#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huw s ARG 2 N 0.00 0.65 -0.10 0.03 0.52 0.26 -4.66 118.95 115.65 3huw s ARG 2 Ca 0.00 1.00 -0.29 0.00 -0.52 0.00 0.00 55.73 55.92 3huw s ARG 2 Cb 0.00 0.20 -0.05 0.00 0.52 0.00 0.00 34.95 35.62 3huw s ARG 2 CO 0.00 -0.12 1.66 0.50 0.02 0.00 0.00 175.30 177.36 3huw s ARG 3 N 1.15 4.05 0.10 3.54 6.06 -1.26 -2.00 118.95 130.61 3huw s ARG 3 Ca -0.06 2.05 0.07 0.00 -2.50 0.00 0.00 55.73 55.29 3huw s ARG 3 Cb -0.05 -4.01 -0.03 0.00 0.06 0.00 0.00 34.95 30.92 3huw s ARG 3 CO -0.13 -0.99 -0.17 0.71 -2.50 0.00 0.00 175.30 172.22 3huw s TYR 4 N 4.45 1.54 -0.50 5.12 2.02 0.99 -1.39 117.35 129.58 3huw s TYR 4 Ca 0.74 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.97 3huw s TYR 4 Cb -0.31 -0.83 0.13 0.00 -0.40 0.00 0.00 41.96 40.55 3huw s TYR 4 CO 0.29 0.16 0.27 -1.21 -1.57 0.00 0.00 175.55 173.50 3huw s GLU 5 N -2.11 2.10 0.13 -0.62 2.02 -0.79 0.27 118.70 119.69 3huw s GLU 5 Ca 0.05 -2.29 -0.31 0.00 0.02 0.00 0.00 54.97 52.45 3huw s GLU 5 Cb -0.08 -3.50 -0.08 0.00 0.10 0.00 0.00 34.13 30.57 3huw s GLU 5 CO 0.04 -1.09 1.32 0.08 0.02 0.00 0.00 175.26 175.62 3huw s VAL 6 N 0.31 3.43 0.18 2.63 1.01 -1.21 -2.36 120.40 124.39 3huw s VAL 6 Ca 0.14 1.08 0.11 0.00 0.00 0.00 0.00 61.98 63.31 3huw s VAL 6 Cb -0.22 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3huw s VAL 6 CO -0.03 0.11 -0.22 0.20 0.00 0.00 0.00 175.10 175.15 3huw s ASN 7 N 0.81 3.54 0.19 3.32 0.02 -1.20 -1.27 114.94 120.35 3huw s ASN 7 Ca 0.60 -0.80 -0.17 0.00 -1.02 0.00 0.00 52.86 51.48 3huw s ASN 7 Cb -0.35 -0.32 0.02 0.00 0.02 0.00 0.00 41.25 40.63 3huw s ASN 7 CO 0.33 0.13 0.50 -0.63 0.02 0.00 0.00 177.10 177.45 3huw s ILE 8 N -1.56 0.03 -0.15 0.60 1.01 -1.25 -2.43 121.20 117.45 3huw s ILE 8 Ca 0.20 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 3huw s ILE 8 Cb -0.08 -1.60 0.06 0.00 0.01 0.00 0.00 42.46 40.85 3huw s ILE 8 CO 0.10 -0.13 0.35 -0.69 0.00 0.00 0.00 174.94 174.57 3huw s VAL 9 N -3.88 -0.17 0.15 2.92 1.01 -1.17 -3.08 120.40 116.17 3huw s VAL 9 Ca 0.10 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.22 3huw s VAL 9 Cb -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.84 3huw s VAL 9 CO -0.03 0.06 0.02 0.18 0.00 0.00 0.00 175.10 175.34 3huw n LEU 10 N 4.55 0.00 -4.69 3.92 4.32 0.57 -0.41 117.00 125.25 3huw n LEU 10 Ca -0.20 -0.88 -0.42 0.00 -0.02 0.00 0.00 56.01 54.49 3huw n LEU 10 Cb 0.53 0.08 -0.03 0.00 -1.62 0.00 0.00 43.42 42.38 3huw n LEU 10 CO 0.08 -0.17 1.06 0.21 -1.22 0.00 0.00 177.39 177.34 3huw s ASN 11 N -1.81 6.92 -0.01 -1.43 3.84 -0.89 -3.00 114.94 118.56 3huw s ASN 11 Ca 0.02 2.02 0.03 0.00 0.21 0.00 0.00 52.86 55.14 3huw s ASN 11 Cb -0.00 -2.56 0.12 0.00 -0.55 0.00 0.00 41.25 38.26 3huw s ASN 11 CO 0.01 -0.67 0.96 -0.81 -2.79 0.00 0.00 177.10 173.80 3huw n PRO 12 N 5.26 1.42 -2.37 0.43 -0.04 -1.26 -3.79 135.00 134.64 3huw n PRO 12 Ca 0.12 -0.48 -0.18 0.00 -0.04 0.00 0.00 63.50 62.93 3huw n PRO 12 Cb 0.44 -1.29 0.02 0.00 -0.04 0.00 0.00 33.50 32.64 3huw n PRO 12 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3huw n ASN 13 N -0.05 3.78 -4.02 3.54 3.02 -1.26 -4.95 115.26 115.32 3huw n ASN 13 Ca 0.04 -3.25 -0.31 0.00 -0.03 0.00 0.00 54.58 51.03 3huw n ASN 13 Cb 0.21 -0.42 -0.16 0.00 -0.61 0.00 0.00 39.78 38.81 3huw n ASN 13 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3huw s LEU 14 N -3.58 2.74 0.62 3.41 1.43 -1.25 -5.10 118.68 116.96 3huw s LEU 14 Ca 0.43 -1.12 -0.17 0.00 -1.03 0.00 0.00 54.13 52.23 3huw s LEU 14 Cb 0.39 -1.35 -0.09 0.00 0.03 0.00 0.00 46.19 45.17 3huw s LEU 14 CO -0.03 -0.17 0.27 -0.90 0.23 0.00 0.00 176.35 175.75 3huw n ASP 15 N 4.59 -2.10 -0.28 2.29 5.68 -1.26 -3.93 116.55 121.53 3huw n ASP 15 Ca -0.14 0.64 0.26 0.00 -0.50 0.00 0.00 54.79 55.04 3huw n ASP 15 Cb 0.45 -1.07 0.45 0.00 -1.14 0.00 0.00 41.12 39.80 3huw n ASP 15 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3huw n GLN 16 N 0.33 -0.03 0.16 0.11 1.13 -1.26 -0.80 117.38 117.02 3huw n GLN 16 Ca 0.09 0.92 -0.07 0.00 -1.94 0.00 0.00 57.00 56.01 3huw n GLN 16 Cb 0.49 -1.74 -0.03 0.00 0.11 0.00 0.00 30.24 29.07 3huw n GLN 16 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 3huw h SER 17 N 0.00 -0.38 0.03 1.08 0.02 -2.00 -2.86 113.55 109.45 3huw h SER 17 Ca 0.61 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.58 3huw h SER 17 Cb 1.81 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 64.44 3huw h SER 17 CO -0.42 -0.26 -0.06 1.56 -1.14 0.00 0.00 176.83 176.51 3huw h GLN 18 N -0.42 -0.12 0.00 3.45 4.20 -1.25 -1.52 115.11 119.46 3huw h GLN 18 Ca -0.04 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3huw h GLN 18 Cb 0.32 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3huw h GLN 18 CO 0.06 -0.08 0.03 -0.11 -0.67 0.00 0.00 178.83 178.06 3huw n LEU 19 N -5.17 0.00 -0.03 1.46 0.00 -0.67 0.19 117.00 112.78 3huw n LEU 19 Ca -0.07 0.23 0.04 0.00 0.00 0.00 0.00 56.01 56.22 3huw n LEU 19 Cb 0.10 -0.23 -0.14 0.00 0.00 0.00 0.00 43.42 43.15 3huw n LEU 19 CO 0.31 -0.23 -0.81 0.00 0.00 0.00 0.00 177.39 176.65 3huw n ALA 20 N -1.20 2.34 0.12 1.96 0.00 -0.61 -3.54 120.51 119.58 3huw n ALA 20 Ca 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 53.44 52.78 3huw n ALA 20 Cb 0.03 -0.46 0.16 0.00 0.00 0.00 0.00 19.45 19.18 3huw n ALA 20 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3huw h LEU 21 N 0.00 0.12 0.01 0.00 -0.00 0.25 -2.25 115.31 113.45 3huw h LEU 21 Ca -0.14 -0.07 -0.15 0.00 -0.00 0.00 0.00 57.88 57.53 3huw h LEU 21 Cb 1.19 -0.04 0.01 0.00 -0.00 0.00 0.00 40.66 41.83 3huw h LEU 21 CO 0.01 0.69 -0.58 -0.33 -0.00 0.00 0.00 178.44 178.23 3huw h GLU 22 N 0.08 0.37 -0.57 1.13 4.39 -1.38 -2.60 114.58 115.99 3huw h GLU 22 Ca -0.01 -0.41 0.11 0.00 0.34 0.00 0.00 59.36 59.39 3huw h GLU 22 Cb 1.08 0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 29.76 3huw h GLU 22 CO 0.08 1.10 0.08 0.87 -1.16 0.00 0.00 179.01 179.98 3huw h LYS 23 N -0.18 0.20 0.33 2.33 1.57 -1.58 0.14 116.57 119.38 3huw h LYS 23 Ca -0.08 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3huw h LYS 23 Cb 1.31 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3huw h LYS 23 CO 0.11 0.13 -0.17 1.05 -0.57 0.00 0.00 179.45 180.00 3huw h GLU 24 N 0.20 -0.45 -0.29 3.15 4.11 -1.47 0.04 114.58 119.88 3huw h GLU 24 Ca 0.30 0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.80 3huw h GLU 24 Cb 0.45 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 3huw h GLU 24 CO -0.42 -0.30 -0.51 0.82 0.07 0.00 0.00 179.01 178.67 3huw h ILE 25 N -0.46 0.00 -0.81 -1.06 1.08 -0.79 0.31 117.51 115.77 3huw h ILE 25 Ca -0.04 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.57 3huw h ILE 25 Cb 0.37 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.02 3huw h ILE 25 CO 0.06 0.00 0.40 0.40 -0.69 0.00 0.00 178.15 178.32 3huw h ILE 26 N -0.43 0.72 -0.10 -0.67 2.04 -0.66 -0.43 117.51 117.96 3huw h ILE 26 Ca 0.05 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.75 3huw h ILE 26 Cb 0.58 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 3huw h ILE 26 CO -0.50 0.10 -0.11 1.56 0.00 0.00 0.00 178.15 179.20 3huw h GLN 27 N 0.57 -0.14 -0.34 2.37 1.08 0.12 -1.88 115.11 116.90 3huw h GLN 27 Ca 0.44 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.71 3huw h GLN 27 Cb 0.63 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 28.03 3huw h GLN 27 CO -0.37 -0.09 -0.01 0.00 -0.95 0.00 0.00 178.83 177.41 3huw h ARG 28 N -0.14 0.08 0.22 1.46 3.08 0.11 -2.55 114.38 116.63 3huw h ARG 28 Ca 0.08 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3huw h ARG 28 Cb 0.25 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3huw h ARG 28 CO -0.19 0.05 -0.13 0.00 -1.07 0.00 0.00 179.97 178.63 3huw h ALA 29 N 1.30 -1.00 -0.81 0.04 0.00 -1.11 -2.21 119.26 115.47 3huw h ALA 29 Ca 0.16 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.11 3huw h ALA 29 Cb 0.23 0.24 -0.12 0.00 0.00 0.00 0.00 17.79 18.14 3huw h ALA 29 CO -0.28 -0.99 -0.37 1.28 0.00 0.00 0.00 179.25 178.89 3huw n LEU 30 N -3.06 -0.63 0.02 0.00 4.77 -0.73 -1.02 117.00 116.37 3huw n LEU 30 Ca -0.04 1.42 -0.10 0.00 -0.03 0.00 0.00 56.01 57.26 3huw n LEU 30 Cb 0.14 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 3huw n LEU 30 CO 0.09 -1.24 0.71 -0.08 -1.33 0.00 0.00 177.39 175.55 3huw h GLU 31 N 0.00 -0.30 -0.99 3.23 4.81 -1.37 -0.97 114.58 118.99 3huw h GLU 31 Ca 0.23 0.02 0.21 0.00 -0.13 0.00 0.00 59.36 59.69 3huw h GLU 31 Cb 0.44 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.78 3huw h GLU 31 CO -0.79 -0.20 0.62 -0.91 -0.73 0.00 0.00 179.01 177.00 3huw h ASN 32 N -0.31 0.66 -0.70 1.04 -0.26 -0.42 0.22 115.58 115.81 3huw h ASN 32 Ca 0.08 0.09 -0.40 0.00 -0.56 0.00 0.00 56.30 55.51 3huw h ASN 32 Cb 0.43 -0.03 -0.16 0.00 -1.06 0.00 0.00 38.32 37.51 3huw h ASN 32 CO -0.25 0.21 0.41 -1.22 -1.06 0.00 0.00 177.43 175.52 3huw n TYR 33 N -4.71 1.59 -3.26 1.19 4.02 -0.94 -4.84 117.16 110.22 3huw n TYR 33 Ca 0.23 -1.99 -0.25 0.00 -0.01 0.00 0.00 57.90 55.89 3huw n TYR 33 Cb 0.65 -1.14 -0.05 0.00 -0.02 0.00 0.00 39.34 38.79 3huw n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3huw n GLY 34 N 0.53 -0.25 2.60 2.72 0.00 0.76 -4.63 105.19 106.93 3huw n GLY 34 Ca 0.38 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 3huw n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huw n ALA 35 N -2.61 6.45 -1.68 4.61 0.00 -0.41 -4.31 120.51 122.56 3huw n ALA 35 Ca 0.07 -4.15 -0.57 0.00 0.00 0.00 0.00 53.44 48.78 3huw n ALA 35 Cb 0.28 -2.36 -0.07 0.00 0.00 0.00 0.00 19.45 17.30 3huw n ALA 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3huw n ARG 36 N 0.61 1.10 -0.74 0.00 0.00 -1.01 -4.54 116.66 112.08 3huw n ARG 36 Ca 0.54 0.39 -0.31 0.00 -0.00 0.00 0.00 57.85 58.47 3huw n ARG 36 Cb 0.29 -2.11 0.16 0.00 0.00 0.00 0.00 32.46 30.81 3huw n ARG 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3huw s VAL 37 N 3.95 2.17 -0.05 5.15 1.01 -1.26 -1.44 120.40 129.93 3huw s VAL 37 Ca 1.00 0.06 0.05 0.00 0.00 0.00 0.00 61.98 63.09 3huw s VAL 37 Cb -1.08 -2.12 0.12 0.00 0.00 0.00 0.00 36.38 33.30 3huw s VAL 37 CO 0.65 -0.07 1.09 -0.62 0.00 0.00 0.00 175.10 176.15 3huw n GLU 38 N -4.20 0.21 0.00 2.72 1.02 -0.39 -4.77 120.64 115.22 3huw n GLU 38 Ca 0.11 -1.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.04 3huw n GLU 38 Cb 0.52 0.38 0.00 0.00 -0.02 0.00 0.00 31.44 32.32 3huw n GLU 38 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3huw n LYS 39 N -0.14 0.00 0.00 3.49 3.00 -1.20 -4.78 118.16 118.53 3huw n LYS 39 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.09 3huw n LYS 39 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.81 3huw n LYS 39 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 3huw n VAL 40 N -1.34 0.00 -3.80 3.15 3.14 -1.26 -3.82 118.33 114.40 3huw n VAL 40 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 3huw n VAL 40 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 3huw n VAL 40 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3huw s GLU 41 N 0.00 2.50 -1.23 1.45 2.02 -0.84 -4.98 118.70 117.62 3huw s GLU 41 Ca 0.00 -1.28 -0.11 0.00 0.02 0.00 0.00 54.97 53.60 3huw s GLU 41 Cb 0.00 -3.40 0.18 0.00 0.10 0.00 0.00 34.13 31.01 3huw s GLU 41 CO 0.00 -0.70 1.62 -1.91 0.02 0.00 0.00 175.26 174.29 3huw n GLU 42 N 4.74 3.53 0.00 1.61 2.13 -1.26 -2.86 120.64 128.53 3huw n GLU 42 Ca -0.12 -3.76 0.00 0.00 0.66 0.00 0.00 57.16 53.94 3huw n GLU 42 Cb 0.44 -2.95 0.00 0.00 0.27 0.00 0.00 31.44 29.20 3huw n GLU 42 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3huw n LEU 43 N 4.58 0.00 0.00 4.31 4.32 -1.24 -4.80 117.00 124.16 3huw n LEU 43 Ca 0.37 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.38 3huw n LEU 43 Cb 0.39 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 3huw n LEU 43 CO 0.71 -0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.47 3huw n GLY 44 N -0.72 3.02 3.92 -0.72 0.00 -1.25 -4.72 105.19 104.73 3huw n GLY 44 Ca 0.00 0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 3huw n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3huw s LEU 45 N 0.00 3.11 0.00 0.99 2.96 -1.26 -0.08 118.68 124.40 3huw s LEU 45 Ca 0.00 -0.93 0.00 0.00 -0.22 0.00 0.00 54.13 52.98 3huw s LEU 45 Cb 0.00 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.99 3huw s LEU 45 CO 0.00 -0.94 0.00 0.54 -1.32 0.00 0.00 176.35 174.63 3huw n ARG 46 N -1.77 0.00 -2.24 1.98 5.12 -1.12 -4.82 116.66 113.82 3huw n ARG 46 Ca 0.04 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.59 3huw n ARG 46 Cb 0.62 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.92 3huw n ARG 46 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3huw s ARG 47 N 0.00 3.68 0.37 5.56 0.52 -1.26 -2.01 118.95 125.81 3huw s ARG 47 Ca 0.00 1.77 0.07 0.00 -0.52 0.00 0.00 55.73 57.05 3huw s ARG 47 Cb 0.00 -2.35 -0.01 0.00 0.52 0.00 0.00 34.95 33.11 3huw s ARG 47 CO 0.00 -0.62 0.46 -0.51 0.02 0.00 0.00 175.30 174.65 3huw s LEU 48 N -3.14 3.75 0.00 2.53 1.43 0.65 -4.91 118.68 118.98 3huw s LEU 48 Ca 0.65 -0.38 0.27 0.00 -1.03 0.00 0.00 54.13 53.65 3huw s LEU 48 Cb -0.28 -2.55 0.91 0.00 0.03 0.00 0.00 46.19 44.30 3huw s LEU 48 CO 0.34 -0.54 1.66 0.00 0.23 0.00 0.00 176.35 178.04 3huw n ALA 49 N -1.65 2.68 -3.64 4.21 0.00 -1.26 -4.85 120.51 115.99 3huw n ALA 49 Ca 0.02 -0.46 -0.06 0.00 0.00 0.00 0.00 53.44 52.95 3huw n ALA 49 Cb 0.59 -1.12 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 3huw n ALA 49 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3huw s TYR 50 N -2.10 -0.56 0.24 0.00 1.13 -1.26 -5.14 117.35 109.66 3huw s TYR 50 Ca 0.34 1.20 -0.31 0.00 -1.41 0.00 0.00 57.07 56.89 3huw s TYR 50 Cb 0.21 0.37 -0.13 0.00 -1.10 0.00 0.00 41.96 41.30 3huw s TYR 50 CO 0.37 -0.27 1.41 -0.35 -2.51 0.00 0.00 175.55 174.20 3huw n PRO 51 N 3.09 2.05 -4.94 -3.49 -0.04 -1.26 -4.91 135.00 125.50 3huw n PRO 51 Ca -0.16 0.73 -0.32 0.00 -0.04 0.00 0.00 63.50 63.71 3huw n PRO 51 Cb 0.57 -2.39 -0.17 0.00 -0.04 0.00 0.00 33.50 31.47 3huw n PRO 51 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3huw s ILE 52 N -0.06 2.02 -1.51 0.52 1.01 -0.49 -4.56 121.20 118.13 3huw s ILE 52 Ca 0.68 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 3huw s ILE 52 Cb -0.64 -1.77 0.08 0.00 0.01 0.00 0.00 42.46 40.13 3huw s ILE 52 CO 0.50 0.55 0.88 0.00 0.00 0.00 0.00 174.94 176.86 3huw n ALA 53 N 3.79 -1.44 0.00 9.38 0.00 -1.26 -2.52 120.51 128.46 3huw n ALA 53 Ca -0.20 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3huw n ALA 53 Cb 0.52 -3.77 0.00 0.00 0.00 0.00 0.00 19.45 16.20 3huw n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3huw n LYS 54 N -4.57 0.00 -1.43 0.00 4.76 -1.26 -4.96 118.16 110.70 3huw n LYS 54 Ca -0.03 0.00 -0.47 0.00 -2.87 0.00 0.00 58.31 54.94 3huw n LYS 54 Cb 0.56 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.72 3huw n LYS 54 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3huw n ASP 55 N 3.34 -0.90 -0.20 4.39 -0.08 -1.05 -4.57 116.55 117.48 3huw n ASP 55 Ca 0.00 1.10 0.13 0.00 -1.51 0.00 0.00 54.79 54.51 3huw n ASP 55 Cb 0.00 -1.01 0.42 0.00 2.34 0.00 0.00 41.12 42.87 3huw n ASP 55 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3huw n PRO 56 N 0.96 0.76 -4.55 -0.67 -0.04 -1.26 -1.40 135.00 128.80 3huw n PRO 56 Ca 0.16 -0.41 -0.26 0.00 -0.04 0.00 0.00 63.50 62.95 3huw n PRO 56 Cb 0.28 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.16 3huw n PRO 56 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3huw s GLN 57 N -2.52 1.89 -0.28 0.54 -0.21 -1.26 -0.25 119.66 117.57 3huw s GLN 57 Ca 0.25 -2.13 -0.26 0.00 0.02 0.00 0.00 55.36 53.24 3huw s GLN 57 Cb 0.19 -0.93 0.16 0.00 1.00 0.00 0.00 33.01 33.44 3huw s GLN 57 CO 0.52 -0.33 1.27 0.20 -2.12 0.00 0.00 175.29 174.82 3huw s GLY 58 N -3.62 0.11 -0.03 3.09 0.00 -0.85 -4.61 107.32 101.41 3huw s GLY 58 Ca 0.25 3.03 -0.29 0.00 0.00 0.00 0.00 44.72 47.72 3huw s GLY 58 CO 0.13 1.70 0.92 -0.47 0.00 0.00 0.00 173.10 175.39 3huw s TYR 59 N -0.18 3.62 0.25 1.90 5.04 -1.16 -2.77 117.35 124.05 3huw s TYR 59 Ca 0.05 1.59 0.07 0.00 -2.44 0.00 0.00 57.07 56.34 3huw s TYR 59 Cb -0.04 -3.06 -0.03 0.00 0.35 0.00 0.00 41.96 39.17 3huw s TYR 59 CO -0.10 -0.02 0.23 -0.06 -1.34 0.00 0.00 175.55 174.27 3huw s PHE 60 N 1.09 3.17 0.24 4.97 0.40 0.89 -0.32 117.98 128.41 3huw s PHE 60 Ca 0.49 -0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.74 3huw s PHE 60 Cb -0.20 -1.45 -0.01 0.00 0.51 0.00 0.00 43.02 41.87 3huw s PHE 60 CO 0.25 0.49 0.26 1.28 0.70 0.00 0.00 175.22 178.19 3huw n LEU 61 N -1.24 0.00 0.00 -0.37 4.32 -1.18 -3.66 117.00 114.88 3huw n LEU 61 Ca -0.08 -2.14 0.00 0.00 -0.02 0.00 0.00 56.01 53.77 3huw n LEU 61 Cb 0.58 1.42 0.00 0.00 -1.62 0.00 0.00 43.42 43.80 3huw n LEU 61 CO 0.43 -0.41 0.00 1.87 -1.22 0.00 0.00 177.39 178.07 3huw n TRP 62 N -0.43 0.00 -3.40 -1.77 -0.00 -1.13 -3.95 117.44 106.76 3huw n TRP 62 Ca 0.03 0.00 -0.27 0.00 -0.00 0.00 0.00 57.50 57.27 3huw n TRP 62 Cb 0.42 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.63 3huw n TRP 62 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 3huw s TYR 63 N -0.16 0.77 -0.48 5.87 4.12 -0.39 -1.98 117.35 125.09 3huw s TYR 63 Ca 0.00 -1.90 -0.28 0.00 0.02 0.00 0.00 57.07 54.91 3huw s TYR 63 Cb 0.00 -0.84 -0.09 0.00 -1.52 0.00 0.00 41.96 39.51 3huw s TYR 63 CO 0.00 -0.85 2.39 0.94 0.02 0.00 0.00 175.55 178.05 3huw n GLN 64 N 3.41 1.09 -4.46 -0.62 7.27 -1.25 -3.29 117.38 119.54 3huw n GLN 64 Ca 0.21 0.12 -0.25 0.00 0.07 0.00 0.00 57.00 57.15 3huw n GLN 64 Cb 0.44 -3.09 -0.10 0.00 2.41 0.00 0.00 30.24 29.90 3huw n GLN 64 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 3huw s VAL 65 N 10.69 2.38 0.03 1.69 -7.23 0.14 -1.27 120.40 126.83 3huw s VAL 65 Ca 1.04 -2.09 0.05 0.00 -1.81 0.00 0.00 61.98 59.17 3huw s VAL 65 Cb -0.40 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 3huw s VAL 65 CO 0.33 -0.19 -0.12 -0.70 -0.31 0.00 0.00 175.10 174.11 3huw s GLU 66 N -3.66 2.31 -0.09 4.82 2.12 -0.52 -0.01 118.70 123.67 3huw s GLU 66 Ca 0.34 -0.86 -0.30 0.00 0.36 0.00 0.00 54.97 54.51 3huw s GLU 66 Cb 0.02 -2.35 0.11 0.00 0.26 0.00 0.00 34.13 32.17 3huw s GLU 66 CO 0.18 0.57 0.92 0.00 -0.54 0.00 0.00 175.26 176.38 3huw s MET 67 N -1.49 0.74 0.06 4.30 0.23 -0.85 -2.40 119.30 119.89 3huw s MET 67 Ca 0.16 -0.01 -0.31 0.00 -1.03 0.00 0.00 55.69 54.51 3huw s MET 67 Cb -0.11 0.34 -0.08 0.00 -1.53 0.00 0.00 34.83 33.46 3huw s MET 67 CO 0.07 -0.27 1.53 -1.25 -2.03 0.00 0.00 175.02 173.08 3huw s PRO 68 N -1.88 4.24 0.00 3.16 0.04 -1.26 0.92 135.00 140.22 3huw s PRO 68 Ca -0.00 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3huw s PRO 68 Cb -0.01 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 31.04 3huw s PRO 68 CO -0.01 -0.63 0.00 -0.85 0.04 0.00 0.00 177.00 175.54 3huw n GLU 69 N 5.13 0.00 0.00 4.56 0.00 -1.26 -3.23 120.64 125.84 3huw n GLU 69 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.30 3huw n GLU 69 Cb 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 31.44 31.79 3huw n GLU 69 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 3huw n ASP 70 N 0.00 0.00 -0.09 -1.84 5.75 -1.26 -0.16 116.55 118.94 3huw n ASP 70 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.69 3huw n ASP 70 Cb 0.00 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 39.94 3huw n ASP 70 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3huw n ARG 71 N -0.44 0.84 -0.32 0.11 1.74 -1.20 -4.61 116.66 112.77 3huw n ARG 71 Ca 0.00 -0.01 -0.02 0.00 -0.77 0.00 0.00 57.85 57.04 3huw n ARG 71 Cb 0.00 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 29.96 3huw n ARG 71 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3huw n VAL 72 N -2.70 -0.46 0.12 1.55 3.14 0.77 -0.07 118.33 120.68 3huw n VAL 72 Ca -0.31 1.95 0.17 0.00 -2.96 0.00 0.00 64.34 63.20 3huw n VAL 72 Cb 1.11 -2.55 0.53 0.00 -1.06 0.00 0.00 33.84 31.87 3huw n VAL 72 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 3huw h ASN 73 N 0.00 0.00 0.00 6.55 -0.73 -1.82 -1.49 115.58 118.10 3huw h ASN 73 Ca 0.26 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.31 3huw h ASN 73 Cb 0.47 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.04 3huw h ASN 73 CO -0.81 0.00 -0.91 0.47 -0.37 0.00 0.00 177.43 175.80 3huw n ASP 74 N -3.13 1.84 -0.26 1.15 10.43 0.90 -3.76 116.55 123.71 3huw n ASP 74 Ca 0.08 0.53 0.09 0.00 2.57 0.00 0.00 54.79 58.06 3huw n ASP 74 Cb 0.88 -0.91 0.19 0.00 1.84 0.00 0.00 41.12 43.12 3huw n ASP 74 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 3huw n LEU 75 N -4.52 -0.14 -0.17 0.64 0.00 -0.64 0.34 117.00 112.51 3huw n LEU 75 Ca -0.20 1.29 -0.07 0.00 0.00 0.00 0.00 56.01 57.03 3huw n LEU 75 Cb 0.48 -0.45 -0.01 0.00 0.00 0.00 0.00 43.42 43.43 3huw n LEU 75 CO 0.14 -1.29 0.61 0.00 0.00 0.00 0.00 177.39 176.86 3huw h ALA 76 N 1.51 -0.19 -0.30 1.96 0.00 -1.49 0.19 119.26 120.95 3huw h ALA 76 Ca 0.43 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.45 3huw h ALA 76 Cb 0.84 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 3huw h ALA 76 CO -0.73 -0.75 0.12 0.07 0.00 0.00 0.00 179.25 177.96 3huw h ARG 77 N -0.22 0.45 -1.08 0.00 0.11 0.56 -2.51 114.38 111.68 3huw h ARG 77 Ca 0.19 -0.08 0.30 0.00 0.10 0.00 0.00 59.98 60.49 3huw h ARG 77 Cb 0.56 -0.07 -0.11 0.00 1.11 0.00 0.00 29.97 31.46 3huw h ARG 77 CO -0.63 0.47 0.69 1.49 0.10 0.00 0.00 179.97 182.08 3huw h GLU 78 N 0.33 0.34 0.00 0.08 4.57 0.12 0.74 114.58 120.76 3huw h GLU 78 Ca 0.10 -0.02 -0.21 0.00 -1.18 0.00 0.00 59.36 58.05 3huw h GLU 78 Cb 0.19 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3huw h GLU 78 CO -0.01 0.23 -0.91 -0.07 -1.18 0.00 0.00 179.01 177.07 3huw h LEU 79 N 0.35 0.38 -0.25 1.64 3.38 -0.27 -3.25 115.31 117.29 3huw h LEU 79 Ca 0.65 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3huw h LEU 79 Cb 1.67 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.31 3huw h LEU 79 CO -0.36 1.11 0.00 0.54 0.09 0.00 0.00 178.44 179.82 3huw n ARG 80 N -3.69 0.08 0.00 1.13 1.74 0.25 -3.63 116.66 112.54 3huw n ARG 80 Ca -0.05 0.30 0.12 0.00 -0.77 0.00 0.00 57.85 57.46 3huw n ARG 80 Cb 0.82 -1.64 0.70 0.00 -1.02 0.00 0.00 32.46 31.32 3huw n ARG 80 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3huw n ILE 81 N -1.79 0.08 -3.75 0.55 5.41 -0.92 -4.72 119.36 114.22 3huw n ILE 81 Ca 0.03 0.02 -0.37 0.00 1.00 0.00 0.00 62.75 63.44 3huw n ILE 81 Cb 0.21 -0.62 -0.12 0.00 -0.71 0.00 0.00 39.64 38.39 3huw n ILE 81 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3huw s ARG 82 N -2.19 3.67 0.00 0.38 1.81 -1.24 -4.95 118.95 116.43 3huw s ARG 82 Ca 0.33 -0.47 0.00 0.00 -1.72 0.00 0.00 55.73 53.87 3huw s ARG 82 Cb 0.17 -3.34 0.00 0.00 -0.45 0.00 0.00 34.95 31.33 3huw s ARG 82 CO 0.32 -0.18 0.00 -0.25 -0.68 0.00 0.00 175.30 174.50 3huw n ASP 83 N 4.92 0.00 0.00 0.23 10.43 -1.26 0.62 116.55 131.49 3huw n ASP 83 Ca -0.16 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.20 3huw n ASP 83 Cb 0.51 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.47 3huw n ASP 83 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3huw n ASN 84 N 0.51 2.81 -4.52 -2.24 3.02 -1.26 -4.89 115.26 108.69 3huw n ASN 84 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 3huw n ASN 84 Cb 0.00 0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 39.70 3huw n ASN 84 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3huw s VAL 85 N -1.15 4.28 -0.78 2.41 1.01 0.20 -2.08 120.40 124.29 3huw s VAL 85 Ca 0.00 -1.36 0.02 0.00 0.00 0.00 0.00 61.98 60.64 3huw s VAL 85 Cb 0.00 -4.99 0.13 0.00 0.00 0.00 0.00 36.38 31.52 3huw s VAL 85 CO 0.00 -1.80 0.76 0.54 0.00 0.00 0.00 175.10 174.59 3huw n ARG 86 N 7.85 1.58 0.00 2.72 1.74 0.45 -4.80 116.66 126.19 3huw n ARG 86 Ca 0.33 -0.50 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 3huw n ARG 86 Cb 0.49 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 3huw n ARG 86 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3huw n ARG 87 N 0.12 0.00 -3.17 5.56 5.12 -1.05 -4.83 116.66 118.41 3huw n ARG 87 Ca 0.05 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.02 3huw n ARG 87 Cb 0.44 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.72 3huw n ARG 87 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3huw s VAL 88 N -2.00 -0.54 -0.43 1.55 1.01 -1.26 -3.05 120.40 115.68 3huw s VAL 88 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3huw s VAL 88 Cb 0.00 -1.00 0.14 0.00 0.00 0.00 0.00 36.38 35.52 3huw s VAL 88 CO 0.00 0.00 0.23 -0.32 0.00 0.00 0.00 175.10 175.01 3huw s MET 89 N 2.88 1.19 -0.42 2.72 0.00 -1.02 -4.97 119.30 119.68 3huw s MET 89 Ca 0.05 -1.91 -0.29 0.00 0.00 0.00 0.00 55.69 53.55 3huw s MET 89 Cb -0.11 -2.20 0.01 0.00 0.00 0.00 0.00 34.83 32.53 3huw s MET 89 CO -0.14 -1.17 1.41 0.08 0.00 0.00 0.00 175.02 175.20 3huw s VAL 90 N 0.46 3.90 0.41 10.11 1.01 -1.26 -3.27 120.40 131.76 3huw s VAL 90 Ca 0.18 0.91 0.06 0.00 0.00 0.00 0.00 61.98 63.12 3huw s VAL 90 Cb -0.24 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 31.92 3huw s VAL 90 CO 0.01 -0.78 0.58 -0.69 0.00 0.00 0.00 175.10 174.21 3huw s VAL 91 N 5.47 3.42 -0.31 2.92 1.01 -1.00 -4.94 120.40 126.97 3huw s VAL 91 Ca 0.61 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 3huw s VAL 91 Cb -0.13 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 3huw s VAL 91 CO 0.32 -0.09 0.25 -0.75 0.00 0.00 0.00 175.10 174.83 3huw s LYS 92 N -4.37 3.71 0.10 2.72 2.20 -1.26 -1.89 119.74 120.95 3huw s LYS 92 Ca 0.51 -0.45 -0.36 0.00 -0.36 0.00 0.00 55.97 55.32 3huw s LYS 92 Cb -0.10 -3.74 -0.17 0.00 -1.51 0.00 0.00 37.83 32.31 3huw s LYS 92 CO 0.34 -0.34 1.30 0.43 -0.36 0.00 0.00 175.35 176.71 3huw n SER 93 N 5.14 1.54 -0.57 1.43 7.64 -0.49 -4.90 113.62 123.41 3huw n SER 93 Ca -0.12 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.88 3huw n SER 93 Cb 0.51 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 3huw n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3huw n GLN 94 N 2.35 3.35 -3.78 1.43 6.02 -1.26 -4.93 117.38 120.55 3huw n GLN 94 Ca 0.18 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.90 3huw n GLN 94 Cb 0.20 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.29 3huw n GLN 94 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3huw s GLU 95 N 0.13 0.86 -0.36 -1.09 2.02 -1.26 -5.10 118.70 113.90 3huw s GLU 95 Ca 0.00 -0.38 -0.35 0.00 0.02 0.00 0.00 54.97 54.27 3huw s GLU 95 Cb 0.00 -1.91 -0.15 0.00 0.10 0.00 0.00 34.13 32.17 3huw s GLU 95 CO 0.00 -0.54 1.17 -2.30 0.02 0.00 0.00 175.26 173.62 3huw n PRO 96 N 5.01 0.00 -3.51 0.39 -0.02 -1.26 -4.92 135.00 130.69 3huw n PRO 96 Ca -0.09 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.97 3huw n PRO 96 Cb 0.48 -1.11 -0.08 0.00 -0.02 0.00 0.00 33.50 32.77 3huw n PRO 96 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3huw s PHE 97 N 2.15 3.37 -0.15 6.00 5.99 -1.26 -5.04 117.98 129.04 3huw s PHE 97 Ca 0.77 -1.68 -0.29 0.00 0.00 0.00 0.00 56.93 55.73 3huw s PHE 97 Cb -1.10 -3.47 -0.01 0.00 0.00 0.00 0.00 43.02 38.43 3huw s PHE 97 CO 0.60 -0.97 1.21 -0.51 -0.00 0.00 0.00 175.22 175.55 3huw s LEU 98 N 1.43 4.19 0.14 6.12 1.02 -1.26 -5.00 118.68 125.32 3huw s LEU 98 Ca 0.05 1.67 -0.14 0.00 0.02 0.00 0.00 54.13 55.73 3huw s LEU 98 Cb -0.26 -3.54 -0.07 0.00 0.02 0.00 0.00 46.19 42.34 3huw s LEU 98 CO 0.01 -0.70 0.54 0.00 0.02 0.00 0.00 176.35 176.21 3huw s ALA 99 N 3.15 3.59 -0.24 4.21 0.00 -1.26 -4.56 121.76 126.64 3huw s ALA 99 Ca 0.53 -0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.28 3huw s ALA 99 Cb -0.21 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.41 3huw s ALA 99 CO 0.15 0.46 0.24 -1.71 0.00 0.00 0.00 175.76 174.91 3huw n ASN 100 N 0.80 -5.81 0.00 0.00 4.05 -1.26 -5.33 115.26 107.70 3huw n ASN 100 Ca -0.05 0.55 0.00 0.00 0.45 0.00 0.00 54.58 55.53 3huw n ASN 100 Cb 0.52 -3.79 0.00 0.00 1.23 0.00 0.00 39.78 37.74 3huw n ASN 100 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21