#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 -0.46 -1.92 -5.12 0.00 -1.25 -4.98 120.51 106.78 2asy n ALA 2 Ca 0.00 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 2asy n ALA 2 Cb 0.00 -1.90 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 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 -2.74 2.77 -0.26 0.00 2.01 -0.87 -4.80 115.64 111.74 2asy s THR 3 Ca 0.06 0.62 -0.12 0.00 0.31 0.00 0.00 61.69 62.55 2asy s THR 3 Cb -0.03 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 2asy s THR 3 CO 0.07 0.09 0.24 -0.22 -0.69 0.00 0.00 174.62 174.11 2asy s LEU 4 N 0.02 4.05 0.07 4.42 2.96 -1.26 0.24 118.68 129.18 2asy s LEU 4 Ca 0.61 0.13 0.07 0.00 -0.22 0.00 0.00 54.13 54.72 2asy s LEU 4 Cb -0.41 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 2asy s LEU 4 CO 0.40 -0.06 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.96 2asy s LEU 5 N 1.65 2.24 -0.24 -0.68 0.20 0.78 -4.12 118.68 118.51 2asy s LEU 5 Ca 0.10 -0.59 -0.21 0.00 0.69 0.00 0.00 54.13 54.12 2asy s LEU 5 Cb -0.15 -0.84 -0.02 0.00 -0.43 0.00 0.00 46.19 44.75 2asy s LEU 5 CO 0.09 0.07 0.64 -1.10 -0.29 0.00 0.00 176.35 175.77 2asy s GLN 6 N -1.55 4.14 -0.26 1.98 -0.21 0.38 -0.64 119.66 123.50 2asy s GLN 6 Ca 0.05 0.60 -0.03 0.00 0.02 0.00 0.00 55.36 56.00 2asy s GLN 6 Cb -0.09 -3.63 0.11 0.00 1.00 0.00 0.00 33.01 30.39 2asy s GLN 6 CO 0.03 -0.38 0.21 -1.17 -2.12 0.00 0.00 175.29 171.86 2asy s LEU 7 N 2.39 0.05 0.13 2.90 0.20 0.52 -1.04 118.68 123.83 2asy s LEU 7 Ca 0.27 -0.76 -0.12 0.00 0.69 0.00 0.00 54.13 54.22 2asy s LEU 7 Cb -0.16 0.18 0.01 0.00 -0.43 0.00 0.00 46.19 45.80 2asy s LEU 7 CO 0.09 -0.38 0.30 -1.38 -0.29 0.00 0.00 176.35 174.69 2asy s HIS 8 N 2.26 0.09 0.30 5.38 -3.43 -0.63 -1.77 115.29 117.48 2asy s HIS 8 Ca 0.08 -0.46 -0.03 0.00 -0.80 0.00 0.00 55.06 53.85 2asy s HIS 8 Cb -0.15 0.07 -0.01 0.00 -1.43 0.00 0.00 32.58 31.06 2asy s HIS 8 CO -0.27 -0.67 0.38 -0.59 -2.00 0.00 0.00 174.74 171.60 2asy s PHE 9 N -3.87 1.05 0.58 0.38 -0.71 -0.04 0.18 117.98 115.55 2asy s PHE 9 Ca 0.08 -1.26 -0.15 0.00 -1.04 0.00 0.00 56.93 54.56 2asy s PHE 9 Cb 0.03 -0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 2asy s PHE 9 CO -0.08 -0.98 1.04 0.00 -1.34 0.00 0.00 175.22 173.86 2asy s ALA 10 N -3.50 2.82 0.73 1.99 0.00 -1.26 0.43 121.76 122.97 2asy s ALA 10 Ca 0.32 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 2asy s ALA 10 Cb 0.01 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.96 2asy s ALA 10 CO 0.18 -0.71 1.09 0.12 0.00 0.00 0.00 175.76 176.44 2asy s PHE 11 N -2.56 3.18 -0.60 0.00 5.36 -0.08 -3.74 117.98 119.53 2asy s PHE 11 Ca 0.62 1.11 0.00 0.00 -0.96 0.00 0.00 56.93 57.70 2asy s PHE 11 Cb -0.14 -3.06 0.00 0.00 -0.34 0.00 0.00 43.02 39.48 2asy s PHE 11 CO 0.38 -1.34 0.00 -1.71 -1.46 0.00 0.00 175.22 171.09 2asy n ASN 12 N -3.13 -3.23 -0.02 6.13 5.15 -1.26 -4.82 115.26 114.08 2asy n ASN 12 Ca 0.07 0.09 -0.02 0.00 -0.60 0.00 0.00 54.58 54.12 2asy n ASN 12 Cb 0.56 -1.78 -0.01 0.00 -0.53 0.00 0.00 39.78 38.03 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 -1.77 -0.56 3.91 8.20 0.00 -1.25 -4.20 105.19 109.53 2asy n GLY 13 Ca -0.07 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.35 2.70 0.52 1.61 0.04 -1.26 -3.86 135.00 133.39 2asy s PRO 14 Ca -0.05 0.07 0.28 0.00 0.04 0.00 0.00 61.00 61.34 2asy s PRO 14 Cb 0.01 -2.17 1.43 0.00 0.04 0.00 0.00 34.50 33.81 2asy s PRO 14 CO 0.07 -0.95 2.05 0.74 0.04 0.00 0.00 177.00 178.95 2asy h PHE 15 N -0.44 0.00 0.00 0.56 0.04 -1.98 -3.47 116.94 111.65 2asy h PHE 15 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 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 0.44 0.12 0.00 0.41 -0.60 0.00 0.00 178.31 178.68 2asy n GLY 16 N -0.56 3.38 0.40 -1.45 0.00 -1.26 -4.80 105.19 100.90 2asy n GLY 16 Ca -0.01 -0.64 0.21 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 0.13 -0.36 1.61 3.32 -1.98 0.11 116.42 119.25 2asy h ASP 17 Ca 0.00 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.16 2asy h ASP 17 Cb 0.00 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2asy h ASP 17 CO 0.00 0.06 0.52 0.00 -1.72 0.00 0.00 179.24 178.10 2asy h ALA 18 N 1.66 2.01 0.00 3.45 0.00 -1.91 0.47 119.26 124.93 2asy h ALA 18 Ca 0.34 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.89 2asy h ALA 18 Cb 1.15 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 2asy h ALA 18 CO -0.05 -0.71 -2.14 -1.33 0.00 0.00 0.00 179.25 175.03 2asy n MET 19 N -3.41 0.53 0.09 0.00 2.81 0.38 -1.36 117.12 116.15 2asy n MET 19 Ca 0.06 0.23 -0.12 0.00 -1.81 0.00 0.00 57.70 56.06 2asy n MET 19 Cb 0.67 -1.39 -0.05 0.00 -0.71 0.00 0.00 33.22 31.74 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 -0.91 -0.27 0.00 3.04 0.00 -1.28 -3.29 119.26 116.55 2asy h ALA 20 Ca -0.53 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2asy h ALA 20 Cb 1.44 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 2asy h ALA 20 CO -0.32 -0.69 -1.06 0.39 0.00 0.00 0.00 179.25 177.57 2asy n GLU 21 N -5.31 0.36 0.00 0.00 -0.58 0.66 -4.74 120.64 111.03 2asy n GLU 21 Ca -0.06 0.01 0.15 0.00 -0.42 0.00 0.00 57.16 56.83 2asy n GLU 21 Cb 0.22 -1.02 0.68 0.00 -0.57 0.00 0.00 31.44 30.75 2asy n GLU 21 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2asy n GLN 22 N -2.49 1.32 0.10 3.49 1.13 0.13 -3.06 117.38 118.01 2asy n GLN 22 Ca -0.02 -0.55 -0.17 0.00 -1.94 0.00 0.00 57.00 54.32 2asy n GLN 22 Cb 0.52 -1.49 -0.14 0.00 0.11 0.00 0.00 30.24 29.24 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 1.34 0.48 -0.59 1.08 5.85 -1.28 -2.68 115.31 119.50 2asy h LEU 23 Ca 0.00 -0.55 0.08 0.00 0.84 0.00 0.00 57.88 58.25 2asy h LEU 23 Cb 0.31 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 2asy h LEU 23 CO 0.00 1.44 0.26 0.50 -0.34 0.00 0.00 178.44 180.29 2asy h LYS 24 N 0.08 0.46 0.00 1.25 3.64 -1.76 0.26 116.57 120.50 2asy h LYS 24 Ca -0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2asy h LYS 24 Cb 2.01 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 2asy h LYS 24 CO 0.20 0.30 -1.75 -0.35 -2.27 0.00 0.00 179.45 175.59 2asy n PRO 25 N -4.93 0.56 -0.01 1.90 -0.04 -1.26 -4.67 135.00 126.55 2asy n PRO 25 Ca 0.07 -0.14 0.04 0.00 -0.04 0.00 0.00 63.50 63.43 2asy n PRO 25 Cb 0.22 -1.55 0.03 0.00 -0.04 0.00 0.00 33.50 32.17 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 -2.19 1.66 -0.24 1.53 4.77 -1.01 -4.75 117.00 116.76 2asy n LEU 26 Ca -0.02 -1.04 0.05 0.00 -0.03 0.00 0.00 56.01 54.96 2asy n LEU 26 Cb 0.53 -0.01 0.17 0.00 -2.33 0.00 0.00 43.42 41.79 2asy n LEU 26 CO 0.45 0.34 0.94 0.00 -1.33 0.00 0.00 177.39 177.79 2asy h ALA 27 N 1.44 0.93 0.00 -1.18 0.00 -0.62 0.48 119.26 120.31 2asy h ALA 27 Ca 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2asy h ALA 27 Cb 0.32 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2asy h ALA 27 CO 0.00 -0.32 -0.02 1.05 0.00 0.00 0.00 179.25 179.96 2asy h GLU 28 N 0.29 0.00 0.00 0.00 4.11 -1.83 0.46 114.58 117.61 2asy h GLU 28 Ca 0.40 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.52 2asy h GLU 28 Cb 0.66 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 2asy h GLU 28 CO -0.48 0.02 -1.93 0.43 0.07 0.00 0.00 179.01 177.11 2asy n SER 29 N -3.19 1.93 -0.03 3.06 7.64 0.94 -3.95 113.62 120.02 2asy n SER 29 Ca -0.02 0.36 -0.18 0.00 1.01 0.00 0.00 58.87 60.04 2asy n SER 29 Cb 0.18 -0.82 -0.13 0.00 -1.01 0.00 0.00 64.21 62.42 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 1.42 0.08 0.44 -0.00 -0.22 -3.35 117.51 114.88 2asy h ILE 30 Ca -0.47 -2.38 -0.27 0.00 -0.00 0.00 0.00 64.86 61.74 2asy h ILE 30 Cb 1.38 3.01 -0.02 0.00 -0.00 0.00 0.00 36.82 41.19 2asy h ILE 30 CO -0.28 0.61 -1.37 -1.13 -0.00 0.00 0.00 178.15 175.97 2asy h ASN 31 N -0.70 0.25 -3.17 2.16 -1.24 -1.31 -3.48 115.58 108.09 2asy h ASN 31 Ca -0.16 -0.32 -0.35 0.00 0.71 0.00 0.00 56.30 56.18 2asy h ASN 31 Cb 1.37 -0.08 0.02 0.00 0.73 0.00 0.00 38.32 40.36 2asy h ASN 31 CO 0.01 1.27 -0.48 1.67 -1.29 0.00 0.00 177.43 178.61 2asy n GLN 32 N -3.39 -2.78 -4.87 6.67 -0.06 0.15 -4.26 117.38 108.83 2asy n GLN 32 Ca -0.11 0.81 -0.31 0.00 -2.00 0.00 0.00 57.00 55.39 2asy n GLN 32 Cb 1.02 -5.33 -0.14 0.00 -4.06 0.00 0.00 30.24 21.73 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 -5.20 2.15 -0.08 3.69 4.04 -1.25 -4.99 118.70 117.06 2asy s GLU 33 Ca 0.13 -0.92 -0.24 0.00 0.04 0.00 0.00 54.97 53.99 2asy s GLU 33 Cb -0.06 -2.18 -0.20 0.00 0.02 0.00 0.00 34.13 31.71 2asy s GLU 33 CO 0.16 0.56 0.84 -1.00 -1.84 0.00 0.00 175.26 173.98 2asy h PRO 34 N 4.95 -0.06 0.00 -4.83 0.13 -1.94 -3.39 132.00 126.85 2asy h PRO 34 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2asy h PRO 34 Cb 1.15 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2asy h PRO 34 CO 0.48 0.58 0.00 0.41 -0.23 0.00 0.00 178.00 179.23 2asy n GLY 35 N 1.03 2.16 5.00 1.56 0.00 -1.26 -4.83 105.19 108.85 2asy n GLY 35 Ca -0.08 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.71 117.46 119.03 2asy n PHE 36 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 2asy n PHE 36 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 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 -1.88 -3.50 115.31 114.30 2asy h LEU 37 Ca 0.00 -0.33 -0.04 0.00 -0.00 0.00 0.00 57.88 57.51 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 0.92 0.19 -2.67 -0.00 0.00 0.00 178.44 176.88 2asy n TRP 38 N -4.61 -1.99 -4.43 1.13 4.27 -1.22 -5.03 117.44 105.56 2asy n TRP 38 Ca -0.12 -1.47 -0.28 0.00 -3.89 0.00 0.00 57.50 51.75 2asy n TRP 38 Cb 0.34 0.69 -0.09 0.00 -1.36 0.00 0.00 31.31 30.90 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 -2.12 2.11 -0.27 -2.67 2.47 -1.26 -4.62 119.74 113.38 2asy s LYS 39 Ca 0.13 -2.06 -0.20 0.00 -1.56 0.00 0.00 55.97 52.28 2asy s LYS 39 Cb -0.04 -1.77 -0.02 0.00 -1.46 0.00 0.00 37.83 34.55 2asy s LYS 39 CO 0.10 -0.15 0.61 0.54 0.16 0.00 0.00 175.35 176.61 2asy s VAL 40 N -2.70 4.98 -0.76 4.02 0.11 -1.26 -4.87 120.40 119.92 2asy s VAL 40 Ca 0.32 1.03 0.03 0.00 -2.93 0.00 0.00 61.98 60.43 2asy s VAL 40 Cb 0.06 -3.93 0.24 0.00 -1.53 0.00 0.00 36.38 31.21 2asy s VAL 40 CO 0.17 -0.01 0.81 -2.67 -3.33 0.00 0.00 175.10 170.08 2asy n TRP 41 N 5.73 3.49 -3.79 1.54 4.27 -1.26 -4.98 117.44 122.43 2asy n TRP 41 Ca -0.01 -3.96 -0.13 0.00 -3.89 0.00 0.00 57.50 49.51 2asy n TRP 41 Cb 0.49 -0.77 -0.09 0.00 -1.36 0.00 0.00 31.31 29.58 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 -2.15 0.06 -0.29 -1.67 2.01 -1.26 -4.94 115.64 107.39 2asy s THR 42 Ca 0.34 -0.52 -0.14 0.00 0.31 0.00 0.00 61.69 61.68 2asy s THR 42 Cb 0.06 -0.55 0.13 0.00 0.01 0.00 0.00 72.50 72.16 2asy s THR 42 CO -0.05 -0.28 0.83 -0.70 -0.69 0.00 0.00 174.62 173.73 2asy s GLU 43 N -1.28 0.48 -0.44 4.92 2.12 -1.26 -3.64 118.70 119.60 2asy s GLU 43 Ca -0.13 1.03 0.02 0.00 0.36 0.00 0.00 54.97 56.26 2asy s GLU 43 Cb -0.06 0.44 0.15 0.00 0.26 0.00 0.00 34.13 34.93 2asy s GLU 43 CO 0.03 -0.14 0.29 -1.12 -0.54 0.00 0.00 175.26 173.79 2asy s SER 44 N 2.21 3.01 0.23 -1.70 0.01 -0.44 -4.94 113.70 112.08 2asy s SER 44 Ca -0.06 -2.78 -0.04 0.00 1.31 0.00 0.00 55.95 54.38 2asy s SER 44 Cb -0.07 -0.78 0.23 0.00 0.21 0.00 0.00 66.02 65.60 2asy s SER 44 CO -0.18 -0.23 1.67 1.05 0.41 0.00 0.00 173.24 175.96 2asy h GLU 45 N 6.35 0.77 -0.73 12.44 -0.00 -1.96 0.20 114.58 131.64 2asy h GLU 45 Ca 0.10 -0.28 0.03 0.00 -0.00 0.00 0.00 59.36 59.22 2asy h GLU 45 Cb 0.91 -0.05 -0.04 0.00 -0.00 0.00 0.00 28.75 29.57 2asy h GLU 45 CO 0.43 0.89 0.48 1.57 -0.00 0.00 0.00 179.01 182.38 2asy h LYS 46 N 0.69 0.86 0.00 1.06 -0.00 -1.92 -2.50 116.57 114.76 2asy h LYS 46 Ca 0.11 -0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.70 2asy h LYS 46 Cb 0.66 -0.19 0.00 0.00 -0.00 0.00 0.00 32.23 32.69 2asy h LYS 46 CO 0.05 0.57 -1.01 -1.71 -0.00 0.00 0.00 179.45 177.35 2asy n ASN 47 N -4.45 0.72 -2.72 7.07 5.15 -0.98 -4.95 115.26 115.09 2asy n ASN 47 Ca 0.09 0.18 -0.18 0.00 -0.60 0.00 0.00 54.58 54.08 2asy n ASN 47 Cb 0.12 0.56 0.05 0.00 -0.53 0.00 0.00 39.78 39.99 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 -2.43 -2.05 -3.77 1.20 8.25 0.62 -4.97 115.22 112.07 2asy n HIS 48 Ca 0.01 0.70 -0.13 0.00 -0.26 0.00 0.00 57.72 58.04 2asy n HIS 48 Cb 0.51 -3.93 -0.09 0.00 1.12 0.00 0.00 29.99 27.60 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 -5.89 0.68 -0.10 -0.41 2.12 -0.70 -0.91 118.70 113.49 2asy s GLU 49 Ca 0.41 -0.28 -0.05 0.00 0.36 0.00 0.00 54.97 55.41 2asy s GLU 49 Cb -0.18 0.30 0.05 0.00 0.26 0.00 0.00 34.13 34.55 2asy s GLU 49 CO 0.50 -0.19 0.23 0.00 -0.54 0.00 0.00 175.26 175.26 2asy s ALA 50 N -1.58 -0.49 0.00 6.30 0.00 0.17 -1.33 121.76 124.83 2asy s ALA 50 Ca -0.12 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2asy s ALA 50 Cb -0.05 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2asy s ALA 50 CO 0.03 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.96 2asy n GLY 51 N 4.35 3.09 0.00 0.00 0.00 -1.24 -0.86 105.19 110.53 2asy n GLY 51 Ca -0.24 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.39 4.56 2.98 -0.02 0.00 -0.73 -4.72 105.19 105.87 2asy n GLY 52 Ca 0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 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 2.09 0.95 0.25 -0.61 -1.09 -1.26 -0.35 121.20 121.18 2asy s ILE 53 Ca 0.00 -0.37 -0.10 0.00 -2.23 0.00 0.00 60.65 57.95 2asy s ILE 53 Cb 0.00 -0.90 -0.01 0.00 -1.58 0.00 0.00 42.46 39.97 2asy s ILE 53 CO 0.00 0.32 0.42 -0.72 -1.23 0.00 0.00 174.94 173.72 2asy s TYR 54 N 0.76 0.57 -0.07 3.97 1.13 0.18 -4.92 117.35 118.97 2asy s TYR 54 Ca -0.13 -0.90 -0.24 0.00 -1.41 0.00 0.00 57.07 54.39 2asy s TYR 54 Cb -0.15 0.03 -0.03 0.00 -1.10 0.00 0.00 41.96 40.70 2asy s TYR 54 CO 0.02 -0.95 0.73 -0.51 -2.51 0.00 0.00 175.55 172.34 2asy s LEU 55 N -3.06 4.31 0.10 -3.49 1.02 -1.25 -0.15 118.68 116.14 2asy s LEU 55 Ca 0.26 1.21 0.08 0.00 0.02 0.00 0.00 54.13 55.71 2asy s LEU 55 Cb 0.01 -3.12 -0.04 0.00 0.02 0.00 0.00 46.19 43.06 2asy s LEU 55 CO 0.11 -0.15 -0.17 0.12 0.02 0.00 0.00 176.35 176.28 2asy s PHE 56 N 0.94 2.57 0.59 0.29 5.36 0.14 -3.41 117.98 124.45 2asy s PHE 56 Ca 0.38 -0.24 0.34 0.00 -0.96 0.00 0.00 56.93 56.45 2asy s PHE 56 Cb -0.18 -1.38 1.26 0.00 -0.34 0.00 0.00 43.02 42.39 2asy s PHE 56 CO 0.18 0.37 1.49 0.00 -1.46 0.00 0.00 175.22 175.81 2asy h THR 57 N 3.57 0.08 -1.12 0.12 1.03 -1.63 -2.31 112.91 112.65 2asy h THR 57 Ca -0.49 0.00 0.37 0.00 -0.01 0.00 0.00 66.41 66.27 2asy h THR 57 Cb 1.17 0.12 -0.15 0.00 -1.07 0.00 0.00 68.15 68.21 2asy h THR 57 CO 0.47 0.00 0.95 1.51 -0.01 0.00 0.00 175.52 178.44 2asy s ASP 58 N -3.93 -0.02 -0.13 0.00 1.47 -1.26 -1.92 116.67 110.88 2asy s ASP 58 Ca -0.04 -0.03 -0.16 0.00 1.18 0.00 0.00 52.55 53.50 2asy s ASP 58 Cb 0.18 0.04 -0.25 0.00 -0.34 0.00 0.00 42.92 42.55 2asy s ASP 58 CO 0.62 -0.08 0.47 1.05 0.68 0.00 0.00 175.17 177.92 2asy h GLU 59 N 2.00 0.19 -0.73 2.11 -0.00 -1.93 -3.13 114.58 113.08 2asy h GLU 59 Ca -0.27 -0.32 0.08 0.00 -0.00 0.00 0.00 59.36 58.85 2asy h GLU 59 Cb 1.18 0.12 -0.05 0.00 -0.00 0.00 0.00 28.75 30.00 2asy h GLU 59 CO 0.27 1.15 0.48 1.57 -0.00 0.00 0.00 179.01 182.49 2asy h LYS 60 N -0.42 0.68 0.13 1.06 2.10 -2.00 -1.28 116.57 116.84 2asy h LYS 60 Ca -0.31 -0.04 -0.30 0.00 -2.00 0.00 0.00 60.65 58.00 2asy h LYS 60 Cb 1.67 -0.15 0.03 0.00 -0.90 0.00 0.00 32.23 32.88 2asy h LYS 60 CO 0.01 0.45 -1.24 0.77 -2.00 0.00 0.00 179.45 177.44 2asy h SER 61 N 0.71 0.86 -0.06 7.07 0.02 -1.99 -3.38 113.55 116.77 2asy h SER 61 Ca 0.33 -0.84 0.04 0.00 -0.84 0.00 0.00 61.79 60.48 2asy h SER 61 Cb 0.36 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 2asy h SER 61 CO -0.11 1.61 -0.38 0.00 -1.14 0.00 0.00 176.83 176.81 2asy h ALA 62 N 0.26 -0.54 0.00 3.77 0.00 -1.17 0.48 119.26 122.07 2asy h ALA 62 Ca -0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2asy h ALA 62 Cb 1.92 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 20.38 2asy h ALA 62 CO 0.24 -0.89 -0.29 1.37 0.00 0.00 0.00 179.25 179.68 2asy h LEU 63 N -0.49 0.00 0.00 0.00 -0.00 -1.73 -2.08 115.31 111.01 2asy h LEU 63 Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.83 2asy h LEU 63 Cb 0.61 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.24 2asy h LEU 63 CO -0.34 0.29 -1.06 0.00 -0.00 0.00 0.00 178.44 177.33 2asy h ALA 64 N 1.71 0.65 -0.00 0.17 0.00 -1.50 -3.32 119.26 116.96 2asy h ALA 64 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2asy h ALA 64 Cb 0.64 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2asy h ALA 64 CO 0.04 0.69 -0.05 0.98 0.00 0.00 0.00 179.25 180.91 2asy n TYR 65 N -2.96 0.00 -0.13 0.00 9.36 0.16 -3.20 117.16 120.39 2asy n TYR 65 Ca -0.05 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.33 2asy n TYR 65 Cb 0.76 -0.45 0.53 0.00 -0.63 0.00 0.00 39.34 39.56 2asy n TYR 65 CO 0.00 0.00 0.00 1.37 0.22 0.00 0.00 176.86 178.45 2asy h LEU 66 N 0.01 0.33 -2.11 2.98 8.10 -1.60 -0.06 115.31 122.97 2asy h LEU 66 Ca 0.00 0.02 0.01 0.00 0.11 0.00 0.00 57.88 58.02 2asy h LEU 66 Cb 0.48 -0.05 -0.00 0.00 -0.44 0.00 0.00 40.66 40.65 2asy h LEU 66 CO 0.00 0.17 0.04 -0.08 -4.11 0.00 0.00 178.44 174.46 2asy h GLU 67 N 0.36 0.00 -0.79 0.17 4.81 -1.83 0.19 114.58 117.49 2asy h GLU 67 Ca 0.35 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.53 2asy h GLU 67 Cb 0.85 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.19 2asy h GLU 67 CO -0.10 0.00 0.32 -0.22 -0.73 0.00 0.00 179.01 178.28 2asy h LYS 68 N 0.00 1.18 0.01 1.92 1.63 -1.24 0.32 116.57 120.40 2asy h LYS 68 Ca 0.02 -0.21 -0.09 0.00 -0.85 0.00 0.00 60.65 59.52 2asy h LYS 68 Cb 0.09 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 2asy h LYS 68 CO -0.00 0.95 -0.50 0.45 -3.45 0.00 0.00 179.45 176.90 2asy h HIS 69 N 1.15 0.05 -0.75 1.91 3.86 -1.34 -3.35 115.15 116.67 2asy h HIS 69 Ca 0.26 -0.03 0.11 0.00 -1.16 0.00 0.00 60.37 59.55 2asy h HIS 69 Cb 0.21 -0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.60 2asy h HIS 69 CO 0.02 1.19 0.37 1.15 0.86 0.00 0.00 177.93 181.52 2asy h THR 70 N -0.94 0.79 0.00 2.45 2.02 -0.55 -1.28 112.91 115.40 2asy h THR 70 Ca -0.13 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2asy h THR 70 Cb 1.16 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2asy h THR 70 CO -0.06 0.11 0.00 0.00 0.37 0.00 0.00 175.52 175.94 2asy h ALA 71 N 1.48 1.00 0.00 6.16 0.00 -0.49 0.64 119.26 128.05 2asy h ALA 71 Ca 0.39 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.08 2asy h ALA 71 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2asy h ALA 71 CO -0.32 0.00 -1.25 0.54 0.00 0.00 0.00 179.25 178.23 2asy n ARG 72 N -2.51 0.55 0.13 0.00 3.00 -0.52 -4.22 116.66 113.09 2asy n ARG 72 Ca -0.02 0.55 -0.00 0.00 -0.01 0.00 0.00 57.85 58.37 2asy n ARG 72 Cb 0.05 -1.72 0.06 0.00 0.00 0.00 0.00 32.46 30.85 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 -1.69 0.55 8.10 -0.80 0.72 115.31 121.19 2asy h LEU 73 Ca -0.32 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.63 2asy h LEU 73 Cb 1.21 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.43 2asy h LEU 73 CO -0.20 0.63 -0.18 0.07 -4.11 0.00 0.00 178.44 174.66 2asy h LYS 74 N 0.00 0.00 0.00 0.17 2.10 0.16 0.48 116.57 119.49 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 1.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 2asy h LYS 74 CO 0.08 0.18 -0.19 -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 -1.24 -1.63 -3.43 115.58 116.35 2asy h ASN 75 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2asy h ASN 75 Cb 0.41 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.46 2asy h ASN 75 CO 0.02 0.55 -1.79 0.00 -1.29 0.00 0.00 177.43 174.93 2asy n LEU 76 N -4.51 0.16 0.00 0.34 -0.00 0.21 -4.93 117.00 108.27 2asy n LEU 76 Ca -0.03 -0.08 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 2asy n LEU 76 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 2asy n LEU 76 CO 0.04 0.04 0.00 0.61 -0.00 0.00 0.00 177.39 178.08 2asy n GLY 77 N 1.34 0.15 0.00 1.47 0.00 0.15 -4.92 105.19 103.38 2asy n GLY 77 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.20 -4.60 118.33 118.68 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 -0.03 0.00 0.00 -1.06 0.00 0.00 33.84 32.75 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 -0.10 0.00 -3.70 1.45 1.02 -1.26 -4.74 120.64 113.32 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 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 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 0.23 1.12 0.08 3.49 2.02 -1.26 -3.63 118.70 120.75 2asy s GLU 80 Ca 0.00 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 53.90 2asy s GLU 80 Cb 0.00 0.46 -0.05 0.00 0.10 0.00 0.00 34.13 34.64 2asy s GLU 80 CO 0.00 -0.44 1.07 0.08 0.02 0.00 0.00 175.26 175.99 2asy s VAL 81 N -3.83 4.31 -0.61 2.63 1.01 -1.26 -4.64 120.40 118.01 2asy s VAL 81 Ca 0.05 1.79 -0.20 0.00 0.00 0.00 0.00 61.98 63.62 2asy s VAL 81 Cb 0.02 -4.14 0.09 0.00 0.00 0.00 0.00 36.38 32.34 2asy s VAL 81 CO -0.09 0.21 0.80 -0.69 0.00 0.00 0.00 175.10 175.33 2asy s VAL 82 N 0.51 4.62 -0.22 2.92 1.01 0.13 -4.94 120.40 124.43 2asy s VAL 82 Ca 0.52 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2asy s VAL 82 Cb -0.26 -4.56 0.04 0.00 0.00 0.00 0.00 36.38 31.61 2asy s VAL 82 CO 0.30 -1.24 -0.14 0.00 0.00 0.00 0.00 175.10 174.03 2asy s ALA 83 N 3.24 2.33 -0.01 5.51 0.00 -1.24 -1.61 121.76 129.97 2asy s ALA 83 Ca 0.16 -1.42 0.02 0.00 0.00 0.00 0.00 51.96 50.72 2asy s ALA 83 Cb -0.21 -1.36 -0.00 0.00 0.00 0.00 0.00 23.12 21.54 2asy s ALA 83 CO 0.08 -0.81 -0.07 0.15 0.00 0.00 0.00 175.76 175.12 2asy s LYS 84 N 1.25 0.60 -0.26 0.00 1.02 -0.21 -4.72 119.74 117.42 2asy s LYS 84 Ca -0.02 -0.24 -0.09 0.00 0.02 0.00 0.00 55.97 55.64 2asy s LYS 84 Cb -0.17 -0.59 -0.04 0.00 -0.52 0.00 0.00 37.83 36.52 2asy s LYS 84 CO -0.09 0.13 0.13 0.08 -0.92 0.00 0.00 175.35 174.68 2asy s VAL 85 N -0.05 4.87 0.40 3.17 1.01 -1.26 -0.47 120.40 128.07 2asy s VAL 85 Ca 0.01 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.08 2asy s VAL 85 Cb -0.04 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 33.05 2asy s VAL 85 CO -0.00 0.31 0.56 0.72 0.00 0.00 0.00 175.10 176.68 2asy s PHE 86 N 1.55 2.90 -0.29 5.22 -0.12 -1.26 -5.03 117.98 120.95 2asy s PHE 86 Ca 0.06 -0.32 -0.02 0.00 -0.05 0.00 0.00 56.93 56.60 2asy s PHE 86 Cb -0.15 -2.30 0.04 0.00 -0.63 0.00 0.00 43.02 39.98 2asy s PHE 86 CO 0.07 -0.34 -0.01 0.34 -0.05 0.00 0.00 175.22 175.24 2asy s ASP 87 N -4.31 4.81 0.12 1.98 2.15 -1.26 -4.87 116.67 115.29 2asy s ASP 87 Ca 0.52 -1.19 -0.30 0.00 0.43 0.00 0.00 52.55 52.02 2asy s ASP 87 Cb -0.10 -1.71 -0.06 0.00 -0.30 0.00 0.00 42.92 40.75 2asy s ASP 87 CO 0.33 -0.24 1.00 0.54 -0.17 0.00 0.00 175.17 176.63 2asy s VAL 88 N 1.27 4.39 -0.08 1.11 0.11 -1.26 -5.03 120.40 120.92 2asy s VAL 88 Ca -0.04 1.97 -0.01 0.00 -2.93 0.00 0.00 61.98 60.96 2asy s VAL 88 Cb -0.19 -4.26 0.03 0.00 -1.53 0.00 0.00 36.38 30.43 2asy s VAL 88 CO -0.01 0.30 0.00 0.21 -3.33 0.00 0.00 175.10 172.26 2asy s ASN 89 N 0.07 1.67 0.00 3.54 2.47 -1.26 -5.08 114.94 116.35 2asy s ASN 89 Ca 0.48 -0.13 0.17 0.00 0.42 0.00 0.00 52.86 53.80 2asy s ASN 89 Cb -0.25 -0.46 0.48 0.00 -1.45 0.00 0.00 41.25 39.58 2asy s ASN 89 CO 0.31 -0.20 1.39 -1.84 -3.72 0.00 0.00 177.10 173.04 2asy n GLU 90 N 5.14 2.04 0.25 0.43 0.28 -1.26 -4.22 120.64 123.31 2asy n GLU 90 Ca -0.07 -1.61 0.17 0.00 -0.16 0.00 0.00 57.16 55.49 2asy n GLU 90 Cb 0.50 -1.38 0.90 0.00 1.43 0.00 0.00 31.44 32.89 2asy n GLU 90 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 2asy h PRO 91 N 2.77 0.00 -0.09 3.44 0.13 -2.05 -0.20 132.00 136.01 2asy h PRO 91 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2asy h PRO 91 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2asy h PRO 91 CO 0.00 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.05 2asy n LEU 92 N -3.65 1.90 0.05 1.56 7.99 -1.26 -3.92 117.00 119.67 2asy n LEU 92 Ca -0.00 -0.70 0.08 0.00 -0.01 0.00 0.00 56.01 55.38 2asy n LEU 92 Cb 0.24 -0.05 0.34 0.00 -0.11 0.00 0.00 43.42 43.85 2asy n LEU 92 CO 0.25 0.35 0.75 -1.20 -1.51 0.00 0.00 177.39 176.03 2asy n SER 93 N 0.48 0.22 0.27 -1.43 7.64 -0.09 -1.54 113.62 119.17 2asy n SER 93 Ca 0.18 0.56 0.16 0.00 1.01 0.00 0.00 58.87 60.77 2asy n SER 93 Cb 0.40 -0.61 0.62 0.00 -1.01 0.00 0.00 64.21 63.62 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 0.00 -0.17 1.43 5.75 -1.76 -1.88 115.11 118.48 2asy h GLN 94 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2asy h GLN 94 Cb 0.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.79 2asy h GLN 94 CO 0.00 0.05 0.00 -0.89 -2.65 0.00 0.00 178.83 175.34 2asy n ILE 95 N -3.16 0.37 0.42 2.39 -0.00 -0.59 -4.25 119.36 114.55 2asy n ILE 95 Ca 0.01 -0.69 0.05 0.00 -0.00 0.00 0.00 62.75 62.12 2asy n ILE 95 Cb 0.34 0.99 0.01 0.00 -0.00 0.00 0.00 39.64 40.98 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 0.75 1.33 -0.72 4.38 5.15 -0.74 -4.71 115.26 120.70 2asy n ASN 96 Ca 0.10 -1.17 0.00 0.00 -0.60 0.00 0.00 54.58 52.92 2asy n ASN 96 Cb 0.39 0.36 0.00 0.00 -0.53 0.00 0.00 39.78 40.00 2asy n ASN 96 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2asy n GLN 97 N -0.07 0.72 0.00 1.20 10.64 -1.04 -3.75 117.38 125.09 2asy n GLN 97 Ca 0.04 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 2asy n GLN 97 Cb 0.21 -1.26 0.00 0.00 -0.86 0.00 0.00 30.24 28.33 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 0.36 0.00 0.65 2.61 0.00 -1.26 -4.27 120.51 118.60 2asy n ALA 98 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.49 2asy n ALA 98 Cb 0.26 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.18 2asy n ALA 98 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2asy n LYS 99 N -1.73 0.15 -0.04 0.00 4.76 -1.26 -2.27 118.16 117.78 2asy n LYS 99 Ca 0.00 0.21 0.12 0.00 -2.87 0.00 0.00 58.31 55.78 2asy n LYS 99 Cb 0.00 -1.71 0.43 0.00 -1.84 0.00 0.00 35.03 31.91 2asy n LYS 99 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2asy n LEU 100 N -1.98 1.72 0.00 -0.35 7.99 -1.25 -5.25 117.00 117.89 2asy n LEU 100 Ca 0.05 -0.64 0.00 0.00 -0.01 0.00 0.00 56.01 55.41 2asy n LEU 100 Cb 0.33 -0.05 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 2asy n LEU 100 CO 0.25 0.32 0.07 0.00 -1.51 0.00 0.00 177.39 176.52