#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huj n ARG 6 N 0.00 0.00 -3.83 3.69 1.85 -1.26 -5.10 116.66 112.01 3huj n ARG 6 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.50 3huj n ARG 6 Cb 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.33 3huj n ARG 6 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 3huj s LEU 7 N 0.00 4.10 -0.47 2.89 0.05 -1.26 -5.05 118.68 118.94 3huj s LEU 7 Ca 0.00 0.20 0.07 0.00 0.05 0.00 0.00 54.13 54.46 3huj s LEU 7 Cb 0.00 -2.05 0.24 0.00 -2.05 0.00 0.00 46.19 42.33 3huj s LEU 7 CO 0.00 0.20 0.58 0.49 -0.55 0.00 0.00 176.35 177.06 3huj n PHE 8 N 3.40 0.85 -1.77 3.48 3.01 -1.26 -4.81 117.46 120.36 3huj n PHE 8 Ca -0.16 -3.74 -0.41 0.00 1.01 0.00 0.00 57.45 54.15 3huj n PHE 8 Cb 0.52 -0.39 -0.01 0.00 -0.01 0.00 0.00 39.48 39.60 3huj n PHE 8 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3huj s PRO 9 N -1.50 4.10 -0.33 -1.08 0.04 -1.26 -3.96 135.00 130.99 3huj s PRO 9 Ca 0.36 2.60 -0.22 0.00 0.04 0.00 0.00 61.00 63.79 3huj s PRO 9 Cb 0.15 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.72 3huj s PRO 9 CO -0.09 -0.59 0.71 -1.17 0.04 0.00 0.00 177.00 175.90 3huj s LEU 10 N -1.56 4.15 -0.36 -3.56 2.96 -0.35 -1.75 118.68 118.22 3huj s LEU 10 Ca 0.57 0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 54.83 3huj s LEU 10 Cb -0.48 -2.93 0.07 0.00 0.50 0.00 0.00 46.19 43.35 3huj s LEU 10 CO 0.59 -0.61 0.12 -0.13 -1.32 0.00 0.00 176.35 174.99 3huj s ARG 11 N 2.86 2.36 -0.40 1.98 0.52 -0.22 -2.56 118.95 123.49 3huj s ARG 11 Ca 0.28 -1.44 -0.20 0.00 -0.52 0.00 0.00 55.73 53.85 3huj s ARG 11 Cb -0.14 -3.44 0.01 0.00 0.52 0.00 0.00 34.95 31.90 3huj s ARG 11 CO 0.14 -0.81 0.60 0.00 0.02 0.00 0.00 175.30 175.25 3huj s LEU 13 N 2.67 3.19 -0.02 0.00 1.02 0.79 -0.52 118.68 125.81 3huj s LEU 13 Ca 0.22 -0.04 0.02 0.00 0.02 0.00 0.00 54.13 54.35 3huj s LEU 13 Cb -0.15 -1.71 0.00 0.00 0.02 0.00 0.00 46.19 44.36 3huj s LEU 13 CO 0.16 0.33 -0.08 -1.58 0.02 0.00 0.00 176.35 175.20 3huj s GLN 14 N -0.59 0.77 -0.26 1.70 0.74 0.12 -0.53 119.66 121.60 3huj s GLN 14 Ca 0.09 -0.26 0.01 0.00 0.05 0.00 0.00 55.36 55.25 3huj s GLN 14 Cb -0.12 -0.74 0.07 0.00 1.10 0.00 0.00 33.01 33.33 3huj s GLN 14 CO 0.02 0.11 -0.01 0.42 -0.55 0.00 0.00 175.29 175.27 3huj s ILE 15 N 0.12 1.49 -0.18 -2.34 1.01 0.17 -1.72 121.20 119.75 3huj s ILE 15 Ca -0.01 -1.37 -0.02 0.00 0.00 0.00 0.00 60.65 59.25 3huj s ILE 15 Cb -0.07 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 3huj s ILE 15 CO 0.00 -0.26 -0.10 -0.44 0.00 0.00 0.00 174.94 174.14 3huj s SER 16 N 1.38 4.03 -0.12 3.58 0.01 0.20 -1.20 113.70 121.57 3huj s SER 16 Ca -0.01 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 56.88 3huj s SER 16 Cb -0.19 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.40 3huj s SER 16 CO -0.09 0.06 -0.22 -0.55 0.41 0.00 0.00 173.24 172.85 3huj s SER 17 N 0.97 3.20 -0.43 2.44 0.15 -0.31 -0.47 113.70 119.25 3huj s SER 17 Ca -0.01 -0.56 0.04 0.00 0.70 0.00 0.00 55.95 56.12 3huj s SER 17 Cb -0.15 -1.45 0.12 0.00 -1.71 0.00 0.00 66.02 62.83 3huj s SER 17 CO -0.01 0.12 0.16 -0.36 1.20 0.00 0.00 173.24 174.35 3huj s PHE 18 N 0.56 3.49 0.13 3.44 0.40 0.11 -2.08 117.98 124.02 3huj s PHE 18 Ca -0.13 -3.07 -0.15 0.00 -0.60 0.00 0.00 56.93 52.98 3huj s PHE 18 Cb -0.17 -2.89 -0.01 0.00 0.51 0.00 0.00 43.02 40.46 3huj s PHE 18 CO 0.04 -0.85 1.61 0.00 0.70 0.00 0.00 175.22 176.72 3huj h ALA 19 N 7.10 0.53 -3.00 5.36 0.00 -1.73 0.60 119.26 128.12 3huj h ALA 19 Ca -0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3huj h ALA 19 Cb 0.96 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3huj h ALA 19 CO 0.61 0.23 0.25 0.54 0.00 0.00 0.00 179.25 180.87 3huj s ASN 20 N -6.05 0.04 0.00 0.00 2.20 -1.19 -4.00 114.94 105.95 3huj s ASN 20 Ca -0.13 -1.14 0.15 0.00 -0.94 0.00 0.00 52.86 50.80 3huj s ASN 20 Cb 0.10 0.84 0.65 0.00 -2.00 0.00 0.00 41.25 40.83 3huj s ASN 20 CO 0.77 -1.66 1.48 -1.54 -2.94 0.00 0.00 177.10 173.22 3huj n SER 21 N -1.37 0.01 -0.16 3.54 3.41 -1.26 -2.71 113.62 115.07 3huj n SER 21 Ca -0.08 0.50 0.02 0.00 -0.26 0.00 0.00 58.87 59.05 3huj n SER 21 Cb 0.60 -0.50 0.03 0.00 -0.26 0.00 0.00 64.21 64.07 3huj n SER 21 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3huj n SER 22 N -1.51 1.72 -3.69 4.04 3.41 -1.26 -4.95 113.62 111.38 3huj n SER 22 Ca 0.04 -1.52 -0.21 0.00 -0.26 0.00 0.00 58.87 56.91 3huj n SER 22 Cb 0.18 -0.03 -0.18 0.00 -0.26 0.00 0.00 64.21 63.92 3huj n SER 22 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 3huj s TRP 23 N -0.60 0.23 0.01 7.33 -0.00 -1.10 -5.13 118.94 119.69 3huj s TRP 23 Ca 0.05 0.09 -0.20 0.00 -0.00 0.00 0.00 56.10 56.05 3huj s TRP 23 Cb 0.03 -0.58 0.04 0.00 -0.00 0.00 0.00 33.47 32.96 3huj s TRP 23 CO 0.04 -0.26 0.44 -0.08 -0.00 0.00 0.00 176.95 177.09 3huj s THR 24 N 2.12 0.05 -0.00 5.86 -1.32 -1.26 -2.39 115.64 118.68 3huj s THR 24 Ca 0.05 -0.37 -0.06 0.00 -1.21 0.00 0.00 61.69 60.09 3huj s THR 24 Cb -0.12 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3huj s THR 24 CO -0.04 -0.21 0.13 0.00 -2.21 0.00 0.00 174.62 172.29 3huj s ARG 25 N -1.98 0.43 -0.10 7.08 1.70 -0.88 -5.02 118.95 120.17 3huj s ARG 25 Ca -0.08 -0.34 0.01 0.00 -0.47 0.00 0.00 55.73 54.85 3huj s ARG 25 Cb -0.02 0.18 0.02 0.00 -0.57 0.00 0.00 34.95 34.56 3huj s ARG 25 CO 0.01 -0.10 -0.11 0.99 -1.08 0.00 0.00 175.30 175.01 3huj s THR 26 N -1.20 1.20 -0.01 4.99 2.01 -1.26 -1.16 115.64 120.20 3huj s THR 26 Ca -0.13 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 61.48 3huj s THR 26 Cb -0.07 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 3huj s THR 26 CO 0.01 0.39 -0.18 -1.81 -0.69 0.00 0.00 174.62 172.34 3huj s ASP 27 N 1.25 2.06 0.24 3.53 1.11 -0.35 -2.68 116.67 121.83 3huj s ASP 27 Ca -0.03 -0.32 0.00 0.00 0.18 0.00 0.00 52.55 52.39 3huj s ASP 27 Cb -0.14 -0.23 -0.05 0.00 1.07 0.00 0.00 42.92 43.58 3huj s ASP 27 CO -0.04 0.21 0.11 -0.83 1.18 0.00 0.00 175.17 175.81 3huj s GLY 28 N -0.42 1.62 -0.06 0.21 0.00 0.96 0.42 107.32 110.06 3huj s GLY 28 Ca 0.07 -1.80 -0.29 0.00 0.00 0.00 0.00 44.72 42.70 3huj s GLY 28 CO -0.01 -1.51 0.88 0.48 0.00 0.00 0.00 173.10 172.94 3huj s LEU 29 N -3.25 -0.43 -0.04 0.66 2.34 0.31 -0.47 118.68 117.80 3huj s LEU 29 Ca 0.38 0.27 0.06 0.00 0.06 0.00 0.00 54.13 54.91 3huj s LEU 29 Cb 0.07 2.08 -0.01 0.00 -0.56 0.00 0.00 46.19 47.77 3huj s LEU 29 CO 0.13 -0.53 -0.22 0.00 -1.06 0.00 0.00 176.35 174.67 3huj s ALA 30 N -2.05 1.93 0.07 1.48 0.00 -0.90 -0.15 121.76 122.13 3huj s ALA 30 Ca -0.00 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.09 3huj s ALA 30 Cb -0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 3huj s ALA 30 CO -0.02 0.40 -0.19 -1.58 0.00 0.00 0.00 175.76 174.37 3huj s TRP 31 N -0.22 2.52 -0.26 0.00 0.52 -0.75 0.02 118.94 120.77 3huj s TRP 31 Ca -0.00 -0.28 -0.01 0.00 0.02 0.00 0.00 56.10 55.84 3huj s TRP 31 Cb -0.12 -1.41 0.08 0.00 -1.15 0.00 0.00 33.47 30.86 3huj s TRP 31 CO 0.02 0.28 0.03 -1.17 0.02 0.00 0.00 176.95 176.13 3huj s LEU 32 N -1.64 2.21 0.00 2.99 2.96 0.11 -1.06 118.68 124.25 3huj s LEU 32 Ca 0.15 -1.30 0.00 0.00 -0.22 0.00 0.00 54.13 52.77 3huj s LEU 32 Cb -0.10 -0.94 0.00 0.00 0.50 0.00 0.00 46.19 45.65 3huj s LEU 32 CO 0.06 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 3huj n GLY 33 N 4.81 3.96 0.02 7.98 0.00 -0.72 -2.42 105.19 118.82 3huj n GLY 33 Ca -0.07 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.20 3huj n GLY 33 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3huj n GLU 34 N 12.47 0.28 -2.97 1.61 0.28 -1.26 -4.86 120.64 126.19 3huj n GLU 34 Ca 0.00 -0.04 -0.40 0.00 -0.16 0.00 0.00 57.16 56.56 3huj n GLU 34 Cb 0.00 -1.56 -0.05 0.00 1.43 0.00 0.00 31.44 31.26 3huj n GLU 34 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3huj s LEU 35 N -3.80 4.48 -0.26 -1.84 1.02 -1.02 -5.05 118.68 112.21 3huj s LEU 35 Ca 0.03 1.50 -0.26 0.00 0.02 0.00 0.00 54.13 55.42 3huj s LEU 35 Cb 0.15 -3.26 0.00 0.00 0.02 0.00 0.00 46.19 43.10 3huj s LEU 35 CO 0.84 0.04 0.89 -1.58 0.02 0.00 0.00 176.35 176.56 3huj s GLN 36 N -0.23 4.14 -0.09 1.70 0.74 -1.26 0.07 119.66 124.73 3huj s GLN 36 Ca 0.38 0.96 0.21 0.00 0.05 0.00 0.00 55.36 56.96 3huj s GLN 36 Cb -0.21 -3.67 -0.31 0.00 1.10 0.00 0.00 33.01 29.92 3huj s GLN 36 CO 0.24 -0.61 0.34 0.25 -0.55 0.00 0.00 175.29 174.95 3huj n THR 37 N 5.39 0.50 -3.91 -0.34 -2.24 0.10 -4.79 114.28 108.99 3huj n THR 37 Ca 0.07 -0.63 -0.08 0.00 -2.27 0.00 0.00 64.05 61.14 3huj n THR 37 Cb 0.47 -0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.46 3huj n THR 37 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3huj s HIS 38 N -3.15 0.24 -0.11 4.78 3.76 -1.13 -2.22 115.29 117.46 3huj s HIS 38 Ca -0.09 -0.69 -0.07 0.00 -0.15 0.00 0.00 55.06 54.06 3huj s HIS 38 Cb 0.11 -0.13 0.04 0.00 1.11 0.00 0.00 32.58 33.71 3huj s HIS 38 CO 0.88 -0.52 0.27 0.45 -0.85 0.00 0.00 174.74 174.97 3huj s SER 39 N -2.88 -0.29 -0.29 1.40 0.15 -0.71 -2.11 113.70 108.97 3huj s SER 39 Ca 0.06 0.56 -0.03 0.00 0.70 0.00 0.00 55.95 57.24 3huj s SER 39 Cb 0.05 0.48 0.10 0.00 -1.71 0.00 0.00 66.02 64.94 3huj s SER 39 CO -0.10 -0.15 0.13 0.86 1.20 0.00 0.00 173.24 175.18 3huj s TRP 40 N 0.99 0.54 0.07 3.44 -0.00 0.37 -0.04 118.94 124.31 3huj s TRP 40 Ca -0.07 -1.03 -0.08 0.00 -0.00 0.00 0.00 56.10 54.92 3huj s TRP 40 Cb -0.08 -1.02 -0.05 0.00 -0.00 0.00 0.00 33.47 32.31 3huj s TRP 40 CO -0.07 -0.84 0.36 0.45 -0.00 0.00 0.00 176.95 176.85 3huj s SER 41 N 2.00 6.58 0.44 5.86 0.15 -1.26 -0.03 113.70 127.44 3huj s SER 41 Ca 0.09 0.69 0.22 0.00 0.70 0.00 0.00 55.95 57.66 3huj s SER 41 Cb -0.16 -2.14 1.21 0.00 -1.71 0.00 0.00 66.02 63.21 3huj s SER 41 CO -0.34 0.18 1.82 -1.13 1.20 0.00 0.00 173.24 174.97 3huj h ASN 42 N 3.68 0.31 -0.06 5.45 -1.24 -1.91 0.04 115.58 121.86 3huj h ASN 42 Ca -0.49 0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.57 3huj h ASN 42 Cb 1.19 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.23 3huj h ASN 42 CO 0.67 0.09 0.00 0.47 -1.29 0.00 0.00 177.43 177.37 3huj n ASP 43 N -4.48 0.79 -4.72 1.15 10.43 -1.26 -4.86 116.55 113.60 3huj n ASP 43 Ca 0.22 -1.46 -0.32 0.00 2.57 0.00 0.00 54.79 55.79 3huj n ASP 43 Cb 0.87 -0.04 -0.08 0.00 1.84 0.00 0.00 41.12 43.71 3huj n ASP 43 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3huj s SER 44 N -1.71 5.33 0.39 -2.24 0.15 0.00 -5.01 113.70 110.62 3huj s SER 44 Ca 0.34 0.03 0.21 0.00 0.70 0.00 0.00 55.95 57.23 3huj s SER 44 Cb 0.17 -1.44 0.27 0.00 -1.71 0.00 0.00 66.02 63.32 3huj s SER 44 CO 0.27 0.26 1.56 -2.24 1.20 0.00 0.00 173.24 174.30 3huj h ASP 45 N 4.11 0.00 -4.10 5.45 -0.00 -1.89 -3.46 116.42 116.54 3huj h ASP 45 Ca -0.49 0.00 -0.34 0.00 -0.00 0.00 0.00 57.03 56.20 3huj h ASP 45 Cb 1.18 0.00 -0.14 0.00 -0.00 0.00 0.00 39.33 40.36 3huj h ASP 45 CO 0.60 0.16 -0.67 0.42 -0.00 0.00 0.00 179.24 179.75 3huj s THR 46 N -3.14 0.94 -0.10 1.15 -4.23 -1.26 -4.88 115.64 104.12 3huj s THR 46 Ca 0.06 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.25 3huj s THR 46 Cb 0.06 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 3huj s THR 46 CO 0.69 -0.45 1.35 -0.69 -0.54 0.00 0.00 174.62 174.98 3huj s VAL 47 N -3.48 4.05 0.21 2.29 1.01 -1.26 -4.62 120.40 118.61 3huj s VAL 47 Ca 0.25 1.32 -0.20 0.00 0.00 0.00 0.00 61.98 63.36 3huj s VAL 47 Cb 0.05 -3.85 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 3huj s VAL 47 CO 0.06 -0.08 0.71 -0.60 0.00 0.00 0.00 175.10 175.19 3huj s ARG 48 N 3.19 4.25 0.16 2.72 3.52 0.94 -4.93 118.95 128.79 3huj s ARG 48 Ca 0.60 0.86 -0.14 0.00 -0.13 0.00 0.00 55.73 56.91 3huj s ARG 48 Cb -0.26 -2.90 -0.07 0.00 -1.56 0.00 0.00 34.95 30.16 3huj s ARG 48 CO 0.20 0.41 0.56 -1.12 -0.81 0.00 0.00 175.30 174.55 3huj s SER 49 N -1.62 6.83 -0.03 -2.12 0.01 -1.26 -1.73 113.70 113.78 3huj s SER 49 Ca 0.42 1.10 0.07 0.00 1.31 0.00 0.00 55.95 58.85 3huj s SER 49 Cb -0.17 -2.30 -0.11 0.00 0.21 0.00 0.00 66.02 63.66 3huj s SER 49 CO 0.21 0.09 0.12 0.18 0.41 0.00 0.00 173.24 174.25 3huj n LEU 50 N 0.75 0.00 -4.57 2.44 4.77 -0.94 -4.92 117.00 114.53 3huj n LEU 50 Ca -0.05 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.63 3huj n LEU 50 Cb 0.52 0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.56 3huj n LEU 50 CO 0.43 0.06 -0.41 -0.54 -1.33 0.00 0.00 177.39 175.59 3huj s LYS 51 N -2.41 2.29 0.61 3.23 -0.14 -1.25 -5.00 119.74 117.07 3huj s LYS 51 Ca -0.03 -0.91 0.26 0.00 -1.36 0.00 0.00 55.97 53.94 3huj s LYS 51 Cb 0.04 -2.37 1.26 0.00 -1.68 0.00 0.00 37.83 35.08 3huj s LYS 51 CO 0.30 0.55 1.69 -1.35 -0.76 0.00 0.00 175.35 175.78 3huj h PRO 52 N 4.03 0.00 -0.15 -1.68 0.11 -1.97 -2.06 132.00 130.29 3huj h PRO 52 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3huj h PRO 52 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3huj h PRO 52 CO 0.53 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.65 3huj n TRP 53 N -3.35 0.43 0.01 0.65 4.27 -1.26 -4.75 117.44 113.45 3huj n TRP 53 Ca 0.09 -0.83 0.04 0.00 -3.89 0.00 0.00 57.50 52.91 3huj n TRP 53 Cb 0.84 -0.19 0.43 0.00 -1.36 0.00 0.00 31.31 31.03 3huj n TRP 53 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 3huj h SER 54 N 0.96 0.45 1.04 -0.67 0.02 -1.68 -2.00 113.55 111.68 3huj h SER 54 Ca 0.00 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3huj h SER 54 Cb 1.09 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 3huj h SER 54 CO 0.09 0.33 -0.02 -0.61 -1.14 0.00 0.00 176.83 175.48 3huj h GLN 55 N 0.53 0.00 0.00 3.45 4.15 -1.85 -3.49 115.11 117.90 3huj h GLN 55 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3huj h GLN 55 Cb -0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.65 3huj h GLN 55 CO -0.03 0.02 0.00 0.41 -1.93 0.00 0.00 178.83 177.30 3huj n GLY 56 N 0.08 1.97 0.55 2.39 0.00 -0.75 -2.69 105.19 106.74 3huj n GLY 56 Ca 0.01 -0.43 0.07 0.00 0.00 0.00 0.00 46.02 45.67 3huj n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3huj n THR 57 N 0.00 0.12 -2.10 2.61 -2.24 -1.26 -4.85 114.28 106.56 3huj n THR 57 Ca 0.00 -0.56 -0.41 0.00 -2.27 0.00 0.00 64.05 60.81 3huj n THR 57 Cb 0.00 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.39 3huj n THR 57 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3huj s PHE 58 N -1.09 3.07 0.71 4.78 0.40 -1.09 -5.02 117.98 119.74 3huj s PHE 58 Ca 0.17 1.28 -0.11 0.00 -0.60 0.00 0.00 56.93 57.67 3huj s PHE 58 Cb 0.11 -3.71 0.02 0.00 0.51 0.00 0.00 43.02 39.95 3huj s PHE 58 CO 0.17 -2.08 1.07 -1.54 0.70 0.00 0.00 175.22 173.53 3huj s SER 59 N -0.14 5.27 0.18 1.36 1.04 -1.26 -4.80 113.70 115.35 3huj s SER 59 Ca 0.53 1.47 -0.20 0.00 0.48 0.00 0.00 55.95 58.23 3huj s SER 59 Cb -0.40 -2.33 0.12 0.00 0.10 0.00 0.00 66.02 63.51 3huj s SER 59 CO 0.48 -1.49 1.60 0.44 0.98 0.00 0.00 173.24 175.26 3huj h ASP 60 N -0.75 -0.95 -0.82 7.02 5.19 -1.98 0.13 116.42 124.25 3huj h ASP 60 Ca -0.45 0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.13 3huj h ASP 60 Cb 1.23 0.48 -0.04 0.00 0.18 0.00 0.00 39.33 41.18 3huj h ASP 60 CO 0.59 -0.28 0.39 0.06 -3.12 0.00 0.00 179.24 176.88 3huj h GLN 61 N -0.16 1.19 -0.57 3.56 -0.00 -1.97 0.35 115.11 117.49 3huj h GLN 61 Ca 0.22 -0.18 -0.01 0.00 -0.00 0.00 0.00 58.65 58.69 3huj h GLN 61 Cb 0.51 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.48 27.75 3huj h GLN 61 CO -0.59 0.92 0.33 1.96 -0.00 0.00 0.00 178.83 181.45 3huj h GLN 62 N 1.17 0.79 -0.57 0.06 4.20 -1.70 0.55 115.11 119.62 3huj h GLN 62 Ca 0.28 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.81 3huj h GLN 62 Cb 0.12 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3huj h GLN 62 CO -0.04 0.58 -0.03 2.35 -0.67 0.00 0.00 178.83 181.03 3huj h TRP 63 N 0.77 1.12 -0.16 2.96 2.91 -0.32 -2.49 115.95 120.74 3huj h TRP 63 Ca 0.20 -0.20 -0.08 0.00 1.13 0.00 0.00 58.89 59.94 3huj h TRP 63 Cb 0.01 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 28.36 3huj h TRP 63 CO -0.02 1.01 -0.24 1.49 -1.03 0.00 0.00 178.44 179.65 3huj h GLU 64 N 0.90 0.29 0.34 2.65 4.57 -0.02 0.12 114.58 123.43 3huj h GLU 64 Ca 0.16 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 3huj h GLU 64 Cb 0.58 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 3huj h GLU 64 CO 0.03 0.52 -0.16 1.15 -1.18 0.00 0.00 179.01 179.38 3huj h THR 65 N 0.26 0.68 -0.68 0.32 2.02 -0.75 0.44 112.91 115.21 3huj h THR 65 Ca 0.04 -0.34 0.15 0.00 0.77 0.00 0.00 66.41 67.03 3huj h THR 65 Cb 0.58 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 3huj h THR 65 CO 0.04 0.07 0.46 0.25 0.37 0.00 0.00 175.52 176.71 3huj h LEU 66 N -0.64 0.26 0.15 2.58 5.85 -1.26 -1.57 115.31 120.69 3huj h LEU 66 Ca -0.05 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3huj h LEU 66 Cb 0.46 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3huj h LEU 66 CO 0.08 0.14 -0.07 -0.61 -0.34 0.00 0.00 178.44 177.63 3huj h GLN 67 N 0.28 -0.20 -0.96 1.25 5.75 -0.34 -2.28 115.11 118.62 3huj h GLN 67 Ca 0.33 0.01 0.16 0.00 -0.15 0.00 0.00 58.65 59.00 3huj h GLN 67 Cb 0.89 0.05 -0.10 0.00 1.07 0.00 0.00 27.48 29.39 3huj h GLN 67 CO -0.08 0.20 0.57 1.25 -2.65 0.00 0.00 178.83 178.12 3huj h HIS 68 N -0.67 1.01 -0.65 3.99 2.76 -0.58 -1.28 115.15 119.72 3huj h HIS 68 Ca -0.02 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.21 3huj h HIS 68 Cb 0.49 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 29.11 3huj h HIS 68 CO 0.06 0.29 0.41 0.82 -1.30 0.00 0.00 177.93 178.20 3huj h ILE 69 N 0.79 1.09 -0.51 6.26 2.04 -1.23 -2.70 117.51 123.26 3huj h ILE 69 Ca 0.52 -0.27 -0.11 0.00 1.00 0.00 0.00 64.86 65.99 3huj h ILE 69 Cb 0.70 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3huj h ILE 69 CO -0.34 0.15 -0.13 -0.26 0.00 0.00 0.00 178.15 177.57 3huj h PHE 70 N 0.80 1.07 0.37 1.37 0.05 -0.67 -2.22 116.94 117.71 3huj h PHE 70 Ca 0.26 -0.22 -0.00 0.00 3.82 0.00 0.00 57.97 61.83 3huj h PHE 70 Cb 0.01 -0.26 -0.02 0.00 2.00 0.00 0.00 35.95 37.68 3huj h PHE 70 CO -0.05 1.01 -0.35 -0.09 -0.18 0.00 0.00 178.31 178.66 3huj h ARG 71 N 0.85 -0.71 -0.40 1.51 2.43 -1.03 -0.79 114.38 116.24 3huj h ARG 71 Ca 0.13 0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 3huj h ARG 71 Cb 0.68 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 3huj h ARG 71 CO 0.05 -0.47 0.04 0.28 -1.51 0.00 0.00 179.97 178.36 3huj h VAL 72 N -0.74 1.21 -0.61 0.20 2.07 -1.55 -2.91 116.25 113.92 3huj h VAL 72 Ca -0.03 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3huj h VAL 72 Cb 0.66 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3huj h VAL 72 CO -0.05 0.28 0.36 0.22 0.02 0.00 0.00 177.57 178.40 3huj h TYR 73 N 0.60 0.81 -0.08 1.57 3.20 -0.97 0.98 116.97 123.08 3huj h TYR 73 Ca 0.13 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3huj h TYR 73 Cb 0.32 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 3huj h TYR 73 CO 0.01 0.56 -0.02 -0.09 -1.64 0.00 0.00 178.16 176.98 3huj h ARG 74 N 0.82 0.16 -0.37 1.82 2.43 -1.00 -0.49 114.38 117.74 3huj h ARG 74 Ca 0.22 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 3huj h ARG 74 Cb -0.01 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3huj h ARG 74 CO -0.04 0.48 -0.01 1.03 -1.51 0.00 0.00 179.97 179.92 3huj h SER 75 N -0.18 0.56 0.40 -3.80 0.87 -1.45 -2.04 113.55 107.92 3huj h SER 75 Ca 0.02 -0.12 -0.32 0.00 -1.23 0.00 0.00 61.79 60.15 3huj h SER 75 Cb 0.42 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3huj h SER 75 CO 0.01 0.64 -1.53 0.28 -0.53 0.00 0.00 176.83 175.70 3huj h SER 76 N 0.56 0.51 -0.48 6.23 0.02 -0.77 -3.13 113.55 116.48 3huj h SER 76 Ca 0.12 -0.66 0.08 0.00 -0.84 0.00 0.00 61.79 60.48 3huj h SER 76 Cb 0.38 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 3huj h SER 76 CO 0.01 1.54 0.12 0.15 -1.14 0.00 0.00 176.83 177.51 3huj h PHE 77 N 0.09 0.20 -0.30 3.45 3.04 -1.06 0.45 116.94 122.81 3huj h PHE 77 Ca -0.25 0.03 0.05 0.00 3.98 0.00 0.00 57.97 61.77 3huj h PHE 77 Cb 2.05 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 40.50 3huj h PHE 77 CO 0.08 0.03 0.04 1.15 -2.02 0.00 0.00 178.31 177.59 3huj h THR 78 N 0.27 0.83 -0.38 4.41 2.02 -1.43 -1.12 112.91 117.51 3huj h THR 78 Ca 0.24 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.29 3huj h THR 78 Cb 0.30 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3huj h THR 78 CO -0.29 0.03 -0.09 -0.09 0.37 0.00 0.00 175.52 175.45 3huj h ARG 79 N 0.14 0.72 0.39 6.66 1.12 -1.45 -2.84 114.38 119.14 3huj h ARG 79 Ca 0.14 -0.28 -0.02 0.00 -1.11 0.00 0.00 59.98 58.72 3huj h ARG 79 Cb 0.16 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.08 3huj h ARG 79 CO -0.20 0.87 -0.19 -0.44 -3.11 0.00 0.00 179.97 176.90 3huj h ASP 80 N 0.53 -0.44 -0.70 -3.80 3.32 -0.47 -0.60 116.42 114.26 3huj h ASP 80 Ca 0.10 -0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.28 3huj h ASP 80 Cb 0.60 0.11 -0.12 0.00 0.22 0.00 0.00 39.33 40.15 3huj h ASP 80 CO 0.04 -0.28 0.03 0.58 -1.72 0.00 0.00 179.24 177.89 3huj h VAL 81 N -0.57 0.43 -0.84 -1.35 2.07 -1.31 0.20 116.25 114.88 3huj h VAL 81 Ca -0.05 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.44 3huj h VAL 81 Cb 0.43 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 3huj h VAL 81 CO 0.09 0.02 0.55 0.11 0.02 0.00 0.00 177.57 178.36 3huj h LYS 82 N 0.13 1.06 -0.24 1.57 1.57 -1.16 -0.72 116.57 118.79 3huj h LYS 82 Ca 0.38 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.98 3huj h LYS 82 Cb 0.64 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3huj h LYS 82 CO -0.59 0.70 -0.34 0.93 -0.57 0.00 0.00 179.45 179.59 3huj h GLU 83 N 1.09 0.51 -0.79 3.15 4.39 0.24 -2.80 114.58 120.38 3huj h GLU 83 Ca 0.32 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 3huj h GLU 83 Cb -0.06 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 3huj h GLU 83 CO -0.09 0.79 0.39 0.74 -1.16 0.00 0.00 179.01 179.68 3huj h PHE 84 N 0.44 1.12 -0.63 4.33 0.05 0.08 -0.20 116.94 122.13 3huj h PHE 84 Ca 0.05 -0.04 0.02 0.00 3.82 0.00 0.00 57.97 61.81 3huj h PHE 84 Cb 0.80 -0.35 -0.04 0.00 2.00 0.00 0.00 35.95 38.37 3huj h PHE 84 CO 0.03 0.80 0.40 0.00 -0.18 0.00 0.00 178.31 179.36 3huj h ALA 85 N 1.31 0.81 -0.30 2.45 0.00 -0.91 0.44 119.26 123.06 3huj h ALA 85 Ca 0.28 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3huj h ALA 85 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3huj h ALA 85 CO -0.04 0.18 0.06 0.87 0.00 0.00 0.00 179.25 180.32 3huj h LYS 86 N 0.80 0.49 0.35 0.00 1.57 -1.27 -2.47 116.57 116.04 3huj h LYS 86 Ca 0.24 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3huj h LYS 86 Cb -0.04 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3huj h LYS 86 CO -0.08 0.58 -0.17 1.98 -0.57 0.00 0.00 179.45 181.20 3huj h MET 87 N 0.32 -0.45 -0.78 3.15 4.05 -0.60 -3.29 114.93 117.33 3huj h MET 87 Ca 0.09 0.03 -0.11 0.00 -0.28 0.00 0.00 59.70 59.44 3huj h MET 87 Cb 0.32 0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 31.16 3huj h MET 87 CO 0.00 -0.18 0.13 1.28 0.23 0.00 0.00 176.91 178.37 3huj n LEU 88 N -5.21 4.81 -4.21 3.39 4.77 0.15 -4.93 117.00 115.77 3huj n LEU 88 Ca -0.10 -2.48 -0.34 0.00 -0.03 0.00 0.00 56.01 53.07 3huj n LEU 88 Cb 0.25 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 3huj n LEU 88 CO 0.33 0.63 -0.39 -1.14 -1.33 0.00 0.00 177.39 175.48 3huj n ARG 89 N 0.13 -0.78 -3.92 3.23 3.00 -1.07 -4.94 116.66 112.31 3huj n ARG 89 Ca 0.27 0.07 -0.32 0.00 -0.00 0.00 0.00 57.85 57.87 3huj n ARG 89 Cb 1.06 -3.18 -0.05 0.00 0.00 0.00 0.00 32.46 30.29 3huj n ARG 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3huj s LEU 90 N -7.27 4.33 -0.16 6.15 1.43 -0.95 -5.08 118.68 117.13 3huj s LEU 90 Ca 0.11 0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 53.45 3huj s LEU 90 Cb -0.06 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 3huj s LEU 90 CO 0.96 0.21 0.01 -0.44 0.23 0.00 0.00 176.35 177.33 3huj s SER 91 N -2.23 5.25 0.58 2.29 0.01 -1.26 -4.78 113.70 113.56 3huj s SER 91 Ca 0.31 0.01 -0.20 0.00 1.31 0.00 0.00 55.95 57.38 3huj s SER 91 Cb -0.13 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 3huj s SER 91 CO 0.23 0.21 1.28 -0.31 0.41 0.00 0.00 173.24 175.06 3huj s TYR 92 N 0.15 2.31 0.47 2.43 1.51 -1.26 -4.45 117.35 118.51 3huj s TYR 92 Ca 0.02 1.46 -0.19 0.00 -1.01 0.00 0.00 57.07 57.35 3huj s TYR 92 Cb -0.13 -3.64 -0.09 0.00 -0.11 0.00 0.00 41.96 37.98 3huj s TYR 92 CO 0.02 -2.59 0.97 -2.14 -1.11 0.00 0.00 175.55 170.70 3huj s PRO 93 N -3.15 4.09 -0.05 -1.71 0.02 -1.26 -5.03 135.00 127.92 3huj s PRO 93 Ca 0.76 1.05 0.06 0.00 0.02 0.00 0.00 61.00 62.88 3huj s PRO 93 Cb -0.36 -2.16 -0.01 0.00 0.02 0.00 0.00 34.50 32.00 3huj s PRO 93 CO 0.40 -0.15 -0.23 -0.51 -0.33 0.00 0.00 177.00 176.18 3huj s LEU 94 N -3.60 2.02 -0.16 -5.54 1.43 0.20 -4.99 118.68 108.04 3huj s LEU 94 Ca 0.61 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3huj s LEU 94 Cb -0.10 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.89 3huj s LEU 94 CO 0.22 0.22 -0.16 -1.61 0.23 0.00 0.00 176.35 175.24 3huj s GLU 95 N -0.13 3.15 0.05 1.70 0.41 -1.26 0.07 118.70 122.69 3huj s GLU 95 Ca -0.03 -0.77 0.09 0.00 -0.41 0.00 0.00 54.97 53.85 3huj s GLU 95 Cb -0.13 -2.61 -0.03 0.00 -1.78 0.00 0.00 34.13 29.58 3huj s GLU 95 CO 0.03 -0.05 -0.26 -0.51 -0.49 0.00 0.00 175.26 173.98 3huj s LEU 96 N 0.97 2.18 -0.00 1.80 1.02 0.38 -1.86 118.68 123.15 3huj s LEU 96 Ca -0.03 -0.59 0.01 0.00 0.02 0.00 0.00 54.13 53.54 3huj s LEU 96 Cb -0.15 -1.24 0.00 0.00 0.02 0.00 0.00 46.19 44.83 3huj s LEU 96 CO -0.03 0.24 -0.02 -1.10 0.02 0.00 0.00 176.35 175.46 3huj s GLN 97 N -1.30 0.19 -0.05 1.70 -0.21 -0.96 -0.63 119.66 118.40 3huj s GLN 97 Ca 0.11 -0.06 0.04 0.00 0.02 0.00 0.00 55.36 55.47 3huj s GLN 97 Cb -0.10 -0.21 -0.00 0.00 1.00 0.00 0.00 33.01 33.70 3huj s GLN 97 CO 0.02 0.03 -0.18 0.08 -2.12 0.00 0.00 175.29 173.12 3huj s VAL 98 N 0.08 1.54 -0.24 1.09 1.01 -0.70 -1.11 120.40 122.06 3huj s VAL 98 Ca -0.00 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3huj s VAL 98 Cb -0.02 -1.33 0.05 0.00 0.00 0.00 0.00 36.38 35.08 3huj s VAL 98 CO -0.00 0.44 -0.10 -0.55 0.00 0.00 0.00 175.10 174.89 3huj s SER 99 N 0.11 4.06 -0.02 3.32 0.15 -0.36 -0.70 113.70 120.27 3huj s SER 99 Ca -0.07 -1.22 0.02 0.00 0.70 0.00 0.00 55.95 55.38 3huj s SER 99 Cb -0.13 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 3huj s SER 99 CO 0.03 -0.18 -0.06 0.00 1.20 0.00 0.00 173.24 174.23 3huj s ALA 100 N 1.22 0.64 0.00 5.45 0.00 0.32 -0.92 121.76 128.48 3huj s ALA 100 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.68 3huj s ALA 100 Cb -0.19 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.68 3huj s ALA 100 CO -0.06 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.20 3huj n GLY 101 N 3.30 -0.52 3.45 0.00 0.00 -0.53 0.49 105.19 111.38 3huj n GLY 101 Ca -0.18 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 3huj n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huj s GLU 103 N -3.38 2.16 0.20 0.00 -1.05 -0.55 -1.21 118.70 114.88 3huj s GLU 103 Ca 0.01 -0.54 -0.30 0.00 -0.15 0.00 0.00 54.97 53.99 3huj s GLU 103 Cb -0.01 -1.85 -0.08 0.00 -0.44 0.00 0.00 34.13 31.75 3huj s GLU 103 CO -0.10 -0.07 1.14 0.08 0.95 0.00 0.00 175.26 177.26 3huj s VAL 104 N 1.01 3.65 0.46 1.83 1.01 -1.26 -2.52 120.40 124.58 3huj s VAL 104 Ca -0.06 1.46 0.03 0.00 0.00 0.00 0.00 61.98 63.41 3huj s VAL 104 Cb -0.15 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.33 3huj s VAL 104 CO -0.02 0.27 0.27 1.41 0.00 0.00 0.00 175.10 177.03 3huj n HIS 105 N 2.14 -0.31 -1.61 5.22 8.25 -0.09 -4.86 115.22 123.97 3huj n HIS 105 Ca 0.02 -2.03 -0.54 0.00 -0.26 0.00 0.00 57.72 54.91 3huj n HIS 105 Cb 0.45 -0.36 -0.07 0.00 1.12 0.00 0.00 29.99 31.13 3huj n HIS 105 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3huj n PRO 106 N -1.48 1.29 0.00 -0.41 -0.04 -1.26 -4.43 135.00 128.67 3huj n PRO 106 Ca -0.06 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 3huj n PRO 106 Cb 0.54 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 3huj n PRO 106 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3huj n GLY 107 N 5.05 -0.59 2.26 0.55 0.00 -1.26 -4.36 105.19 106.84 3huj n GLY 107 Ca 0.31 -1.34 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 3huj n GLY 107 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3huj n ASN 108 N 0.58 6.34 -4.32 1.61 6.94 -1.26 -4.90 115.26 120.24 3huj n ASN 108 Ca 0.00 -3.08 -0.28 0.00 -0.02 0.00 0.00 54.58 51.20 3huj n ASN 108 Cb 0.00 -1.20 -0.14 0.00 -2.36 0.00 0.00 39.78 36.08 3huj n ASN 108 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3huj s ALA 109 N -1.46 2.09 -0.24 -2.53 0.00 -1.26 -5.07 121.76 113.29 3huj s ALA 109 Ca 0.51 -1.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.06 3huj s ALA 109 Cb 0.33 -0.38 0.07 0.00 0.00 0.00 0.00 23.12 23.14 3huj s ALA 109 CO -0.13 0.47 0.61 0.45 0.00 0.00 0.00 175.76 177.16 3huj s SER 110 N -1.52 -0.79 -0.25 0.00 0.15 -1.26 -0.91 113.70 109.11 3huj s SER 110 Ca 0.10 1.32 -0.12 0.00 0.70 0.00 0.00 55.95 57.95 3huj s SER 110 Cb -0.10 1.21 -0.05 0.00 -1.71 0.00 0.00 66.02 65.38 3huj s SER 110 CO 0.03 -0.22 0.22 0.20 1.20 0.00 0.00 173.24 174.67 3huj s ASN 111 N 1.36 6.14 0.37 5.45 0.01 -1.05 -4.98 114.94 122.24 3huj s ASN 111 Ca -0.08 0.14 0.08 0.00 -0.71 0.00 0.00 52.86 52.29 3huj s ASN 111 Cb -0.06 -2.14 -0.05 0.00 0.41 0.00 0.00 41.25 39.41 3huj s ASN 111 CO -0.15 -0.02 0.08 0.54 -1.51 0.00 0.00 177.10 176.04 3huj s ASN 112 N 1.36 4.29 0.04 -1.22 2.20 -1.26 -1.48 114.94 118.87 3huj s ASN 112 Ca 0.10 -1.02 -0.25 0.00 -0.94 0.00 0.00 52.86 50.74 3huj s ASN 112 Cb -0.15 -0.53 0.06 0.00 -2.00 0.00 0.00 41.25 38.64 3huj s ASN 112 CO 0.08 -0.36 0.59 0.72 -2.94 0.00 0.00 177.10 175.19 3huj s PHE 113 N -2.55 -0.52 -0.38 1.54 -0.71 0.03 -4.97 117.98 110.42 3huj s PHE 113 Ca 0.37 0.65 0.06 0.00 -1.04 0.00 0.00 56.93 56.97 3huj s PHE 113 Cb 0.02 0.41 0.17 0.00 -1.21 0.00 0.00 43.02 42.41 3huj s PHE 113 CO 0.21 -0.67 0.53 0.12 -1.34 0.00 0.00 175.22 174.06 3huj s PHE 114 N -2.32 -1.21 -0.04 3.49 5.99 -1.25 -1.46 117.98 121.18 3huj s PHE 114 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 56.93 56.82 3huj s PHE 114 Cb -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 43.02 43.02 3huj s PHE 114 CO -0.00 -1.09 -0.01 -1.01 -0.00 0.00 0.00 175.22 173.11 3huj s HIS 115 N 1.82 3.10 -0.02 10.12 3.76 -0.09 -1.51 115.29 132.47 3huj s HIS 115 Ca 0.15 0.12 0.03 0.00 -0.15 0.00 0.00 55.06 55.22 3huj s HIS 115 Cb -0.09 -1.72 -0.00 0.00 1.11 0.00 0.00 32.58 31.88 3huj s HIS 115 CO -0.09 0.45 -0.11 0.14 -0.85 0.00 0.00 174.74 174.28 3huj s VAL 116 N -0.98 0.91 0.08 -0.90 -7.23 -0.22 -1.22 120.40 110.84 3huj s VAL 116 Ca 0.16 -0.47 0.08 0.00 -1.81 0.00 0.00 61.98 59.95 3huj s VAL 116 Cb -0.11 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 3huj s VAL 116 CO 0.06 0.26 -0.20 0.00 -0.31 0.00 0.00 175.10 174.92 3huj s ALA 117 N -0.11 2.58 -0.09 1.32 0.00 -0.27 -1.23 121.76 123.96 3huj s ALA 117 Ca 0.02 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.71 3huj s ALA 117 Cb -0.06 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.42 3huj s ALA 117 CO -0.00 0.58 -0.17 0.12 0.00 0.00 0.00 175.76 176.29 3huj s PHE 118 N -1.02 1.99 -1.17 0.00 5.36 0.59 -2.27 117.98 121.46 3huj s PHE 118 Ca 0.16 -0.85 -0.09 0.00 -0.96 0.00 0.00 56.93 55.18 3huj s PHE 118 Cb -0.10 -1.40 0.07 0.00 -0.34 0.00 0.00 43.02 41.25 3huj s PHE 118 CO 0.07 -0.41 0.40 1.04 -1.46 0.00 0.00 175.22 174.86 3huj n GLN 119 N 3.90 -2.96 -0.12 10.12 1.13 -0.78 -1.66 117.38 127.02 3huj n GLN 119 Ca -0.20 0.39 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 3huj n GLN 119 Cb 0.52 -5.05 0.00 0.00 0.11 0.00 0.00 30.24 25.82 3huj n GLN 119 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3huj n GLY 120 N -1.05 0.55 3.13 1.08 0.00 -1.26 -5.06 105.19 102.59 3huj n GLY 120 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3huj n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huj s LYS 121 N -0.84 2.46 -0.05 1.61 1.02 -0.66 -5.03 119.74 118.25 3huj s LYS 121 Ca 0.00 -0.67 -0.39 0.00 0.02 0.00 0.00 55.97 54.92 3huj s LYS 121 Cb 0.00 -1.93 -0.18 0.00 -0.52 0.00 0.00 37.83 35.20 3huj s LYS 121 CO 0.00 0.10 1.32 -0.25 -0.92 0.00 0.00 175.35 175.60 3huj n ASP 122 N 3.70 1.12 -0.04 2.83 8.00 -1.26 -0.30 116.55 130.60 3huj n ASP 122 Ca -0.21 1.13 -0.07 0.00 0.71 0.00 0.00 54.79 56.36 3huj n ASP 122 Cb 0.52 -1.06 -0.03 0.00 -0.02 0.00 0.00 41.12 40.53 3huj n ASP 122 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3huj n ILE 123 N 2.57 0.43 -3.97 0.53 -5.35 -0.36 -4.53 119.36 108.67 3huj n ILE 123 Ca 0.21 -0.13 -0.10 0.00 -0.27 0.00 0.00 62.75 62.47 3huj n ILE 123 Cb 0.12 -1.32 -0.06 0.00 -1.74 0.00 0.00 39.64 36.64 3huj n ILE 123 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 3huj s LEU 124 N -6.09 0.72 0.00 7.28 0.05 -1.16 -0.10 118.68 119.39 3huj s LEU 124 Ca -0.11 -0.90 0.01 0.00 0.05 0.00 0.00 54.13 53.19 3huj s LEU 124 Cb 0.04 1.36 -0.00 0.00 -2.05 0.00 0.00 46.19 45.53 3huj s LEU 124 CO 0.15 -0.97 0.18 -1.54 -0.55 0.00 0.00 176.35 173.62 3huj n SER 125 N -0.28 -0.48 -4.06 1.48 3.41 -0.66 -1.06 113.62 111.98 3huj n SER 125 Ca -0.05 -1.93 -0.32 0.00 -0.26 0.00 0.00 58.87 56.31 3huj n SER 125 Cb 0.63 0.97 -0.15 0.00 -0.26 0.00 0.00 64.21 65.40 3huj n SER 125 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3huj s PHE 126 N -3.36 3.16 -0.34 7.33 5.36 -0.57 -2.36 117.98 127.20 3huj s PHE 126 Ca 0.16 -2.23 -0.08 0.00 -0.96 0.00 0.00 56.93 53.81 3huj s PHE 126 Cb 0.00 -1.90 0.02 0.00 -0.34 0.00 0.00 43.02 40.81 3huj s PHE 126 CO 0.11 -0.87 0.14 -0.65 -1.46 0.00 0.00 175.22 172.50 3huj s GLN 127 N 1.14 2.86 0.00 10.12 1.11 -0.54 -4.49 119.66 129.86 3huj s GLN 127 Ca -0.08 -1.04 0.00 0.00 0.01 0.00 0.00 55.36 54.26 3huj s GLN 127 Cb -0.19 -3.55 0.00 0.00 -1.01 0.00 0.00 33.01 28.26 3huj s GLN 127 CO -0.06 -0.61 0.00 0.41 0.01 0.00 0.00 175.29 175.04 3huj n GLY 128 N 4.91 0.19 0.00 3.09 0.00 -1.26 -2.40 105.19 109.72 3huj n GLY 128 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3huj n GLY 128 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3huj n THR 129 N 0.00 0.00 -3.99 2.61 5.66 -1.26 -4.86 114.28 112.44 3huj n THR 129 Ca 0.00 -0.03 -0.11 0.00 -3.05 0.00 0.00 64.05 60.85 3huj n THR 129 Cb 0.00 0.91 -0.03 0.00 -1.55 0.00 0.00 70.33 69.66 3huj n THR 129 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3huj s SER 130 N -0.08 0.36 0.15 1.09 1.04 -1.01 -4.84 113.70 110.40 3huj s SER 130 Ca 0.00 -1.21 -0.28 0.00 0.48 0.00 0.00 55.95 54.95 3huj s SER 130 Cb 0.00 0.68 -0.07 0.00 0.10 0.00 0.00 66.02 66.73 3huj s SER 130 CO 0.00 -1.34 0.86 0.26 0.98 0.00 0.00 173.24 174.01 3huj s TRP 131 N -3.22 3.88 0.03 5.02 0.52 -1.26 -1.46 118.94 122.44 3huj s TRP 131 Ca 0.24 1.72 0.03 0.00 0.02 0.00 0.00 56.10 58.12 3huj s TRP 131 Cb -0.02 -2.90 -0.02 0.00 -1.15 0.00 0.00 33.47 29.38 3huj s TRP 131 CO 0.14 0.38 -0.10 -1.21 0.02 0.00 0.00 176.95 176.18 3huj s GLU 132 N -0.68 0.71 0.58 4.98 2.02 -1.00 -4.94 118.70 120.37 3huj s GLU 132 Ca 0.40 -0.63 -0.14 0.00 0.02 0.00 0.00 54.97 54.62 3huj s GLU 132 Cb -0.23 -0.64 -0.05 0.00 0.10 0.00 0.00 34.13 33.30 3huj s GLU 132 CO 0.28 0.15 1.02 -1.25 0.02 0.00 0.00 175.26 175.49 3huj s PRO 133 N -1.04 3.61 0.54 0.39 0.04 -1.26 -1.65 135.00 135.63 3huj s PRO 133 Ca -0.02 0.96 -0.17 0.00 0.04 0.00 0.00 61.00 61.82 3huj s PRO 133 Cb -0.07 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 3huj s PRO 133 CO 0.01 -0.55 1.01 0.99 0.04 0.00 0.00 177.00 178.49 3huj s THR 134 N -2.77 4.26 0.27 1.26 2.01 0.85 -4.82 115.64 116.71 3huj s THR 134 Ca 0.59 1.11 -0.02 0.00 0.31 0.00 0.00 61.69 63.68 3huj s THR 134 Cb -0.12 -3.59 0.30 0.00 0.01 0.00 0.00 72.50 69.09 3huj s THR 134 CO 0.41 -0.60 1.64 -0.61 -0.69 0.00 0.00 174.62 174.77 3huj h GLN 135 N 0.83 0.17 -0.05 4.92 4.15 -1.96 -1.78 115.11 121.39 3huj h GLN 135 Ca -0.47 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 58.85 3huj h GLN 135 Cb 1.20 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.85 3huj h GLN 135 CO 0.60 0.11 -0.30 0.93 -1.93 0.00 0.00 178.83 178.24 3huj h GLU 136 N 0.17 0.30 0.00 1.69 5.08 -1.92 -3.48 114.58 116.41 3huj h GLU 136 Ca 0.49 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3huj h GLU 136 Cb 0.94 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3huj h GLU 136 CO -0.65 0.90 0.00 0.00 -1.00 0.00 0.00 179.01 178.26 3huj n ALA 137 N -2.51 -0.47 -0.92 3.43 0.00 -0.67 -4.92 120.51 114.45 3huj n ALA 137 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 3huj n ALA 137 Cb 0.50 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.10 3huj n ALA 137 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3huj s PRO 138 N 0.00 1.16 0.00 0.00 0.04 -1.26 -4.95 135.00 130.00 3huj s PRO 138 Ca 0.00 1.23 0.31 0.00 0.04 0.00 0.00 61.00 62.58 3huj s PRO 138 Cb 0.00 -1.77 1.62 0.00 0.04 0.00 0.00 34.50 34.40 3huj s PRO 138 CO 0.00 -2.43 2.07 -0.11 0.04 0.00 0.00 177.00 176.57 3huj n LEU 139 N -4.06 0.42 0.17 -3.56 0.00 -1.26 -2.29 117.00 106.41 3huj n LEU 139 Ca 0.09 -0.11 0.06 0.00 0.00 0.00 0.00 56.01 56.04 3huj n LEU 139 Cb 0.53 -0.03 0.09 0.00 0.00 0.00 0.00 43.42 44.01 3huj n LEU 139 CO 0.52 0.07 0.59 4.11 0.00 0.00 0.00 177.39 182.68 3huj h TRP 140 N 0.64 0.00 -0.29 1.96 5.08 -1.99 -3.19 115.95 118.17 3huj h TRP 140 Ca 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.92 3huj h TRP 140 Cb 0.17 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.31 3huj h TRP 140 CO 0.00 0.34 -0.04 0.28 -1.28 0.00 0.00 178.44 177.74 3huj h VAL 141 N 0.00 1.19 -0.81 0.12 2.07 -1.83 -2.92 116.25 114.07 3huj h VAL 141 Ca -0.00 -0.78 0.10 0.00 0.82 0.00 0.00 66.70 66.83 3huj h VAL 141 Cb 1.24 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 3huj h VAL 141 CO 0.04 0.26 0.46 0.78 0.02 0.00 0.00 177.57 179.13 3huj h ASN 142 N 0.43 0.65 0.38 0.57 2.35 -1.67 0.20 115.58 118.48 3huj h ASN 142 Ca 0.09 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3huj h ASN 142 Cb 0.34 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 3huj h ASN 142 CO 0.01 0.37 -0.22 -0.07 -1.65 0.00 0.00 177.43 175.87 3huj h LEU 143 N 0.76 -0.55 -0.67 1.61 3.38 -1.67 -2.04 115.31 116.15 3huj h LEU 143 Ca 0.39 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.52 3huj h LEU 143 Cb 0.37 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.18 3huj h LEU 143 CO -0.25 -0.36 0.17 0.00 0.09 0.00 0.00 178.44 178.09 3huj h ALA 144 N 0.03 0.84 -0.25 1.53 0.00 -1.21 0.13 119.26 120.32 3huj h ALA 144 Ca -0.04 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3huj h ALA 144 Cb 0.46 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3huj h ALA 144 CO 0.05 -0.30 -0.05 0.82 0.00 0.00 0.00 179.25 179.78 3huj h ILE 145 N 0.29 0.77 -0.69 0.00 1.08 -0.58 -0.62 117.51 117.77 3huj h ILE 145 Ca 0.36 -0.01 0.01 0.00 -0.39 0.00 0.00 64.86 64.84 3huj h ILE 145 Cb 0.56 0.74 -0.04 0.00 -3.07 0.00 0.00 36.82 35.02 3huj h ILE 145 CO -0.44 0.00 0.45 1.56 -0.69 0.00 0.00 178.15 179.04 3huj h GLN 146 N 0.02 0.88 0.11 2.37 4.20 -0.33 -1.01 115.11 121.35 3huj h GLN 146 Ca 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3huj h GLN 146 Cb 0.18 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3huj h GLN 146 CO -0.25 0.58 -0.05 0.28 -0.67 0.00 0.00 178.83 178.72 3huj h VAL 147 N 0.91 0.99 -0.25 -0.54 2.07 -0.74 -3.05 116.25 115.63 3huj h VAL 147 Ca 0.26 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3huj h VAL 147 Cb -0.07 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3huj h VAL 147 CO -0.07 0.09 -0.00 -0.07 0.02 0.00 0.00 177.57 177.54 3huj h LEU 148 N -0.32 0.34 0.00 2.57 3.38 -0.91 -2.51 115.31 117.86 3huj h LEU 148 Ca -0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3huj h LEU 148 Cb 0.26 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3huj h LEU 148 CO 0.03 0.40 0.00 0.59 0.09 0.00 0.00 178.44 179.55 3huj n ASN 149 N -4.33 0.00 0.11 -0.43 3.02 -0.40 -2.55 115.26 110.68 3huj n ASN 149 Ca 0.01 0.40 -0.03 0.00 -0.03 0.00 0.00 54.58 54.92 3huj n ASN 149 Cb 0.21 -0.45 0.14 0.00 -0.61 0.00 0.00 39.78 39.07 3huj n ASN 149 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3huj h GLN 150 N 0.00 0.11 -5.48 3.52 4.20 -1.43 -3.40 115.11 112.63 3huj h GLN 150 Ca 0.00 -0.08 -0.69 0.00 0.06 0.00 0.00 58.65 57.94 3huj h GLN 150 Cb 0.24 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 27.92 3huj h GLN 150 CO 0.00 0.69 1.76 0.34 -0.67 0.00 0.00 178.83 180.95 3huj s ASP 151 N -6.87 6.86 0.23 1.46 3.68 -1.06 -4.82 116.67 116.15 3huj s ASP 151 Ca -0.02 -2.47 -0.07 0.00 2.13 0.00 0.00 52.55 52.12 3huj s ASP 151 Cb 0.12 -2.51 0.30 0.00 -1.45 0.00 0.00 42.92 39.38 3huj s ASP 151 CO 0.78 -1.07 1.83 0.50 0.13 0.00 0.00 175.17 177.34 3huj h LYS 152 N 7.80 0.84 -0.96 4.34 3.64 -1.86 -1.03 116.57 129.34 3huj h LYS 152 Ca 0.36 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.77 3huj h LYS 152 Cb 0.90 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.46 3huj h LYS 152 CO 1.36 0.55 0.62 2.35 -2.27 0.00 0.00 179.45 182.06 3huj h TRP 153 N 0.86 1.09 -0.03 1.91 7.01 -1.98 0.17 115.95 124.99 3huj h TRP 153 Ca 0.34 0.03 -0.21 0.00 2.11 0.00 0.00 58.89 61.17 3huj h TRP 153 Cb 0.18 -0.35 -0.00 0.00 -2.10 0.00 0.00 29.16 26.88 3huj h TRP 153 CO -0.05 0.52 -0.85 1.15 -2.79 0.00 0.00 178.44 176.41 3huj h THR 154 N 1.02 1.41 -0.17 2.65 2.02 -1.62 -1.22 112.91 117.01 3huj h THR 154 Ca 0.44 -2.36 -0.12 0.00 0.77 0.00 0.00 66.41 65.13 3huj h THR 154 Cb 0.33 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 3huj h THR 154 CO -0.19 0.70 -0.41 0.03 0.37 0.00 0.00 175.52 176.02 3huj h ARG 155 N 0.22 0.39 -0.34 6.66 3.08 -0.74 -1.53 114.38 122.12 3huj h ARG 155 Ca -0.06 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 59.68 3huj h ARG 155 Cb 1.46 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.51 3huj h ARG 155 CO 0.14 0.74 -0.26 1.49 -1.07 0.00 0.00 179.97 181.02 3huj h GLU 156 N 0.32 0.78 -0.14 0.04 4.57 -0.57 -1.86 114.58 117.72 3huj h GLU 156 Ca 0.03 -0.38 -0.03 0.00 -1.18 0.00 0.00 59.36 57.80 3huj h GLU 156 Cb 0.86 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3huj h GLU 156 CO 0.07 1.00 -0.04 1.15 -1.18 0.00 0.00 179.01 180.02 3huj h THR 157 N 0.56 1.30 -0.66 0.32 2.02 -1.13 -0.74 112.91 114.57 3huj h THR 157 Ca 0.07 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.21 3huj h THR 157 Cb 0.82 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.88 3huj h THR 157 CO 0.07 0.29 0.29 0.58 0.37 0.00 0.00 175.52 177.13 3huj h VAL 158 N -0.05 1.23 -0.95 3.16 2.07 -1.31 0.35 116.25 120.76 3huj h VAL 158 Ca 0.03 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3huj h VAL 158 Cb 0.47 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 3huj h VAL 158 CO 0.01 0.28 0.58 -0.61 0.02 0.00 0.00 177.57 177.86 3huj h GLN 159 N 0.93 1.28 -0.27 1.57 4.15 -1.33 0.42 115.11 121.87 3huj h GLN 159 Ca 0.23 -0.11 -0.09 0.00 0.77 0.00 0.00 58.65 59.44 3huj h GLN 159 Cb 0.16 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3huj h GLN 159 CO -0.02 0.88 -0.20 2.35 -1.93 0.00 0.00 178.83 179.91 3huj h TRP 160 N 1.30 0.72 -0.04 3.99 7.01 -0.44 -1.47 115.95 127.02 3huj h TRP 160 Ca 0.34 -0.20 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 3huj h TRP 160 Cb -0.07 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 26.83 3huj h TRP 160 CO 0.00 0.90 0.02 -0.07 -2.79 0.00 0.00 178.44 176.50 3huj h LEU 161 N 0.33 0.05 -0.32 0.65 3.38 -0.10 -0.68 115.31 118.62 3huj h LEU 161 Ca 0.05 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.79 3huj h LEU 161 Cb 0.75 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3huj h LEU 161 CO 0.05 0.08 -0.58 -0.07 0.09 0.00 0.00 178.44 178.01 3huj h LEU 162 N 0.01 0.91 0.00 1.67 3.38 -0.94 0.13 115.31 120.47 3huj h LEU 162 Ca 0.01 -0.50 -0.20 0.00 0.09 0.00 0.00 57.88 57.28 3huj h LEU 162 Cb 0.04 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3huj h LEU 162 CO -0.00 1.29 -1.75 -3.20 0.09 0.00 0.00 178.44 174.87 3huj n ASN 163 N -3.99 0.54 -0.01 -0.43 5.15 -0.56 -4.44 115.26 111.53 3huj n ASN 163 Ca -0.05 0.24 -0.05 0.00 -0.60 0.00 0.00 54.58 54.13 3huj n ASN 163 Cb 0.64 0.60 -0.02 0.00 -0.53 0.00 0.00 39.78 40.48 3huj n ASN 163 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3huj n GLY 164 N 1.47 -0.16 0.22 8.20 0.00 -0.34 -4.72 105.19 109.86 3huj n GLY 164 Ca -0.15 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 3huj n GLY 164 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3huj h THR 165 N -0.28 0.62 0.08 2.61 2.02 -1.20 -3.02 112.91 113.74 3huj h THR 165 Ca -0.07 -0.54 0.02 0.00 0.77 0.00 0.00 66.41 66.59 3huj h THR 165 Cb 0.60 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 3huj h THR 165 CO -0.04 0.10 -0.51 0.00 0.37 0.00 0.00 175.52 175.43 3huj h PRO 167 N -0.71 0.53 -0.35 0.00 0.11 -1.78 -0.43 132.00 129.37 3huj h PRO 167 Ca 0.01 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.94 3huj h PRO 167 Cb 0.74 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 3huj h PRO 167 CO -0.30 0.37 -0.34 0.37 -0.21 0.00 0.00 178.00 177.88 3huj h GLN 168 N 0.54 0.78 0.49 1.05 4.15 -1.33 -2.38 115.11 118.42 3huj h GLN 168 Ca 0.14 -0.38 -0.02 0.00 0.77 0.00 0.00 58.65 59.16 3huj h GLN 168 Cb -0.04 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3huj h GLN 168 CO -0.03 1.00 -0.24 0.35 -1.93 0.00 0.00 178.83 177.99 3huj h PHE 169 N 0.65 -0.61 -0.68 3.99 3.57 -0.23 -3.10 116.94 120.53 3huj h PHE 169 Ca 0.07 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.70 3huj h PHE 169 Cb 0.88 0.20 -0.11 0.00 2.79 0.00 0.00 35.95 39.71 3huj h PHE 169 CO 0.05 -0.29 0.04 0.28 -2.23 0.00 0.00 178.31 176.16 3huj h VAL 170 N -0.96 0.45 -1.00 1.41 2.07 -1.13 -0.04 116.25 117.05 3huj h VAL 170 Ca -0.07 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.44 3huj h VAL 170 Cb 0.60 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 3huj h VAL 170 CO 0.11 0.03 0.65 0.28 0.02 0.00 0.00 177.57 178.66 3huj h SER 171 N 0.15 1.09 0.31 0.57 0.02 -1.48 0.20 113.55 114.40 3huj h SER 171 Ca 0.37 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.21 3huj h SER 171 Cb 0.62 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3huj h SER 171 CO -0.56 0.74 -0.43 1.23 -1.14 0.00 0.00 176.83 176.67 3huj h GLY 172 N 1.26 0.17 0.73 -3.77 0.00 -1.17 -2.87 103.07 97.42 3huj h GLY 172 Ca 0.40 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.51 3huj h GLY 172 CO -0.13 0.15 -0.15 1.41 0.00 0.00 0.00 176.54 177.82 3huj h LEU 173 N 0.13 0.37 -1.81 3.11 3.38 0.57 -1.96 115.31 119.10 3huj h LEU 173 Ca 0.01 -0.49 0.16 0.00 0.09 0.00 0.00 57.88 57.65 3huj h LEU 173 Cb 0.81 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3huj h LEU 173 CO 0.06 0.79 0.45 -0.07 0.09 0.00 0.00 178.44 179.76 3huj h LEU 174 N -0.04 0.17 0.14 1.67 3.38 -0.68 -1.10 115.31 118.85 3huj h LEU 174 Ca 0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3huj h LEU 174 Cb 0.69 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3huj h LEU 174 CO 0.04 0.09 -0.07 -0.08 0.09 0.00 0.00 178.44 178.51 3huj h GLU 175 N 0.18 -0.18 0.00 1.13 4.81 -1.31 -3.15 114.58 116.06 3huj h GLU 175 Ca 0.31 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3huj h GLU 175 Cb 0.98 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3huj h GLU 175 CO -0.05 -0.12 0.00 0.66 -0.73 0.00 0.00 179.01 178.77 3huj h SER 176 N -0.65 0.00 -0.55 1.04 4.64 -1.33 -2.87 113.55 113.82 3huj h SER 176 Ca -0.02 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.13 3huj h SER 176 Cb 0.14 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.13 3huj h SER 176 CO 0.03 0.00 0.15 0.61 -0.87 0.00 0.00 176.83 176.75 3huj n GLY 177 N 0.24 4.07 0.20 -0.77 0.00 -0.42 -4.77 105.19 103.74 3huj n GLY 177 Ca 0.01 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 3huj n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3huj h LYS 178 N 2.01 -0.34 -0.99 1.61 1.57 -1.46 -2.55 116.57 116.41 3huj h LYS 178 Ca 0.21 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.07 3huj h LYS 178 Cb 2.01 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 34.33 3huj h LYS 178 CO 0.56 -0.23 0.64 0.77 -0.57 0.00 0.00 179.45 180.62 3huj h SER 179 N -0.36 1.04 1.40 0.86 0.02 -1.86 -2.19 113.55 112.47 3huj h SER 179 Ca -0.01 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 3huj h SER 179 Cb 0.32 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3huj h SER 179 CO -0.02 0.68 -0.39 -0.08 -1.14 0.00 0.00 176.83 175.88 3huj h GLU 180 N 1.18 0.00 0.05 3.45 4.81 -1.91 -3.16 114.58 119.01 3huj h GLU 180 Ca 0.42 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.39 3huj h GLU 180 Cb 0.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3huj h GLU 180 CO -0.16 0.39 -1.28 -0.07 -0.73 0.00 0.00 179.01 177.16 3huj h LEU 181 N 0.00 0.18 -3.64 1.64 3.38 -0.97 -3.29 115.31 112.60 3huj h LEU 181 Ca -0.00 -0.22 -0.25 0.00 0.09 0.00 0.00 57.88 57.50 3huj h LEU 181 Cb 1.19 -0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.74 3huj h LEU 181 CO 0.05 1.18 0.24 2.29 0.09 0.00 0.00 178.44 182.29 3huj n LYS 182 N -3.36 2.81 -2.78 1.13 2.85 -1.03 -5.00 118.16 112.78 3huj n LYS 182 Ca -0.08 -3.07 -0.35 0.00 -1.05 0.00 0.00 58.31 53.76 3huj n LYS 182 Cb 1.00 -2.06 -0.07 0.00 -0.65 0.00 0.00 35.03 33.25 3huj n LYS 182 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3huj s LYS 183 N -3.11 4.38 -0.09 -1.58 2.20 -1.19 -5.05 119.74 115.29 3huj s LYS 183 Ca 0.51 1.24 0.03 0.00 -0.36 0.00 0.00 55.97 57.39 3huj s LYS 183 Cb 0.43 -2.47 0.01 0.00 -1.51 0.00 0.00 37.83 34.29 3huj s LYS 183 CO 0.09 0.09 -0.17 -0.65 -0.36 0.00 0.00 175.35 174.36 3huj s GLN 184 N -2.64 2.26 -0.13 4.03 -1.52 -1.26 -4.11 119.66 116.29 3huj s GLN 184 Ca 0.57 -0.60 0.00 0.00 -1.95 0.00 0.00 55.36 53.38 3huj s GLN 184 Cb -0.14 -1.83 0.02 0.00 -0.22 0.00 0.00 33.01 30.84 3huj s GLN 184 CO 0.19 0.04 -0.12 0.08 -0.25 0.00 0.00 175.29 175.22 3huj s VAL 185 N 0.69 1.37 0.17 1.09 1.01 -0.34 -4.99 120.40 119.40 3huj s VAL 185 Ca -0.13 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 3huj s VAL 185 Cb -0.16 -1.30 -0.08 0.00 0.00 0.00 0.00 36.38 34.84 3huj s VAL 185 CO 0.03 0.42 1.23 -0.54 0.00 0.00 0.00 175.10 176.25 3huj s LYS 186 N 1.46 4.45 0.57 2.72 1.02 -1.26 -2.57 119.74 126.13 3huj s LYS 186 Ca 0.03 1.92 -0.18 0.00 0.02 0.00 0.00 55.97 57.76 3huj s LYS 186 Cb -0.13 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 33.89 3huj s LYS 186 CO -0.08 -0.16 1.08 -1.25 -0.92 0.00 0.00 175.35 174.01 3huj s PRO 187 N -0.01 3.36 -0.05 -1.68 0.04 -1.26 -4.61 135.00 130.79 3huj s PRO 187 Ca 0.55 1.36 -0.02 0.00 0.04 0.00 0.00 61.00 62.92 3huj s PRO 187 Cb -0.33 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 3huj s PRO 187 CO 0.36 -0.80 0.08 0.15 0.04 0.00 0.00 177.00 176.84 3huj s LYS 188 N -3.70 3.16 -0.03 4.56 1.02 -0.40 -4.95 119.74 119.41 3huj s LYS 188 Ca 0.67 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 56.32 3huj s LYS 188 Cb -0.18 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 3huj s LYS 188 CO 0.31 0.69 -0.10 0.00 -0.92 0.00 0.00 175.35 175.33 3huj s ALA 189 N -1.09 0.97 -0.00 5.17 0.00 -1.26 -1.88 121.76 123.66 3huj s ALA 189 Ca 0.19 -0.40 -0.16 0.00 0.00 0.00 0.00 51.96 51.58 3huj s ALA 189 Cb -0.12 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.69 3huj s ALA 189 CO 0.09 0.17 0.35 1.67 0.00 0.00 0.00 175.76 178.04 3huj s TRP 190 N 0.11 -0.21 0.02 0.00 -2.14 -1.02 -5.04 118.94 110.67 3huj s TRP 190 Ca -0.02 0.29 0.09 0.00 2.66 0.00 0.00 56.10 59.11 3huj s TRP 190 Cb -0.08 0.13 -0.03 0.00 -3.10 0.00 0.00 33.47 30.39 3huj s TRP 190 CO 0.01 -0.44 -0.25 -0.48 -2.66 0.00 0.00 176.95 173.12 3huj s LEU 191 N -1.48 2.18 0.00 -4.66 0.05 -1.26 -0.86 118.68 112.64 3huj s LEU 191 Ca -0.11 -0.53 0.00 0.00 0.05 0.00 0.00 54.13 53.54 3huj s LEU 191 Cb -0.04 -1.33 0.00 0.00 -2.05 0.00 0.00 46.19 42.77 3huj s LEU 191 CO 0.03 0.28 0.00 -1.54 -0.55 0.00 0.00 176.35 174.57 3huj n SER 192 N 1.99 0.42 -3.99 1.48 3.41 -0.80 -4.92 113.62 111.21 3huj n SER 192 Ca -0.17 -0.66 -0.22 0.00 -0.26 0.00 0.00 58.87 57.57 3huj n SER 192 Cb 0.52 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.31 3huj n SER 192 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3huj s ARG 193 N -0.98 1.19 -0.13 4.33 3.03 -1.26 -3.06 118.95 122.08 3huj s ARG 193 Ca 0.00 -0.30 0.00 0.00 2.03 0.00 0.00 55.73 57.46 3huj s ARG 193 Cb 0.00 -1.07 0.02 0.00 -1.03 0.00 0.00 34.95 32.88 3huj s ARG 193 CO 0.00 0.04 -0.12 0.20 -1.13 0.00 0.00 175.30 174.30 3huj s GLY 194 N 0.51 0.98 -0.09 3.88 0.00 -1.09 -5.05 107.32 106.45 3huj s GLY 194 Ca -0.09 -0.72 -0.08 0.00 0.00 0.00 0.00 44.72 43.83 3huj s GLY 194 CO 0.02 0.58 0.37 -1.05 0.00 0.00 0.00 173.10 173.02 3huj n PRO 195 N 4.72 0.00 -1.76 2.90 -0.02 -1.26 -4.67 135.00 134.91 3huj n PRO 195 Ca -0.16 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.97 3huj n PRO 195 Cb 0.50 -0.27 0.06 0.00 -0.02 0.00 0.00 33.50 33.77 3huj n PRO 195 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3huj s SER 196 N 0.97 4.77 -0.68 2.55 1.04 -1.26 -4.99 113.70 116.09 3huj s SER 196 Ca 0.21 2.39 -0.16 0.00 0.48 0.00 0.00 55.95 58.87 3huj s SER 196 Cb -0.27 -2.60 0.16 0.00 0.10 0.00 0.00 66.02 63.41 3huj s SER 196 CO 0.13 -1.88 0.67 -2.16 0.98 0.00 0.00 173.24 170.97 3huj s PRO 197 N -3.58 3.27 0.00 4.02 0.04 -1.26 -4.70 135.00 132.79 3huj s PRO 197 Ca 0.76 -1.95 0.00 0.00 0.04 0.00 0.00 61.00 59.86 3huj s PRO 197 Cb -0.30 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 29.86 3huj s PRO 197 CO 0.39 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.47 3huj n GLY 198 N 4.78 1.61 3.85 0.56 0.00 -1.26 -4.22 105.19 110.50 3huj n GLY 198 Ca -0.01 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 3huj n GLY 198 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3huj s PRO 199 N 0.00 3.91 -0.27 1.61 0.04 -1.26 -5.01 135.00 134.01 3huj s PRO 199 Ca 0.00 0.39 -0.01 0.00 0.04 0.00 0.00 61.00 61.42 3huj s PRO 199 Cb 0.00 -2.94 0.14 0.00 0.04 0.00 0.00 34.50 31.74 3huj s PRO 199 CO 0.00 0.50 0.33 0.20 0.04 0.00 0.00 177.00 178.06 3huj s GLY 200 N -1.76 -0.27 0.00 0.56 0.00 -1.26 -5.18 107.32 99.41 3huj s GLY 200 Ca 0.37 0.07 0.00 0.00 0.00 0.00 0.00 44.72 45.16 3huj s GLY 200 CO 0.19 2.69 0.00 -2.13 0.00 0.00 0.00 173.10 173.85 3huj n ARG 201 N 5.33 1.47 -4.58 2.90 0.63 -1.26 -4.69 116.66 116.46 3huj n ARG 201 Ca -0.02 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.64 3huj n ARG 201 Cb 0.48 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.30 3huj n ARG 201 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3huj s LEU 202 N 0.00 2.35 -0.31 6.15 1.43 -1.15 -4.41 118.68 122.73 3huj s LEU 202 Ca 0.00 -1.50 0.17 0.00 -1.03 0.00 0.00 54.13 51.77 3huj s LEU 202 Cb 0.00 -0.55 0.45 0.00 0.03 0.00 0.00 46.19 46.13 3huj s LEU 202 CO 0.00 -0.69 1.28 0.00 0.23 0.00 0.00 176.35 177.17 3huj n LEU 203 N -0.95 0.04 -4.70 1.79 -0.00 -1.26 -4.20 117.00 107.73 3huj n LEU 203 Ca -0.08 -3.22 -0.42 0.00 -0.00 0.00 0.00 56.01 52.29 3huj n LEU 203 Cb 0.66 0.28 -0.03 0.00 -0.00 0.00 0.00 43.42 44.33 3huj n LEU 203 CO 0.42 1.44 0.69 -0.76 -0.00 0.00 0.00 177.39 179.18 3huj s LEU 204 N -3.79 4.30 -0.03 1.47 1.43 -0.70 -2.69 118.68 118.67 3huj s LEU 204 Ca 0.20 1.52 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 3huj s LEU 204 Cb 0.39 -3.49 0.03 0.00 0.03 0.00 0.00 46.19 43.15 3huj s LEU 204 CO -0.07 -0.34 0.00 0.68 0.23 0.00 0.00 176.35 176.86 3huj s VAL 205 N 1.51 0.16 -0.34 -1.59 -7.23 -1.17 -1.02 120.40 110.72 3huj s VAL 205 Ca 0.48 0.10 -0.09 0.00 -1.81 0.00 0.00 61.98 60.66 3huj s VAL 205 Cb -0.19 -0.26 0.02 0.00 0.56 0.00 0.00 36.38 36.51 3huj s VAL 205 CO 0.22 0.14 0.15 0.00 -0.31 0.00 0.00 175.10 175.30 3huj s HIS 207 N 1.51 3.54 -0.12 0.00 3.76 -0.04 -0.70 115.29 123.24 3huj s HIS 207 Ca 0.02 0.88 -0.02 0.00 -0.15 0.00 0.00 55.06 55.79 3huj s HIS 207 Cb -0.19 -2.49 0.04 0.00 1.11 0.00 0.00 32.58 31.05 3huj s HIS 207 CO 0.05 0.25 0.01 0.08 -0.85 0.00 0.00 174.74 174.28 3huj s VAL 208 N 0.33 0.50 0.10 -0.90 1.01 -0.04 -2.43 120.40 118.98 3huj s VAL 208 Ca 0.25 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.10 3huj s VAL 208 Cb -0.15 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 3huj s VAL 208 CO 0.10 0.09 -0.14 -0.94 0.00 0.00 0.00 175.10 174.21 3huj s SER 209 N 1.90 1.84 -0.22 3.32 1.04 -0.79 -0.38 113.70 120.41 3huj s SER 209 Ca 0.03 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.72 3huj s SER 209 Cb -0.14 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.92 3huj s SER 209 CO -0.07 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.64 3huj n GLY 210 N 0.82 0.56 3.80 7.32 0.00 0.13 -1.27 105.19 116.55 3huj n GLY 210 Ca -0.18 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 3huj n GLY 210 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3huj s PHE 211 N -2.01 3.71 -0.15 1.61 -0.71 -1.16 -4.38 117.98 114.89 3huj s PHE 211 Ca 0.00 1.51 -0.10 0.00 -1.04 0.00 0.00 56.93 57.30 3huj s PHE 211 Cb 0.00 -2.70 0.05 0.00 -1.21 0.00 0.00 43.02 39.16 3huj s PHE 211 CO 0.00 0.36 0.37 -0.47 -1.34 0.00 0.00 175.22 174.14 3huj s TYR 212 N -1.46 -0.49 0.65 3.49 5.04 -1.06 -0.79 117.35 122.74 3huj s TYR 212 Ca 0.43 1.11 -0.10 0.00 -2.44 0.00 0.00 57.07 56.06 3huj s TYR 212 Cb -0.18 0.19 0.15 0.00 0.35 0.00 0.00 41.96 42.46 3huj s TYR 212 CO 0.23 -0.27 0.89 -0.35 -1.34 0.00 0.00 175.55 174.70 3huj n PRO 213 N 3.70 -0.80 -0.14 4.97 -0.04 -1.26 -1.20 135.00 140.24 3huj n PRO 213 Ca -0.19 -1.45 -0.08 0.00 -0.04 0.00 0.00 63.50 61.74 3huj n PRO 213 Cb 0.56 -0.89 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 3huj n PRO 213 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3huj h LYS 214 N 0.00 0.60 -6.34 0.54 3.64 -1.96 -3.45 116.57 109.60 3huj h LYS 214 Ca -0.29 -0.07 -0.65 0.00 -1.27 0.00 0.00 60.65 58.37 3huj h LYS 214 Cb 0.81 -0.12 0.05 0.00 -0.41 0.00 0.00 32.23 32.57 3huj h LYS 214 CO 0.21 0.48 0.58 -2.30 -2.27 0.00 0.00 179.45 176.15 3huj n PRO 215 N -4.71 1.49 -3.87 1.90 -0.02 -1.26 -4.95 135.00 123.58 3huj n PRO 215 Ca 0.01 0.54 -0.09 0.00 -2.02 0.00 0.00 63.50 61.93 3huj n PRO 215 Cb 0.08 -2.23 -0.05 0.00 -0.02 0.00 0.00 33.50 31.28 3huj n PRO 215 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3huj s VAL 216 N 0.74 0.03 -0.17 -1.45 0.11 -1.26 -4.64 120.40 113.77 3huj s VAL 216 Ca 0.83 -1.11 -0.05 0.00 -2.93 0.00 0.00 61.98 58.72 3huj s VAL 216 Cb -0.86 -1.79 0.08 0.00 -1.53 0.00 0.00 36.38 32.28 3huj s VAL 216 CO 0.44 -0.16 0.31 0.86 -3.33 0.00 0.00 175.10 173.23 3huj s TRP 217 N -3.93 -0.55 -0.08 1.54 -0.00 -0.86 -5.02 118.94 110.04 3huj s TRP 217 Ca 0.14 0.98 0.00 0.00 -0.00 0.00 0.00 56.10 57.23 3huj s TRP 217 Cb 0.00 0.01 0.02 0.00 -0.00 0.00 0.00 33.47 33.50 3huj s TRP 217 CO 0.01 -0.47 -0.06 0.08 -0.00 0.00 0.00 176.95 176.50 3huj s VAL 218 N 2.47 0.81 -0.01 5.86 1.01 -1.26 -0.66 120.40 128.62 3huj s VAL 218 Ca 0.03 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.83 3huj s VAL 218 Cb -0.13 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 3huj s VAL 218 CO -0.11 0.31 -0.10 -1.59 0.00 0.00 0.00 175.10 173.61 3huj s LYS 219 N 1.34 0.83 -0.26 2.72 -2.85 -0.83 -4.94 119.74 115.75 3huj s LYS 219 Ca -0.03 -0.34 -0.29 0.00 -1.00 0.00 0.00 55.97 54.31 3huj s LYS 219 Cb -0.14 -0.80 0.01 0.00 -2.06 0.00 0.00 37.83 34.85 3huj s LYS 219 CO -0.03 0.19 1.10 -1.58 0.10 0.00 0.00 175.35 175.13 3huj s TRP 220 N -0.14 3.17 0.39 1.78 0.52 -1.26 -1.44 118.94 121.95 3huj s TRP 220 Ca 0.02 1.27 0.08 0.00 0.02 0.00 0.00 56.10 57.49 3huj s TRP 220 Cb -0.05 -3.51 -0.06 0.00 -1.15 0.00 0.00 33.47 28.70 3huj s TRP 220 CO -0.00 -0.81 0.09 -1.64 0.02 0.00 0.00 176.95 174.61 3huj s MET 221 N 3.48 2.12 -0.33 4.98 -1.94 0.28 -2.24 119.30 125.66 3huj s MET 221 Ca 0.47 -1.86 0.01 0.00 -1.71 0.00 0.00 55.69 52.59 3huj s MET 221 Cb -0.15 -1.90 0.14 0.00 2.01 0.00 0.00 34.83 34.94 3huj s MET 221 CO 0.12 -0.01 0.31 0.50 -0.01 0.00 0.00 175.02 175.93 3huj s ARG 222 N -3.80 0.46 2.91 2.03 3.52 -1.00 -1.29 118.95 121.79 3huj s ARG 222 Ca 0.38 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 55.42 3huj s ARG 222 Cb 0.04 -0.76 0.00 0.00 -1.56 0.00 0.00 34.95 32.67 3huj s ARG 222 CO 0.21 -1.11 0.00 0.41 -0.81 0.00 0.00 175.30 173.99 3huj n GLY 223 N 4.77 0.99 0.04 8.12 0.00 -1.26 -2.38 105.19 115.46 3huj n GLY 223 Ca 0.04 0.39 -0.02 0.00 0.00 0.00 0.00 46.02 46.44 3huj n GLY 223 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3huj n GLU 224 N 0.00 1.74 -3.72 1.61 0.28 -1.26 -5.03 120.64 114.25 3huj n GLU 224 Ca 0.00 -0.03 -0.36 0.00 -0.16 0.00 0.00 57.16 56.61 3huj n GLU 224 Cb 0.00 -1.26 -0.07 0.00 1.43 0.00 0.00 31.44 31.54 3huj n GLU 224 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3huj s GLN 225 N -2.40 3.96 -0.76 3.44 -0.21 -1.00 -5.01 119.66 117.67 3huj s GLN 225 Ca -0.05 -0.09 -0.25 0.00 0.02 0.00 0.00 55.36 54.99 3huj s GLN 225 Cb 0.04 -3.34 -0.05 0.00 1.00 0.00 0.00 33.01 30.66 3huj s GLN 225 CO 0.42 0.46 2.03 -1.83 -2.12 0.00 0.00 175.29 174.25 3huj s GLU 226 N -0.13 2.40 -0.29 2.91 4.04 -1.26 -2.37 118.70 123.99 3huj s GLU 226 Ca 0.13 0.24 -0.35 0.00 0.04 0.00 0.00 54.97 55.03 3huj s GLU 226 Cb -0.12 -4.78 -0.11 0.00 0.02 0.00 0.00 34.13 29.14 3huj s GLU 226 CO 0.02 -3.33 2.12 1.04 -1.84 0.00 0.00 175.26 173.27 3huj n GLN 227 N 8.96 1.33 -1.73 -4.83 1.13 -0.95 -4.84 117.38 116.45 3huj n GLN 227 Ca 0.35 0.40 -0.42 0.00 -1.94 0.00 0.00 57.00 55.38 3huj n GLN 227 Cb 0.49 -2.55 -0.03 0.00 0.11 0.00 0.00 30.24 28.26 3huj n GLN 227 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3huj s GLN 228 N 5.74 4.13 0.00 -1.09 -0.21 -1.26 -3.59 119.66 123.38 3huj s GLN 228 Ca 1.06 2.60 0.00 0.00 0.02 0.00 0.00 55.36 59.04 3huj s GLN 228 Cb -0.79 -3.20 0.00 0.00 1.00 0.00 0.00 33.01 30.01 3huj s GLN 228 CO 0.49 -0.77 0.00 0.41 -2.12 0.00 0.00 175.29 173.30 3huj n GLY 229 N 4.04 0.39 3.61 3.09 0.00 -1.26 -5.10 105.19 109.97 3huj n GLY 229 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 3huj n GLY 229 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3huj n THR 230 N 0.00 0.49 -3.66 2.61 -1.04 -1.24 -4.72 114.28 106.73 3huj n THR 230 Ca 0.00 -0.29 -0.38 0.00 -2.04 0.00 0.00 64.05 61.34 3huj n THR 230 Cb 0.00 -2.28 -0.10 0.00 -1.82 0.00 0.00 70.33 66.14 3huj n THR 230 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 3huj s GLN 231 N 5.41 2.36 0.83 -2.82 2.00 -0.36 -4.98 119.66 122.10 3huj s GLN 231 Ca 0.97 -1.97 -0.11 0.00 -2.00 0.00 0.00 55.36 52.25 3huj s GLN 231 Cb -0.48 -3.78 0.09 0.00 0.80 0.00 0.00 33.01 29.64 3huj s GLN 231 CO 0.42 -1.15 1.09 -1.25 -0.50 0.00 0.00 175.29 173.90 3huj s PRO 232 N 0.94 1.78 0.00 1.67 0.04 -1.26 0.02 135.00 138.19 3huj s PRO 232 Ca 0.09 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.12 3huj s PRO 232 Cb -0.23 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3huj s PRO 232 CO -0.03 -1.93 0.00 0.41 0.04 0.00 0.00 177.00 175.49 3huj n GLY 233 N -1.20 2.18 3.81 0.56 0.00 -0.29 -4.83 105.19 105.42 3huj n GLY 233 Ca 0.08 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 3huj n GLY 233 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3huj s ASP 234 N -0.92 7.04 -0.55 1.61 1.01 -1.26 -4.94 116.67 118.66 3huj s ASP 234 Ca 0.00 1.64 -0.28 0.00 0.71 0.00 0.00 52.55 54.62 3huj s ASP 234 Cb 0.00 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.43 3huj s ASP 234 CO 0.00 -0.21 1.38 -0.63 0.21 0.00 0.00 175.17 175.92 3huj s ILE 235 N -1.92 3.83 0.15 0.77 1.09 -1.26 -4.52 121.20 119.33 3huj s ILE 235 Ca 0.56 0.73 -0.18 0.00 -1.10 0.00 0.00 60.65 60.66 3huj s ILE 235 Cb -0.13 -4.46 -0.07 0.00 -1.06 0.00 0.00 42.46 36.74 3huj s ILE 235 CO 0.18 -1.16 0.62 -0.76 -0.10 0.00 0.00 174.94 173.71 3huj s LEU 236 N 5.84 4.40 0.31 2.97 1.43 0.13 -4.87 118.68 128.89 3huj s LEU 236 Ca 0.52 1.25 -0.16 0.00 -1.03 0.00 0.00 54.13 54.71 3huj s LEU 236 Cb -0.10 -3.26 -0.09 0.00 0.03 0.00 0.00 46.19 42.77 3huj s LEU 236 CO 0.26 0.13 0.74 -2.16 0.23 0.00 0.00 176.35 175.55 3huj s PRO 237 N -1.70 4.06 0.32 1.29 0.04 -1.26 -0.42 135.00 137.33 3huj s PRO 237 Ca 0.37 0.72 0.07 0.00 0.04 0.00 0.00 61.00 62.20 3huj s PRO 237 Cb -0.17 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 3huj s PRO 237 CO 0.20 0.20 0.31 -0.80 0.04 0.00 0.00 177.00 176.95 3huj s ASN 238 N -2.15 5.44 0.56 6.66 0.01 -0.03 -4.89 114.94 120.53 3huj s ASN 238 Ca 0.52 -0.41 0.34 0.00 -0.71 0.00 0.00 52.86 52.60 3huj s ASN 238 Cb -0.11 -1.08 1.58 0.00 0.41 0.00 0.00 41.25 42.05 3huj s ASN 238 CO 0.18 -0.32 2.07 0.00 -1.51 0.00 0.00 177.10 177.52 3huj h ALA 239 N 1.22 1.04 -0.59 0.60 0.00 -1.99 -2.51 119.26 117.04 3huj h ALA 239 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3huj h ALA 239 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3huj h ALA 239 CO 0.58 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 3huj n ASP 240 N -3.20 4.49 -1.10 0.00 3.85 -1.26 -4.92 116.55 114.41 3huj n ASP 240 Ca -0.01 -2.45 -0.12 0.00 -0.71 0.00 0.00 54.79 51.51 3huj n ASP 240 Cb 0.25 -0.57 -0.03 0.00 -1.35 0.00 0.00 41.12 39.43 3huj n ASP 240 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3huj n GLU 241 N 0.98 -0.86 -2.92 0.11 1.02 -0.94 -5.04 120.64 112.99 3huj n GLU 241 Ca 0.24 0.73 -0.19 0.00 -0.02 0.00 0.00 57.16 57.92 3huj n GLU 241 Cb 0.85 -4.80 0.03 0.00 -0.02 0.00 0.00 31.44 27.50 3huj n GLU 241 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3huj s THR 242 N -2.50 2.74 0.37 2.62 -4.23 -1.26 -4.89 115.64 108.48 3huj s THR 242 Ca 0.00 -0.91 0.09 0.00 -1.18 0.00 0.00 61.69 59.69 3huj s THR 242 Cb 0.00 -2.83 -0.07 0.00 1.34 0.00 0.00 72.50 70.95 3huj s THR 242 CO 0.00 0.00 -0.03 0.26 -0.54 0.00 0.00 174.62 174.31 3huj s TRP 243 N -2.53 2.48 -0.14 3.99 0.52 0.03 -0.85 118.94 122.43 3huj s TRP 243 Ca 0.57 -0.54 -0.08 0.00 0.02 0.00 0.00 56.10 56.07 3huj s TRP 243 Cb -0.09 -1.55 0.05 0.00 -1.15 0.00 0.00 33.47 30.73 3huj s TRP 243 CO 0.36 0.50 0.35 -0.47 0.02 0.00 0.00 176.95 177.71 3huj s TYR 244 N -2.62 -0.49 -0.01 -1.98 5.04 0.44 0.21 117.35 117.94 3huj s TYR 244 Ca 0.34 1.08 -0.08 0.00 -2.44 0.00 0.00 57.07 55.97 3huj s TYR 244 Cb 0.04 0.18 0.01 0.00 0.35 0.00 0.00 41.96 42.54 3huj s TYR 244 CO 0.18 -0.29 0.16 -0.48 -1.34 0.00 0.00 175.55 173.78 3huj s LEU 245 N 1.22 1.46 -0.08 6.97 2.34 0.49 0.20 118.68 131.27 3huj s LEU 245 Ca -0.08 -0.06 -0.00 0.00 0.06 0.00 0.00 54.13 54.05 3huj s LEU 245 Cb -0.08 0.70 -0.03 0.00 -0.56 0.00 0.00 46.19 46.22 3huj s LEU 245 CO -0.10 -0.31 -0.05 -0.13 -1.06 0.00 0.00 176.35 174.70 3huj s ARG 246 N -1.05 2.87 -0.18 1.48 0.52 -1.26 -0.86 118.95 120.48 3huj s ARG 246 Ca -0.11 -0.52 -0.04 0.00 -0.52 0.00 0.00 55.73 54.54 3huj s ARG 246 Cb -0.06 -2.65 -0.02 0.00 0.52 0.00 0.00 34.95 32.74 3huj s ARG 246 CO 0.01 0.63 -0.04 0.00 0.02 0.00 0.00 175.30 175.93 3huj s ALA 247 N -0.71 2.92 -0.09 2.13 0.00 0.12 -1.14 121.76 125.00 3huj s ALA 247 Ca 0.11 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 3huj s ALA 247 Cb -0.11 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 3huj s ALA 247 CO 0.02 -0.05 -0.03 0.99 0.00 0.00 0.00 175.76 176.69 3huj s THR 248 N 0.82 4.00 -0.07 0.00 2.01 0.10 -0.37 115.64 122.14 3huj s THR 248 Ca -0.01 -0.36 -0.03 0.00 0.31 0.00 0.00 61.69 61.60 3huj s THR 248 Cb -0.15 -2.68 0.04 0.00 0.01 0.00 0.00 72.50 69.73 3huj s THR 248 CO 0.02 0.58 0.15 -0.22 -0.69 0.00 0.00 174.62 174.46 3huj s LEU 249 N -0.65 0.38 -0.36 4.42 2.96 -0.19 -1.22 118.68 124.02 3huj s LEU 249 Ca 0.10 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 3huj s LEU 249 Cb -0.12 0.31 0.11 0.00 0.50 0.00 0.00 46.19 46.99 3huj s LEU 249 CO 0.02 -0.19 0.13 1.51 -1.32 0.00 0.00 176.35 176.50 3huj s ASP 250 N 1.67 4.09 0.47 3.68 3.84 -1.26 -1.71 116.67 127.44 3huj s ASP 250 Ca -0.04 -2.08 0.03 0.00 -0.00 0.00 0.00 52.55 50.47 3huj s ASP 250 Cb -0.12 -1.10 -0.04 0.00 -1.38 0.00 0.00 42.92 40.28 3huj s ASP 250 CO -0.06 -0.36 0.01 -0.69 -0.00 0.00 0.00 175.17 174.08 3huj s VAL 251 N 1.04 1.42 0.06 2.11 1.01 -1.26 -4.86 120.40 119.92 3huj s VAL 251 Ca 0.12 -2.00 -0.37 0.00 0.00 0.00 0.00 61.98 59.74 3huj s VAL 251 Cb -0.20 -2.48 -0.19 0.00 0.00 0.00 0.00 36.38 33.52 3huj s VAL 251 CO -0.14 0.00 1.03 0.52 0.00 0.00 0.00 175.10 176.52 3huj n VAL 252 N -1.13 0.40 -0.33 2.92 0.31 -1.26 -2.95 118.33 116.29 3huj n VAL 252 Ca -0.13 -0.10 0.19 0.00 -0.01 0.00 0.00 64.34 64.29 3huj n VAL 252 Cb 0.67 -0.20 0.44 0.00 -0.91 0.00 0.00 33.84 33.84 3huj n VAL 252 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3huj h ALA 253 N 2.94 2.00 0.00 3.52 0.00 -1.84 -2.52 119.26 123.36 3huj h ALA 253 Ca -0.46 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3huj h ALA 253 Cb 1.41 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3huj h ALA 253 CO 0.66 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.90 3huj n GLY 254 N -1.40 1.29 2.02 0.00 0.00 -1.26 -4.02 105.19 101.82 3huj n GLY 254 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 3huj n GLY 254 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3huj n GLU 255 N 0.30 2.08 -0.33 1.61 -0.58 -0.95 -4.58 120.64 118.19 3huj n GLU 255 Ca 0.00 -2.45 -0.06 0.00 -0.42 0.00 0.00 57.16 54.23 3huj n GLU 255 Cb 0.26 -1.96 0.06 0.00 -0.57 0.00 0.00 31.44 29.23 3huj n GLU 255 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3huj n ALA 256 N -0.72 3.29 -3.59 0.62 0.00 -1.26 -4.47 120.51 114.39 3huj n ALA 256 Ca 0.48 -0.76 -0.04 0.00 0.00 0.00 0.00 53.44 53.12 3huj n ALA 256 Cb 1.25 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 3huj n ALA 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huj s ALA 257 N -0.98 -1.67 0.00 0.00 0.00 -1.26 -4.95 121.76 112.90 3huj s ALA 257 Ca 0.16 1.89 0.00 0.00 0.00 0.00 0.00 51.96 54.01 3huj s ALA 257 Cb 0.13 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.61 3huj s ALA 257 CO 0.03 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.28 3huj n GLY 258 N 5.42 1.79 3.71 0.00 0.00 -1.26 -5.07 105.19 109.78 3huj n GLY 258 Ca -0.09 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3huj n GLY 258 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3huj s LEU 259 N 0.00 4.38 0.17 0.99 1.43 -1.26 -4.44 118.68 119.96 3huj s LEU 259 Ca 0.00 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 3huj s LEU 259 Cb 0.00 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 3huj s LEU 259 CO 0.00 -0.28 0.06 -0.94 0.23 0.00 0.00 176.35 175.42 3huj s SER 260 N 0.90 0.72 -0.19 2.29 1.04 -0.41 -3.02 113.70 115.02 3huj s SER 260 Ca 0.53 -1.25 0.01 0.00 0.48 0.00 0.00 55.95 55.72 3huj s SER 260 Cb -0.23 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.15 3huj s SER 260 CO 0.29 -0.69 -0.15 0.00 0.98 0.00 0.00 173.24 173.66 3huj s ARG 262 N 1.33 4.03 -0.18 0.00 3.00 -0.52 -2.21 118.95 124.39 3huj s ARG 262 Ca 0.02 -0.31 0.01 0.00 0.00 0.00 0.00 55.73 55.45 3huj s ARG 262 Cb -0.15 -3.32 0.02 0.00 0.00 0.00 0.00 34.95 31.50 3huj s ARG 262 CO -0.10 0.22 -0.19 0.08 0.00 0.00 0.00 175.30 175.31 3huj s VAL 263 N 0.55 2.03 -0.22 3.52 1.01 0.33 -1.97 120.40 125.64 3huj s VAL 263 Ca 0.05 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 3huj s VAL 263 Cb -0.12 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 3huj s VAL 263 CO 0.01 0.48 -0.01 -1.59 0.00 0.00 0.00 175.10 173.99 3huj s LYS 264 N 1.29 3.47 0.02 2.72 -2.85 0.17 -1.61 119.74 122.95 3huj s LYS 264 Ca 0.04 -0.58 -0.01 0.00 -1.00 0.00 0.00 55.97 54.42 3huj s LYS 264 Cb -0.14 -3.09 -0.02 0.00 -2.06 0.00 0.00 37.83 32.53 3huj s LYS 264 CO -0.12 -0.17 -0.01 -1.58 0.10 0.00 0.00 175.35 173.57 3huj s HIS 265 N 1.45 0.26 0.44 1.78 2.46 -1.26 -2.03 115.29 118.39 3huj s HIS 265 Ca 0.05 -0.55 0.12 0.00 0.47 0.00 0.00 55.06 55.15 3huj s HIS 265 Cb -0.14 -0.20 0.97 0.00 -0.13 0.00 0.00 32.58 33.08 3huj s HIS 265 CO -0.01 -0.23 2.01 0.66 -2.47 0.00 0.00 174.74 174.70 3huj h SER 266 N 4.41 0.14 -0.74 9.88 4.64 -1.94 -3.12 113.55 126.82 3huj h SER 266 Ca -0.32 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3huj h SER 266 Cb 1.20 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 3huj h SER 266 CO 0.44 0.23 0.45 0.77 -0.87 0.00 0.00 176.83 177.85 3huj h SER 267 N 0.15 0.88 -3.30 4.97 4.64 -1.87 -3.35 113.55 115.67 3huj h SER 267 Ca 0.04 -0.06 -0.60 0.00 -0.47 0.00 0.00 61.79 60.70 3huj h SER 267 Cb 0.21 -0.22 -0.09 0.00 -0.31 0.00 0.00 62.40 61.99 3huj h SER 267 CO 0.01 0.68 0.47 -1.48 -0.87 0.00 0.00 176.83 175.64 3huj s LEU 268 N -10.04 4.08 0.62 5.97 0.05 -1.18 -4.86 118.68 113.31 3huj s LEU 268 Ca -0.13 1.00 0.25 0.00 0.05 0.00 0.00 54.13 55.30 3huj s LEU 268 Cb 0.15 -3.18 1.13 0.00 -2.05 0.00 0.00 46.19 42.24 3huj s LEU 268 CO 0.79 -0.53 1.58 -0.33 -0.55 0.00 0.00 176.35 177.31 3huj h GLU 269 N 7.72 0.00 0.00 1.48 4.39 -1.82 -3.39 114.58 122.97 3huj h GLU 269 Ca -0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.47 3huj h GLU 269 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3huj h GLU 269 CO 0.87 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 179.13 3huj n GLY 270 N -1.54 0.12 3.54 -3.84 0.00 -1.26 -5.05 105.19 97.15 3huj n GLY 270 Ca 0.11 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 3huj n GLY 270 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3huj n GLN 271 N 0.00 0.39 -1.99 1.61 6.02 -1.26 -4.89 117.38 117.26 3huj n GLN 271 Ca 0.00 -0.83 -0.39 0.00 -0.01 0.00 0.00 57.00 55.77 3huj n GLN 271 Cb 0.00 -3.25 0.01 0.00 1.02 0.00 0.00 30.24 28.01 3huj n GLN 271 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3huj s ASP 272 N 8.62 6.05 -0.20 1.08 1.01 -1.26 -4.93 116.67 127.04 3huj s ASP 272 Ca 0.94 2.68 -0.29 0.00 0.71 0.00 0.00 52.55 56.59 3huj s ASP 272 Cb -0.22 -2.64 -0.00 0.00 1.01 0.00 0.00 42.92 41.07 3huj s ASP 272 CO 0.17 -1.03 1.15 -0.63 0.21 0.00 0.00 175.17 175.03 3huj s ILE 273 N -1.29 4.49 -0.16 0.77 -1.09 -0.63 -4.87 121.20 118.41 3huj s ILE 273 Ca 0.61 1.79 0.01 0.00 -2.23 0.00 0.00 60.65 60.83 3huj s ILE 273 Cb -0.38 -4.16 0.02 0.00 -1.58 0.00 0.00 42.46 36.36 3huj s ILE 273 CO 0.48 -0.16 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.16 3huj s VAL 274 N 3.32 1.90 -0.05 2.92 1.01 -1.26 -0.52 120.40 127.72 3huj s VAL 274 Ca 0.49 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3huj s VAL 274 Cb -0.18 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.49 3huj s VAL 274 CO 0.10 0.51 -0.08 -0.76 0.00 0.00 0.00 175.10 174.87 3huj s LEU 275 N 1.24 1.49 0.08 3.92 1.43 -0.94 -4.98 118.68 120.92 3huj s LEU 275 Ca 0.02 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 3huj s LEU 275 Cb -0.13 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 3huj s LEU 275 CO -0.10 -0.01 0.11 -0.31 0.23 0.00 0.00 176.35 176.27 3huj s TYR 276 N 0.79 3.26 -0.73 0.29 2.02 -1.26 -1.09 117.35 120.62 3huj s TYR 276 Ca -0.13 0.11 -0.27 0.00 -0.37 0.00 0.00 57.07 56.41 3huj s TYR 276 Cb -0.15 -1.65 -0.15 0.00 -0.40 0.00 0.00 41.96 39.62 3huj s TYR 276 CO 0.02 0.54 2.52 1.87 -1.57 0.00 0.00 175.55 178.92 3huj n TRP 277 N 0.40 1.01 0.00 2.71 -0.00 -1.17 -5.03 117.44 115.36 3huj n TRP 277 Ca -0.08 0.21 0.00 0.00 -0.00 0.00 0.00 57.50 57.63 3huj n TRP 277 Cb 0.52 -2.44 0.00 0.00 -0.00 0.00 0.00 31.31 29.39 3huj n TRP 277 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41