#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1huj n TYR 2 N 0.00 -0.22 -4.00 -1.42 4.19 -0.16 -4.65 117.16 110.89 1huj n TYR 2 Ca 0.00 0.04 -0.00 0.00 3.31 0.00 0.00 57.90 61.25 1huj n TYR 2 Cb 0.00 0.08 -0.00 0.00 0.49 0.00 0.00 39.34 39.91 1huj n TYR 2 CO 0.00 0.00 0.00 0.25 0.91 0.00 0.00 176.86 178.02 1huj n THR 3 N -3.11 0.00 -4.63 2.97 -2.24 0.12 -4.89 114.28 102.50 1huj n THR 3 Ca 0.00 -0.01 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1huj n THR 3 Cb 0.00 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 1huj n THR 3 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1huj s THR 4 N -1.21 1.10 -0.30 4.28 2.01 -1.26 0.27 115.64 120.53 1huj s THR 4 Ca 0.00 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.44 1huj s THR 4 Cb 0.00 -0.94 0.06 0.00 0.01 0.00 0.00 72.50 71.64 1huj s THR 4 CO 0.00 0.32 -0.02 -0.60 -0.69 0.00 0.00 174.62 173.63 1huj s ARG 5 N -0.12 2.22 -0.26 4.92 3.52 0.71 -4.85 118.95 125.09 1huj s ARG 5 Ca 0.01 -1.41 -0.16 0.00 -0.13 0.00 0.00 55.73 54.04 1huj s ARG 5 Cb -0.08 -3.11 -0.03 0.00 -1.56 0.00 0.00 34.95 30.17 1huj s ARG 5 CO 0.00 -0.67 0.43 -1.14 -0.81 0.00 0.00 175.30 173.11 1huj s GLN 6 N 1.15 4.04 -0.25 5.12 0.74 -1.26 -0.67 119.66 128.53 1huj s GLN 6 Ca -0.04 0.16 -0.16 0.00 0.05 0.00 0.00 55.36 55.36 1huj s GLN 6 Cb -0.20 -3.65 -0.03 0.00 1.10 0.00 0.00 33.01 30.23 1huj s GLN 6 CO -0.04 -0.30 0.44 0.42 -0.55 0.00 0.00 175.29 175.27 1huj s ILE 7 N 2.13 5.13 0.00 -2.34 1.09 0.57 -1.04 121.20 126.74 1huj s ILE 7 Ca 0.17 0.74 0.00 0.00 -1.10 0.00 0.00 60.65 60.46 1huj s ILE 7 Cb -0.16 -3.76 0.00 0.00 -1.06 0.00 0.00 42.46 37.48 1huj s ILE 7 CO 0.10 0.14 0.00 0.61 -0.10 0.00 0.00 174.94 175.69 1huj n GLY 8 N 4.42 -1.10 3.87 6.18 0.00 -0.09 -2.30 105.19 116.16 1huj n GLY 8 Ca -0.06 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 1huj n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1huj s ALA 9 N -1.08 3.85 0.76 4.61 0.00 -1.26 -1.37 121.76 127.27 1huj s ALA 9 Ca 0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 51.01 1huj s ALA 9 Cb 0.00 -1.78 0.06 0.00 0.00 0.00 0.00 23.12 21.40 1huj s ALA 9 CO 0.00 0.74 1.20 0.21 0.00 0.00 0.00 175.76 177.91 1huj s LYS 10 N -1.96 1.96 -1.18 0.00 2.20 -1.26 -3.75 119.74 115.75 1huj s LYS 10 Ca 0.27 1.73 -0.02 0.00 -0.36 0.00 0.00 55.97 57.59 1huj s LYS 10 Cb -0.12 -1.82 0.00 0.00 -1.51 0.00 0.00 37.83 34.38 1huj s LYS 10 CO 0.19 -1.96 1.00 0.09 -0.36 0.00 0.00 175.35 174.30 1huj n ASN 11 N -2.96 -2.85 -3.67 1.43 3.02 -1.26 -0.65 115.26 108.32 1huj n ASN 11 Ca 0.13 -0.58 -0.14 0.00 -0.03 0.00 0.00 54.58 53.96 1huj n ASN 11 Cb 0.50 -4.93 -0.07 0.00 -0.61 0.00 0.00 39.78 34.67 1huj n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1huj s THR 12 N -3.34 0.04 0.03 3.41 2.01 -1.25 -4.74 115.64 111.80 1huj s THR 12 Ca 0.11 -0.36 0.27 0.00 0.31 0.00 0.00 61.69 62.02 1huj s THR 12 Cb -0.05 -0.83 0.29 0.00 0.01 0.00 0.00 72.50 71.92 1huj s THR 12 CO 0.70 -0.20 1.83 -0.07 -0.69 0.00 0.00 174.62 176.20 1huj h LEU 13 N 3.33 0.00 -0.06 4.42 3.38 -1.95 -3.04 115.31 121.39 1huj h LEU 13 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1huj h LEU 13 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1huj h LEU 13 CO 0.41 0.13 -0.15 1.21 0.09 0.00 0.00 178.44 180.13 1huj n GLU 14 N -3.24 0.23 -2.35 1.13 2.13 -1.26 -4.92 120.64 112.35 1huj n GLU 14 Ca 0.01 -0.06 -0.42 0.00 0.66 0.00 0.00 57.16 57.35 1huj n GLU 14 Cb 0.42 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.60 1huj n GLU 14 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1huj s TYR 15 N -2.82 3.39 -0.02 4.31 5.04 -1.15 -4.62 117.35 121.49 1huj s TYR 15 Ca 0.19 1.26 -0.03 0.00 -2.44 0.00 0.00 57.07 56.05 1huj s TYR 15 Cb 0.19 -3.48 0.00 0.00 0.35 0.00 0.00 41.96 39.03 1huj s TYR 15 CO 0.55 -1.49 0.08 0.15 -1.34 0.00 0.00 175.55 173.49 1huj s LYS 16 N 0.70 0.17 -0.23 4.97 1.02 -0.97 -4.43 119.74 120.97 1huj s LYS 16 Ca 0.58 -0.03 0.01 0.00 0.02 0.00 0.00 55.97 56.55 1huj s LYS 16 Cb -0.32 0.07 0.05 0.00 -0.52 0.00 0.00 37.83 37.12 1huj s LYS 16 CO 0.31 -0.03 -0.08 0.08 -0.92 0.00 0.00 175.35 174.71 1huj s VAL 17 N -0.30 1.69 0.19 3.17 1.01 -0.22 -0.31 120.40 125.62 1huj s VAL 17 Ca -0.04 -1.22 -0.13 0.00 0.00 0.00 0.00 61.98 60.59 1huj s VAL 17 Cb -0.03 -1.86 -0.07 0.00 0.00 0.00 0.00 36.38 34.43 1huj s VAL 17 CO 0.00 0.02 0.57 -0.31 0.00 0.00 0.00 175.10 175.38 1huj s TYR 18 N 1.34 3.54 -0.15 5.22 1.51 0.16 -0.79 117.35 128.18 1huj s TYR 18 Ca -0.05 1.05 -0.20 0.00 -1.01 0.00 0.00 57.07 56.86 1huj s TYR 18 Cb -0.18 -2.37 -0.03 0.00 -0.11 0.00 0.00 41.96 39.27 1huj s TYR 18 CO -0.07 0.36 0.56 0.42 -1.11 0.00 0.00 175.55 175.71 1huj s ILE 19 N -1.60 5.10 -0.14 2.71 1.01 -1.26 -0.20 121.20 126.81 1huj s ILE 19 Ca 0.42 1.09 -0.08 0.00 0.00 0.00 0.00 60.65 62.08 1huj s ILE 19 Cb -0.14 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1huj s ILE 19 CO 0.20 0.22 0.13 -1.61 0.00 0.00 0.00 174.94 173.88 1huj s GLU 20 N 1.28 3.66 -0.31 2.79 2.02 0.14 -0.66 118.70 127.62 1huj s GLU 20 Ca 0.28 -0.16 -0.07 0.00 0.02 0.00 0.00 54.97 55.04 1huj s GLU 20 Cb -0.16 -3.25 0.02 0.00 0.10 0.00 0.00 34.13 30.84 1huj s GLU 20 CO 0.11 0.63 0.09 0.21 0.02 0.00 0.00 175.26 176.32 1huj s LYS 21 N -0.59 2.87 -1.24 1.61 2.47 0.50 0.11 119.74 125.47 1huj s LYS 21 Ca 0.13 -1.00 -0.06 0.00 -1.56 0.00 0.00 55.97 53.47 1huj s LYS 21 Cb -0.12 -3.40 0.01 0.00 -1.46 0.00 0.00 37.83 32.86 1huj s LYS 21 CO 0.02 -0.54 1.07 -0.25 0.16 0.00 0.00 175.35 175.81 1huj n ASP 22 N 4.84 -5.15 0.00 1.43 8.00 -1.26 -1.83 116.55 122.58 1huj n ASP 22 Ca -0.14 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.84 1huj n ASP 22 Cb 0.46 -4.78 0.00 0.00 -0.02 0.00 0.00 41.12 36.79 1huj n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1huj n GLY 23 N -1.73 1.77 3.30 0.44 0.00 -1.26 -5.02 105.19 102.68 1huj n GLY 23 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1huj n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1huj s LYS 24 N -0.22 2.64 0.11 1.61 -0.14 -0.76 -4.98 119.74 118.01 1huj s LYS 24 Ca 0.00 -0.87 -0.31 0.00 -1.36 0.00 0.00 55.97 53.43 1huj s LYS 24 Cb 0.00 -2.23 -0.11 0.00 -1.68 0.00 0.00 37.83 33.81 1huj s LYS 24 CO 0.00 0.38 1.84 -2.30 -0.76 0.00 0.00 175.35 174.51 1huj n PRO 25 N 2.96 2.76 -4.29 -1.68 -0.02 -1.26 -0.37 135.00 133.11 1huj n PRO 25 Ca -0.18 1.01 -0.23 0.00 -2.02 0.00 0.00 63.50 62.08 1huj n PRO 25 Cb 0.52 -2.90 -0.07 0.00 -0.02 0.00 0.00 33.50 31.03 1huj n PRO 25 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1huj s VAL 26 N 2.82 3.48 -0.12 -1.45 -7.23 0.17 -4.50 120.40 113.57 1huj s VAL 26 Ca 0.83 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.81 1huj s VAL 26 Cb -0.49 -2.86 -0.03 0.00 0.56 0.00 0.00 36.38 33.55 1huj s VAL 26 CO 0.38 -0.37 1.49 -0.55 -0.31 0.00 0.00 175.10 175.73 1huj s SER 27 N -3.67 6.75 0.58 4.85 0.15 -1.26 -4.27 113.70 116.83 1huj s SER 27 Ca 0.31 1.93 0.37 0.00 0.70 0.00 0.00 55.95 59.26 1huj s SER 27 Cb -0.06 -2.54 1.68 0.00 -1.71 0.00 0.00 66.02 63.39 1huj s SER 27 CO 0.20 -0.90 2.10 0.00 1.20 0.00 0.00 173.24 175.84 1huj h ALA 28 N 9.13 1.01 0.00 5.45 0.00 -1.63 0.84 119.26 134.06 1huj h ALA 28 Ca -0.33 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1huj h ALA 28 Cb 1.14 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1huj h ALA 28 CO 0.97 0.01 -0.25 0.35 0.00 0.00 0.00 179.25 180.33 1huj h PHE 29 N 0.00 0.00 0.00 0.00 3.04 -1.82 -3.43 116.94 114.73 1huj h PHE 29 Ca -0.00 0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.70 1huj h PHE 29 Cb 0.36 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.82 1huj h PHE 29 CO 0.00 0.84 -1.95 0.72 -2.02 0.00 0.00 178.31 175.90 1huj n HIS 30 N -4.61 0.00 1.02 0.41 -0.00 -1.07 -0.31 115.22 110.66 1huj n HIS 30 Ca -0.12 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.71 1huj n HIS 30 Cb 0.41 -0.69 0.01 0.00 -0.00 0.00 0.00 29.99 29.72 1huj n HIS 30 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1huj n ASP 31 N -2.52 1.14 -4.67 0.41 8.00 0.27 -4.73 116.55 114.45 1huj n ASP 31 Ca -0.23 -0.97 -0.37 0.00 0.71 0.00 0.00 54.79 53.92 1huj n ASP 31 Cb 0.95 0.69 -0.08 0.00 -0.02 0.00 0.00 41.12 42.66 1huj n ASP 31 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1huj s ILE 32 N -2.85 5.26 0.23 0.53 1.01 -1.23 -4.85 121.20 119.31 1huj s ILE 32 Ca 0.12 0.50 -0.31 0.00 0.00 0.00 0.00 60.65 60.96 1huj s ILE 32 Cb 0.17 -3.64 -0.14 0.00 0.01 0.00 0.00 42.46 38.86 1huj s ILE 32 CO 0.75 0.29 1.35 -2.65 0.00 0.00 0.00 174.94 174.68 1huj n PRO 33 N 4.38 1.88 -0.21 2.79 -0.02 -1.26 -4.31 135.00 138.25 1huj n PRO 33 Ca -0.11 0.67 -0.05 0.00 -2.02 0.00 0.00 63.50 61.99 1huj n PRO 33 Cb 0.51 -2.29 0.06 0.00 -0.02 0.00 0.00 33.50 31.76 1huj n PRO 33 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1huj h LEU 34 N 3.95 0.63 -9.15 2.45 5.85 -1.89 -3.36 115.31 113.78 1huj h LEU 34 Ca -0.45 -0.00 -0.62 0.00 0.84 0.00 0.00 57.88 57.66 1huj h LEU 34 Cb 1.29 -0.13 -0.15 0.00 0.37 0.00 0.00 40.66 42.03 1huj h LEU 34 CO 0.74 0.44 -0.55 -0.31 -0.34 0.00 0.00 178.44 178.42 1huj s TYR 35 N -6.13 3.29 -0.20 1.25 2.02 -1.26 -0.40 117.35 115.91 1huj s TYR 35 Ca -0.13 0.14 0.19 0.00 -0.37 0.00 0.00 57.07 56.90 1huj s TYR 35 Cb 0.14 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1huj s TYR 35 CO 0.75 0.21 1.15 0.00 -1.57 0.00 0.00 175.55 176.09 1huj h ALA 36 N 6.56 0.66 -1.11 3.71 0.00 -0.93 -3.44 119.26 124.71 1huj h ALA 36 Ca -0.39 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 53.99 1huj h ALA 36 Cb 1.17 0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.84 1huj h ALA 36 CO 0.70 0.47 -0.49 0.34 0.00 0.00 0.00 179.25 180.27 1huj s ASP 37 N -5.90 -1.21 0.45 0.00 -1.08 -0.76 -4.98 116.67 103.19 1huj s ASP 37 Ca 0.01 -1.18 0.11 0.00 -0.52 0.00 0.00 52.55 50.97 1huj s ASP 37 Cb 0.08 1.77 1.03 0.00 -1.46 0.00 0.00 42.92 44.34 1huj s ASP 37 CO 0.77 -0.14 2.09 0.07 0.52 0.00 0.00 175.17 178.47 1huj h LYS 38 N 6.41 0.33 -0.44 4.34 2.10 -1.85 0.47 116.57 127.92 1huj h LYS 38 Ca 0.06 -0.02 0.06 0.00 -2.00 0.00 0.00 60.65 58.75 1huj h LYS 38 Cb 1.14 -0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 32.35 1huj h LYS 38 CO 0.09 0.22 0.14 0.93 -2.00 0.00 0.00 179.45 178.83 1huj h GLU 39 N 0.34 0.29 -0.35 0.07 3.07 -1.95 -1.85 114.58 114.21 1huj h GLU 39 Ca 0.11 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1huj h GLU 39 Cb 0.02 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1huj h GLU 39 CO -0.02 0.19 0.00 0.09 -1.40 0.00 0.00 179.01 177.87 1huj n ASN 40 N -5.03 3.77 -3.76 1.42 3.02 -0.83 -4.97 115.26 108.88 1huj n ASN 40 Ca 0.03 -2.61 -0.27 0.00 -0.03 0.00 0.00 54.58 51.71 1huj n ASN 40 Cb 0.17 -0.45 0.05 0.00 -0.61 0.00 0.00 39.78 38.94 1huj n ASN 40 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1huj n ASN 41 N 0.08 -5.03 -4.66 6.41 3.02 0.02 -4.97 115.26 110.12 1huj n ASN 41 Ca 0.19 -0.69 -0.39 0.00 -0.03 0.00 0.00 54.58 53.66 1huj n ASN 41 Cb 0.75 -4.38 -0.07 0.00 -0.61 0.00 0.00 39.78 35.48 1huj n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1huj s ILE 42 N -3.34 5.10 0.26 2.41 -1.09 -0.41 -4.47 121.20 119.68 1huj s ILE 42 Ca 0.56 0.95 0.04 0.00 -2.23 0.00 0.00 60.65 59.97 1huj s ILE 42 Cb -0.27 -3.84 -0.03 0.00 -1.58 0.00 0.00 42.46 36.74 1huj s ILE 42 CO 0.79 0.17 0.40 -0.36 -1.23 0.00 0.00 174.94 174.71 1huj s PHE 43 N 1.68 3.44 -0.29 3.97 0.08 0.02 -0.38 117.98 126.50 1huj s PHE 43 Ca 0.24 0.04 -0.16 0.00 0.12 0.00 0.00 56.93 57.17 1huj s PHE 43 Cb -0.15 -1.65 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 1huj s PHE 43 CO 0.09 0.36 0.41 -0.80 -0.10 0.00 0.00 175.22 175.18 1huj s ASN 44 N -4.00 6.27 -0.16 1.36 0.01 0.46 -2.14 114.94 116.73 1huj s ASN 44 Ca 0.36 0.21 -0.09 0.00 -0.71 0.00 0.00 52.86 52.62 1huj s ASN 44 Cb -0.09 -2.22 -0.05 0.00 0.41 0.00 0.00 41.25 39.30 1huj s ASN 44 CO 0.30 -0.25 0.15 -0.32 -1.51 0.00 0.00 177.10 175.47 1huj s MET 45 N 2.13 3.94 -0.37 -0.60 -2.45 0.11 -4.18 119.30 117.88 1huj s MET 45 Ca 0.16 -0.15 -0.17 0.00 -1.25 0.00 0.00 55.69 54.28 1huj s MET 45 Cb -0.16 -3.34 0.00 0.00 1.25 0.00 0.00 34.83 32.58 1huj s MET 45 CO 0.10 0.46 0.44 0.08 1.05 0.00 0.00 175.02 177.16 1huj s VAL 46 N -0.13 5.09 -0.01 10.11 1.01 -0.58 -0.62 120.40 135.27 1huj s VAL 46 Ca 0.11 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1huj s VAL 46 Cb -0.12 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1huj s VAL 46 CO 0.01 -0.24 1.04 -0.69 0.00 0.00 0.00 175.10 175.22 1huj s VAL 47 N 2.19 4.66 -0.22 2.92 1.01 0.66 -1.81 120.40 129.81 1huj s VAL 47 Ca 0.14 1.92 -0.10 0.00 0.00 0.00 0.00 61.98 63.94 1huj s VAL 47 Cb -0.16 -4.23 -0.10 0.00 0.00 0.00 0.00 36.38 31.89 1huj s VAL 47 CO 0.13 0.12 -0.28 -0.62 0.00 0.00 0.00 175.10 174.45 1huj n GLU 48 N 4.17 0.47 -3.83 2.72 1.02 0.12 -1.67 120.64 123.64 1huj n GLU 48 Ca 0.07 0.20 -0.28 0.00 -0.02 0.00 0.00 57.16 57.13 1huj n GLU 48 Cb 0.49 -1.29 -0.16 0.00 -0.02 0.00 0.00 31.44 30.46 1huj n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1huj s ILE 49 N -2.40 0.92 0.70 -3.67 1.01 -0.17 -4.57 121.20 113.02 1huj s ILE 49 Ca -0.30 -0.72 -0.17 0.00 0.00 0.00 0.00 60.65 59.46 1huj s ILE 49 Cb 0.11 -1.27 0.02 0.00 0.01 0.00 0.00 42.46 41.33 1huj s ILE 49 CO 0.39 -0.08 1.27 -2.84 0.00 0.00 0.00 174.94 173.68 1huj s PRO 50 N 1.69 2.27 0.24 2.79 0.02 -1.26 0.32 135.00 141.06 1huj s PRO 50 Ca -0.02 1.97 -0.31 0.00 0.02 0.00 0.00 61.00 62.67 1huj s PRO 50 Cb -0.17 -1.82 -0.11 0.00 0.02 0.00 0.00 34.50 32.42 1huj s PRO 50 CO -0.07 -1.79 1.61 0.50 -0.33 0.00 0.00 177.00 176.92 1huj s ARG 51 N -3.61 4.16 0.00 5.54 3.52 -1.24 -2.61 118.95 124.71 1huj s ARG 51 Ca 0.80 2.51 0.00 0.00 -0.13 0.00 0.00 55.73 58.91 1huj s ARG 51 Cb -0.35 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 1huj s ARG 51 CO 0.43 -0.64 0.00 0.91 -0.81 0.00 0.00 175.30 175.19 1huj n TRP 52 N 3.09 0.00 -3.99 5.12 8.01 0.26 -4.96 117.44 124.97 1huj n TRP 52 Ca 0.11 0.00 -0.26 0.00 -1.31 0.00 0.00 57.50 56.04 1huj n TRP 52 Cb 0.37 -0.62 -0.02 0.00 -2.01 0.00 0.00 31.31 29.03 1huj n TRP 52 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 1huj s THR 53 N -2.00 1.76 0.00 -0.99 -4.23 -1.07 -4.56 115.64 104.54 1huj s THR 53 Ca 0.00 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1huj s THR 53 Cb 0.00 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.52 1huj s THR 53 CO 0.00 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.67 1huj n ASN 54 N -1.63 3.31 -4.66 3.99 4.13 -1.26 -1.16 115.26 117.99 1huj n ASN 54 Ca -0.03 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.80 1huj n ASN 54 Cb 0.64 0.42 -0.03 0.00 -1.54 0.00 0.00 39.78 39.28 1huj n ASN 54 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1huj s ALA 55 N -1.57 3.61 -1.26 5.41 0.00 -1.26 0.40 121.76 127.09 1huj s ALA 55 Ca 0.00 0.84 -0.19 0.00 0.00 0.00 0.00 51.96 52.61 1huj s ALA 55 Cb 0.00 -3.73 0.01 0.00 0.00 0.00 0.00 23.12 19.41 1huj s ALA 55 CO 0.00 -1.38 1.85 1.17 0.00 0.00 0.00 175.76 177.40 1huj n LYS 56 N 7.06 2.67 -3.21 0.00 0.00 0.18 -4.91 118.16 119.96 1huj n LYS 56 Ca 0.17 -2.94 -0.39 0.00 0.00 0.00 0.00 58.31 55.15 1huj n LYS 56 Cb 0.43 -3.51 -0.06 0.00 0.00 0.00 0.00 35.03 31.89 1huj n LYS 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1huj s LEU 57 N 5.66 4.37 0.02 3.14 1.43 -1.26 -0.37 118.68 131.67 1huj s LEU 57 Ca 0.57 1.08 0.02 0.00 -1.03 0.00 0.00 54.13 54.78 1huj s LEU 57 Cb 0.04 -2.89 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 1huj s LEU 57 CO 0.08 0.05 -0.08 -1.61 0.23 0.00 0.00 176.35 175.02 1huj s GLU 58 N 0.15 0.54 -0.11 1.70 2.02 0.20 -4.63 118.70 118.57 1huj s GLU 58 Ca 0.31 -0.53 -0.31 0.00 0.02 0.00 0.00 54.97 54.46 1huj s GLU 58 Cb -0.17 -0.42 -0.09 0.00 0.10 0.00 0.00 34.13 33.55 1huj s GLU 58 CO 0.16 0.10 2.04 -0.89 0.02 0.00 0.00 175.26 176.69 1huj n ILE 59 N 2.11 0.54 -2.85 -1.63 5.41 -1.26 -0.97 119.36 120.71 1huj n ILE 59 Ca -0.18 -0.24 -0.42 0.00 1.00 0.00 0.00 62.75 62.91 1huj n ILE 59 Cb 0.56 -2.19 -0.04 0.00 -0.71 0.00 0.00 39.64 37.26 1huj n ILE 59 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1huj s THR 60 N 5.78 4.76 0.28 1.39 2.01 0.09 -4.92 115.64 125.03 1huj s THR 60 Ca 0.96 1.51 0.16 0.00 0.31 0.00 0.00 61.69 64.63 1huj s THR 60 Cb -0.52 -4.18 0.11 0.00 0.01 0.00 0.00 72.50 67.91 1huj s THR 60 CO 0.44 -0.19 1.78 0.03 -0.69 0.00 0.00 174.62 175.98 1huj h ARG 61 N 7.85 0.00 -0.57 4.92 3.08 -1.91 -3.14 114.38 124.61 1huj h ARG 61 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1huj h ARG 61 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1huj h ARG 61 CO 0.91 0.39 0.00 -0.85 -1.07 0.00 0.00 179.97 179.35 1huj n GLU 62 N -3.78 2.82 -4.59 0.04 0.00 -1.26 -0.13 120.64 113.73 1huj n GLU 62 Ca -0.01 -2.42 -0.34 0.00 0.00 0.00 0.00 57.16 54.39 1huj n GLU 62 Cb 0.47 -1.46 -0.12 0.00 0.00 0.00 0.00 31.44 30.33 1huj n GLU 62 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1huj s GLU 63 N -1.03 3.17 0.11 3.44 2.56 -1.19 -4.67 118.70 121.09 1huj s GLU 63 Ca 0.39 -0.57 -0.32 0.00 0.00 0.00 0.00 54.97 54.47 1huj s GLU 63 Cb 0.20 -2.70 -0.11 0.00 2.00 0.00 0.00 34.13 33.52 1huj s GLU 63 CO 0.26 0.44 1.81 2.41 -0.56 0.00 0.00 175.26 179.61 1huj n THR 64 N 2.90 0.32 -1.07 -1.70 -1.04 -1.26 0.29 114.28 112.73 1huj n THR 64 Ca -0.18 -0.06 -0.02 0.00 -2.04 0.00 0.00 64.05 61.75 1huj n THR 64 Cb 0.53 -2.02 -0.01 0.00 -1.82 0.00 0.00 70.33 67.01 1huj n THR 64 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1huj n LEU 65 N 5.38 0.12 -3.99 -4.42 4.77 -1.26 -4.47 117.00 113.13 1huj n LEU 65 Ca 0.18 0.06 -0.35 0.00 -0.03 0.00 0.00 56.01 55.87 1huj n LEU 65 Cb 0.35 -1.35 -0.00 0.00 -2.33 0.00 0.00 43.42 40.09 1huj n LEU 65 CO 0.66 -0.41 -0.21 0.59 -1.33 0.00 0.00 177.39 176.69 1huj n ASN 66 N -0.12 -2.63 -4.70 -1.43 3.02 0.15 -2.33 115.26 107.22 1huj n ASN 66 Ca -0.02 -1.16 -0.32 0.00 -0.03 0.00 0.00 54.58 53.05 1huj n ASN 66 Cb 0.22 -2.43 0.14 0.00 -0.61 0.00 0.00 39.78 37.11 1huj n ASN 66 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1huj s PRO 67 N -6.85 1.44 -0.19 3.52 0.04 -1.26 -3.90 135.00 127.81 1huj s PRO 67 Ca 0.29 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 1huj s PRO 67 Cb -0.13 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1huj s PRO 67 CO 0.93 -2.31 1.07 0.42 0.04 0.00 0.00 177.00 177.15 1huj s ILE 68 N -2.57 4.63 0.11 0.56 1.01 0.03 -0.73 121.20 124.25 1huj s ILE 68 Ca 0.67 1.95 0.04 0.00 0.00 0.00 0.00 60.65 63.31 1huj s ILE 68 Cb -0.23 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 1huj s ILE 68 CO 0.55 -0.13 -0.10 -0.63 0.00 0.00 0.00 174.94 174.63 1huj s ILE 69 N 2.96 1.02 0.17 2.92 1.01 -0.14 -1.06 121.20 128.08 1huj s ILE 69 Ca 0.47 -1.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.06 1huj s ILE 69 Cb -0.17 -1.51 -0.07 0.00 0.01 0.00 0.00 42.46 40.72 1huj s ILE 69 CO 0.10 -0.60 0.97 -1.58 0.00 0.00 0.00 174.94 173.82 1huj s GLN 70 N -3.05 4.75 0.62 2.79 0.74 -1.26 -0.63 119.66 123.63 1huj s GLN 70 Ca 0.09 1.50 -0.17 0.00 0.05 0.00 0.00 55.36 56.82 1huj s GLN 70 Cb -0.01 -3.33 -0.02 0.00 1.10 0.00 0.00 33.01 30.75 1huj s GLN 70 CO 0.00 0.33 1.17 0.34 -0.55 0.00 0.00 175.29 176.57 1huj s ASP 71 N -0.51 5.11 0.15 6.67 2.15 0.50 -4.87 116.67 125.86 1huj s ASP 71 Ca 0.45 2.24 0.06 0.00 0.43 0.00 0.00 52.55 55.72 1huj s ASP 71 Cb -0.25 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.75 1huj s ASP 71 CO 0.31 -1.64 -0.13 0.42 -0.17 0.00 0.00 175.17 173.96 1huj s THR 72 N -1.89 1.41 -0.20 1.71 -4.23 -1.26 -0.27 115.64 110.90 1huj s THR 72 Ca 0.73 -1.91 -0.02 0.00 -1.18 0.00 0.00 61.69 59.31 1huj s THR 72 Cb -0.26 -1.72 0.06 0.00 1.34 0.00 0.00 72.50 71.91 1huj s THR 72 CO 0.36 -0.52 0.02 -0.75 -0.54 0.00 0.00 174.62 173.19 1huj s LYS 73 N -3.12 0.83 -1.38 3.99 2.20 0.14 -4.74 119.74 117.66 1huj s LYS 73 Ca 0.14 -0.53 -0.02 0.00 -0.36 0.00 0.00 55.97 55.19 1huj s LYS 73 Cb -0.02 -2.20 0.00 0.00 -1.51 0.00 0.00 37.83 34.09 1huj s LYS 73 CO 0.03 -0.64 0.44 1.63 -0.36 0.00 0.00 175.35 176.45 1huj n LYS 74 N 4.98 -3.01 0.00 4.03 5.02 -1.26 -2.83 118.16 125.10 1huj n LYS 74 Ca -0.09 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1huj n LYS 74 Cb 0.47 -4.43 0.00 0.00 -0.02 0.00 0.00 35.03 31.05 1huj n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1huj n GLY 75 N -1.98 2.77 3.84 0.72 0.00 -1.26 -4.99 105.19 104.30 1huj n GLY 75 Ca -0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1huj n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1huj s LYS 76 N -0.18 3.60 0.46 1.61 -2.85 -1.13 -5.00 119.74 116.25 1huj s LYS 76 Ca 0.00 -0.15 -0.22 0.00 -1.00 0.00 0.00 55.97 54.60 1huj s LYS 76 Cb 0.00 -3.24 -0.11 0.00 -2.06 0.00 0.00 37.83 32.42 1huj s LYS 76 CO 0.00 0.67 0.61 1.28 0.10 0.00 0.00 175.35 178.02 1huj n LEU 77 N 2.33 0.58 -4.43 2.77 4.77 -1.26 0.26 117.00 122.02 1huj n LEU 77 Ca -0.19 0.89 -0.35 0.00 -0.03 0.00 0.00 56.01 56.33 1huj n LEU 77 Cb 0.54 -1.17 -0.13 0.00 -2.33 0.00 0.00 43.42 40.34 1huj n LEU 77 CO 0.32 -2.71 -0.34 -0.60 -1.33 0.00 0.00 177.39 172.74 1huj s ARG 78 N -1.77 3.59 -0.02 3.23 3.52 0.63 -4.69 118.95 123.44 1huj s ARG 78 Ca 0.65 -0.53 0.08 0.00 -0.13 0.00 0.00 55.73 55.79 1huj s ARG 78 Cb -0.56 -3.06 -0.02 0.00 -1.56 0.00 0.00 34.95 29.76 1huj s ARG 78 CO 0.57 0.00 -0.25 -0.06 -0.81 0.00 0.00 175.30 174.76 1huj s PHE 79 N 1.01 2.22 0.21 5.12 0.40 -1.26 -0.64 117.98 125.04 1huj s PHE 79 Ca 0.02 -0.42 -0.30 0.00 -0.60 0.00 0.00 56.93 55.63 1huj s PHE 79 Cb -0.14 -1.42 -0.08 0.00 0.51 0.00 0.00 43.02 41.88 1huj s PHE 79 CO 0.01 -0.03 1.16 0.08 0.70 0.00 0.00 175.22 177.14 1huj s VAL 80 N -0.59 3.57 0.55 -0.44 1.01 0.16 -4.91 120.40 119.75 1huj s VAL 80 Ca 0.10 1.40 -0.08 0.00 0.00 0.00 0.00 61.98 63.39 1huj s VAL 80 Cb -0.10 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1huj s VAL 80 CO -0.01 0.26 0.91 -0.13 0.00 0.00 0.00 175.10 176.14 1huj s ARG 81 N -0.65 3.58 -0.28 2.72 1.81 -1.26 -4.70 118.95 120.17 1huj s ARG 81 Ca 0.50 0.49 -0.28 0.00 -1.72 0.00 0.00 55.73 54.72 1huj s ARG 81 Cb -0.32 -2.22 0.01 0.00 -0.45 0.00 0.00 34.95 31.97 1huj s ARG 81 CO 0.38 -0.39 0.99 -0.80 -0.68 0.00 0.00 175.30 174.80 1huj s ASN 82 N -4.13 6.93 -0.41 0.23 0.01 -1.25 -4.62 114.94 111.71 1huj s ASN 82 Ca 0.51 1.09 -0.08 0.00 -0.71 0.00 0.00 52.86 53.68 1huj s ASN 82 Cb -0.11 -2.51 0.08 0.00 0.41 0.00 0.00 41.25 39.12 1huj s ASN 82 CO 0.49 -0.73 0.23 0.00 -1.51 0.00 0.00 177.10 175.59 1huj n PHE 84 N 4.87 0.99 -0.09 0.00 7.35 0.44 0.10 117.46 131.12 1huj n PHE 84 Ca -0.10 0.76 -0.01 0.00 -0.76 0.00 0.00 57.45 57.35 1huj n PHE 84 Cb 0.43 -2.21 0.19 0.00 0.35 0.00 0.00 39.48 38.23 1huj n PHE 84 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1huj n PRO 85 N 1.55 2.75 -3.98 -7.13 -0.04 -1.26 -4.93 135.00 121.95 1huj n PRO 85 Ca 0.15 -1.71 -0.29 0.00 -0.04 0.00 0.00 63.50 61.62 1huj n PRO 85 Cb 0.23 -1.85 -0.04 0.00 -0.04 0.00 0.00 33.50 31.80 1huj n PRO 85 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1huj s HIS 86 N -1.92 3.38 -0.25 0.54 3.76 0.11 -5.09 115.29 115.82 1huj s HIS 86 Ca 0.30 0.13 -0.00 0.00 -0.15 0.00 0.00 55.06 55.34 1huj s HIS 86 Cb 0.24 -1.66 0.04 0.00 1.11 0.00 0.00 32.58 32.30 1huj s HIS 86 CO 0.08 0.54 -0.08 -1.58 -0.85 0.00 0.00 174.74 172.85 1huj s HIS 87 N -1.59 3.12 0.00 1.40 2.46 -1.26 -3.51 115.29 115.91 1huj s HIS 87 Ca 0.33 -1.82 0.00 0.00 0.47 0.00 0.00 55.06 54.03 1huj s HIS 87 Cb -0.12 -2.02 0.00 0.00 -0.13 0.00 0.00 32.58 30.31 1huj s HIS 87 CO 0.26 -0.79 0.00 0.41 -2.47 0.00 0.00 174.74 172.15 1huj n GLY 88 N 4.59 1.65 3.75 1.59 0.00 -1.26 -3.99 105.19 111.51 1huj n GLY 88 Ca -0.16 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1huj n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1huj s TYR 89 N 0.00 3.55 -1.21 1.61 1.51 -0.31 -4.83 117.35 117.67 1huj s TYR 89 Ca 0.00 1.60 0.18 0.00 -1.01 0.00 0.00 57.07 57.84 1huj s TYR 89 Cb 0.00 -3.32 0.71 0.00 -0.11 0.00 0.00 41.96 39.24 1huj s TYR 89 CO 0.00 -0.73 1.61 0.44 -1.11 0.00 0.00 175.55 175.76 1huj n ILE 90 N 1.95 1.74 -4.02 2.71 -5.35 -1.26 0.91 119.36 116.03 1huj n ILE 90 Ca 0.02 -1.14 -0.08 0.00 -0.27 0.00 0.00 62.75 61.28 1huj n ILE 90 Cb 0.45 0.13 -0.10 0.00 -1.74 0.00 0.00 39.64 38.38 1huj n ILE 90 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1huj s HIS 91 N -1.80 0.37 -0.09 4.28 3.76 -1.26 -4.96 115.29 115.59 1huj s HIS 91 Ca 0.50 -0.76 -0.30 0.00 -0.15 0.00 0.00 55.06 54.35 1huj s HIS 91 Cb 0.32 -0.27 -0.04 0.00 1.11 0.00 0.00 32.58 33.69 1huj s HIS 91 CO 0.25 -0.29 1.57 -0.80 -0.85 0.00 0.00 174.74 174.61 1huj s ASN 92 N -2.17 6.71 -0.18 1.40 0.01 -1.14 -3.62 114.94 115.94 1huj s ASN 92 Ca -0.05 2.08 -0.05 0.00 -0.71 0.00 0.00 52.86 54.13 1huj s ASN 92 Cb -0.01 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.08 1huj s ASN 92 CO -0.05 -0.91 0.01 -0.47 -1.51 0.00 0.00 177.10 174.17 1huj s TYR 93 N 3.99 3.10 0.00 2.20 5.04 0.15 -1.39 117.35 130.45 1huj s TYR 93 Ca 0.69 -0.22 0.00 0.00 -2.44 0.00 0.00 57.07 55.10 1huj s TYR 93 Cb -0.30 -2.04 0.00 0.00 0.35 0.00 0.00 41.96 39.97 1huj s TYR 93 CO 0.26 -0.04 0.00 0.41 -1.34 0.00 0.00 175.55 174.84 1huj n GLY 94 N 3.77 3.63 3.04 8.97 0.00 -0.46 0.13 105.19 124.26 1huj n GLY 94 Ca -0.17 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 1huj n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1huj s ALA 95 N -1.18 0.09 -0.12 4.61 0.00 -0.75 -0.42 121.76 123.99 1huj s ALA 95 Ca 0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 51.96 51.12 1huj s ALA 95 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 1huj s ALA 95 CO 0.00 -0.22 0.65 -0.06 0.00 0.00 0.00 175.76 176.12 1huj s PHE 96 N -2.02 3.50 0.76 0.00 0.08 -0.45 -1.53 117.98 118.32 1huj s PHE 96 Ca -0.11 1.09 -0.13 0.00 0.12 0.00 0.00 56.93 57.91 1huj s PHE 96 Cb -0.05 -2.77 0.05 0.00 -0.57 0.00 0.00 43.02 39.68 1huj s PHE 96 CO -0.03 0.02 1.13 -1.25 -0.10 0.00 0.00 175.22 174.99 1huj s PRO 97 N 1.13 2.16 -1.24 0.24 0.04 -1.26 -3.92 135.00 132.15 1huj s PRO 97 Ca 0.33 1.44 -0.05 0.00 0.04 0.00 0.00 61.00 62.76 1huj s PRO 97 Cb -0.17 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1huj s PRO 97 CO 0.14 -1.76 1.07 1.04 0.04 0.00 0.00 177.00 177.53 1huj n GLN 98 N -3.14 -7.15 -4.01 4.56 6.02 0.58 -4.14 117.38 110.11 1huj n GLN 98 Ca 0.11 0.80 -0.08 0.00 -0.01 0.00 0.00 57.00 57.82 1huj n GLN 98 Cb 0.52 -5.73 -0.09 0.00 1.02 0.00 0.00 30.24 25.96 1huj n GLN 98 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1huj s THR 99 N -3.32 0.18 -0.19 5.09 -4.23 -1.25 -4.31 115.64 107.60 1huj s THR 99 Ca 0.35 -1.59 -0.09 0.00 -1.18 0.00 0.00 61.69 59.18 1huj s THR 99 Cb -0.15 -1.52 0.07 0.00 1.34 0.00 0.00 72.50 72.24 1huj s THR 99 CO 0.70 -0.80 0.45 0.86 -0.54 0.00 0.00 174.62 175.28 1huj s TRP 100 N -3.91 -0.72 -0.87 3.99 -0.00 -0.18 -3.93 118.94 113.32 1huj s TRP 100 Ca 0.08 1.46 -0.25 0.00 -0.00 0.00 0.00 56.10 57.39 1huj s TRP 100 Cb 0.07 0.33 0.04 0.00 -0.00 0.00 0.00 33.47 33.90 1huj s TRP 100 CO -0.09 -0.41 1.39 -1.21 -0.00 0.00 0.00 176.95 176.63 1huj s GLU 101 N 1.77 3.36 -0.18 5.86 0.41 0.52 -4.54 118.70 125.90 1huj s GLU 101 Ca -0.07 -0.64 -0.33 0.00 -0.41 0.00 0.00 54.97 53.51 1huj s GLU 101 Cb -0.09 -4.77 -0.10 0.00 -1.78 0.00 0.00 34.13 27.39 1huj s GLU 101 CO -0.14 -2.22 2.04 -3.47 -0.49 0.00 0.00 175.26 170.98 1huj n ASP 102 N 9.31 3.10 -0.03 -0.19 -0.08 -1.26 -1.55 116.55 125.85 1huj n ASP 102 Ca 0.18 0.66 0.13 0.00 -1.51 0.00 0.00 54.79 54.26 1huj n ASP 102 Cb 0.50 -1.39 0.49 0.00 2.34 0.00 0.00 41.12 43.07 1huj n ASP 102 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1huj n PRO 103 N 7.52 0.16 -0.00 -0.67 -0.04 -1.25 -0.42 135.00 140.30 1huj n PRO 103 Ca 0.29 -0.05 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 1huj n PRO 103 Cb 0.31 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.15 1huj n PRO 103 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1huj n ASN 104 N -1.37 0.62 -4.23 3.54 3.02 -1.26 -4.42 115.26 111.15 1huj n ASN 104 Ca 0.08 -0.58 -0.23 0.00 -0.03 0.00 0.00 54.58 53.81 1huj n ASN 104 Cb 0.32 1.32 -0.13 0.00 -0.61 0.00 0.00 39.78 40.68 1huj n ASN 104 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1huj s VAL 105 N -3.20 1.53 -0.04 2.41 0.11 -1.25 -5.09 120.40 114.87 1huj s VAL 105 Ca 0.02 -1.28 -0.26 0.00 -2.93 0.00 0.00 61.98 57.53 1huj s VAL 105 Cb 0.15 -1.37 -0.03 0.00 -1.53 0.00 0.00 36.38 33.60 1huj s VAL 105 CO 0.88 0.04 0.80 -0.55 -3.33 0.00 0.00 175.10 172.94 1huj s SER 106 N -1.45 7.12 -0.08 3.54 0.15 -1.26 -4.04 113.70 117.67 1huj s SER 106 Ca 0.05 1.35 -0.23 0.00 0.70 0.00 0.00 55.95 57.82 1huj s SER 106 Cb -0.09 -2.47 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 1huj s SER 106 CO 0.03 -0.16 0.67 -1.00 1.20 0.00 0.00 173.24 173.97 1huj s HIS 107 N 0.86 3.55 0.48 3.44 3.76 0.13 -4.85 115.29 122.67 1huj s HIS 107 Ca 0.42 1.19 0.24 0.00 -0.15 0.00 0.00 55.06 56.77 1huj s HIS 107 Cb -0.19 -2.78 1.43 0.00 1.11 0.00 0.00 32.58 32.15 1huj s HIS 107 CO 0.21 0.08 2.11 -1.00 -0.85 0.00 0.00 174.74 175.29 1huj h PRO 108 N 6.81 0.00 0.00 8.40 0.13 -1.96 0.22 132.00 145.60 1huj h PRO 108 Ca -0.40 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.59 1huj h PRO 108 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1huj h PRO 108 CO 0.76 0.10 -0.67 0.93 -0.23 0.00 0.00 178.00 178.88 1huj h GLU 109 N 0.00 0.00 0.00 0.86 3.07 -1.96 -3.36 114.58 113.19 1huj h GLU 109 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1huj h GLU 109 Cb 0.22 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1huj h GLU 109 CO 0.01 0.67 -1.03 0.25 -1.40 0.00 0.00 179.01 177.52 1huj n THR 110 N -3.43 0.00 -3.52 1.13 -2.24 -1.14 -4.87 114.28 100.22 1huj n THR 110 Ca 0.00 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.55 1huj n THR 110 Cb 0.74 0.45 0.08 0.00 -2.10 0.00 0.00 70.33 69.50 1huj n THR 110 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1huj n LYS 111 N -1.53 -7.41 -3.82 -0.78 4.01 0.77 -5.00 118.16 104.39 1huj n LYS 111 Ca -0.00 0.80 -0.10 0.00 -0.51 0.00 0.00 58.31 58.50 1huj n LYS 111 Cb 0.03 -5.75 -0.07 0.00 -0.51 0.00 0.00 35.03 28.73 1huj n LYS 111 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1huj s ALA 112 N -3.31 -0.40 0.70 7.82 0.00 -1.21 -4.83 121.76 120.53 1huj s ALA 112 Ca 0.45 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.92 1huj s ALA 112 Cb -0.20 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1huj s ALA 112 CO 0.70 -0.47 1.07 0.14 0.00 0.00 0.00 175.76 177.20 1huj s VAL 113 N -3.29 3.88 0.74 0.00 -7.23 -1.26 0.22 120.40 113.46 1huj s VAL 113 Ca 0.00 0.64 -0.11 0.00 -1.81 0.00 0.00 61.98 60.70 1huj s VAL 113 Cb 0.02 -3.32 0.04 0.00 0.56 0.00 0.00 36.38 33.68 1huj s VAL 113 CO -0.08 -0.77 1.10 -0.83 -0.31 0.00 0.00 175.10 174.21 1huj s GLY 114 N -3.60 1.63 0.00 2.32 0.00 0.44 -0.10 107.32 108.01 1huj s GLY 114 Ca 0.59 -0.29 0.20 0.00 0.00 0.00 0.00 44.72 45.23 1huj s GLY 114 CO 0.53 0.10 1.67 2.09 0.00 0.00 0.00 173.10 177.49 1huj n ASP 115 N -3.17 0.70 -0.20 1.64 5.75 -1.09 -3.93 116.55 116.24 1huj n ASP 115 Ca 0.07 -1.52 -0.03 0.00 -0.01 0.00 0.00 54.79 53.30 1huj n ASP 115 Cb 0.57 -0.04 -0.01 0.00 -1.03 0.00 0.00 41.12 40.61 1huj n ASP 115 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1huj n ASN 116 N -0.33 -3.21 -4.50 -1.12 4.05 -0.60 -5.01 115.26 104.54 1huj n ASN 116 Ca 0.15 0.06 -0.24 0.00 0.45 0.00 0.00 54.58 55.00 1huj n ASN 116 Cb 0.18 -1.04 -0.10 0.00 1.23 0.00 0.00 39.78 40.04 1huj n ASN 116 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1huj s ASP 117 N -2.97 3.24 0.98 1.20 1.01 -1.26 -4.79 116.67 114.10 1huj s ASP 117 Ca 0.00 -1.23 -0.15 0.00 0.71 0.00 0.00 52.55 51.88 1huj s ASP 117 Cb 0.00 -0.26 -0.03 0.00 1.01 0.00 0.00 42.92 43.64 1huj s ASP 117 CO 0.00 -0.32 -0.12 -2.65 0.21 0.00 0.00 175.17 172.30 1huj n PRO 118 N -0.72 -0.30 -2.75 8.23 -0.02 -1.25 -0.35 135.00 137.84 1huj n PRO 118 Ca -0.05 -0.06 -0.41 0.00 -2.02 0.00 0.00 63.50 60.96 1huj n PRO 118 Cb 0.64 -1.52 -0.05 0.00 -0.02 0.00 0.00 33.50 32.55 1huj n PRO 118 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1huj s ILE 119 N -2.23 4.38 0.36 4.25 2.07 -1.26 -4.65 121.20 124.10 1huj s ILE 119 Ca 0.50 2.06 -0.11 0.00 -1.41 0.00 0.00 60.65 61.69 1huj s ILE 119 Cb -0.18 -4.32 -0.07 0.00 0.13 0.00 0.00 42.46 38.02 1huj s ILE 119 CO 0.72 0.38 0.72 -1.81 -1.91 0.00 0.00 174.94 173.04 1huj s ASP 120 N -0.38 6.60 -0.03 4.50 1.01 -1.24 -1.35 116.67 125.78 1huj s ASP 120 Ca 0.45 1.12 0.01 0.00 0.71 0.00 0.00 52.55 54.84 1huj s ASP 120 Cb -0.24 -2.31 0.02 0.00 1.01 0.00 0.00 42.92 41.40 1huj s ASP 120 CO 0.30 -0.30 -0.03 -0.69 0.21 0.00 0.00 175.17 174.66 1huj s VAL 121 N -2.19 0.39 -0.37 -1.27 1.01 0.44 -0.73 120.40 117.68 1huj s VAL 121 Ca 0.51 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.35 1huj s VAL 121 Cb -0.10 -0.43 0.04 0.00 0.00 0.00 0.00 36.38 35.89 1huj s VAL 121 CO 0.26 0.18 0.18 -0.76 0.00 0.00 0.00 175.10 174.96 1huj s LEU 122 N 0.84 4.66 -0.28 3.92 1.43 0.14 -1.36 118.68 128.03 1huj s LEU 122 Ca -0.10 -1.18 -0.14 0.00 -1.03 0.00 0.00 54.13 51.68 1huj s LEU 122 Cb -0.13 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1huj s LEU 122 CO -0.00 -0.40 0.33 -0.70 0.23 0.00 0.00 176.35 175.81 1huj s GLU 123 N 1.46 3.95 0.00 1.70 -6.30 -0.49 -0.32 118.70 118.70 1huj s GLU 123 Ca 0.01 -0.09 0.23 0.00 -2.50 0.00 0.00 54.97 52.62 1huj s GLU 123 Cb -0.20 -3.68 0.47 0.00 0.00 0.00 0.00 34.13 30.72 1huj s GLU 123 CO 0.04 -0.29 1.42 0.44 0.02 0.00 0.00 175.26 176.89 1huj n ILE 124 N 5.12 0.33 -0.64 -3.70 -5.35 -0.10 -2.88 119.36 112.13 1huj n ILE 124 Ca -0.10 -0.60 -0.30 0.00 -0.27 0.00 0.00 62.75 61.49 1huj n ILE 124 Cb 0.51 0.94 0.26 0.00 -1.74 0.00 0.00 39.64 39.61 1huj n ILE 124 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1huj s GLY 125 N -1.62 1.49 0.11 3.28 0.00 -1.26 -4.96 107.32 104.35 1huj s GLY 125 Ca 0.35 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.41 1huj s GLY 125 CO 0.30 0.21 1.23 1.05 0.00 0.00 0.00 173.10 175.90 1huj h GLU 126 N -2.95 0.14 -6.22 2.90 4.11 -1.99 -3.45 114.58 107.12 1huj h GLU 126 Ca -0.49 -0.22 -0.55 0.00 0.07 0.00 0.00 59.36 58.17 1huj h GLU 126 Cb 1.33 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 1huj h GLU 126 CO 0.37 1.09 0.13 0.99 0.07 0.00 0.00 179.01 181.66 1huj s THR 127 N -2.74 4.83 0.10 -1.06 2.01 -1.26 -5.02 115.64 112.49 1huj s THR 127 Ca -0.02 1.57 -0.31 0.00 0.31 0.00 0.00 61.69 63.24 1huj s THR 127 Cb 0.09 -4.09 -0.07 0.00 0.01 0.00 0.00 72.50 68.44 1huj s THR 127 CO 0.85 0.34 1.29 -0.63 -0.69 0.00 0.00 174.62 175.78 1huj s ILE 128 N 0.17 3.64 0.76 1.82 1.01 -1.26 -4.98 121.20 122.36 1huj s ILE 128 Ca 0.38 1.19 -0.03 0.00 0.00 0.00 0.00 60.65 62.19 1huj s ILE 128 Cb -0.20 -3.76 0.15 0.00 0.01 0.00 0.00 42.46 38.67 1huj s ILE 128 CO 0.21 0.10 1.03 0.00 0.00 0.00 0.00 174.94 176.29 1huj n ALA 129 N 3.85 -0.09 -2.34 9.38 0.00 -1.26 -5.01 120.51 125.04 1huj n ALA 129 Ca 0.10 -1.88 -0.17 0.00 0.00 0.00 0.00 53.44 51.49 1huj n ALA 129 Cb 0.44 0.25 -0.10 0.00 0.00 0.00 0.00 19.45 20.04 1huj n ALA 129 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1huj s TYR 130 N -3.16 1.52 0.14 0.00 1.13 -1.26 -4.49 117.35 111.23 1huj s TYR 130 Ca 0.66 -0.63 -0.31 0.00 -1.41 0.00 0.00 57.07 55.38 1huj s TYR 130 Cb -0.03 -0.74 -0.09 0.00 -1.10 0.00 0.00 41.96 40.00 1huj s TYR 130 CO 0.45 0.24 1.48 0.99 -2.51 0.00 0.00 175.55 176.19 1huj s THR 131 N -2.94 2.95 0.00 -3.49 2.01 -1.26 -2.28 115.64 110.62 1huj s THR 131 Ca 0.18 0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.87 1huj s THR 131 Cb -0.00 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 69.07 1huj s THR 131 CO 0.04 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 1huj n GLY 132 N 3.62 0.54 3.72 4.40 0.00 -0.67 -5.02 105.19 111.77 1huj n GLY 132 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1huj n GLY 132 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1huj s GLN 133 N -0.83 4.30 -0.32 1.61 0.74 -0.97 -4.80 119.66 119.40 1huj s GLN 133 Ca 0.00 2.17 -0.13 0.00 0.05 0.00 0.00 55.36 57.45 1huj s GLN 133 Cb 0.00 -3.20 -0.03 0.00 1.10 0.00 0.00 33.01 30.88 1huj s GLN 133 CO 0.00 -0.46 0.24 0.08 -0.55 0.00 0.00 175.29 174.60 1huj s VAL 134 N 0.90 5.28 0.38 1.34 1.01 -1.25 -0.25 120.40 127.80 1huj s VAL 134 Ca 0.65 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.68 1huj s VAL 134 Cb -0.39 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 1huj s VAL 134 CO 0.33 0.08 -0.01 -1.59 0.00 0.00 0.00 175.10 173.91 1huj s LYS 135 N 1.78 1.86 -0.24 2.72 -2.85 0.21 -4.92 119.74 118.30 1huj s LYS 135 Ca 0.07 -2.03 -0.08 0.00 -1.00 0.00 0.00 55.97 52.94 1huj s LYS 135 Cb -0.17 -1.51 -0.03 0.00 -2.06 0.00 0.00 37.83 34.06 1huj s LYS 135 CO 0.11 -0.03 0.08 -0.65 0.10 0.00 0.00 175.35 174.97 1huj s GLN 136 N -3.72 3.75 0.10 1.78 1.11 -1.26 0.06 119.66 121.49 1huj s GLN 136 Ca 0.34 -0.43 0.05 0.00 0.01 0.00 0.00 55.36 55.33 1huj s GLN 136 Cb 0.08 -3.35 -0.03 0.00 -1.01 0.00 0.00 33.01 28.69 1huj s GLN 136 CO 0.17 -0.11 -0.14 0.14 0.01 0.00 0.00 175.29 175.37 1huj s VAL 137 N 1.42 1.22 0.05 1.09 -7.23 -0.91 -0.13 120.40 115.91 1huj s VAL 137 Ca 0.06 -1.59 0.07 0.00 -1.81 0.00 0.00 61.98 58.71 1huj s VAL 137 Cb -0.15 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 1huj s VAL 137 CO 0.04 -0.37 -0.15 -1.59 -0.31 0.00 0.00 175.10 172.72 1huj s LYS 138 N -2.41 2.14 0.02 4.82 -2.85 -0.83 -0.80 119.74 119.82 1huj s LYS 138 Ca 0.05 -0.96 -0.26 0.00 -1.00 0.00 0.00 55.97 53.81 1huj s LYS 138 Cb -0.06 -2.26 -0.05 0.00 -2.06 0.00 0.00 37.83 33.40 1huj s LYS 138 CO 0.02 0.54 0.79 0.00 0.10 0.00 0.00 175.35 176.81 1huj s ALA 139 N -1.00 3.32 -0.12 0.59 0.00 -1.26 -2.17 121.76 121.12 1huj s ALA 139 Ca 0.16 0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.51 1huj s ALA 139 Cb -0.11 -3.05 -0.13 0.00 0.00 0.00 0.00 23.12 19.83 1huj s ALA 139 CO 0.07 -0.02 0.01 1.28 0.00 0.00 0.00 175.76 177.10 1huj n LEU 140 N 3.19 0.57 0.00 0.00 4.77 0.44 -4.81 117.00 121.17 1huj n LEU 140 Ca -0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1huj n LEU 140 Cb 0.50 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1huj n LEU 140 CO 0.48 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1huj n GLY 141 N 2.39 -1.24 3.61 -0.72 0.00 -1.17 -1.97 105.19 106.09 1huj n GLY 141 Ca -0.20 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 1huj n GLY 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1huj s ILE 142 N -2.90 -0.00 -0.07 -0.61 2.07 0.23 -1.30 121.20 118.62 1huj s ILE 142 Ca 0.00 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 1huj s ILE 142 Cb 0.00 -0.98 -0.02 0.00 0.13 0.00 0.00 42.46 41.60 1huj s ILE 142 CO 0.00 0.00 -0.20 -0.04 -1.91 0.00 0.00 174.94 172.79 1huj s MET 143 N 0.37 2.68 -1.25 3.50 -1.94 -0.02 -0.19 119.30 122.45 1huj s MET 143 Ca -0.00 -0.81 -0.11 0.00 -1.71 0.00 0.00 55.69 53.06 1huj s MET 143 Cb -0.05 -2.30 0.17 0.00 2.01 0.00 0.00 34.83 34.66 1huj s MET 143 CO 0.01 0.42 1.70 0.00 -0.01 0.00 0.00 175.02 177.14 1huj n ALA 144 N 2.87 4.77 -2.38 3.03 0.00 -1.26 -0.80 120.51 126.73 1huj n ALA 144 Ca -0.17 -4.29 -0.42 0.00 0.00 0.00 0.00 53.44 48.56 1huj n ALA 144 Cb 0.52 -3.01 -0.04 0.00 0.00 0.00 0.00 19.45 16.92 1huj n ALA 144 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1huj s LEU 145 N 0.55 4.43 -0.55 0.00 2.96 -1.25 -1.22 118.68 123.60 1huj s LEU 145 Ca 0.41 1.89 -0.18 0.00 -0.22 0.00 0.00 54.13 56.03 1huj s LEU 145 Cb 0.05 -3.58 0.10 0.00 0.50 0.00 0.00 46.19 43.25 1huj s LEU 145 CO 0.00 -0.27 0.59 -0.76 -1.32 0.00 0.00 176.35 174.60 1huj s LEU 146 N 0.48 5.55 -0.34 -0.68 2.01 0.80 0.41 118.68 126.90 1huj s LEU 146 Ca 0.52 -1.42 -0.12 0.00 0.01 0.00 0.00 54.13 53.13 1huj s LEU 146 Cb -0.26 -2.29 -0.01 0.00 0.01 0.00 0.00 46.19 43.65 1huj s LEU 146 CO 0.30 -0.94 0.22 -0.62 1.01 0.00 0.00 176.35 176.32 1huj s ASP 147 N 3.31 5.89 -1.60 2.29 -1.08 -0.69 -2.56 116.67 122.23 1huj s ASP 147 Ca 0.09 -0.55 -0.09 0.00 -0.52 0.00 0.00 52.55 51.48 1huj s ASP 147 Cb -0.25 -2.09 0.08 0.00 -1.46 0.00 0.00 42.92 39.20 1huj s ASP 147 CO 0.06 -0.26 0.44 -0.62 0.52 0.00 0.00 175.17 175.32 1huj n GLU 148 N 5.07 -2.25 -1.00 4.34 1.02 -1.26 -2.04 120.64 124.51 1huj n GLU 148 Ca -0.13 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1huj n GLU 148 Cb 0.49 -4.47 0.00 0.00 -0.02 0.00 0.00 31.44 27.44 1huj n GLU 148 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1huj n GLY 149 N -1.84 0.48 3.46 0.62 0.00 -1.26 -5.02 105.19 101.63 1huj n GLY 149 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1huj n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1huj s GLU 150 N -0.08 2.27 0.12 1.61 2.02 -0.87 -4.60 118.70 119.18 1huj s GLU 150 Ca 0.00 -0.85 -0.31 0.00 0.02 0.00 0.00 54.97 53.83 1huj s GLU 150 Cb 0.00 -2.26 -0.10 0.00 0.10 0.00 0.00 34.13 31.87 1huj s GLU 150 CO 0.00 0.58 1.70 0.99 0.02 0.00 0.00 175.26 178.55 1huj s THR 151 N -0.82 2.69 -0.39 3.63 2.01 0.86 -1.70 115.64 121.93 1huj s THR 151 Ca 0.13 0.29 0.11 0.00 0.31 0.00 0.00 61.69 62.53 1huj s THR 151 Cb -0.11 -3.19 0.37 0.00 0.01 0.00 0.00 72.50 69.59 1huj s THR 151 CO 0.03 0.01 0.96 -0.67 -0.69 0.00 0.00 174.62 174.25 1huj n ASP 152 N 5.17 -0.25 -4.48 3.53 -0.08 0.16 -2.67 116.55 117.93 1huj n ASP 152 Ca 0.16 -3.06 -0.42 0.00 -1.51 0.00 0.00 54.79 49.96 1huj n ASP 152 Cb 0.39 0.29 0.01 0.00 2.34 0.00 0.00 41.12 44.15 1huj n ASP 152 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 1huj n TRP 153 N 0.12 -0.20 -3.98 -0.67 7.02 -1.25 -3.83 117.44 114.64 1huj n TRP 153 Ca 0.13 0.59 -0.31 0.00 -1.02 0.00 0.00 57.50 56.90 1huj n TRP 153 Cb 0.73 -2.03 -0.15 0.00 -2.42 0.00 0.00 31.31 27.43 1huj n TRP 153 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1huj s LYS 154 N -1.68 1.81 0.11 -0.99 -0.14 0.02 -3.73 119.74 115.14 1huj s LYS 154 Ca 0.64 -1.16 -0.30 0.00 -1.36 0.00 0.00 55.97 53.79 1huj s LYS 154 Cb -0.59 -2.71 -0.06 0.00 -1.68 0.00 0.00 37.83 32.78 1huj s LYS 154 CO 0.58 -0.61 1.13 0.08 -0.76 0.00 0.00 175.35 175.76 1huj s VAL 155 N 1.28 4.03 -0.29 3.17 1.01 0.09 -0.84 120.40 128.85 1huj s VAL 155 Ca -0.06 1.59 -0.13 0.00 0.00 0.00 0.00 61.98 63.38 1huj s VAL 155 Cb -0.19 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1huj s VAL 155 CO -0.06 0.20 0.30 -0.63 0.00 0.00 0.00 175.10 174.91 1huj s ILE 156 N 0.40 5.23 0.17 2.22 -1.09 -0.42 0.24 121.20 127.95 1huj s ILE 156 Ca 0.53 0.30 0.03 0.00 -2.23 0.00 0.00 60.65 59.28 1huj s ILE 156 Cb -0.29 -3.66 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 1huj s ILE 156 CO 0.32 0.14 -0.04 0.00 -1.23 0.00 0.00 174.94 174.13 1huj s ALA 157 N 1.93 1.47 -0.04 9.38 0.00 0.56 -0.42 121.76 134.66 1huj s ALA 157 Ca 0.11 -1.58 0.01 0.00 0.00 0.00 0.00 51.96 50.50 1huj s ALA 157 Cb -0.16 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.30 1huj s ALA 157 CO 0.11 -0.21 -0.03 -1.50 0.00 0.00 0.00 175.76 174.12 1huj s ILE 158 N -3.48 0.43 0.06 0.00 2.07 -0.92 -0.93 121.20 118.43 1huj s ILE 158 Ca 0.21 -0.08 -0.35 0.00 -1.41 0.00 0.00 60.65 59.02 1huj s ILE 158 Cb 0.05 -0.47 -0.15 0.00 0.13 0.00 0.00 42.46 42.02 1huj s ILE 158 CO 0.03 0.19 1.56 -0.67 -1.91 0.00 0.00 174.94 174.15 1huj n ASP 159 N 3.94 2.60 0.01 4.50 -0.08 -1.26 -1.97 116.55 124.29 1huj n ASP 159 Ca -0.25 1.08 0.22 0.00 -1.51 0.00 0.00 54.79 54.33 1huj n ASP 159 Cb 0.51 -1.31 0.73 0.00 2.34 0.00 0.00 41.12 43.39 1huj n ASP 159 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1huj h ILE 160 N 3.95 0.48 -0.02 5.18 5.03 -0.87 -0.31 117.51 130.96 1huj h ILE 160 Ca -0.46 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.28 1huj h ILE 160 Cb 1.29 0.64 0.00 0.00 -3.03 0.00 0.00 36.82 35.72 1huj h ILE 160 CO 0.87 0.00 -0.01 0.59 -0.68 0.00 0.00 178.15 178.92 1huj n ASN 161 N -3.96 2.02 -4.74 1.72 3.02 -1.26 -4.78 115.26 107.28 1huj n ASN 161 Ca 0.10 -1.67 -0.41 0.00 -0.03 0.00 0.00 54.58 52.57 1huj n ASN 161 Cb 0.70 0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.85 1huj n ASN 161 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1huj s ASP 162 N -2.01 6.57 0.49 6.41 2.15 -0.13 -4.89 116.67 125.27 1huj s ASP 162 Ca 0.34 2.74 0.34 0.00 0.43 0.00 0.00 52.55 56.40 1huj s ASP 162 Cb 0.21 -2.62 1.46 0.00 -0.30 0.00 0.00 42.92 41.67 1huj s ASP 162 CO 0.33 -0.78 1.72 -0.65 -0.17 0.00 0.00 175.17 175.62 1huj h PRO 163 N 5.24 0.10 0.00 4.34 0.11 -1.90 0.88 132.00 140.77 1huj h PRO 163 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1huj h PRO 163 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1huj h PRO 163 CO 0.80 0.07 -0.45 1.28 -0.21 0.00 0.00 178.00 179.49 1huj n LEU 164 N -4.35 0.53 -0.32 2.35 4.77 -1.26 -4.48 117.00 114.24 1huj n LEU 164 Ca 0.32 0.20 0.12 0.00 -0.03 0.00 0.00 56.01 56.62 1huj n LEU 164 Cb 1.35 -0.26 0.30 0.00 -2.33 0.00 0.00 43.42 42.48 1huj n LEU 164 CO 0.34 0.02 1.10 0.00 -1.33 0.00 0.00 177.39 177.51 1huj h ALA 165 N 2.78 1.48 -0.03 -1.18 0.00 -1.08 0.16 119.26 121.40 1huj h ALA 165 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1huj h ALA 165 Cb 0.61 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1huj h ALA 165 CO 0.00 -0.23 0.02 -1.35 0.00 0.00 0.00 179.25 177.69 1huj h PRO 166 N 0.53 0.00 0.00 0.00 0.11 -1.79 -2.61 132.00 128.24 1huj h PRO 166 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1huj h PRO 166 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1huj h PRO 166 CO -0.46 0.00 -0.71 1.63 -0.21 0.00 0.00 178.00 178.25 1huj n LYS 167 N -4.51 0.26 -3.51 1.05 5.02 0.55 -4.75 118.16 112.27 1huj n LYS 167 Ca -0.02 0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.90 1huj n LYS 167 Cb 0.12 -1.64 -0.08 0.00 -0.02 0.00 0.00 35.03 33.40 1huj n LYS 167 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1huj s LEU 168 N -4.03 5.55 0.00 -0.35 2.01 -0.98 -4.88 118.68 115.99 1huj s LEU 168 Ca 0.06 -1.64 0.00 0.00 0.01 0.00 0.00 54.13 52.56 1huj s LEU 168 Cb 0.14 -2.06 0.00 0.00 0.01 0.00 0.00 46.19 44.28 1huj s LEU 168 CO 0.74 -0.65 0.12 0.59 1.01 0.00 0.00 176.35 178.16 1huj n ASN 169 N 5.01 0.25 -3.47 2.29 3.02 -1.26 -4.91 115.26 116.19 1huj n ASN 169 Ca -0.10 -0.60 -0.08 0.00 -0.03 0.00 0.00 54.58 53.77 1huj n ASN 169 Cb 0.42 0.63 -0.00 0.00 -0.61 0.00 0.00 39.78 40.21 1huj n ASN 169 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1huj s ASP 170 N -0.63 -0.12 0.52 6.41 -1.08 -1.26 -4.88 116.67 115.63 1huj s ASP 170 Ca 0.00 -0.86 0.26 0.00 -0.52 0.00 0.00 52.55 51.43 1huj s ASP 170 Cb 0.00 0.77 1.43 0.00 -1.46 0.00 0.00 42.92 43.66 1huj s ASP 170 CO 0.00 -1.48 2.08 -0.29 0.52 0.00 0.00 175.17 175.99 1huj h ILE 171 N 2.01 0.63 0.00 4.11 6.09 -1.74 0.32 117.51 128.93 1huj h ILE 171 Ca -0.25 -0.50 -0.04 0.00 -1.37 0.00 0.00 64.86 62.70 1huj h ILE 171 Cb 1.25 1.31 -0.01 0.00 0.47 0.00 0.00 36.82 39.85 1huj h ILE 171 CO 0.31 0.12 -0.21 -0.33 -3.07 0.00 0.00 178.15 174.96 1huj h GLU 172 N 0.00 0.00 0.00 2.19 3.07 -1.97 -1.92 114.58 115.95 1huj h GLU 172 Ca -0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 1huj h GLU 172 Cb 0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1huj h GLU 172 CO 0.02 0.21 -0.41 -0.44 -1.40 0.00 0.00 179.01 176.99 1huj h ASP 173 N 0.00 0.00 -0.14 1.42 3.32 -1.29 -2.46 116.42 117.27 1huj h ASP 173 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1huj h ASP 173 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1huj h ASP 173 CO 0.03 0.41 -0.25 0.58 -1.72 0.00 0.00 179.24 178.29 1huj h VAL 174 N 0.00 1.37 -0.75 -1.35 2.07 -1.43 -1.01 116.25 115.14 1huj h VAL 174 Ca -0.00 -1.50 -0.05 0.00 0.82 0.00 0.00 66.70 65.97 1huj h VAL 174 Cb 0.88 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 1huj h VAL 174 CO 0.05 0.44 0.29 -0.08 0.02 0.00 0.00 177.57 178.29 1huj h GLU 175 N 0.01 1.13 -0.47 1.57 4.57 -1.61 0.68 114.58 120.46 1huj h GLU 175 Ca 0.01 -0.21 0.03 0.00 -1.18 0.00 0.00 59.36 58.01 1huj h GLU 175 Cb 0.83 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.20 1huj h GLU 175 CO 0.06 0.92 0.24 -0.22 -1.18 0.00 0.00 179.01 178.83 1huj h LYS 176 N 1.10 0.47 0.00 1.92 3.64 -1.23 -2.90 116.57 119.57 1huj h LYS 176 Ca 0.25 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1huj h LYS 176 Cb 0.23 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1huj h LYS 176 CO -0.02 0.31 -1.55 0.66 -2.27 0.00 0.00 179.45 176.58 1huj n TYR 177 N -4.88 0.00 -2.94 1.91 4.01 -0.40 -4.59 117.16 110.27 1huj n TYR 177 Ca 0.03 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.55 1huj n TYR 177 Cb 0.11 -0.30 -0.02 0.00 -0.31 0.00 0.00 39.34 38.81 1huj n TYR 177 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1huj n PHE 178 N -1.93 2.35 -1.68 -0.72 3.01 0.24 -5.06 117.46 113.66 1huj n PHE 178 Ca -0.02 -3.70 -0.48 0.00 1.01 0.00 0.00 57.45 54.27 1huj n PHE 178 Cb 0.40 -0.40 -0.05 0.00 -0.01 0.00 0.00 39.48 39.43 1huj n PHE 178 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1huj n PRO 179 N -0.08 2.14 -0.26 -1.08 -0.02 -1.10 -1.33 135.00 133.27 1huj n PRO 179 Ca 0.28 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1huj n PRO 179 Cb 0.56 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1huj n PRO 179 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1huj n GLY 180 N 3.97 1.07 0.24 -1.23 0.00 -1.26 -4.92 105.19 103.06 1huj n GLY 180 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 1huj n GLY 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1huj h LEU 181 N 0.00 0.85 -0.34 0.99 5.85 -1.55 -1.78 115.31 119.32 1huj h LEU 181 Ca 0.00 -0.44 -0.12 0.00 0.84 0.00 0.00 57.88 58.16 1huj h LEU 181 Cb 0.00 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1huj h LEU 181 CO 0.00 1.11 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.89 1huj h LEU 182 N 0.60 0.82 -0.41 2.25 3.38 -1.92 0.11 115.31 120.14 1huj h LEU 182 Ca 0.07 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.66 1huj h LEU 182 Cb 0.84 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1huj h LEU 182 CO 0.07 1.09 0.10 -0.09 0.09 0.00 0.00 178.44 179.70 1huj h ARG 183 N 0.56 0.23 -0.80 1.13 2.43 -1.96 -0.15 114.38 115.83 1huj h ARG 183 Ca 0.07 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1huj h ARG 183 Cb 0.82 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 1huj h ARG 183 CO 0.07 0.15 0.42 0.00 -1.51 0.00 0.00 179.97 179.10 1huj h ALA 184 N 1.30 1.24 -0.30 2.80 0.00 -0.72 -1.09 119.26 122.49 1huj h ALA 184 Ca 0.20 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1huj h ALA 184 Cb 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1huj h ALA 184 CO -0.24 0.61 -0.06 1.15 0.00 0.00 0.00 179.25 180.71 1huj h THR 185 N 1.12 1.28 -0.35 0.00 2.02 -0.32 0.29 112.91 116.94 1huj h THR 185 Ca 0.28 -1.07 0.04 0.00 0.77 0.00 0.00 66.41 66.43 1huj h THR 185 Cb 0.05 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 1huj h THR 185 CO -0.04 0.34 0.12 -1.13 0.37 0.00 0.00 175.52 175.18 1huj h ASN 186 N 0.34 0.13 0.04 4.18 -0.73 -0.87 -1.73 115.58 116.93 1huj h ASN 186 Ca 0.08 0.04 -0.00 0.00 1.87 0.00 0.00 56.30 58.28 1huj h ASN 186 Cb 0.53 0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.15 1huj h ASN 186 CO 0.03 0.11 -0.02 -0.08 -0.37 0.00 0.00 177.43 177.10 1huj h GLU 187 N 0.27 -0.05 -0.51 6.67 4.81 -1.09 -2.62 114.58 122.06 1huj h GLU 187 Ca 0.16 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.46 1huj h GLU 187 Cb 0.14 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 1huj h GLU 187 CO -0.17 -0.01 0.19 2.35 -0.73 0.00 0.00 179.01 180.65 1huj h TRP 188 N -0.07 0.34 0.00 0.92 7.01 0.30 -0.88 115.95 123.57 1huj h TRP 188 Ca -0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1huj h TRP 188 Cb 0.06 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.04 1huj h TRP 188 CO -0.07 0.12 -0.20 0.74 -2.79 0.00 0.00 178.44 176.25 1huj h PHE 189 N 0.38 0.00 -0.09 2.65 0.04 -1.38 0.13 116.94 118.68 1huj h PHE 189 Ca 0.24 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.00 1huj h PHE 189 Cb 0.25 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 1huj h PHE 189 CO -0.15 0.00 0.01 0.00 -0.60 0.00 0.00 178.31 177.57 1huj h ARG 190 N 0.00 0.14 0.00 1.51 3.08 -0.94 -3.39 114.38 114.78 1huj h ARG 190 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1huj h ARG 190 Cb 1.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1huj h ARG 190 CO 0.00 0.36 -1.44 0.44 -1.07 0.00 0.00 179.97 178.25 1huj n ILE 191 N -4.87 0.07 0.00 2.04 -5.35 -0.42 -1.47 119.36 109.36 1huj n ILE 191 Ca -0.06 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1huj n ILE 191 Cb 0.17 0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 1huj n ILE 191 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1huj n TYR 192 N -2.01 0.00 0.27 4.28 4.11 0.02 -1.09 117.16 122.75 1huj n TYR 192 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.90 57.93 1huj n TYR 192 Cb 0.47 -0.33 0.03 0.00 -0.00 0.00 0.00 39.34 39.51 1huj n TYR 192 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1huj n LYS 193 N -1.32 0.02 -0.02 -3.48 5.02 -1.26 -4.56 118.16 112.56 1huj n LYS 193 Ca 0.00 -0.87 -0.10 0.00 -2.02 0.00 0.00 58.31 55.32 1huj n LYS 193 Cb 0.03 -1.12 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 1huj n LYS 193 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1huj h ILE 194 N 1.24 1.01 -0.08 -0.18 1.08 -1.20 -2.18 117.51 117.21 1huj h ILE 194 Ca 0.00 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.43 1huj h ILE 194 Cb 0.27 0.82 -0.00 0.00 -3.07 0.00 0.00 36.82 34.84 1huj h ILE 194 CO 0.00 0.03 0.47 -0.65 -0.69 0.00 0.00 178.15 177.32 1huj h PRO 195 N 0.18 0.00 -0.21 2.37 0.11 -1.81 0.37 132.00 133.00 1huj h PRO 195 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1huj h PRO 195 Cb -0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1huj h PRO 195 CO -0.03 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.51 1huj n ASP 196 N -2.94 2.08 -0.10 -2.05 8.00 -0.85 -4.90 116.55 115.79 1huj n ASP 196 Ca 0.00 -1.78 -0.01 0.00 0.71 0.00 0.00 54.79 53.71 1huj n ASP 196 Cb 0.54 -0.14 -0.00 0.00 -0.02 0.00 0.00 41.12 41.50 1huj n ASP 196 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1huj n GLY 197 N 1.21 0.39 3.70 0.44 0.00 0.13 -5.06 105.19 106.01 1huj n GLY 197 Ca 0.17 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 1huj n GLY 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1huj s LYS 198 N -3.05 2.47 0.98 1.61 1.02 -1.00 -5.05 119.74 116.72 1huj s LYS 198 Ca 0.00 -1.33 -0.12 0.00 0.02 0.00 0.00 55.97 54.53 1huj s LYS 198 Cb 0.00 -2.27 0.18 0.00 -0.52 0.00 0.00 37.83 35.22 1huj s LYS 198 CO 0.00 0.36 1.10 -2.14 -0.92 0.00 0.00 175.35 173.74 1huj s PRO 199 N -3.73 0.55 0.24 -1.68 0.02 -1.26 -3.77 135.00 125.36 1huj s PRO 199 Ca 0.32 0.49 -0.30 0.00 0.02 0.00 0.00 61.00 61.54 1huj s PRO 199 Cb -0.07 -1.75 -0.09 0.00 0.02 0.00 0.00 34.50 32.61 1huj s PRO 199 CO 0.21 -2.65 1.30 -2.00 -0.33 0.00 0.00 177.00 173.53 1huj s GLU 200 N -5.01 4.40 1.05 5.54 2.12 -1.26 -4.52 118.70 121.02 1huj s GLU 200 Ca 0.65 2.08 -0.18 0.00 0.36 0.00 0.00 54.97 57.88 1huj s GLU 200 Cb -0.18 -3.16 0.24 0.00 0.26 0.00 0.00 34.13 31.29 1huj s GLU 200 CO 0.57 -0.21 1.28 -0.80 -0.54 0.00 0.00 175.26 175.56 1huj s ASN 201 N 0.06 2.30 0.07 -1.70 0.01 -0.55 -4.97 114.94 110.17 1huj s ASN 201 Ca 0.54 0.29 -0.00 0.00 -0.71 0.00 0.00 52.86 52.98 1huj s ASN 201 Cb -0.37 -0.32 -0.04 0.00 0.41 0.00 0.00 41.25 40.93 1huj s ASN 201 CO 0.42 -3.24 -0.02 -1.10 -1.51 0.00 0.00 177.10 171.64 1huj s GLN 202 N -5.81 0.72 0.09 -0.60 -1.52 -1.06 -4.75 119.66 106.72 1huj s GLN 202 Ca 0.75 -1.28 0.08 0.00 -1.95 0.00 0.00 55.36 52.95 1huj s GLN 202 Cb -0.04 0.11 -0.03 0.00 -0.22 0.00 0.00 33.01 32.83 1huj s GLN 202 CO 0.54 -0.11 -0.22 -0.06 -0.25 0.00 0.00 175.29 175.19 1huj s PHE 203 N -3.87 1.86 0.80 0.91 0.40 -1.26 -0.14 117.98 116.68 1huj s PHE 203 Ca 0.11 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.92 1huj s PHE 203 Cb 0.07 -1.04 0.07 0.00 0.51 0.00 0.00 43.02 42.63 1huj s PHE 203 CO -0.07 0.19 1.13 0.00 0.70 0.00 0.00 175.22 177.17 1huj s ALA 204 N -1.05 2.45 -1.73 5.36 0.00 -0.36 -3.95 121.76 122.48 1huj s ALA 204 Ca 0.08 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1huj s ALA 204 Cb -0.10 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1huj s ALA 204 CO 0.04 -1.68 0.00 1.19 0.00 0.00 0.00 175.76 175.31 1huj n PHE 205 N -3.35 -0.70 -2.03 0.00 3.72 -1.26 -0.72 117.46 113.12 1huj n PHE 205 Ca 0.07 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.29 1huj n PHE 205 Cb 0.59 -3.44 -0.04 0.00 -0.94 0.00 0.00 39.48 35.65 1huj n PHE 205 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1huj n SER 206 N -1.58 -5.18 0.00 4.37 7.64 -1.25 -1.69 113.62 115.91 1huj n SER 206 Ca -0.20 0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1huj n SER 206 Cb 0.64 -4.46 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 1huj n SER 206 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1huj n GLY 207 N -0.69 0.51 3.73 0.23 0.00 0.10 -5.01 105.19 104.06 1huj n GLY 207 Ca -0.21 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1huj n GLY 207 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1huj n GLU 208 N -2.97 2.65 -2.41 1.61 2.13 -0.68 -4.93 120.64 116.04 1huj n GLU 208 Ca 0.00 0.95 -0.42 0.00 0.66 0.00 0.00 57.16 58.35 1huj n GLU 208 Cb 0.00 -2.75 -0.02 0.00 0.27 0.00 0.00 31.44 28.94 1huj n GLU 208 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1huj s ALA 209 N 0.50 2.95 0.65 4.31 0.00 -1.26 -4.57 121.76 124.34 1huj s ALA 209 Ca 0.69 -0.46 -0.16 0.00 0.00 0.00 0.00 51.96 52.04 1huj s ALA 209 Cb -0.52 -4.01 -0.00 0.00 0.00 0.00 0.00 23.12 18.58 1huj s ALA 209 CO 0.42 -2.63 1.13 0.15 0.00 0.00 0.00 175.76 174.83 1huj s LYS 210 N 5.12 2.79 0.60 0.00 -0.14 0.73 -4.80 119.74 124.04 1huj s LYS 210 Ca 0.55 1.48 -0.10 0.00 -1.36 0.00 0.00 55.97 56.54 1huj s LYS 210 Cb -0.11 -1.94 0.14 0.00 -1.68 0.00 0.00 37.83 34.24 1huj s LYS 210 CO 0.29 -1.28 0.77 0.27 -0.76 0.00 0.00 175.35 174.65 1huj n ASN 211 N -2.29 -0.17 0.09 2.83 0.23 -1.26 -0.60 115.26 114.09 1huj n ASN 211 Ca 0.11 -1.23 -0.13 0.00 -0.53 0.00 0.00 54.58 52.80 1huj n ASN 211 Cb 0.52 -0.60 -0.07 0.00 -2.08 0.00 0.00 39.78 37.54 1huj n ASN 211 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1huj h LYS 212 N 0.00 -0.14 -0.62 -3.83 3.64 -1.76 -0.10 116.57 113.76 1huj h LYS 212 Ca -0.25 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1huj h LYS 212 Cb 0.71 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.47 1huj h LYS 212 CO 0.18 -0.08 0.08 -0.22 -2.27 0.00 0.00 179.45 177.14 1huj h LYS 213 N -0.15 0.19 -0.27 1.90 3.64 -1.94 0.26 116.57 120.20 1huj h LYS 213 Ca -0.01 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1huj h LYS 213 Cb 0.12 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1huj h LYS 213 CO 0.02 0.13 -0.06 -0.92 -2.27 0.00 0.00 179.45 176.35 1huj h TYR 214 N 0.20 0.45 -0.16 1.91 5.03 -1.71 -0.69 116.97 122.00 1huj h TYR 214 Ca 0.33 -0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.56 1huj h TYR 214 Cb 0.52 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.67 1huj h TYR 214 CO -0.30 0.49 -0.04 0.00 -1.32 0.00 0.00 178.16 177.00 1huj h ALA 215 N 1.53 0.22 -0.91 1.82 0.00 0.82 -2.46 119.26 120.28 1huj h ALA 215 Ca 0.09 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1huj h ALA 215 Cb 0.37 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1huj h ALA 215 CO 0.02 -0.03 0.60 -0.07 0.00 0.00 0.00 179.25 179.77 1huj h LEU 216 N 0.01 1.00 -0.69 0.00 3.38 0.07 -0.35 115.31 118.73 1huj h LEU 216 Ca 0.04 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1huj h LEU 216 Cb 0.46 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1huj h LEU 216 CO 0.02 0.70 0.20 -0.78 0.09 0.00 0.00 178.44 178.67 1huj h ASP 217 N 1.17 1.02 0.23 -0.43 3.58 -1.03 -0.38 116.42 120.59 1huj h ASP 217 Ca 0.35 -0.22 -0.28 0.00 0.42 0.00 0.00 57.03 57.31 1huj h ASP 217 Cb -0.04 -0.27 0.02 0.00 1.72 0.00 0.00 39.33 40.76 1huj h ASP 217 CO -0.10 0.97 -1.17 0.40 -2.88 0.00 0.00 179.24 176.46 1huj h ILE 218 N 1.02 1.34 -0.51 2.25 1.08 -0.95 -2.47 117.51 119.27 1huj h ILE 218 Ca 0.22 -2.53 0.01 0.00 -0.39 0.00 0.00 64.86 62.18 1huj h ILE 218 Cb 0.33 2.65 -0.03 0.00 -3.07 0.00 0.00 36.82 36.70 1huj h ILE 218 CO -0.00 0.76 0.33 0.40 -0.69 0.00 0.00 178.15 178.94 1huj h ILE 219 N 0.25 1.11 -0.40 -0.67 2.04 -0.88 -1.29 117.51 117.67 1huj h ILE 219 Ca -0.15 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.56 1huj h ILE 219 Cb 1.84 0.39 -0.08 0.00 -0.74 0.00 0.00 36.82 38.23 1huj h ILE 219 CO 0.22 0.12 -0.14 0.50 0.00 0.00 0.00 178.15 178.85 1huj h LYS 220 N 0.66 -0.05 -0.48 2.37 3.64 -1.04 0.66 116.57 122.33 1huj h LYS 220 Ca 0.19 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.67 1huj h LYS 220 Cb -0.05 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.70 1huj h LYS 220 CO -0.06 -0.03 -0.02 1.49 -2.27 0.00 0.00 179.45 178.56 1huj h GLU 221 N -0.05 0.09 0.00 1.90 4.81 -0.88 -1.40 114.58 119.04 1huj h GLU 221 Ca 0.20 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 1huj h GLU 221 Cb 0.35 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1huj h GLU 221 CO -0.44 0.06 -0.61 1.79 -0.73 0.00 0.00 179.01 179.08 1huj h THR 222 N 0.09 1.41 -0.09 0.32 1.35 -0.66 -2.25 112.91 113.07 1huj h THR 222 Ca 0.24 -2.12 -0.01 0.00 -0.55 0.00 0.00 66.41 63.98 1huj h THR 222 Cb 0.37 2.15 -0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1huj h THR 222 CO -0.42 0.60 0.04 -0.74 -0.25 0.00 0.00 175.52 174.75 1huj h HIS 223 N 0.00 0.14 -0.41 4.73 -0.00 -0.21 -0.26 115.15 119.13 1huj h HIS 223 Ca -0.01 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 1huj h HIS 223 Cb 1.10 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 28.45 1huj h HIS 223 CO 0.00 0.24 0.15 -0.44 -0.00 0.00 0.00 177.93 177.89 1huj h ASP 224 N -0.00 0.53 -0.45 3.26 3.32 -1.08 0.86 116.42 122.85 1huj h ASP 224 Ca 0.03 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1huj h ASP 224 Cb 0.16 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1huj h ASP 224 CO -0.00 0.49 0.18 0.28 -1.72 0.00 0.00 179.24 178.47 1huj h SER 225 N 0.58 0.67 -0.11 6.45 0.02 -1.27 -2.43 113.55 117.46 1huj h SER 225 Ca 0.14 -0.09 -0.17 0.00 -0.84 0.00 0.00 61.79 60.84 1huj h SER 225 Cb 0.13 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1huj h SER 225 CO -0.01 0.62 -0.53 -0.25 -1.14 0.00 0.00 176.83 175.52 1huj h TRP 226 N 0.72 0.87 -0.63 3.45 7.01 -0.16 -1.83 115.95 125.38 1huj h TRP 226 Ca 0.17 -0.30 -0.04 0.00 2.11 0.00 0.00 58.89 60.83 1huj h TRP 226 Cb 0.18 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 1huj h TRP 226 CO 0.01 1.07 0.23 0.87 -2.79 0.00 0.00 178.44 177.83 1huj h LYS 227 N 0.54 0.94 -0.08 2.65 1.57 -0.92 0.34 116.57 121.61 1huj h LYS 227 Ca 0.02 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1huj h LYS 227 Cb 1.10 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 1huj h LYS 227 CO 0.11 0.79 0.01 1.96 -0.57 0.00 0.00 179.45 181.75 1huj h GLN 228 N 0.92 0.14 -0.43 3.15 1.08 -1.43 -1.83 115.11 116.72 1huj h GLN 228 Ca 0.21 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1huj h GLN 228 Cb 0.22 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1huj h GLN 228 CO -0.01 0.36 0.28 1.25 -0.95 0.00 0.00 178.83 179.75 1huj h LEU 229 N -0.10 0.49 -0.69 1.46 5.85 -0.81 0.10 115.31 121.62 1huj h LEU 229 Ca 0.03 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1huj h LEU 229 Cb 0.29 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1huj h LEU 229 CO 0.00 0.36 0.00 -0.29 -0.34 0.00 0.00 178.44 178.17 1huj h ILE 230 N 0.58 0.00 0.00 4.05 6.09 -0.38 -2.10 117.51 125.75 1huj h ILE 230 Ca 0.16 -0.70 0.00 0.00 -1.37 0.00 0.00 64.86 62.95 1huj h ILE 230 Cb -0.06 1.68 0.00 0.00 0.47 0.00 0.00 36.82 38.91 1huj h ILE 230 CO -0.03 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.05 1huj n ALA 231 N -2.05 2.13 -0.36 0.18 0.00 -0.69 -4.49 120.51 115.23 1huj n ALA 231 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1huj n ALA 231 Cb 0.40 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1huj n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1huj n GLY 232 N 1.00 0.82 0.94 0.00 0.00 -0.79 -4.65 105.19 102.51 1huj n GLY 232 Ca 0.05 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1huj n GLY 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1huj n LYS 233 N -2.36 3.08 -2.65 1.61 5.02 0.33 -4.96 118.16 118.23 1huj n LYS 233 Ca 0.00 -2.49 -0.34 0.00 -2.02 0.00 0.00 58.31 53.45 1huj n LYS 233 Cb 0.00 -1.59 -0.05 0.00 -0.02 0.00 0.00 35.03 33.37 1huj n LYS 233 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1huj s SER 234 N -1.27 6.66 0.49 4.39 0.15 -1.16 -4.82 113.70 118.16 1huj s SER 234 Ca 0.36 1.86 0.25 0.00 0.70 0.00 0.00 55.95 59.11 1huj s SER 234 Cb 0.24 -2.56 1.28 0.00 -1.71 0.00 0.00 66.02 63.27 1huj s SER 234 CO 0.16 -0.56 2.01 0.77 1.20 0.00 0.00 173.24 176.83 1huj h SER 235 N 1.91 0.00 -0.86 5.45 4.64 -1.95 -3.41 113.55 119.33 1huj h SER 235 Ca -0.49 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 60.95 1huj h SER 235 Cb 1.20 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.08 1huj h SER 235 CO 0.60 0.16 -0.19 -0.62 -0.87 0.00 0.00 176.83 175.91 1huj s ASP 236 N -6.29 -1.20 0.00 4.97 2.15 -1.26 -5.00 116.67 110.04 1huj s ASP 236 Ca -0.02 0.71 0.26 0.00 0.43 0.00 0.00 52.55 53.92 1huj s ASP 236 Cb 0.13 1.99 1.30 0.00 -0.30 0.00 0.00 42.92 46.05 1huj s ASP 236 CO 0.61 -0.22 1.87 -1.54 -0.17 0.00 0.00 175.17 175.71 1huj n SER 237 N 5.43 0.63 -3.00 -0.34 3.41 -1.26 -4.92 113.62 113.57 1huj n SER 237 Ca -0.02 -1.35 -0.22 0.00 -0.26 0.00 0.00 58.87 57.03 1huj n SER 237 Cb 0.52 -0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1huj n SER 237 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1huj n LYS 238 N -0.45 -3.92 -0.99 4.33 4.76 -1.26 -0.69 118.16 119.93 1huj n LYS 238 Ca 0.19 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.40 1huj n LYS 238 Cb 0.19 -5.55 0.00 0.00 -1.84 0.00 0.00 35.03 27.83 1huj n LYS 238 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1huj n GLY 239 N -1.31 0.86 3.77 0.72 0.00 -1.26 -5.00 105.19 102.97 1huj n GLY 239 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1huj n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1huj s ILE 240 N -3.47 2.36 -0.30 -0.61 1.01 0.13 -4.62 121.20 115.70 1huj s ILE 240 Ca 0.00 0.34 -0.21 0.00 0.00 0.00 0.00 60.65 60.78 1huj s ILE 240 Cb 0.00 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.24 1huj s ILE 240 CO 0.00 0.08 0.66 -0.62 0.00 0.00 0.00 174.94 175.05 1huj s ASP 241 N -0.11 6.53 -0.06 3.58 -1.08 0.81 -4.92 116.67 121.43 1huj s ASP 241 Ca 0.54 0.49 0.15 0.00 -0.52 0.00 0.00 52.55 53.21 1huj s ASP 241 Cb -0.44 -2.35 0.50 0.00 -1.46 0.00 0.00 42.92 39.18 1huj s ASP 241 CO 0.55 -0.50 1.42 0.18 0.52 0.00 0.00 175.17 177.35 1huj n LEU 242 N 5.93 3.72 -4.68 -1.34 4.77 -1.26 -4.85 117.00 119.29 1huj n LEU 242 Ca -0.00 -2.30 -0.45 0.00 -0.03 0.00 0.00 56.01 53.23 1huj n LEU 242 Cb 0.49 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1huj n LEU 242 CO 0.46 0.78 1.28 0.41 -1.33 0.00 0.00 177.39 178.99 1huj n THR 243 N 0.65 0.10 -3.98 -5.08 -1.04 -1.26 -4.68 114.28 98.99 1huj n THR 243 Ca 0.19 -0.02 -0.09 0.00 -2.04 0.00 0.00 64.05 62.09 1huj n THR 243 Cb 0.66 -1.69 -0.08 0.00 -1.82 0.00 0.00 70.33 67.39 1huj n THR 243 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1huj s ASN 244 N 1.49 0.21 0.00 8.00 2.20 -1.02 -4.39 114.94 121.43 1huj s ASN 244 Ca 0.80 -0.87 0.00 0.00 -0.94 0.00 0.00 52.86 51.85 1huj s ASN 244 Cb -0.64 0.32 0.00 0.00 -2.00 0.00 0.00 41.25 38.94 1huj s ASN 244 CO 0.39 -0.74 0.65 1.33 -2.94 0.00 0.00 177.10 175.79 1huj n VAL 245 N -0.07 0.42 0.00 3.54 0.24 -1.26 -0.24 118.33 120.97 1huj n VAL 245 Ca -0.11 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 1huj n VAL 245 Cb 0.62 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 1huj n VAL 245 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1huj n THR 246 N -0.21 0.00 -3.82 3.34 -2.24 -1.26 -4.60 114.28 105.49 1huj n THR 246 Ca 0.00 -0.34 -0.33 0.00 -2.27 0.00 0.00 64.05 61.11 1huj n THR 246 Cb 0.26 0.86 -0.11 0.00 -2.10 0.00 0.00 70.33 69.24 1huj n THR 246 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1huj s LEU 247 N -2.07 4.88 0.47 3.22 1.43 -1.26 -4.95 118.68 120.39 1huj s LEU 247 Ca 0.00 -3.14 0.31 0.00 -1.03 0.00 0.00 54.13 50.27 1huj s LEU 247 Cb 0.00 -1.76 1.23 0.00 0.03 0.00 0.00 46.19 45.69 1huj s LEU 247 CO 0.00 -0.26 1.90 -0.65 0.23 0.00 0.00 176.35 177.57 1huj h PRO 248 N 6.51 0.00 -0.09 1.29 0.11 -1.96 -2.64 132.00 135.22 1huj h PRO 248 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1huj h PRO 248 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1huj h PRO 248 CO 0.72 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.26 1huj n ASP 249 N -2.86 0.73 -4.72 -2.05 8.00 -1.26 -4.82 116.55 109.58 1huj n ASP 249 Ca 0.01 -1.65 -0.31 0.00 0.71 0.00 0.00 54.79 53.55 1huj n ASP 249 Cb 0.30 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.26 1huj n ASP 249 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1huj s THR 250 N -1.88 4.25 0.56 -3.53 -4.23 -0.99 -5.01 115.64 104.81 1huj s THR 250 Ca 0.25 -0.77 0.28 0.00 -1.18 0.00 0.00 61.69 60.27 1huj s THR 250 Cb 0.12 -2.99 0.40 0.00 1.34 0.00 0.00 72.50 71.38 1huj s THR 250 CO 0.19 0.21 1.95 -0.65 -0.54 0.00 0.00 174.62 175.79 1huj h PRO 251 N 3.71 0.00 -0.36 3.99 0.11 -1.83 -2.66 132.00 134.97 1huj h PRO 251 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1huj h PRO 251 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1huj h PRO 251 CO 0.61 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.65 1huj n THR 252 N -4.03 1.76 -2.31 -1.15 -2.24 -1.26 -4.99 114.28 100.06 1huj n THR 252 Ca 0.10 -1.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.02 1huj n THR 252 Cb 0.65 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1huj n THR 252 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1huj s TYR 253 N -2.00 3.35 -0.29 4.78 5.04 -1.00 -2.43 117.35 124.80 1huj s TYR 253 Ca 0.37 1.26 -0.01 0.00 -2.44 0.00 0.00 57.07 56.25 1huj s TYR 253 Cb 0.26 -3.52 0.18 0.00 0.35 0.00 0.00 41.96 39.23 1huj s TYR 253 CO 0.14 -1.61 0.57 0.45 -1.34 0.00 0.00 175.55 173.76 1huj s SER 254 N 0.57 -1.16 0.33 4.32 0.15 0.67 -4.94 113.70 113.64 1huj s SER 254 Ca 0.57 0.77 0.09 0.00 0.70 0.00 0.00 55.95 58.08 1huj s SER 254 Cb -0.34 2.01 0.59 0.00 -1.71 0.00 0.00 66.02 66.57 1huj s SER 254 CO 0.34 -0.27 1.78 0.50 1.20 0.00 0.00 173.24 176.79 1huj h LYS 255 N 8.03 0.19 -0.65 5.44 3.64 -1.81 -2.86 116.57 128.54 1huj h LYS 255 Ca -0.22 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1huj h LYS 255 Cb 1.16 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1huj h LYS 255 CO 0.26 0.51 0.00 0.00 -2.27 0.00 0.00 179.45 177.95 1huj n ALA 256 N -2.48 3.12 0.20 5.00 0.00 -1.26 -3.17 120.51 121.92 1huj n ALA 256 Ca -0.01 -1.47 0.05 0.00 0.00 0.00 0.00 53.44 52.01 1huj n ALA 256 Cb 0.41 -1.04 0.50 0.00 0.00 0.00 0.00 19.45 19.32 1huj n ALA 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1huj h ALA 257 N 4.02 1.70 -0.96 0.00 0.00 -1.87 -2.54 119.26 119.62 1huj h ALA 257 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1huj h ALA 257 Cb 1.40 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1huj h ALA 257 CO 0.24 0.22 0.61 1.03 0.00 0.00 0.00 179.25 181.35 1huj h SER 258 N 0.05 1.12 0.81 0.00 0.87 -1.76 -3.11 113.55 111.54 1huj h SER 258 Ca 0.01 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.47 1huj h SER 258 Cb 0.28 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1huj h SER 258 CO 0.02 0.84 -0.25 0.44 -0.53 0.00 0.00 176.83 177.35 1huj h ASP 259 N 1.31 0.00 -0.05 6.23 5.19 -1.68 -2.74 116.42 124.68 1huj h ASP 259 Ca 0.35 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 1huj h ASP 259 Cb -0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.40 1huj h ASP 259 CO -0.07 0.25 0.00 0.00 -3.12 0.00 0.00 179.24 176.30 1huj n ALA 260 N -2.26 2.58 -2.41 3.45 0.00 -1.17 -4.80 120.51 115.90 1huj n ALA 260 Ca -0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 53.44 52.63 1huj n ALA 260 Cb 0.42 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 1huj n ALA 260 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1huj s ILE 261 N -1.94 4.54 0.71 0.00 -1.09 -1.04 -5.05 121.20 117.33 1huj s ILE 261 Ca 0.37 1.98 -0.16 0.00 -2.23 0.00 0.00 60.65 60.61 1huj s ILE 261 Cb 0.19 -4.27 -0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1huj s ILE 261 CO 0.31 0.25 0.96 -2.65 -1.23 0.00 0.00 174.94 172.58 1huj n PRO 262 N 3.21 0.56 -1.71 2.79 -0.02 -1.26 -4.99 135.00 133.58 1huj n PRO 262 Ca 0.04 0.25 -0.31 0.00 -2.02 0.00 0.00 63.50 61.46 1huj n PRO 262 Cb 0.49 -2.21 0.03 0.00 -0.02 0.00 0.00 33.50 31.79 1huj n PRO 262 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1huj s PRO 263 N -3.25 3.24 0.30 0.52 0.04 -1.26 -4.96 135.00 129.63 1huj s PRO 263 Ca 0.74 0.87 -0.28 0.00 0.04 0.00 0.00 61.00 62.36 1huj s PRO 263 Cb -0.35 -2.03 -0.14 0.00 0.04 0.00 0.00 34.50 32.02 1huj s PRO 263 CO 0.50 -0.86 1.07 0.00 0.04 0.00 0.00 177.00 177.75 1huj n ALA 264 N -2.95 0.08 -2.94 8.56 0.00 -1.26 -4.88 120.51 117.12 1huj n ALA 264 Ca 0.07 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.76 1huj n ALA 264 Cb 0.54 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1huj n ALA 264 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1huj n SER 265 N 1.17 1.01 -4.67 0.00 3.41 -0.21 -4.99 113.62 109.34 1huj n SER 265 Ca 0.09 -2.88 -0.48 0.00 -0.26 0.00 0.00 58.87 55.34 1huj n SER 265 Cb 0.33 -0.51 -0.05 0.00 -0.26 0.00 0.00 64.21 63.71 1huj n SER 265 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1huj n LEU 266 N 0.12 3.12 -4.61 1.04 0.00 -0.92 -0.91 117.00 114.84 1huj n LEU 266 Ca 0.17 1.04 -0.24 0.00 0.00 0.00 0.00 56.01 56.98 1huj n LEU 266 Cb 0.74 -1.37 -0.08 0.00 0.00 0.00 0.00 43.42 42.70 1huj n LEU 266 CO 0.23 -0.24 -0.34 -0.54 0.00 0.00 0.00 177.39 176.50 1huj s LYS 267 N 2.41 2.09 0.49 1.96 1.02 -0.47 -4.86 119.74 122.38 1huj s LYS 267 Ca 0.86 -1.63 -0.24 0.00 0.02 0.00 0.00 55.97 54.99 1huj s LYS 267 Cb -0.72 -1.99 -0.07 0.00 -0.52 0.00 0.00 37.83 34.53 1huj s LYS 267 CO 0.46 0.25 1.38 0.00 -0.92 0.00 0.00 175.35 176.52 1huj s ALA 268 N -2.45 3.03 -0.20 5.17 0.00 -1.26 -4.28 121.76 121.78 1huj s ALA 268 Ca 0.33 1.37 -0.39 0.00 0.00 0.00 0.00 51.96 53.26 1huj s ALA 268 Cb -0.03 -3.56 -0.16 0.00 0.00 0.00 0.00 23.12 19.36 1huj s ALA 268 CO 0.19 -1.23 1.65 -0.25 0.00 0.00 0.00 175.76 176.12 1huj n ASP 269 N -0.59 2.20 -4.75 0.00 9.92 -1.26 -4.39 116.55 117.69 1huj n ASP 269 Ca 0.08 1.09 -0.38 0.00 -0.53 0.00 0.00 54.79 55.05 1huj n ASP 269 Cb 0.44 -1.15 0.04 0.00 -0.64 0.00 0.00 41.12 39.81 1huj n ASP 269 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1huj s ALA 270 N 2.87 2.73 0.37 2.24 0.00 0.17 -4.88 121.76 125.26 1huj s ALA 270 Ca 0.95 1.23 -0.28 0.00 0.00 0.00 0.00 51.96 53.87 1huj s ALA 270 Cb -1.05 -3.53 -0.11 0.00 0.00 0.00 0.00 23.12 18.43 1huj s ALA 270 CO 0.62 -1.31 1.39 -0.35 0.00 0.00 0.00 175.76 176.11 1huj n PRO 271 N -1.19 2.37 -3.60 0.00 -0.04 -1.26 -4.64 135.00 126.63 1huj n PRO 271 Ca 0.11 0.83 -0.38 0.00 -0.04 0.00 0.00 63.50 64.03 1huj n PRO 271 Cb 0.46 -2.51 -0.06 0.00 -0.04 0.00 0.00 33.50 31.35 1huj n PRO 271 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1huj s ILE 272 N -1.12 5.20 0.49 0.52 1.01 -1.26 -5.01 121.20 121.02 1huj s ILE 272 Ca 0.55 0.64 -0.23 0.00 0.00 0.00 0.00 60.65 61.60 1huj s ILE 272 Cb -0.51 -3.62 -0.07 0.00 0.01 0.00 0.00 42.46 38.26 1huj s ILE 272 CO 0.62 0.56 1.31 -0.67 0.00 0.00 0.00 174.94 176.76 1huj n ASP 273 N 2.16 2.59 0.28 3.58 2.03 -1.26 -4.86 116.55 121.06 1huj n ASP 273 Ca -0.15 1.04 0.16 0.00 0.52 0.00 0.00 54.79 56.36 1huj n ASP 273 Cb 0.53 -1.54 0.74 0.00 -0.72 0.00 0.00 41.12 40.13 1huj n ASP 273 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1huj h LYS 274 N 1.75 0.00 -0.01 -0.67 1.63 -2.04 -2.07 116.57 115.16 1huj h LYS 274 Ca -0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1huj h LYS 274 Cb 1.30 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1huj h LYS 274 CO 0.58 0.06 0.01 0.66 -3.45 0.00 0.00 179.45 177.31 1huj h SER 275 N 0.00 0.00 0.32 4.20 4.64 -2.01 -1.36 113.55 119.35 1huj h SER 275 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1huj h SER 275 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1huj h SER 275 CO 0.01 0.00 0.00 -0.38 -0.87 0.00 0.00 176.83 175.59 1huj n ILE 276 N -4.30 0.75 -0.05 0.95 2.08 -0.78 -2.10 119.36 115.92 1huj n ILE 276 Ca -0.03 0.19 -0.12 0.00 0.56 0.00 0.00 62.75 63.36 1huj n ILE 276 Cb 0.10 -0.96 0.02 0.00 -0.75 0.00 0.00 39.64 38.05 1huj n ILE 276 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1huj h ASP 277 N 0.00 0.81 -2.14 4.38 3.32 -1.45 -3.42 116.42 117.92 1huj h ASP 277 Ca 0.00 -0.41 -0.63 0.00 0.02 0.00 0.00 57.03 56.01 1huj h ASP 277 Cb 0.16 -0.23 0.09 0.00 0.22 0.00 0.00 39.33 39.57 1huj h ASP 277 CO 0.00 1.16 0.23 1.17 -1.72 0.00 0.00 179.24 180.08 1huj n LYS 278 N -4.00 1.26 -3.54 3.56 4.81 -0.89 -4.88 118.16 114.48 1huj n LYS 278 Ca -0.03 0.45 -0.40 0.00 -0.87 0.00 0.00 58.31 57.45 1huj n LYS 278 Cb 0.59 -1.90 -0.11 0.00 0.02 0.00 0.00 35.03 33.63 1huj n LYS 278 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1huj s TRP 279 N -0.48 3.23 0.18 5.64 -0.11 -1.26 -3.75 118.94 122.39 1huj s TRP 279 Ca 0.68 -0.32 -0.15 0.00 1.22 0.00 0.00 56.10 57.53 1huj s TRP 279 Cb -0.79 -2.48 -0.07 0.00 -1.50 0.00 0.00 33.47 28.63 1huj s TRP 279 CO 0.55 -0.41 0.59 -0.06 -4.62 0.00 0.00 176.95 173.00 1huj s PHE 280 N 1.70 3.59 0.00 5.86 0.40 0.30 -4.89 117.98 124.94 1huj s PHE 280 Ca 0.06 1.12 0.00 0.00 -0.60 0.00 0.00 56.93 57.50 1huj s PHE 280 Cb -0.18 -2.42 0.00 0.00 0.51 0.00 0.00 43.02 40.94 1huj s PHE 280 CO 0.10 0.38 0.35 1.19 0.70 0.00 0.00 175.22 177.94