#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2asy n ALA 2 N 0.00 -1.63 -2.21 -5.12 0.00 -1.24 -4.93 120.51 105.38 2asy n ALA 2 Ca 0.00 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 2asy n ALA 2 Cb 0.00 -3.58 -0.04 0.00 0.00 0.00 0.00 19.45 15.83 2asy n ALA 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2asy s THR 3 N -3.43 4.20 -0.27 0.00 2.01 -0.20 -4.82 115.64 113.14 2asy s THR 3 Ca 0.34 1.82 -0.16 0.00 0.31 0.00 0.00 61.69 63.99 2asy s THR 3 Cb -0.16 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 2asy s THR 3 CO 0.79 0.27 0.44 -0.22 -0.69 0.00 0.00 174.62 175.22 2asy s LEU 4 N -0.02 4.06 0.09 4.42 2.96 -1.26 0.52 118.68 129.45 2asy s LEU 4 Ca 0.49 0.38 0.07 0.00 -0.22 0.00 0.00 54.13 54.86 2asy s LEU 4 Cb -0.26 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.85 2asy s LEU 4 CO 0.32 -0.24 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.69 2asy s LEU 5 N 2.19 2.28 -0.00 -0.68 0.20 0.96 -4.16 118.68 119.48 2asy s LEU 5 Ca 0.18 -0.66 -0.24 0.00 0.69 0.00 0.00 54.13 54.10 2asy s LEU 5 Cb -0.16 -0.81 -0.05 0.00 -0.43 0.00 0.00 46.19 44.75 2asy s LEU 5 CO 0.10 0.04 0.74 -1.10 -0.29 0.00 0.00 176.35 175.83 2asy s GLN 6 N -1.81 4.46 -0.29 1.98 -0.21 -0.07 -0.42 119.66 123.29 2asy s GLN 6 Ca 0.05 0.98 0.02 0.00 0.02 0.00 0.00 55.36 56.43 2asy s GLN 6 Cb -0.10 -3.40 0.16 0.00 1.00 0.00 0.00 33.01 30.67 2asy s GLN 6 CO 0.04 0.19 0.41 -1.17 -2.12 0.00 0.00 175.29 172.63 2asy s LEU 7 N 0.31 -0.76 0.09 2.90 1.98 0.10 -2.97 118.68 120.32 2asy s LEU 7 Ca 0.38 -0.34 -0.17 0.00 -2.89 0.00 0.00 54.13 51.11 2asy s LEU 7 Cb -0.19 1.10 0.04 0.00 0.66 0.00 0.00 46.19 47.79 2asy s LEU 7 CO 0.21 -0.35 0.41 -1.38 -1.89 0.00 0.00 176.35 173.35 2asy s HIS 8 N 2.54 -0.24 0.26 5.38 -3.43 -0.68 -0.83 115.29 118.29 2asy s HIS 8 Ca 0.10 0.06 -0.08 0.00 -0.80 0.00 0.00 55.06 54.34 2asy s HIS 8 Cb -0.13 0.25 -0.01 0.00 -1.43 0.00 0.00 32.58 31.26 2asy s HIS 8 CO -0.29 -0.64 0.40 -0.59 -2.00 0.00 0.00 174.74 171.62 2asy s PHE 9 N -3.17 0.69 0.56 0.38 -0.71 -0.84 0.24 117.98 115.13 2asy s PHE 9 Ca -0.01 -0.99 -0.18 0.00 -1.04 0.00 0.00 56.93 54.71 2asy s PHE 9 Cb 0.01 -0.03 -0.05 0.00 -1.21 0.00 0.00 43.02 41.73 2asy s PHE 9 CO -0.07 -0.95 1.09 0.00 -1.34 0.00 0.00 175.22 173.95 2asy s ALA 10 N -3.84 2.70 0.77 1.99 0.00 -1.26 -0.08 121.76 122.04 2asy s ALA 10 Ca 0.28 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 2asy s ALA 10 Cb 0.01 -3.30 0.06 0.00 0.00 0.00 0.00 23.12 19.88 2asy s ALA 10 CO 0.12 -0.77 1.10 0.12 0.00 0.00 0.00 175.76 176.33 2asy s PHE 11 N -2.06 2.97 -0.51 0.00 5.36 0.10 -3.92 117.98 119.93 2asy s PHE 11 Ca 0.69 1.10 0.00 0.00 -0.96 0.00 0.00 56.93 57.76 2asy s PHE 11 Cb -0.20 -3.12 0.00 0.00 -0.34 0.00 0.00 43.02 39.36 2asy s PHE 11 CO 0.30 -1.62 0.00 -1.71 -1.46 0.00 0.00 175.22 170.73 2asy n ASN 12 N -3.32 -2.87 -0.04 6.13 5.15 -1.26 -4.84 115.26 114.20 2asy n ASN 12 Ca 0.07 0.06 -0.03 0.00 -0.60 0.00 0.00 54.58 54.07 2asy n ASN 12 Cb 0.57 -1.64 -0.01 0.00 -0.53 0.00 0.00 39.78 38.17 2asy n ASN 12 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2asy n GLY 13 N -1.58 -0.75 2.50 8.20 0.00 -1.25 -4.53 105.19 107.79 2asy n GLY 13 Ca -0.06 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 2asy n GLY 13 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2asy n PRO 14 N -3.68 0.07 0.10 1.61 -0.04 -1.26 -3.93 135.00 127.88 2asy n PRO 14 Ca -0.05 -1.72 -0.05 0.00 -0.04 0.00 0.00 63.50 61.65 2asy n PRO 14 Cb 0.18 -0.47 0.07 0.00 -0.04 0.00 0.00 33.50 33.24 2asy n PRO 14 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2asy h PHE 15 N -0.61 0.11 0.00 0.54 0.04 -2.00 -3.48 116.94 111.55 2asy h PHE 15 Ca -0.22 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.50 2asy h PHE 15 Cb 0.79 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.92 2asy h PHE 15 CO 0.00 0.80 0.00 0.41 -0.60 0.00 0.00 178.31 178.92 2asy n GLY 16 N 0.61 3.70 0.33 -1.45 0.00 -1.26 -4.71 105.19 102.41 2asy n GLY 16 Ca -0.02 -0.56 0.18 0.00 0.00 0.00 0.00 46.02 45.63 2asy n GLY 16 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2asy h ASP 17 N 0.72 0.00 -0.33 1.61 3.32 -1.97 0.15 116.42 119.92 2asy h ASP 17 Ca 0.00 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.15 2asy h ASP 17 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2asy h ASP 17 CO 0.00 0.00 0.37 0.00 -1.72 0.00 0.00 179.24 177.89 2asy h ALA 18 N 1.88 2.01 0.00 3.45 0.00 -1.93 0.33 119.26 125.00 2asy h ALA 18 Ca 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2asy h ALA 18 Cb 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2asy h ALA 18 CO -0.00 -0.54 -1.06 -1.33 0.00 0.00 0.00 179.25 176.32 2asy n MET 19 N -3.72 0.52 -0.16 0.00 2.81 0.50 -1.59 117.12 115.48 2asy n MET 19 Ca 0.05 0.27 0.16 0.00 -1.81 0.00 0.00 57.70 56.37 2asy n MET 19 Cb 0.53 -1.48 0.51 0.00 -0.71 0.00 0.00 33.22 32.07 2asy n MET 19 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2asy h ALA 20 N -0.99 2.13 0.00 3.04 0.00 -1.28 -3.26 119.26 118.90 2asy h ALA 20 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2asy h ALA 20 Cb 0.98 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2asy h ALA 20 CO -0.04 -0.33 -0.20 -1.91 0.00 0.00 0.00 179.25 176.77 2asy n GLU 21 N -4.47 0.00 0.00 0.00 2.13 0.49 -4.85 120.64 113.93 2asy n GLU 21 Ca 0.14 0.00 0.08 0.00 0.66 0.00 0.00 57.16 58.04 2asy n GLU 21 Cb 0.53 -0.14 0.46 0.00 0.27 0.00 0.00 31.44 32.56 2asy n GLU 21 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2asy n GLN 22 N -2.91 0.43 0.09 5.31 1.13 0.86 -1.80 117.38 120.50 2asy n GLN 22 Ca 0.00 0.04 -0.23 0.00 -1.94 0.00 0.00 57.00 54.86 2asy n GLN 22 Cb 0.10 -1.50 -0.15 0.00 0.11 0.00 0.00 30.24 28.80 2asy n GLN 22 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2asy h LEU 23 N 0.00 0.67 0.26 1.08 5.85 -1.34 -3.10 115.31 118.74 2asy h LEU 23 Ca 0.00 -0.93 0.01 0.00 0.84 0.00 0.00 57.88 57.79 2asy h LEU 23 Cb 0.04 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2asy h LEU 23 CO 0.00 1.78 -0.43 0.50 -0.34 0.00 0.00 178.44 179.94 2asy h LYS 24 N 0.12 -0.73 0.00 1.25 3.64 -1.58 0.05 116.57 119.32 2asy h LYS 24 Ca -0.33 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2asy h LYS 24 Cb 2.12 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 34.11 2asy h LYS 24 CO 0.20 -0.49 -0.85 -0.35 -2.27 0.00 0.00 179.45 175.69 2asy n PRO 25 N -5.49 0.16 0.00 1.90 -0.04 -1.26 -4.31 135.00 125.95 2asy n PRO 25 Ca -0.09 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.41 2asy n PRO 25 Cb 0.40 -1.55 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 2asy n PRO 25 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2asy n LEU 26 N -1.76 0.90 -0.32 1.53 4.77 -1.17 -4.78 117.00 116.17 2asy n LEU 26 Ca 0.03 -0.73 0.04 0.00 -0.03 0.00 0.00 56.01 55.33 2asy n LEU 26 Cb 0.39 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.60 2asy n LEU 26 CO 0.39 0.19 0.68 0.00 -1.33 0.00 0.00 177.39 177.32 2asy h ALA 27 N 1.16 0.60 0.00 -1.18 0.00 -1.11 0.57 119.26 119.30 2asy h ALA 27 Ca 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2asy h ALA 27 Cb 0.22 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2asy h ALA 27 CO 0.00 -0.39 -0.03 1.05 0.00 0.00 0.00 179.25 179.88 2asy h GLU 28 N 0.00 0.00 0.00 0.00 4.11 -1.85 -1.73 114.58 115.11 2asy h GLU 28 Ca 0.43 0.00 -0.43 0.00 0.07 0.00 0.00 59.36 59.44 2asy h GLU 28 Cb 0.66 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 2asy h GLU 28 CO -0.93 0.03 -2.34 0.43 0.07 0.00 0.00 179.01 176.27 2asy n SER 29 N -3.16 1.95 0.04 3.06 7.64 0.15 -3.24 113.62 120.05 2asy n SER 29 Ca -0.00 0.32 -0.12 0.00 1.01 0.00 0.00 58.87 60.08 2asy n SER 29 Cb 0.26 -0.82 -0.09 0.00 -1.01 0.00 0.00 64.21 62.55 2asy n SER 29 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 2asy h ILE 30 N -0.92 1.07 0.00 0.44 -0.00 -0.14 -3.28 117.51 114.68 2asy h ILE 30 Ca -0.64 -1.12 -0.13 0.00 -0.00 0.00 0.00 64.86 62.97 2asy h ILE 30 Cb 1.59 1.74 -0.02 0.00 -0.00 0.00 0.00 36.82 40.13 2asy h ILE 30 CO -0.37 0.25 -1.04 0.78 -0.00 0.00 0.00 178.15 177.77 2asy h ASN 31 N -0.71 0.00 -0.01 2.16 2.35 -1.53 -3.48 115.58 114.36 2asy h ASN 31 Ca -0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2asy h ASN 31 Cb 0.53 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 2asy h ASN 31 CO 0.03 0.50 -0.00 1.67 -1.65 0.00 0.00 177.43 177.97 2asy n GLN 32 N -2.99 -0.42 -5.06 0.81 -0.06 -0.83 -4.13 117.38 104.69 2asy n GLN 32 Ca -0.05 0.12 -0.32 0.00 -2.00 0.00 0.00 57.00 54.76 2asy n GLN 32 Cb 0.78 -3.45 -0.15 0.00 -4.06 0.00 0.00 30.24 23.36 2asy n GLN 32 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 2asy s GLU 33 N -0.48 2.58 -0.03 3.69 4.04 -1.24 -4.90 118.70 122.35 2asy s GLU 33 Ca 0.00 -0.80 -0.03 0.00 0.04 0.00 0.00 54.97 54.18 2asy s GLU 33 Cb 0.00 -2.29 -0.01 0.00 0.02 0.00 0.00 34.13 31.85 2asy s GLU 33 CO 0.00 0.48 0.19 -1.00 -1.84 0.00 0.00 175.26 173.09 2asy h PRO 34 N 5.79 -0.09 0.00 -4.83 0.13 -1.90 -3.33 132.00 127.78 2asy h PRO 34 Ca -0.38 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2asy h PRO 34 Cb 1.16 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2asy h PRO 34 CO 0.49 -0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.62 2asy n GLY 35 N 1.41 3.08 4.94 1.56 0.00 -1.26 -4.89 105.19 110.02 2asy n GLY 35 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2asy n GLY 35 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2asy n PHE 36 N 0.00 0.00 -0.09 1.61 3.01 -1.26 -0.99 117.46 119.73 2asy n PHE 36 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.28 2asy n PHE 36 Cb 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.37 2asy n PHE 36 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2asy h LEU 37 N 0.00 0.00 0.00 4.37 -0.00 -1.89 -3.49 115.31 114.30 2asy h LEU 37 Ca 0.00 -0.44 -0.02 0.00 -0.00 0.00 0.00 57.88 57.42 2asy h LEU 37 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 2asy h LEU 37 CO 0.00 1.30 0.19 -2.67 -0.00 0.00 0.00 178.44 177.26 2asy n TRP 38 N -4.49 -1.91 -4.59 1.13 4.27 -1.22 -5.02 117.44 105.62 2asy n TRP 38 Ca -0.25 -1.23 -0.28 0.00 -3.89 0.00 0.00 57.50 51.84 2asy n TRP 38 Cb 0.58 0.62 -0.08 0.00 -1.36 0.00 0.00 31.31 31.06 2asy n TRP 38 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 2asy s LYS 39 N -2.06 2.00 -0.32 -2.67 2.47 -1.26 -4.57 119.74 113.33 2asy s LYS 39 Ca 0.11 -2.23 -0.20 0.00 -1.56 0.00 0.00 55.97 52.08 2asy s LYS 39 Cb -0.03 -0.95 -0.01 0.00 -1.46 0.00 0.00 37.83 35.38 2asy s LYS 39 CO 0.08 -0.41 0.63 0.54 0.16 0.00 0.00 175.35 176.35 2asy s VAL 40 N -3.09 4.93 -0.76 4.02 0.11 -1.26 -4.88 120.40 119.46 2asy s VAL 40 Ca 0.19 0.79 0.01 0.00 -2.93 0.00 0.00 61.98 60.04 2asy s VAL 40 Cb 0.03 -4.02 0.36 0.00 -1.53 0.00 0.00 36.38 31.21 2asy s VAL 40 CO 0.11 -0.18 1.59 -2.67 -3.33 0.00 0.00 175.10 170.62 2asy n TRP 41 N 5.92 3.21 -4.43 1.54 4.27 -1.26 -4.98 117.44 121.70 2asy n TRP 41 Ca -0.01 -2.85 -0.20 0.00 -3.89 0.00 0.00 57.50 50.55 2asy n TRP 41 Cb 0.49 -0.83 -0.14 0.00 -1.36 0.00 0.00 31.31 29.46 2asy n TRP 41 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 2asy s THR 42 N -4.87 0.94 -0.28 -1.67 2.01 -1.26 -5.02 115.64 105.48 2asy s THR 42 Ca 0.47 -0.66 -0.20 0.00 0.31 0.00 0.00 61.69 61.62 2asy s THR 42 Cb 0.34 -0.81 0.09 0.00 0.01 0.00 0.00 72.50 72.12 2asy s THR 42 CO -0.24 0.15 0.76 -0.70 -0.69 0.00 0.00 174.62 173.90 2asy s GLU 43 N -0.57 0.70 -0.35 4.92 2.12 -1.26 -3.31 118.70 120.93 2asy s GLU 43 Ca 0.03 1.04 0.03 0.00 0.36 0.00 0.00 54.97 56.43 2asy s GLU 43 Cb -0.06 0.23 0.15 0.00 0.26 0.00 0.00 34.13 34.71 2asy s GLU 43 CO 0.00 -0.12 0.38 -1.12 -0.54 0.00 0.00 175.26 173.87 2asy s SER 44 N 1.10 1.00 0.26 -1.70 0.01 -0.21 -4.96 113.70 109.20 2asy s SER 44 Ca -0.06 -1.31 -0.04 0.00 1.31 0.00 0.00 55.95 55.85 2asy s SER 44 Cb -0.05 0.69 0.32 0.00 0.21 0.00 0.00 66.02 67.18 2asy s SER 44 CO -0.12 -0.28 1.88 1.05 0.41 0.00 0.00 173.24 176.18 2asy h GLU 45 N 7.32 1.13 0.00 12.44 4.11 -1.96 0.61 114.58 138.23 2asy h GLU 45 Ca 0.01 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.30 2asy h GLU 45 Cb 1.07 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 2asy h GLU 45 CO 0.22 0.83 -0.06 1.57 0.07 0.00 0.00 179.01 181.64 2asy h LYS 46 N 1.13 0.00 0.00 1.06 -0.00 -1.94 -1.20 116.57 115.62 2asy h LYS 46 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.93 2asy h LYS 46 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.27 2asy h LYS 46 CO -0.04 0.06 -1.19 -1.71 -0.00 0.00 0.00 179.45 176.57 2asy n ASN 47 N -4.42 0.56 -2.97 7.07 5.15 -0.95 -4.96 115.26 114.74 2asy n ASN 47 Ca -0.03 -0.13 -0.20 0.00 -0.60 0.00 0.00 54.58 53.62 2asy n ASN 47 Cb 0.14 0.96 0.06 0.00 -0.53 0.00 0.00 39.78 40.41 2asy n ASN 47 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2asy n HIS 48 N -2.10 -2.28 -3.80 1.20 8.25 0.13 -4.97 115.22 111.66 2asy n HIS 48 Ca 0.01 0.78 -0.12 0.00 -0.26 0.00 0.00 57.72 58.13 2asy n HIS 48 Cb 0.47 -4.27 -0.10 0.00 1.12 0.00 0.00 29.99 27.21 2asy n HIS 48 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2asy s GLU 49 N -6.00 0.49 -0.11 -0.41 2.12 -0.75 -0.72 118.70 113.31 2asy s GLU 49 Ca 0.45 -0.05 -0.04 0.00 0.36 0.00 0.00 54.97 55.70 2asy s GLU 49 Cb -0.20 0.22 0.05 0.00 0.26 0.00 0.00 34.13 34.46 2asy s GLU 49 CO 0.56 -0.11 0.10 0.00 -0.54 0.00 0.00 175.26 175.27 2asy s ALA 50 N -0.81 0.19 0.00 6.30 0.00 0.88 -1.04 121.76 127.27 2asy s ALA 50 Ca -0.09 0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2asy s ALA 50 Cb -0.05 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.20 2asy s ALA 50 CO 0.02 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2asy n GLY 51 N 5.30 3.21 0.00 0.00 0.00 -1.21 -1.98 105.19 110.51 2asy n GLY 51 Ca -0.05 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2asy n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2asy n GLY 52 N -1.90 4.00 2.89 -0.02 0.00 -0.01 -4.74 105.19 105.41 2asy n GLY 52 Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 2asy n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2asy s ILE 53 N 1.61 0.56 0.27 -0.61 -1.09 -1.26 0.00 121.20 120.68 2asy s ILE 53 Ca 0.00 -0.12 -0.09 0.00 -2.23 0.00 0.00 60.65 58.21 2asy s ILE 53 Cb 0.00 -0.59 -0.01 0.00 -1.58 0.00 0.00 42.46 40.28 2asy s ILE 53 CO 0.00 0.24 0.44 -0.72 -1.23 0.00 0.00 174.94 173.67 2asy s TYR 54 N 1.05 0.61 -0.06 3.97 1.13 0.44 -4.93 117.35 119.55 2asy s TYR 54 Ca -0.09 -0.93 -0.24 0.00 -1.41 0.00 0.00 57.07 54.40 2asy s TYR 54 Cb -0.14 0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.74 2asy s TYR 54 CO -0.01 -1.00 0.72 -0.51 -2.51 0.00 0.00 175.55 172.24 2asy s LEU 55 N -3.08 4.33 0.13 -3.49 1.02 -1.25 -0.03 118.68 116.31 2asy s LEU 55 Ca 0.26 1.23 0.09 0.00 0.02 0.00 0.00 54.13 55.73 2asy s LEU 55 Cb 0.00 -3.12 -0.04 0.00 0.02 0.00 0.00 46.19 43.05 2asy s LEU 55 CO 0.12 -0.11 -0.17 0.12 0.02 0.00 0.00 176.35 176.32 2asy s PHE 56 N 0.75 2.54 0.57 0.29 5.36 0.18 -3.43 117.98 124.25 2asy s PHE 56 Ca 0.38 -0.26 0.37 0.00 -0.96 0.00 0.00 56.93 56.46 2asy s PHE 56 Cb -0.18 -1.32 1.43 0.00 -0.34 0.00 0.00 43.02 42.60 2asy s PHE 56 CO 0.19 0.42 1.61 0.00 -1.46 0.00 0.00 175.22 175.97 2asy h THR 57 N 3.39 0.16 0.00 0.12 1.03 -1.35 -0.50 112.91 115.76 2asy h THR 57 Ca -0.49 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 2asy h THR 57 Cb 1.18 0.20 0.00 0.00 -1.07 0.00 0.00 68.15 68.46 2asy h THR 57 CO 0.47 0.00 0.00 -0.90 -0.01 0.00 0.00 175.52 175.08 2asy n ASP 58 N -3.77 0.00 0.09 0.00 5.68 -1.26 -0.35 116.55 116.94 2asy n ASP 58 Ca 0.28 0.00 -0.23 0.00 -0.50 0.00 0.00 54.79 54.34 2asy n ASP 58 Cb 1.48 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 41.31 2asy n ASP 58 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2asy h GLU 59 N 0.00 0.42 -0.81 0.11 5.08 -1.94 -3.10 114.58 114.35 2asy h GLU 59 Ca 0.00 -0.72 -0.02 0.00 -1.00 0.00 0.00 59.36 57.62 2asy h GLU 59 Cb 0.00 0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 2asy h GLU 59 CO 0.00 1.35 0.45 1.57 -1.00 0.00 0.00 179.01 181.37 2asy h LYS 60 N 0.09 1.13 -0.02 2.33 2.10 -2.00 -1.63 116.57 118.57 2asy h LYS 60 Ca -0.32 -0.13 -0.19 0.00 -2.00 0.00 0.00 60.65 58.01 2asy h LYS 60 Cb 2.10 -0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 33.19 2asy h LYS 60 CO 0.20 0.83 -0.81 1.03 -2.00 0.00 0.00 179.45 178.69 2asy h SER 61 N 1.12 0.31 -0.10 7.07 0.87 -1.98 -3.33 113.55 117.51 2asy h SER 61 Ca 0.29 -0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2asy h SER 61 Cb 0.03 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 2asy h SER 61 CO -0.05 1.00 -0.13 0.00 -0.53 0.00 0.00 176.83 177.12 2asy h ALA 62 N 0.99 -0.06 0.00 6.23 0.00 -1.22 0.27 119.26 125.47 2asy h ALA 62 Ca -0.04 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2asy h ALA 62 Cb 1.41 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2asy h ALA 62 CO 0.13 -0.59 -0.34 1.37 0.00 0.00 0.00 179.25 179.82 2asy h LEU 63 N -0.17 0.00 -0.10 0.00 -0.00 -1.59 -2.30 115.31 111.14 2asy h LEU 63 Ca 0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.73 2asy h LEU 63 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 2asy h LEU 63 CO -0.20 0.34 -1.02 0.00 -0.00 0.00 0.00 178.44 177.56 2asy h ALA 64 N 1.66 0.34 0.00 0.17 0.00 -1.49 -3.27 119.26 116.67 2asy h ALA 64 Ca -0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2asy h ALA 64 Cb 0.80 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2asy h ALA 64 CO 0.04 0.96 0.00 0.66 0.00 0.00 0.00 179.25 180.91 2asy n TYR 65 N -3.60 0.00 0.01 0.00 4.02 0.90 -2.29 117.16 116.21 2asy n TYR 65 Ca -0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.81 2asy n TYR 65 Cb 0.90 -0.27 0.22 0.00 -0.02 0.00 0.00 39.34 40.16 2asy n TYR 65 CO 0.00 0.00 0.00 1.37 -1.01 0.00 0.00 176.86 177.22 2asy h LEU 66 N 0.00 0.49 -1.09 7.72 8.10 -1.51 -1.77 115.31 127.24 2asy h LEU 66 Ca 0.00 -0.15 -0.03 0.00 0.11 0.00 0.00 57.88 57.81 2asy h LEU 66 Cb 0.27 -0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 40.35 2asy h LEU 66 CO 0.00 0.70 -0.16 -0.08 -4.11 0.00 0.00 178.44 174.79 2asy h GLU 67 N 0.44 0.00 0.12 0.17 4.81 -1.66 0.28 114.58 118.74 2asy h GLU 67 Ca 0.07 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2asy h GLU 67 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2asy h GLU 67 CO 0.04 0.16 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.20 2asy h LYS 68 N 0.00 -0.16 0.10 1.92 1.63 -1.39 0.40 116.57 119.07 2asy h LYS 68 Ca -0.00 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2asy h LYS 68 Cb 0.72 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 2asy h LYS 68 CO 0.02 0.07 -0.05 0.45 -3.45 0.00 0.00 179.45 176.50 2asy h HIS 69 N -0.37 -0.13 -0.94 1.91 3.86 -1.12 -3.15 115.15 115.21 2asy h HIS 69 Ca -0.02 -0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.34 2asy h HIS 69 Cb 0.30 0.04 -0.08 0.00 1.06 0.00 0.00 27.41 28.73 2asy h HIS 69 CO -0.00 0.22 0.60 1.15 0.86 0.00 0.00 177.93 180.76 2asy h THR 70 N -0.49 0.82 -0.11 2.45 2.02 -0.43 -1.46 112.91 115.70 2asy h THR 70 Ca -0.01 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 66.94 2asy h THR 70 Cb 0.40 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.80 2asy h THR 70 CO 0.02 0.14 0.27 0.00 0.37 0.00 0.00 175.52 176.32 2asy h ALA 71 N 1.59 1.53 0.00 6.16 0.00 -0.15 0.66 119.26 129.06 2asy h ALA 71 Ca 0.49 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.25 2asy h ALA 71 Cb 0.74 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2asy h ALA 71 CO -0.25 -0.33 -0.82 0.00 0.00 0.00 0.00 179.25 177.84 2asy h ARG 72 N 0.00 0.00 0.00 0.00 -0.00 -1.41 -3.34 114.38 109.63 2asy h ARG 72 Ca 0.05 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.44 2asy h ARG 72 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.56 2asy h ARG 72 CO -0.00 0.94 -0.47 1.37 0.00 0.00 0.00 179.97 181.81 2asy h LEU 73 N -1.00 0.00 -1.51 3.04 8.10 -1.15 -1.48 115.31 121.31 2asy h LEU 73 Ca -0.22 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.72 2asy h LEU 73 Cb 1.16 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.37 2asy h LEU 73 CO -0.14 0.47 -0.24 0.07 -4.11 0.00 0.00 178.44 174.49 2asy h LYS 74 N 0.00 0.00 0.00 0.17 2.10 0.11 0.44 116.57 119.38 2asy h LYS 74 Ca -0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 2asy h LYS 74 Cb 1.31 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2asy h LYS 74 CO 0.06 0.24 -0.17 -0.97 -2.00 0.00 0.00 179.45 176.61 2asy h ASN 75 N 0.00 0.00 0.00 7.07 -1.24 -1.59 -3.43 115.58 116.39 2asy h ASN 75 Ca -0.00 -0.51 0.00 0.00 0.71 0.00 0.00 56.30 56.50 2asy h ASN 75 Cb 0.52 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.57 2asy h ASN 75 CO 0.03 0.85 -0.03 0.00 -1.29 0.00 0.00 177.43 176.99 2asy n LEU 76 N -4.65 0.00 0.00 0.34 -0.00 -0.59 -5.00 117.00 107.10 2asy n LEU 76 Ca -0.08 -0.49 0.00 0.00 -0.00 0.00 0.00 56.01 55.44 2asy n LEU 76 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 2asy n LEU 76 CO 0.18 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.18 2asy n GLY 77 N 1.05 0.53 0.00 1.47 0.00 0.14 -4.88 105.19 103.49 2asy n GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2asy n GLY 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2asy n VAL 78 N 0.00 0.00 0.00 1.61 3.14 -0.30 -4.55 118.33 118.23 2asy n VAL 78 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2asy n VAL 78 Cb 0.00 -0.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.74 2asy n VAL 78 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2asy n GLU 79 N -0.45 0.00 -3.84 1.45 1.02 -1.26 -4.86 120.64 112.70 2asy n GLU 79 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2asy n GLU 79 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 2asy n GLU 79 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2asy s GLU 80 N 0.00 1.19 0.08 3.49 2.02 -1.26 -4.21 118.70 120.01 2asy s GLU 80 Ca 0.00 -1.00 -0.25 0.00 0.02 0.00 0.00 54.97 53.73 2asy s GLU 80 Cb 0.00 0.43 -0.06 0.00 0.10 0.00 0.00 34.13 34.60 2asy s GLU 80 CO 0.00 -0.46 0.78 0.08 0.02 0.00 0.00 175.26 175.68 2asy s VAL 81 N -3.91 4.62 -0.43 2.63 1.01 -1.26 -4.57 120.40 118.50 2asy s VAL 81 Ca 0.12 1.68 -0.18 0.00 0.00 0.00 0.00 61.98 63.60 2asy s VAL 81 Cb 0.02 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.29 2asy s VAL 81 CO -0.03 0.40 0.48 -0.69 0.00 0.00 0.00 175.10 175.26 2asy s VAL 82 N -0.33 5.04 -0.04 2.92 1.01 0.14 -4.94 120.40 124.20 2asy s VAL 82 Ca 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 2asy s VAL 82 Cb -0.21 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.11 2asy s VAL 82 CO 0.24 -0.48 0.04 0.00 0.00 0.00 0.00 175.10 174.91 2asy s ALA 83 N 2.25 0.30 0.12 5.51 0.00 -1.25 -1.68 121.76 127.01 2asy s ALA 83 Ca 0.14 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 2asy s ALA 83 Cb -0.17 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 2asy s ALA 83 CO 0.14 -0.42 0.03 0.15 0.00 0.00 0.00 175.76 175.67 2asy s LYS 84 N 1.94 0.90 -0.19 0.00 3.01 -1.16 -4.87 119.74 119.38 2asy s LYS 84 Ca 0.02 -1.42 0.01 0.00 -1.01 0.00 0.00 55.97 53.58 2asy s LYS 84 Cb -0.12 0.15 0.03 0.00 -1.01 0.00 0.00 37.83 36.88 2asy s LYS 84 CO -0.03 -0.21 -0.17 0.08 0.51 0.00 0.00 175.35 175.53 2asy s VAL 85 N -3.96 1.93 0.53 3.17 1.01 -1.26 -0.90 120.40 120.92 2asy s VAL 85 Ca 0.21 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.30 2asy s VAL 85 Cb 0.07 -1.82 0.08 0.00 0.00 0.00 0.00 36.38 34.71 2asy s VAL 85 CO 0.00 0.41 0.68 2.22 0.00 0.00 0.00 175.10 178.41 2asy n PHE 86 N 4.63 -2.06 -4.26 5.22 -1.74 -1.26 -5.07 117.46 112.93 2asy n PHE 86 Ca -0.19 -1.98 -0.16 0.00 -0.56 0.00 0.00 57.45 54.56 2asy n PHE 86 Cb 0.49 -0.49 -0.10 0.00 1.52 0.00 0.00 39.48 40.89 2asy n PHE 86 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2asy s ASP 87 N -4.25 1.98 -0.28 5.98 -1.08 -1.26 -4.89 116.67 112.87 2asy s ASP 87 Ca 0.51 -0.93 -0.25 0.00 -0.52 0.00 0.00 52.55 51.36 2asy s ASP 87 Cb -0.04 -0.05 0.00 0.00 -1.46 0.00 0.00 42.92 41.37 2asy s ASP 87 CO 0.33 -0.23 0.88 -0.69 0.52 0.00 0.00 175.17 175.98 2asy s VAL 88 N -2.77 4.74 -0.70 1.11 1.01 -1.26 -4.99 120.40 117.55 2asy s VAL 88 Ca 0.14 1.51 -0.15 0.00 0.00 0.00 0.00 61.98 63.49 2asy s VAL 88 Cb -0.01 -4.21 0.18 0.00 0.00 0.00 0.00 36.38 32.34 2asy s VAL 88 CO 0.03 -0.23 0.64 0.21 0.00 0.00 0.00 175.10 175.75 2asy s ASN 89 N 1.48 6.48 0.37 3.32 2.47 -1.26 -4.96 114.94 122.85 2asy s ASN 89 Ca 0.37 -2.31 0.10 0.00 0.42 0.00 0.00 52.86 51.44 2asy s ASN 89 Cb -0.14 -2.20 0.72 0.00 -1.45 0.00 0.00 41.25 38.18 2asy s ASN 89 CO 0.11 -0.69 1.86 -0.33 -3.72 0.00 0.00 177.10 174.33 2asy h GLU 90 N 8.24 0.18 -0.98 0.43 5.08 -2.02 -3.20 114.58 122.30 2asy h GLU 90 Ca -0.07 -0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.43 2asy h GLU 90 Cb 1.06 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.19 2asy h GLU 90 CO 0.87 0.41 0.58 -1.00 -1.00 0.00 0.00 179.01 178.87 2asy h PRO 91 N 0.16 0.69 -0.18 2.33 0.13 -2.05 -0.80 132.00 132.28 2asy h PRO 91 Ca 0.03 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2asy h PRO 91 Cb 0.51 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.48 2asy h PRO 91 CO 0.04 0.46 0.00 1.28 -0.23 0.00 0.00 178.00 179.55 2asy n LEU 92 N -4.80 0.95 0.02 1.56 4.77 -1.21 -3.37 117.00 114.92 2asy n LEU 92 Ca 0.23 -0.48 0.09 0.00 -0.03 0.00 0.00 56.01 55.83 2asy n LEU 92 Cb 0.57 -0.12 0.41 0.00 -2.33 0.00 0.00 43.42 41.95 2asy n LEU 92 CO 0.20 0.24 0.80 -1.54 -1.33 0.00 0.00 177.39 175.77 2asy n SER 93 N 0.02 0.13 -0.32 -1.43 3.41 -0.31 -2.19 113.62 112.93 2asy n SER 93 Ca 0.06 0.53 -0.01 0.00 -0.26 0.00 0.00 58.87 59.18 2asy n SER 93 Cb 0.15 -0.56 0.15 0.00 -0.26 0.00 0.00 64.21 63.69 2asy n SER 93 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2asy h GLN 94 N 0.00 1.21 -0.45 4.33 5.75 -1.77 -1.44 115.11 122.74 2asy h GLN 94 Ca 0.00 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 2asy h GLN 94 Cb 0.34 -0.27 0.00 0.00 1.07 0.00 0.00 27.48 28.63 2asy h GLN 94 CO 0.00 0.82 0.00 -0.89 -2.65 0.00 0.00 178.83 176.11 2asy n ILE 95 N -4.38 0.60 -0.04 2.39 -0.00 -0.93 -3.34 119.36 113.66 2asy n ILE 95 Ca 0.10 -0.64 -0.06 0.00 -0.00 0.00 0.00 62.75 62.15 2asy n ILE 95 Cb 0.03 0.40 -0.14 0.00 -0.00 0.00 0.00 39.64 39.93 2asy n ILE 95 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 2asy n ASN 96 N 0.94 0.54 -0.87 4.38 2.85 -0.55 -4.62 115.26 117.93 2asy n ASN 96 Ca 0.17 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.89 2asy n ASN 96 Cb 0.43 0.43 0.00 0.00 1.24 0.00 0.00 39.78 41.88 2asy n ASN 96 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2asy n GLN 97 N -2.88 0.89 -0.03 1.20 6.02 -1.18 -3.18 117.38 118.22 2asy n GLN 97 Ca -0.20 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.76 2asy n GLN 97 Cb 1.03 -1.16 -0.01 0.00 1.02 0.00 0.00 30.24 31.12 2asy n GLN 97 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2asy n ALA 98 N 0.42 0.24 0.02 -1.58 0.00 -1.26 -4.37 120.51 113.99 2asy n ALA 98 Ca 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.01 2asy n ALA 98 Cb 0.39 0.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.71 2asy n ALA 98 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2asy h LYS 99 N -0.37 0.03 -0.90 0.00 1.79 -1.94 -3.31 116.57 111.87 2asy h LYS 99 Ca 0.00 -0.05 -0.18 0.00 -2.18 0.00 0.00 60.65 58.24 2asy h LYS 99 Cb 0.28 0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 30.84 2asy h LYS 99 CO 0.00 0.79 0.23 1.28 -1.08 0.00 0.00 179.45 180.67 2asy n LEU 100 N -3.23 4.63 -0.86 2.94 4.77 -1.19 -5.22 117.00 118.84 2asy n LEU 100 Ca -0.09 -2.41 0.11 0.00 -0.03 0.00 0.00 56.01 53.59 2asy n LEU 100 Cb 1.00 -0.66 0.09 0.00 -2.33 0.00 0.00 43.42 41.52 2asy n LEU 100 CO 0.46 0.68 0.59 0.00 -1.33 0.00 0.00 177.39 177.80