#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 0.00 -4.42 6.28 1.13 -1.21 -4.72 117.38 114.44 3huj n GLN 2 Ca 0.00 0.38 -0.34 0.00 -1.94 0.00 0.00 57.00 55.10 3huj n GLN 2 Cb 0.00 -1.28 -0.12 0.00 0.11 0.00 0.00 30.24 28.95 3huj n GLN 2 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3huj s ARG 3 N -2.12 3.66 0.21 -1.09 0.52 -0.26 -4.94 118.95 114.93 3huj s ARG 3 Ca 0.00 -0.53 -0.30 0.00 -0.52 0.00 0.00 55.73 54.39 3huj s ARG 3 Cb 0.00 -2.90 -0.08 0.00 0.52 0.00 0.00 34.95 32.49 3huj s ARG 3 CO 0.00 0.24 1.00 -0.08 0.02 0.00 0.00 175.30 176.48 3huj s THR 4 N 0.35 4.04 0.23 0.02 -1.32 -1.26 -1.20 115.64 116.50 3huj s THR 4 Ca -0.04 1.91 -0.30 0.00 -1.21 0.00 0.00 61.69 62.05 3huj s THR 4 Cb -0.14 -4.22 -0.09 0.00 -1.51 0.00 0.00 72.50 66.54 3huj s THR 4 CO 0.03 0.40 1.21 -2.16 -2.21 0.00 0.00 174.62 171.89 3huj s PRO 5 N -0.83 4.49 -0.03 7.08 0.04 -1.26 -4.37 135.00 140.12 3huj s PRO 5 Ca 0.44 1.94 -0.19 0.00 0.04 0.00 0.00 61.00 63.23 3huj s PRO 5 Cb -0.27 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 3huj s PRO 5 CO 0.33 -0.05 0.53 0.21 0.04 0.00 0.00 177.00 178.06 3huj s LYS 6 N -0.75 4.25 -0.14 4.56 2.20 0.52 -4.93 119.74 125.44 3huj s LYS 6 Ca 0.51 0.61 0.02 0.00 -0.36 0.00 0.00 55.97 56.74 3huj s LYS 6 Cb -0.34 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 32.65 3huj s LYS 6 CO 0.40 0.38 -0.18 0.42 -0.36 0.00 0.00 175.35 176.01 3huj s ILE 7 N -0.17 1.81 -0.06 5.43 1.01 -1.26 -1.22 121.20 126.74 3huj s ILE 7 Ca 0.28 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 60.14 3huj s ILE 7 Cb -0.17 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.67 3huj s ILE 7 CO 0.15 0.50 -0.12 -1.10 0.00 0.00 0.00 174.94 174.37 3huj s GLN 8 N 1.08 1.59 -0.07 2.79 -0.21 -0.96 -5.03 119.66 118.84 3huj s GLN 8 Ca -0.02 -0.39 0.04 0.00 0.02 0.00 0.00 55.36 55.01 3huj s GLN 8 Cb -0.14 -1.34 -0.01 0.00 1.00 0.00 0.00 33.01 32.52 3huj s GLN 8 CO -0.06 0.03 -0.20 0.08 -2.12 0.00 0.00 175.29 173.03 3huj s VAL 9 N 0.62 2.48 0.14 1.09 1.01 -1.26 -2.04 120.40 122.45 3huj s VAL 9 Ca -0.13 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 60.70 3huj s VAL 9 Cb -0.15 -1.95 0.06 0.00 0.00 0.00 0.00 36.38 34.34 3huj s VAL 9 CO 0.03 0.56 0.81 -0.72 0.00 0.00 0.00 175.10 175.79 3huj s TYR 10 N -0.13 -0.28 0.12 5.22 -0.85 -1.07 -4.80 117.35 115.56 3huj s TYR 10 Ca -0.03 0.00 0.06 0.00 -0.52 0.00 0.00 57.07 56.58 3huj s TYR 10 Cb -0.14 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.78 3huj s TYR 10 CO 0.04 -0.85 -0.01 -1.54 -1.52 0.00 0.00 175.55 171.66 3huj s SER 11 N -2.78 4.87 0.20 -0.18 1.04 -1.26 -0.53 113.70 115.05 3huj s SER 11 Ca 0.08 -0.28 -0.10 0.00 0.48 0.00 0.00 55.95 56.13 3huj s SER 11 Cb -0.02 -1.09 0.15 0.00 0.10 0.00 0.00 66.02 65.15 3huj s SER 11 CO -0.03 0.14 1.83 -0.09 0.98 0.00 0.00 173.24 176.07 3huj h ARG 12 N 3.16 1.04 -6.08 4.02 9.65 -1.50 -3.44 114.38 121.23 3huj h ARG 12 Ca -0.48 -0.12 -0.59 0.00 -1.10 0.00 0.00 59.98 57.69 3huj h ARG 12 Cb 1.18 -0.21 -0.14 0.00 -1.39 0.00 0.00 29.97 29.41 3huj h ARG 12 CO 0.58 0.77 -0.74 -1.01 2.80 0.00 0.00 179.97 182.37 3huj s HIS 13 N -5.87 2.25 -0.05 2.20 3.76 -1.26 -5.01 115.29 111.30 3huj s HIS 13 Ca -0.13 -0.39 -0.37 0.00 -0.15 0.00 0.00 55.06 54.02 3huj s HIS 13 Cb 0.15 -1.04 -0.15 0.00 1.11 0.00 0.00 32.58 32.65 3huj s HIS 13 CO 0.80 0.65 1.63 -2.30 -0.85 0.00 0.00 174.74 174.67 3huj n PRO 14 N -0.63 1.56 -1.65 8.40 -0.02 -1.26 -4.89 135.00 136.51 3huj n PRO 14 Ca -0.05 0.57 -0.47 0.00 -2.02 0.00 0.00 63.50 61.53 3huj n PRO 14 Cb 0.61 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.76 3huj n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3huj n ALA 15 N 4.49 0.71 -3.44 3.55 0.00 -1.26 -4.98 120.51 119.58 3huj n ALA 15 Ca 0.22 0.44 -0.18 0.00 0.00 0.00 0.00 53.44 53.92 3huj n ALA 15 Cb 0.21 -2.25 -0.11 0.00 0.00 0.00 0.00 19.45 17.31 3huj n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3huj s GLU 16 N 0.15 0.27 0.12 0.00 2.12 -1.26 -5.13 118.70 114.97 3huj s GLU 16 Ca 0.74 0.00 -0.35 0.00 0.36 0.00 0.00 54.97 55.73 3huj s GLU 16 Cb -0.72 -0.87 -0.17 0.00 0.26 0.00 0.00 34.13 32.63 3huj s GLU 16 CO 0.46 -0.87 1.19 0.09 -0.54 0.00 0.00 175.26 175.58 3huj n ASN 17 N 5.31 1.18 0.00 -1.70 3.02 -1.26 -1.26 115.26 120.55 3huj n ASN 17 Ca -0.04 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 3huj n ASN 17 Cb 0.47 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.48 3huj n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3huj n GLY 18 N 2.13 0.95 3.12 7.41 0.00 0.24 -5.00 105.19 114.03 3huj n GLY 18 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3huj n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3huj s LYS 19 N -0.06 2.85 0.05 1.61 2.47 -0.39 -4.95 119.74 121.32 3huj s LYS 19 Ca 0.00 -0.93 -0.37 0.00 -1.56 0.00 0.00 55.97 53.11 3huj s LYS 19 Cb 0.00 -2.66 -0.16 0.00 -1.46 0.00 0.00 37.83 33.55 3huj s LYS 19 CO 0.00 -0.29 1.41 0.45 0.16 0.00 0.00 175.35 177.08 3huj n SER 20 N 4.59 1.85 -1.75 1.43 2.88 -1.26 -4.56 113.62 116.80 3huj n SER 20 Ca -0.19 1.11 -0.06 0.00 -1.33 0.00 0.00 58.87 58.39 3huj n SER 20 Cb 0.48 -1.21 -0.02 0.00 -0.75 0.00 0.00 64.21 62.71 3huj n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3huj n ASN 21 N 2.92 -0.27 -4.11 -3.46 2.85 -0.57 -5.02 115.26 107.61 3huj n ASN 21 Ca 0.19 -1.73 -0.25 0.00 -0.11 0.00 0.00 54.58 52.68 3huj n ASN 21 Cb 0.19 0.61 -0.16 0.00 1.24 0.00 0.00 39.78 41.66 3huj n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3huj s PHE 22 N -2.69 1.52 -0.28 1.20 0.08 -1.26 -2.20 117.98 114.34 3huj s PHE 22 Ca 0.13 -0.41 -0.12 0.00 0.12 0.00 0.00 56.93 56.66 3huj s PHE 22 Cb 0.01 -1.03 -0.05 0.00 -0.57 0.00 0.00 43.02 41.38 3huj s PHE 22 CO 0.09 -0.13 0.21 -1.17 -0.10 0.00 0.00 175.22 174.13 3huj s LEU 23 N 0.00 4.04 0.01 -0.37 2.96 0.14 -1.08 118.68 124.37 3huj s LEU 23 Ca -0.02 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 3huj s LEU 23 Cb -0.10 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 3huj s LEU 23 CO 0.01 -0.07 0.03 0.20 -1.32 0.00 0.00 176.35 175.20 3huj s ASN 24 N 1.75 5.29 -0.20 3.68 0.01 0.31 -1.65 114.94 124.12 3huj s ASN 24 Ca 0.08 0.02 -0.03 0.00 -0.71 0.00 0.00 52.86 52.22 3huj s ASN 24 Cb -0.16 -1.42 0.06 0.00 0.41 0.00 0.00 41.25 40.15 3huj s ASN 24 CO 0.11 0.27 0.05 0.00 -1.51 0.00 0.00 177.10 176.01 3huj s TYR 26 N 1.89 3.23 -0.27 0.00 5.04 -0.86 -0.30 117.35 126.08 3huj s TYR 26 Ca 0.00 -0.50 -0.07 0.00 -2.44 0.00 0.00 57.07 54.06 3huj s TYR 26 Cb -0.17 -2.58 -0.01 0.00 0.35 0.00 0.00 41.96 39.55 3huj s TYR 26 CO -0.10 -0.55 0.07 0.08 -1.34 0.00 0.00 175.55 173.71 3huj s VAL 27 N 1.71 4.05 0.30 3.14 1.01 0.18 -2.27 120.40 128.52 3huj s VAL 27 Ca 0.06 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3huj s VAL 27 Cb -0.19 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3huj s VAL 27 CO 0.10 0.21 0.18 -0.94 0.00 0.00 0.00 175.10 174.66 3huj s SER 28 N 1.55 1.36 -1.58 3.32 1.04 -0.36 -0.18 113.70 118.85 3huj s SER 28 Ca 0.04 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 54.89 3huj s SER 28 Cb -0.16 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3huj s SER 28 CO 0.02 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.93 3huj n GLY 29 N -0.55 0.75 3.70 7.32 0.00 -0.43 -0.36 105.19 115.63 3huj n GLY 29 Ca 0.03 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 3huj n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3huj s PHE 30 N -2.70 2.79 -0.28 1.61 -0.71 -1.11 -4.36 117.98 113.21 3huj s PHE 30 Ca 0.00 -0.23 -0.18 0.00 -1.04 0.00 0.00 56.93 55.48 3huj s PHE 30 Cb 0.00 -1.33 0.12 0.00 -1.21 0.00 0.00 43.02 40.60 3huj s PHE 30 CO 0.00 0.54 0.90 -1.58 -1.34 0.00 0.00 175.22 173.74 3huj s HIS 31 N -2.30 -0.69 0.15 3.49 2.46 -0.34 -0.51 115.29 117.56 3huj s HIS 31 Ca 0.33 1.43 -0.03 0.00 0.47 0.00 0.00 55.06 57.27 3huj s HIS 31 Cb -0.06 0.42 0.04 0.00 -0.13 0.00 0.00 32.58 32.84 3huj s HIS 31 CO 0.22 -0.34 0.19 -0.35 -2.47 0.00 0.00 174.74 171.99 3huj n PRO 32 N 3.51 -0.42 0.16 2.88 -0.04 -1.26 -1.10 135.00 138.72 3huj n PRO 32 Ca -0.17 -0.29 0.04 0.00 -0.04 0.00 0.00 63.50 63.03 3huj n PRO 32 Cb 0.57 -0.21 0.11 0.00 -0.04 0.00 0.00 33.50 33.94 3huj n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3huj h SER 33 N -0.46 0.00 -2.18 3.54 4.64 -2.00 -3.44 113.55 113.64 3huj h SER 33 Ca -0.06 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.69 3huj h SER 33 Cb 0.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3huj h SER 33 CO 0.04 0.45 1.26 -0.67 -0.87 0.00 0.00 176.83 177.05 3huj n ASP 34 N -3.28 3.80 -3.72 4.97 2.03 -1.26 -4.93 116.55 114.15 3huj n ASP 34 Ca 0.02 0.77 -0.14 0.00 0.52 0.00 0.00 54.79 55.96 3huj n ASP 34 Cb 0.67 -1.49 -0.08 0.00 -0.72 0.00 0.00 41.12 39.50 3huj n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3huj s ILE 35 N 5.21 0.05 -0.18 5.18 2.07 -1.26 -4.59 121.20 127.69 3huj s ILE 35 Ca 0.93 -0.45 0.01 0.00 -1.41 0.00 0.00 60.65 59.73 3huj s ILE 35 Cb -0.48 -0.73 0.02 0.00 0.13 0.00 0.00 42.46 41.40 3huj s ILE 35 CO 0.43 -0.25 -0.19 -0.70 -1.91 0.00 0.00 174.94 172.33 3huj s GLU 36 N -1.57 3.04 -0.11 3.50 2.12 0.02 -4.99 118.70 120.71 3huj s GLU 36 Ca -0.11 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 54.41 3huj s GLU 36 Cb -0.04 -2.59 0.02 0.00 0.26 0.00 0.00 34.13 31.78 3huj s GLU 36 CO 0.03 -0.17 -0.12 0.08 -0.54 0.00 0.00 175.26 174.54 3huj s VAL 37 N 1.22 1.31 0.05 3.70 1.01 -1.26 0.22 120.40 126.66 3huj s VAL 37 Ca 0.03 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.56 3huj s VAL 37 Cb -0.14 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 3huj s VAL 37 CO -0.10 0.41 -0.18 -1.81 0.00 0.00 0.00 175.10 173.42 3huj s ASP 38 N 1.23 2.09 -0.16 3.32 1.01 0.16 -4.98 116.67 119.34 3huj s ASP 38 Ca -0.03 -0.53 -0.11 0.00 0.71 0.00 0.00 52.55 52.60 3huj s ASP 38 Cb -0.14 -0.14 -0.05 0.00 1.01 0.00 0.00 42.92 43.60 3huj s ASP 38 CO -0.04 0.08 0.20 -0.76 0.21 0.00 0.00 175.17 174.85 3huj s LEU 39 N -1.31 4.28 -0.08 1.23 1.43 -1.26 0.54 118.68 123.51 3huj s LEU 39 Ca 0.04 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 3huj s LEU 39 Cb -0.09 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 3huj s LEU 39 CO 0.02 0.22 -0.08 -0.76 0.23 0.00 0.00 176.35 175.98 3huj s LEU 40 N -0.04 3.09 -0.17 1.79 1.43 -0.81 0.59 118.68 124.55 3huj s LEU 40 Ca 0.13 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 3huj s LEU 40 Cb -0.12 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.44 3huj s LEU 40 CO 0.02 0.32 -0.20 -0.75 0.23 0.00 0.00 176.35 175.96 3huj s LYS 41 N -0.53 2.98 -1.54 1.70 2.20 0.20 -1.19 119.74 123.56 3huj s LYS 41 Ca 0.08 -0.83 -0.08 0.00 -0.36 0.00 0.00 55.97 54.78 3huj s LYS 41 Cb -0.12 -2.54 0.07 0.00 -1.51 0.00 0.00 37.83 33.73 3huj s LYS 41 CO 0.02 -0.18 0.55 0.09 -0.36 0.00 0.00 175.35 175.47 3huj n ASN 42 N 4.53 -1.55 0.00 1.43 3.02 -0.14 -1.07 115.26 121.48 3huj n ASN 42 Ca -0.21 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 3huj n ASN 42 Cb 0.50 -2.84 0.00 0.00 -0.61 0.00 0.00 39.78 36.83 3huj n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3huj n GLY 43 N -1.78 0.66 3.36 7.41 0.00 -1.26 -5.01 105.19 108.56 3huj n GLY 43 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 3huj n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3huj s GLU 44 N -0.30 2.20 0.00 1.61 0.41 -0.23 -5.04 118.70 117.36 3huj s GLU 44 Ca 0.00 -0.88 -0.33 0.00 -0.41 0.00 0.00 54.97 53.35 3huj s GLU 44 Cb 0.00 -2.14 -0.12 0.00 -1.78 0.00 0.00 34.13 30.10 3huj s GLU 44 CO 0.00 0.57 1.81 -2.13 -0.49 0.00 0.00 175.26 175.03 3huj n ARG 45 N 2.34 2.30 -2.45 1.61 0.63 -1.26 -0.63 116.66 119.20 3huj n ARG 45 Ca -0.16 0.84 -0.43 0.00 -0.92 0.00 0.00 57.85 57.18 3huj n ARG 45 Cb 0.51 -2.68 -0.02 0.00 0.45 0.00 0.00 32.46 30.72 3huj n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3huj s ILE 46 N 3.22 4.31 -0.50 5.15 1.01 0.20 -4.86 121.20 129.72 3huj s ILE 46 Ca 0.88 1.57 0.23 0.00 0.00 0.00 0.00 60.65 63.32 3huj s ILE 46 Cb -0.64 -4.07 -0.15 0.00 0.01 0.00 0.00 42.46 37.62 3huj s ILE 46 CO 0.46 -0.20 0.93 -0.62 0.00 0.00 0.00 174.94 175.51 3huj n GLU 47 N 6.69 0.36 -3.62 2.79 1.02 -1.26 -4.37 120.64 122.26 3huj n GLU 47 Ca 0.14 -0.02 -0.35 0.00 -0.02 0.00 0.00 57.16 56.91 3huj n GLU 47 Cb 0.45 -1.60 -0.07 0.00 -0.02 0.00 0.00 31.44 30.21 3huj n GLU 47 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3huj n LYS 48 N -2.05 2.65 -4.40 3.49 2.85 -1.26 -5.05 118.16 114.38 3huj n LYS 48 Ca 0.01 -4.50 -0.28 0.00 -1.05 0.00 0.00 58.31 52.50 3huj n LYS 48 Cb 0.46 -2.40 -0.12 0.00 -0.65 0.00 0.00 35.03 32.32 3huj n LYS 48 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3huj s VAL 49 N -1.52 2.28 0.18 0.58 -7.23 -1.26 -4.85 120.40 108.59 3huj s VAL 49 Ca 0.28 -1.90 0.06 0.00 -1.81 0.00 0.00 61.98 58.61 3huj s VAL 49 Cb -0.05 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 3huj s VAL 49 CO -0.12 -0.03 0.12 -1.61 -0.31 0.00 0.00 175.10 173.15 3huj s GLU 50 N -2.39 2.80 0.02 4.82 0.41 -0.42 -4.97 118.70 118.97 3huj s GLU 50 Ca 0.17 -0.95 -0.01 0.00 -0.41 0.00 0.00 54.97 53.77 3huj s GLU 50 Cb -0.09 -2.57 -0.02 0.00 -1.78 0.00 0.00 34.13 29.68 3huj s GLU 50 CO 0.08 0.46 -0.00 -3.38 -0.49 0.00 0.00 175.26 171.93 3huj s HIS 51 N -1.82 0.22 0.81 1.61 -3.43 -1.26 -0.86 115.29 110.57 3huj s HIS 51 Ca 0.31 -0.46 -0.11 0.00 -0.80 0.00 0.00 55.06 53.99 3huj s HIS 51 Cb -0.09 -0.17 0.08 0.00 -1.43 0.00 0.00 32.58 30.97 3huj s HIS 51 CO 0.23 -0.20 1.09 -1.54 -2.00 0.00 0.00 174.74 172.31 3huj s SER 52 N -1.44 4.24 0.22 7.38 1.04 -0.71 -4.99 113.70 119.44 3huj s SER 52 Ca -0.16 1.56 -0.31 0.00 0.48 0.00 0.00 55.95 57.53 3huj s SER 52 Cb -0.10 -2.28 -0.10 0.00 0.10 0.00 0.00 66.02 63.64 3huj s SER 52 CO -0.01 -2.17 1.50 -1.81 0.98 0.00 0.00 173.24 171.74 3huj s ASP 53 N -3.57 6.60 0.09 7.02 1.01 -1.26 -4.67 116.67 121.89 3huj s ASP 53 Ca 0.61 2.68 -0.37 0.00 0.71 0.00 0.00 52.55 56.19 3huj s ASP 53 Cb -0.16 -2.61 -0.16 0.00 1.01 0.00 0.00 42.92 40.99 3huj s ASP 53 CO 0.56 -0.77 1.37 -0.11 0.21 0.00 0.00 175.17 176.42 3huj n LEU 54 N 2.92 1.79 0.00 1.23 7.94 -1.26 -4.89 117.00 124.72 3huj n LEU 54 Ca 0.10 1.12 -0.04 0.00 -1.11 0.00 0.00 56.01 56.07 3huj n LEU 54 Cb 0.39 -1.21 -0.01 0.00 0.53 0.00 0.00 43.42 43.12 3huj n LEU 54 CO 0.61 -0.97 -0.02 -0.24 -1.11 0.00 0.00 177.39 175.66 3huj n SER 55 N 2.64 0.27 -3.77 1.96 2.88 -1.05 -5.02 113.62 111.53 3huj n SER 55 Ca 0.18 -1.39 -0.10 0.00 -1.33 0.00 0.00 58.87 56.23 3huj n SER 55 Cb 0.20 0.26 -0.06 0.00 -0.75 0.00 0.00 64.21 63.86 3huj n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3huj s PHE 56 N -2.09 0.00 0.19 0.66 -0.71 -1.26 -1.90 117.98 112.87 3huj s PHE 56 Ca 0.06 -0.37 0.00 0.00 -1.04 0.00 0.00 56.93 55.58 3huj s PHE 56 Cb 0.00 0.07 0.04 0.00 -1.21 0.00 0.00 43.02 41.92 3huj s PHE 56 CO 0.04 -0.59 0.26 -1.13 -1.34 0.00 0.00 175.22 172.46 3huj n SER 57 N -0.05 0.36 -0.12 1.98 3.41 -0.55 -4.94 113.62 113.71 3huj n SER 57 Ca -0.16 -1.30 0.02 0.00 -0.26 0.00 0.00 58.87 57.17 3huj n SER 57 Cb 0.63 -0.17 0.31 0.00 -0.26 0.00 0.00 64.21 64.72 3huj n SER 57 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3huj h LYS 58 N 0.00 0.80 -0.53 4.33 3.64 -2.03 -1.98 116.57 120.80 3huj h LYS 58 Ca -0.09 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3huj h LYS 58 Cb 0.32 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3huj h LYS 58 CO 0.09 0.54 0.00 -0.40 -2.27 0.00 0.00 179.45 177.42 3huj n ASP 59 N -4.43 1.47 0.00 4.20 5.75 -1.26 -4.89 116.55 117.38 3huj n ASP 59 Ca 0.06 -2.10 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 3huj n ASP 59 Cb 0.06 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 3huj n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3huj n TRP 60 N 0.06 0.00 -2.14 2.11 7.02 -0.74 -5.00 117.44 118.74 3huj n TRP 60 Ca 0.06 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.18 3huj n TRP 60 Cb 0.30 -0.21 0.01 0.00 -2.42 0.00 0.00 31.31 28.99 3huj n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3huj s SER 61 N -3.49 5.67 0.40 -0.99 1.04 -1.26 -4.66 113.70 110.41 3huj s SER 61 Ca 0.00 2.34 -0.09 0.00 0.48 0.00 0.00 55.95 58.68 3huj s SER 61 Cb 0.00 -2.60 -0.06 0.00 0.10 0.00 0.00 66.02 63.46 3huj s SER 61 CO 0.00 -1.26 0.74 -0.36 0.98 0.00 0.00 173.24 173.34 3huj s PHE 62 N -1.60 3.49 0.01 5.02 0.08 0.34 -1.49 117.98 123.83 3huj s PHE 62 Ca 0.71 0.94 -0.16 0.00 0.12 0.00 0.00 56.93 58.54 3huj s PHE 62 Cb -0.29 -2.37 0.03 0.00 -0.57 0.00 0.00 43.02 39.82 3huj s PHE 62 CO 0.33 -0.10 0.34 1.52 -0.10 0.00 0.00 175.22 177.22 3huj s TYR 63 N -2.40 -0.20 -0.08 0.36 -0.85 -0.80 -1.32 117.35 112.06 3huj s TYR 63 Ca 0.49 0.23 -0.05 0.00 -0.52 0.00 0.00 57.07 57.23 3huj s TYR 63 Cb -0.10 0.13 0.03 0.00 0.38 0.00 0.00 41.96 42.40 3huj s TYR 63 CO 0.34 -0.46 0.20 -0.51 -1.52 0.00 0.00 175.55 173.60 3huj s LEU 64 N -1.60 0.81 -0.22 -3.49 1.43 0.74 -2.54 118.68 113.81 3huj s LEU 64 Ca -0.10 0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.30 3huj s LEU 64 Cb -0.03 0.62 -0.05 0.00 0.03 0.00 0.00 46.19 46.76 3huj s LEU 64 CO 0.02 -0.12 0.22 -0.22 0.23 0.00 0.00 176.35 176.48 3huj s LEU 65 N 0.80 4.14 -0.10 1.79 2.96 -1.26 -0.65 118.68 126.36 3huj s LEU 65 Ca -0.06 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3huj s LEU 65 Cb -0.07 -2.22 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 3huj s LEU 65 CO -0.05 0.04 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.56 3huj s TYR 66 N 1.04 2.72 -0.01 5.38 1.51 0.60 -1.73 117.35 126.85 3huj s TYR 66 Ca 0.11 -0.56 -0.13 0.00 -1.01 0.00 0.00 57.07 55.48 3huj s TYR 66 Cb -0.14 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 39.99 3huj s TYR 66 CO 0.05 -0.12 0.27 1.52 -1.11 0.00 0.00 175.55 176.15 3huj s TYR 67 N 0.00 -0.13 -0.01 2.71 1.13 -0.04 0.78 117.35 121.79 3huj s TYR 67 Ca -0.05 0.18 -0.10 0.00 -1.41 0.00 0.00 57.07 55.69 3huj s TYR 67 Cb -0.14 0.06 0.01 0.00 -1.10 0.00 0.00 41.96 40.79 3huj s TYR 67 CO 0.04 -0.36 0.20 -0.08 -2.51 0.00 0.00 175.55 172.85 3huj s THR 68 N -1.30 0.06 0.26 -3.49 -1.32 -0.66 -1.30 115.64 107.89 3huj s THR 68 Ca -0.14 -0.53 -0.29 0.00 -1.21 0.00 0.00 61.69 59.52 3huj s THR 68 Cb -0.06 -0.47 -0.09 0.00 -1.51 0.00 0.00 72.50 70.37 3huj s THR 68 CO 0.03 -0.29 1.19 -0.70 -2.21 0.00 0.00 174.62 172.65 3huj s GLU 69 N -1.15 4.51 0.04 7.08 2.56 -1.26 -0.69 118.70 129.79 3huj s GLU 69 Ca -0.12 1.94 -0.25 0.00 0.00 0.00 0.00 54.97 56.55 3huj s GLU 69 Cb -0.06 -3.18 0.06 0.00 2.00 0.00 0.00 34.13 32.95 3huj s GLU 69 CO 0.02 -0.01 0.57 -0.59 -0.56 0.00 0.00 175.26 174.70 3huj s PHE 70 N -0.74 -0.50 -0.40 5.30 -0.71 -0.94 -4.88 117.98 115.11 3huj s PHE 70 Ca 0.49 0.61 -0.01 0.00 -1.04 0.00 0.00 56.93 56.98 3huj s PHE 70 Cb -0.34 0.40 0.11 0.00 -1.21 0.00 0.00 43.02 41.97 3huj s PHE 70 CO 0.42 -0.67 0.17 0.99 -1.34 0.00 0.00 175.22 174.80 3huj s THR 71 N -2.34 3.05 0.66 -4.49 2.01 -1.26 -1.51 115.64 111.76 3huj s THR 71 Ca -0.06 -2.15 -0.17 0.00 0.31 0.00 0.00 61.69 59.62 3huj s THR 71 Cb -0.01 -3.12 -0.00 0.00 0.01 0.00 0.00 72.50 69.38 3huj s THR 71 CO -0.01 -0.67 1.23 -2.16 -0.69 0.00 0.00 174.62 172.32 3huj s PRO 72 N 1.06 2.56 0.26 4.92 0.04 -1.26 -4.74 135.00 137.83 3huj s PRO 72 Ca 0.09 1.86 0.02 0.00 0.04 0.00 0.00 61.00 63.01 3huj s PRO 72 Cb -0.22 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3huj s PRO 72 CO -0.05 -1.53 0.20 0.95 0.04 0.00 0.00 177.00 176.61 3huj s THR 73 N -1.70 0.00 0.09 1.26 -4.23 -1.26 -0.59 115.64 109.21 3huj s THR 73 Ca 0.77 -1.99 -0.26 0.00 -1.18 0.00 0.00 61.69 59.04 3huj s THR 73 Cb -0.32 -2.50 -0.15 0.00 1.34 0.00 0.00 72.50 70.88 3huj s THR 73 CO 0.39 0.00 1.70 -0.08 -0.54 0.00 0.00 174.62 176.10 3huj h GLU 74 N 2.41 -0.24 0.07 3.99 4.22 -1.99 -3.36 114.58 119.67 3huj h GLU 74 Ca -0.31 0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.14 3huj h GLU 74 Cb 1.24 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3huj h GLU 74 CO 0.46 -0.16 -0.03 0.87 -2.18 0.00 0.00 179.01 177.96 3huj h LYS 75 N -0.25 -0.09 -6.25 1.92 1.57 -2.02 -3.46 116.57 107.98 3huj h LYS 75 Ca -0.02 0.01 -0.68 0.00 -1.87 0.00 0.00 60.65 58.09 3huj h LYS 75 Cb 0.21 0.02 0.03 0.00 0.08 0.00 0.00 32.23 32.58 3huj h LYS 75 CO 0.02 0.48 0.77 -0.25 -0.57 0.00 0.00 179.45 179.90 3huj n ASP 76 N -4.81 2.41 -4.88 0.86 8.00 -1.26 -4.96 116.55 111.90 3huj n ASP 76 Ca -0.08 1.07 -0.36 0.00 0.71 0.00 0.00 54.79 56.14 3huj n ASP 76 Cb 0.30 -1.23 -0.06 0.00 -0.02 0.00 0.00 41.12 40.11 3huj n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3huj s GLU 77 N 2.27 3.43 0.05 -1.24 0.41 -1.26 -4.72 118.70 117.64 3huj s GLU 77 Ca 0.90 -0.18 0.06 0.00 -0.41 0.00 0.00 54.97 55.34 3huj s GLU 77 Cb -0.92 -3.16 -0.02 0.00 -1.78 0.00 0.00 34.13 28.25 3huj s GLU 77 CO 0.54 0.75 -0.17 0.71 -0.49 0.00 0.00 175.26 176.60 3huj s TYR 78 N -1.11 1.49 0.28 1.61 1.51 -1.26 -0.96 117.35 118.91 3huj s TYR 78 Ca 0.18 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.86 3huj s TYR 78 Cb -0.12 -0.87 0.00 0.00 -0.11 0.00 0.00 41.96 40.86 3huj s TYR 78 CO 0.08 0.07 0.38 0.00 -1.11 0.00 0.00 175.55 174.97 3huj n ALA 79 N 1.76 -0.21 -3.71 3.71 0.00 -0.33 0.31 120.51 122.04 3huj n ALA 79 Ca -0.18 -1.31 -0.20 0.00 0.00 0.00 0.00 53.44 51.74 3huj n ALA 79 Cb 0.54 1.06 -0.17 0.00 0.00 0.00 0.00 19.45 20.87 3huj n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huj s ARG 81 N 1.87 3.71 -0.10 0.00 3.52 0.19 -1.76 118.95 126.38 3huj s ARG 81 Ca 0.02 -0.47 0.01 0.00 -0.13 0.00 0.00 55.73 55.16 3huj s ARG 81 Cb -0.12 -3.17 0.02 0.00 -1.56 0.00 0.00 34.95 30.11 3huj s ARG 81 CO -0.03 0.03 -0.14 0.08 -0.81 0.00 0.00 175.30 174.43 3huj s VAL 82 N 1.00 1.36 0.02 7.11 1.01 -0.60 0.38 120.40 130.69 3huj s VAL 82 Ca 0.03 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3huj s VAL 82 Cb -0.14 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3huj s VAL 82 CO 0.02 0.41 -0.08 0.21 0.00 0.00 0.00 175.10 175.66 3huj s ASN 83 N 1.04 4.49 -0.06 3.32 2.47 0.13 -1.35 114.94 124.98 3huj s ASN 83 Ca -0.06 -0.21 -0.29 0.00 0.42 0.00 0.00 52.86 52.71 3huj s ASN 83 Cb -0.15 -0.99 0.10 0.00 -1.45 0.00 0.00 41.25 38.77 3huj s ASN 83 CO -0.02 0.27 0.86 -2.28 -3.72 0.00 0.00 177.10 172.21 3huj s HIS 84 N -1.02 -0.44 0.44 0.43 5.65 -1.26 -0.80 115.29 118.29 3huj s HIS 84 Ca 0.17 0.59 0.24 0.00 0.25 0.00 0.00 55.06 56.32 3huj s HIS 84 Cb -0.11 0.48 1.36 0.00 -1.18 0.00 0.00 32.58 33.13 3huj s HIS 84 CO 0.08 -0.50 2.06 -0.24 -0.65 0.00 0.00 174.74 175.49 3huj h VAL 85 N 2.45 0.71 0.00 0.89 3.04 -1.95 -1.16 116.25 120.22 3huj h VAL 85 Ca -0.23 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 64.94 3huj h VAL 85 Cb 1.19 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 3huj h VAL 85 CO 0.33 0.13 0.00 0.71 -1.01 0.00 0.00 177.57 177.73 3huj h THR 86 N 0.00 0.00 -3.17 3.17 1.35 -1.90 -3.43 112.91 108.93 3huj h THR 86 Ca -0.00 -0.43 -0.60 0.00 -0.55 0.00 0.00 66.41 64.83 3huj h THR 86 Cb 0.31 1.37 -0.10 0.00 -1.73 0.00 0.00 68.15 68.00 3huj h THR 86 CO 0.02 0.00 -0.37 -0.76 -0.25 0.00 0.00 175.52 174.16 3huj s LEU 87 N -5.81 4.28 0.41 3.87 1.43 -0.44 -4.97 118.68 117.45 3huj s LEU 87 Ca 0.01 0.49 0.12 0.00 -1.03 0.00 0.00 54.13 53.73 3huj s LEU 87 Cb 0.09 -2.29 0.86 0.00 0.03 0.00 0.00 46.19 44.88 3huj s LEU 87 CO 0.50 0.18 1.92 0.28 0.23 0.00 0.00 176.35 179.46 3huj h SER 88 N 6.24 0.06 -5.05 2.29 0.02 -1.86 -3.45 113.55 111.82 3huj h SER 88 Ca -0.44 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 3huj h SER 88 Cb 1.18 -0.02 -0.10 0.00 0.14 0.00 0.00 62.40 63.60 3huj h SER 88 CO 0.72 0.30 0.11 0.00 -1.14 0.00 0.00 176.83 176.81 3huj s GLN 89 N -4.53 1.38 0.35 3.45 -2.07 -1.26 -5.15 119.66 111.83 3huj s GLN 89 Ca -0.04 -0.74 -0.28 0.00 -1.82 0.00 0.00 55.36 52.48 3huj s GLN 89 Cb 0.15 0.55 -0.12 0.00 -1.09 0.00 0.00 33.01 32.50 3huj s GLN 89 CO 0.72 -0.60 1.26 -2.30 -1.32 0.00 0.00 175.29 173.05 3huj n PRO 90 N -0.36 2.03 -3.63 9.60 -0.02 -1.26 -4.94 135.00 136.42 3huj n PRO 90 Ca -0.12 0.71 -0.36 0.00 -2.02 0.00 0.00 63.50 61.72 3huj n PRO 90 Cb 0.63 -2.29 -0.08 0.00 -0.02 0.00 0.00 33.50 31.74 3huj n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3huj s LYS 91 N -1.90 4.21 -0.29 -0.52 2.20 -0.46 -4.93 119.74 118.04 3huj s LYS 91 Ca 0.56 -0.08 -0.07 0.00 -0.36 0.00 0.00 55.97 56.02 3huj s LYS 91 Cb -0.57 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.31 3huj s LYS 91 CO 0.62 0.24 0.09 0.42 -0.36 0.00 0.00 175.35 176.36 3huj s ILE 92 N 0.51 4.12 -0.29 5.43 1.01 -1.26 -1.55 121.20 129.17 3huj s ILE 92 Ca 0.12 -0.60 -0.09 0.00 0.00 0.00 0.00 60.65 60.07 3huj s ILE 92 Cb -0.12 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 3huj s ILE 92 CO 0.01 0.10 0.14 -0.69 0.00 0.00 0.00 174.94 174.50 3huj s VAL 93 N 1.53 4.67 0.42 2.92 1.01 -0.72 -4.95 120.40 125.27 3huj s VAL 93 Ca 0.03 -0.24 -0.19 0.00 0.00 0.00 0.00 61.98 61.58 3huj s VAL 93 Cb -0.17 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 3huj s VAL 93 CO 0.03 0.17 0.92 -1.59 0.00 0.00 0.00 175.10 174.63 3huj s LYS 94 N 1.64 4.16 -0.34 2.72 0.00 -1.26 -0.88 119.74 125.77 3huj s LYS 94 Ca 0.06 1.02 -0.26 0.00 0.00 0.00 0.00 55.97 56.79 3huj s LYS 94 Cb -0.16 -2.22 0.01 0.00 0.00 0.00 0.00 37.83 35.46 3huj s LYS 94 CO 0.06 -0.03 0.91 -0.46 0.00 0.00 0.00 175.35 175.84 3huj s TRP 95 N -2.20 3.12 -0.63 1.78 -0.00 0.15 -4.89 118.94 116.27 3huj s TRP 95 Ca 0.60 0.84 -0.16 0.00 -0.00 0.00 0.00 56.10 57.39 3huj s TRP 95 Cb -0.09 -3.53 0.15 0.00 -0.00 0.00 0.00 33.47 30.00 3huj s TRP 95 CO 0.16 -0.75 0.61 0.34 -0.00 0.00 0.00 176.95 177.31 3huj s ASP 96 N 1.77 6.36 0.10 5.86 3.68 -1.26 -4.70 116.67 128.47 3huj s ASP 96 Ca 0.37 -2.02 -0.07 0.00 2.13 0.00 0.00 52.55 52.97 3huj s ASP 96 Cb -0.13 -2.22 0.10 0.00 -1.45 0.00 0.00 42.92 39.22 3huj s ASP 96 CO 0.16 -0.81 0.66 0.54 0.13 0.00 0.00 175.17 175.85 3huj n ARG 97 N 5.02 -0.10 -0.15 4.34 5.12 -1.26 -1.39 116.66 128.24 3huj n ARG 97 Ca -0.05 0.65 -0.10 0.00 -1.93 0.00 0.00 57.85 56.42 3huj n ARG 97 Cb 0.42 -0.97 0.02 0.00 -1.16 0.00 0.00 32.46 30.78 3huj n ARG 97 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3huj h ASP 98 N 0.00 0.98 0.00 0.55 5.19 -2.02 -3.46 116.42 117.67 3huj h ASP 98 Ca 0.15 -0.36 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 3huj h ASP 98 Cb 0.25 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.49 3huj h ASP 98 CO -0.42 1.14 0.00 0.80 -3.12 0.00 0.00 179.24 177.64