huk s TYR 130 Ca 0.49 -0.57 -0.31 0.00 -1.41 0.00 0.00 57.07 55.26 1huk s TYR 130 Cb -0.02 -0.64 -0.11 0.00 -1.10 0.00 0.00 41.96 40.09 1huk s TYR 130 CO 0.33 0.05 1.73 0.99 -2.51 0.00 0.00 175.55 176.14 1huk s THR 131 N -2.03 2.45 0.00 -3.49 2.01 -1.26 -1.89 115.64 111.44 1huk s THR 131 Ca 0.04 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1huk s THR 131 Cb -0.05 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.35 1huk s THR 131 CO 0.01 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 1huk n GLY 132 N 4.04 0.91 3.72 4.40 0.00 0.25 -5.01 105.19 113.50 1huk n GLY 132 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1huk n GLY 132 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1huk s GLN 133 N -0.69 4.20 -0.34 1.61 0.74 -0.79 -4.78 119.66 119.61 1huk s GLN 133 Ca 0.00 2.41 -0.14 0.00 0.05 0.00 0.00 55.36 57.68 1huk s GLN 133 Cb 0.00 -3.17 -0.02 0.00 1.10 0.00 0.00 33.01 30.92 1huk s GLN 133 CO 0.00 -0.64 0.28 0.08 -0.55 0.00 0.00 175.29 174.45 1huk s VAL 134 N 1.26 5.25 0.18 1.34 1.01 -1.26 -0.30 120.40 127.88 1huk s VAL 134 Ca 0.71 -0.14 0.10 0.00 0.00 0.00 0.00 61.98 62.65 1huk s VAL 134 Cb -0.45 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1huk s VAL 134 CO 0.31 -0.03 -0.20 -1.59 0.00 0.00 0.00 175.10 173.59 1huk s LYS 135 N 1.81 1.37 -0.18 2.72 -2.85 -0.34 -4.93 119.74 117.34 1huk s LYS 135 Ca 0.08 -1.46 -0.14 0.00 -1.00 0.00 0.00 55.97 53.44 1huk s LYS 135 Cb -0.17 -1.50 -0.05 0.00 -2.06 0.00 0.00 37.83 34.05 1huk s LYS 135 CO 0.11 0.31 0.30 -0.65 0.10 0.00 0.00 175.35 175.52 1huk s GLN 136 N -2.81 4.22 0.16 1.78 1.11 -1.26 0.36 119.66 123.23 1huk s GLN 136 Ca 0.18 0.08 0.02 0.00 0.01 0.00 0.00 55.36 55.65 1huk s GLN 136 Cb -0.06 -3.46 -0.05 0.00 -1.01 0.00 0.00 33.01 28.43 1huk s GLN 136 CO 0.08 0.16 -0.02 0.14 0.01 0.00 0.00 175.29 175.66 1huk s VAL 137 N 0.71 0.74 0.01 1.09 -7.23 -0.74 -1.00 120.40 113.99 1huk s VAL 137 Ca 0.16 -1.98 0.08 0.00 -1.81 0.00 0.00 61.98 58.42 1huk s VAL 137 Cb -0.13 -2.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 1huk s VAL 137 CO 0.05 -0.55 -0.23 -1.59 -0.31 0.00 0.00 175.10 172.47 1huk s LYS 138 N -3.89 2.05 0.28 4.82 -2.85 -0.56 -0.98 119.74 118.62 1huk s LYS 138 Ca 0.22 -0.97 -0.29 0.00 -1.00 0.00 0.00 55.97 53.93 1huk s LYS 138 Cb 0.06 -2.09 -0.10 0.00 -2.06 0.00 0.00 37.83 33.64 1huk s LYS 138 CO 0.03 0.55 1.11 0.00 0.10 0.00 0.00 175.35 177.14 1huk s ALA 139 N -0.75 3.41 -0.02 0.59 0.00 -1.26 -2.19 121.76 121.54 1huk s ALA 139 Ca 0.12 0.92 0.01 0.00 0.00 0.00 0.00 51.96 53.00 1huk s ALA 139 Cb -0.10 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 1huk s ALA 139 CO 0.01 -0.19 -0.00 1.28 0.00 0.00 0.00 175.76 176.86 1huk n LEU 140 N 1.21 1.33 0.00 0.00 4.77 0.19 -4.84 117.00 119.66 1huk n LEU 140 Ca -0.01 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1huk n LEU 140 Cb 0.45 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1huk n LEU 140 CO 0.54 0.26 0.07 0.61 -1.33 0.00 0.00 177.39 177.54 1huk n GLY 141 N 3.12 0.66 3.63 -0.72 0.00 -1.05 -2.31 105.19 108.52 1huk n GLY 141 Ca -0.03 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 1huk n GLY 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1huk s ILE 142 N -2.17 -0.00 -0.00 -0.61 2.07 -0.23 -0.83 121.20 119.42 1huk s ILE 142 Ca 0.02 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.31 1huk s ILE 142 Cb -0.00 -0.99 -0.03 0.00 0.13 0.00 0.00 42.46 41.57 1huk s ILE 142 CO -0.00 0.00 -0.14 -0.04 -1.91 0.00 0.00 174.94 172.85 1huk s MET 143 N 0.91 2.34 -1.15 3.50 -1.94 0.62 -0.63 119.30 122.95 1huk s MET 143 Ca -0.04 -0.81 -0.08 0.00 -1.71 0.00 0.00 55.69 53.04 1huk s MET 143 Cb -0.05 -2.32 0.25 0.00 2.01 0.00 0.00 34.83 34.72 1huk s MET 143 CO -0.08 0.59 1.44 0.00 -0.01 0.00 0.00 175.02 176.95 1huk n ALA 144 N 1.88 4.70 -2.56 3.03 0.00 -1.26 -1.04 120.51 125.26 1huk n ALA 144 Ca -0.16 -4.58 -0.42 0.00 0.00 0.00 0.00 53.44 48.28 1huk n ALA 144 Cb 0.52 -2.62 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 1huk n ALA 144 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1huk s LEU 145 N -1.10 4.41 -0.79 0.00 2.96 -1.25 -0.26 118.68 122.64 1huk s LEU 145 Ca 0.35 1.73 -0.18 0.00 -0.22 0.00 0.00 54.13 55.81 1huk s LEU 145 Cb -0.00 -3.58 0.14 0.00 0.50 0.00 0.00 46.19 43.26 1huk s LEU 145 CO 0.01 -0.22 0.89 -0.76 -1.32 0.00 0.00 176.35 174.96 1huk s LEU 146 N 0.71 5.61 -0.36 -0.68 2.01 0.74 0.37 118.68 127.07 1huk s LEU 146 Ca 0.51 -2.00 -0.20 0.00 0.01 0.00 0.00 54.13 52.45 1huk s LEU 146 Cb -0.22 -2.32 0.00 0.00 0.01 0.00 0.00 46.19 43.66 1huk s LEU 146 CO 0.29 -0.96 0.59 -0.62 1.01 0.00 0.00 176.35 176.66 1huk s ASP 147 N 3.23 6.38 -1.45 2.29 -1.08 -0.21 -3.16 116.67 122.66 1huk s ASP 147 Ca 0.22 0.03 -0.05 0.00 -0.52 0.00 0.00 52.55 52.22 1huk s ASP 147 Cb -0.13 -2.30 0.01 0.00 -1.46 0.00 0.00 42.92 39.03 1huk s ASP 147 CO -0.04 -0.58 0.24 -0.62 0.52 0.00 0.00 175.17 174.69 1huk n GLU 148 N 5.96 -1.57 -0.95 4.34 1.02 -1.26 -2.32 120.64 125.87 1huk n GLU 148 Ca -0.03 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1huk n GLU 148 Cb 0.49 -3.76 0.00 0.00 -0.02 0.00 0.00 31.44 28.15 1huk n GLU 148 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1huk n GLY 149 N -2.32 0.55 3.59 0.62 0.00 -1.25 -5.00 105.19 101.38 1huk n GLY 149 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1huk n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1huk s GLU 150 N -0.37 2.50 0.07 1.61 2.02 -0.98 -4.68 118.70 118.87 1huk s GLU 150 Ca 0.00 -0.76 -0.32 0.00 0.02 0.00 0.00 54.97 53.92 1huk s GLU 150 Cb 0.00 -2.48 -0.11 0.00 0.10 0.00 0.00 34.13 31.65 1huk s GLU 150 CO 0.00 0.59 1.86 2.41 0.02 0.00 0.00 175.26 180.14 1huk n THR 151 N 1.45 0.48 -3.04 3.63 -1.04 -0.10 -1.05 114.28 114.62 1huk n THR 151 Ca -0.15 -0.09 -0.17 0.00 -2.04 0.00 0.00 64.05 61.61 1huk n THR 151 Cb 0.52 -2.09 -0.01 0.00 -1.82 0.00 0.00 70.33 66.94 1huk n THR 151 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1huk n ASP 152 N 6.15 -0.54 -4.62 8.00 -0.08 0.16 -2.77 116.55 122.84 1huk n ASP 152 Ca 0.19 -3.09 -0.42 0.00 -1.51 0.00 0.00 54.79 49.97 1huk n ASP 152 Cb 0.36 0.23 0.00 0.00 2.34 0.00 0.00 41.12 44.05 1huk n ASP 152 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 1huk n TRP 153 N 0.86 1.43 -4.06 -0.67 7.02 -1.26 -3.94 117.44 116.82 1huk n TRP 153 Ca 0.18 0.59 -0.32 0.00 -1.02 0.00 0.00 57.50 56.93 1huk n TRP 153 Cb 0.62 -2.27 -0.15 0.00 -2.42 0.00 0.00 31.31 27.09 1huk n TRP 153 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1huk s LYS 154 N -1.89 2.21 -0.01 -0.99 -0.14 -0.20 -3.48 119.74 115.24 1huk s LYS 154 Ca 0.61 -1.32 -0.30 0.00 -1.36 0.00 0.00 55.97 53.59 1huk s LYS 154 Cb -0.59 -2.87 -0.03 0.00 -1.68 0.00 0.00 37.83 32.66 1huk s LYS 154 CO 0.59 -0.57 1.02 0.08 -0.76 0.00 0.00 175.35 175.71 1huk s VAL 155 N 1.12 4.73 -0.30 3.17 1.01 -0.34 -0.28 120.40 129.51 1huk s VAL 155 Ca -0.09 1.96 -0.17 0.00 0.00 0.00 0.00 61.98 63.69 1huk s VAL 155 Cb -0.20 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 1huk s VAL 155 CO -0.05 0.13 0.45 -0.63 0.00 0.00 0.00 175.10 175.00 1huk s ILE 156 N 1.18 5.10 0.14 2.22 -1.09 -0.01 0.21 121.20 128.95 1huk s ILE 156 Ca 0.53 0.54 0.01 0.00 -2.23 0.00 0.00 60.65 59.50 1huk s ILE 156 Cb -0.22 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 1huk s ILE 156 CO 0.27 0.00 -0.02 0.00 -1.23 0.00 0.00 174.94 173.96 1huk s ALA 157 N 2.23 1.15 -0.05 9.38 0.00 0.06 0.57 121.76 135.09 1huk s ALA 157 Ca 0.17 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.67 1huk s ALA 157 Cb -0.16 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.41 1huk s ALA 157 CO 0.11 -0.30 -0.07 -1.50 0.00 0.00 0.00 175.76 174.00 1huk s ILE 158 N -3.69 0.70 0.21 0.00 1.10 -0.93 -1.04 121.20 117.55 1huk s ILE 158 Ca 0.19 -0.22 -0.32 0.00 -0.51 0.00 0.00 60.65 59.79 1huk s ILE 158 Cb 0.06 -0.69 -0.14 0.00 0.15 0.00 0.00 42.46 41.84 1huk s ILE 158 CO 0.00 0.26 1.38 -0.67 -2.11 0.00 0.00 174.94 173.80 1huk n ASP 159 N 3.97 2.49 0.28 4.50 -0.08 -1.26 -1.49 116.55 124.95 1huk n ASP 159 Ca -0.25 1.13 0.15 0.00 -1.51 0.00 0.00 54.79 54.31 1huk n ASP 159 Cb 0.51 -1.38 0.82 0.00 2.34 0.00 0.00 41.12 43.41 1huk n ASP 159 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1huk h ILE 160 N 3.06 0.46 -0.01 5.18 5.03 -1.40 -1.15 117.51 128.68 1huk h ILE 160 Ca -0.45 -0.37 0.00 0.00 -0.12 0.00 0.00 64.86 63.92 1huk h ILE 160 Cb 1.29 1.25 0.00 0.00 -3.03 0.00 0.00 36.82 36.33 1huk h ILE 160 CO 0.76 0.07 -0.27 0.59 -0.68 0.00 0.00 178.15 178.62 1huk n ASN 161 N -3.58 1.23 -4.77 1.72 3.02 -1.26 -4.82 115.26 106.80 1huk n ASN 161 Ca -0.02 -1.04 -0.40 0.00 -0.03 0.00 0.00 54.58 53.09 1huk n ASN 161 Cb 0.19 0.18 0.01 0.00 -0.61 0.00 0.00 39.78 39.55 1huk n ASN 161 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1huk s ASP 162 N -2.46 6.07 0.43 6.41 -1.08 -0.44 -4.91 116.67 120.69 1huk s ASP 162 Ca 0.24 2.90 0.14 0.00 -0.52 0.00 0.00 52.55 55.31 1huk s ASP 162 Cb 0.19 -2.65 1.02 0.00 -1.46 0.00 0.00 42.92 40.02 1huk s ASP 162 CO 0.51 -1.04 1.97 -0.65 0.52 0.00 0.00 175.17 176.49 1huk h PRO 163 N 2.55 0.41 0.00 4.34 0.11 -1.91 -0.42 132.00 137.09 1huk h PRO 163 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1huk h PRO 163 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1huk h PRO 163 CO 0.62 0.27 -0.07 1.28 -0.21 0.00 0.00 178.00 179.89 1huk n LEU 164 N -4.47 0.20 -0.26 2.35 4.77 -1.26 -4.41 117.00 113.91 1huk n LEU 164 Ca 0.10 0.45 0.06 0.00 -0.03 0.00 0.00 56.01 56.59 1huk n LEU 164 Cb 0.38 -0.44 0.19 0.00 -2.33 0.00 0.00 43.42 41.23 1huk n LEU 164 CO 0.34 -0.02 1.01 0.00 -1.33 0.00 0.00 177.39 177.40 1huk h ALA 165 N 2.91 1.08 0.00 -1.18 0.00 -1.34 0.68 119.26 121.41 1huk h ALA 165 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1huk h ALA 165 Cb 0.54 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1huk h ALA 165 CO 0.00 -0.22 -0.00 -1.35 0.00 0.00 0.00 179.25 177.67 1huk h PRO 166 N 0.43 0.00 0.00 0.00 0.11 -1.79 -1.62 132.00 129.13 1huk h PRO 166 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1huk h PRO 166 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1huk h PRO 166 CO -0.42 0.00 -0.94 1.63 -0.21 0.00 0.00 178.00 178.07 1huk n LYS 167 N -3.74 0.27 -3.60 1.05 5.02 0.19 -4.81 118.16 112.55 1huk n LYS 167 Ca -0.03 0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 55.87 1huk n LYS 167 Cb 0.09 -1.60 -0.10 0.00 -0.02 0.00 0.00 35.03 33.39 1huk n LYS 167 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1huk s LEU 168 N -3.92 5.14 0.00 -0.35 2.01 -0.61 -4.88 118.68 116.08 1huk s LEU 168 Ca 0.04 -1.47 0.00 0.00 0.01 0.00 0.00 54.13 52.71 1huk s LEU 168 Cb 0.14 -2.00 0.00 0.00 0.01 0.00 0.00 46.19 44.35 1huk s LEU 168 CO 0.78 -0.53 0.00 0.59 1.01 0.00 0.00 176.35 178.20 1huk n ASN 169 N 4.93 1.06 -3.34 2.29 3.02 -1.26 -4.90 115.26 117.06 1huk n ASN 169 Ca -0.10 -0.21 -0.08 0.00 -0.03 0.00 0.00 54.58 54.16 1huk n ASN 169 Cb 0.43 0.63 0.00 0.00 -0.61 0.00 0.00 39.78 40.24 1huk n ASN 169 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1huk s ASP 170 N -0.84 -0.11 0.37 6.41 -1.08 -1.26 -4.88 116.67 115.28 1huk s ASP 170 Ca 0.00 -0.91 0.27 0.00 -0.52 0.00 0.00 52.55 51.39 1huk s ASP 170 Cb 0.00 0.80 1.14 0.00 -1.46 0.00 0.00 42.92 43.40 1huk s ASP 170 CO 0.00 -1.54 1.82 -0.29 0.52 0.00 0.00 175.17 175.68 1huk h ILE 171 N 2.00 0.00 0.00 4.11 6.09 -1.80 -0.75 117.51 127.16 1huk h ILE 171 Ca -0.26 -0.32 -0.10 0.00 -1.37 0.00 0.00 64.86 62.81 1huk h ILE 171 Cb 1.25 1.15 -0.01 0.00 0.47 0.00 0.00 36.82 39.68 1huk h ILE 171 CO 0.33 0.00 -0.45 -0.33 -3.07 0.00 0.00 178.15 174.63 1huk h GLU 172 N 0.00 0.00 0.00 2.19 3.07 -1.97 -2.82 114.58 115.06 1huk h GLU 172 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 1huk h GLU 172 Cb 0.41 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 1huk h GLU 172 CO 0.00 0.45 -0.54 -0.44 -1.40 0.00 0.00 179.01 177.08 1huk h ASP 173 N 0.00 0.00 -0.38 1.42 3.32 -1.49 -2.12 116.42 117.17 1huk h ASP 173 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1huk h ASP 173 Cb 1.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1huk h ASP 173 CO 0.06 0.54 -0.07 0.58 -1.72 0.00 0.00 179.24 178.63 1huk h VAL 174 N 0.00 1.27 -0.68 -1.35 2.07 -1.55 -0.64 116.25 115.37 1huk h VAL 174 Ca -0.01 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.32 1huk h VAL 174 Cb 0.99 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1huk h VAL 174 CO 0.07 0.38 0.19 -0.08 0.02 0.00 0.00 177.57 178.15 1huk h GLU 175 N 0.52 1.07 0.27 1.57 4.57 -1.56 1.06 114.58 122.09 1huk h GLU 175 Ca 0.10 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1huk h GLU 175 Cb 0.58 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 1huk h GLU 175 CO 0.03 0.94 -0.41 -0.22 -1.18 0.00 0.00 179.01 178.17 1huk h LYS 176 N 1.01 -0.72 0.00 1.92 3.64 -1.21 -2.75 116.57 118.46 1huk h LYS 176 Ca 0.22 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1huk h LYS 176 Cb 0.33 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1huk h LYS 176 CO -0.00 -0.48 -1.34 0.66 -2.27 0.00 0.00 179.45 176.02 1huk n TYR 177 N -5.48 0.57 -2.93 1.91 4.01 -0.26 -4.39 117.16 110.59 1huk n TYR 177 Ca -0.09 0.17 -0.23 0.00 -0.16 0.00 0.00 57.90 57.58 1huk n TYR 177 Cb 0.39 -0.75 -0.03 0.00 -0.31 0.00 0.00 39.34 38.64 1huk n TYR 177 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1huk n PHE 178 N -2.46 2.77 -1.64 -0.72 3.01 0.36 -5.06 117.46 113.72 1huk n PHE 178 Ca -0.01 -3.76 -0.50 0.00 1.01 0.00 0.00 57.45 54.19 1huk n PHE 178 Cb 0.54 -0.41 -0.05 0.00 -0.01 0.00 0.00 39.48 39.55 1huk n PHE 178 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1huk n PRO 179 N -0.13 1.64 0.00 -1.08 -0.02 -1.04 -1.22 135.00 133.15 1huk n PRO 179 Ca 0.29 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1huk n PRO 179 Cb 0.52 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1huk n PRO 179 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1huk n GLY 180 N 3.17 2.22 0.35 -1.23 0.00 -1.26 -4.88 105.19 103.56 1huk n GLY 180 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 1huk n GLY 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1huk h LEU 181 N 0.00 1.12 -0.41 0.99 5.85 -1.51 -1.45 115.31 119.90 1huk h LEU 181 Ca 0.00 -0.14 -0.17 0.00 0.84 0.00 0.00 57.88 58.42 1huk h LEU 181 Cb 0.00 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 40.74 1huk h LEU 181 CO 0.00 0.94 -0.46 -0.07 -0.34 0.00 0.00 178.44 178.52 1huk h LEU 182 N 1.22 0.91 -0.56 2.25 3.38 -1.90 0.17 115.31 120.78 1huk h LEU 182 Ca 0.29 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1huk h LEU 182 Cb 0.13 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1huk h LEU 182 CO -0.04 1.22 0.36 -0.09 0.09 0.00 0.00 178.44 179.98 1huk h ARG 183 N 0.67 0.69 -0.37 1.13 2.43 -1.94 0.06 114.38 117.05 1huk h ARG 183 Ca 0.04 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1huk h ARG 183 Cb 1.04 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1huk h ARG 183 CO 0.10 0.46 -0.09 0.00 -1.51 0.00 0.00 179.97 178.93 1huk h ALA 184 N 1.22 1.15 -0.10 2.80 0.00 -0.71 -2.22 119.26 121.41 1huk h ALA 184 Ca 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1huk h ALA 184 Cb -0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1huk h ALA 184 CO -0.07 0.54 -0.05 1.15 0.00 0.00 0.00 179.25 180.82 1huk h THR 185 N 0.58 1.32 -0.66 0.00 2.02 -0.26 0.12 112.91 116.03 1huk h THR 185 Ca 0.11 -1.07 0.10 0.00 0.77 0.00 0.00 66.41 66.32 1huk h THR 185 Cb 0.51 1.82 -0.07 0.00 -1.74 0.00 0.00 68.15 68.66 1huk h THR 185 CO 0.03 0.30 0.28 -1.13 0.37 0.00 0.00 175.52 175.37 1huk h ASN 186 N -0.15 0.32 -0.08 4.18 -0.73 -0.92 -2.12 115.58 116.08 1huk h ASN 186 Ca 0.02 0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.26 1huk h ASN 186 Cb 0.50 0.04 -0.00 0.00 0.27 0.00 0.00 38.32 39.12 1huk h ASN 186 CO 0.01 0.18 0.00 -0.08 -0.37 0.00 0.00 177.43 177.17 1huk h GLU 187 N 0.48 0.14 -0.42 6.67 4.81 -1.30 -2.78 114.58 122.17 1huk h GLU 187 Ca 0.34 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.59 1huk h GLU 187 Cb 0.41 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 1huk h GLU 187 CO -0.31 0.39 0.09 2.35 -0.73 0.00 0.00 179.01 180.80 1huk h TRP 188 N -0.13 0.14 0.00 0.92 7.01 -0.40 -1.96 115.95 121.53 1huk h TRP 188 Ca 0.02 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.05 1huk h TRP 188 Cb 0.33 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 1huk h TRP 188 CO 0.03 0.01 0.00 0.74 -2.79 0.00 0.00 178.44 176.43 1huk h PHE 189 N 0.22 0.00 -0.37 2.65 0.04 -1.46 -0.93 116.94 117.09 1huk h PHE 189 Ca 0.20 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.91 1huk h PHE 189 Cb 0.25 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1huk h PHE 189 CO -0.20 0.00 -0.02 0.00 -0.60 0.00 0.00 178.31 177.49 1huk h ARG 190 N 0.00 0.66 0.00 1.51 3.08 -1.16 -3.40 114.38 115.07 1huk h ARG 190 Ca 0.00 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1huk h ARG 190 Cb 0.84 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1huk h ARG 190 CO 0.00 0.78 -1.14 0.44 -1.07 0.00 0.00 179.97 178.98 1huk n ILE 191 N -4.46 0.00 0.23 2.04 -5.35 -0.78 -0.59 119.36 110.45 1huk n ILE 191 Ca -0.01 -0.23 0.03 0.00 -0.27 0.00 0.00 62.75 62.26 1huk n ILE 191 Cb 0.29 0.64 0.13 0.00 -1.74 0.00 0.00 39.64 38.97 1huk n ILE 191 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1huk n TYR 192 N -1.65 0.00 0.50 4.28 4.11 -0.37 -0.69 117.16 123.35 1huk n TYR 192 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 57.96 1huk n TYR 192 Cb 0.31 -0.42 0.02 0.00 -0.00 0.00 0.00 39.34 39.25 1huk n TYR 192 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1huk n LYS 193 N -1.42 1.37 -0.14 -3.48 5.02 -1.26 -4.54 118.16 113.70 1huk n LYS 193 Ca 0.02 -0.91 -0.03 0.00 -2.02 0.00 0.00 58.31 55.37 1huk n LYS 193 Cb 0.06 -1.17 0.05 0.00 -0.02 0.00 0.00 35.03 33.94 1huk n LYS 193 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1huk h ILE 194 N 1.76 0.65 0.00 -0.18 1.08 -1.02 -0.46 117.51 119.35 1huk h ILE 194 Ca 0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1huk h ILE 194 Cb 0.44 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 34.71 1huk h ILE 194 CO 0.00 0.02 0.00 -2.65 -0.69 0.00 0.00 178.15 174.83 1huk n PRO 195 N -5.21 0.10 -0.17 2.37 -0.02 -1.26 0.07 135.00 130.88 1huk n PRO 195 Ca 0.04 0.60 0.11 0.00 -2.02 0.00 0.00 63.50 62.23 1huk n PRO 195 Cb 0.24 -1.83 0.27 0.00 -0.02 0.00 0.00 33.50 32.17 1huk n PRO 195 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1huk n ASP 196 N -2.04 2.74 -0.84 2.55 8.00 -0.21 -4.92 116.55 121.83 1huk n ASP 196 Ca -0.01 -1.90 -0.10 0.00 0.71 0.00 0.00 54.79 53.49 1huk n ASP 196 Cb 0.02 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 1huk n ASP 196 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1huk n GLY 197 N 1.35 0.75 3.93 0.44 0.00 0.11 -5.03 105.19 106.74 1huk n GLY 197 Ca 0.18 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 1huk n GLY 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1huk s LYS 198 N -3.34 3.20 0.89 1.61 1.02 -0.99 -5.04 119.74 117.07 1huk s LYS 198 Ca 0.00 -0.92 -0.12 0.00 0.02 0.00 0.00 55.97 54.95 1huk s LYS 198 Cb 0.00 -2.76 0.12 0.00 -0.52 0.00 0.00 37.83 34.67 1huk s LYS 198 CO 0.00 0.33 1.10 -2.14 -0.92 0.00 0.00 175.35 173.72 1huk s PRO 199 N -3.99 1.33 0.17 -1.68 0.02 -1.26 -3.90 135.00 125.70 1huk s PRO 199 Ca 0.36 0.61 -0.30 0.00 0.02 0.00 0.00 61.00 61.69 1huk s PRO 199 Cb -0.09 -1.83 -0.09 0.00 0.02 0.00 0.00 34.50 32.52 1huk s PRO 199 CO 0.28 -2.14 1.35 -2.00 -0.33 0.00 0.00 177.00 174.16 1huk s GLU 200 N -5.07 4.36 0.94 5.54 2.12 -1.26 -4.51 118.70 120.82 1huk s GLU 200 Ca 0.63 2.08 -0.14 0.00 0.36 0.00 0.00 54.97 57.90 1huk s GLU 200 Cb -0.16 -3.21 0.16 0.00 0.26 0.00 0.00 34.13 31.18 1huk s GLU 200 CO 0.56 -0.33 1.17 -0.80 -0.54 0.00 0.00 175.26 175.31 1huk s ASN 201 N 0.62 3.22 0.19 -1.70 0.01 0.24 -5.01 114.94 112.52 1huk s ASN 201 Ca 0.60 0.80 0.05 0.00 -0.71 0.00 0.00 52.86 53.59 1huk s ASN 201 Cb -0.37 -1.24 -0.05 0.00 0.41 0.00 0.00 41.25 40.00 1huk s ASN 201 CO 0.36 -2.71 -0.07 -1.10 -1.51 0.00 0.00 177.10 172.06 1huk s GLN 202 N -5.42 1.23 0.14 -0.60 -1.52 -1.19 -4.71 119.66 107.60 1huk s GLN 202 Ca 0.66 -1.57 0.11 0.00 -1.95 0.00 0.00 55.36 52.61 1huk s GLN 202 Cb -0.12 -0.75 -0.04 0.00 -0.22 0.00 0.00 33.01 31.88 1huk s GLN 202 CO 0.53 0.04 -0.25 -0.06 -0.25 0.00 0.00 175.29 175.30 1huk s PHE 203 N -3.27 2.23 0.73 0.91 0.40 -1.26 -0.18 117.98 117.54 1huk s PHE 203 Ca 0.22 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 56.06 1huk s PHE 203 Cb 0.03 -1.18 0.03 0.00 0.51 0.00 0.00 43.02 42.41 1huk s PHE 203 CO 0.05 0.36 1.11 0.00 0.70 0.00 0.00 175.22 177.44 1huk s ALA 204 N -1.25 2.76 -1.88 5.36 0.00 0.64 -4.00 121.76 123.39 1huk s ALA 204 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1huk s ALA 204 Cb -0.09 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1huk s ALA 204 CO 0.07 -1.30 0.00 1.19 0.00 0.00 0.00 175.76 175.72 1huk n PHE 205 N -3.11 -0.71 -2.34 0.00 3.72 -1.26 -1.47 117.46 112.28 1huk n PHE 205 Ca 0.07 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.31 1huk n PHE 205 Cb 0.57 -3.76 -0.01 0.00 -0.94 0.00 0.00 39.48 35.34 1huk n PHE 205 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1huk n SER 206 N -1.79 -4.84 0.00 4.37 7.64 -1.26 -1.32 113.62 116.42 1huk n SER 206 Ca -0.23 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1huk n SER 206 Cb 0.68 -4.09 0.00 0.00 -1.01 0.00 0.00 64.21 59.79 1huk n SER 206 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1huk n GLY 207 N -0.85 0.85 3.66 0.23 0.00 -0.54 -5.01 105.19 103.53 1huk n GLY 207 Ca -0.19 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.32 1huk n GLY 207 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1huk n GLU 208 N -2.08 1.73 -2.41 1.61 2.13 -0.44 -4.91 120.64 116.27 1huk n GLU 208 Ca 0.00 0.63 -0.43 0.00 0.66 0.00 0.00 57.16 58.02 1huk n GLU 208 Cb 0.00 -2.38 -0.02 0.00 0.27 0.00 0.00 31.44 29.31 1huk n GLU 208 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1huk s ALA 209 N 2.24 3.10 0.72 4.31 0.00 -1.26 -4.55 121.76 126.31 1huk s ALA 209 Ca 0.88 -0.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 1huk s ALA 209 Cb -0.82 -3.92 0.02 0.00 0.00 0.00 0.00 23.12 18.40 1huk s ALA 209 CO 0.49 -2.31 1.07 0.15 0.00 0.00 0.00 175.76 175.16 1huk s LYS 210 N 4.77 2.74 0.41 0.00 -0.14 0.19 -4.83 119.74 122.89 1huk s LYS 210 Ca 0.58 0.96 -0.07 0.00 -1.36 0.00 0.00 55.97 56.08 1huk s LYS 210 Cb -0.13 -1.97 0.09 0.00 -1.68 0.00 0.00 37.83 34.15 1huk s LYS 210 CO 0.31 -1.24 0.56 0.27 -0.76 0.00 0.00 175.35 174.50 1huk n ASN 211 N -3.22 0.09 0.04 2.83 0.23 -1.26 -1.07 115.26 112.89 1huk n ASN 211 Ca 0.08 -1.23 -0.13 0.00 -0.53 0.00 0.00 54.58 52.77 1huk n ASN 211 Cb 0.54 -0.42 -0.08 0.00 -2.08 0.00 0.00 39.78 37.73 1huk n ASN 211 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1huk h LYS 212 N 0.00 -0.04 -0.94 -3.83 3.64 -1.83 -0.64 116.57 112.93 1huk h LYS 212 Ca -0.18 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.38 1huk h LYS 212 Cb 0.51 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.24 1huk h LYS 212 CO 0.13 0.13 0.53 -0.22 -2.27 0.00 0.00 179.45 177.75 1huk h LYS 213 N -0.21 0.66 -0.28 1.90 3.64 -1.94 0.24 116.57 120.58 1huk h LYS 213 Ca -0.00 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 1huk h LYS 213 Cb 0.19 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1huk h LYS 213 CO 0.01 0.44 -0.28 -0.92 -2.27 0.00 0.00 179.45 176.43 1huk h TYR 214 N 0.68 0.65 -0.12 1.91 5.03 -1.84 -1.90 116.97 121.38 1huk h TYR 214 Ca 0.54 -0.15 -0.02 0.00 2.58 0.00 0.00 58.73 61.68 1huk h TYR 214 Cb 0.83 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.95 1huk h TYR 214 CO -0.05 0.79 0.01 0.00 -1.32 0.00 0.00 178.16 177.59 1huk h ALA 215 N 1.21 0.16 -0.95 1.82 0.00 0.49 -2.18 119.26 119.81 1huk h ALA 215 Ca 0.07 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1huk h ALA 215 Cb 0.73 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1huk h ALA 215 CO 0.06 -0.17 0.59 -0.07 0.00 0.00 0.00 179.25 179.67 1huk h LEU 216 N -0.05 0.92 -0.50 0.00 3.38 -0.50 -0.89 115.31 117.68 1huk h LEU 216 Ca 0.03 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1huk h LEU 216 Cb 0.33 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1huk h LEU 216 CO 0.00 0.56 0.19 -0.78 0.09 0.00 0.00 178.44 178.51 1huk h ASP 217 N 1.04 0.69 0.26 -0.43 3.58 -1.17 -0.07 116.42 120.31 1huk h ASP 217 Ca 0.43 -0.17 -0.20 0.00 0.42 0.00 0.00 57.03 57.50 1huk h ASP 217 Cb 0.26 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 1huk h ASP 217 CO -0.20 0.68 -0.82 0.40 -2.88 0.00 0.00 179.24 176.41 1huk h ILE 218 N 0.66 1.38 -0.67 2.25 1.08 -1.11 -2.77 117.51 118.34 1huk h ILE 218 Ca 0.16 -2.26 -0.05 0.00 -0.39 0.00 0.00 64.86 62.33 1huk h ILE 218 Cb 0.21 2.23 -0.03 0.00 -3.07 0.00 0.00 36.82 36.15 1huk h ILE 218 CO -0.01 0.68 0.22 0.40 -0.69 0.00 0.00 178.15 178.75 1huk h ILE 219 N 0.28 1.24 -0.51 -0.67 2.04 -0.89 -2.13 117.51 116.88 1huk h ILE 219 Ca -0.05 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.00 1huk h ILE 219 Cb 1.43 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1huk h ILE 219 CO 0.14 0.32 0.32 0.50 0.00 0.00 0.00 178.15 179.43 1huk h LYS 220 N 0.98 0.62 -0.40 2.37 3.64 -0.88 0.82 116.57 123.71 1huk h LYS 220 Ca 0.22 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1huk h LYS 220 Cb 0.26 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 1huk h LYS 220 CO -0.01 0.41 0.01 1.49 -2.27 0.00 0.00 179.45 179.08 1huk h GLU 221 N 0.64 0.11 -0.06 1.90 4.81 -1.19 0.68 114.58 121.47 1huk h GLU 221 Ca 0.20 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 1huk h GLU 221 Cb -0.02 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1huk h GLU 221 CO -0.07 0.08 -0.49 1.79 -0.73 0.00 0.00 179.01 179.59 1huk h THR 222 N 0.12 1.35 -0.62 0.32 1.35 -0.98 -0.79 112.91 113.65 1huk h THR 222 Ca 0.20 -1.70 -0.09 0.00 -0.55 0.00 0.00 66.41 64.27 1huk h THR 222 Cb 0.28 1.84 -0.02 0.00 -1.73 0.00 0.00 68.15 68.51 1huk h THR 222 CO -0.32 0.50 0.04 -0.74 -0.25 0.00 0.00 175.52 174.74 1huk h HIS 223 N 0.13 1.17 -0.34 4.73 -0.00 0.06 -0.55 115.15 120.34 1huk h HIS 223 Ca 0.00 -0.19 -0.15 0.00 -0.00 0.00 0.00 60.37 60.03 1huk h HIS 223 Cb 0.91 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 28.00 1huk h HIS 223 CO 0.01 1.01 -0.39 -0.44 -0.00 0.00 0.00 177.93 178.12 1huk h ASP 224 N 0.99 0.88 -0.92 3.26 3.32 -0.17 -1.78 116.42 122.01 1huk h ASP 224 Ca 0.18 -0.40 0.06 0.00 0.02 0.00 0.00 57.03 56.89 1huk h ASP 224 Cb 0.52 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 1huk h ASP 224 CO 0.03 1.16 0.60 0.28 -1.72 0.00 0.00 179.24 179.59 1huk h SER 225 N 0.68 0.94 -0.35 6.45 0.02 -1.12 -2.58 113.55 117.58 1huk h SER 225 Ca 0.06 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 1huk h SER 225 Cb 0.96 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1huk h SER 225 CO 0.09 0.61 -0.30 -0.25 -1.14 0.00 0.00 176.83 175.84 1huk h TRP 226 N 1.07 0.96 -0.90 3.45 7.01 -1.02 -1.53 115.95 124.99 1huk h TRP 226 Ca 0.39 -0.28 0.06 0.00 2.11 0.00 0.00 58.89 61.17 1huk h TRP 226 Cb 0.16 -0.21 -0.06 0.00 -2.10 0.00 0.00 29.16 26.95 1huk h TRP 226 CO -0.00 1.06 0.57 0.87 -2.79 0.00 0.00 178.44 178.14 1huk h LYS 227 N 0.60 1.01 -0.31 2.65 1.57 -0.98 0.35 116.57 121.47 1huk h LYS 227 Ca 0.06 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1huk h LYS 227 Cb 0.87 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1huk h LYS 227 CO 0.08 0.67 0.07 0.37 -0.57 0.00 0.00 179.45 180.06 1huk h GLN 228 N 1.05 0.49 -0.67 3.15 4.15 -1.35 -1.60 115.11 120.33 1huk h GLN 228 Ca 0.39 -0.12 0.02 0.00 0.77 0.00 0.00 58.65 59.70 1huk h GLN 228 Cb 0.14 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 1huk h GLN 228 CO -0.16 0.58 0.43 1.25 -1.93 0.00 0.00 178.83 178.99 1huk h LEU 229 N 0.33 0.72 -0.40 -2.39 5.85 -0.29 -0.12 115.31 119.02 1huk h LEU 229 Ca 0.09 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1huk h LEU 229 Cb 0.31 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1huk h LEU 229 CO 0.00 0.51 -0.11 -0.29 -0.34 0.00 0.00 178.44 178.22 1huk h ILE 230 N 0.86 0.20 0.00 4.05 6.09 -0.28 -2.04 117.51 126.38 1huk h ILE 230 Ca 0.26 -1.12 0.00 0.00 -1.37 0.00 0.00 64.86 62.63 1huk h ILE 230 Cb -0.03 1.95 0.00 0.00 0.47 0.00 0.00 36.82 39.21 1huk h ILE 230 CO -0.08 0.10 0.00 0.00 -3.07 0.00 0.00 178.15 175.10 1huk n ALA 231 N -2.13 2.57 -1.99 0.18 0.00 -0.61 -4.56 120.51 113.97 1huk n ALA 231 Ca 0.03 -0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.16 1huk n ALA 231 Cb 0.51 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 1huk n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1huk n GLY 232 N 0.94 0.31 0.96 0.00 0.00 -0.77 -4.79 105.19 101.85 1huk n GLY 232 Ca 0.20 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.97 1huk n GLY 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1huk n LYS 233 N -2.40 2.79 -2.62 1.61 5.02 -0.10 -4.99 118.16 117.48 1huk n LYS 233 Ca -0.15 -2.32 -0.39 0.00 -2.02 0.00 0.00 58.31 53.43 1huk n LYS 233 Cb 0.57 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 34.12 1huk n LYS 233 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1huk s SER 234 N -1.01 7.35 0.42 4.39 0.15 -1.22 -4.88 113.70 118.91 1huk s SER 234 Ca 0.35 2.08 0.29 0.00 0.70 0.00 0.00 55.95 59.36 1huk s SER 234 Cb 0.18 -2.61 1.50 0.00 -1.71 0.00 0.00 66.02 63.38 1huk s SER 234 CO 0.24 -0.07 1.89 0.77 1.20 0.00 0.00 173.24 177.27 1huk h SER 235 N 3.70 0.00 -0.46 5.45 4.64 -1.96 -3.39 113.55 121.53 1huk h SER 235 Ca -0.46 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.03 1huk h SER 235 Cb 1.21 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.10 1huk h SER 235 CO 0.66 0.00 -0.08 -0.62 -0.87 0.00 0.00 176.83 175.93 1huk s ASP 236 N -4.50 -0.72 0.00 4.97 -1.08 -1.26 -5.02 116.67 109.05 1huk s ASP 236 Ca -0.02 0.16 0.22 0.00 -0.52 0.00 0.00 52.55 52.39 1huk s ASP 236 Cb 0.09 1.49 0.99 0.00 -1.46 0.00 0.00 42.92 44.03 1huk s ASP 236 CO 0.31 -0.13 1.68 -1.54 0.52 0.00 0.00 175.17 176.01 1huk n SER 237 N 5.26 0.98 -2.51 -0.34 3.41 -1.26 -4.92 113.62 114.24 1huk n SER 237 Ca 0.05 -1.53 -0.17 0.00 -0.26 0.00 0.00 58.87 56.96 1huk n SER 237 Cb 0.56 -0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1huk n SER 237 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1huk n LYS 238 N -0.15 -2.26 -1.01 4.33 4.76 -1.26 -0.77 118.16 121.80 1huk n LYS 238 Ca 0.16 0.78 -0.00 0.00 -2.87 0.00 0.00 58.31 56.38 1huk n LYS 238 Cb 0.23 -5.43 -0.00 0.00 -1.84 0.00 0.00 35.03 27.99 1huk n LYS 238 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1huk n GLY 239 N -0.96 0.47 3.72 0.72 0.00 -1.26 -4.98 105.19 102.89 1huk n GLY 239 Ca -0.18 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1huk n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1huk s ILE 240 N -1.94 2.80 -0.25 -0.61 1.01 0.05 -4.66 121.20 117.60 1huk s ILE 240 Ca 0.00 0.59 -0.29 0.00 0.00 0.00 0.00 60.65 60.95 1huk s ILE 240 Cb 0.00 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1huk s ILE 240 CO 0.00 0.05 1.17 -0.62 0.00 0.00 0.00 174.94 175.54 1huk s ASP 241 N 1.05 6.92 -0.09 3.58 -1.08 0.69 -4.88 116.67 122.85 1huk s ASP 241 Ca 0.67 1.35 0.16 0.00 -0.52 0.00 0.00 52.55 54.22 1huk s ASP 241 Cb -0.42 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.08 1huk s ASP 241 CO 0.32 -0.84 1.49 0.18 0.52 0.00 0.00 175.17 176.85 1huk n LEU 242 N 6.82 4.11 -4.74 -1.34 4.77 -1.26 -4.81 117.00 120.55 1huk n LEU 242 Ca 0.13 -2.44 -0.41 0.00 -0.03 0.00 0.00 56.01 53.26 1huk n LEU 242 Cb 0.46 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1huk n LEU 242 CO 0.57 0.77 1.08 -0.89 -1.33 0.00 0.00 177.39 177.59 1huk s THR 243 N -1.80 2.88 0.14 -5.08 2.01 -1.26 -4.74 115.64 107.79 1huk s THR 243 Ca 0.42 0.71 -0.09 0.00 0.31 0.00 0.00 61.69 63.05 1huk s THR 243 Cb 0.28 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 1huk s THR 243 CO 0.20 0.10 0.25 0.54 -0.69 0.00 0.00 174.62 175.01 1huk s ASN 244 N 0.50 0.07 0.00 3.53 2.20 -1.18 -4.33 114.94 115.74 1huk s ASN 244 Ca 0.60 -0.80 0.00 0.00 -0.94 0.00 0.00 52.86 51.72 1huk s ASN 244 Cb -0.40 0.40 0.00 0.00 -2.00 0.00 0.00 41.25 39.25 1huk s ASN 244 CO 0.39 -0.84 0.57 1.33 -2.94 0.00 0.00 177.10 175.61 1huk n VAL 245 N -0.16 0.28 0.00 3.54 0.24 -1.26 0.07 118.33 121.04 1huk n VAL 245 Ca -0.10 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1huk n VAL 245 Cb 0.63 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 1huk n VAL 245 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1huk n THR 246 N -0.14 0.00 -3.65 3.34 -2.24 -1.26 -4.55 114.28 105.78 1huk n THR 246 Ca 0.00 -0.34 -0.37 0.00 -2.27 0.00 0.00 64.05 61.07 1huk n THR 246 Cb 0.15 0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 69.14 1huk n THR 246 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1huk s LEU 247 N -2.32 5.50 0.58 3.22 1.43 -1.26 -4.94 118.68 120.88 1huk s LEU 247 Ca 0.00 -3.13 0.31 0.00 -1.03 0.00 0.00 54.13 50.29 1huk s LEU 247 Cb 0.00 -1.91 1.76 0.00 0.03 0.00 0.00 46.19 46.07 1huk s LEU 247 CO 0.00 -0.33 2.20 -0.65 0.23 0.00 0.00 176.35 177.80 1huk h PRO 248 N 6.77 0.00 -0.07 1.29 0.11 -1.96 -2.07 132.00 136.07 1huk h PRO 248 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1huk h PRO 248 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1huk h PRO 248 CO 0.76 0.05 0.00 -0.25 -0.21 0.00 0.00 178.00 178.35 1huk n ASP 249 N -3.62 0.97 -4.90 -2.05 8.00 -1.26 -4.82 116.55 108.88 1huk n ASP 249 Ca -0.02 -1.50 -0.33 0.00 0.71 0.00 0.00 54.79 53.64 1huk n ASP 249 Cb 0.15 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.15 1huk n ASP 249 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1huk s THR 250 N -1.91 5.41 0.53 -3.53 -4.23 -0.78 -5.01 115.64 106.13 1huk s THR 250 Ca 0.34 -0.15 0.30 0.00 -1.18 0.00 0.00 61.69 61.00 1huk s THR 250 Cb 0.17 -3.52 0.47 0.00 1.34 0.00 0.00 72.50 70.97 1huk s THR 250 CO 0.28 0.34 1.90 -0.65 -0.54 0.00 0.00 174.62 175.95 1huk h PRO 251 N 3.89 0.02 -0.40 3.99 0.11 -1.87 -2.50 132.00 135.23 1huk h PRO 251 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1huk h PRO 251 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1huk h PRO 251 CO 0.68 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.73 1huk n THR 252 N -4.29 0.64 -1.76 -1.15 -2.24 -1.26 -4.98 114.28 99.24 1huk n THR 252 Ca 0.17 -0.82 -0.41 0.00 -2.27 0.00 0.00 64.05 60.72 1huk n THR 252 Cb 0.91 0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 69.96 1huk n THR 252 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1huk n TYR 253 N 1.21 2.90 -3.15 4.78 9.36 -0.95 -3.11 117.16 128.22 1huk n TYR 253 Ca 0.17 0.40 0.05 0.00 3.32 0.00 0.00 57.90 61.84 1huk n TYR 253 Cb 0.53 -2.54 -0.00 0.00 -0.63 0.00 0.00 39.34 36.70 1huk n TYR 253 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1huk s SER 254 N 0.04 -0.88 0.28 2.98 0.15 0.11 -4.93 113.70 111.45 1huk s SER 254 Ca 0.57 0.09 -0.03 0.00 0.70 0.00 0.00 55.95 57.28 1huk s SER 254 Cb -0.49 1.55 0.39 0.00 -1.71 0.00 0.00 66.02 65.76 1huk s SER 254 CO 0.59 -0.16 1.93 0.11 1.20 0.00 0.00 173.24 176.91 1huk h LYS 255 N 7.51 1.10 0.00 5.44 1.57 -1.80 -1.71 116.57 128.68 1huk h LYS 255 Ca -0.06 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1huk h LYS 255 Cb 1.18 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1huk h LYS 255 CO -0.00 0.77 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 1huk n ALA 256 N -2.41 2.43 0.21 3.86 0.00 -1.26 -2.61 120.51 120.72 1huk n ALA 256 Ca 0.09 -0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.43 1huk n ALA 256 Cb 0.06 -1.45 0.48 0.00 0.00 0.00 0.00 19.45 18.54 1huk n ALA 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1huk h ALA 257 N 3.46 1.65 -0.25 0.00 0.00 -1.67 -1.84 119.26 120.61 1huk h ALA 257 Ca 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1huk h ALA 257 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1huk h ALA 257 CO 0.00 0.26 -0.06 1.03 0.00 0.00 0.00 179.25 180.48 1huk h SER 258 N 0.03 0.37 0.66 0.00 0.87 -1.69 -2.99 113.55 110.80 1huk h SER 258 Ca 0.00 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.45 1huk h SER 258 Cb 0.36 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1huk h SER 258 CO 0.03 0.49 -0.18 0.44 -0.53 0.00 0.00 176.83 177.07 1huk h ASP 259 N 0.38 0.00 -0.02 6.23 5.19 -1.53 -2.93 116.42 123.74 1huk h ASP 259 Ca 0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1huk h ASP 259 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1huk h ASP 259 CO 0.02 0.18 0.00 0.00 -3.12 0.00 0.00 179.24 176.32 1huk n ALA 260 N -2.25 2.62 -2.47 3.45 0.00 -1.13 -4.85 120.51 115.88 1huk n ALA 260 Ca -0.01 -0.34 -0.41 0.00 0.00 0.00 0.00 53.44 52.68 1huk n ALA 260 Cb 0.34 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 1huk n ALA 260 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1huk s ILE 261 N -1.99 4.74 0.53 0.00 -1.09 -1.11 -5.05 121.20 117.23 1huk s ILE 261 Ca 0.41 1.81 -0.20 0.00 -2.23 0.00 0.00 60.65 60.44 1huk s ILE 261 Cb 0.21 -4.20 -0.09 0.00 -1.58 0.00 0.00 42.46 36.80 1huk s ILE 261 CO 0.34 0.30 0.73 -2.65 -1.23 0.00 0.00 174.94 172.42 1huk n PRO 262 N 3.15 0.77 -1.49 2.79 -0.02 -1.26 -4.97 135.00 133.96 1huk n PRO 262 Ca 0.01 0.29 -0.32 0.00 -2.02 0.00 0.00 63.50 61.46 1huk n PRO 262 Cb 0.50 -1.85 0.07 0.00 -0.02 0.00 0.00 33.50 32.20 1huk n PRO 262 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1huk s PRO 263 N -2.17 2.60 0.28 0.52 0.04 -1.26 -4.94 135.00 130.06 1huk s PRO 263 Ca 0.69 1.17 -0.28 0.00 0.04 0.00 0.00 61.00 62.62 1huk s PRO 263 Cb -0.48 -1.94 -0.14 0.00 0.04 0.00 0.00 34.50 31.98 1huk s PRO 263 CO 0.53 -1.38 0.99 0.00 0.04 0.00 0.00 177.00 177.18 1huk n ALA 264 N -3.09 -0.43 -2.66 8.56 0.00 -1.26 -4.88 120.51 116.74 1huk n ALA 264 Ca 0.09 0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.84 1huk n ALA 264 Cb 0.53 -1.99 0.04 0.00 0.00 0.00 0.00 19.45 18.02 1huk n ALA 264 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1huk n SER 265 N 1.32 1.26 -4.67 0.00 3.41 0.20 -5.00 113.62 110.14 1huk n SER 265 Ca 0.10 -2.69 -0.47 0.00 -0.26 0.00 0.00 58.87 55.55 1huk n SER 265 Cb 0.31 -0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 63.77 1huk n SER 265 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1huk n LEU 266 N -0.09 3.10 -4.45 1.04 0.00 -1.09 -1.31 117.00 114.20 1huk n LEU 266 Ca 0.08 1.05 -0.26 0.00 0.00 0.00 0.00 56.01 56.88 1huk n LEU 266 Cb 0.82 -1.38 -0.11 0.00 0.00 0.00 0.00 43.42 42.75 1huk n LEU 266 CO 0.25 -0.26 -0.50 -0.54 0.00 0.00 0.00 177.39 176.33 1huk s LYS 267 N 2.02 1.63 0.59 1.96 1.02 -0.56 -4.89 119.74 121.51 1huk s LYS 267 Ca 0.84 -1.52 -0.19 0.00 0.02 0.00 0.00 55.97 55.12 1huk s LYS 267 Cb -0.71 -1.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1huk s LYS 267 CO 0.44 0.39 1.14 0.00 -0.92 0.00 0.00 175.35 176.40 1huk n ALA 268 N 0.10 0.73 -1.59 5.17 0.00 -1.26 -4.28 120.51 119.37 1huk n ALA 268 Ca -0.11 0.04 -0.51 0.00 0.00 0.00 0.00 53.44 52.86 1huk n ALA 268 Cb 0.56 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.74 1huk n ALA 268 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1huk n ASP 269 N -1.07 1.64 -4.77 0.00 9.92 -1.26 -4.31 116.55 116.71 1huk n ASP 269 Ca 0.13 1.12 -0.39 0.00 -0.53 0.00 0.00 54.79 55.13 1huk n ASP 269 Cb 0.47 -1.21 -0.03 0.00 -0.64 0.00 0.00 41.12 39.71 1huk n ASP 269 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1huk s ALA 270 N 0.34 3.24 0.48 2.24 0.00 0.95 -4.89 121.76 124.13 1huk s ALA 270 Ca 0.81 0.90 -0.23 0.00 0.00 0.00 0.00 51.96 53.44 1huk s ALA 270 Cb -0.92 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 18.78 1huk s ALA 270 CO 0.48 -0.34 1.23 -0.35 0.00 0.00 0.00 175.76 176.77 1huk n PRO 271 N 0.45 1.69 -3.93 0.00 -0.04 -1.26 -4.65 135.00 127.26 1huk n PRO 271 Ca 0.02 0.61 -0.34 0.00 -0.04 0.00 0.00 63.50 63.75 1huk n PRO 271 Cb 0.46 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.49 1huk n PRO 271 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1huk s ILE 272 N -1.27 5.36 0.47 0.52 1.01 -1.26 -5.00 121.20 121.04 1huk s ILE 272 Ca 0.66 -0.07 -0.24 0.00 0.00 0.00 0.00 60.65 60.99 1huk s ILE 272 Cb -0.48 -3.44 -0.08 0.00 0.01 0.00 0.00 42.46 38.47 1huk s ILE 272 CO 0.54 0.42 1.40 -0.67 0.00 0.00 0.00 174.94 176.64 1huk n ASP 273 N 1.31 3.09 0.26 3.58 2.03 -1.26 -4.87 116.55 120.69 1huk n ASP 273 Ca -0.14 1.08 0.17 0.00 0.52 0.00 0.00 54.79 56.42 1huk n ASP 273 Cb 0.53 -1.59 0.78 0.00 -0.72 0.00 0.00 41.12 40.13 1huk n ASP 273 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1huk h LYS 274 N 2.05 0.00 0.00 -0.67 6.56 -2.03 -2.23 116.57 120.24 1huk h LYS 274 Ca -0.51 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.04 1huk h LYS 274 Cb 1.28 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.93 1huk h LYS 274 CO 0.60 0.00 -0.19 0.66 -2.06 0.00 0.00 179.45 178.46 1huk h SER 275 N 0.00 0.00 0.65 0.86 4.64 -2.01 -2.10 113.55 115.59 1huk h SER 275 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1huk h SER 275 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1huk h SER 275 CO 0.00 0.19 0.00 -0.38 -0.87 0.00 0.00 176.83 175.77 1huk n ILE 276 N -3.63 0.87 -0.09 0.95 2.08 -0.84 -2.06 119.36 116.63 1huk n ILE 276 Ca -0.01 0.21 -0.07 0.00 0.56 0.00 0.00 62.75 63.44 1huk n ILE 276 Cb 0.32 -1.02 0.11 0.00 -0.75 0.00 0.00 39.64 38.30 1huk n ILE 276 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1huk h ASP 277 N 0.00 0.77 -3.29 4.38 3.32 -1.57 -3.42 116.42 116.62 1huk h ASP 277 Ca 0.00 -0.25 -0.57 0.00 0.02 0.00 0.00 57.03 56.23 1huk h ASP 277 Cb 0.33 -0.21 0.13 0.00 0.22 0.00 0.00 39.33 39.80 1huk h ASP 277 CO 0.00 0.94 0.30 1.17 -1.72 0.00 0.00 179.24 179.92 1huk n LYS 278 N -4.14 1.55 -3.73 3.56 4.81 -0.87 -4.89 118.16 114.44 1huk n LYS 278 Ca 0.01 0.55 -0.37 0.00 -0.87 0.00 0.00 58.31 57.64 1huk n LYS 278 Cb 0.39 -2.19 -0.12 0.00 0.02 0.00 0.00 35.03 33.13 1huk n LYS 278 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1huk s TRP 279 N -1.26 3.10 0.14 5.64 -0.11 -1.26 -3.72 118.94 121.48 1huk s TRP 279 Ca 0.63 -0.35 -0.12 0.00 1.22 0.00 0.00 56.10 57.48 1huk s TRP 279 Cb -0.53 -2.26 -0.07 0.00 -1.50 0.00 0.00 33.47 29.12 1huk s TRP 279 CO 0.56 -0.33 0.51 -0.06 -4.62 0.00 0.00 176.95 173.01 1huk s PHE 280 N 1.64 3.57 0.00 5.86 0.40 0.12 -4.89 117.98 124.67 1huk s PHE 280 Ca 0.06 0.96 0.00 0.00 -0.60 0.00 0.00 56.93 57.35 1huk s PHE 280 Cb -0.15 -2.30 0.00 0.00 0.51 0.00 0.00 43.02 41.08 1huk s PHE 280 CO 0.05 0.43 0.26 1.19 0.70 0.00 0.00 175.22 177.84