#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huj n GLN 2 N 0.00 1.75 -4.19 1.20 6.02 -1.26 -4.70 117.38 116.20 3huj n GLN 2 Ca 0.00 -1.19 -0.28 0.00 -0.01 0.00 0.00 57.00 55.52 3huj n GLN 2 Cb 0.00 -1.48 -0.17 0.00 1.02 0.00 0.00 30.24 29.62 3huj n GLN 2 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3huj s VAL 3 N -2.07 1.41 -0.07 5.09 1.01 -1.26 -0.02 120.40 124.48 3huj s VAL 3 Ca 0.33 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.80 3huj s VAL 3 Cb 0.20 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 3huj s VAL 3 CO 0.36 0.43 -0.22 -1.61 0.00 0.00 0.00 175.10 174.05 3huj s GLU 4 N 1.30 2.49 -0.09 2.72 2.02 0.11 -4.55 118.70 122.71 3huj s GLU 4 Ca -0.00 -0.81 -0.00 0.00 0.02 0.00 0.00 54.97 54.17 3huj s GLU 4 Cb -0.14 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 32.03 3huj s GLU 4 CO -0.06 0.27 -0.06 -0.65 0.02 0.00 0.00 175.26 174.79 3huj s GLN 5 N 0.08 2.96 -0.03 1.61 -0.21 -1.26 -0.30 119.66 122.51 3huj s GLN 5 Ca -0.09 -0.53 0.04 0.00 0.02 0.00 0.00 55.36 54.81 3huj s GLN 5 Cb -0.15 -2.67 -0.01 0.00 1.00 0.00 0.00 33.01 31.18 3huj s GLN 5 CO 0.05 0.59 -0.15 0.45 -2.12 0.00 0.00 175.29 174.10 3huj s SER 6 N -0.59 1.87 0.81 5.90 0.15 -1.03 -4.46 113.70 116.35 3huj s SER 6 Ca 0.09 -0.30 -0.08 0.00 0.70 0.00 0.00 55.95 56.37 3huj s SER 6 Cb -0.12 -0.40 0.14 0.00 -1.71 0.00 0.00 66.02 63.94 3huj s SER 6 CO 0.02 0.15 1.12 -2.16 1.20 0.00 0.00 173.24 173.57 3huj s PRO 7 N -0.09 1.39 0.09 5.44 0.05 -1.26 -0.33 135.00 140.28 3huj s PRO 7 Ca 0.00 -0.68 -0.17 0.00 0.05 0.00 0.00 61.00 60.20 3huj s PRO 7 Cb -0.09 -2.12 -0.09 0.00 0.05 0.00 0.00 34.50 32.26 3huj s PRO 7 CO 0.01 -1.77 1.45 1.96 0.05 0.00 0.00 177.00 178.70 3huj h GLN 8 N -0.96 0.56 -3.01 4.56 1.08 -1.88 -3.42 115.11 112.05 3huj h GLN 8 Ca -0.41 -0.25 -0.07 0.00 -1.45 0.00 0.00 58.65 56.47 3huj h GLN 8 Cb 1.26 -0.02 -0.16 0.00 -0.05 0.00 0.00 27.48 28.52 3huj h GLN 8 CO 0.43 0.81 -0.08 -1.54 -0.95 0.00 0.00 178.83 177.51 3huj s SER 9 N -6.25 -0.31 0.03 1.46 1.04 -1.26 -1.95 113.70 106.46 3huj s SER 9 Ca -0.13 0.00 -0.15 0.00 0.48 0.00 0.00 55.95 56.16 3huj s SER 9 Cb 0.08 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.66 3huj s SER 9 CO 0.79 -0.69 0.32 -1.48 0.98 0.00 0.00 173.24 173.15 3huj s LEU 10 N -2.07 0.82 -0.13 2.42 2.34 -0.71 -4.95 118.68 116.40 3huj s LEU 10 Ca -0.05 -0.10 0.02 0.00 0.06 0.00 0.00 54.13 54.07 3huj s LEU 10 Cb -0.01 1.38 0.01 0.00 -0.56 0.00 0.00 46.19 47.02 3huj s LEU 10 CO -0.03 -0.58 -0.19 -0.63 -1.06 0.00 0.00 176.35 173.87 3huj s ILE 11 N -2.23 1.80 0.18 1.48 1.01 -1.26 -1.86 121.20 120.33 3huj s ILE 11 Ca -0.07 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.82 3huj s ILE 11 Cb -0.02 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 3huj s ILE 11 CO -0.01 0.50 -0.11 0.27 0.00 0.00 0.00 174.94 175.59 3huj s ILE 12 N 0.98 1.41 0.37 2.92 -4.36 -0.58 -5.00 121.20 116.93 3huj s ILE 12 Ca -0.05 -2.12 -0.09 0.00 -0.26 0.00 0.00 60.65 58.13 3huj s ILE 12 Cb -0.15 -1.99 -0.06 0.00 1.25 0.00 0.00 42.46 41.51 3huj s ILE 12 CO -0.04 -0.64 0.70 -0.76 0.24 0.00 0.00 174.94 174.45 3huj s LEU 13 N -3.25 3.90 0.71 0.37 1.43 -1.26 -0.67 118.68 119.91 3huj s LEU 13 Ca 0.20 1.00 -0.16 0.00 -1.03 0.00 0.00 54.13 54.15 3huj s LEU 13 Cb 0.02 -3.86 0.03 0.00 0.03 0.00 0.00 46.19 42.40 3huj s LEU 13 CO 0.04 -0.33 1.21 -1.83 0.23 0.00 0.00 176.35 175.67 3huj s GLU 14 N -3.75 2.26 -0.01 1.70 -1.05 -0.28 -3.45 118.70 114.13 3huj s GLU 14 Ca 0.49 1.78 0.00 0.00 -0.15 0.00 0.00 54.97 57.09 3huj s GLU 14 Cb -0.10 -1.85 0.00 0.00 -0.44 0.00 0.00 34.13 31.74 3huj s GLU 14 CO 0.31 -1.75 0.00 0.41 0.95 0.00 0.00 175.26 175.18 3huj n GLY 15 N 0.41 0.47 3.85 -3.83 0.00 0.31 -4.76 105.19 101.64 3huj n GLY 15 Ca 0.14 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 3huj n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huj s LYS 16 N -0.19 3.07 0.03 1.61 -0.14 -1.22 -4.63 119.74 118.27 3huj s LYS 16 Ca 0.00 -0.85 -0.09 0.00 -1.36 0.00 0.00 55.97 53.67 3huj s LYS 16 Cb 0.00 -2.71 -0.05 0.00 -1.68 0.00 0.00 37.83 33.38 3huj s LYS 16 CO 0.00 0.47 0.35 -0.80 -0.76 0.00 0.00 175.35 174.60 3huj s ASN 17 N -3.40 6.61 0.06 2.83 0.01 -1.26 -0.19 114.94 119.60 3huj s ASN 17 Ca 0.32 0.73 -0.04 0.00 -0.71 0.00 0.00 52.86 53.17 3huj s ASN 17 Cb -0.10 -2.16 -0.02 0.00 0.41 0.00 0.00 41.25 39.38 3huj s ASN 17 CO 0.25 0.23 0.05 0.00 -1.51 0.00 0.00 177.10 176.13 3huj s THR 19 N -3.71 1.36 -0.14 0.00 2.01 -1.26 -0.73 115.64 113.17 3huj s THR 19 Ca 0.05 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 61.46 3huj s THR 19 Cb 0.06 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 3huj s THR 19 CO -0.10 0.42 0.05 -0.76 -0.69 0.00 0.00 174.62 173.55 3huj s LEU 20 N 1.30 3.83 0.20 4.42 1.43 -0.35 -4.87 118.68 124.63 3huj s LEU 20 Ca -0.01 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 3huj s LEU 20 Cb -0.14 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 3huj s LEU 20 CO -0.06 0.29 0.33 -1.10 0.23 0.00 0.00 176.35 176.04 3huj s GLN 21 N -0.35 3.44 -0.14 1.70 -1.52 0.55 -0.41 119.66 122.93 3huj s GLN 21 Ca 0.09 -0.68 -0.06 0.00 -1.95 0.00 0.00 55.36 52.75 3huj s GLN 21 Cb -0.12 -2.92 0.07 0.00 -0.22 0.00 0.00 33.01 29.81 3huj s GLN 21 CO 0.02 0.47 0.31 0.00 -0.25 0.00 0.00 175.29 175.84 3huj s ASN 23 N 2.17 3.32 0.05 0.00 0.01 0.59 -0.77 114.94 120.31 3huj s ASN 23 Ca -0.02 -0.41 0.04 0.00 -0.71 0.00 0.00 52.86 51.76 3huj s ASN 23 Cb -0.11 -0.65 -0.02 0.00 0.41 0.00 0.00 41.25 40.88 3huj s ASN 23 CO -0.10 0.30 -0.12 -0.72 -1.51 0.00 0.00 177.10 174.95 3huj s TYR 24 N -0.48 1.07 -1.09 2.20 -0.85 -0.97 0.08 117.35 117.30 3huj s TYR 24 Ca 0.06 -0.42 0.13 0.00 -0.52 0.00 0.00 57.07 56.32 3huj s TYR 24 Cb -0.11 -0.62 -0.02 0.00 0.38 0.00 0.00 41.96 41.58 3huj s TYR 24 CO 0.01 0.02 0.71 0.25 -1.52 0.00 0.00 175.55 175.01 3huj n THR 25 N 1.58 0.00 -1.58 -3.49 -2.24 0.97 -4.77 114.28 104.75 3huj n THR 25 Ca -0.20 -0.34 -0.52 0.00 -2.27 0.00 0.00 64.05 60.72 3huj n THR 25 Cb 0.55 1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.85 3huj n THR 25 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3huj n VAL 26 N -0.36 0.27 -3.77 2.28 0.31 -1.24 -5.02 118.33 110.80 3huj n VAL 26 Ca 0.05 -0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 64.18 3huj n VAL 26 Cb 0.26 -0.76 -0.10 0.00 -0.91 0.00 0.00 33.84 32.33 3huj n VAL 26 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3huj s SER 27 N 0.30 -0.25 0.90 4.52 1.04 -1.26 -4.45 113.70 114.50 3huj s SER 27 Ca 0.82 0.39 -0.12 0.00 0.48 0.00 0.00 55.95 57.52 3huj s SER 27 Cb -0.95 0.50 0.13 0.00 0.10 0.00 0.00 66.02 65.80 3huj s SER 27 CO 0.49 -0.23 1.11 -2.16 0.98 0.00 0.00 173.24 173.42 3huj s PRO 28 N -0.42 1.20 -0.17 4.02 0.04 -1.26 -5.05 135.00 133.36 3huj s PRO 28 Ca -0.05 0.53 -0.02 0.00 0.04 0.00 0.00 61.00 61.50 3huj s PRO 28 Cb -0.04 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 3huj s PRO 28 CO 0.02 -2.21 -0.10 0.12 0.04 0.00 0.00 177.00 174.87 3huj s PHE 29 N -3.10 2.87 -0.12 0.56 5.36 -1.26 -4.36 117.98 117.93 3huj s PHE 29 Ca 0.63 -0.89 -0.13 0.00 -0.96 0.00 0.00 56.93 55.58 3huj s PHE 29 Cb -0.16 -1.96 -0.04 0.00 -0.34 0.00 0.00 43.02 40.51 3huj s PHE 29 CO 0.55 -0.42 -0.26 0.45 -1.46 0.00 0.00 175.22 174.08 3huj n SER 30 N 4.19 1.63 -3.60 6.13 2.88 -0.77 -4.85 113.62 119.24 3huj n SER 30 Ca -0.18 0.27 -0.14 0.00 -1.33 0.00 0.00 58.87 57.49 3huj n SER 30 Cb 0.52 -0.64 -0.06 0.00 -0.75 0.00 0.00 64.21 63.28 3huj n SER 30 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3huj s ASN 31 N -5.78 -0.41 -0.04 -3.46 2.20 -1.17 -3.90 114.94 102.39 3huj s ASN 31 Ca -0.22 0.15 0.06 0.00 -0.94 0.00 0.00 52.86 51.91 3huj s ASN 31 Cb 0.03 0.47 -0.01 0.00 -2.00 0.00 0.00 41.25 39.74 3huj s ASN 31 CO 0.32 -0.70 -0.22 -0.22 -2.94 0.00 0.00 177.10 173.35 3huj s LEU 32 N -1.94 2.01 0.04 3.54 2.96 -0.34 -1.13 118.68 123.82 3huj s LEU 32 Ca -0.06 -0.43 0.08 0.00 -0.22 0.00 0.00 54.13 53.51 3huj s LEU 32 Cb -0.01 -1.17 -0.03 0.00 0.50 0.00 0.00 46.19 45.48 3huj s LEU 32 CO -0.01 0.23 -0.24 -0.13 -1.32 0.00 0.00 176.35 174.88 3huj s ARG 33 N -0.22 1.61 -0.15 1.98 0.52 0.79 -1.17 118.95 122.31 3huj s ARG 33 Ca 0.00 -1.01 -0.03 0.00 -0.52 0.00 0.00 55.73 54.18 3huj s ARG 33 Cb -0.11 -1.74 -0.02 0.00 0.52 0.00 0.00 34.95 33.59 3huj s ARG 33 CO 0.02 0.45 -0.06 -1.58 0.02 0.00 0.00 175.30 174.14 3huj s TRP 34 N -0.78 2.96 0.00 -0.53 0.52 -0.41 -1.27 118.94 119.43 3huj s TRP 34 Ca 0.10 -0.42 0.08 0.00 0.02 0.00 0.00 56.10 55.88 3huj s TRP 34 Cb -0.09 -1.93 -0.02 0.00 -1.15 0.00 0.00 33.47 30.27 3huj s TRP 34 CO 0.02 -0.10 -0.26 0.71 0.02 0.00 0.00 176.95 177.33 3huj s TYR 35 N 0.39 2.32 -0.20 -1.98 2.02 0.00 0.04 117.35 119.95 3huj s TYR 35 Ca -0.06 -0.43 -0.07 0.00 -0.37 0.00 0.00 57.07 56.14 3huj s TYR 35 Cb -0.15 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 3huj s TYR 35 CO 0.04 0.01 0.06 0.21 -1.57 0.00 0.00 175.55 174.30 3huj s LYS 36 N -0.81 3.89 -0.24 -0.62 2.20 0.30 0.02 119.74 124.48 3huj s LYS 36 Ca 0.11 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 3huj s LYS 36 Cb -0.10 -3.22 0.06 0.00 -1.51 0.00 0.00 37.83 33.06 3huj s LYS 36 CO -0.00 0.17 -0.02 -1.14 -0.36 0.00 0.00 175.35 174.00 3huj s GLN 37 N 0.66 1.34 0.21 4.03 0.74 0.28 -0.10 119.66 126.82 3huj s GLN 37 Ca 0.03 -0.92 -0.30 0.00 0.05 0.00 0.00 55.36 54.23 3huj s GLN 37 Cb -0.13 -2.47 -0.08 0.00 1.10 0.00 0.00 33.01 31.42 3huj s GLN 37 CO 0.02 -0.65 1.05 -0.51 -0.55 0.00 0.00 175.29 174.65 3huj s ASP 38 N 1.49 7.37 -0.13 6.67 1.01 -1.26 -1.02 116.67 130.80 3huj s ASP 38 Ca -0.03 2.08 -0.35 0.00 0.71 0.00 0.00 52.55 54.97 3huj s ASP 38 Cb -0.18 -2.61 -0.12 0.00 1.01 0.00 0.00 42.92 41.02 3huj s ASP 38 CO -0.08 -0.10 1.91 0.35 0.21 0.00 0.00 175.17 177.46 3huj n THR 39 N 1.88 0.53 -0.12 -1.27 -2.24 -1.26 -1.06 114.28 110.74 3huj n THR 39 Ca 0.01 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3huj n THR 39 Cb 0.46 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 66.85 3huj n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3huj n GLY 40 N 4.61 0.94 3.16 3.38 0.00 -1.26 -5.08 105.19 110.93 3huj n GLY 40 Ca 0.25 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 3huj n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3huj s ARG 41 N -0.80 0.80 0.64 1.61 0.52 -0.22 -5.15 118.95 116.34 3huj s ARG 41 Ca 0.00 -1.31 -0.17 0.00 -0.52 0.00 0.00 55.73 53.73 3huj s ARG 41 Cb 0.00 -0.15 -0.01 0.00 0.52 0.00 0.00 34.95 35.31 3huj s ARG 41 CO 0.00 -0.03 1.17 0.20 0.02 0.00 0.00 175.30 176.66 3huj s GLY 42 N -2.99 2.48 0.34 -3.53 0.00 -1.26 -4.59 107.32 97.77 3huj s GLY 42 Ca 0.11 0.84 -0.29 0.00 0.00 0.00 0.00 44.72 45.38 3huj s GLY 42 CO -0.05 1.22 1.51 -4.14 0.00 0.00 0.00 173.10 171.63 3huj s PRO 43 N -3.66 4.13 -0.11 2.90 0.02 -1.26 -4.62 135.00 132.40 3huj s PRO 43 Ca 0.73 2.54 -0.01 0.00 0.02 0.00 0.00 61.00 64.29 3huj s PRO 43 Cb -0.27 -3.00 -0.02 0.00 0.02 0.00 0.00 34.50 31.23 3huj s PRO 43 CO 0.37 -0.54 -0.08 0.08 -0.33 0.00 0.00 177.00 176.50 3huj s VAL 44 N -0.72 3.53 -0.07 3.83 1.01 0.86 -4.93 120.40 123.91 3huj s VAL 44 Ca 0.56 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 3huj s VAL 44 Cb -0.46 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 3huj s VAL 44 CO 0.57 0.54 1.27 -0.55 0.00 0.00 0.00 175.10 176.93 3huj s SER 45 N -0.12 6.98 -0.19 3.32 0.15 -1.26 -0.54 113.70 122.04 3huj s SER 45 Ca 0.01 1.86 -0.15 0.00 0.70 0.00 0.00 55.95 58.36 3huj s SER 45 Cb -0.13 -2.55 -0.11 0.00 -1.71 0.00 0.00 66.02 61.52 3huj s SER 45 CO 0.03 -0.66 -0.06 0.18 1.20 0.00 0.00 173.24 173.93 3huj n LEU 46 N 5.59 1.86 -3.89 3.45 4.77 0.11 -4.92 117.00 123.96 3huj n LEU 46 Ca 0.12 0.49 -0.09 0.00 -0.03 0.00 0.00 56.01 56.50 3huj n LEU 46 Cb 0.45 -0.89 -0.08 0.00 -2.33 0.00 0.00 43.42 40.57 3huj n LEU 46 CO 0.56 -0.04 -0.15 0.42 -1.33 0.00 0.00 177.39 176.85 3huj s THR 47 N -2.39 0.14 -0.03 -5.08 -4.23 -1.13 -4.76 115.64 98.16 3huj s THR 47 Ca -0.24 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 3huj s THR 47 Cb 0.05 -1.08 0.02 0.00 1.34 0.00 0.00 72.50 72.83 3huj s THR 47 CO 0.42 -0.61 -0.04 -0.51 -0.54 0.00 0.00 174.62 173.33 3huj s ILE 48 N -3.06 0.45 0.04 2.99 2.07 -1.26 -1.29 121.20 121.14 3huj s ILE 48 Ca -0.01 -0.12 0.03 0.00 -1.41 0.00 0.00 60.65 59.13 3huj s ILE 48 Cb 0.01 -0.46 -0.02 0.00 0.13 0.00 0.00 42.46 42.12 3huj s ILE 48 CO -0.07 0.18 -0.09 -0.04 -1.91 0.00 0.00 174.94 173.02 3huj s MET 49 N 0.62 0.61 0.39 3.50 -1.94 -0.32 -4.98 119.30 117.18 3huj s MET 49 Ca -0.08 -0.71 0.08 0.00 -1.71 0.00 0.00 55.69 53.27 3huj s MET 49 Cb -0.11 -0.47 -0.03 0.00 2.01 0.00 0.00 34.83 36.23 3huj s MET 49 CO -0.00 0.10 0.27 0.95 -0.01 0.00 0.00 175.02 176.33 3huj s THR 50 N -1.12 2.76 0.49 2.05 -4.23 -1.26 -1.20 115.64 113.13 3huj s THR 50 Ca -0.06 -1.50 0.25 0.00 -1.18 0.00 0.00 61.69 59.21 3huj s THR 50 Cb -0.09 -3.02 0.43 0.00 1.34 0.00 0.00 72.50 71.16 3huj s THR 50 CO 0.01 -0.06 1.90 2.19 -0.54 0.00 0.00 174.62 178.12 3huj h PHE 51 N 1.26 0.19 0.00 3.99 -5.15 -1.89 0.12 116.94 115.45 3huj h PHE 51 Ca -0.43 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 3huj h PHE 51 Cb 1.26 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 37.37 3huj h PHE 51 CO 0.57 0.05 0.00 -1.13 -2.00 0.00 0.00 178.31 175.80 3huj n SER 52 N -4.37 0.00 -4.37 -0.68 3.41 -1.26 -4.72 113.62 101.63 3huj n SER 52 Ca 0.17 -0.48 -0.33 0.00 -0.26 0.00 0.00 58.87 57.97 3huj n SER 52 Cb 0.79 -0.15 -0.14 0.00 -0.26 0.00 0.00 64.21 64.45 3huj n SER 52 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3huj s GLU 53 N -2.30 3.41 -0.01 4.33 2.02 0.41 -5.00 118.70 121.56 3huj s GLU 53 Ca 0.34 -0.66 0.22 0.00 0.02 0.00 0.00 54.97 54.89 3huj s GLU 53 Cb 0.19 -2.73 -0.25 0.00 0.10 0.00 0.00 34.13 31.43 3huj s GLU 53 CO 0.38 0.13 0.71 0.27 0.02 0.00 0.00 175.26 176.77 3huj n ASN 54 N 3.79 0.49 -3.80 -0.19 0.23 -1.26 -4.45 115.26 110.06 3huj n ASN 54 Ca -0.18 -0.44 -0.13 0.00 -0.53 0.00 0.00 54.58 53.30 3huj n ASN 54 Cb 0.52 1.45 -0.10 0.00 -2.08 0.00 0.00 39.78 39.57 3huj n ASN 54 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3huj s THR 55 N -3.27 0.04 -0.10 5.53 -1.32 -1.26 -0.64 115.64 114.62 3huj s THR 55 Ca -0.00 -0.35 -0.11 0.00 -1.21 0.00 0.00 61.69 60.02 3huj s THR 55 Cb 0.15 -0.48 0.03 0.00 -1.51 0.00 0.00 72.50 70.69 3huj s THR 55 CO 0.88 -0.19 0.31 -0.54 -2.21 0.00 0.00 174.62 172.87 3huj s LYS 56 N -0.77 0.40 0.05 7.08 -0.14 0.54 -5.00 119.74 121.91 3huj s LYS 56 Ca -0.09 0.35 0.09 0.00 -1.36 0.00 0.00 55.97 54.96 3huj s LYS 56 Cb -0.05 0.19 -0.03 0.00 -1.68 0.00 0.00 37.83 36.27 3huj s LYS 56 CO 0.02 -0.06 -0.24 -1.12 -0.76 0.00 0.00 175.35 173.19 3huj s SER 57 N -0.03 2.86 -0.39 2.83 0.01 -1.26 -0.22 113.70 117.49 3huj s SER 57 Ca -0.02 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 56.70 3huj s SER 57 Cb -0.03 -0.24 0.16 0.00 0.21 0.00 0.00 66.02 66.12 3huj s SER 57 CO 0.01 0.20 0.41 0.21 0.41 0.00 0.00 173.24 174.48 3huj s ASN 58 N -1.29 0.93 1.69 2.44 2.47 0.15 -5.02 114.94 116.31 3huj s ASN 58 Ca 0.10 -1.78 0.00 0.00 0.42 0.00 0.00 52.86 51.60 3huj s ASN 58 Cb -0.09 0.57 0.00 0.00 -1.45 0.00 0.00 41.25 40.28 3huj s ASN 58 CO 0.02 -0.23 0.00 0.61 -3.72 0.00 0.00 177.10 173.79 3huj n GLY 59 N 3.94 3.34 0.42 1.21 0.00 -1.26 -2.10 105.19 110.74 3huj n GLY 59 Ca 0.14 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.08 3huj n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huj n ARG 60 N 13.39 1.53 -3.74 1.61 1.74 -1.26 -4.75 116.66 125.18 3huj n ARG 60 Ca 0.00 -0.82 -0.37 0.00 -0.77 0.00 0.00 57.85 55.89 3huj n ARG 60 Cb 0.00 -1.20 -0.12 0.00 -1.02 0.00 0.00 32.46 30.11 3huj n ARG 60 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3huj s TYR 62 N -1.71 3.10 -0.23 -1.55 2.02 -0.89 -1.12 117.35 116.97 3huj s TYR 62 Ca 0.17 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 3huj s TYR 62 Cb 0.09 -2.26 0.04 0.00 -0.40 0.00 0.00 41.96 39.43 3huj s TYR 62 CO 0.12 -0.36 -0.12 0.99 -1.57 0.00 0.00 175.55 174.61 3huj s THR 63 N 1.62 2.35 -0.13 -0.71 2.01 -0.61 -0.68 115.64 119.50 3huj s THR 63 Ca 0.06 -1.24 -0.15 0.00 0.31 0.00 0.00 61.69 60.67 3huj s THR 63 Cb -0.15 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.10 3huj s THR 63 CO 0.04 0.21 0.37 0.00 -0.69 0.00 0.00 174.62 174.55 3huj s ALA 64 N 1.23 3.57 0.20 7.40 0.00 0.70 -0.93 121.76 133.92 3huj s ALA 64 Ca -0.02 -0.34 0.09 0.00 0.00 0.00 0.00 51.96 51.69 3huj s ALA 64 Cb -0.17 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 3huj s ALA 64 CO -0.07 0.12 -0.09 0.95 0.00 0.00 0.00 175.76 176.66 3huj s THR 65 N 0.30 3.16 -0.00 0.00 -4.23 -0.46 -0.34 115.64 114.08 3huj s THR 65 Ca 0.21 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 3huj s THR 65 Cb -0.14 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.11 3huj s THR 65 CO 0.07 -0.17 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.74 3huj s LEU 66 N -2.99 1.95 -0.24 4.79 2.96 0.19 -2.43 118.68 122.91 3huj s LEU 66 Ca 0.26 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.13 3huj s LEU 66 Cb -0.08 -0.13 0.06 0.00 0.50 0.00 0.00 46.19 46.54 3huj s LEU 66 CO 0.16 0.02 -0.03 -0.62 -1.32 0.00 0.00 176.35 174.55 3huj s ASP 67 N 0.02 3.80 0.35 3.68 -1.08 0.49 -4.44 116.67 119.48 3huj s ASP 67 Ca 0.00 -1.20 0.17 0.00 -0.52 0.00 0.00 52.55 51.00 3huj s ASP 67 Cb -0.02 -1.13 0.57 0.00 -1.46 0.00 0.00 42.92 40.89 3huj s ASP 67 CO -0.00 -0.26 1.69 0.00 0.52 0.00 0.00 175.17 177.12 3huj h ALA 68 N 7.98 0.97 -0.55 3.66 0.00 -1.84 -2.11 119.26 127.36 3huj h ALA 68 Ca -0.17 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 3huj h ALA 68 Cb 1.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3huj h ALA 68 CO 0.41 0.55 0.13 -0.44 0.00 0.00 0.00 179.25 179.90 3huj h ASP 69 N 0.00 0.85 -0.55 0.00 5.19 -1.95 -3.14 116.42 116.81 3huj h ASP 69 Ca -0.00 -0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 3huj h ASP 69 Cb 0.97 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.26 3huj h ASP 69 CO 0.06 0.86 0.00 0.35 -3.12 0.00 0.00 179.24 177.39 3huj n THR 70 N -4.40 1.80 -4.04 0.35 -2.24 -1.18 -4.97 114.28 99.62 3huj n THR 70 Ca 0.02 -1.27 -0.42 0.00 -2.27 0.00 0.00 64.05 60.11 3huj n THR 70 Cb 0.24 0.12 0.02 0.00 -2.10 0.00 0.00 70.33 68.60 3huj n THR 70 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3huj n LYS 71 N 0.81 -0.34 -3.86 -0.78 5.02 -0.95 -4.86 118.16 113.20 3huj n LYS 71 Ca 0.23 0.04 -0.17 0.00 -2.02 0.00 0.00 58.31 56.39 3huj n LYS 71 Cb 0.84 -2.09 -0.16 0.00 -0.02 0.00 0.00 35.03 33.59 3huj n LYS 71 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3huj s GLN 72 N -7.12 0.22 0.18 1.97 2.00 -0.83 -2.29 119.66 113.78 3huj s GLN 72 Ca 0.42 0.13 0.07 0.00 -2.00 0.00 0.00 55.36 53.98 3huj s GLN 72 Cb -0.24 -0.47 -0.04 0.00 0.80 0.00 0.00 33.01 33.06 3huj s GLN 72 CO 0.88 -0.17 -0.14 0.45 -0.50 0.00 0.00 175.29 175.81 3huj s SER 73 N 1.19 2.38 0.02 6.67 0.15 0.05 -0.38 113.70 123.78 3huj s SER 73 Ca -0.07 -0.96 -0.00 0.00 0.70 0.00 0.00 55.95 55.61 3huj s SER 73 Cb -0.13 -0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.05 3huj s SER 73 CO -0.02 -0.17 -0.03 -0.94 1.20 0.00 0.00 173.24 173.28 3huj s SER 74 N -3.07 0.26 -0.30 5.45 1.04 -1.02 -0.46 113.70 115.61 3huj s SER 74 Ca 0.18 -0.55 -0.04 0.00 0.48 0.00 0.00 55.95 56.03 3huj s SER 74 Cb -0.02 0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.25 3huj s SER 74 CO 0.05 -0.33 0.03 -0.22 0.98 0.00 0.00 173.24 173.75 3huj s LEU 75 N -1.61 3.88 -0.27 2.42 2.96 0.46 -1.35 118.68 125.15 3huj s LEU 75 Ca -0.14 -1.06 -0.17 0.00 -0.22 0.00 0.00 54.13 52.54 3huj s LEU 75 Cb -0.08 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 3huj s LEU 75 CO -0.02 -0.24 0.47 -1.00 -1.32 0.00 0.00 176.35 174.24 3huj s HIS 76 N 1.35 3.25 -0.31 5.38 3.76 -0.10 -1.21 115.29 127.40 3huj s HIS 76 Ca -0.02 0.52 -0.12 0.00 -0.15 0.00 0.00 55.06 55.29 3huj s HIS 76 Cb -0.19 -2.70 -0.03 0.00 1.11 0.00 0.00 32.58 30.77 3huj s HIS 76 CO 0.00 -0.30 0.23 0.42 -0.85 0.00 0.00 174.74 174.25 3huj s ILE 77 N 2.25 5.28 -0.10 0.60 1.01 0.09 -1.57 121.20 128.77 3huj s ILE 77 Ca 0.19 0.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.61 3huj s ILE 77 Cb -0.16 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 3huj s ILE 77 CO 0.10 0.10 0.72 -0.89 0.00 0.00 0.00 174.94 174.97 3huj s THR 78 N 1.78 5.02 -0.89 2.92 2.01 -0.28 -2.36 115.64 123.84 3huj s THR 78 Ca 0.07 1.46 -0.05 0.00 0.31 0.00 0.00 61.69 63.48 3huj s THR 78 Cb -0.17 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.28 3huj s THR 78 CO 0.11 0.20 0.73 0.00 -0.69 0.00 0.00 174.62 174.97 3huj n ALA 79 N 4.14 -2.57 -1.62 7.40 0.00 -1.19 -4.82 120.51 121.86 3huj n ALA 79 Ca -0.00 -0.09 -0.49 0.00 0.00 0.00 0.00 53.44 52.86 3huj n ALA 79 Cb 0.51 -2.51 -0.05 0.00 0.00 0.00 0.00 19.45 17.40 3huj n ALA 79 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3huj n SER 80 N -2.34 2.12 -4.72 0.00 3.41 0.74 -4.51 113.62 108.32 3huj n SER 80 Ca -0.09 1.12 -0.29 0.00 -0.26 0.00 0.00 58.87 59.35 3huj n SER 80 Cb 0.58 -1.29 -0.08 0.00 -0.26 0.00 0.00 64.21 63.15 3huj n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3huj s GLN 81 N 0.25 2.12 0.42 4.33 -2.07 -1.26 0.11 119.66 123.56 3huj s GLN 81 Ca 0.78 -2.13 0.08 0.00 -1.82 0.00 0.00 55.36 52.27 3huj s GLN 81 Cb -0.81 -1.73 0.89 0.00 -1.09 0.00 0.00 33.01 30.26 3huj s GLN 81 CO 0.46 -0.21 2.06 -0.07 -1.32 0.00 0.00 175.29 176.21 3huj h LEU 82 N 1.47 0.43 -0.39 2.60 3.38 -1.94 -2.11 115.31 118.75 3huj h LEU 82 Ca -0.43 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3huj h LEU 82 Cb 1.27 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3huj h LEU 82 CO 0.74 0.32 0.00 -1.54 0.09 0.00 0.00 178.44 178.05 3huj n SER 83 N -4.48 0.46 0.01 -0.43 3.41 -1.26 -2.39 113.62 108.94 3huj n SER 83 Ca 0.03 0.60 0.09 0.00 -0.26 0.00 0.00 58.87 59.32 3huj n SER 83 Cb 0.06 -0.70 0.38 0.00 -0.26 0.00 0.00 64.21 63.70 3huj n SER 83 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3huj n ASP 84 N -1.99 0.05 -4.57 4.04 10.43 -0.79 -4.70 116.55 119.01 3huj n ASP 84 Ca 0.03 0.51 -0.40 0.00 2.57 0.00 0.00 54.79 57.50 3huj n ASP 84 Cb 0.24 -0.52 -0.03 0.00 1.84 0.00 0.00 41.12 42.65 3huj n ASP 84 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3huj s SER 85 N -3.10 5.23 0.31 -2.24 0.01 -1.01 -4.85 113.70 108.05 3huj s SER 85 Ca 0.08 1.12 -0.14 0.00 1.31 0.00 0.00 55.95 58.31 3huj s SER 85 Cb 0.11 -2.52 0.06 0.00 0.21 0.00 0.00 66.02 63.88 3huj s SER 85 CO 0.33 -2.26 0.74 0.00 0.41 0.00 0.00 173.24 172.46 3huj n ALA 86 N 12.79 -1.74 -2.71 1.44 0.00 -0.83 -4.82 120.51 124.64 3huj n ALA 86 Ca 0.28 -1.07 -0.37 0.00 0.00 0.00 0.00 53.44 52.28 3huj n ALA 86 Cb 0.50 0.81 -0.07 0.00 0.00 0.00 0.00 19.45 20.69 3huj n ALA 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3huj s SER 87 N -2.89 6.53 -0.21 0.00 0.15 -0.19 -1.02 113.70 116.07 3huj s SER 87 Ca 0.15 0.62 -0.06 0.00 0.70 0.00 0.00 55.95 57.37 3huj s SER 87 Cb -0.04 -2.21 -0.03 0.00 -1.71 0.00 0.00 66.02 62.03 3huj s SER 87 CO 0.09 0.11 0.02 -0.31 1.20 0.00 0.00 173.24 174.35 3huj s TYR 88 N 0.31 3.07 -0.16 3.44 2.02 0.85 -0.56 117.35 126.32 3huj s TYR 88 Ca 0.19 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.50 3huj s TYR 88 Cb -0.14 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.31 3huj s TYR 88 CO 0.06 -0.21 -0.12 0.42 -1.57 0.00 0.00 175.55 174.14 3huj s ILE 89 N 1.02 2.98 -0.22 2.71 1.01 0.10 -1.10 121.20 127.71 3huj s ILE 89 Ca 0.02 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 3huj s ILE 89 Cb -0.14 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 3huj s ILE 89 CO 0.02 0.50 0.29 0.00 0.00 0.00 0.00 174.94 175.75 3huj s VAL 91 N 1.20 0.56 0.01 0.00 0.11 -0.39 0.57 120.40 122.46 3huj s VAL 91 Ca 0.14 -0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 3huj s VAL 91 Cb -0.14 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 3huj s VAL 91 CO 0.06 0.26 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.39 3huj s VAL 92 N 1.35 4.01 -0.04 2.04 1.01 -0.45 -0.15 120.40 128.17 3huj s VAL 92 Ca -0.04 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.30 3huj s VAL 92 Cb -0.13 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 3huj s VAL 92 CO -0.03 0.34 -0.25 -0.55 0.00 0.00 0.00 175.10 174.61 3huj s SER 93 N -1.64 3.03 0.00 3.32 0.15 -0.29 -0.66 113.70 117.61 3huj s SER 93 Ca 0.20 -0.49 0.26 0.00 0.70 0.00 0.00 55.95 56.61 3huj s SER 93 Cb -0.11 -0.64 0.58 0.00 -1.71 0.00 0.00 66.02 64.13 3huj s SER 93 CO 0.11 0.27 1.46 -0.90 1.20 0.00 0.00 173.24 175.37 3huj n ASP 94 N 2.76 1.46 -4.13 5.45 3.85 -1.14 -1.84 116.55 122.96 3huj n ASP 94 Ca -0.17 -1.20 -0.22 0.00 -0.71 0.00 0.00 54.79 52.49 3huj n ASP 94 Cb 0.52 0.19 -0.15 0.00 -1.35 0.00 0.00 41.12 40.33 3huj n ASP 94 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3huj s ARG 95 N -2.39 1.14 0.00 0.11 1.81 -1.26 -4.50 118.95 113.85 3huj s ARG 95 Ca 0.25 -0.58 0.08 0.00 -1.72 0.00 0.00 55.73 53.76 3huj s ARG 95 Cb 0.19 -1.11 0.48 0.00 -0.45 0.00 0.00 34.95 34.06 3huj s ARG 95 CO 0.49 0.30 1.01 0.41 -0.68 0.00 0.00 175.30 176.83 3huj n GLY 96 N 2.53 -0.62 2.32 -3.53 0.00 -1.26 -4.78 105.19 99.86 3huj n GLY 96 Ca -0.15 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 3huj n GLY 96 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3huj n SER 97 N -0.70 2.25 -0.20 1.61 3.41 -1.26 -5.04 113.62 113.68 3huj n SER 97 Ca 0.06 -2.45 0.13 0.00 -0.26 0.00 0.00 58.87 56.35 3huj n SER 97 Cb 0.03 0.40 0.64 0.00 -0.26 0.00 0.00 64.21 65.01 3huj n SER 97 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3huj n THR 98 N -0.75 0.04 1.51 6.66 -2.24 -1.26 -3.99 114.28 114.26 3huj n THR 98 Ca -0.10 -0.12 0.14 0.00 -2.27 0.00 0.00 64.05 61.71 3huj n THR 98 Cb 0.41 -0.07 0.63 0.00 -2.10 0.00 0.00 70.33 69.20 3huj n THR 98 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3huj n LEU 99 N -0.45 0.67 -4.98 3.22 7.94 -1.26 -4.94 117.00 117.21 3huj n LEU 99 Ca 0.18 -0.13 -0.21 0.00 -1.11 0.00 0.00 56.01 54.74 3huj n LEU 99 Cb 0.19 -0.11 0.03 0.00 0.53 0.00 0.00 43.42 44.06 3huj n LEU 99 CO 0.14 0.12 0.20 -0.83 -1.11 0.00 0.00 177.39 175.92 3huj s GLY 100 N -2.29 1.98 0.26 -3.96 0.00 -1.26 -5.03 107.32 97.02 3huj s GLY 100 Ca 0.34 -1.81 -0.16 0.00 0.00 0.00 0.00 44.72 43.09 3huj s GLY 100 CO 0.43 -1.74 0.69 0.50 0.00 0.00 0.00 173.10 172.97 3huj s ARG 103 N -4.47 4.05 -0.17 2.90 0.52 -1.26 -4.92 118.95 115.60 3huj s ARG 103 Ca 0.52 0.66 -0.04 0.00 -0.52 0.00 0.00 55.73 56.35 3huj s ARG 103 Cb -0.05 -2.65 -0.02 0.00 0.52 0.00 0.00 34.95 32.74 3huj s ARG 103 CO 0.32 0.29 -0.03 -0.51 0.02 0.00 0.00 175.30 175.39 3huj s LEU 104 N -2.53 3.21 -0.30 2.53 1.43 -1.26 -2.89 118.68 118.87 3huj s LEU 104 Ca 0.48 -0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 53.32 3huj s LEU 104 Cb -0.13 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 3huj s LEU 104 CO 0.19 0.12 0.10 -0.31 0.23 0.00 0.00 176.35 176.68 3huj s TYR 105 N 0.67 3.15 -0.17 0.29 1.51 0.17 -4.97 117.35 117.99 3huj s TYR 105 Ca -0.02 -0.77 -0.12 0.00 -1.01 0.00 0.00 57.07 55.15 3huj s TYR 105 Cb -0.14 -2.29 -0.05 0.00 -0.11 0.00 0.00 41.96 39.37 3huj s TYR 105 CO 0.02 -0.51 0.23 -0.06 -1.11 0.00 0.00 175.55 174.12 3huj s PHE 106 N 1.55 3.45 0.87 2.71 0.40 -1.26 -1.35 117.98 124.36 3huj s PHE 106 Ca 0.04 0.51 -0.11 0.00 -0.60 0.00 0.00 56.93 56.76 3huj s PHE 106 Cb -0.17 -2.26 0.12 0.00 0.51 0.00 0.00 43.02 41.22 3huj s PHE 106 CO 0.04 0.28 1.10 0.20 0.70 0.00 0.00 175.22 177.54 3huj s GLY 107 N 0.34 1.65 0.48 4.36 0.00 0.19 -4.80 107.32 109.55 3huj s GLY 107 Ca 0.14 0.23 0.24 0.00 0.00 0.00 0.00 44.72 45.33 3huj s GLY 107 CO 0.02 0.66 2.00 -0.09 0.00 0.00 0.00 173.10 175.69 3huj h ARG 108 N -1.55 0.00 0.00 2.90 2.43 -1.88 -3.44 114.38 112.85 3huj h ARG 108 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3huj h ARG 108 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3huj h ARG 108 CO 0.50 0.18 0.00 0.41 -1.51 0.00 0.00 179.97 179.54 3huj n GLY 109 N -0.56 1.69 3.19 2.80 0.00 -1.26 -5.02 105.19 106.03 3huj n GLY 109 Ca -0.02 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 3huj n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3huj s THR 110 N -1.69 2.65 -0.46 2.61 2.01 -0.26 -4.81 115.64 115.69 3huj s THR 110 Ca 0.00 -0.86 -0.23 0.00 0.31 0.00 0.00 61.69 60.92 3huj s THR 110 Cb 0.00 -2.22 0.03 0.00 0.01 0.00 0.00 72.50 70.31 3huj s THR 110 CO 0.00 0.40 0.77 -1.58 -0.69 0.00 0.00 174.62 173.52 3huj s GLN 111 N 1.35 3.37 -0.22 4.92 2.00 -0.82 -0.11 119.66 130.15 3huj s GLN 111 Ca 0.03 -0.17 -0.13 0.00 -2.00 0.00 0.00 55.36 53.09 3huj s GLN 111 Cb -0.15 -3.95 -0.04 0.00 0.80 0.00 0.00 33.01 29.67 3huj s GLN 111 CO -0.08 -1.13 0.28 -1.17 -0.50 0.00 0.00 175.29 172.69 3huj s LEU 112 N 3.24 4.14 -0.13 3.68 2.96 -0.19 -1.74 118.68 130.64 3huj s LEU 112 Ca 0.28 0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 54.49 3huj s LEU 112 Cb -0.13 -2.31 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 3huj s LEU 112 CO 0.22 -0.00 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.29 3huj s THR 113 N 1.16 3.68 -0.28 3.68 2.01 -0.77 -1.96 115.64 123.15 3huj s THR 113 Ca 0.13 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 3huj s THR 113 Cb -0.14 -2.58 0.04 0.00 0.01 0.00 0.00 72.50 69.83 3huj s THR 113 CO 0.06 0.52 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.81 3huj s VAL 114 N 0.12 3.11 0.23 3.82 1.01 -1.26 -1.53 120.40 125.90 3huj s VAL 114 Ca -0.02 -1.15 -0.05 0.00 0.00 0.00 0.00 61.98 60.75 3huj s VAL 114 Cb -0.14 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.50 3huj s VAL 114 CO 0.03 0.03 0.49 0.26 0.00 0.00 0.00 175.10 175.91 3huj s TRP 115 N 1.32 3.47 0.28 5.22 0.51 0.15 -4.73 118.94 125.15 3huj s TRP 115 Ca -0.02 0.64 -0.29 0.00 -2.12 0.00 0.00 56.10 54.30 3huj s TRP 115 Cb -0.18 -2.08 -0.09 0.00 -0.81 0.00 0.00 33.47 30.30 3huj s TRP 115 CO -0.02 0.28 1.17 -1.25 -0.51 0.00 0.00 176.95 176.62 3huj s PRO 116 N -3.17 4.54 -1.23 4.98 0.04 -1.26 -1.13 135.00 137.77 3huj s PRO 116 Ca 0.43 1.92 -0.15 0.00 0.04 0.00 0.00 61.00 63.25 3huj s PRO 116 Cb -0.11 -3.17 0.15 0.00 0.04 0.00 0.00 34.50 31.41 3huj s PRO 116 CO 0.27 0.05 1.50 0.34 0.04 0.00 0.00 177.00 179.20 3huj s ASP 117 N -0.59 7.03 -0.24 6.66 2.15 -1.26 -4.46 116.67 125.96 3huj s ASP 117 Ca 0.47 -2.89 -0.28 0.00 0.43 0.00 0.00 52.55 50.28 3huj s ASP 117 Cb -0.34 -2.44 -0.04 0.00 -0.30 0.00 0.00 42.92 39.80 3huj s ASP 117 CO 0.43 -0.83 2.04 -0.63 -0.17 0.00 0.00 175.17 176.01 3huj s ILE 118 N 2.14 3.19 -0.06 4.11 -1.09 -1.26 -4.89 121.20 123.33 3huj s ILE 118 Ca 0.45 0.20 -0.19 0.00 -2.23 0.00 0.00 60.65 58.88 3huj s ILE 118 Cb -0.01 -3.24 -0.14 0.00 -1.58 0.00 0.00 42.46 37.49 3huj s ILE 118 CO 0.02 -0.14 0.74 1.56 -1.23 0.00 0.00 174.94 175.89 3huj h GLN 119 N 13.87 -0.21 -3.69 2.79 1.08 -1.93 -3.41 115.11 123.60 3huj h GLN 119 Ca -0.39 0.01 -0.71 0.00 -1.45 0.00 0.00 58.65 56.11 3huj h GLN 119 Cb 1.21 0.05 -0.33 0.00 -0.05 0.00 0.00 27.48 28.36 3huj h GLN 119 CO 0.98 0.18 -0.29 -0.80 -0.95 0.00 0.00 178.83 177.96 3huj s ASN 120 N -5.46 5.54 -0.10 1.46 0.01 -1.26 -5.08 114.94 110.05 3huj s ASN 120 Ca -0.11 -2.76 -0.28 0.00 -0.71 0.00 0.00 52.86 48.99 3huj s ASN 120 Cb 0.00 -1.93 -0.02 0.00 0.41 0.00 0.00 41.25 39.72 3huj s ASN 120 CO 0.41 -0.42 0.94 -2.16 -1.51 0.00 0.00 177.10 174.35 3huj s PRO 121 N 0.07 4.41 -0.60 -0.60 0.05 -1.26 -4.99 135.00 132.08 3huj s PRO 121 Ca 0.16 1.26 0.06 0.00 0.05 0.00 0.00 61.00 62.54 3huj s PRO 121 Cb -0.19 -3.53 0.28 0.00 0.05 0.00 0.00 34.50 31.11 3huj s PRO 121 CO -0.04 -0.25 0.81 -3.47 0.05 0.00 0.00 177.00 174.09 3huj n ASP 122 N 4.81 3.77 -4.68 6.66 -0.08 -0.62 -5.01 116.55 121.40 3huj n ASP 122 Ca 0.07 -3.48 -0.42 0.00 -1.51 0.00 0.00 54.79 49.44 3huj n ASP 122 Cb 0.49 -0.63 -0.03 0.00 2.34 0.00 0.00 41.12 43.29 3huj n ASP 122 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3huj s PRO 123 N -2.76 4.14 -0.19 -0.67 0.04 -1.11 -4.59 135.00 129.87 3huj s PRO 123 Ca 0.43 2.57 -0.15 0.00 0.04 0.00 0.00 61.00 63.88 3huj s PRO 123 Cb 0.20 -3.71 0.05 0.00 0.04 0.00 0.00 34.50 31.09 3huj s PRO 123 CO -0.06 -0.85 0.49 0.00 0.04 0.00 0.00 177.00 176.62 3huj s ALA 124 N 3.07 -1.25 -0.00 8.56 0.00 -0.43 -2.19 121.76 129.52 3huj s ALA 124 Ca 0.82 1.53 -0.15 0.00 0.00 0.00 0.00 51.96 54.16 3huj s ALA 124 Cb -0.45 -0.90 -0.06 0.00 0.00 0.00 0.00 23.12 21.72 3huj s ALA 124 CO 0.37 -0.26 0.42 0.08 0.00 0.00 0.00 175.76 176.37 3huj s VAL 125 N 0.68 5.03 0.29 0.00 1.01 -0.38 -1.08 120.40 125.94 3huj s VAL 125 Ca -0.03 0.86 0.03 0.00 0.00 0.00 0.00 61.98 62.83 3huj s VAL 125 Cb -0.05 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 3huj s VAL 125 CO -0.05 0.57 0.06 -0.31 0.00 0.00 0.00 175.10 175.37 3huj s TYR 126 N -1.00 1.77 -0.16 5.22 2.02 0.33 -3.84 117.35 121.69 3huj s TYR 126 Ca 0.24 -1.03 -0.01 0.00 -0.37 0.00 0.00 57.07 55.91 3huj s TYR 126 Cb -0.17 -1.11 0.04 0.00 -0.40 0.00 0.00 41.96 40.33 3huj s TYR 126 CO 0.13 -0.11 -0.04 -1.14 -1.57 0.00 0.00 175.55 172.82 3huj s GLN 127 N -3.93 1.32 -0.08 -0.62 0.74 -1.26 -0.83 119.66 115.00 3huj s GLN 127 Ca 0.36 -0.48 -0.14 0.00 0.05 0.00 0.00 55.36 55.15 3huj s GLN 127 Cb 0.08 -1.97 -0.05 0.00 1.10 0.00 0.00 33.01 32.17 3huj s GLN 127 CO 0.14 -0.45 0.34 -0.51 -0.55 0.00 0.00 175.29 174.26 3huj s LEU 128 N 1.67 4.37 0.49 3.68 2.01 -0.44 -5.01 118.68 125.45 3huj s LEU 128 Ca 0.01 0.74 -0.19 0.00 0.01 0.00 0.00 54.13 54.69 3huj s LEU 128 Cb -0.15 -2.46 -0.08 0.00 0.01 0.00 0.00 46.19 43.50 3huj s LEU 128 CO -0.08 0.23 1.00 0.00 1.01 0.00 0.00 176.35 178.52 3huj s ARG 129 N -0.42 3.90 0.02 1.70 1.70 -1.26 -3.60 118.95 120.99 3huj s ARG 129 Ca 0.20 1.18 -0.22 0.00 -0.47 0.00 0.00 55.73 56.42 3huj s ARG 129 Cb -0.15 -2.12 -0.05 0.00 -0.57 0.00 0.00 34.95 32.06 3huj s ARG 129 CO 0.09 -0.33 0.66 -0.51 -1.08 0.00 0.00 175.30 174.13 3huj s ASP 130 N -2.38 7.08 0.10 -2.89 1.01 -1.26 -4.99 116.67 113.33 3huj s ASP 130 Ca 0.63 1.29 -0.19 0.00 0.71 0.00 0.00 52.55 54.99 3huj s ASP 130 Cb -0.13 -2.41 -0.07 0.00 1.01 0.00 0.00 42.92 41.32 3huj s ASP 130 CO 0.22 0.07 1.60 0.77 0.21 0.00 0.00 175.17 178.05 3huj h SER 131 N 5.59 0.37 -0.37 0.27 4.64 -2.05 -3.33 113.55 118.67 3huj h SER 131 Ca -0.45 -0.22 -0.27 0.00 -0.47 0.00 0.00 61.79 60.38 3huj h SER 131 Cb 1.20 -0.10 -0.36 0.00 -0.31 0.00 0.00 62.40 62.84 3huj h SER 131 CO 0.70 0.49 -0.97 2.29 -0.87 0.00 0.00 176.83 178.47 3huj n LYS 132 N -4.74 1.80 -3.63 4.77 -0.00 -1.26 -5.06 118.16 110.04 3huj n LYS 132 Ca -0.03 -3.33 -0.09 0.00 -0.00 0.00 0.00 58.31 54.86 3huj n LYS 132 Cb 0.17 -1.43 -0.07 0.00 -0.00 0.00 0.00 35.03 33.70 3huj n LYS 132 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3huj s SER 133 N -3.32 -0.39 -0.00 -5.58 1.04 -1.25 -5.19 113.70 99.01 3huj s SER 133 Ca 0.35 0.68 -0.11 0.00 0.48 0.00 0.00 55.95 57.35 3huj s SER 133 Cb 0.36 0.66 0.01 0.00 0.10 0.00 0.00 66.02 67.15 3huj s SER 133 CO -0.05 -0.18 0.23 -0.44 0.98 0.00 0.00 173.24 173.78 3huj s SER 134 N -0.11 -0.08 -0.16 7.02 0.01 -1.26 -4.23 113.70 114.88 3huj s SER 134 Ca 0.03 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.22 3huj s SER 134 Cb -0.04 0.26 0.03 0.00 0.21 0.00 0.00 66.02 66.48 3huj s SER 134 CO -0.05 -0.42 -0.13 -1.81 0.41 0.00 0.00 173.24 171.24 3huj s ASP 135 N -1.40 2.86 0.00 2.44 1.01 -1.26 -5.18 116.67 115.15 3huj s ASP 135 Ca -0.14 -0.59 0.00 0.00 0.71 0.00 0.00 52.55 52.53 3huj s ASP 135 Cb -0.06 -1.17 0.00 0.00 1.01 0.00 0.00 42.92 42.70 3huj s ASP 135 CO 0.03 -0.09 0.00 -0.24 0.21 0.00 0.00 175.17 175.08 3huj n SER 137 N 4.76 0.00 -4.18 0.27 2.88 -1.26 -4.98 113.62 111.11 3huj n SER 137 Ca -0.16 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.09 3huj n SER 137 Cb 0.49 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.79 3huj n SER 137 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3huj s VAL 138 N -2.00 1.70 -0.20 2.46 1.01 -1.24 -4.32 120.40 117.82 3huj s VAL 138 Ca 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 3huj s VAL 138 Cb 0.00 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 3huj s VAL 138 CO 0.00 0.48 0.09 0.00 0.00 0.00 0.00 175.10 175.67 3huj s LEU 140 N 0.57 4.93 -0.19 0.00 2.96 -0.01 -1.18 118.68 125.76 3huj s LEU 140 Ca 0.05 -1.70 -0.27 0.00 -0.22 0.00 0.00 54.13 51.98 3huj s LEU 140 Cb -0.13 -1.86 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 3huj s LEU 140 CO 0.01 -0.48 0.94 0.12 -1.32 0.00 0.00 176.35 175.62 3huj s PHE 141 N 1.26 3.39 0.14 5.38 5.36 -0.17 -0.51 117.98 132.83 3huj s PHE 141 Ca 0.04 1.38 -0.09 0.00 -0.96 0.00 0.00 56.93 57.29 3huj s PHE 141 Cb -0.22 -3.15 -0.00 0.00 -0.34 0.00 0.00 43.02 39.31 3huj s PHE 141 CO -0.02 -0.35 0.27 -0.08 -1.46 0.00 0.00 175.22 173.59 3huj s THR 142 N 2.60 0.08 -1.36 0.12 -1.32 -0.24 -0.00 115.64 115.52 3huj s THR 142 Ca 0.42 -1.27 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 3huj s THR 142 Cb -0.16 -1.67 0.00 0.00 -1.51 0.00 0.00 72.50 69.16 3huj s THR 142 CO 0.10 -0.39 0.00 0.47 -2.21 0.00 0.00 174.62 172.60 3huj n ASP 143 N -0.18 -4.54 -4.91 8.08 9.92 -0.76 -1.32 116.55 122.84 3huj n ASP 143 Ca -0.10 0.31 -0.28 0.00 -0.53 0.00 0.00 54.79 54.20 3huj n ASP 143 Cb 0.63 -3.19 0.02 0.00 -0.64 0.00 0.00 41.12 37.94 3huj n ASP 143 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3huj s PHE 144 N -2.48 3.37 0.75 1.24 -0.12 -1.26 -1.59 117.98 117.88 3huj s PHE 144 Ca 0.00 0.79 -0.02 0.00 -0.05 0.00 0.00 56.93 57.65 3huj s PHE 144 Cb 0.00 -2.68 0.13 0.00 -0.63 0.00 0.00 43.02 39.85 3huj s PHE 144 CO 0.00 -0.73 1.03 0.16 -0.05 0.00 0.00 175.22 175.63 3huj s ASP 145 N -4.25 4.22 0.00 1.98 -4.77 -1.26 -4.31 116.67 108.28 3huj s ASP 145 Ca 0.53 -0.30 0.26 0.00 -3.30 0.00 0.00 52.55 49.74 3huj s ASP 145 Cb -0.11 -0.04 1.52 0.00 -1.09 0.00 0.00 42.92 43.21 3huj s ASP 145 CO 0.47 -1.95 1.93 -1.20 0.70 0.00 0.00 175.17 175.11 3huj n SER 146 N -2.93 0.00 0.08 2.11 7.64 -1.26 -2.61 113.62 116.65 3huj n SER 146 Ca 0.15 -0.65 -0.14 0.00 1.01 0.00 0.00 58.87 59.24 3huj n SER 146 Cb 0.60 -0.07 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 3huj n SER 146 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3huj h GLN 147 N 0.00 0.35 -6.45 1.43 4.20 -1.95 -3.45 115.11 109.24 3huj h GLN 147 Ca 0.00 -0.43 -0.54 0.00 0.06 0.00 0.00 58.65 57.74 3huj h GLN 147 Cb 0.06 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 3huj h GLN 147 CO 0.00 1.13 0.56 0.99 -0.67 0.00 0.00 178.83 180.84 3huj s THR 148 N -3.07 4.15 0.08 -0.54 2.01 -1.07 -5.05 115.64 112.15 3huj s THR 148 Ca -0.05 1.54 0.06 0.00 0.31 0.00 0.00 61.69 63.55 3huj s THR 148 Cb 0.08 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 3huj s THR 148 CO 0.87 0.10 -0.06 0.20 -0.69 0.00 0.00 174.62 175.04 3huj s ASN 149 N 1.12 4.66 -0.36 3.53 0.02 -1.26 -4.92 114.94 117.73 3huj s ASN 149 Ca 0.58 -0.27 -0.09 0.00 -1.02 0.00 0.00 52.86 52.06 3huj s ASN 149 Cb -0.28 -1.01 0.03 0.00 0.02 0.00 0.00 41.25 40.01 3huj s ASN 149 CO 0.28 0.20 0.16 -0.69 0.02 0.00 0.00 177.10 177.07 3huj s VAL 150 N -1.21 4.25 0.28 1.60 1.01 -1.26 -3.90 120.40 121.18 3huj s VAL 150 Ca 0.22 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 3huj s VAL 150 Cb -0.11 -3.37 -0.09 0.00 0.00 0.00 0.00 36.38 32.81 3huj s VAL 150 CO 0.14 -0.19 0.82 -0.44 0.00 0.00 0.00 175.10 175.43 3huj s SER 151 N 1.50 7.12 1.01 3.32 0.01 -1.26 -4.86 113.70 120.53 3huj s SER 151 Ca 0.01 1.57 -0.15 0.00 1.31 0.00 0.00 55.95 58.69 3huj s SER 151 Cb -0.19 -2.48 0.19 0.00 0.21 0.00 0.00 66.02 63.75 3huj s SER 151 CO 0.05 -0.06 1.15 0.00 0.41 0.00 0.00 173.24 174.80 3huj s GLN 152 N -2.20 0.34 0.39 12.44 -2.07 -1.26 -4.64 119.66 122.67 3huj s GLN 152 Ca 0.48 0.11 -0.24 0.00 -1.82 0.00 0.00 55.36 53.89 3huj s GLN 152 Cb -0.16 -1.76 -0.10 0.00 -1.09 0.00 0.00 33.01 29.90 3huj s GLN 152 CO 0.21 -2.70 1.00 -1.54 -1.32 0.00 0.00 175.29 170.94 3huj s SER 153 N -4.06 6.92 -0.14 12.60 1.04 -1.26 -4.92 113.70 123.88 3huj s SER 153 Ca 0.67 1.91 -0.16 0.00 0.48 0.00 0.00 55.95 58.85 3huj s SER 153 Cb -0.12 -2.57 -0.14 0.00 0.10 0.00 0.00 66.02 63.29 3huj s SER 153 CO 0.55 -0.38 0.34 0.07 0.98 0.00 0.00 173.24 174.80 3huj h LYS 154 N 2.50 0.00 -6.91 4.02 -0.00 -1.95 -3.47 116.57 110.76 3huj h LYS 154 Ca -0.48 0.00 -0.53 0.00 -0.00 0.00 0.00 60.65 59.64 3huj h LYS 154 Cb 1.20 0.00 0.08 0.00 -0.00 0.00 0.00 32.23 33.51 3huj h LYS 154 CO 0.63 0.56 0.69 0.34 -0.00 0.00 0.00 179.45 181.67 3huj s ASP 155 N -6.03 6.60 0.28 7.07 -1.08 -1.26 -4.94 116.67 117.31 3huj s ASP 155 Ca -0.14 2.83 0.05 0.00 -0.52 0.00 0.00 52.55 54.78 3huj s ASP 155 Cb -0.00 -2.66 0.41 0.00 -1.46 0.00 0.00 42.92 39.21 3huj s ASP 155 CO 0.40 -0.67 1.68 0.28 0.52 0.00 0.00 175.17 177.38 3huj h SER 156 N 3.23 0.30 -0.02 -0.34 0.02 -2.05 -3.12 113.55 111.56 3huj h SER 156 Ca -0.50 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 3huj h SER 156 Cb 1.23 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3huj h SER 156 CO 0.65 0.69 0.00 0.47 -1.14 0.00 0.00 176.83 177.50 3huj n ASP 157 N -4.02 1.19 -4.56 3.07 10.43 -1.26 -4.81 116.55 116.60 3huj n ASP 157 Ca -0.02 -1.41 -0.34 0.00 2.57 0.00 0.00 54.79 55.60 3huj n ASP 157 Cb 0.49 -0.00 -0.11 0.00 1.84 0.00 0.00 41.12 43.33 3huj n ASP 157 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3huj s VAL 158 N -1.99 3.85 -0.21 2.53 1.01 -1.18 -3.56 120.40 120.84 3huj s VAL 158 Ca 0.40 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.99 3huj s VAL 158 Cb 0.21 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 34.01 3huj s VAL 158 CO 0.34 0.56 -0.13 -0.31 0.00 0.00 0.00 175.10 175.56 3huj s TYR 159 N -0.34 2.76 -0.11 5.22 1.51 0.34 -4.75 117.35 121.99 3huj s TYR 159 Ca 0.05 -1.82 0.02 0.00 -1.01 0.00 0.00 57.07 54.31 3huj s TYR 159 Cb -0.12 -1.80 -0.01 0.00 -0.11 0.00 0.00 41.96 39.92 3huj s TYR 159 CO 0.02 -0.80 -0.17 0.42 -1.11 0.00 0.00 175.55 173.91 3huj s ILE 160 N 1.28 2.72 0.33 2.71 1.01 -1.26 -1.00 121.20 126.99 3huj s ILE 160 Ca -0.02 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.87 3huj s ILE 160 Cb -0.16 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 3huj s ILE 160 CO -0.08 0.54 0.50 0.28 0.00 0.00 0.00 174.94 176.18 3huj s THR 161 N 0.22 4.69 0.72 2.92 -1.32 -0.27 -4.67 115.64 117.95 3huj s THR 161 Ca -0.11 -0.74 -0.11 0.00 -1.21 0.00 0.00 61.69 59.52 3huj s THR 161 Cb -0.16 -3.68 0.03 0.00 -1.51 0.00 0.00 72.50 67.17 3huj s THR 161 CO 0.06 -0.36 1.07 -1.81 -2.21 0.00 0.00 174.62 171.38 3huj s ASP 162 N -4.09 5.04 0.31 8.08 1.01 -1.26 -4.47 116.67 121.29 3huj s ASP 162 Ca 0.41 1.71 -0.29 0.00 0.71 0.00 0.00 52.55 55.09 3huj s ASP 162 Cb -0.09 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.23 3huj s ASP 162 CO 0.33 -1.67 1.32 -1.59 0.21 0.00 0.00 175.17 173.77 3huj s LYS 163 N -4.94 4.35 0.00 8.23 -2.85 -1.26 -4.63 119.74 118.64 3huj s LYS 163 Ca 0.60 2.20 0.02 0.00 -1.00 0.00 0.00 55.97 57.79 3huj s LYS 163 Cb -0.15 -3.09 -0.01 0.00 -2.06 0.00 0.00 37.83 32.52 3huj s LYS 163 CO 0.55 -0.22 -0.06 0.00 0.10 0.00 0.00 175.35 175.71 3huj s VAL 165 N -0.33 5.08 -0.05 0.00 1.01 -1.26 -0.88 120.40 123.96 3huj s VAL 165 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 3huj s VAL 165 Cb -0.04 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3huj s VAL 165 CO -0.00 0.39 -0.01 -1.48 0.00 0.00 0.00 175.10 174.00 3huj s LEU 166 N 0.83 3.49 -0.34 3.92 -0.00 -0.75 -4.96 118.68 120.88 3huj s LEU 166 Ca 0.06 0.05 -0.05 0.00 -0.00 0.00 0.00 54.13 54.20 3huj s LEU 166 Cb -0.13 -1.89 0.05 0.00 -0.00 0.00 0.00 46.19 44.22 3huj s LEU 166 CO 0.02 0.33 0.09 -0.62 -0.00 0.00 0.00 176.35 176.18 3huj s ASP 167 N -1.17 5.20 -1.01 1.48 2.15 -1.26 -2.18 116.67 119.88 3huj s ASP 167 Ca 0.16 -1.28 -0.19 0.00 0.43 0.00 0.00 52.55 51.66 3huj s ASP 167 Cb -0.11 -1.82 0.11 0.00 -0.30 0.00 0.00 42.92 40.79 3huj s ASP 167 CO 0.06 -0.34 1.29 -0.04 -0.17 0.00 0.00 175.17 175.97 3huj s MET 168 N 1.33 3.67 0.12 4.34 -1.94 0.30 -4.91 119.30 122.22 3huj s MET 168 Ca -0.02 -1.69 -0.23 0.00 -1.71 0.00 0.00 55.69 52.04 3huj s MET 168 Cb -0.20 -5.09 -0.05 0.00 2.01 0.00 0.00 34.83 31.50 3huj s MET 168 CO 0.01 -1.92 1.67 0.00 -0.01 0.00 0.00 175.02 174.76 3huj h ARG 169 N 8.84 -0.24 0.08 2.03 3.08 -1.96 0.32 114.38 126.54 3huj h ARG 169 Ca 0.20 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.28 3huj h ARG 169 Cb 0.99 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 3huj h ARG 169 CO 1.23 -0.16 -0.09 0.66 -1.07 0.00 0.00 179.97 180.54 3huj h SER 170 N -0.25 -0.25 0.56 7.04 4.64 -1.97 -1.56 113.55 121.77 3huj h SER 170 Ca 0.07 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3huj h SER 170 Cb 0.34 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3huj h SER 170 CO -0.19 -0.14 0.00 0.80 -0.87 0.00 0.00 176.83 176.42 3huj n MET 171 N -5.21 0.15 -3.47 4.77 0.00 -1.15 -4.94 117.12 107.28 3huj n MET 171 Ca -0.07 0.11 -0.14 0.00 -0.00 0.00 0.00 57.70 57.60 3huj n MET 171 Cb 0.13 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.86 3huj n MET 171 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3huj n ASP 172 N -1.39 -6.16 -3.69 6.12 4.64 0.06 -5.01 116.55 111.12 3huj n ASP 172 Ca 0.08 -0.58 -0.11 0.00 -1.38 0.00 0.00 54.79 52.80 3huj n ASP 172 Cb 0.21 -3.34 -0.11 0.00 -1.04 0.00 0.00 41.12 36.83 3huj n ASP 172 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 3huj s PHE 173 N -3.02 -0.59 0.05 -0.67 5.36 -0.93 -5.02 117.98 113.15 3huj s PHE 173 Ca 0.02 1.24 0.07 0.00 -0.96 0.00 0.00 56.93 57.31 3huj s PHE 173 Cb -0.01 0.21 -0.03 0.00 -0.34 0.00 0.00 43.02 42.85 3huj s PHE 173 CO 0.83 -0.37 -0.18 0.15 -1.46 0.00 0.00 175.22 174.20 3huj s LYS 174 N 1.83 2.03 -0.15 10.12 1.02 -1.26 -0.53 119.74 132.79 3huj s LYS 174 Ca -0.06 -1.01 -0.11 0.00 0.02 0.00 0.00 55.97 54.81 3huj s LYS 174 Cb -0.10 -2.18 0.05 0.00 -0.52 0.00 0.00 37.83 35.08 3huj s LYS 174 CO -0.12 0.53 0.37 -1.54 -0.92 0.00 0.00 175.35 173.68 3huj s SER 175 N -1.56 -0.43 0.53 2.83 1.04 -0.93 -4.96 113.70 110.23 3huj s SER 175 Ca 0.15 0.78 -0.19 0.00 0.48 0.00 0.00 55.95 57.18 3huj s SER 175 Cb -0.11 0.72 -0.06 0.00 0.10 0.00 0.00 66.02 66.68 3huj s SER 175 CO 0.06 -0.16 1.07 0.20 0.98 0.00 0.00 173.24 175.39 3huj s ASN 176 N 0.81 5.99 -0.12 7.02 0.01 -1.26 -1.81 114.94 125.59 3huj s ASN 176 Ca -0.05 1.99 -0.22 0.00 -0.71 0.00 0.00 52.86 53.87 3huj s ASN 176 Cb -0.06 -2.56 0.05 0.00 0.41 0.00 0.00 41.25 39.09 3huj s ASN 176 CO -0.06 -1.03 0.54 -0.94 -1.51 0.00 0.00 177.10 174.10 3huj s SER 177 N -2.09 -0.52 0.01 -1.22 1.04 -0.06 -1.84 113.70 109.02 3huj s SER 177 Ca 0.68 0.76 0.02 0.00 0.48 0.00 0.00 55.95 57.89 3huj s SER 177 Cb -0.19 0.77 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 3huj s SER 177 CO 0.26 -0.38 -0.06 0.00 0.98 0.00 0.00 173.24 174.05 3huj s ALA 178 N -0.53 0.43 -0.13 5.32 0.00 0.99 -0.63 121.76 127.21 3huj s ALA 178 Ca -0.06 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.50 3huj s ALA 178 Cb -0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 3huj s ALA 178 CO 0.04 0.04 -0.19 0.08 0.00 0.00 0.00 175.76 175.74 3huj s VAL 179 N -0.61 2.48 -0.02 0.00 1.01 -1.26 -1.00 120.40 120.99 3huj s VAL 179 Ca -0.03 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.17 3huj s VAL 179 Cb -0.05 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3huj s VAL 179 CO -0.00 0.54 -0.25 0.00 0.00 0.00 0.00 175.10 175.38 3huj s ALA 180 N 0.54 2.20 0.16 5.51 0.00 -0.33 -1.11 121.76 128.73 3huj s ALA 180 Ca -0.11 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.61 3huj s ALA 180 Cb -0.16 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.38 3huj s ALA 180 CO 0.04 0.53 0.35 1.67 0.00 0.00 0.00 175.76 178.36 3huj s TRP 181 N -0.62 0.17 0.10 0.00 -2.14 -0.17 -0.45 118.94 115.83 3huj s TRP 181 Ca 0.10 -0.53 -0.19 0.00 2.66 0.00 0.00 56.10 58.13 3huj s TRP 181 Cb -0.10 0.10 0.05 0.00 -3.10 0.00 0.00 33.47 30.41 3huj s TRP 181 CO -0.01 -0.76 0.47 0.45 -2.66 0.00 0.00 176.95 174.44 3huj s SER 182 N -2.92 -0.35 0.01 -2.66 0.15 -1.26 -0.50 113.70 106.16 3huj s SER 182 Ca 0.12 -0.08 -0.19 0.00 0.70 0.00 0.00 55.95 56.51 3huj s SER 182 Cb 0.02 0.49 -0.29 0.00 -1.71 0.00 0.00 66.02 64.53 3huj s SER 182 CO -0.03 -0.81 1.03 -0.55 1.20 0.00 0.00 173.24 174.08 3huj h ASN 183 N 2.52 0.66 -2.34 5.45 -1.07 -1.96 -3.42 115.58 115.41 3huj h ASN 183 Ca -0.33 -0.86 -0.56 0.00 0.07 0.00 0.00 56.30 54.63 3huj h ASN 183 Cb 1.24 -0.21 0.04 0.00 -2.07 0.00 0.00 38.32 37.32 3huj h ASN 183 CO 0.43 1.45 1.06 2.29 0.07 0.00 0.00 177.43 182.73 3huj n LYS 184 N -4.00 2.55 0.26 4.14 2.85 -1.26 -4.86 118.16 117.83 3huj n LYS 184 Ca -0.13 0.93 0.13 0.00 -1.05 0.00 0.00 58.31 58.18 3huj n LYS 184 Cb 0.86 -2.79 0.68 0.00 -0.65 0.00 0.00 35.03 33.13 3huj n LYS 184 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 3huj h SER 185 N 8.34 0.00 0.30 -5.58 0.02 -2.00 -2.10 113.55 112.53 3huj h SER 185 Ca -0.47 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.41 3huj h SER 185 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 3huj h SER 185 CO 0.94 0.13 -0.32 -2.24 -1.14 0.00 0.00 176.83 174.20 3huj h ASP 186 N 0.00 0.03 -1.15 3.07 3.04 -1.99 -3.46 116.42 115.96 3huj h ASP 186 Ca -0.00 -0.01 -0.79 0.00 -3.24 0.00 0.00 57.03 52.99 3huj h ASP 186 Cb 0.44 -0.01 0.04 0.00 -1.04 0.00 0.00 39.33 38.77 3huj h ASP 186 CO 0.02 0.35 0.31 0.33 -2.04 0.00 0.00 179.24 178.20 3huj n PHE 187 N -4.15 1.10 -5.03 4.15 -0.00 -0.79 -4.97 117.46 107.76 3huj n PHE 187 Ca -0.02 0.97 -0.28 0.00 -0.00 0.00 0.00 57.45 58.12 3huj n PHE 187 Cb 0.37 -2.18 -0.15 0.00 -0.00 0.00 0.00 39.48 37.51 3huj n PHE 187 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3huj s ALA 188 N 0.91 1.93 0.33 3.13 0.00 -1.26 -5.03 121.76 121.77 3huj s ALA 188 Ca 0.93 -1.04 0.38 0.00 0.00 0.00 0.00 51.96 52.23 3huj s ALA 188 Cb -1.25 -0.46 1.81 0.00 0.00 0.00 0.00 23.12 23.22 3huj s ALA 188 CO 0.61 0.47 2.14 0.00 0.00 0.00 0.00 175.76 178.98 3huj h ALA 190 N 2.00 0.99 -0.21 0.00 0.00 -1.98 -3.12 119.26 116.95 3huj h ALA 190 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3huj h ALA 190 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3huj h ALA 190 CO 0.00 0.72 0.00 0.09 0.00 0.00 0.00 179.25 180.06 3huj n ASN 191 N -3.87 3.13 0.29 0.00 3.02 -0.98 -4.72 115.26 112.13 3huj n ASN 191 Ca -0.02 -1.95 -0.16 0.00 -0.03 0.00 0.00 54.58 52.42 3huj n ASN 191 Cb 0.59 -0.13 -0.08 0.00 -0.61 0.00 0.00 39.78 39.55 3huj n ASN 191 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3huj h ALA 192 N 4.30 -0.69 -0.93 5.41 0.00 -1.44 -2.99 119.26 122.92 3huj h ALA 192 Ca 0.00 -0.15 -0.54 0.00 0.00 0.00 0.00 54.91 54.21 3huj h ALA 192 Cb 0.94 0.27 -0.29 0.00 0.00 0.00 0.00 17.79 18.71 3huj h ALA 192 CO 0.00 -0.88 0.62 1.19 0.00 0.00 0.00 179.25 180.18 3huj n PHE 193 N -5.38 2.94 -0.20 0.00 3.01 -1.26 -4.62 117.46 111.95 3huj n PHE 193 Ca -0.12 -2.24 0.05 0.00 1.01 0.00 0.00 57.45 56.15 3huj n PHE 193 Cb 0.29 -1.06 0.32 0.00 -0.01 0.00 0.00 39.48 39.02 3huj n PHE 193 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 3huj h ASN 194 N 1.37 0.72 0.15 4.37 -1.24 -1.83 -1.46 115.58 117.67 3huj h ASN 194 Ca 0.58 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.59 3huj h ASN 194 Cb 2.04 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.93 3huj h ASN 194 CO 1.20 0.47 -0.03 0.59 -1.29 0.00 0.00 177.43 178.37 3huj n ASN 195 N -4.47 0.47 -4.87 1.15 5.03 -1.26 -4.81 115.26 106.49 3huj n ASN 195 Ca 0.10 -0.92 -0.27 0.00 0.87 0.00 0.00 54.58 54.37 3huj n ASN 195 Cb 0.19 -0.04 -0.04 0.00 -1.02 0.00 0.00 39.78 38.86 3huj n ASN 195 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3huj s SER 196 N -2.18 5.94 -0.94 6.41 0.01 -0.55 -4.61 113.70 117.78 3huj s SER 196 Ca 0.39 0.04 -0.24 0.00 1.31 0.00 0.00 55.95 57.45 3huj s SER 196 Cb 0.21 -1.69 0.02 0.00 0.21 0.00 0.00 66.02 64.78 3huj s SER 196 CO 0.40 0.07 1.55 0.27 0.41 0.00 0.00 173.24 175.95 3huj s ILE 197 N -1.71 3.77 0.37 1.44 -4.36 -1.25 -4.98 121.20 114.48 3huj s ILE 197 Ca 0.33 -0.50 -0.24 0.00 -0.26 0.00 0.00 60.65 59.98 3huj s ILE 197 Cb -0.11 -4.77 -0.10 0.00 1.25 0.00 0.00 42.46 38.73 3huj s ILE 197 CO 0.26 -1.67 0.97 -0.63 0.24 0.00 0.00 174.94 174.10 3huj s ILE 198 N 6.34 4.15 0.80 8.37 1.01 -1.26 -4.49 121.20 136.12 3huj s ILE 198 Ca 0.51 1.62 -0.10 0.00 0.00 0.00 0.00 60.65 62.67 3huj s ILE 198 Cb -0.03 -3.82 0.07 0.00 0.01 0.00 0.00 42.46 38.69 3huj s ILE 198 CO -0.04 -0.02 1.10 -2.84 0.00 0.00 0.00 174.94 173.15 3huj s PRO 199 N -2.47 2.02 0.00 2.79 0.02 -1.26 -5.00 135.00 131.12 3huj s PRO 199 Ca 0.55 1.23 -0.24 0.00 0.02 0.00 0.00 61.00 62.56 3huj s PRO 199 Cb -0.17 -1.87 -0.18 0.00 0.02 0.00 0.00 34.50 32.30 3huj s PRO 199 CO 0.22 -1.83 1.33 0.93 -0.33 0.00 0.00 177.00 177.32 3huj h GLU 200 N -1.27 0.08 -2.35 5.54 5.08 -2.00 -3.33 114.58 116.34 3huj h GLU 200 Ca -0.43 -0.04 -0.37 0.00 -1.00 0.00 0.00 59.36 57.52 3huj h GLU 200 Cb 1.24 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 3huj h GLU 200 CO 0.50 0.49 1.11 -0.40 -1.00 0.00 0.00 179.01 179.71 3huj n ASP 201 N -4.82 6.51 -4.61 1.42 3.85 -1.26 -4.90 116.55 112.75 3huj n ASP 201 Ca -0.08 -2.54 -0.37 0.00 -0.71 0.00 0.00 54.79 51.10 3huj n ASP 201 Cb 0.25 -1.46 -0.10 0.00 -1.35 0.00 0.00 41.12 38.45 3huj n ASP 201 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3huj s THR 202 N 1.27 5.13 0.35 2.12 2.01 -1.25 -4.69 115.64 120.59 3huj s THR 202 Ca 0.68 0.10 -0.26 0.00 0.31 0.00 0.00 61.69 62.52 3huj s THR 202 Cb 0.27 -3.40 -0.09 0.00 0.01 0.00 0.00 72.50 69.29 3huj s THR 202 CO -0.03 0.34 1.05 0.12 -0.69 0.00 0.00 174.62 175.41 3huj s PHE 203 N 1.22 3.41 0.01 4.92 5.36 -0.93 -4.90 117.98 127.07 3huj s PHE 203 Ca 0.07 1.68 0.04 0.00 -0.96 0.00 0.00 56.93 57.76 3huj s PHE 203 Cb -0.14 -3.16 -0.01 0.00 -0.34 0.00 0.00 43.02 39.36 3huj s PHE 203 CO 0.05 -0.51 -0.13 -0.06 -1.46 0.00 0.00 175.22 173.11 3huj s PHE 204 N -1.48 1.15 0.45 10.12 0.40 -1.26 -1.25 117.98 126.11 3huj s PHE 204 Ca 0.53 -0.28 -0.07 0.00 -0.60 0.00 0.00 56.93 56.51 3huj s PHE 204 Cb -0.25 -0.71 0.10 0.00 0.51 0.00 0.00 43.02 42.67 3huj s PHE 204 CO 0.32 0.00 0.61 -0.35 0.70 0.00 0.00 175.22 176.50 3huj n PRO 205 N 2.38 -0.47 0.00 0.24 -0.04 -1.25 -5.04 135.00 130.82 3huj n PRO 205 Ca -0.16 -1.05 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 3huj n PRO 205 Cb 0.55 -0.60 0.00 0.00 -0.04 0.00 0.00 33.50 33.41 3huj n PRO 205 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33