#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huw s VAL 2 N 0.00 5.04 0.47 3.17 0.11 -1.26 -1.09 120.40 126.84 3huw s VAL 2 Ca 0.00 1.28 0.08 0.00 -2.93 0.00 0.00 61.98 60.41 3huw s VAL 2 Cb 0.00 -3.98 0.02 0.00 -1.53 0.00 0.00 36.38 30.90 3huw s VAL 2 CO 0.00 0.18 0.56 -0.54 -3.33 0.00 0.00 175.10 171.98 3huw s LYS 3 N 1.35 2.58 -0.37 1.54 1.02 0.16 -3.95 119.74 122.07 3huw s LYS 3 Ca 0.32 -1.48 0.03 0.00 0.02 0.00 0.00 55.97 54.86 3huw s LYS 3 Cb -0.16 -2.58 0.11 0.00 -0.52 0.00 0.00 37.83 34.67 3huw s LYS 3 CO 0.13 -0.42 0.10 0.42 -0.92 0.00 0.00 175.35 174.66 3huw s ILE 4 N -2.49 2.04 0.39 2.17 1.01 -1.02 -1.13 121.20 122.16 3huw s ILE 4 Ca 0.53 -2.35 0.05 0.00 0.00 0.00 0.00 60.65 58.88 3huw s ILE 4 Cb -0.07 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 3huw s ILE 4 CO 0.32 -0.66 0.18 -2.11 0.00 0.00 0.00 174.94 172.67 3huw n ARG 5 N 4.14 0.53 -4.12 2.79 1.85 0.11 -0.75 116.66 121.21 3huw n ARG 5 Ca 0.03 -3.42 -0.33 0.00 -1.00 0.00 0.00 57.85 53.14 3huw n ARG 5 Cb 0.40 2.11 -0.07 0.00 -1.05 0.00 0.00 32.46 33.84 3huw n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3huw s LEU 6 N 0.00 3.85 -0.70 2.89 1.02 -1.26 -0.37 118.68 124.11 3huw s LEU 6 Ca 0.26 0.13 0.05 0.00 0.02 0.00 0.00 54.13 54.59 3huw s LEU 6 Cb 0.01 -2.23 0.20 0.00 0.02 0.00 0.00 46.19 44.19 3huw s LEU 6 CO 0.18 0.28 0.62 0.00 0.02 0.00 0.00 176.35 177.44 3huw n ALA 7 N 1.23 3.70 -0.71 4.21 0.00 -0.88 -4.85 120.51 123.21 3huw n ALA 7 Ca -0.13 -4.63 -0.27 0.00 0.00 0.00 0.00 53.44 48.41 3huw n ALA 7 Cb 0.53 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 3huw n ALA 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3huw n ARG 8 N 1.58 0.00 0.00 0.00 0.63 -1.26 -3.73 116.66 113.88 3huw n ARG 8 Ca 0.24 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 3huw n ARG 8 Cb 0.37 -0.67 0.00 0.00 0.45 0.00 0.00 32.46 32.62 3huw n ARG 8 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3huw n PHE 9 N 0.55 0.00 -4.91 -0.14 3.72 0.66 -4.78 117.46 112.55 3huw n PHE 9 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 3huw n PHE 9 Cb 0.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 3huw n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3huw n GLY 10 N 1.95 1.61 0.00 1.37 0.00 -1.25 -4.15 105.19 104.72 3huw n GLY 10 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3huw n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3huw n SER 11 N -1.85 0.79 -4.80 1.61 7.64 -1.12 -5.00 113.62 110.89 3huw n SER 11 Ca 0.00 -0.07 -0.38 0.00 1.01 0.00 0.00 58.87 59.43 3huw n SER 11 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 3huw n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3huw s LYS 12 N 1.91 4.31 0.00 1.43 2.20 -1.26 -3.43 119.74 124.90 3huw s LYS 12 Ca 0.00 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.49 3huw s LYS 12 Cb 0.00 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 3huw s LYS 12 CO 0.00 0.55 0.00 0.72 -0.36 0.00 0.00 175.35 176.26 3huw n HIS 13 N 1.36 0.00 -3.00 4.03 8.25 -1.26 -4.79 115.22 119.80 3huw n HIS 13 Ca -0.06 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.14 3huw n HIS 13 Cb 0.50 -1.68 -0.04 0.00 1.12 0.00 0.00 29.99 29.90 3huw n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3huw n ASN 14 N -0.38 3.80 -4.70 0.41 5.15 -1.22 -5.08 115.26 113.23 3huw n ASN 14 Ca 0.00 -3.56 -0.53 0.00 -0.60 0.00 0.00 54.58 49.89 3huw n ASN 14 Cb 0.24 -0.57 -0.06 0.00 -0.53 0.00 0.00 39.78 38.85 3huw n ASN 14 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3huw n PRO 15 N -0.11 1.61 -3.40 1.20 -0.02 -1.26 -2.80 135.00 130.21 3huw n PRO 15 Ca 0.30 0.59 -0.18 0.00 -2.02 0.00 0.00 63.50 62.19 3huw n PRO 15 Cb 0.44 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 3huw n PRO 15 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3huw s HIS 16 N 3.89 -0.36 0.54 6.00 3.76 -1.26 -4.16 115.29 123.70 3huw s HIS 16 Ca 0.96 -0.36 -0.07 0.00 -0.15 0.00 0.00 55.06 55.45 3huw s HIS 16 Cb -0.90 -0.49 -0.02 0.00 1.11 0.00 0.00 32.58 32.28 3huw s HIS 16 CO 0.59 -0.92 0.87 0.71 -0.85 0.00 0.00 174.74 175.14 3huw s TYR 17 N 2.16 3.50 -0.33 1.40 1.51 -1.26 -0.25 117.35 124.08 3huw s TYR 17 Ca 0.11 0.87 -0.00 0.00 -1.01 0.00 0.00 57.07 57.03 3huw s TYR 17 Cb -0.14 -2.50 0.11 0.00 -0.11 0.00 0.00 41.96 39.31 3huw s TYR 17 CO -0.27 -0.51 0.12 0.50 -1.11 0.00 0.00 175.55 174.28 3huw s ARG 18 N -4.90 0.78 0.78 -0.62 3.52 -1.24 -2.00 118.95 115.26 3huw s ARG 18 Ca 0.51 -1.21 -0.16 0.00 -0.13 0.00 0.00 55.73 54.73 3huw s ARG 18 Cb -0.10 -1.99 -0.06 0.00 -1.56 0.00 0.00 34.95 31.24 3huw s ARG 18 CO 0.47 -1.02 0.23 -0.89 -0.81 0.00 0.00 175.30 173.27 3huw n ILE 19 N 4.62 0.97 0.00 4.11 2.08 -0.43 -2.07 119.36 128.65 3huw n ILE 19 Ca 0.00 -0.39 0.00 0.00 0.56 0.00 0.00 62.75 62.92 3huw n ILE 19 Cb 0.41 -0.52 0.00 0.00 -0.75 0.00 0.00 39.64 38.78 3huw n ILE 19 CO 0.00 0.00 0.00 0.55 0.56 0.00 0.00 176.55 177.66 3huw n VAL 20 N -2.51 0.00 -3.10 1.39 3.14 0.50 -3.51 118.33 114.24 3huw n VAL 20 Ca 0.07 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.05 3huw n VAL 20 Cb 0.51 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.23 3huw n VAL 20 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3huw s VAL 21 N -2.00 4.97 -0.02 1.55 0.11 -0.79 -0.71 120.40 123.51 3huw s VAL 21 Ca 0.00 1.10 -0.19 0.00 -2.93 0.00 0.00 61.98 59.96 3huw s VAL 21 Cb 0.00 -3.95 0.03 0.00 -1.53 0.00 0.00 36.38 30.93 3huw s VAL 21 CO 0.00 -0.01 0.40 0.28 -3.33 0.00 0.00 175.10 172.44 3huw s THR 22 N 2.54 0.04 0.13 5.04 -1.32 -0.28 -0.33 115.64 121.46 3huw s THR 22 Ca 0.26 -0.36 -0.31 0.00 -1.21 0.00 0.00 61.69 60.07 3huw s THR 22 Cb -0.15 -0.71 -0.09 0.00 -1.51 0.00 0.00 72.50 70.04 3huw s THR 22 CO 0.09 -0.20 1.58 -0.62 -2.21 0.00 0.00 174.62 173.27 3huw s ASP 23 N -1.29 6.61 0.12 8.08 -1.08 -1.26 0.37 116.67 128.21 3huw s ASP 23 Ca -0.13 2.55 -0.22 0.00 -0.52 0.00 0.00 52.55 54.23 3huw s ASP 23 Cb -0.04 -2.58 -0.05 0.00 -1.46 0.00 0.00 42.92 38.79 3huw s ASP 23 CO 0.06 -0.83 1.35 0.00 0.52 0.00 0.00 175.17 176.26 3huw n ALA 24 N 4.53 -0.46 -0.33 3.66 0.00 -0.25 -1.63 120.51 126.02 3huw n ALA 24 Ca 0.14 0.62 0.02 0.00 0.00 0.00 0.00 53.44 54.22 3huw n ALA 24 Cb 0.39 0.02 0.07 0.00 0.00 0.00 0.00 19.45 19.93 3huw n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3huw n ARG 25 N -4.65 -0.16 -0.58 0.00 1.74 -1.26 -4.67 116.66 107.08 3huw n ARG 25 Ca 0.01 1.35 0.00 0.00 -0.77 0.00 0.00 57.85 58.45 3huw n ARG 25 Cb 0.19 -2.02 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 3huw n ARG 25 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3huw n ARG 26 N -5.34 1.96 -4.02 5.56 1.74 -0.65 -4.99 116.66 110.92 3huw n ARG 26 Ca 0.11 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.97 3huw n ARG 26 Cb 0.39 -0.77 -0.03 0.00 -1.02 0.00 0.00 32.46 31.02 3huw n ARG 26 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3huw s LYS 27 N -1.54 3.06 0.00 5.56 -2.85 -1.26 -5.05 119.74 117.66 3huw s LYS 27 Ca 0.00 -0.99 0.00 0.00 -1.00 0.00 0.00 55.97 53.98 3huw s LYS 27 Cb 0.00 -2.66 0.00 0.00 -2.06 0.00 0.00 37.83 33.11 3huw s LYS 27 CO 0.00 0.37 0.00 -2.13 0.10 0.00 0.00 175.35 173.69 3huw n ARG 28 N -1.28 0.00 0.00 1.78 3.00 -1.26 -1.75 116.66 117.15 3huw n ARG 28 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 3huw n ARG 28 Cb 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 32.46 32.99 3huw n ARG 28 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3huw n ASP 29 N 0.00 0.04 -2.96 6.15 10.43 -1.26 -4.78 116.55 124.17 3huw n ASP 29 Ca 0.00 -0.09 -0.05 0.00 2.57 0.00 0.00 54.79 57.22 3huw n ASP 29 Cb 0.00 -0.02 0.05 0.00 1.84 0.00 0.00 41.12 42.99 3huw n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3huw n GLY 30 N 0.37 -3.51 3.56 0.44 0.00 -0.72 -4.93 105.19 100.40 3huw n GLY 30 Ca 0.00 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 3huw n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3huw s LYS 31 N -3.36 3.50 0.65 1.61 2.20 -1.26 -5.03 119.74 118.05 3huw s LYS 31 Ca 0.11 0.09 -0.05 0.00 -0.36 0.00 0.00 55.97 55.77 3huw s LYS 31 Cb -0.02 -3.95 0.05 0.00 -1.51 0.00 0.00 37.83 32.40 3huw s LYS 31 CO 0.09 -1.29 0.94 1.52 -0.36 0.00 0.00 175.35 176.26 3huw s TYR 32 N 3.84 2.97 0.10 4.03 1.13 -1.26 -4.95 117.35 123.21 3huw s TYR 32 Ca 0.36 0.38 -0.12 0.00 -1.41 0.00 0.00 57.07 56.28 3huw s TYR 32 Cb -0.10 -3.02 -0.16 0.00 -1.10 0.00 0.00 41.96 37.58 3huw s TYR 32 CO 0.25 -1.19 1.29 0.82 -2.51 0.00 0.00 175.55 174.22 3huw h ILE 33 N -0.38 1.28 -1.06 -3.49 1.08 -1.06 -3.47 117.51 110.40 3huw h ILE 33 Ca -0.44 -2.02 0.21 0.00 -0.39 0.00 0.00 64.86 62.22 3huw h ILE 33 Cb 1.30 2.04 -0.33 0.00 -3.07 0.00 0.00 36.82 36.76 3huw h ILE 33 CO 0.59 0.64 0.78 -0.70 -0.69 0.00 0.00 178.15 178.77 3huw s GLU 34 N -3.69 0.04 0.49 2.37 2.12 -1.11 -5.00 118.70 113.93 3huw s GLU 34 Ca -0.10 0.07 -0.19 0.00 0.36 0.00 0.00 54.97 55.11 3huw s GLU 34 Cb 0.08 0.01 -0.08 0.00 0.26 0.00 0.00 34.13 34.40 3huw s GLU 34 CO 0.91 -0.01 1.01 0.21 -0.54 0.00 0.00 175.26 176.84 3huw s LYS 35 N 0.85 3.84 0.00 4.30 2.20 -1.26 -1.88 119.74 127.78 3huw s LYS 35 Ca -0.05 1.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 3huw s LYS 35 Cb -0.03 -2.11 0.00 0.00 -1.51 0.00 0.00 37.83 34.18 3huw s LYS 35 CO -0.11 -0.38 0.00 0.44 -0.36 0.00 0.00 175.35 174.94 3huw n ILE 36 N -1.13 0.00 -3.41 5.43 -5.35 -1.23 -4.93 119.36 108.73 3huw n ILE 36 Ca 0.08 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.56 3huw n ILE 36 Cb 0.53 -0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 3huw n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3huw n GLY 37 N 0.66 1.33 3.13 3.28 0.00 -1.25 -2.05 105.19 110.30 3huw n GLY 37 Ca 0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 3huw n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3huw s TYR 38 N -6.07 -0.02 -0.49 1.61 -0.85 -1.14 -1.32 117.35 109.08 3huw s TYR 38 Ca 0.01 -0.01 0.07 0.00 -0.52 0.00 0.00 57.07 56.62 3huw s TYR 38 Cb -0.00 -0.01 0.25 0.00 0.38 0.00 0.00 41.96 42.58 3huw s TYR 38 CO 0.00 -0.30 0.61 0.98 -1.52 0.00 0.00 175.55 175.32 3huw n TYR 39 N 1.51 1.19 -1.53 -3.49 9.36 -0.85 -2.64 117.16 120.71 3huw n TYR 39 Ca -0.22 -3.79 -0.41 0.00 3.32 0.00 0.00 57.90 56.80 3huw n TYR 39 Cb 0.56 -0.43 -0.06 0.00 -0.63 0.00 0.00 39.34 38.78 3huw n TYR 39 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3huw n ASP 40 N 1.20 2.09 0.00 2.98 4.64 -0.69 -4.03 116.55 122.74 3huw n ASP 40 Ca 0.24 -0.12 0.07 0.00 -1.38 0.00 0.00 54.79 53.61 3huw n ASP 40 Cb 0.48 -1.41 0.39 0.00 -1.04 0.00 0.00 41.12 39.55 3huw n ASP 40 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3huw n PRO 41 N 8.73 0.26 -0.05 -0.67 -0.04 -1.26 -3.01 135.00 138.96 3huw n PRO 41 Ca 0.42 0.12 0.10 0.00 -0.04 0.00 0.00 63.50 64.09 3huw n PRO 41 Cb 0.39 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.46 3huw n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3huw n ARG 42 N -1.23 1.93 -4.48 0.54 1.74 -1.26 -4.96 116.66 108.93 3huw n ARG 42 Ca 0.08 -1.82 -0.40 0.00 -0.77 0.00 0.00 57.85 54.94 3huw n ARG 42 Cb 0.11 -1.40 -0.08 0.00 -1.02 0.00 0.00 32.46 30.07 3huw n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3huw n LYS 43 N 1.15 -0.94 -0.01 5.56 4.01 -1.17 -4.71 118.16 122.06 3huw n LYS 43 Ca 0.13 0.15 0.00 0.00 -0.51 0.00 0.00 58.31 58.08 3huw n LYS 43 Cb 0.51 -4.55 0.01 0.00 -0.51 0.00 0.00 35.03 30.49 3huw n LYS 43 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3huw n THR 44 N -4.17 0.03 -3.65 -0.18 -1.04 -1.26 -4.67 114.28 99.33 3huw n THR 44 Ca 0.04 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 61.89 3huw n THR 44 Cb 0.50 -0.06 -0.08 0.00 -1.82 0.00 0.00 70.33 68.87 3huw n THR 44 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3huw s THR 45 N -1.84 -0.00 0.29 12.58 -1.32 -1.26 -5.08 115.64 119.01 3huw s THR 45 Ca 0.01 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.47 3huw s THR 45 Cb 0.01 -0.93 0.40 0.00 -1.51 0.00 0.00 72.50 70.47 3huw s THR 45 CO 0.01 0.00 1.58 1.55 -2.21 0.00 0.00 174.62 175.55 3huw h PRO 46 N 5.28 0.02 -1.81 7.08 0.13 -2.01 -1.23 132.00 139.45 3huw h PRO 46 Ca -0.29 -0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.10 3huw h PRO 46 Cb 1.17 -0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.01 3huw h PRO 46 CO 0.09 0.01 0.90 -0.25 -0.23 0.00 0.00 178.00 178.53 3huw n ASP 47 N -5.50 7.35 0.00 1.44 8.00 -1.26 -4.77 116.55 121.80 3huw n ASP 47 Ca 0.20 -3.82 0.00 0.00 0.71 0.00 0.00 54.79 51.87 3huw n ASP 47 Cb 0.65 -1.01 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 3huw n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3huw n TRP 48 N -0.59 0.00 -3.51 1.24 4.27 -0.47 -4.43 117.44 113.95 3huw n TRP 48 Ca 0.54 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 54.09 3huw n TRP 48 Cb 0.33 -0.12 -0.07 0.00 -1.36 0.00 0.00 31.31 30.08 3huw n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3huw s LEU 49 N -2.12 -0.80 0.18 5.67 2.96 -1.26 -1.70 118.68 121.61 3huw s LEU 49 Ca 0.00 0.84 0.10 0.00 -0.22 0.00 0.00 54.13 54.85 3huw s LEU 49 Cb 0.00 1.51 -0.04 0.00 0.50 0.00 0.00 46.19 48.16 3huw s LEU 49 CO 0.00 -0.25 -0.18 -0.75 -1.32 0.00 0.00 176.35 173.85 3huw s LYS 50 N 2.66 1.74 -0.14 1.98 2.36 -1.08 -5.01 119.74 122.24 3huw s LYS 50 Ca 0.05 -1.40 -0.22 0.00 -2.55 0.00 0.00 55.97 51.84 3huw s LYS 50 Cb -0.13 -1.99 0.06 0.00 -1.05 0.00 0.00 37.83 34.72 3huw s LYS 50 CO -0.15 0.42 0.57 0.08 1.55 0.00 0.00 175.35 177.82 3huw s VAL 51 N -1.64 0.01 -1.02 4.02 1.01 -1.26 -2.88 120.40 118.63 3huw s VAL 51 Ca 0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 3huw s VAL 51 Cb -0.08 -0.84 0.30 0.00 0.00 0.00 0.00 36.38 35.76 3huw s VAL 51 CO 0.12 -0.04 1.41 -0.67 0.00 0.00 0.00 175.10 175.92 3huw n ASP 52 N 2.04 6.15 -0.26 3.32 4.64 -0.87 -4.87 116.55 126.70 3huw n ASP 52 Ca -0.16 -3.43 0.00 0.00 -1.38 0.00 0.00 54.79 49.82 3huw n ASP 52 Cb 0.56 -1.19 0.04 0.00 -1.04 0.00 0.00 41.12 39.49 3huw n ASP 52 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 3huw n VAL 53 N 1.20 -0.35 -0.37 5.18 0.24 -1.26 0.43 118.33 123.40 3huw n VAL 53 Ca 0.27 1.62 -0.10 0.00 -2.04 0.00 0.00 64.34 64.09 3huw n VAL 53 Cb 0.34 -2.15 -0.09 0.00 -1.47 0.00 0.00 33.84 30.47 3huw n VAL 53 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3huw h GLU 54 N 0.00 -0.01 0.11 7.34 4.39 -2.00 0.28 114.58 124.69 3huw h GLU 54 Ca 0.26 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 3huw h GLU 54 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 3huw h GLU 54 CO -0.69 -0.01 -0.05 0.00 -1.16 0.00 0.00 179.01 177.10 3huw h ARG 55 N -0.01 -0.15 -1.79 2.33 2.47 -0.44 -3.05 114.38 113.74 3huw h ARG 55 Ca 0.14 0.01 0.52 0.00 -1.26 0.00 0.00 59.98 59.40 3huw h ARG 55 Cb 0.37 0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 28.65 3huw h ARG 55 CO -0.83 0.35 1.28 0.00 0.56 0.00 0.00 179.97 181.33 3huw h ALA 56 N -0.14 3.66 0.22 0.04 0.00 0.27 3.02 119.26 126.33 3huw h ALA 56 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3huw h ALA 56 Cb 0.56 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3huw h ALA 56 CO 0.03 -2.19 -0.11 0.00 0.00 0.00 0.00 179.25 176.98 3huw h ARG 57 N 0.01 -0.29 -0.27 0.00 2.47 -0.35 -2.80 114.38 113.14 3huw h ARG 57 Ca 0.87 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 59.63 3huw h ARG 57 Cb 3.43 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 31.78 3huw h ARG 57 CO -0.05 0.04 -0.16 0.98 0.56 0.00 0.00 179.97 181.34 3huw n TYR 58 N -5.07 -0.12 0.26 3.04 4.19 1.01 -1.31 117.16 119.15 3huw n TYR 58 Ca -0.09 0.34 -0.16 0.00 3.31 0.00 0.00 57.90 61.31 3huw n TYR 58 Cb 0.24 -0.48 -0.08 0.00 0.49 0.00 0.00 39.34 39.51 3huw n TYR 58 CO 0.00 0.00 0.00 -1.49 0.91 0.00 0.00 176.86 176.28 3huw h TRP 59 N 0.00 -0.57 -1.00 2.98 4.06 -1.63 -1.82 115.95 117.97 3huw h TRP 59 Ca 0.04 -0.01 0.37 0.00 2.06 0.00 0.00 58.89 61.36 3huw h TRP 59 Cb 0.11 0.19 -0.13 0.00 -1.00 0.00 0.00 29.16 28.33 3huw h TRP 59 CO -0.86 -0.32 0.61 1.28 -3.56 0.00 0.00 178.44 175.58 3huw n LEU 60 N -5.33 0.23 0.00 -4.49 4.77 -0.97 -0.76 117.00 110.45 3huw n LEU 60 Ca -0.11 1.25 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 3huw n LEU 60 Cb 0.27 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3huw n LEU 60 CO 0.36 -1.38 0.31 -0.24 -1.33 0.00 0.00 177.39 175.11 3huw n SER 61 N -4.59 0.00 -1.47 -1.43 2.88 -0.43 -3.26 113.62 105.32 3huw n SER 61 Ca 0.33 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 3huw n SER 61 Cb 1.20 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.54 3huw n SER 61 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3huw n VAL 62 N -1.02 0.29 -0.78 2.46 0.24 0.06 -4.78 118.33 114.80 3huw n VAL 62 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3huw n VAL 62 Cb 0.00 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 31.51 3huw n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3huw n GLY 63 N 1.43 -4.04 0.00 7.63 0.00 -1.19 -5.05 105.19 103.97 3huw n GLY 63 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3huw n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huw n ALA 64 N -0.09 0.00 -2.04 4.61 0.00 -1.26 -4.77 120.51 116.96 3huw n ALA 64 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3huw n ALA 64 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3huw n ALA 64 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3huw s GLN 65 N 0.00 4.39 0.74 0.00 -1.52 -1.25 -4.55 119.66 117.47 3huw s GLN 65 Ca 0.00 2.03 -0.03 0.00 -1.95 0.00 0.00 55.36 55.40 3huw s GLN 65 Cb 0.00 -3.21 0.13 0.00 -0.22 0.00 0.00 33.01 29.71 3huw s GLN 65 CO 0.00 -0.25 1.03 -1.25 -0.25 0.00 0.00 175.29 174.56 3huw s PRO 66 N 0.05 1.61 0.53 2.91 0.04 -1.26 -2.43 135.00 136.44 3huw s PRO 66 Ca 0.57 -0.94 -0.09 0.00 0.04 0.00 0.00 61.00 60.58 3huw s PRO 66 Cb -0.36 -2.26 0.14 0.00 0.04 0.00 0.00 34.50 32.06 3huw s PRO 66 CO 0.37 -1.53 0.34 2.41 0.04 0.00 0.00 177.00 178.63 3huw n THR 67 N -2.95 0.00 -0.06 1.26 -1.04 0.07 -4.74 114.28 106.82 3huw n THR 67 Ca 0.14 -0.04 -0.04 0.00 -2.04 0.00 0.00 64.05 62.07 3huw n THR 67 Cb 0.60 -0.52 -0.02 0.00 -1.82 0.00 0.00 70.33 68.57 3huw n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3huw h ASP 68 N -2.40 0.00 0.00 8.00 5.19 -1.97 -3.21 116.42 122.02 3huw h ASP 68 Ca -0.15 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 3huw h ASP 68 Cb 0.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.00 3huw h ASP 68 CO 0.09 0.68 0.00 0.35 -3.12 0.00 0.00 179.24 177.24 3huw n THR 69 N -4.69 0.00 0.01 0.35 -2.24 -1.26 -2.40 114.28 104.05 3huw n THR 69 Ca -0.05 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3huw n THR 69 Cb 0.17 -0.84 -0.00 0.00 -2.10 0.00 0.00 70.33 67.55 3huw n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3huw h ALA 70 N 2.55 -0.39 0.00 6.98 0.00 -1.87 -3.17 119.26 123.34 3huw h ALA 70 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3huw h ALA 70 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3huw h ALA 70 CO 0.00 -0.39 0.11 2.89 0.00 0.00 0.00 179.25 181.85 3huw n ARG 71 N -2.10 0.12 0.00 0.00 1.85 -1.01 0.25 116.66 115.77 3huw n ARG 71 Ca -0.00 0.61 0.09 0.00 -1.00 0.00 0.00 57.85 57.55 3huw n ARG 71 Cb 0.01 -2.00 0.51 0.00 -1.05 0.00 0.00 32.46 29.93 3huw n ARG 71 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3huw n ARG 72 N -2.16 0.42 0.00 2.89 0.63 -1.03 0.79 116.66 118.19 3huw n ARG 72 Ca -0.01 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 3huw n ARG 72 Cb 0.13 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.54 3huw n ARG 72 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3huw n LEU 73 N -1.14 0.00 -0.06 6.15 4.77 0.14 -4.34 117.00 122.52 3huw n LEU 73 Ca 0.11 -0.29 -0.10 0.00 -0.03 0.00 0.00 56.01 55.71 3huw n LEU 73 Cb 0.10 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.05 3huw n LEU 73 CO 0.12 0.00 -0.84 0.18 -1.33 0.00 0.00 177.39 175.52 3huw n LEU 74 N -1.14 0.61 0.16 2.23 4.77 -0.60 -2.92 117.00 120.10 3huw n LEU 74 Ca 0.00 0.21 -0.14 0.00 -0.03 0.00 0.00 56.01 56.05 3huw n LEU 74 Cb 0.00 0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 3huw n LEU 74 CO 0.00 0.47 0.68 -0.09 -1.33 0.00 0.00 177.39 177.12 3huw h ARG 75 N 0.00 -0.35 -0.02 3.23 2.43 0.13 -1.59 114.38 118.20 3huw h ARG 75 Ca -0.42 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 58.78 3huw h ARG 75 Cb 2.12 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 31.75 3huw h ARG 75 CO 0.05 -0.12 0.02 0.37 -1.51 0.00 0.00 179.97 178.79 3huw h GLN 76 N -0.54 0.00 -0.68 0.20 4.15 -1.76 0.48 115.11 116.96 3huw h GLN 76 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 3huw h GLN 76 Cb 0.40 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 3huw h GLN 76 CO 0.06 0.00 0.02 0.00 -1.93 0.00 0.00 178.83 176.98 3huw n ALA 77 N -2.33 3.66 -3.54 3.38 0.00 -0.86 -4.96 120.51 115.87 3huw n ALA 77 Ca -0.02 -1.55 -0.34 0.00 0.00 0.00 0.00 53.44 51.53 3huw n ALA 77 Cb 0.11 -1.11 0.03 0.00 0.00 0.00 0.00 19.45 18.48 3huw n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huw n GLY 78 N 0.45 -0.26 0.02 0.00 0.00 0.17 -4.92 105.19 100.65 3huw n GLY 78 Ca 0.23 1.04 -0.01 0.00 0.00 0.00 0.00 46.02 47.28 3huw n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3huw n VAL 79 N -0.78 0.30 0.99 1.61 0.31 -0.66 -4.50 118.33 115.61 3huw n VAL 79 Ca -0.13 -0.24 0.12 0.00 -0.01 0.00 0.00 64.34 64.08 3huw n VAL 79 Cb 0.68 -0.40 0.29 0.00 -0.91 0.00 0.00 33.84 33.49 3huw n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3huw n PHE 80 N -2.07 0.01 -1.81 3.52 3.01 -1.26 -4.68 117.46 114.18 3huw n PHE 80 Ca -0.08 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.18 3huw n PHE 80 Cb 0.53 -0.28 -0.07 0.00 -0.01 0.00 0.00 39.48 39.65 3huw n PHE 80 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3huw s ARG 81 N -3.00 1.96 0.46 -1.08 3.52 -1.26 -4.72 118.95 114.83 3huw s ARG 81 Ca 0.11 -0.20 0.30 0.00 -0.13 0.00 0.00 55.73 55.81 3huw s ARG 81 Cb 0.18 -4.98 1.61 0.00 -1.56 0.00 0.00 34.95 30.20 3huw s ARG 81 CO 0.68 -4.24 1.90 -0.56 -0.81 0.00 0.00 175.30 172.27 3huw h GLN 82 N 11.56 0.00 0.00 5.12 -0.00 -1.96 -3.47 115.11 126.35 3huw h GLN 82 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 3huw h GLN 82 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.47 3huw h GLN 82 CO 1.11 0.00 0.00 0.39 -0.00 0.00 0.00 178.83 180.33 3huw n GLU 83 N -2.56 0.00 0.00 0.06 -0.58 -1.26 -5.24 120.64 111.06 3huw n GLU 83 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 3huw n GLU 83 Cb 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 3huw n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65