#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 -1.19 -1.77 -5.12 0.00 -1.24 -4.95 120.51 106.25 2asy n ALA 2 Ca 0.00 0.37 -0.38 0.00 0.00 0.00 0.00 53.44 53.43 2asy n ALA 2 Cb 0.00 -5.01 -0.03 0.00 0.00 0.00 0.00 19.45 14.42 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 -3.28 3.24 -0.30 0.00 2.01 -0.09 -4.77 115.64 112.45 2asy s THR 3 Ca 0.50 1.06 -0.20 0.00 0.31 0.00 0.00 61.69 63.37 2asy s THR 3 Cb -0.22 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 2asy s THR 3 CO 0.62 0.12 0.60 -0.22 -0.69 0.00 0.00 174.62 175.06 2asy s LEU 4 N -2.34 4.15 -0.03 4.42 2.96 -1.26 -0.15 118.68 126.43 2asy s LEU 4 Ca 0.55 0.41 0.04 0.00 -0.22 0.00 0.00 54.13 54.90 2asy s LEU 4 Cb -0.30 -2.78 -0.00 0.00 0.50 0.00 0.00 46.19 43.61 2asy s LEU 4 CO 0.38 -0.45 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.60 2asy s LEU 5 N 2.55 1.86 -0.10 -0.68 2.96 0.31 -1.54 118.68 124.05 2asy s LEU 5 Ca 0.24 -0.28 -0.16 0.00 -0.22 0.00 0.00 54.13 53.71 2asy s LEU 5 Cb -0.15 -0.79 -0.05 0.00 0.50 0.00 0.00 46.19 45.70 2asy s LEU 5 CO 0.11 0.12 0.41 -1.10 -1.32 0.00 0.00 176.35 174.57 2asy s GLN 6 N 0.09 4.19 -0.23 1.98 -0.21 0.10 -0.29 119.66 125.30 2asy s GLN 6 Ca -0.03 0.34 -0.03 0.00 0.02 0.00 0.00 55.36 55.66 2asy s GLN 6 Cb -0.10 -3.37 0.12 0.00 1.00 0.00 0.00 33.01 30.66 2asy s GLN 6 CO 0.01 0.33 0.34 -1.17 -2.12 0.00 0.00 175.29 172.69 2asy s LEU 7 N 0.10 -0.51 0.02 2.90 0.20 0.12 -1.29 118.68 120.21 2asy s LEU 7 Ca 0.23 0.15 -0.21 0.00 0.69 0.00 0.00 54.13 54.99 2asy s LEU 7 Cb -0.15 0.95 0.04 0.00 -0.43 0.00 0.00 46.19 46.61 2asy s LEU 7 CO 0.09 -0.30 0.47 -1.38 -0.29 0.00 0.00 176.35 174.94 2asy s HIS 8 N 2.50 -0.36 0.13 5.38 -3.43 -0.40 -1.08 115.29 118.01 2asy s HIS 8 Ca 0.11 0.45 -0.08 0.00 -0.80 0.00 0.00 55.06 54.74 2asy s HIS 8 Cb -0.15 0.27 -0.01 0.00 -1.43 0.00 0.00 32.58 31.26 2asy s HIS 8 CO -0.15 -0.57 0.23 -0.59 -2.00 0.00 0.00 174.74 171.66 2asy s PHE 9 N -2.07 0.30 0.56 0.38 -0.71 -0.55 0.24 117.98 116.13 2asy s PHE 9 Ca -0.08 -0.70 -0.21 0.00 -1.04 0.00 0.00 56.93 54.90 2asy s PHE 9 Cb -0.01 -0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 2asy s PHE 9 CO 0.01 -0.63 1.31 0.00 -1.34 0.00 0.00 175.22 174.57 2asy s ALA 10 N -3.92 2.72 0.62 1.99 0.00 -1.26 -0.17 121.76 121.74 2asy s ALA 10 Ca 0.12 1.23 -0.08 0.00 0.00 0.00 0.00 51.96 53.23 2asy s ALA 10 Cb 0.04 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.64 2asy s ALA 10 CO -0.05 -1.30 0.95 0.12 0.00 0.00 0.00 175.76 175.48 2asy s PHE 11 N -1.38 3.31 -0.93 0.00 5.36 0.49 -3.82 117.98 121.01 2asy s PHE 11 Ca 0.73 0.80 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 2asy s PHE 11 Cb -0.37 -2.80 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 2asy s PHE 11 CO 0.43 -0.88 0.00 -1.71 -1.46 0.00 0.00 175.22 171.60 2asy n ASN 12 N -2.69 -3.65 -0.01 6.13 5.15 -1.26 -4.79 115.26 114.14 2asy n ASN 12 Ca 0.05 0.07 -0.01 0.00 -0.60 0.00 0.00 54.58 54.09 2asy n ASN 12 Cb 0.57 -2.64 -0.00 0.00 -0.53 0.00 0.00 39.78 37.18 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 -1.23 -0.59 3.95 8.20 0.00 -1.25 -4.79 105.19 109.48 2asy n GLY 13 Ca -0.11 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 2asy n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2asy s PRO 14 N -1.18 1.49 0.45 1.61 0.04 -1.26 -4.15 135.00 132.00 2asy s PRO 14 Ca -0.02 -0.57 0.19 0.00 0.04 0.00 0.00 61.00 60.63 2asy s PRO 14 Cb 0.00 -2.11 1.06 0.00 0.04 0.00 0.00 34.50 33.50 2asy s PRO 14 CO 0.03 -1.72 1.96 0.74 0.04 0.00 0.00 177.00 178.06 2asy h PHE 15 N -0.94 0.00 0.00 0.56 0.04 -1.98 -3.46 116.94 111.16 2asy h PHE 15 Ca -0.42 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.35 2asy h PHE 15 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 2asy h PHE 15 CO -0.35 0.22 0.00 0.41 -0.60 0.00 0.00 178.31 178.00 2asy n GLY 16 N -0.67 4.02 0.34 -1.45 0.00 -1.26 -4.75 105.19 101.41 2asy n GLY 16 Ca -0.02 -0.92 0.14 0.00 0.00 0.00 0.00 46.02 45.22 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 1.72 0.08 -0.94 1.61 3.32 -1.94 0.45 116.42 120.72 2asy h ASP 17 Ca 0.00 0.00 0.23 0.00 0.02 0.00 0.00 57.03 57.28 2asy h ASP 17 Cb 0.00 -0.02 -0.12 0.00 0.22 0.00 0.00 39.33 39.41 2asy h ASP 17 CO 0.00 0.05 0.47 0.00 -1.72 0.00 0.00 179.24 178.04 2asy h ALA 18 N 1.81 1.58 0.00 3.45 0.00 -1.94 0.49 119.26 124.65 2asy h ALA 18 Ca 0.18 0.15 -0.36 0.00 0.00 0.00 0.00 54.91 54.87 2asy h ALA 18 Cb 0.58 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 2asy h ALA 18 CO -0.02 -0.32 -2.38 -1.33 0.00 0.00 0.00 179.25 175.21 2asy n MET 19 N -4.98 0.72 0.20 0.00 2.81 -0.05 -1.08 117.12 114.73 2asy n MET 19 Ca 0.24 0.07 0.06 0.00 -1.81 0.00 0.00 57.70 56.27 2asy n MET 19 Cb 0.69 -1.50 0.37 0.00 -0.71 0.00 0.00 33.22 32.08 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 0.44 1.03 0.00 3.04 0.00 -0.72 -3.35 119.26 119.69 2asy h ALA 20 Ca -0.54 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.05 2asy h ALA 20 Cb 2.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.75 2asy h ALA 20 CO -0.03 0.43 -0.05 -1.91 0.00 0.00 0.00 179.25 177.68 2asy n GLU 21 N -3.54 0.00 0.23 0.00 2.13 0.12 -4.85 120.64 114.72 2asy n GLU 21 Ca -0.00 0.00 0.16 0.00 0.66 0.00 0.00 57.16 57.97 2asy n GLU 21 Cb 0.48 -0.07 0.80 0.00 0.27 0.00 0.00 31.44 32.92 2asy n GLU 21 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2asy h GLN 22 N 0.00 0.00 -0.27 5.31 1.08 -0.34 -1.41 115.11 119.48 2asy h GLN 22 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2asy h GLN 22 Cb 0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2asy h GLN 22 CO 0.00 0.00 0.06 1.25 -0.95 0.00 0.00 178.83 179.19 2asy h LEU 23 N 0.00 0.41 -0.20 1.46 7.12 -1.24 -1.60 115.31 121.26 2asy h LEU 23 Ca 0.00 -0.24 -0.01 0.00 0.13 0.00 0.00 57.88 57.76 2asy h LEU 23 Cb 0.07 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.08 2asy h LEU 23 CO 0.00 0.55 0.09 0.07 -0.13 0.00 0.00 178.44 179.02 2asy h LYS 24 N 0.26 0.29 0.00 1.25 2.10 -1.53 0.12 116.57 119.06 2asy h LYS 24 Ca 0.08 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.68 2asy h LYS 24 Cb 0.30 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2asy h LYS 24 CO 0.00 0.34 -1.17 -0.35 -2.00 0.00 0.00 179.45 176.27 2asy n PRO 25 N -4.85 0.61 -0.02 0.07 -0.04 -1.25 -4.43 135.00 125.10 2asy n PRO 25 Ca -0.04 0.07 0.01 0.00 -0.04 0.00 0.00 63.50 63.51 2asy n PRO 25 Cb 0.11 -1.78 0.02 0.00 -0.04 0.00 0.00 33.50 31.81 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 -2.62 1.79 -0.32 1.53 4.77 -0.60 -4.79 117.00 116.77 2asy n LEU 26 Ca -0.01 -1.60 0.10 0.00 -0.03 0.00 0.00 56.01 54.48 2asy n LEU 26 Cb 0.56 -0.03 0.23 0.00 -2.33 0.00 0.00 43.42 41.85 2asy n LEU 26 CO 0.41 0.44 0.79 0.00 -1.33 0.00 0.00 177.39 177.70 2asy h ALA 27 N 0.44 0.98 0.00 -1.18 0.00 -0.78 0.58 119.26 119.30 2asy h ALA 27 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2asy h ALA 27 Cb 0.37 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2asy h ALA 27 CO 0.00 -0.50 0.00 1.05 0.00 0.00 0.00 179.25 179.80 2asy h GLU 28 N 0.04 0.00 0.00 0.00 4.11 -1.86 0.26 114.58 117.13 2asy h GLU 28 Ca 0.52 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.64 2asy h GLU 28 Cb 1.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 2asy h GLU 28 CO -0.85 0.00 -2.03 0.43 0.07 0.00 0.00 179.01 176.63 2asy n SER 29 N -3.08 1.80 -0.03 3.06 7.64 0.16 -3.75 113.62 119.41 2asy n SER 29 Ca -0.01 0.31 -0.13 0.00 1.01 0.00 0.00 58.87 60.05 2asy n SER 29 Cb 0.23 -0.73 -0.11 0.00 -1.01 0.00 0.00 64.21 62.58 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 -0.91 1.54 0.13 0.44 -0.00 -0.31 -3.35 117.51 115.05 2asy h ILE 30 Ca -0.48 -1.61 -0.35 0.00 -0.00 0.00 0.00 64.86 62.42 2asy h ILE 30 Cb 1.40 2.62 -0.01 0.00 -0.00 0.00 0.00 36.82 40.82 2asy h ILE 30 CO -0.29 0.42 -1.85 -1.13 -0.00 0.00 0.00 178.15 175.30 2asy h ASN 31 N -0.64 0.43 0.00 2.16 -1.24 -1.54 -3.48 115.58 111.28 2asy h ASN 31 Ca -0.00 -0.82 0.00 0.00 0.71 0.00 0.00 56.30 56.19 2asy h ASN 31 Cb 0.70 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.61 2asy h ASN 31 CO 0.00 1.72 0.00 0.00 -1.29 0.00 0.00 177.43 177.87 2asy n GLN 32 N -3.47 0.00 -2.68 6.67 10.64 0.84 -4.54 117.38 124.84 2asy n GLN 32 Ca -0.27 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.48 2asy n GLN 32 Cb 1.06 -3.59 -0.02 0.00 -0.86 0.00 0.00 30.24 26.82 2asy n GLN 32 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2asy s GLU 33 N 0.00 4.40 0.00 2.61 -6.30 -1.26 -4.90 118.70 113.24 2asy s GLU 33 Ca 0.00 1.39 0.00 0.00 -2.50 0.00 0.00 54.97 53.86 2asy s GLU 33 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 34.13 30.57 2asy s GLU 33 CO 0.00 -0.36 0.43 -0.35 0.02 0.00 0.00 175.26 175.00 2asy n PRO 34 N 5.18 0.00 0.00 4.30 -0.04 -1.26 -4.81 135.00 138.37 2asy n PRO 34 Ca 0.09 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 2asy n PRO 34 Cb 0.48 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 2asy n PRO 34 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2asy n GLY 35 N 0.70 3.09 5.00 0.55 0.00 -1.26 -4.88 105.19 108.40 2asy n GLY 35 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.04 1.61 3.01 -1.26 -0.67 117.46 120.11 2asy n PHE 36 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.46 2asy n PHE 36 Cb 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.47 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 -1.90 -3.49 115.31 114.29 2asy h LEU 37 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 2asy h LEU 37 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2asy h LEU 37 CO 0.00 0.38 0.18 -2.67 -0.00 0.00 0.00 178.44 176.33 2asy n TRP 38 N -3.96 -2.02 -4.29 1.13 4.27 -1.22 -5.05 117.44 106.29 2asy n TRP 38 Ca -0.01 -1.59 -0.15 0.00 -3.89 0.00 0.00 57.50 51.86 2asy n TRP 38 Cb 0.02 0.73 -0.04 0.00 -1.36 0.00 0.00 31.31 30.65 2asy n TRP 38 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 2asy n LYS 39 N -0.45 0.67 -3.31 -2.67 5.02 -1.26 -4.51 118.16 111.65 2asy n LYS 39 Ca -0.06 -2.11 -0.38 0.00 -2.02 0.00 0.00 58.31 53.74 2asy n LYS 39 Cb 0.49 1.20 -0.06 0.00 -0.02 0.00 0.00 35.03 36.64 2asy n LYS 39 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2asy s VAL 40 N -2.52 5.01 -0.64 -0.18 0.11 -1.26 -4.92 120.40 116.00 2asy s VAL 40 Ca 0.14 1.06 0.06 0.00 -2.93 0.00 0.00 61.98 60.31 2asy s VAL 40 Cb 0.01 -3.84 0.25 0.00 -1.53 0.00 0.00 36.38 31.26 2asy s VAL 40 CO 0.10 0.44 0.73 -2.67 -3.33 0.00 0.00 175.10 170.37 2asy n TRP 41 N 2.73 3.59 -3.77 1.54 4.27 -1.26 -5.00 117.44 119.54 2asy n TRP 41 Ca -0.09 -4.16 -0.13 0.00 -3.89 0.00 0.00 57.50 49.23 2asy n TRP 41 Cb 0.51 -0.56 -0.13 0.00 -1.36 0.00 0.00 31.31 29.77 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 -2.41 -0.03 -0.03 -1.67 2.01 -1.26 -4.99 115.64 107.27 2asy s THR 42 Ca 0.39 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.48 2asy s THR 42 Cb 0.14 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.38 2asy s THR 42 CO -0.02 0.04 0.06 -0.70 -0.69 0.00 0.00 174.62 173.31 2asy s GLU 43 N 0.80 0.03 -0.28 4.92 2.12 -1.26 -2.13 118.70 122.90 2asy s GLU 43 Ca -0.06 0.14 -0.04 0.00 0.36 0.00 0.00 54.97 55.38 2asy s GLU 43 Cb -0.07 -0.08 0.10 0.00 0.26 0.00 0.00 34.13 34.34 2asy s GLU 43 CO -0.04 -0.07 0.13 0.45 -0.54 0.00 0.00 175.26 175.18 2asy s SER 44 N 0.48 3.50 0.22 -1.70 0.15 -0.69 -4.95 113.70 110.71 2asy s SER 44 Ca -0.04 -1.27 0.03 0.00 0.70 0.00 0.00 55.95 55.37 2asy s SER 44 Cb -0.05 -0.37 0.21 0.00 -1.71 0.00 0.00 66.02 64.09 2asy s SER 44 CO -0.02 -0.43 1.54 1.05 1.20 0.00 0.00 173.24 176.58 2asy h GLU 45 N 8.39 0.31 -0.10 5.44 4.11 -1.96 -0.01 114.58 130.76 2asy h GLU 45 Ca -0.19 -0.21 -0.08 0.00 0.07 0.00 0.00 59.36 58.95 2asy h GLU 45 Cb 1.02 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2asy h GLU 45 CO 0.43 0.82 -0.30 1.57 0.07 0.00 0.00 179.01 181.61 2asy h LYS 46 N 0.23 0.18 0.00 1.06 -0.00 -1.92 -2.65 116.57 113.46 2asy h LYS 46 Ca -0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 60.65 60.58 2asy h LYS 46 Cb 1.12 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.34 2asy h LYS 46 CO 0.10 0.47 -1.35 -1.71 -0.00 0.00 0.00 179.45 176.95 2asy n ASN 47 N -4.13 0.50 -2.35 7.07 5.15 -1.20 -4.96 115.26 115.34 2asy n ASN 47 Ca -0.01 -0.26 -0.15 0.00 -0.60 0.00 0.00 54.58 53.55 2asy n ASN 47 Cb 0.38 1.23 0.04 0.00 -0.53 0.00 0.00 39.78 40.90 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 -2.02 -1.65 -3.68 1.20 8.25 -0.11 -4.97 115.22 112.25 2asy n HIS 48 Ca 0.00 0.53 -0.15 0.00 -0.26 0.00 0.00 57.72 57.84 2asy n HIS 48 Cb 0.47 -3.53 -0.08 0.00 1.12 0.00 0.00 29.99 27.96 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 -5.62 0.78 -0.03 -0.41 2.12 -0.67 -0.38 118.70 114.50 2asy s GLU 49 Ca 0.31 0.02 0.01 0.00 0.36 0.00 0.00 54.97 55.67 2asy s GLU 49 Cb -0.13 0.36 0.02 0.00 0.26 0.00 0.00 34.13 34.63 2asy s GLU 49 CO 0.38 -0.22 -0.03 0.00 -0.54 0.00 0.00 175.26 174.85 2asy s ALA 50 N -1.14 0.45 0.00 6.30 0.00 0.76 -1.70 121.76 126.42 2asy s ALA 50 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2asy s ALA 50 Cb -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.81 2asy s ALA 50 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.23 2asy n GLY 51 N 3.74 2.48 0.00 0.00 0.00 -0.90 -1.48 105.19 109.02 2asy n GLY 51 Ca -0.22 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.92 3.62 3.11 -0.02 0.00 -0.24 -4.74 105.19 104.99 2asy n GLY 52 Ca 0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 0.12 1.14 0.33 -0.61 -1.09 -1.26 0.13 121.20 119.96 2asy s ILE 53 Ca 0.00 -0.62 -0.11 0.00 -2.23 0.00 0.00 60.65 57.70 2asy s ILE 53 Cb 0.00 -0.95 0.02 0.00 -1.58 0.00 0.00 42.46 39.95 2asy s ILE 53 CO 0.00 0.32 0.61 -0.72 -1.23 0.00 0.00 174.94 173.92 2asy s TYR 54 N -0.33 0.48 -0.16 3.97 1.13 0.60 -4.88 117.35 118.16 2asy s TYR 54 Ca 0.05 -0.91 -0.19 0.00 -1.41 0.00 0.00 57.07 54.62 2asy s TYR 54 Cb -0.06 0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 41.13 2asy s TYR 54 CO -0.01 -1.26 0.51 -0.51 -2.51 0.00 0.00 175.55 171.78 2asy s LEU 55 N -3.10 4.21 0.09 -3.49 1.02 -1.25 -0.53 118.68 115.63 2asy s LEU 55 Ca 0.22 0.77 0.07 0.00 0.02 0.00 0.00 54.13 55.20 2asy s LEU 55 Cb -0.03 -2.73 -0.04 0.00 0.02 0.00 0.00 46.19 43.42 2asy s LEU 55 CO 0.14 -0.10 -0.10 0.12 0.02 0.00 0.00 176.35 176.43 2asy s PHE 56 N 1.16 2.76 0.50 0.29 5.36 0.79 -3.43 117.98 125.41 2asy s PHE 56 Ca 0.26 -0.14 0.34 0.00 -0.96 0.00 0.00 56.93 56.42 2asy s PHE 56 Cb -0.15 -1.45 1.48 0.00 -0.34 0.00 0.00 43.02 42.55 2asy s PHE 56 CO 0.10 0.42 1.74 0.00 -1.46 0.00 0.00 175.22 176.02 2asy h THR 57 N 3.30 0.33 -2.84 0.12 1.03 -1.20 -0.21 112.91 113.44 2asy h THR 57 Ca -0.49 -0.03 0.07 0.00 -0.01 0.00 0.00 66.41 65.95 2asy h THR 57 Cb 1.17 0.24 -0.04 0.00 -1.07 0.00 0.00 68.15 68.45 2asy h THR 57 CO 0.52 0.02 0.32 -1.81 -0.01 0.00 0.00 175.52 174.56 2asy s ASP 58 N -4.91 -0.13 -0.22 0.00 1.11 -1.26 -0.36 116.67 110.90 2asy s ASP 58 Ca -0.06 -0.76 -0.16 0.00 0.18 0.00 0.00 52.55 51.75 2asy s ASP 58 Cb 0.25 0.71 -0.18 0.00 1.07 0.00 0.00 42.92 44.76 2asy s ASP 58 CO 0.82 -1.35 0.07 -0.62 1.18 0.00 0.00 175.17 175.26 2asy n GLU 59 N -0.51 0.61 -0.24 8.23 1.02 -1.26 -3.49 120.64 124.99 2asy n GLU 59 Ca -0.06 0.42 0.02 0.00 -0.02 0.00 0.00 57.16 57.53 2asy n GLU 59 Cb 0.60 -1.66 0.14 0.00 -0.02 0.00 0.00 31.44 30.50 2asy n GLU 59 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 2asy h LYS 60 N -0.76 0.50 0.00 3.49 2.10 -2.00 -0.48 116.57 119.41 2asy h LYS 60 Ca -0.47 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.12 2asy h LYS 60 Cb 1.54 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 32.75 2asy h LYS 60 CO -0.21 0.33 -0.14 0.77 -2.00 0.00 0.00 179.45 178.20 2asy h SER 61 N 0.51 0.00 0.58 7.07 0.02 -1.97 -3.28 113.55 116.48 2asy h SER 61 Ca 0.36 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.28 2asy h SER 61 Cb 0.44 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.99 2asy h SER 61 CO -0.31 0.14 -0.28 0.00 -1.14 0.00 0.00 176.83 175.24 2asy h ALA 62 N 1.86 -0.77 0.00 3.77 0.00 -1.12 0.27 119.26 123.27 2asy h ALA 62 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2asy h ALA 62 Cb 1.00 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2asy h ALA 62 CO 0.02 -0.88 0.00 1.37 0.00 0.00 0.00 179.25 179.76 2asy h LEU 63 N -0.88 0.00 -0.12 0.00 -0.00 -1.67 -2.54 115.31 110.10 2asy h LEU 63 Ca -0.08 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.58 2asy h LEU 63 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.28 2asy h LEU 63 CO 0.13 0.00 -0.99 0.00 -0.00 0.00 0.00 178.44 177.58 2asy h ALA 64 N 2.05 0.38 0.00 0.17 0.00 -1.55 -3.28 119.26 117.03 2asy h ALA 64 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2asy h ALA 64 Cb 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2asy h ALA 64 CO 0.00 1.01 -0.20 0.66 0.00 0.00 0.00 179.25 180.72 2asy n TYR 65 N -3.55 0.45 -0.10 0.00 4.01 0.06 -3.43 117.16 114.59 2asy n TYR 65 Ca -0.04 0.13 0.01 0.00 -0.16 0.00 0.00 57.90 57.84 2asy n TYR 65 Cb 0.89 -0.66 0.29 0.00 -0.31 0.00 0.00 39.34 39.56 2asy n TYR 65 CO 0.00 0.00 0.00 1.37 -0.46 0.00 0.00 176.86 177.77 2asy h LEU 66 N 0.00 0.67 -1.42 7.72 8.10 -1.57 -1.79 115.31 127.02 2asy h LEU 66 Ca 0.00 -0.05 -0.06 0.00 0.11 0.00 0.00 57.88 57.88 2asy h LEU 66 Cb 0.64 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.68 2asy h LEU 66 CO 0.00 0.56 -0.29 -0.08 -4.11 0.00 0.00 178.44 174.52 2asy h GLU 67 N 0.76 0.00 0.87 0.17 4.22 -1.76 0.22 114.58 119.06 2asy h GLU 67 Ca 0.19 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.59 2asy h GLU 67 Cb 0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.31 2asy h GLU 67 CO -0.03 0.29 -0.42 -0.22 -2.18 0.00 0.00 179.01 176.45 2asy h LYS 68 N 0.00 -1.12 -0.00 1.92 1.63 -1.49 0.29 116.57 117.79 2asy h LYS 68 Ca -0.00 0.08 -0.18 0.00 -0.85 0.00 0.00 60.65 59.70 2asy h LYS 68 Cb 0.56 0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 2asy h LYS 68 CO 0.04 -0.74 -0.80 1.12 -3.45 0.00 0.00 179.45 175.61 2asy h HIS 69 N -1.21 0.16 -0.57 1.91 2.07 -1.48 -2.76 115.15 113.26 2asy h HIS 69 Ca -0.12 -0.08 -0.00 0.00 -2.85 0.00 0.00 60.37 57.31 2asy h HIS 69 Cb 0.90 -0.02 -0.03 0.00 2.57 0.00 0.00 27.41 30.83 2asy h HIS 69 CO -0.01 0.86 0.35 1.15 -3.07 0.00 0.00 177.93 177.22 2asy h THR 70 N 0.06 1.16 0.00 6.12 2.02 -0.51 -1.94 112.91 119.83 2asy h THR 70 Ca -0.02 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2asy h THR 70 Cb 1.41 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2asy h THR 70 CO 0.11 0.17 0.05 0.00 0.37 0.00 0.00 175.52 176.23 2asy n ALA 71 N -2.45 0.96 -0.10 6.16 0.00 0.10 0.58 120.51 125.76 2asy n ALA 71 Ca 0.05 0.16 -0.21 0.00 0.00 0.00 0.00 53.44 53.45 2asy n ALA 71 Cb 0.07 -1.18 -0.10 0.00 0.00 0.00 0.00 19.45 18.23 2asy n ALA 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2asy n ARG 72 N -2.13 0.56 0.11 0.00 3.00 -0.74 -4.29 116.66 113.17 2asy n ARG 72 Ca -0.01 0.54 -0.01 0.00 -0.01 0.00 0.00 57.85 58.35 2asy n ARG 72 Cb 0.08 -1.71 -0.00 0.00 0.00 0.00 0.00 32.46 30.82 2asy n ARG 72 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.63 179.00 2asy h LEU 73 N -1.00 0.00 -1.73 0.55 8.10 -0.96 -0.15 115.31 120.12 2asy h LEU 73 Ca -0.35 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.60 2asy h LEU 73 Cb 1.26 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.48 2asy h LEU 73 CO -0.21 0.69 -0.17 0.07 -4.11 0.00 0.00 178.44 174.71 2asy h LYS 74 N 0.00 0.00 0.00 0.17 2.10 -0.00 0.28 116.57 119.12 2asy h LYS 74 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2asy h LYS 74 Cb 1.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 2asy h LYS 74 CO 0.09 0.17 -0.18 -0.97 -2.00 0.00 0.00 179.45 176.56 2asy h ASN 75 N 0.00 0.00 0.00 7.07 -0.73 -1.68 -3.44 115.58 116.80 2asy h ASN 75 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2asy h ASN 75 Cb 0.39 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.98 2asy h ASN 75 CO 0.02 0.48 -0.62 0.00 -0.37 0.00 0.00 177.43 176.94 2asy n LEU 76 N -4.10 0.43 0.00 0.34 -0.00 -0.09 -4.92 117.00 108.65 2asy n LEU 76 Ca -0.03 -0.44 0.00 0.00 -0.00 0.00 0.00 56.01 55.55 2asy n LEU 76 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 2asy n LEU 76 CO 0.04 0.11 0.00 0.61 -0.00 0.00 0.00 177.39 178.14 2asy n GLY 77 N 1.33 0.49 0.00 1.47 0.00 0.74 -4.75 105.19 104.47 2asy n GLY 77 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.19 -4.40 118.33 118.87 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 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 -0.60 0.00 -3.89 1.45 1.02 -1.26 -4.83 120.64 112.53 2asy n GLU 79 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 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 1.30 0.10 3.49 2.02 -1.26 -4.04 118.70 120.31 2asy s GLU 80 Ca 0.00 -1.08 -0.25 0.00 0.02 0.00 0.00 54.97 53.66 2asy s GLU 80 Cb 0.00 0.44 -0.07 0.00 0.10 0.00 0.00 34.13 34.61 2asy s GLU 80 CO 0.00 -0.52 0.76 0.08 0.02 0.00 0.00 175.26 175.61 2asy s VAL 81 N -3.94 4.56 -0.63 2.63 1.01 -1.26 -4.60 120.40 118.16 2asy s VAL 81 Ca 0.15 1.65 -0.19 0.00 0.00 0.00 0.00 61.98 63.59 2asy s VAL 81 Cb 0.01 -4.12 0.11 0.00 0.00 0.00 0.00 36.38 32.38 2asy s VAL 81 CO 0.00 0.45 0.76 -0.69 0.00 0.00 0.00 175.10 175.62 2asy s VAL 82 N -0.61 4.80 -0.14 2.92 1.01 0.14 -4.93 120.40 123.58 2asy s VAL 82 Ca 0.37 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2asy s VAL 82 Cb -0.22 -4.53 0.02 0.00 0.00 0.00 0.00 36.38 31.66 2asy s VAL 82 CO 0.24 -1.18 -0.14 0.00 0.00 0.00 0.00 175.10 174.02 2asy s ALA 83 N 2.71 1.83 0.08 5.51 0.00 -1.24 -1.28 121.76 129.36 2asy s ALA 83 Ca 0.14 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 2asy s ALA 83 Cb -0.22 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 2asy s ALA 83 CO 0.05 -0.32 -0.03 0.15 0.00 0.00 0.00 175.76 175.60 2asy s LYS 84 N 1.39 0.72 -0.22 0.00 1.02 -0.41 -4.85 119.74 117.39 2asy s LYS 84 Ca 0.03 -1.28 -0.05 0.00 0.02 0.00 0.00 55.97 54.69 2asy s LYS 84 Cb -0.13 0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.23 2asy s LYS 84 CO -0.09 -0.09 -0.02 0.08 -0.92 0.00 0.00 175.35 174.31 2asy s VAL 85 N -3.83 3.62 0.26 3.17 1.01 -1.26 0.02 120.40 123.38 2asy s VAL 85 Ca 0.10 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.77 2asy s VAL 85 Cb 0.07 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 2asy s VAL 85 CO -0.07 0.41 -0.01 -0.36 0.00 0.00 0.00 175.10 175.07 2asy s PHE 86 N 1.43 2.70 0.16 5.22 0.40 -0.59 -5.00 117.98 122.30 2asy s PHE 86 Ca 0.05 -0.22 0.09 0.00 -0.60 0.00 0.00 56.93 56.25 2asy s PHE 86 Cb -0.14 -1.21 -0.04 0.00 0.51 0.00 0.00 43.02 42.14 2asy s PHE 86 CO -0.01 0.61 -0.19 0.34 0.70 0.00 0.00 175.22 176.67 2asy s ASP 87 N -3.59 2.70 0.07 1.36 -1.08 -1.26 -4.11 116.67 110.75 2asy s ASP 87 Ca 0.31 -0.84 -0.30 0.00 -0.52 0.00 0.00 52.55 51.20 2asy s ASP 87 Cb -0.07 -0.16 -0.05 0.00 -1.46 0.00 0.00 42.92 41.18 2asy s ASP 87 CO 0.20 -0.02 1.03 -0.69 0.52 0.00 0.00 175.17 176.20 2asy s VAL 88 N -1.92 4.47 -0.11 1.11 1.01 -1.26 -5.04 120.40 118.65 2asy s VAL 88 Ca 0.15 1.91 -0.00 0.00 0.00 0.00 0.00 61.98 64.03 2asy s VAL 88 Cb -0.06 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 2asy s VAL 88 CO 0.06 0.22 -0.09 0.21 0.00 0.00 0.00 175.10 175.51 2asy s ASN 89 N 0.51 4.37 -0.21 3.32 3.84 -1.26 -5.06 114.94 120.45 2asy s ASN 89 Ca 0.51 -0.19 -0.03 0.00 0.21 0.00 0.00 52.86 53.36 2asy s ASN 89 Cb -0.24 -1.45 -0.20 0.00 -0.55 0.00 0.00 41.25 38.80 2asy s ASN 89 CO 0.30 0.24 -0.02 -0.62 -2.79 0.00 0.00 177.10 174.20 2asy n GLU 90 N 3.07 0.68 -0.26 0.43 1.02 -1.26 -4.37 120.64 119.95 2asy n GLU 90 Ca -0.18 0.22 0.02 0.00 -0.02 0.00 0.00 57.16 57.20 2asy n GLU 90 Cb 0.53 -1.59 0.14 0.00 -0.02 0.00 0.00 31.44 30.50 2asy n GLU 90 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2asy h PRO 91 N -0.11 0.65 -0.00 3.49 0.13 -2.05 -1.94 132.00 132.17 2asy h PRO 91 Ca -0.53 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2asy h PRO 91 Cb 1.89 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.88 2asy h PRO 91 CO -0.06 0.43 -0.01 1.28 -0.23 0.00 0.00 178.00 179.40 2asy n LEU 92 N -4.82 0.06 0.07 1.56 7.99 -1.26 -2.81 117.00 117.79 2asy n LEU 92 Ca 0.12 0.16 0.09 0.00 -0.01 0.00 0.00 56.01 56.36 2asy n LEU 92 Cb 0.27 -0.18 0.38 0.00 -0.11 0.00 0.00 43.42 43.78 2asy n LEU 92 CO 0.26 0.01 0.77 -1.20 -1.51 0.00 0.00 177.39 175.72 2asy n SER 93 N -1.14 0.33 -0.13 -1.43 7.64 -0.73 -1.73 113.62 116.43 2asy n SER 93 Ca 0.18 0.60 -0.04 0.00 1.01 0.00 0.00 58.87 60.61 2asy n SER 93 Cb 0.20 -0.66 0.16 0.00 -1.01 0.00 0.00 64.21 62.90 2asy n SER 93 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2asy h GLN 94 N 0.00 0.85 -0.01 1.43 5.75 -1.69 -2.26 115.11 119.19 2asy h GLN 94 Ca 0.00 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 2asy h GLN 94 Cb 0.24 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.68 2asy h GLN 94 CO 0.00 0.80 -0.26 -0.89 -2.65 0.00 0.00 178.83 175.83 2asy n ILE 95 N -4.24 0.00 0.16 2.39 -0.00 -0.70 -3.43 119.36 113.54 2asy n ILE 95 Ca 0.03 -0.09 0.06 0.00 -0.00 0.00 0.00 62.75 62.76 2asy n ILE 95 Cb 0.26 0.23 0.07 0.00 -0.00 0.00 0.00 39.64 40.21 2asy n ILE 95 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.55 175.42 2asy h ASN 96 N 0.81 0.00 0.00 4.38 -1.24 -1.37 -3.36 115.58 114.80 2asy h ASN 96 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2asy h ASN 96 Cb 0.47 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.52 2asy h ASN 96 CO 0.00 0.30 0.00 0.00 -1.29 0.00 0.00 177.43 176.44 2asy n GLN 97 N -3.15 0.84 -0.03 6.67 6.02 -1.21 -2.67 117.38 123.85 2asy n GLN 97 Ca 0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.00 2asy n GLN 97 Cb 0.66 -1.37 -0.01 0.00 1.02 0.00 0.00 30.24 30.54 2asy n GLN 97 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2asy h ALA 98 N 1.87 0.00 -0.01 -1.58 0.00 -1.75 -3.32 119.26 114.47 2asy h ALA 98 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2asy h ALA 98 Cb 0.48 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2asy h ALA 98 CO 0.00 0.17 -0.65 1.63 0.00 0.00 0.00 179.25 180.40 2asy n LYS 99 N -3.39 0.53 -0.31 0.00 4.76 -1.24 -3.95 118.16 114.56 2asy n LYS 99 Ca -0.02 -0.41 0.11 0.00 -2.87 0.00 0.00 58.31 55.12 2asy n LYS 99 Cb 0.09 -1.49 0.28 0.00 -1.84 0.00 0.00 35.03 32.07 2asy n LYS 99 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2asy n LEU 100 N -0.88 3.72 0.00 -0.35 -0.00 -1.09 -5.21 117.00 113.19 2asy n LEU 100 Ca 0.07 -1.87 0.00 0.00 -0.00 0.00 0.00 56.01 54.21 2asy n LEU 100 Cb 0.38 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.40 2asy n LEU 100 CO 0.35 0.90 0.00 0.00 -0.00 0.00 0.00 177.39 178.64