#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3car n ASP 3 N 0.00 2.03 -4.73 -1.84 10.43 -1.26 -4.86 116.55 116.32 3car n ASP 3 Ca 0.00 -1.69 -0.41 0.00 2.57 0.00 0.00 54.79 55.26 3car n ASP 3 Cb 0.00 -0.03 -0.03 0.00 1.84 0.00 0.00 41.12 42.90 3car n ASP 3 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 3car s MET 4 N -1.95 4.42 0.00 -1.24 1.75 -1.26 -4.90 119.30 116.13 3car s MET 4 Ca 0.35 1.95 0.00 0.00 -1.25 0.00 0.00 55.69 56.73 3car s MET 4 Cb 0.20 -3.24 0.00 0.00 2.84 0.00 0.00 34.83 34.63 3car s MET 4 CO 0.32 -0.21 0.00 0.25 -0.65 0.00 0.00 175.02 174.72 3car n THR 5 N 2.95 0.00 -4.14 10.11 -2.24 -1.22 -3.24 114.28 116.49 3car n THR 5 Ca 0.07 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.50 3car n THR 5 Cb 0.44 0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 69.53 3car n THR 5 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3car s HIS 6 N -0.56 0.79 0.22 4.78 3.76 -1.16 -1.29 115.29 121.83 3car s HIS 6 Ca 0.00 -1.10 -0.30 0.00 -0.15 0.00 0.00 55.06 53.52 3car s HIS 6 Cb 0.00 -0.48 -0.09 0.00 1.11 0.00 0.00 32.58 33.12 3car s HIS 6 CO 0.00 -0.37 1.17 0.08 -0.85 0.00 0.00 174.74 174.77 3car s VAL 7 N -3.88 3.51 0.23 -0.90 1.01 -0.69 -4.80 120.40 114.88 3car s VAL 7 Ca 0.16 1.36 -0.32 0.00 0.00 0.00 0.00 61.98 63.18 3car s VAL 7 Cb 0.07 -3.87 -0.14 0.00 0.00 0.00 0.00 36.38 32.45 3car s VAL 7 CO -0.03 0.26 1.40 -2.65 0.00 0.00 0.00 175.10 174.08 3car n PRO 8 N 1.98 1.98 0.00 2.72 -0.02 -1.26 -4.64 135.00 135.76 3car n PRO 8 Ca 0.02 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3car n PRO 8 Cb 0.45 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3car n PRO 8 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3car n THR 9 N 1.99 0.36 0.17 3.45 -2.24 -1.26 -4.80 114.28 111.96 3car n THR 9 Ca 0.12 -0.62 0.03 0.00 -2.27 0.00 0.00 64.05 61.32 3car n THR 9 Cb 0.31 0.90 0.30 0.00 -2.10 0.00 0.00 70.33 69.73 3car n THR 9 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3car h ASP 10 N 0.00 0.00 0.27 3.42 5.19 -1.92 -1.11 116.42 122.26 3car h ASP 10 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3car h ASP 10 Cb 0.27 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.78 3car h ASP 10 CO 0.00 0.45 -0.06 0.00 -3.12 0.00 0.00 179.24 176.50 3car h ALA 11 N 1.55 1.28 0.00 3.45 0.00 -2.01 -2.51 119.26 121.02 3car h ALA 11 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3car h ALA 11 Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3car h ALA 11 CO 0.06 0.08 -0.12 0.74 0.00 0.00 0.00 179.25 180.01 3car h PHE 12 N 0.00 0.00 -0.02 0.00 -1.00 -1.57 -3.48 116.94 110.87 3car h PHE 12 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3car h PHE 12 Cb 0.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.77 3car h PHE 12 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 3car n GLY 13 N 1.20 0.81 3.62 -1.45 0.00 -0.95 -4.67 105.19 103.75 3car n GLY 13 Ca 0.04 -0.69 -0.50 0.00 0.00 0.00 0.00 46.02 44.87 3car n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3car n LYS 14 N 0.00 1.48 -3.54 1.61 4.81 -1.26 -4.94 118.16 116.32 3car n LYS 14 Ca 0.00 0.54 -0.35 0.00 -0.87 0.00 0.00 58.31 57.62 3car n LYS 14 Cb 0.00 -2.22 -0.06 0.00 0.02 0.00 0.00 35.03 32.77 3car n LYS 14 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3car s LEU 15 N 0.69 4.37 0.04 3.14 1.43 -1.26 -4.97 118.68 122.11 3car s LEU 15 Ca 0.83 0.85 -0.09 0.00 -1.03 0.00 0.00 54.13 54.69 3car s LEU 15 Cb -0.86 -2.95 -0.31 0.00 0.03 0.00 0.00 46.19 42.10 3car s LEU 15 CO 0.44 0.19 1.02 -0.33 0.23 0.00 0.00 176.35 177.90 3car h GLU 16 N 3.85 0.38 -6.55 1.70 5.08 -1.96 -3.47 114.58 113.61 3car h GLU 16 Ca -0.49 -0.64 -0.65 0.00 -1.00 0.00 0.00 59.36 56.57 3car h GLU 16 Cb 1.20 0.24 -0.16 0.00 0.50 0.00 0.00 28.75 30.53 3car h GLU 16 CO 0.65 1.29 -0.75 1.03 -1.00 0.00 0.00 179.01 180.24 3car s ARG 17 N -2.62 1.98 0.50 2.33 1.81 -1.26 -5.12 118.95 116.56 3car s ARG 17 Ca -0.07 -1.21 -0.19 0.00 -1.72 0.00 0.00 55.73 52.54 3car s ARG 17 Cb 0.06 -2.16 -0.13 0.00 -0.45 0.00 0.00 34.95 32.27 3car s ARG 17 CO 0.90 0.46 0.20 -2.30 -0.68 0.00 0.00 175.30 173.88 3car n PRO 18 N 0.38 0.23 -1.80 3.54 -0.02 -1.26 -4.91 135.00 131.16 3car n PRO 18 Ca -0.13 0.09 -0.38 0.00 -2.02 0.00 0.00 63.50 61.06 3car n PRO 18 Cb 0.54 -1.28 0.04 0.00 -0.02 0.00 0.00 33.50 32.78 3car n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3car s ALA 19 N -1.79 2.77 -0.02 3.55 0.00 -1.26 -4.65 121.76 120.35 3car s ALA 19 Ca 0.62 1.30 -0.30 0.00 0.00 0.00 0.00 51.96 53.57 3car s ALA 19 Cb -0.52 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.01 3car s ALA 19 CO 0.61 -1.37 1.18 0.00 0.00 0.00 0.00 175.76 176.18 3car s ALA 20 N -1.33 3.43 0.21 0.00 0.00 -1.26 -4.08 121.76 118.73 3car s ALA 20 Ca 0.73 0.68 -0.31 0.00 0.00 0.00 0.00 51.96 53.05 3car s ALA 20 Cb -0.39 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.14 3car s ALA 20 CO 0.46 -0.62 1.57 0.08 0.00 0.00 0.00 175.76 177.25 3car s VAL 21 N 1.77 2.46 -0.35 0.00 1.01 0.10 -1.70 120.40 123.68 3car s VAL 21 Ca 0.56 0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.87 3car s VAL 21 Cb -0.26 -3.22 0.19 0.00 0.00 0.00 0.00 36.38 33.09 3car s VAL 21 CO 0.24 0.04 0.87 0.12 0.00 0.00 0.00 175.10 176.37 3car s PHE 22 N 0.72 -0.96 -1.04 5.22 5.36 -0.41 -4.78 117.98 122.09 3car s PHE 22 Ca 0.67 0.19 -0.18 0.00 -0.96 0.00 0.00 56.93 56.65 3car s PHE 22 Cb -0.45 0.18 0.12 0.00 -0.34 0.00 0.00 43.02 42.53 3car s PHE 22 CO 0.36 -0.64 1.30 1.21 -1.46 0.00 0.00 175.22 175.99 3car s ASN 23 N 2.02 6.73 0.20 6.13 3.84 -1.25 -2.98 114.94 129.62 3car s ASN 23 Ca 0.16 -2.20 -0.20 0.00 0.21 0.00 0.00 52.86 50.83 3car s ASN 23 Cb -0.00 -2.44 0.15 0.00 -0.55 0.00 0.00 41.25 38.40 3car s ASN 23 CO -0.13 -1.07 1.57 -0.74 -2.79 0.00 0.00 177.10 173.94 3car h HIS 24 N 8.51 -1.04 -0.19 0.43 -0.00 -1.90 0.50 115.15 121.46 3car h HIS 24 Ca 0.22 0.09 -0.18 0.00 -0.00 0.00 0.00 60.37 60.50 3car h HIS 24 Cb 0.98 0.56 0.00 0.00 -0.00 0.00 0.00 27.41 28.95 3car h HIS 24 CO 1.19 -0.39 -0.57 -0.44 -0.00 0.00 0.00 177.93 177.71 3car h ASP 25 N -0.11 0.83 -0.42 3.26 3.32 -1.89 -1.54 116.42 119.88 3car h ASP 25 Ca 0.26 -0.59 -0.13 0.00 0.02 0.00 0.00 57.03 56.60 3car h ASP 25 Cb 0.57 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3car h ASP 25 CO -0.79 1.27 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.44 3car h GLU 26 N 0.44 0.90 -0.36 3.56 4.39 -1.73 -2.08 114.58 119.70 3car h GLU 26 Ca -0.02 -0.41 0.08 0.00 0.34 0.00 0.00 59.36 59.35 3car h GLU 26 Cb 1.19 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.74 3car h GLU 26 CO 0.12 1.06 -0.26 1.25 -1.16 0.00 0.00 179.01 180.02 3car h HIS 27 N 0.72 -0.70 -0.09 4.33 -0.00 0.14 -0.06 115.15 119.49 3car h HIS 27 Ca 0.09 0.05 -0.14 0.00 -0.00 0.00 0.00 60.37 60.36 3car h HIS 27 Cb 0.81 0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 28.57 3car h HIS 27 CO 0.06 -0.33 -0.56 -0.91 -0.00 0.00 0.00 177.93 176.18 3car h ASN 28 N -0.21 0.32 -0.21 3.26 2.35 -1.19 -0.81 115.58 119.08 3car h ASN 28 Ca 0.17 -0.18 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 3car h ASN 28 Cb 0.49 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3car h ASN 28 CO -0.48 0.82 -0.41 -0.08 -1.65 0.00 0.00 177.43 175.63 3car h GLU 29 N 0.22 0.66 -0.18 0.81 4.81 -1.01 -1.81 114.58 118.07 3car h GLU 29 Ca 0.00 -0.42 -0.09 0.00 -0.13 0.00 0.00 59.36 58.72 3car h GLU 29 Cb 1.06 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3car h GLU 29 CO 0.09 1.04 -0.27 0.87 -0.73 0.00 0.00 179.01 180.01 3car h LYS 30 N 0.35 0.33 0.00 1.92 6.56 -0.70 -2.29 116.57 122.75 3car h LYS 30 Ca 0.01 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.48 3car h LYS 30 Cb 1.01 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.65 3car h LYS 30 CO 0.09 0.58 0.00 0.00 -2.06 0.00 0.00 179.45 178.06 3car h ALA 31 N 1.43 1.00 0.00 3.86 0.00 -1.10 -3.47 119.26 120.97 3car h ALA 31 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3car h ALA 31 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3car h ALA 31 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 3car n GLY 32 N 1.04 0.52 3.67 0.00 0.00 -0.86 -4.98 105.19 104.57 3car n GLY 32 Ca 0.04 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 3car n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3car s ILE 33 N -2.00 4.78 -0.07 -0.61 1.01 -0.74 -4.89 121.20 118.68 3car s ILE 33 Ca 0.00 1.87 0.12 0.00 0.00 0.00 0.00 60.65 62.65 3car s ILE 33 Cb 0.00 -4.24 -0.18 0.00 0.01 0.00 0.00 42.46 38.04 3car s ILE 33 CO 0.00 -0.07 0.29 -0.62 0.00 0.00 0.00 174.94 174.55 3car n GLU 34 N 5.66 0.66 -3.95 2.79 -0.58 -1.26 -4.77 120.64 119.19 3car n GLU 34 Ca 0.08 -0.10 -0.36 0.00 -0.42 0.00 0.00 57.16 56.36 3car n GLU 34 Cb 0.48 -1.27 -0.07 0.00 -0.57 0.00 0.00 31.44 30.01 3car n GLU 34 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3car s SER 35 N -3.27 6.08 0.19 1.62 0.01 -1.26 -4.96 113.70 112.11 3car s SER 35 Ca -0.04 0.33 0.07 0.00 1.31 0.00 0.00 55.95 57.62 3car s SER 35 Cb 0.08 -1.96 0.07 0.00 0.21 0.00 0.00 66.02 64.41 3car s SER 35 CO 0.51 0.34 1.44 0.00 0.41 0.00 0.00 173.24 175.93 3car n ASN 37 N -3.63 0.00 -0.16 0.00 0.23 -1.26 -1.20 115.26 109.24 3car n ASN 37 Ca -0.02 -1.70 0.10 0.00 -0.53 0.00 0.00 54.58 52.42 3car n ASN 37 Cb 0.77 0.00 0.41 0.00 -2.08 0.00 0.00 39.78 38.88 3car n ASN 37 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3car h ALA 38 N 2.94 1.84 0.00 -2.53 0.00 -1.80 -3.35 119.26 116.36 3car h ALA 38 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3car h ALA 38 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3car h ALA 38 CO 0.00 0.01 -1.34 0.00 0.00 0.00 0.00 179.25 177.92 3car n HIS 40 N -2.94 4.10 -2.83 0.00 8.25 -0.34 -4.94 115.22 116.53 3car n HIS 40 Ca -0.11 -3.01 -0.22 0.00 -0.26 0.00 0.00 57.72 54.12 3car n HIS 40 Cb 0.60 -2.30 0.02 0.00 1.12 0.00 0.00 29.99 29.43 3car n HIS 40 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 3car s HIS 41 N 2.20 3.02 -0.26 4.41 -3.43 -1.25 -1.10 115.29 118.88 3car s HIS 41 Ca 0.45 0.06 -0.00 0.00 -0.80 0.00 0.00 55.06 54.77 3car s HIS 41 Cb 0.05 -2.53 0.08 0.00 -1.43 0.00 0.00 32.58 28.75 3car s HIS 41 CO 0.00 -0.61 0.03 0.08 -2.00 0.00 0.00 174.74 172.25 3car s VAL 42 N -2.64 1.12 -0.30 -5.38 1.01 -1.26 -4.10 120.40 108.86 3car s VAL 42 Ca 0.53 -1.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 3car s VAL 42 Cb -0.10 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 3car s VAL 42 CO 0.38 -0.37 0.11 0.26 0.00 0.00 0.00 175.10 175.47 3car s TRP 43 N 1.54 3.15 -0.10 5.22 0.52 -1.26 -0.53 118.94 127.48 3car s TRP 43 Ca 0.02 -0.77 -0.01 0.00 0.02 0.00 0.00 56.10 55.36 3car s TRP 43 Cb -0.18 -2.29 0.03 0.00 -1.15 0.00 0.00 33.47 29.88 3car s TRP 43 CO -0.13 -0.51 -0.06 0.08 0.02 0.00 0.00 176.95 176.35 3car s VAL 44 N 1.55 0.88 -1.47 4.03 1.01 0.29 -4.85 120.40 121.84 3car s VAL 44 Ca 0.04 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 3car s VAL 44 Cb -0.17 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.30 3car s VAL 44 CO 0.04 0.34 0.86 0.59 0.00 0.00 0.00 175.10 176.93 3car n ASN 45 N 4.99 -6.01 0.00 3.32 3.02 -1.26 -1.14 115.26 118.17 3car n ASN 45 Ca -0.11 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 3car n ASN 45 Cb 0.50 -4.81 0.00 0.00 -0.61 0.00 0.00 39.78 34.86 3car n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3car n GLY 46 N -1.71 0.74 3.12 7.41 0.00 -1.26 -4.99 105.19 108.50 3car n GLY 46 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 3car n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3car s VAL 47 N -2.42 1.36 -0.37 1.61 1.01 -0.29 -5.11 120.40 116.19 3car s VAL 47 Ca 0.00 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 3car s VAL 47 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.21 3car s VAL 47 CO 0.00 0.39 0.61 -0.22 0.00 0.00 0.00 175.10 175.88 3car s LEU 48 N 0.08 4.33 0.02 3.92 2.96 -1.26 -0.55 118.68 128.17 3car s LEU 48 Ca -0.04 0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.58 3car s LEU 48 Cb -0.11 -2.72 -0.08 0.00 0.50 0.00 0.00 46.19 43.78 3car s LEU 48 CO 0.02 -0.60 1.74 0.00 -1.32 0.00 0.00 176.35 176.19 3car s ALA 49 N 2.65 3.64 -0.53 5.97 0.00 0.31 -4.89 121.76 128.91 3car s ALA 49 Ca 0.23 1.15 0.24 0.00 0.00 0.00 0.00 51.96 53.58 3car s ALA 49 Cb -0.15 -3.75 0.44 0.00 0.00 0.00 0.00 23.12 19.66 3car s ALA 49 CO 0.15 -1.33 1.56 1.05 0.00 0.00 0.00 175.76 177.19 3car h GLU 50 N 9.31 0.00 -0.06 0.00 4.11 -1.95 -3.37 114.58 122.62 3car h GLU 50 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 3car h GLU 50 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3car h GLU 50 CO 0.94 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.77 3car n ASP 51 N -2.67 1.86 -4.67 3.06 8.00 -1.26 -5.01 116.55 115.86 3car n ASP 51 Ca 0.04 -1.65 -0.27 0.00 0.71 0.00 0.00 54.79 53.63 3car n ASP 51 Cb 0.49 -0.04 -0.10 0.00 -0.02 0.00 0.00 41.12 41.46 3car n ASP 51 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3car s GLU 52 N -0.70 2.07 0.19 -1.24 2.02 -1.26 -5.16 118.70 114.62 3car s GLU 52 Ca 0.06 -2.01 -0.14 0.00 0.02 0.00 0.00 54.97 52.89 3car s GLU 52 Cb 0.03 -1.77 0.01 0.00 0.10 0.00 0.00 34.13 32.50 3car s GLU 52 CO 0.04 -0.08 0.44 0.16 0.02 0.00 0.00 175.26 175.84 3car s ASP 53 N -3.79 -0.13 -0.36 -0.19 1.47 -1.26 -4.48 116.67 107.94 3car s ASP 53 Ca 0.37 -0.69 0.07 0.00 1.18 0.00 0.00 52.55 53.48 3car s ASP 53 Cb 0.08 0.53 0.54 0.00 -0.34 0.00 0.00 42.92 43.73 3car s ASP 53 CO 0.20 -1.02 1.59 -1.54 0.68 0.00 0.00 175.17 175.08 3car n SER 54 N -0.31 3.29 -4.67 2.11 3.41 -0.25 -4.86 113.62 112.34 3car n SER 54 Ca -0.08 -3.76 -0.46 0.00 -0.26 0.00 0.00 58.87 54.32 3car n SER 54 Cb 0.62 -0.69 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 3car n SER 54 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3car n VAL 55 N -1.09 0.02 0.00 -3.33 0.31 -1.26 -1.39 118.33 111.59 3car n VAL 55 Ca 0.42 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.75 3car n VAL 55 Cb 1.15 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 3car n VAL 55 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3car n GLY 56 N 3.47 0.43 3.28 2.92 0.00 -1.26 -5.04 105.19 108.98 3car n GLY 56 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3car n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3car s THR 57 N -2.00 2.95 0.66 2.61 2.01 -0.48 -5.10 115.64 116.30 3car s THR 57 Ca 0.00 -0.65 -0.17 0.00 0.31 0.00 0.00 61.69 61.18 3car s THR 57 Cb 0.00 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 3car s THR 57 CO 0.00 0.48 1.01 -2.65 -0.69 0.00 0.00 174.62 172.77 3car n PRO 58 N 4.44 0.74 -0.27 4.92 -0.02 -1.26 -4.88 135.00 138.67 3car n PRO 58 Ca -0.19 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3car n PRO 58 Cb 0.51 -2.24 0.21 0.00 -0.02 0.00 0.00 33.50 31.95 3car n PRO 58 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3car n SER 60 N -4.41 0.31 0.08 0.00 3.41 -1.26 -0.87 113.62 110.87 3car n SER 60 Ca 0.10 0.57 -0.03 0.00 -0.26 0.00 0.00 58.87 59.25 3car n SER 60 Cb 0.04 -0.64 0.20 0.00 -0.26 0.00 0.00 64.21 63.55 3car n SER 60 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3car h ASP 61 N 0.00 0.28 0.00 4.04 5.19 -1.45 -3.36 116.42 121.13 3car h ASP 61 Ca 0.00 -0.12 -0.24 0.00 -0.62 0.00 0.00 57.03 56.04 3car h ASP 61 Cb 0.31 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 39.70 3car h ASP 61 CO 0.00 0.68 -2.04 0.00 -3.12 0.00 0.00 179.24 174.77 3car s HIS 63 N -2.51 3.28 1.39 0.00 3.76 -0.05 -5.03 115.29 116.14 3car s HIS 63 Ca -0.08 -1.33 -0.22 0.00 -0.15 0.00 0.00 55.06 53.29 3car s HIS 63 Cb 0.06 -3.56 0.36 0.00 1.11 0.00 0.00 32.58 30.54 3car s HIS 63 CO 0.66 -0.96 0.94 0.00 -0.85 0.00 0.00 174.74 174.53 3car s ALA 64 N 1.56 -0.72 0.29 -1.40 0.00 -1.26 -4.38 121.76 115.84 3car s ALA 64 Ca 0.04 -0.73 0.12 0.00 0.00 0.00 0.00 51.96 51.39 3car s ALA 64 Cb -0.28 -2.98 0.52 0.00 0.00 0.00 0.00 23.12 20.38 3car s ALA 64 CO 0.03 -4.51 1.69 -0.07 0.00 0.00 0.00 175.76 172.90 3car h LEU 65 N -3.33 0.00 -9.59 0.00 4.07 -1.93 0.15 115.31 104.69 3car h LEU 65 Ca -0.46 0.00 -0.66 0.00 0.08 0.00 0.00 57.88 56.84 3car h LEU 65 Cb 1.34 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.99 3car h LEU 65 CO 0.31 0.51 -0.53 -1.61 -1.08 0.00 0.00 178.44 176.04 3car s GLU 66 N -3.78 3.26 0.26 1.13 0.41 -1.26 -3.69 118.70 115.02 3car s GLU 66 Ca -0.02 -0.31 -0.30 0.00 -0.41 0.00 0.00 54.97 53.94 3car s GLU 66 Cb 0.13 -3.01 -0.14 0.00 -1.78 0.00 0.00 34.13 29.33 3car s GLU 66 CO 0.74 0.71 1.11 0.94 -0.49 0.00 0.00 175.26 178.27 3car n GLN 67 N 1.59 1.45 -3.80 1.61 7.27 -1.26 -4.17 117.38 120.06 3car n GLN 67 Ca -0.16 0.51 -0.30 0.00 0.07 0.00 0.00 57.00 57.12 3car n GLN 67 Cb 0.54 -1.96 -0.14 0.00 2.41 0.00 0.00 30.24 31.09 3car n GLN 67 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3car s ASP 68 N -0.31 3.98 0.90 1.69 2.15 -0.09 -4.85 116.67 120.14 3car s ASP 68 Ca 0.63 -2.55 0.00 0.00 0.43 0.00 0.00 52.55 51.06 3car s ASP 68 Cb -0.72 -1.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.68 3car s ASP 68 CO 0.57 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.89 3car n GLY 69 N 3.67 0.94 1.26 2.66 0.00 -1.26 -1.72 105.19 110.75 3car n GLY 69 Ca 0.06 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.50 3car n GLY 69 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3car n ASP 70 N 6.92 3.76 -4.63 1.61 5.75 -1.26 -4.80 116.55 123.90 3car n ASP 70 Ca 0.00 -1.99 -0.43 0.00 -0.01 0.00 0.00 54.79 52.36 3car n ASP 70 Cb 0.00 -0.40 -0.02 0.00 -1.03 0.00 0.00 41.12 39.67 3car n ASP 70 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3car s THR 71 N -1.16 4.19 0.49 2.12 2.01 -0.70 -5.02 115.64 117.57 3car s THR 71 Ca 0.45 1.36 -0.23 0.00 0.31 0.00 0.00 61.69 63.57 3car s THR 71 Cb 0.24 -4.18 -0.07 0.00 0.01 0.00 0.00 72.50 68.51 3car s THR 71 CO 0.32 -0.45 1.30 -2.16 -0.69 0.00 0.00 174.62 172.94 3car s PRO 72 N 4.06 3.53 1.18 4.92 0.04 -1.26 -0.91 135.00 146.56 3car s PRO 72 Ca 0.55 2.10 -0.15 0.00 0.04 0.00 0.00 61.00 63.55 3car s PRO 72 Cb -0.16 -2.43 0.25 0.00 0.04 0.00 0.00 34.50 32.19 3car s PRO 72 CO 0.22 -0.84 0.72 0.41 0.04 0.00 0.00 177.00 177.55 3car n GLY 73 N 0.62 -2.26 0.28 0.56 0.00 -1.26 -4.48 105.19 98.64 3car n GLY 73 Ca 0.08 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 3car n GLY 73 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3car h LEU 74 N -2.59 0.89 -0.28 0.99 5.85 -0.76 0.14 115.31 119.55 3car h LEU 74 Ca -0.61 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 57.79 3car h LEU 74 Cb 1.35 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3car h LEU 74 CO 0.47 1.06 0.16 -0.61 -0.34 0.00 0.00 178.44 179.17 3car h GLN 75 N 0.77 0.38 -0.41 1.25 4.15 -1.86 -1.80 115.11 117.60 3car h GLN 75 Ca 0.11 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.39 3car h GLN 75 Cb 0.72 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.32 3car h GLN 75 CO 0.06 0.32 -0.16 -0.44 -1.93 0.00 0.00 178.83 176.68 3car h ASP 76 N 0.35 0.75 -0.06 -0.69 3.32 -1.83 -0.37 116.42 117.88 3car h ASP 76 Ca 0.10 -0.24 0.04 0.00 0.02 0.00 0.00 57.03 56.94 3car h ASP 76 Cb 0.04 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 3car h ASP 76 CO -0.02 0.92 -0.20 0.00 -1.72 0.00 0.00 179.24 178.22 3car h ALA 77 N 1.15 -0.20 -0.33 3.45 0.00 -0.36 0.45 119.26 123.43 3car h ALA 77 Ca 0.11 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3car h ALA 77 Cb 0.64 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3car h ALA 77 CO 0.04 -0.67 0.19 1.88 0.00 0.00 0.00 179.25 180.69 3car h TYR 78 N -0.28 0.44 -0.89 0.00 -1.99 -1.11 -0.64 116.97 112.50 3car h TYR 78 Ca 0.08 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 3car h TYR 78 Cb 0.39 -0.14 -0.04 0.00 2.00 0.00 0.00 36.73 38.94 3car h TYR 78 CO -0.27 0.35 0.55 0.45 -0.00 0.00 0.00 178.16 179.23 3car h HIS 79 N 0.41 1.15 -0.14 4.88 3.86 -0.78 0.78 115.15 125.32 3car h HIS 79 Ca 0.12 0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.20 3car h HIS 79 Cb 0.04 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 3car h HIS 79 CO -0.03 0.75 -0.47 1.96 0.86 0.00 0.00 177.93 181.00 3car h GLN 80 N 1.22 0.35 0.31 2.45 4.20 0.05 -0.79 115.11 122.91 3car h GLN 80 Ca 0.32 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 3car h GLN 80 Cb -0.08 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3car h GLN 80 CO -0.06 0.75 -0.15 0.37 -0.67 0.00 0.00 178.83 179.07 3car h GLN 81 N 0.29 -0.41 0.03 1.46 5.75 -0.81 -2.78 115.11 118.63 3car h GLN 81 Ca 0.02 0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3car h GLN 81 Cb 0.93 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.58 3car h GLN 81 CO 0.08 -0.27 -0.01 0.00 -2.65 0.00 0.00 178.83 175.97 3car h TRP 83 N -0.59 0.00 -0.21 0.00 7.01 -1.27 -2.40 115.95 118.49 3car h TRP 83 Ca -0.00 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.03 3car h TRP 83 Cb 0.55 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.58 3car h TRP 83 CO 0.11 0.81 -0.01 0.78 -2.79 0.00 0.00 178.44 177.34 3car h GLY 84 N 2.97 0.19 1.27 2.65 0.00 -1.31 -0.28 103.07 108.56 3car h GLY 84 Ca -0.01 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 3car h GLY 84 CO 0.10 -0.05 0.13 0.00 0.00 0.00 0.00 176.54 176.73 3car h HIS 86 N 0.87 0.90 -0.26 0.00 -0.00 -0.89 0.46 115.15 116.23 3car h HIS 86 Ca 0.19 -0.14 -0.15 0.00 -0.00 0.00 0.00 60.37 60.27 3car h HIS 86 Cb 0.33 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.49 3car h HIS 86 CO 0.02 0.83 -0.41 1.49 -0.00 0.00 0.00 177.93 179.86 3car h GLU 87 N 0.78 0.73 -0.37 2.45 4.81 -0.94 0.14 114.58 122.18 3car h GLU 87 Ca 0.15 -0.45 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 3car h GLU 87 Cb 0.49 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 3car h GLU 87 CO 0.02 1.07 0.12 -0.22 -0.73 0.00 0.00 179.01 179.28 3car h LYS 88 N 0.46 0.53 -0.00 1.92 3.64 -0.64 -2.59 116.57 119.88 3car h LYS 88 Ca 0.02 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3car h LYS 88 Cb 1.01 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3car h LYS 88 CO 0.09 0.46 -0.73 1.04 -2.27 0.00 0.00 179.45 178.04 3car n GLN 89 N -4.37 0.10 -2.67 1.90 6.02 0.11 -4.93 117.38 113.54 3car n GLN 89 Ca 0.02 -0.08 -0.16 0.00 -0.01 0.00 0.00 57.00 56.77 3car n GLN 89 Cb 0.16 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 29.94 3car n GLN 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3car n ALA 90 N -1.38 -0.65 -2.22 -1.58 0.00 0.38 -4.99 120.51 110.08 3car n ALA 90 Ca 0.05 0.19 -0.07 0.00 0.00 0.00 0.00 53.44 53.61 3car n ALA 90 Cb 0.34 -2.67 -0.10 0.00 0.00 0.00 0.00 19.45 17.01 3car n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3car s LYS 91 N -5.22 0.57 0.00 0.00 1.02 -0.61 -5.04 119.74 110.46 3car s LYS 91 Ca 0.16 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 55.02 3car s LYS 91 Cb -0.07 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 3car s LYS 91 CO 0.20 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.94 3car n GLY 92 N 0.32 0.35 3.76 -3.33 0.00 -1.26 -4.27 105.19 100.77 3car n GLY 92 Ca -0.15 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.70 3car n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3car s PRO 93 N -2.48 3.58 0.00 1.61 0.04 -1.26 -4.92 135.00 131.56 3car s PRO 93 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 3car s PRO 93 Cb 0.00 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.10 3car s PRO 93 CO 0.00 -0.78 0.41 1.33 0.04 0.00 0.00 177.00 177.99 3car n VAL 94 N -0.54 0.05 -3.99 -0.36 0.24 -1.26 -4.90 118.33 107.58 3car n VAL 94 Ca 0.07 -0.06 -0.27 0.00 -2.04 0.00 0.00 64.34 62.05 3car n VAL 94 Cb 0.46 1.21 -0.04 0.00 -1.47 0.00 0.00 33.84 34.00 3car n VAL 94 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3car s MET 95 N -0.05 3.26 0.29 7.34 -1.94 -1.26 -5.00 119.30 121.94 3car s MET 95 Ca 0.00 -0.67 0.00 0.00 -1.71 0.00 0.00 55.69 53.31 3car s MET 95 Cb 0.00 -2.87 0.51 0.00 2.01 0.00 0.00 34.83 34.48 3car s MET 95 CO 0.00 0.52 1.89 0.00 -0.01 0.00 0.00 175.02 177.42 3car n GLY 97 N -1.38 -0.51 0.04 0.00 0.00 -1.26 -1.04 105.19 101.04 3car n GLY 97 Ca 0.15 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.91 3car n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3car n GLU 98 N -0.48 0.21 -0.12 1.61 1.02 0.09 -4.06 120.64 118.92 3car n GLU 98 Ca 0.15 0.05 -0.20 0.00 -0.02 0.00 0.00 57.16 57.14 3car n GLU 98 Cb 0.32 -1.62 -0.10 0.00 -0.02 0.00 0.00 31.44 30.02 3car n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3car n HIS 100 N -3.55 2.99 -3.01 0.00 8.25 -0.20 -0.72 115.22 118.96 3car n HIS 100 Ca -0.43 -2.80 -0.40 0.00 -0.26 0.00 0.00 57.72 53.83 3car n HIS 100 Cb 0.88 -1.97 -0.05 0.00 1.12 0.00 0.00 29.99 29.98 3car n HIS 100 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3car s VAL 101 N 0.48 5.02 -0.53 1.59 1.01 -1.26 -4.58 120.40 122.12 3car s VAL 101 Ca 0.40 1.48 -0.22 0.00 0.00 0.00 0.00 61.98 63.64 3car s VAL 101 Cb 0.10 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.46 3car s VAL 101 CO 0.00 0.21 0.84 -0.54 0.00 0.00 0.00 175.10 175.61 3car s LYS 102 N 1.05 3.27 0.00 2.72 -0.14 -1.26 -4.78 119.74 120.59 3car s LYS 102 Ca 0.38 -0.46 0.00 0.00 -1.36 0.00 0.00 55.97 54.53 3car s LYS 102 Cb -0.18 -4.06 0.00 0.00 -1.68 0.00 0.00 37.83 31.91 3car s LYS 102 CO 0.17 -1.39 0.00 0.27 -0.76 0.00 0.00 175.35 173.64