#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 -0.89 -1.93 3.04 0.00 -1.24 -4.94 120.51 114.55 2asy n ALA 2 Ca 0.00 0.27 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 2asy n ALA 2 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 19.45 15.82 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 -3.14 3.67 -0.24 0.00 2.01 -0.55 -4.82 115.64 112.57 2asy s THR 3 Ca 0.26 1.53 -0.11 0.00 0.31 0.00 0.00 61.69 63.69 2asy s THR 3 Cb -0.11 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 2asy s THR 3 CO 0.32 0.31 0.18 -0.22 -0.69 0.00 0.00 174.62 174.52 2asy s LEU 4 N -0.82 4.11 0.07 4.42 2.96 -1.26 0.56 118.68 128.72 2asy s LEU 4 Ca 0.48 0.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.55 2asy s LEU 4 Cb -0.31 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 2asy s LEU 4 CO 0.38 0.04 -0.12 -1.48 -1.32 0.00 0.00 176.35 173.85 2asy s LEU 5 N 1.16 2.29 -0.08 -0.68 2.34 0.11 -4.00 118.68 119.82 2asy s LEU 5 Ca 0.08 -0.63 -0.24 0.00 0.06 0.00 0.00 54.13 53.40 2asy s LEU 5 Cb -0.14 -0.41 -0.03 0.00 -0.56 0.00 0.00 46.19 45.05 2asy s LEU 5 CO 0.05 -0.13 0.72 -1.10 -1.06 0.00 0.00 176.35 174.83 2asy s GLN 6 N -1.87 4.41 -0.27 1.48 -0.21 0.89 -0.30 119.66 123.79 2asy s GLN 6 Ca -0.02 0.90 -0.01 0.00 0.02 0.00 0.00 55.36 56.25 2asy s GLN 6 Cb -0.09 -3.47 0.14 0.00 1.00 0.00 0.00 33.01 30.58 2asy s GLN 6 CO 0.02 -0.01 0.33 -1.17 -2.12 0.00 0.00 175.29 172.34 2asy s LEU 7 N 1.04 -0.43 0.17 2.90 1.98 0.96 -1.85 118.68 123.46 2asy s LEU 7 Ca 0.38 -0.40 -0.17 0.00 -2.89 0.00 0.00 54.13 51.04 2asy s LEU 7 Cb -0.18 0.75 0.03 0.00 0.66 0.00 0.00 46.19 47.46 2asy s LEU 7 CO 0.17 -0.35 0.48 -1.38 -1.89 0.00 0.00 176.35 173.38 2asy s HIS 8 N 2.44 -0.17 0.30 5.38 -3.43 -0.53 -1.77 115.29 117.51 2asy s HIS 8 Ca 0.10 -0.16 -0.10 0.00 -0.80 0.00 0.00 55.06 54.10 2asy s HIS 8 Cb -0.14 0.35 0.01 0.00 -1.43 0.00 0.00 32.58 31.36 2asy s HIS 8 CO -0.26 -0.83 0.52 -0.59 -2.00 0.00 0.00 174.74 171.58 2asy s PHE 9 N -3.84 0.54 0.53 0.38 -0.12 -0.85 0.40 117.98 115.01 2asy s PHE 9 Ca 0.07 -0.91 -0.19 0.00 -0.05 0.00 0.00 56.93 55.85 2asy s PHE 9 Cb 0.00 0.20 -0.06 0.00 -0.63 0.00 0.00 43.02 42.52 2asy s PHE 9 CO -0.07 -1.12 1.06 0.00 -0.05 0.00 0.00 175.22 175.04 2asy s ALA 10 N -3.49 2.80 0.48 1.99 0.00 -1.26 0.13 121.76 122.41 2asy s ALA 10 Ca 0.24 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.76 2asy s ALA 10 Cb -0.01 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.85 2asy s ALA 10 CO 0.13 -0.54 0.71 0.12 0.00 0.00 0.00 175.76 176.18 2asy s PHE 11 N -2.11 3.22 -0.72 0.00 5.36 0.72 -4.28 117.98 120.17 2asy s PHE 11 Ca 0.67 0.30 0.00 0.00 -0.96 0.00 0.00 56.93 56.94 2asy s PHE 11 Cb -0.17 -2.39 0.00 0.00 -0.34 0.00 0.00 43.02 40.11 2asy s PHE 11 CO 0.26 -0.45 0.00 -1.71 -1.46 0.00 0.00 175.22 171.87 2asy n ASN 12 N -2.17 -3.52 -0.05 6.13 5.15 -1.26 -4.71 115.26 114.83 2asy n ASN 12 Ca 0.02 0.12 -0.04 0.00 -0.60 0.00 0.00 54.58 54.08 2asy n ASN 12 Cb 0.58 -2.00 -0.01 0.00 -0.53 0.00 0.00 39.78 37.81 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 -1.79 -0.61 3.93 8.20 0.00 -1.26 -4.87 105.19 108.79 2asy n GLY 13 Ca -0.08 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.95 2.03 0.44 1.61 0.04 -1.26 -4.66 135.00 131.25 2asy s PRO 14 Ca -0.14 -0.28 0.12 0.00 0.04 0.00 0.00 61.00 60.74 2asy s PRO 14 Cb 0.02 -2.14 0.97 0.00 0.04 0.00 0.00 34.50 33.39 2asy s PRO 14 CO 0.20 -1.37 2.02 0.74 0.04 0.00 0.00 177.00 178.63 2asy h PHE 15 N -0.71 0.19 0.00 0.56 0.04 -2.00 -3.46 116.94 111.56 2asy h PHE 15 Ca -0.44 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.32 2asy h PHE 15 Cb 1.31 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.40 2asy h PHE 15 CO 0.19 0.23 0.00 0.41 -0.60 0.00 0.00 178.31 178.54 2asy n GLY 16 N -1.21 0.70 0.21 -1.45 0.00 -1.26 -4.71 105.19 97.48 2asy n GLY 16 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 2asy n GLY 16 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2asy h ASP 17 N 1.84 0.00 -0.79 1.61 2.03 -1.97 0.72 116.42 119.86 2asy h ASP 17 Ca 0.00 0.00 0.23 0.00 -0.73 0.00 0.00 57.03 56.53 2asy h ASP 17 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 2asy h ASP 17 CO 0.00 0.29 0.60 0.00 -1.03 0.00 0.00 179.24 179.09 2asy h ALA 18 N 1.71 2.71 0.00 4.15 0.00 -1.93 0.27 119.26 126.17 2asy h ALA 18 Ca -0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 2asy h ALA 18 Cb 0.58 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2asy h ALA 18 CO 0.04 -1.01 -2.12 -1.33 0.00 0.00 0.00 179.25 174.83 2asy n MET 19 N -4.17 0.48 0.17 0.00 2.81 -0.15 -1.07 117.12 115.20 2asy n MET 19 Ca 0.16 0.12 -0.14 0.00 -1.81 0.00 0.00 57.70 56.04 2asy n MET 19 Cb 0.89 -1.37 -0.08 0.00 -0.71 0.00 0.00 33.22 31.94 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 -0.10 -0.42 0.00 3.04 0.00 -0.65 -3.26 119.26 117.87 2asy h ALA 20 Ca -0.45 -0.17 -0.31 0.00 0.00 0.00 0.00 54.91 53.98 2asy h ALA 20 Cb 1.65 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.55 2asy h ALA 20 CO -0.10 -0.60 -2.13 -1.91 0.00 0.00 0.00 179.25 174.50 2asy n GLU 21 N -5.16 0.48 0.14 0.00 4.07 0.42 -4.62 120.64 115.96 2asy n GLU 21 Ca -0.10 0.14 0.13 0.00 -0.06 0.00 0.00 57.16 57.27 2asy n GLU 21 Cb 0.25 -1.35 0.29 0.00 -0.06 0.00 0.00 31.44 30.57 2asy n GLU 21 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2asy h GLN 22 N -0.23 0.00 -0.08 5.31 1.08 -0.72 -3.21 115.11 117.26 2asy h GLN 22 Ca -0.47 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.72 2asy h GLN 22 Cb 1.61 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.04 2asy h GLN 22 CO -0.14 0.00 -0.02 1.25 -0.95 0.00 0.00 178.83 178.96 2asy h LEU 23 N 0.00 0.16 -0.78 1.46 7.12 -1.13 -2.80 115.31 119.34 2asy h LEU 23 Ca 0.00 -0.38 0.08 0.00 0.13 0.00 0.00 57.88 57.71 2asy h LEU 23 Cb 0.84 -0.04 -0.11 0.00 -0.53 0.00 0.00 40.66 40.82 2asy h LEU 23 CO 0.00 0.51 -0.55 0.11 -0.13 0.00 0.00 178.44 178.38 2asy h LYS 24 N -0.19 -0.14 0.08 1.25 1.57 -1.77 0.38 116.57 117.74 2asy h LYS 24 Ca 0.02 0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.49 2asy h LYS 24 Cb 0.44 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2asy h LYS 24 CO 0.01 -0.09 -1.75 -1.00 -0.57 0.00 0.00 179.45 176.05 2asy h PRO 25 N -0.14 0.16 -0.01 3.15 0.13 -1.76 -3.37 132.00 130.15 2asy h PRO 25 Ca 0.15 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2asy h PRO 25 Cb 0.50 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.73 2asy h PRO 25 CO -0.82 0.93 -0.33 1.28 -0.23 0.00 0.00 178.00 178.82 2asy n LEU 26 N -3.32 1.42 -0.30 1.56 4.77 -1.05 -4.51 117.00 115.57 2asy n LEU 26 Ca -0.22 -0.46 0.01 0.00 -0.03 0.00 0.00 56.01 55.32 2asy n LEU 26 Cb 1.05 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 42.12 2asy n LEU 26 CO 0.46 0.27 0.48 0.00 -1.33 0.00 0.00 177.39 177.27 2asy n ALA 27 N -0.39 0.00 0.29 -1.18 0.00 0.13 0.48 120.51 119.84 2asy n ALA 27 Ca 0.11 0.82 0.15 0.00 0.00 0.00 0.00 53.44 54.52 2asy n ALA 27 Cb 0.39 -0.41 0.89 0.00 0.00 0.00 0.00 19.45 20.32 2asy n ALA 27 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2asy h GLU 28 N 0.00 0.00 0.00 0.00 4.11 -1.84 0.30 114.58 117.15 2asy h GLU 28 Ca 0.31 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.45 2asy h GLU 28 Cb 0.51 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 2asy h GLU 28 CO -0.80 0.02 -1.89 0.43 0.07 0.00 0.00 179.01 176.84 2asy n SER 29 N -3.80 1.94 0.00 3.06 7.64 0.18 -3.69 113.62 118.95 2asy n SER 29 Ca -0.03 0.36 -0.17 0.00 1.01 0.00 0.00 58.87 60.04 2asy n SER 29 Cb 0.11 -0.81 -0.13 0.00 -1.01 0.00 0.00 64.21 62.37 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 -1.00 1.54 0.11 0.44 -0.00 -0.18 -3.34 117.51 115.08 2asy h ILE 30 Ca -0.44 -2.26 -0.32 0.00 -0.00 0.00 0.00 64.86 61.84 2asy h ILE 30 Cb 1.36 2.98 -0.01 0.00 -0.00 0.00 0.00 36.82 41.15 2asy h ILE 30 CO -0.26 0.63 -1.67 -1.13 -0.00 0.00 0.00 178.15 175.71 2asy h ASN 31 N -0.43 0.36 0.00 2.16 -1.24 -1.31 -3.48 115.58 111.65 2asy h ASN 31 Ca -0.08 -0.59 0.00 0.00 0.71 0.00 0.00 56.30 56.34 2asy h ASN 31 Cb 1.32 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 40.25 2asy h ASN 31 CO 0.10 1.50 0.00 1.67 -1.29 0.00 0.00 177.43 179.41 2asy n GLN 32 N -3.41 0.00 -2.62 6.67 7.27 0.89 -4.36 117.38 121.81 2asy n GLN 32 Ca -0.20 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.45 2asy n GLN 32 Cb 1.05 -0.59 -0.04 0.00 2.41 0.00 0.00 30.24 33.07 2asy n GLN 32 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2asy s GLU 33 N 0.00 4.60 0.00 3.69 -6.30 -1.26 -4.86 118.70 114.57 2asy s GLU 33 Ca 0.00 1.56 0.00 0.00 -2.50 0.00 0.00 54.97 54.03 2asy s GLU 33 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 34.13 30.77 2asy s GLU 33 CO 0.00 0.05 0.00 -0.35 0.02 0.00 0.00 175.26 174.98 2asy n PRO 34 N 3.09 0.00 0.00 4.30 -0.04 -1.26 -4.70 135.00 136.39 2asy n PRO 34 Ca 0.04 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2asy n PRO 34 Cb 0.48 -0.81 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 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 2.18 3.20 5.00 0.55 0.00 -1.26 -4.92 105.19 109.95 2asy n GLY 35 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.07 1.61 3.01 -1.26 -1.23 117.46 119.52 2asy n PHE 36 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 2asy n PHE 36 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 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 -7.96 4.37 -0.00 -1.90 -3.50 115.31 106.33 2asy h LEU 37 Ca 0.00 -0.05 0.08 0.00 -0.00 0.00 0.00 57.88 57.91 2asy h LEU 37 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 2asy h LEU 37 CO 0.00 0.76 0.43 -1.66 -0.00 0.00 0.00 178.44 177.98 2asy s TRP 38 N -2.12 0.07 0.31 1.13 1.48 -1.21 -5.03 118.94 113.57 2asy s TRP 38 Ca -0.13 -0.59 0.03 0.00 -1.06 0.00 0.00 56.10 54.35 2asy s TRP 38 Cb 0.02 0.76 -0.05 0.00 -1.16 0.00 0.00 33.47 33.04 2asy s TRP 38 CO 0.21 -1.21 0.11 0.15 -4.06 0.00 0.00 176.95 172.15 2asy s LYS 39 N -2.34 1.60 -0.09 3.25 1.02 -1.26 -4.37 119.74 117.55 2asy s LYS 39 Ca 0.18 -1.91 -0.05 0.00 0.02 0.00 0.00 55.97 54.21 2asy s LYS 39 Cb -0.04 -0.44 -0.04 0.00 -0.52 0.00 0.00 37.83 36.80 2asy s LYS 39 CO 0.08 -0.34 0.13 0.54 -0.92 0.00 0.00 175.35 174.84 2asy s VAL 40 N -3.51 5.32 -0.73 3.17 0.11 -1.26 -4.96 120.40 118.53 2asy s VAL 40 Ca 0.35 0.07 -0.03 0.00 -2.93 0.00 0.00 61.98 59.43 2asy s VAL 40 Cb 0.06 -3.34 0.19 0.00 -1.53 0.00 0.00 36.38 31.76 2asy s VAL 40 CO 0.15 0.56 0.58 -1.66 -3.33 0.00 0.00 175.10 171.40 2asy s TRP 41 N -1.07 3.58 -0.08 1.54 1.48 -1.26 -4.92 118.94 118.21 2asy s TRP 41 Ca 0.17 -2.76 -0.06 0.00 -1.06 0.00 0.00 56.10 52.39 2asy s TRP 41 Cb -0.12 -3.26 0.03 0.00 -1.16 0.00 0.00 33.47 28.95 2asy s TRP 41 CO 0.07 -0.82 0.21 0.99 -4.06 0.00 0.00 176.95 173.34 2asy s THR 42 N -0.47 -0.01 -0.11 0.66 2.01 -1.26 -5.01 115.64 111.45 2asy s THR 42 Ca 0.20 0.05 -0.07 0.00 0.31 0.00 0.00 61.69 62.18 2asy s THR 42 Cb -0.15 -0.31 0.04 0.00 0.01 0.00 0.00 72.50 72.09 2asy s THR 42 CO -0.07 0.02 0.26 -0.70 -0.69 0.00 0.00 174.62 173.45 2asy s GLU 43 N 0.47 0.26 -0.25 4.92 2.12 -1.26 -2.70 118.70 122.26 2asy s GLU 43 Ca -0.03 0.48 -0.04 0.00 0.36 0.00 0.00 54.97 55.74 2asy s GLU 43 Cb -0.04 0.00 0.09 0.00 0.26 0.00 0.00 34.13 34.44 2asy s GLU 43 CO -0.02 -0.11 0.11 0.45 -0.54 0.00 0.00 175.26 175.15 2asy s SER 44 N 0.78 3.20 0.19 -1.70 0.15 0.34 -4.97 113.70 111.69 2asy s SER 44 Ca -0.05 -1.10 -0.04 0.00 0.70 0.00 0.00 55.95 55.46 2asy s SER 44 Cb -0.06 -0.38 0.12 0.00 -1.71 0.00 0.00 66.02 63.98 2asy s SER 44 CO -0.05 -0.40 1.53 1.05 1.20 0.00 0.00 173.24 176.57 2asy h GLU 45 N 8.37 0.64 -0.01 5.44 4.11 -1.96 0.90 114.58 132.08 2asy h GLU 45 Ca -0.18 -0.36 -0.07 0.00 0.07 0.00 0.00 59.36 58.82 2asy h GLU 45 Cb 1.06 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2asy h GLU 45 CO 0.39 0.97 -0.35 1.57 0.07 0.00 0.00 179.01 181.66 2asy h LYS 46 N 0.51 0.02 0.00 1.06 -0.00 -1.93 -2.26 116.57 113.96 2asy h LYS 46 Ca 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.67 2asy h LYS 46 Cb 1.00 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.23 2asy h LYS 46 CO 0.09 0.36 -1.25 -1.71 -0.00 0.00 0.00 179.45 176.95 2asy n ASN 47 N -4.12 0.75 -3.52 7.07 5.15 -1.21 -4.97 115.26 114.41 2asy n ASN 47 Ca -0.02 -0.75 -0.22 0.00 -0.60 0.00 0.00 54.58 52.98 2asy n ASN 47 Cb 0.39 1.25 0.08 0.00 -0.53 0.00 0.00 39.78 40.96 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 -1.69 -2.73 -3.85 1.20 8.25 0.16 -4.94 115.22 111.63 2asy n HIS 48 Ca 0.02 0.99 -0.12 0.00 -0.26 0.00 0.00 57.72 58.35 2asy n HIS 48 Cb 0.39 -4.99 -0.10 0.00 1.12 0.00 0.00 29.99 26.41 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 -6.13 0.44 -0.05 -0.41 2.12 -0.30 -0.20 118.70 114.16 2asy s GLU 49 Ca 0.48 -0.24 -0.02 0.00 0.36 0.00 0.00 54.97 55.55 2asy s GLU 49 Cb -0.21 0.19 0.03 0.00 0.26 0.00 0.00 34.13 34.39 2asy s GLU 49 CO 0.72 -0.10 0.04 0.00 -0.54 0.00 0.00 175.26 175.37 2asy s ALA 50 N -1.05 0.40 0.00 6.30 0.00 0.12 -0.51 121.76 127.03 2asy s ALA 50 Ca -0.11 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2asy s ALA 50 Cb -0.06 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2asy s ALA 50 CO 0.01 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2asy n GLY 51 N 5.22 2.34 0.00 0.00 0.00 -1.10 -2.01 105.19 109.65 2asy n GLY 51 Ca -0.05 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.74 3.03 3.07 -0.02 0.00 -0.73 -4.79 105.19 104.01 2asy n GLY 52 Ca 0.00 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 1.65 1.07 0.28 -0.61 -1.09 -1.26 -0.03 121.20 121.21 2asy s ILE 53 Ca 0.00 -0.54 -0.14 0.00 -2.23 0.00 0.00 60.65 57.74 2asy s ILE 53 Cb 0.00 -0.92 0.01 0.00 -1.58 0.00 0.00 42.46 39.97 2asy s ILE 53 CO 0.00 0.31 0.57 -0.72 -1.23 0.00 0.00 174.94 173.87 2asy s TYR 54 N -0.02 0.28 -0.12 3.97 -0.85 0.58 -4.77 117.35 116.44 2asy s TYR 54 Ca -0.01 -0.69 -0.23 0.00 -0.52 0.00 0.00 57.07 55.62 2asy s TYR 54 Cb -0.08 0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.58 2asy s TYR 54 CO 0.01 -1.13 0.72 -0.51 -1.52 0.00 0.00 175.55 173.12 2asy s LEU 55 N -3.02 4.25 0.10 -3.49 1.02 -1.25 0.08 118.68 116.36 2asy s LEU 55 Ca 0.20 1.12 0.07 0.00 0.02 0.00 0.00 54.13 55.55 2asy s LEU 55 Cb -0.02 -3.09 -0.04 0.00 0.02 0.00 0.00 46.19 43.06 2asy s LEU 55 CO 0.10 -0.22 -0.13 0.12 0.02 0.00 0.00 176.35 176.25 2asy s PHE 56 N 1.34 2.67 -0.65 0.29 5.36 0.19 -3.36 117.98 123.82 2asy s PHE 56 Ca 0.36 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.14 2asy s PHE 56 Cb -0.17 -1.41 0.00 0.00 -0.34 0.00 0.00 43.02 41.09 2asy s PHE 56 CO 0.15 0.40 0.78 -2.37 -1.46 0.00 0.00 175.22 172.72 2asy n THR 57 N 0.82 1.16 -4.03 0.12 5.66 -0.36 -1.48 114.28 116.17 2asy n THR 57 Ca -0.14 0.47 0.04 0.00 -3.05 0.00 0.00 64.05 61.37 2asy n THR 57 Cb 0.52 -1.47 0.01 0.00 -1.55 0.00 0.00 70.33 67.84 2asy n THR 57 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2asy n ASP 58 N -1.28 -0.96 -0.13 1.09 -0.08 -1.26 -3.62 116.55 110.31 2asy n ASP 58 Ca 0.00 -1.06 -0.26 0.00 -1.51 0.00 0.00 54.79 51.96 2asy n ASP 58 Cb 0.18 1.45 -0.10 0.00 2.34 0.00 0.00 41.12 44.99 2asy n ASP 58 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2asy n GLU 59 N -0.89 0.57 0.13 -0.67 1.02 -1.26 -3.57 120.64 115.97 2asy n GLU 59 Ca 0.06 0.22 -0.01 0.00 -0.02 0.00 0.00 57.16 57.41 2asy n GLU 59 Cb 0.53 -1.45 0.19 0.00 -0.02 0.00 0.00 31.44 30.69 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 -0.74 0.05 -0.09 3.49 2.10 -2.01 -1.93 116.57 117.45 2asy h LYS 60 Ca -0.64 -0.03 -0.16 0.00 -2.00 0.00 0.00 60.65 57.82 2asy h LYS 60 Cb 1.64 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.97 2asy h LYS 60 CO -0.34 0.61 -0.62 1.03 -2.00 0.00 0.00 179.45 178.14 2asy h SER 61 N 0.04 0.37 0.53 7.07 0.87 -1.96 -3.15 113.55 117.33 2asy h SER 61 Ca -0.01 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.32 2asy h SER 61 Cb 1.03 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 2asy h SER 61 CO 0.08 0.90 -0.34 0.00 -0.53 0.00 0.00 176.83 176.94 2asy h ALA 62 N 1.10 -0.84 0.00 6.23 0.00 -1.40 0.17 119.26 124.52 2asy h ALA 62 Ca -0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2asy h ALA 62 Cb 1.14 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2asy h ALA 62 CO 0.10 -0.99 -0.33 1.37 0.00 0.00 0.00 179.25 179.41 2asy h LEU 63 N -0.83 0.00 -0.58 0.00 -0.00 -1.63 -2.32 115.31 109.96 2asy h LEU 63 Ca -0.06 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.66 2asy h LEU 63 Cb 0.68 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.33 2asy h LEU 63 CO 0.06 0.33 -0.55 0.00 -0.00 0.00 0.00 178.44 178.28 2asy h ALA 64 N 1.67 0.76 0.00 0.17 0.00 -1.42 -3.03 119.26 117.41 2asy h ALA 64 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2asy h ALA 64 Cb 0.83 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2asy h ALA 64 CO 0.04 0.69 0.00 0.66 0.00 0.00 0.00 179.25 180.64 2asy n TYR 65 N -3.95 0.00 -0.21 0.00 4.02 0.57 -3.37 117.16 114.23 2asy n TYR 65 Ca -0.03 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.90 2asy n TYR 65 Cb 0.60 -0.43 0.30 0.00 -0.02 0.00 0.00 39.34 39.78 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 0.77 -1.80 7.72 8.10 -1.33 -0.23 115.31 128.54 2asy h LEU 66 Ca 0.00 -0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.95 2asy h LEU 66 Cb 0.42 -0.17 -0.00 0.00 -0.44 0.00 0.00 40.66 40.46 2asy h LEU 66 CO 0.00 0.52 -0.15 -0.08 -4.11 0.00 0.00 178.44 174.62 2asy h GLU 67 N 0.89 0.00 -0.27 0.17 4.57 -1.76 0.23 114.58 118.41 2asy h GLU 67 Ca 0.31 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.47 2asy h GLU 67 Cb 0.11 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2asy h GLU 67 CO -0.10 0.15 0.08 -0.22 -1.18 0.00 0.00 179.01 177.75 2asy h LYS 68 N 0.00 0.42 0.01 1.92 1.63 -1.22 0.33 116.57 119.66 2asy h LYS 68 Ca -0.00 -0.09 -0.04 0.00 -0.85 0.00 0.00 60.65 59.66 2asy h LYS 68 Cb 0.37 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 2asy h LYS 68 CO 0.02 0.49 -0.17 0.45 -3.45 0.00 0.00 179.45 176.79 2asy h HIS 69 N 0.28 0.16 -0.98 1.91 3.86 -1.38 -3.33 115.15 115.66 2asy h HIS 69 Ca 0.09 -0.09 0.10 0.00 -1.16 0.00 0.00 60.37 59.30 2asy h HIS 69 Cb 0.24 -0.02 -0.07 0.00 1.06 0.00 0.00 27.41 28.62 2asy h HIS 69 CO 0.00 0.93 0.63 1.15 0.86 0.00 0.00 177.93 181.50 2asy h THR 70 N -0.66 0.99 0.00 2.45 2.02 -0.48 -1.60 112.91 115.63 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 0.98 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2asy h THR 70 CO 0.03 0.19 0.13 0.00 0.37 0.00 0.00 175.52 176.24 2asy h ALA 71 N 1.52 1.09 0.00 6.16 0.00 -0.44 0.60 119.26 128.19 2asy h ALA 71 Ca 0.46 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.15 2asy h ALA 71 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2asy h ALA 71 CO -0.22 -0.09 -1.34 0.54 0.00 0.00 0.00 179.25 178.14 2asy n ARG 72 N -2.26 0.55 0.15 0.00 3.00 -0.61 -4.27 116.66 113.23 2asy n ARG 72 Ca -0.01 0.50 0.03 0.00 -0.01 0.00 0.00 57.85 58.36 2asy n ARG 72 Cb 0.16 -1.68 0.12 0.00 0.00 0.00 0.00 32.46 31.06 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 -1.50 0.55 8.10 -1.05 0.92 115.31 121.33 2asy h LEU 73 Ca -0.33 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.63 2asy h LEU 73 Cb 1.20 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.41 2asy h LEU 73 CO -0.20 0.47 0.06 0.07 -4.11 0.00 0.00 178.44 174.73 2asy h LYS 74 N 0.00 0.39 0.00 0.17 2.10 0.02 0.30 116.57 119.55 2asy h LYS 74 Ca -0.00 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.53 2asy h LYS 74 Cb 1.25 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 2asy h LYS 74 CO 0.06 0.37 -0.46 -0.91 -2.00 0.00 0.00 179.45 176.51 2asy h ASN 75 N 0.39 0.00 0.00 7.07 4.21 -1.64 -3.43 115.58 122.18 2asy h ASN 75 Ca 0.09 -0.38 0.00 0.00 1.21 0.00 0.00 56.30 57.23 2asy h ASN 75 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 2asy h ASN 75 CO -0.00 0.95 -0.90 0.00 -1.29 0.00 0.00 177.43 176.18 2asy n LEU 76 N -4.61 0.26 0.00 1.61 -0.00 0.28 -4.96 117.00 109.59 2asy n LEU 76 Ca -0.13 -0.28 0.00 0.00 -0.00 0.00 0.00 56.01 55.60 2asy n LEU 76 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 2asy n LEU 76 CO 0.16 0.07 0.00 0.61 -0.00 0.00 0.00 177.39 178.22 2asy n GLY 77 N 1.54 0.46 0.00 1.47 0.00 0.84 -4.76 105.19 104.73 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 0.11 -4.58 118.33 118.61 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 -0.02 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 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 -0.88 0.00 -3.53 1.45 1.02 -1.26 -4.85 120.64 112.59 2asy n GLU 79 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2asy n GLU 79 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 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 1.14 0.15 3.49 2.02 -1.26 -3.95 118.70 120.29 2asy s GLU 80 Ca 0.00 -0.48 -0.30 0.00 0.02 0.00 0.00 54.97 54.21 2asy s GLU 80 Cb 0.00 0.52 -0.07 0.00 0.10 0.00 0.00 34.13 34.68 2asy s GLU 80 CO 0.00 -0.46 1.04 0.08 0.02 0.00 0.00 175.26 175.94 2asy s VAL 81 N -3.41 4.12 -0.48 2.63 1.01 -1.26 -4.65 120.40 118.36 2asy s VAL 81 Ca -0.00 1.81 -0.19 0.00 0.00 0.00 0.00 61.98 63.60 2asy s VAL 81 Cb 0.00 -4.15 0.05 0.00 0.00 0.00 0.00 36.38 32.28 2asy s VAL 81 CO -0.10 0.30 0.57 -0.69 0.00 0.00 0.00 175.10 175.19 2asy s VAL 82 N -0.17 4.94 -0.12 2.92 1.01 0.16 -4.93 120.40 124.21 2asy s VAL 82 Ca 0.48 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.04 2asy s VAL 82 Cb -0.27 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 31.91 2asy s VAL 82 CO 0.33 -0.68 -0.14 0.00 0.00 0.00 0.00 175.10 174.61 2asy s ALA 83 N 2.47 1.65 0.01 5.51 0.00 -1.25 -1.45 121.76 128.71 2asy s ALA 83 Ca 0.15 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 2asy s ALA 83 Cb -0.18 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 2asy s ALA 83 CO 0.13 -0.18 0.01 0.15 0.00 0.00 0.00 175.76 175.86 2asy s LYS 84 N 1.18 0.19 -0.36 0.00 1.02 -0.77 -4.82 119.74 116.18 2asy s LYS 84 Ca -0.03 -0.30 -0.05 0.00 0.02 0.00 0.00 55.97 55.61 2asy s LYS 84 Cb -0.14 0.07 0.06 0.00 -0.52 0.00 0.00 37.83 37.30 2asy s LYS 84 CO -0.04 -0.03 0.12 0.08 -0.92 0.00 0.00 175.35 174.56 2asy s VAL 85 N -0.77 3.59 0.70 3.17 1.01 -1.26 -0.07 120.40 126.76 2asy s VAL 85 Ca -0.09 -1.39 -0.04 0.00 0.00 0.00 0.00 61.98 60.46 2asy s VAL 85 Cb -0.05 -3.14 0.09 0.00 0.00 0.00 0.00 36.38 33.27 2asy s VAL 85 CO -0.00 -0.31 0.98 0.72 0.00 0.00 0.00 175.10 176.49 2asy s PHE 86 N 1.33 2.38 0.35 5.22 -0.12 -1.26 -5.03 117.98 120.84 2asy s PHE 86 Ca 0.00 0.10 0.04 0.00 -0.05 0.00 0.00 56.93 57.02 2asy s PHE 86 Cb -0.21 -3.12 -0.03 0.00 -0.63 0.00 0.00 43.02 39.03 2asy s PHE 86 CO 0.01 -1.49 0.17 0.34 -0.05 0.00 0.00 175.22 174.20 2asy s ASP 87 N -4.60 2.02 0.19 1.98 2.15 -1.26 -4.81 116.67 112.34 2asy s ASP 87 Ca 0.63 -1.64 -0.12 0.00 0.43 0.00 0.00 52.55 51.85 2asy s ASP 87 Cb -0.08 0.46 -0.07 0.00 -0.30 0.00 0.00 42.92 42.92 2asy s ASP 87 CO 0.44 -0.93 0.55 0.54 -0.17 0.00 0.00 175.17 175.60 2asy s VAL 88 N -3.43 4.89 -0.04 1.11 0.11 -1.26 -5.08 120.40 116.71 2asy s VAL 88 Ca 0.33 0.65 0.04 0.00 -2.93 0.00 0.00 61.98 60.06 2asy s VAL 88 Cb 0.04 -3.67 -0.00 0.00 -1.53 0.00 0.00 36.38 31.21 2asy s VAL 88 CO 0.19 0.07 -0.16 0.21 -3.33 0.00 0.00 175.10 172.08 2asy s ASN 89 N -2.05 1.95 -0.24 3.54 3.84 -1.26 -5.08 114.94 115.63 2asy s ASN 89 Ca 0.43 -0.31 -0.18 0.00 0.21 0.00 0.00 52.86 53.01 2asy s ASN 89 Cb -0.13 -0.50 -0.16 0.00 -0.55 0.00 0.00 41.25 39.91 2asy s ASN 89 CO 0.20 0.14 -0.04 -0.62 -2.79 0.00 0.00 177.10 173.99 2asy n GLU 90 N 3.12 0.58 -0.24 0.43 1.02 -1.26 -4.56 120.64 119.72 2asy n GLU 90 Ca -0.18 0.43 0.05 0.00 -0.02 0.00 0.00 57.16 57.44 2asy n GLU 90 Cb 0.53 -1.63 0.17 0.00 -0.02 0.00 0.00 31.44 30.49 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 -0.97 0.25 0.00 3.49 0.13 -2.04 -1.34 132.00 131.52 2asy h PRO 91 Ca -0.51 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2asy h PRO 91 Cb 1.47 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2asy h PRO 91 CO -0.30 0.17 0.00 1.28 -0.23 0.00 0.00 178.00 178.92 2asy n LEU 92 N -5.16 0.00 0.27 1.56 4.77 -1.26 -2.49 117.00 114.69 2asy n LEU 92 Ca 0.13 0.34 0.16 0.00 -0.03 0.00 0.00 56.01 56.61 2asy n LEU 92 Cb 0.44 -0.34 0.73 0.00 -2.33 0.00 0.00 43.42 41.92 2asy n LEU 92 CO 0.13 -0.15 0.98 -1.28 -1.33 0.00 0.00 177.39 175.74 2asy h SER 93 N 0.00 0.00 0.97 -1.43 0.87 -1.48 -2.14 113.55 110.34 2asy h SER 93 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2asy h SER 93 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2asy h SER 93 CO 0.00 0.07 0.00 0.00 -0.53 0.00 0.00 176.83 176.37 2asy n GLN 94 N -3.26 0.06 -0.13 2.24 6.02 -1.04 -1.97 117.38 119.30 2asy n GLN 94 Ca -0.01 0.11 0.06 0.00 -0.01 0.00 0.00 57.00 57.16 2asy n GLN 94 Cb 0.28 -1.58 0.13 0.00 1.02 0.00 0.00 30.24 30.09 2asy n GLN 94 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2asy n ILE 95 N -1.69 0.73 0.20 5.09 -0.00 -0.81 -4.39 119.36 118.49 2asy n ILE 95 Ca 0.06 -0.87 0.09 0.00 -0.00 0.00 0.00 62.75 62.03 2asy n ILE 95 Cb 0.32 0.70 -0.13 0.00 -0.00 0.00 0.00 39.64 40.52 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 0.56 0.88 -1.67 4.38 2.85 -0.83 -4.66 115.26 116.77 2asy n ASN 96 Ca 0.10 -0.23 -0.06 0.00 -0.11 0.00 0.00 54.58 54.29 2asy n ASN 96 Cb 0.39 1.61 -0.02 0.00 1.24 0.00 0.00 39.78 43.01 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 -1.94 1.32 0.00 1.20 10.64 -1.19 -3.95 117.38 123.45 2asy n GLN 97 Ca -0.02 -0.50 0.00 0.00 -1.83 0.00 0.00 57.00 54.66 2asy n GLN 97 Cb 0.42 -1.28 0.00 0.00 -0.86 0.00 0.00 30.24 28.52 2asy n GLN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2asy n ALA 98 N 1.38 0.00 0.32 2.61 0.00 -1.26 -4.28 120.51 119.28 2asy n ALA 98 Ca 0.13 -0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2asy n ALA 98 Cb 0.57 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.45 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 0.00 0.00 -0.14 0.00 1.79 -1.97 -2.61 116.57 113.64 2asy h LYS 99 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2asy h LYS 99 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2asy h LYS 99 CO 0.00 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.65 2asy n LEU 100 N -2.87 1.09 0.00 2.94 7.99 -1.25 -5.25 117.00 119.64 2asy n LEU 100 Ca 0.03 -0.49 0.00 0.00 -0.01 0.00 0.00 56.01 55.54 2asy n LEU 100 Cb 0.40 -0.09 0.00 0.00 -0.11 0.00 0.00 43.42 43.62 2asy n LEU 100 CO 0.29 0.24 0.08 0.00 -1.51 0.00 0.00 177.39 176.49