#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 -0.77 -1.77 -5.12 0.00 -1.19 -4.97 120.51 106.68 2asy n ALA 2 Ca 0.00 0.23 -0.40 0.00 0.00 0.00 0.00 53.44 53.28 2asy n ALA 2 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 19.45 16.18 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 -3.05 2.58 -0.25 0.00 2.01 -0.19 -4.75 115.64 111.98 2asy s THR 3 Ca 0.26 0.53 -0.13 0.00 0.31 0.00 0.00 61.69 62.66 2asy s THR 3 Cb -0.11 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 2asy s THR 3 CO 0.32 0.09 0.27 -0.22 -0.69 0.00 0.00 174.62 174.39 2asy s LEU 4 N -2.32 4.08 0.01 4.42 2.96 -1.26 -0.24 118.68 126.33 2asy s LEU 4 Ca 0.55 0.21 0.04 0.00 -0.22 0.00 0.00 54.13 54.72 2asy s LEU 4 Cb -0.39 -2.27 -0.01 0.00 0.50 0.00 0.00 46.19 44.01 2asy s LEU 4 CO 0.51 -0.05 -0.13 -0.22 -1.32 0.00 0.00 176.35 175.14 2asy s LEU 5 N 1.52 2.09 -0.08 -0.68 0.20 0.13 -4.23 118.68 117.62 2asy s LEU 5 Ca 0.12 -0.32 -0.25 0.00 0.69 0.00 0.00 54.13 54.36 2asy s LEU 5 Cb -0.15 -0.59 -0.03 0.00 -0.43 0.00 0.00 46.19 44.99 2asy s LEU 5 CO 0.08 0.09 0.78 -1.10 -0.29 0.00 0.00 176.35 175.91 2asy s GLN 6 N -0.67 4.42 -0.26 1.98 -0.21 0.46 -0.31 119.66 125.06 2asy s GLN 6 Ca 0.03 1.01 -0.02 0.00 0.02 0.00 0.00 55.36 56.40 2asy s GLN 6 Cb -0.06 -3.49 0.15 0.00 1.00 0.00 0.00 33.01 30.62 2asy s GLN 6 CO 0.00 -0.07 0.45 -1.17 -2.12 0.00 0.00 175.29 172.38 2asy s LEU 7 N 1.22 -0.88 -0.08 2.90 0.20 0.12 -1.77 118.68 120.40 2asy s LEU 7 Ca 0.40 0.34 -0.20 0.00 0.69 0.00 0.00 54.13 55.36 2asy s LEU 7 Cb -0.18 1.42 0.04 0.00 -0.43 0.00 0.00 46.19 47.05 2asy s LEU 7 CO 0.18 -0.29 0.48 -1.38 -0.29 0.00 0.00 176.35 175.04 2asy s HIS 8 N 2.64 -0.43 0.34 5.38 -3.43 -0.21 -1.05 115.29 118.52 2asy s HIS 8 Ca 0.15 0.84 0.04 0.00 -0.80 0.00 0.00 55.06 55.28 2asy s HIS 8 Cb -0.15 0.22 -0.03 0.00 -1.43 0.00 0.00 32.58 31.18 2asy s HIS 8 CO -0.19 -0.42 0.15 -0.59 -2.00 0.00 0.00 174.74 171.70 2asy s PHE 9 N -0.81 1.70 0.69 0.38 -0.71 -0.81 -0.32 117.98 118.10 2asy s PHE 9 Ca -0.09 -1.34 -0.11 0.00 -1.04 0.00 0.00 56.93 54.35 2asy s PHE 9 Cb -0.03 -0.97 0.00 0.00 -1.21 0.00 0.00 43.02 40.81 2asy s PHE 9 CO 0.05 -0.45 1.06 0.00 -1.34 0.00 0.00 175.22 174.54 2asy s ALA 10 N -3.44 2.77 0.73 1.99 0.00 -1.26 -0.13 121.76 122.41 2asy s ALA 10 Ca 0.32 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.14 2asy s ALA 10 Cb 0.04 -3.13 0.03 0.00 0.00 0.00 0.00 23.12 20.06 2asy s ALA 10 CO 0.17 -1.12 1.08 0.12 0.00 0.00 0.00 175.76 176.01 2asy s PHE 11 N -3.12 3.13 -0.50 0.00 5.36 0.72 -3.81 117.98 119.75 2asy s PHE 11 Ca 0.57 1.20 0.00 0.00 -0.96 0.00 0.00 56.93 57.74 2asy s PHE 11 Cb -0.13 -3.00 0.00 0.00 -0.34 0.00 0.00 43.02 39.55 2asy s PHE 11 CO 0.54 -1.36 0.00 -1.71 -1.46 0.00 0.00 175.22 171.24 2asy n ASN 12 N -3.17 -2.53 0.00 6.13 5.15 -1.26 -4.83 115.26 114.75 2asy n ASN 12 Ca 0.07 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 2asy n ASN 12 Cb 0.56 -1.69 0.00 0.00 -0.53 0.00 0.00 39.78 38.12 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 -1.20 -0.07 3.98 8.20 0.00 -1.25 -3.27 105.19 111.58 2asy n GLY 13 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.57 1.61 0.39 1.61 0.04 -1.26 -3.84 135.00 132.97 2asy s PRO 14 Ca 0.00 -0.95 0.16 0.00 0.04 0.00 0.00 61.00 60.25 2asy s PRO 14 Cb 0.00 -2.26 1.04 0.00 0.04 0.00 0.00 34.50 33.32 2asy s PRO 14 CO 0.00 -1.53 1.80 0.74 0.04 0.00 0.00 177.00 178.04 2asy h PHE 15 N -0.65 0.69 0.00 0.56 0.04 -1.98 -3.46 116.94 112.13 2asy h PHE 15 Ca -0.38 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.41 2asy h PHE 15 Cb 1.27 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.21 2asy h PHE 15 CO -0.27 0.11 0.00 0.41 -0.60 0.00 0.00 178.31 177.96 2asy n GLY 16 N -1.46 3.23 0.32 -1.45 0.00 -1.26 -4.75 105.19 99.81 2asy n GLY 16 Ca 0.23 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 -0.52 1.61 5.19 -1.97 0.18 116.42 120.91 2asy h ASP 17 Ca 0.00 0.00 0.15 0.00 -0.62 0.00 0.00 57.03 56.56 2asy h ASP 17 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 2asy h ASP 17 CO 0.00 0.00 0.45 0.00 -3.12 0.00 0.00 179.24 176.57 2asy h ALA 18 N 1.87 2.34 0.00 3.45 0.00 -1.91 0.37 119.26 125.38 2asy h ALA 18 Ca 0.10 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 2asy h ALA 18 Cb 0.44 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2asy h ALA 18 CO -0.00 -0.72 -1.69 -1.33 0.00 0.00 0.00 179.25 175.51 2asy n MET 19 N -4.00 2.32 -0.03 0.00 2.81 0.52 -1.44 117.12 117.30 2asy n MET 19 Ca 0.10 -0.01 -0.14 0.00 -1.81 0.00 0.00 57.70 55.84 2asy n MET 19 Cb 0.67 -1.26 -0.10 0.00 -0.71 0.00 0.00 33.22 31.81 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 0.51 0.06 0.00 3.04 0.00 -0.97 -3.37 119.26 118.53 2asy h ALA 20 Ca -0.27 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.13 2asy h ALA 20 Cb 1.61 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 2asy h ALA 20 CO 0.01 0.02 -1.23 -1.91 0.00 0.00 0.00 179.25 176.14 2asy n GLU 21 N -4.59 0.17 0.00 0.00 4.07 0.84 -4.70 120.64 116.43 2asy n GLU 21 Ca -0.09 0.07 0.15 0.00 -0.06 0.00 0.00 57.16 57.24 2asy n GLU 21 Cb 0.42 -0.79 0.87 0.00 -0.06 0.00 0.00 31.44 31.89 2asy n GLU 21 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2asy n GLN 22 N -3.45 0.85 -0.03 5.31 1.13 0.92 -3.16 117.38 118.95 2asy n GLN 22 Ca -0.14 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.79 2asy n GLN 22 Cb 0.52 -1.50 -0.11 0.00 0.11 0.00 0.00 30.24 29.27 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 0.08 -0.43 1.08 7.12 -1.41 -2.07 115.31 119.68 2asy h LEU 23 Ca 0.00 -0.66 0.09 0.00 0.13 0.00 0.00 57.88 57.44 2asy h LEU 23 Cb 0.05 -0.02 -0.09 0.00 -0.53 0.00 0.00 40.66 40.06 2asy h LEU 23 CO 0.00 0.73 -0.23 0.11 -0.13 0.00 0.00 178.44 178.91 2asy h LYS 24 N -0.56 -0.14 0.01 1.25 1.57 -1.83 0.16 116.57 117.03 2asy h LYS 24 Ca -0.00 0.01 -0.30 0.00 -1.87 0.00 0.00 60.65 58.49 2asy h LYS 24 Cb 0.72 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.02 2asy h LYS 24 CO 0.01 -0.10 -1.75 -0.35 -0.57 0.00 0.00 179.45 176.70 2asy n PRO 25 N -5.40 0.64 -0.07 3.15 -0.04 -1.25 -4.47 135.00 127.56 2asy n PRO 25 Ca 0.03 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 63.86 2asy n PRO 25 Cb 0.31 -1.78 0.11 0.00 -0.04 0.00 0.00 33.50 32.10 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 -3.08 2.68 -0.31 1.53 4.77 -0.78 -4.63 117.00 117.19 2asy n LEU 26 Ca -0.19 -1.25 0.13 0.00 -0.03 0.00 0.00 56.01 54.67 2asy n LEU 26 Cb 1.05 -0.09 0.27 0.00 -2.33 0.00 0.00 43.42 42.33 2asy n LEU 26 CO 0.45 0.54 0.87 0.00 -1.33 0.00 0.00 177.39 177.92 2asy h ALA 27 N 3.30 1.17 0.00 -1.18 0.00 -0.80 0.53 119.26 122.28 2asy h ALA 27 Ca 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2asy h ALA 27 Cb 0.75 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2asy h ALA 27 CO 0.00 -0.51 -0.01 1.05 0.00 0.00 0.00 179.25 179.78 2asy h GLU 28 N 0.11 0.00 0.00 0.00 4.11 -1.85 0.29 114.58 117.24 2asy h GLU 28 Ca 0.55 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.61 2asy h GLU 28 Cb 1.12 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 2asy h GLU 28 CO -0.76 0.01 -2.22 0.43 0.07 0.00 0.00 179.01 176.55 2asy n SER 29 N -3.12 1.87 -0.03 3.06 7.64 0.14 -3.70 113.62 119.47 2asy n SER 29 Ca -0.01 0.32 -0.13 0.00 1.01 0.00 0.00 58.87 60.06 2asy n SER 29 Cb 0.22 -0.77 -0.11 0.00 -1.01 0.00 0.00 64.21 62.54 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 -0.95 1.52 0.01 0.44 -0.00 -0.39 -3.37 117.51 114.77 2asy h ILE 30 Ca -0.56 -1.62 -0.18 0.00 -0.00 0.00 0.00 64.86 62.50 2asy h ILE 30 Cb 1.48 2.61 -0.02 0.00 -0.00 0.00 0.00 36.82 40.89 2asy h ILE 30 CO -0.34 0.42 -0.98 0.78 -0.00 0.00 0.00 178.15 178.02 2asy h ASN 31 N -0.71 0.03 -2.77 2.16 4.21 -1.54 -3.49 115.58 113.48 2asy h ASN 31 Ca -0.00 -0.65 -0.37 0.00 1.21 0.00 0.00 56.30 56.49 2asy h ASN 31 Cb 0.69 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.87 2asy h ASN 31 CO 0.00 1.39 -0.48 1.67 -1.29 0.00 0.00 177.43 178.72 2asy n GLN 32 N -4.43 -1.78 -4.46 0.81 7.27 0.96 -4.79 117.38 110.97 2asy n GLN 32 Ca -0.26 0.88 -0.31 0.00 0.07 0.00 0.00 57.00 57.38 2asy n GLN 32 Cb 0.65 -5.42 -0.11 0.00 2.41 0.00 0.00 30.24 27.77 2asy n GLN 32 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2asy s GLU 33 N -4.99 2.15 0.00 3.69 4.04 -1.26 -5.01 118.70 117.32 2asy s GLU 33 Ca 0.03 -0.97 0.00 0.00 0.04 0.00 0.00 54.97 54.07 2asy s GLU 33 Cb -0.01 -2.27 0.00 0.00 0.02 0.00 0.00 34.13 31.86 2asy s GLU 33 CO 0.03 0.54 0.38 -0.35 -1.84 0.00 0.00 175.26 174.02 2asy n PRO 34 N 1.22 0.00 0.00 -4.83 -0.04 -1.26 -4.91 135.00 125.18 2asy n PRO 34 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2asy n PRO 34 Cb 0.52 -0.87 0.00 0.00 -0.04 0.00 0.00 33.50 33.12 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 -0.07 2.49 5.00 0.55 0.00 -1.26 -4.85 105.19 107.05 2asy n GLY 35 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.48 117.46 118.29 2asy n PHE 36 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 2asy n PHE 36 Cb 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.46 2asy n PHE 36 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2asy n LEU 37 N 0.00 1.07 -3.86 4.37 7.99 -1.26 -5.00 117.00 120.31 2asy n LEU 37 Ca 0.00 0.41 -0.09 0.00 -0.01 0.00 0.00 56.01 56.32 2asy n LEU 37 Cb 0.00 -0.70 -0.00 0.00 -0.11 0.00 0.00 43.42 42.61 2asy n LEU 37 CO 0.00 -0.46 0.46 -1.66 -1.51 0.00 0.00 177.39 174.22 2asy s TRP 38 N -1.81 0.09 0.50 -1.77 1.48 -1.25 -5.06 118.94 111.11 2asy s TRP 38 Ca -0.11 -0.64 0.05 0.00 -1.06 0.00 0.00 56.10 54.35 2asy s TRP 38 Cb 0.01 0.68 0.00 0.00 -1.16 0.00 0.00 33.47 33.01 2asy s TRP 38 CO 0.16 -1.38 0.27 0.15 -4.06 0.00 0.00 176.95 172.09 2asy s LYS 39 N -3.06 2.25 -0.00 3.25 -0.14 -1.26 -4.48 119.74 116.30 2asy s LYS 39 Ca 0.15 -2.02 -0.18 0.00 -1.36 0.00 0.00 55.97 52.56 2asy s LYS 39 Cb -0.05 -1.98 -0.06 0.00 -1.68 0.00 0.00 37.83 34.06 2asy s LYS 39 CO 0.10 -0.42 0.51 0.54 -0.76 0.00 0.00 175.35 175.32 2asy s VAL 40 N -2.73 4.95 -0.62 3.17 0.11 -1.26 -4.91 120.40 119.10 2asy s VAL 40 Ca 0.31 1.07 0.05 0.00 -2.93 0.00 0.00 61.98 60.48 2asy s VAL 40 Cb -0.00 -3.84 0.33 0.00 -1.53 0.00 0.00 36.38 31.34 2asy s VAL 40 CO 0.18 0.48 1.00 -2.67 -3.33 0.00 0.00 175.10 170.77 2asy n TRP 41 N 2.37 3.92 -3.79 1.54 4.27 -1.26 -5.02 117.44 119.46 2asy n TRP 41 Ca -0.10 -3.89 -0.13 0.00 -3.89 0.00 0.00 57.50 49.49 2asy n TRP 41 Cb 0.51 -0.56 -0.13 0.00 -1.36 0.00 0.00 31.31 29.78 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 -4.27 -0.01 -0.23 -1.67 2.01 -1.26 -5.05 115.64 105.15 2asy s THR 42 Ca 0.47 0.05 -0.13 0.00 0.31 0.00 0.00 61.69 62.39 2asy s THR 42 Cb 0.26 -0.25 0.07 0.00 0.01 0.00 0.00 72.50 72.59 2asy s THR 42 CO -0.13 0.02 0.56 -0.70 -0.69 0.00 0.00 174.62 173.69 2asy s GLU 43 N 0.41 0.57 -0.42 4.92 2.12 -1.26 -2.26 118.70 122.78 2asy s GLU 43 Ca -0.03 1.02 0.02 0.00 0.36 0.00 0.00 54.97 56.34 2asy s GLU 43 Cb -0.04 0.08 0.14 0.00 0.26 0.00 0.00 34.13 34.57 2asy s GLU 43 CO -0.02 -0.15 0.25 -1.12 -0.54 0.00 0.00 175.26 173.69 2asy s SER 44 N 1.47 3.17 0.26 -1.70 0.01 0.47 -4.97 113.70 112.41 2asy s SER 44 Ca -0.09 -2.58 -0.05 0.00 1.31 0.00 0.00 55.95 54.53 2asy s SER 44 Cb -0.06 -0.75 0.30 0.00 0.21 0.00 0.00 66.02 65.71 2asy s SER 44 CO -0.16 -0.26 1.91 1.05 0.41 0.00 0.00 173.24 176.19 2asy h GLU 45 N 6.62 1.23 0.00 12.44 4.11 -1.96 0.11 114.58 137.13 2asy h GLU 45 Ca 0.06 -0.10 -0.07 0.00 0.07 0.00 0.00 59.36 59.32 2asy h GLU 45 Cb 0.93 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2asy h GLU 45 CO 0.40 0.85 -0.33 1.57 0.07 0.00 0.00 179.01 181.57 2asy h LYS 46 N 1.26 0.00 0.00 1.06 -0.00 -1.93 -2.18 116.57 114.78 2asy h LYS 46 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.98 2asy h LYS 46 Cb -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.15 2asy h LYS 46 CO -0.06 0.33 -0.91 -1.71 -0.00 0.00 0.00 179.45 177.09 2asy n ASN 47 N -3.97 0.73 -2.82 7.07 5.15 -0.80 -4.95 115.26 115.66 2asy n ASN 47 Ca -0.02 0.14 -0.18 0.00 -0.60 0.00 0.00 54.58 53.93 2asy n ASN 47 Cb 0.39 0.46 0.06 0.00 -0.53 0.00 0.00 39.78 40.16 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 -2.33 -2.16 -3.80 1.20 8.25 0.31 -4.95 115.22 111.73 2asy n HIS 48 Ca 0.01 0.75 -0.13 0.00 -0.26 0.00 0.00 57.72 58.10 2asy n HIS 48 Cb 0.49 -4.05 -0.09 0.00 1.12 0.00 0.00 29.99 27.46 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 -5.97 0.61 -0.13 -0.41 2.12 -0.81 -0.20 118.70 113.90 2asy s GLU 49 Ca 0.44 -0.27 -0.06 0.00 0.36 0.00 0.00 54.97 55.43 2asy s GLU 49 Cb -0.19 0.26 0.06 0.00 0.26 0.00 0.00 34.13 34.52 2asy s GLU 49 CO 0.54 -0.16 0.30 0.00 -0.54 0.00 0.00 175.26 175.40 2asy s ALA 50 N -1.37 -0.71 0.00 6.30 0.00 0.81 -0.39 121.76 126.40 2asy s ALA 50 Ca -0.14 1.15 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2asy s ALA 50 Cb -0.06 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2asy s ALA 50 CO 0.03 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.87 2asy n GLY 51 N 4.51 0.72 0.00 0.00 0.00 -0.96 -1.93 105.19 107.54 2asy n GLY 51 Ca -0.20 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 0.00 -0.43 2.84 -0.02 0.00 -0.22 -4.74 105.19 102.62 2asy n GLY 52 Ca 0.00 0.59 -0.14 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 0.05 0.32 -0.61 1.01 -1.26 0.16 121.20 120.87 2asy s ILE 53 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.67 2asy s ILE 53 Cb 0.00 -0.11 0.02 0.00 0.01 0.00 0.00 42.46 42.38 2asy s ILE 53 CO 0.00 0.07 0.50 0.00 0.00 0.00 0.00 174.94 175.50 2asy n TYR 54 N 3.60 -1.57 -3.55 3.97 4.11 0.58 -4.94 117.16 119.37 2asy n TYR 54 Ca -0.20 -1.92 -0.37 0.00 -0.00 0.00 0.00 57.90 55.41 2asy n TYR 54 Cb 0.55 0.57 -0.06 0.00 -0.00 0.00 0.00 39.34 40.40 2asy n TYR 54 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2asy s LEU 55 N 0.00 4.42 0.12 -3.48 1.02 -1.26 0.19 118.68 119.70 2asy s LEU 55 Ca 0.22 0.88 0.06 0.00 0.02 0.00 0.00 54.13 55.31 2asy s LEU 55 Cb -0.02 -2.71 -0.04 0.00 0.02 0.00 0.00 46.19 43.45 2asy s LEU 55 CO 0.16 0.27 -0.15 0.12 0.02 0.00 0.00 176.35 176.77 2asy s PHE 56 N -1.20 1.48 0.62 0.29 5.36 0.66 -3.87 117.98 121.32 2asy s PHE 56 Ca 0.27 -0.52 0.27 0.00 -0.96 0.00 0.00 56.93 55.99 2asy s PHE 56 Cb -0.15 -0.77 1.39 0.00 -0.34 0.00 0.00 43.02 43.14 2asy s PHE 56 CO 0.15 0.17 1.80 0.00 -1.46 0.00 0.00 175.22 175.88 2asy h THR 57 N 3.58 0.20 -1.95 0.12 1.03 -1.79 -0.47 112.91 113.63 2asy h THR 57 Ca -0.41 0.00 0.14 0.00 -0.01 0.00 0.00 66.41 66.13 2asy h THR 57 Cb 1.20 0.54 -0.03 0.00 -1.07 0.00 0.00 68.15 68.79 2asy h THR 57 CO 0.49 0.00 0.41 -0.90 -0.01 0.00 0.00 175.52 175.51 2asy n ASP 58 N -3.35 -0.85 -0.08 0.00 5.68 -1.26 -0.32 116.55 116.37 2asy n ASP 58 Ca 0.06 -1.35 -0.10 0.00 -0.50 0.00 0.00 54.79 52.90 2asy n ASP 58 Cb 0.67 1.35 -0.08 0.00 -1.14 0.00 0.00 41.12 41.92 2asy n ASP 58 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2asy n GLU 59 N -0.46 0.85 -0.20 0.11 -0.00 -1.26 -3.78 120.64 115.89 2asy n GLU 59 Ca 0.00 0.07 -0.05 0.00 -0.00 0.00 0.00 57.16 57.18 2asy n GLU 59 Cb 0.33 -1.33 0.05 0.00 -0.00 0.00 0.00 31.44 30.49 2asy n GLU 59 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 2asy h LYS 60 N 0.00 0.70 0.00 3.44 2.10 -2.01 -2.35 116.57 118.44 2asy h LYS 60 Ca -0.37 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2asy h LYS 60 Cb 1.64 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.81 2asy h LYS 60 CO -0.04 0.46 -0.64 -1.13 -2.00 0.00 0.00 179.45 176.11 2asy n SER 61 N -4.74 0.64 -0.31 7.07 3.41 -1.26 -4.23 113.62 114.20 2asy n SER 61 Ca 0.05 0.03 0.06 0.00 -0.26 0.00 0.00 58.87 58.75 2asy n SER 61 Cb 0.07 0.23 0.22 0.00 -0.26 0.00 0.00 64.21 64.48 2asy n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2asy h ALA 62 N 2.61 1.34 0.00 7.33 0.00 -1.51 0.26 119.26 129.28 2asy h ALA 62 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2asy h ALA 62 Cb 0.70 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2asy h ALA 62 CO 0.00 0.04 -0.42 1.37 0.00 0.00 0.00 179.25 180.24 2asy h LEU 63 N 0.77 0.00 -0.36 0.00 -0.00 -1.73 -2.78 115.31 111.21 2asy h LEU 63 Ca 0.46 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 58.19 2asy h LEU 63 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 2asy h LEU 63 CO -0.31 0.42 -0.71 0.00 -0.00 0.00 0.00 178.44 177.84 2asy h ALA 64 N 1.58 0.68 -0.09 0.17 0.00 -1.24 -3.13 119.26 117.24 2asy h ALA 64 Ca -0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 2asy h ALA 64 Cb 1.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2asy h ALA 64 CO 0.05 0.89 0.03 -0.92 0.00 0.00 0.00 179.25 179.30 2asy h TYR 65 N 0.00 0.11 -0.57 0.00 3.20 -0.29 -1.93 116.97 117.49 2asy h TYR 65 Ca -0.01 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2asy h TYR 65 Cb 1.38 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.58 2asy h TYR 65 CO 0.00 0.10 0.31 1.37 -1.64 0.00 0.00 178.16 178.30 2asy h LEU 66 N 0.12 0.69 -1.85 2.82 8.10 -1.50 -2.19 115.31 121.50 2asy h LEU 66 Ca 0.03 -0.05 -0.03 0.00 0.11 0.00 0.00 57.88 57.95 2asy h LEU 66 Cb 0.04 -0.17 -0.00 0.00 -0.44 0.00 0.00 40.66 40.08 2asy h LEU 66 CO -0.00 0.55 -0.13 -0.08 -4.11 0.00 0.00 178.44 174.67 2asy h GLU 67 N 0.78 0.00 -0.49 0.17 4.81 -1.52 0.30 114.58 118.64 2asy h GLU 67 Ca 0.20 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 2asy h GLU 67 Cb 0.02 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2asy h GLU 67 CO -0.03 0.13 -0.05 0.87 -0.73 0.00 0.00 179.01 179.20 2asy h LYS 68 N 0.00 0.85 0.12 1.92 6.56 -1.48 0.18 116.57 124.72 2asy h LYS 68 Ca -0.00 -0.26 -0.16 0.00 -1.06 0.00 0.00 60.65 59.17 2asy h LYS 68 Cb 0.28 -0.08 0.02 0.00 -0.57 0.00 0.00 32.23 31.88 2asy h LYS 68 CO 0.02 0.88 -0.69 0.45 -2.06 0.00 0.00 179.45 178.05 2asy h HIS 69 N 0.78 0.46 -0.97 -1.35 3.86 -1.15 -3.30 115.15 113.48 2asy h HIS 69 Ca 0.14 -0.34 0.12 0.00 -1.16 0.00 0.00 60.37 59.14 2asy h HIS 69 Cb 0.54 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 28.91 2asy h HIS 69 CO 0.03 1.26 0.61 1.15 0.86 0.00 0.00 177.93 181.84 2asy h THR 70 N -0.46 0.90 -0.12 2.45 2.02 -0.35 -1.76 112.91 115.59 2asy h THR 70 Ca -0.12 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 66.78 2asy h THR 70 Cb 1.54 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2asy h THR 70 CO 0.13 0.17 0.26 0.00 0.37 0.00 0.00 175.52 176.44 2asy h ALA 71 N 1.56 1.55 0.00 6.16 0.00 -0.71 0.67 119.26 128.49 2asy h ALA 71 Ca 0.48 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.27 2asy h ALA 71 Cb 0.54 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2asy h ALA 71 CO -0.24 -0.32 -0.72 0.00 0.00 0.00 0.00 179.25 177.96 2asy h ARG 72 N 0.00 0.00 0.00 0.00 -0.00 -1.50 -3.36 114.38 109.52 2asy h ARG 72 Ca 0.06 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.42 2asy h ARG 72 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.53 2asy h ARG 72 CO -0.00 0.67 -0.54 1.37 0.00 0.00 0.00 179.97 181.46 2asy h LEU 73 N -1.00 0.00 -1.53 3.04 8.10 -1.23 -0.66 115.31 122.03 2asy h LEU 73 Ca -0.17 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.77 2asy h LEU 73 Cb 0.93 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.14 2asy h LEU 73 CO -0.10 0.54 -0.24 0.07 -4.11 0.00 0.00 178.44 174.60 2asy h LYS 74 N 0.00 0.00 0.00 0.17 2.10 0.11 0.38 116.57 119.33 2asy h LYS 74 Ca -0.01 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 2asy h LYS 74 Cb 1.20 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2asy h LYS 74 CO 0.07 0.24 -0.31 -0.97 -2.00 0.00 0.00 179.45 176.49 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 -0.26 0.00 0.00 0.71 0.00 0.00 56.30 56.75 2asy h ASN 75 Cb 0.50 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.55 2asy h ASN 75 CO 0.03 0.80 0.00 0.00 -1.29 0.00 0.00 177.43 176.97 2asy n LEU 76 N -4.66 0.74 0.00 0.34 -0.00 -0.29 -5.04 117.00 108.09 2asy n LEU 76 Ca -0.08 -0.86 0.00 0.00 -0.00 0.00 0.00 56.01 55.07 2asy n LEU 76 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.68 2asy n LEU 76 CO 0.12 0.18 0.00 0.61 -0.00 0.00 0.00 177.39 178.30 2asy n GLY 77 N 0.24 0.52 0.23 1.47 0.00 0.13 -4.89 105.19 102.90 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 -1.14 -4.77 118.33 117.17 2asy n VAL 78 Ca 0.00 0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 2asy n VAL 78 Cb 0.00 -0.87 0.00 0.00 -1.06 0.00 0.00 33.84 31.91 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 -1.67 0.00 -3.89 1.45 1.02 -1.26 -4.98 120.64 111.31 2asy n GLU 79 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 2asy n GLU 79 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 2asy n GLU 79 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2asy s GLU 80 N 0.00 1.84 -0.12 3.49 2.56 -1.26 -4.44 118.70 120.77 2asy s GLU 80 Ca 0.00 -1.18 -0.05 0.00 0.00 0.00 0.00 54.97 53.74 2asy s GLU 80 Cb 0.00 0.58 -0.04 0.00 2.00 0.00 0.00 34.13 36.67 2asy s GLU 80 CO 0.00 -0.83 0.06 0.54 -0.56 0.00 0.00 175.26 174.47 2asy s VAL 81 N -3.54 4.84 -0.46 3.70 0.11 -1.26 -4.50 120.40 119.28 2asy s VAL 81 Ca 0.15 -0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 58.94 2asy s VAL 81 Cb -0.04 -3.10 0.03 0.00 -1.53 0.00 0.00 36.38 31.74 2asy s VAL 81 CO 0.09 0.57 0.76 -0.69 -3.33 0.00 0.00 175.10 172.51 2asy s VAL 82 N -0.62 4.68 -0.06 2.04 1.01 0.57 -4.92 120.40 123.10 2asy s VAL 82 Ca 0.11 0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 2asy s VAL 82 Cb -0.12 -4.32 0.03 0.00 0.00 0.00 0.00 36.38 31.97 2asy s VAL 82 CO 0.02 -0.73 0.02 0.00 0.00 0.00 0.00 175.10 174.41 2asy s ALA 83 N 3.21 0.51 0.03 5.51 0.00 -1.25 -1.05 121.76 128.73 2asy s ALA 83 Ca 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 2asy s ALA 83 Cb -0.13 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 2asy s ALA 83 CO 0.21 -0.39 0.00 0.15 0.00 0.00 0.00 175.76 175.73 2asy s LYS 84 N 1.84 0.46 -0.28 0.00 3.01 -0.73 -4.87 119.74 119.18 2asy s LYS 84 Ca 0.02 -0.80 -0.08 0.00 -1.01 0.00 0.00 55.97 54.10 2asy s LYS 84 Cb -0.12 0.17 -0.01 0.00 -1.01 0.00 0.00 37.83 36.85 2asy s LYS 84 CO -0.04 -0.09 0.09 0.08 0.51 0.00 0.00 175.35 175.90 2asy s VAL 85 N -2.39 4.26 0.58 3.17 1.01 -1.26 -0.40 120.40 125.36 2asy s VAL 85 Ca -0.07 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.59 2asy s VAL 85 Cb -0.03 -3.10 0.09 0.00 0.00 0.00 0.00 36.38 33.33 2asy s VAL 85 CO -0.04 0.19 0.79 0.72 0.00 0.00 0.00 175.10 176.76 2asy s PHE 86 N 1.58 1.45 -0.06 5.22 -0.12 -1.26 -5.03 117.98 119.76 2asy s PHE 86 Ca 0.05 -0.70 0.02 0.00 -0.05 0.00 0.00 56.93 56.24 2asy s PHE 86 Cb -0.16 -2.24 0.02 0.00 -0.63 0.00 0.00 43.02 40.00 2asy s PHE 86 CO 0.04 -1.16 -0.08 0.34 -0.05 0.00 0.00 175.22 174.31 2asy s ASP 87 N -4.66 1.40 0.02 1.98 2.15 -1.26 -4.91 116.67 111.39 2asy s ASP 87 Ca 0.62 -0.22 -0.16 0.00 0.43 0.00 0.00 52.55 53.23 2asy s ASP 87 Cb -0.06 -0.65 -0.06 0.00 -0.30 0.00 0.00 42.92 41.86 2asy s ASP 87 CO 0.39 -0.02 0.45 0.68 -0.17 0.00 0.00 175.17 176.50 2asy s VAL 88 N 0.83 4.96 -0.08 1.11 -7.23 -1.26 -5.07 120.40 113.65 2asy s VAL 88 Ca -0.12 0.91 0.02 0.00 -1.81 0.00 0.00 61.98 60.98 2asy s VAL 88 Cb -0.15 -3.75 -0.02 0.00 0.56 0.00 0.00 36.38 33.02 2asy s VAL 88 CO 0.01 0.55 -0.15 0.54 -0.31 0.00 0.00 175.10 175.75 2asy s ASN 89 N -1.13 3.95 0.18 4.85 4.22 -1.26 -5.05 114.94 120.71 2asy s ASN 89 Ca 0.26 -0.27 -0.10 0.00 -2.14 0.00 0.00 52.86 50.61 2asy s ASN 89 Cb -0.17 -1.17 0.08 0.00 1.28 0.00 0.00 41.25 41.27 2asy s ASN 89 CO 0.15 0.26 1.68 -0.33 -2.04 0.00 0.00 177.10 176.82 2asy h GLU 90 N 5.97 1.05 -1.07 3.55 5.08 -2.00 -3.33 114.58 123.82 2asy h GLU 90 Ca -0.37 -0.28 0.29 0.00 -1.00 0.00 0.00 59.36 58.00 2asy h GLU 90 Cb 1.18 -0.13 -0.09 0.00 0.50 0.00 0.00 28.75 30.21 2asy h GLU 90 CO 0.52 0.97 0.70 -1.00 -1.00 0.00 0.00 179.01 179.20 2asy h PRO 91 N 0.97 0.32 -0.09 2.33 0.13 -2.05 -0.34 132.00 133.27 2asy h PRO 91 Ca 0.20 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2asy h PRO 91 Cb 0.42 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.48 2asy h PRO 91 CO 0.01 0.21 0.00 1.28 -0.23 0.00 0.00 178.00 179.27 2asy n LEU 92 N -4.59 1.78 -1.19 1.56 7.99 -1.25 -3.68 117.00 117.62 2asy n LEU 92 Ca 0.26 -0.66 -0.04 0.00 -0.01 0.00 0.00 56.01 55.56 2asy n LEU 92 Cb 0.96 -0.05 0.06 0.00 -0.11 0.00 0.00 43.42 44.28 2asy n LEU 92 CO 0.27 0.33 0.63 -0.24 -1.51 0.00 0.00 177.39 176.86 2asy n SER 93 N 0.39 2.95 -0.00 -1.43 2.88 -0.14 -2.04 113.62 116.23 2asy n SER 93 Ca 0.18 -2.35 0.03 0.00 -1.33 0.00 0.00 58.87 55.39 2asy n SER 93 Cb 0.38 -0.57 -0.04 0.00 -0.75 0.00 0.00 64.21 63.22 2asy n SER 93 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2asy n GLN 94 N 0.11 0.19 -0.05 -1.46 7.27 -1.24 -4.56 117.38 117.64 2asy n GLN 94 Ca 0.13 -0.05 0.08 0.00 0.07 0.00 0.00 57.00 57.22 2asy n GLN 94 Cb 0.72 -1.13 0.09 0.00 2.41 0.00 0.00 30.24 32.33 2asy n GLN 94 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 2asy n ILE 95 N -1.70 0.22 0.05 1.69 -0.00 -0.86 -4.28 119.36 114.48 2asy n ILE 95 Ca -0.01 -0.61 0.10 0.00 -0.00 0.00 0.00 62.75 62.24 2asy n ILE 95 Cb 0.15 1.14 0.28 0.00 -0.00 0.00 0.00 39.64 41.21 2asy n ILE 95 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2asy n ASN 96 N 0.86 3.35 0.30 4.38 6.94 -1.23 -4.50 115.26 125.36 2asy n ASN 96 Ca 0.10 -1.99 0.15 0.00 -0.02 0.00 0.00 54.58 52.83 2asy n ASN 96 Cb 0.40 -0.40 0.91 0.00 -2.36 0.00 0.00 39.78 38.34 2asy n ASN 96 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 2asy h GLN 97 N 3.75 0.00 0.00 -3.83 3.07 -1.87 -1.84 115.11 114.38 2asy h GLN 97 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2asy h GLN 97 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.41 2asy h GLN 97 CO 0.00 0.01 0.00 0.00 0.09 0.00 0.00 178.83 178.93 2asy n ALA 98 N -2.31 1.92 -0.30 0.06 0.00 -1.26 -3.22 120.51 115.40 2asy n ALA 98 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2asy n ALA 98 Cb 0.10 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.15 2asy n ALA 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2asy n LYS 99 N -2.01 0.60 -0.18 0.00 3.00 -1.13 -4.83 118.16 113.61 2asy n LYS 99 Ca 0.04 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.43 2asy n LYS 99 Cb 0.29 -0.05 0.18 0.00 0.00 0.00 0.00 35.03 35.45 2asy n LYS 99 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2asy n LEU 100 N 0.00 3.09 0.00 3.14 4.77 -0.71 -5.20 117.00 122.10 2asy n LEU 100 Ca 0.00 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.30 2asy n LEU 100 Cb 0.00 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2asy n LEU 100 CO 0.00 0.72 0.00 0.00 -1.33 0.00 0.00 177.39 176.78