#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 -0.56 -2.03 -5.12 0.00 -1.25 -4.98 120.51 106.57 2asy n ALA 2 Ca 0.00 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 2asy n ALA 2 Cb 0.00 -2.55 -0.03 0.00 0.00 0.00 0.00 19.45 16.87 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 -2.95 3.12 -0.29 0.00 2.01 -0.44 -4.81 115.64 112.28 2asy s THR 3 Ca 0.20 0.88 -0.19 0.00 0.31 0.00 0.00 61.69 62.89 2asy s THR 3 Cb -0.09 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 2asy s THR 3 CO 0.25 0.11 0.56 -0.22 -0.69 0.00 0.00 174.62 174.64 2asy s LEU 4 N 0.24 4.13 0.00 4.42 2.96 -1.26 -0.41 118.68 128.77 2asy s LEU 4 Ca 0.60 0.40 0.05 0.00 -0.22 0.00 0.00 54.13 54.96 2asy s LEU 4 Cb -0.38 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 43.58 2asy s LEU 4 CO 0.36 -0.40 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.61 2asy s LEU 5 N 2.45 2.07 -0.15 -0.68 0.20 0.78 -4.01 118.68 119.34 2asy s LEU 5 Ca 0.23 -0.36 -0.21 0.00 0.69 0.00 0.00 54.13 54.47 2asy s LEU 5 Cb -0.15 -0.83 -0.03 0.00 -0.43 0.00 0.00 46.19 44.74 2asy s LEU 5 CO 0.11 0.17 0.64 -1.10 -0.29 0.00 0.00 176.35 175.88 2asy s GLN 6 N -0.63 4.29 -0.28 1.98 -0.21 0.36 -0.44 119.66 124.73 2asy s GLN 6 Ca 0.06 0.69 -0.01 0.00 0.02 0.00 0.00 55.36 56.12 2asy s GLN 6 Cb -0.07 -3.53 0.13 0.00 1.00 0.00 0.00 33.01 30.55 2asy s GLN 6 CO 0.00 -0.12 0.31 -1.17 -2.12 0.00 0.00 175.29 172.19 2asy s LEU 7 N 1.48 -0.33 -0.10 2.90 0.20 0.86 -2.24 118.68 121.45 2asy s LEU 7 Ca 0.31 -0.58 -0.12 0.00 0.69 0.00 0.00 54.13 54.43 2asy s LEU 7 Cb -0.16 0.62 0.03 0.00 -0.43 0.00 0.00 46.19 46.25 2asy s LEU 7 CO 0.12 -0.37 0.32 -1.38 -0.29 0.00 0.00 176.35 174.76 2asy s HIS 8 N 2.40 -0.31 0.24 5.38 -3.43 -0.69 -1.31 115.29 117.57 2asy s HIS 8 Ca 0.09 0.72 0.01 0.00 -0.80 0.00 0.00 55.06 55.09 2asy s HIS 8 Cb -0.14 0.12 -0.05 0.00 -1.43 0.00 0.00 32.58 31.08 2asy s HIS 8 CO -0.29 -0.23 0.08 -0.59 -2.00 0.00 0.00 174.74 171.71 2asy s PHE 9 N -0.21 1.45 0.65 0.38 -0.71 -0.98 -0.42 117.98 118.15 2asy s PHE 9 Ca -0.03 -1.17 -0.16 0.00 -1.04 0.00 0.00 56.93 54.53 2asy s PHE 9 Cb -0.03 -0.84 -0.01 0.00 -1.21 0.00 0.00 43.02 40.94 2asy s PHE 9 CO 0.01 -0.33 1.13 0.00 -1.34 0.00 0.00 175.22 174.69 2asy s ALA 10 N -3.77 2.46 0.79 1.99 0.00 -1.26 0.26 121.76 122.23 2asy s ALA 10 Ca 0.35 0.66 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 2asy s ALA 10 Cb 0.07 -3.35 0.07 0.00 0.00 0.00 0.00 23.12 19.91 2asy s ALA 10 CO 0.12 -1.28 1.09 0.12 0.00 0.00 0.00 175.76 175.81 2asy s PHE 11 N -2.16 2.82 -1.17 0.00 5.36 0.32 -3.65 117.98 119.50 2asy s PHE 11 Ca 0.69 1.20 -0.00 0.00 -0.96 0.00 0.00 56.93 57.86 2asy s PHE 11 Cb -0.23 -3.09 0.00 0.00 -0.34 0.00 0.00 43.02 39.36 2asy s PHE 11 CO 0.39 -1.76 0.06 -1.71 -1.46 0.00 0.00 175.22 170.75 2asy n ASN 12 N -3.43 -4.33 -0.06 6.13 2.85 -1.26 -4.87 115.26 110.29 2asy n ASN 12 Ca 0.07 -0.04 -0.06 0.00 -0.11 0.00 0.00 54.58 54.45 2asy n ASN 12 Cb 0.56 -3.46 -0.02 0.00 1.24 0.00 0.00 39.78 38.10 2asy n ASN 12 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2asy n GLY 13 N -1.05 -0.59 3.97 8.20 0.00 -1.24 -4.26 105.19 110.23 2asy n GLY 13 Ca -0.15 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.25 2.79 0.46 1.61 0.05 -1.26 -3.73 135.00 132.67 2asy s PRO 14 Ca -0.18 -0.74 0.25 0.00 0.05 0.00 0.00 61.00 60.38 2asy s PRO 14 Cb 0.03 -2.56 1.28 0.00 0.05 0.00 0.00 34.50 33.29 2asy s PRO 14 CO 0.27 -0.47 1.82 0.74 0.05 0.00 0.00 177.00 179.41 2asy h PHE 15 N 0.29 0.36 0.00 0.56 0.04 -1.98 -3.46 116.94 112.74 2asy h PHE 15 Ca -0.43 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.35 2asy h PHE 15 Cb 1.28 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.32 2asy h PHE 15 CO 0.40 0.05 0.00 0.41 -0.60 0.00 0.00 178.31 178.57 2asy n GLY 16 N -1.60 3.24 0.34 -1.45 0.00 -1.26 -4.86 105.19 99.60 2asy n GLY 16 Ca 0.23 -0.78 0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.01 1.61 5.19 -1.98 0.04 116.42 120.27 2asy h ASP 17 Ca 0.00 0.00 0.28 0.00 -0.62 0.00 0.00 57.03 56.69 2asy h ASP 17 Cb 0.00 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.45 2asy h ASP 17 CO 0.00 0.00 0.70 0.00 -3.12 0.00 0.00 179.24 176.82 2asy h ALA 18 N 1.59 2.72 0.00 3.45 0.00 -1.92 0.18 119.26 125.27 2asy h ALA 18 Ca 0.03 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.49 2asy h ALA 18 Cb 0.50 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 2asy h ALA 18 CO -0.00 -1.03 -2.46 -1.33 0.00 0.00 0.00 179.25 174.43 2asy n MET 19 N -4.35 0.55 -0.32 0.00 2.81 -0.01 -0.98 117.12 114.82 2asy n MET 19 Ca 0.22 0.24 0.13 0.00 -1.81 0.00 0.00 57.70 56.48 2asy n MET 19 Cb 0.99 -1.43 0.35 0.00 -0.71 0.00 0.00 33.22 32.43 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 -0.94 1.77 0.00 3.04 0.00 -1.48 -3.28 119.26 118.37 2asy h ALA 20 Ca -0.66 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2asy h ALA 20 Cb 1.58 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2asy h ALA 20 CO -0.40 -0.09 -0.09 -1.91 0.00 0.00 0.00 179.25 176.76 2asy n GLU 21 N -4.66 0.00 0.08 0.00 2.13 0.21 -4.85 120.64 113.55 2asy n GLU 21 Ca 0.21 0.00 0.08 0.00 0.66 0.00 0.00 57.16 58.11 2asy n GLU 21 Cb 0.55 -0.32 0.37 0.00 0.27 0.00 0.00 31.44 32.31 2asy n GLU 21 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2asy n GLN 22 N -3.40 0.09 0.01 5.31 1.13 0.37 -2.17 117.38 118.73 2asy n GLN 22 Ca 0.00 0.47 -0.18 0.00 -1.94 0.00 0.00 57.00 55.35 2asy n GLN 22 Cb 0.05 -1.74 -0.11 0.00 0.11 0.00 0.00 30.24 28.55 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 0.56 -0.11 1.08 7.12 -1.12 -2.57 115.31 120.27 2asy h LEU 23 Ca 0.00 -0.77 0.02 0.00 0.13 0.00 0.00 57.88 57.26 2asy h LEU 23 Cb 0.15 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.08 2asy h LEU 23 CO 0.00 1.26 -0.02 0.07 -0.13 0.00 0.00 178.44 179.61 2asy h LYS 24 N -0.07 0.00 0.00 1.25 2.10 -1.66 0.92 116.57 119.11 2asy h LYS 24 Ca -0.08 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.55 2asy h LYS 24 Cb 1.36 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.69 2asy h LYS 24 CO 0.13 0.00 -1.31 -0.35 -2.00 0.00 0.00 179.45 175.92 2asy n PRO 25 N -5.15 0.62 -0.06 0.07 -0.04 -1.26 -4.39 135.00 124.80 2asy n PRO 25 Ca -0.04 0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.49 2asy n PRO 25 Cb 0.08 -1.74 0.07 0.00 -0.04 0.00 0.00 33.50 31.87 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 -2.57 2.12 -0.34 1.53 4.77 -0.97 -4.79 117.00 116.74 2asy n LEU 26 Ca -0.02 -1.50 0.02 0.00 -0.03 0.00 0.00 56.01 54.48 2asy n LEU 26 Cb 0.58 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.67 2asy n LEU 26 CO 0.42 0.49 0.56 0.00 -1.33 0.00 0.00 177.39 177.53 2asy n ALA 27 N 0.29 0.04 0.26 -1.18 0.00 0.31 0.50 120.51 120.73 2asy n ALA 27 Ca 0.06 0.94 0.10 0.00 0.00 0.00 0.00 53.44 54.54 2asy n ALA 27 Cb 0.28 -0.49 0.67 0.00 0.00 0.00 0.00 19.45 19.91 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 0.05 0.00 4.11 -1.86 -0.05 114.58 116.84 2asy h GLU 28 Ca 0.37 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.49 2asy h GLU 28 Cb 0.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2asy h GLU 28 CO -0.91 0.10 -1.71 0.43 0.07 0.00 0.00 179.01 176.98 2asy n SER 29 N -4.09 1.98 -0.08 3.06 7.64 0.18 -3.30 113.62 119.02 2asy n SER 29 Ca -0.03 0.31 -0.14 0.00 1.01 0.00 0.00 58.87 60.02 2asy n SER 29 Cb 0.18 -0.89 -0.10 0.00 -1.01 0.00 0.00 64.21 62.38 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 -0.52 1.20 0.00 0.44 -0.00 -0.29 -3.37 117.51 114.98 2asy h ILE 30 Ca -0.42 -2.05 -0.10 0.00 -0.00 0.00 0.00 64.86 62.29 2asy h ILE 30 Cb 1.65 2.42 -0.02 0.00 -0.00 0.00 0.00 36.82 40.88 2asy h ILE 30 CO -0.10 0.41 -0.72 -1.13 -0.00 0.00 0.00 178.15 176.61 2asy h ASN 31 N -1.00 0.00 -0.95 2.16 -1.24 -1.24 -3.47 115.58 109.84 2asy h ASN 31 Ca -0.11 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.56 2asy h ASN 31 Cb 0.95 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 39.88 2asy h ASN 31 CO -0.07 0.41 -0.32 0.00 -1.29 0.00 0.00 177.43 176.16 2asy n GLN 32 N -3.07 -1.17 -3.10 6.67 6.02 -0.57 -4.48 117.38 117.69 2asy n GLN 32 Ca -0.01 1.06 -0.31 0.00 -0.01 0.00 0.00 57.00 57.73 2asy n GLN 32 Cb 0.72 -5.28 -0.04 0.00 1.02 0.00 0.00 30.24 26.65 2asy n GLN 32 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2asy s GLU 33 N -3.55 3.82 -0.11 -1.09 -1.05 -1.26 -4.99 118.70 110.47 2asy s GLU 33 Ca 0.00 0.42 -0.10 0.00 -0.15 0.00 0.00 54.97 55.14 2asy s GLU 33 Cb 0.00 -2.48 -0.09 0.00 -0.44 0.00 0.00 34.13 31.12 2asy s GLU 33 CO 0.00 0.11 0.26 -1.35 0.95 0.00 0.00 175.26 175.24 2asy h PRO 34 N 1.80 -0.01 0.00 -4.83 0.11 -1.94 -3.41 132.00 123.72 2asy h PRO 34 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2asy h PRO 34 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2asy h PRO 34 CO 0.65 0.33 0.00 0.41 -0.21 0.00 0.00 178.00 179.18 2asy n GLY 35 N 1.70 1.66 4.80 -0.55 0.00 -1.26 -4.79 105.19 106.75 2asy n GLY 35 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.06 1.61 3.01 -1.26 -1.62 117.46 119.14 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 1.28 1.01 0.00 0.00 176.76 179.05 2asy n LEU 37 N 0.00 1.38 0.00 4.37 7.99 -1.26 -4.99 117.00 124.49 2asy n LEU 37 Ca 0.00 0.39 -0.06 0.00 -0.01 0.00 0.00 56.01 56.33 2asy n LEU 37 Cb 0.00 -0.73 0.01 0.00 -0.11 0.00 0.00 43.42 42.59 2asy n LEU 37 CO 0.00 -0.41 0.28 -2.67 -1.51 0.00 0.00 177.39 173.09 2asy n TRP 38 N -3.97 -1.70 -4.62 -1.77 4.27 -1.22 -5.06 117.44 103.37 2asy n TRP 38 Ca -0.08 -1.16 -0.31 0.00 -3.89 0.00 0.00 57.50 52.06 2asy n TRP 38 Cb 0.29 0.52 -0.06 0.00 -1.36 0.00 0.00 31.31 30.70 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 -0.32 0.76 -3.22 -2.67 4.01 -1.26 -4.56 118.16 110.91 2asy n LYS 39 Ca -0.04 -3.64 -0.39 0.00 -0.51 0.00 0.00 58.31 53.73 2asy n LYS 39 Cb 0.35 0.89 -0.06 0.00 -0.51 0.00 0.00 35.03 35.70 2asy n LYS 39 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2asy s VAL 40 N -2.80 5.12 -0.67 -0.18 0.11 -1.26 -4.83 120.40 115.88 2asy s VAL 40 Ca 0.05 1.10 0.05 0.00 -2.93 0.00 0.00 61.98 60.25 2asy s VAL 40 Cb -0.00 -3.89 0.24 0.00 -1.53 0.00 0.00 36.38 31.20 2asy s VAL 40 CO 0.03 0.26 0.76 -2.67 -3.33 0.00 0.00 175.10 170.15 2asy n TRP 41 N 4.06 3.57 -3.77 1.54 4.27 -1.26 -5.01 117.44 120.84 2asy n TRP 41 Ca -0.05 -4.10 -0.13 0.00 -3.89 0.00 0.00 57.50 49.34 2asy n TRP 41 Cb 0.51 -0.61 -0.12 0.00 -1.36 0.00 0.00 31.31 29.73 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 -2.39 -0.01 -0.22 -1.67 2.01 -1.26 -4.97 115.64 107.13 2asy s THR 42 Ca 0.38 0.04 -0.09 0.00 0.31 0.00 0.00 61.69 62.33 2asy s THR 42 Cb 0.12 -0.35 0.09 0.00 0.01 0.00 0.00 72.50 72.37 2asy s THR 42 CO -0.02 0.02 0.48 -0.70 -0.69 0.00 0.00 174.62 173.70 2asy s GLU 43 N 0.44 0.41 -0.30 4.92 2.12 -1.26 -3.12 118.70 121.90 2asy s GLU 43 Ca -0.03 1.07 -0.03 0.00 0.36 0.00 0.00 54.97 56.34 2asy s GLU 43 Cb -0.04 0.34 0.11 0.00 0.26 0.00 0.00 34.13 34.79 2asy s GLU 43 CO -0.02 -0.22 0.14 -1.54 -0.54 0.00 0.00 175.26 173.09 2asy s SER 44 N 2.34 3.44 0.18 -1.70 1.04 -0.46 -4.99 113.70 113.54 2asy s SER 44 Ca -0.05 -1.45 0.03 0.00 0.48 0.00 0.00 55.95 54.96 2asy s SER 44 Cb -0.11 -0.36 0.04 0.00 0.10 0.00 0.00 66.02 65.70 2asy s SER 44 CO -0.14 -0.42 1.41 1.05 0.98 0.00 0.00 173.24 176.12 2asy h GLU 45 N 8.16 0.20 0.00 4.02 4.11 -1.96 0.07 114.58 129.18 2asy h GLU 45 Ca -0.15 -0.20 0.00 0.00 0.07 0.00 0.00 59.36 59.07 2asy h GLU 45 Cb 1.00 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2asy h GLU 45 CO 0.41 0.92 0.00 1.57 0.07 0.00 0.00 179.01 181.97 2asy h LYS 46 N 0.12 0.00 0.00 1.06 -0.00 -1.94 -1.80 116.57 114.01 2asy h LYS 46 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.59 2asy h LYS 46 Cb 1.43 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.65 2asy h LYS 46 CO 0.13 0.00 -1.06 -1.71 -0.00 0.00 0.00 179.45 176.81 2asy n ASN 47 N -2.46 0.85 -2.55 7.07 5.15 -1.08 -4.96 115.26 117.29 2asy n ASN 47 Ca 0.05 0.34 -0.16 0.00 -0.60 0.00 0.00 54.58 54.20 2asy n ASN 47 Cb 0.42 0.41 0.05 0.00 -0.53 0.00 0.00 39.78 40.13 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 -2.71 -1.88 -3.75 1.20 8.25 -0.10 -4.97 115.22 111.26 2asy n HIS 48 Ca -0.01 0.64 -0.13 0.00 -0.26 0.00 0.00 57.72 57.95 2asy n HIS 48 Cb 0.59 -3.73 -0.10 0.00 1.12 0.00 0.00 29.99 27.88 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 -5.80 0.54 -0.15 -0.41 2.12 -0.52 -0.52 118.70 113.97 2asy s GLU 49 Ca 0.37 0.20 -0.04 0.00 0.36 0.00 0.00 54.97 55.85 2asy s GLU 49 Cb -0.16 0.25 0.05 0.00 0.26 0.00 0.00 34.13 34.53 2asy s GLU 49 CO 0.46 -0.11 0.08 0.00 -0.54 0.00 0.00 175.26 175.15 2asy s ALA 50 N -0.50 0.40 0.00 6.30 0.00 0.14 -1.36 121.76 126.74 2asy s ALA 50 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2asy s ALA 50 Cb -0.04 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.13 2asy s ALA 50 CO 0.02 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.15 2asy n GLY 51 N 5.28 2.50 0.00 0.00 0.00 -1.18 -2.31 105.19 109.47 2asy n GLY 51 Ca -0.06 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.85 2.76 3.02 -0.02 0.00 -0.42 -4.73 105.19 103.94 2asy n GLY 52 Ca 0.00 0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 1.56 0.96 0.34 -0.61 -1.09 -1.26 -0.10 121.20 120.99 2asy s ILE 53 Ca 0.00 -0.43 -0.06 0.00 -2.23 0.00 0.00 60.65 57.93 2asy s ILE 53 Cb 0.00 -0.86 0.01 0.00 -1.58 0.00 0.00 42.46 40.03 2asy s ILE 53 CO 0.00 0.30 0.53 -0.72 -1.23 0.00 0.00 174.94 173.82 2asy s TYR 54 N 0.34 0.81 -0.20 3.97 1.13 0.42 -4.84 117.35 118.97 2asy s TYR 54 Ca -0.07 -1.14 -0.11 0.00 -1.41 0.00 0.00 57.07 54.35 2asy s TYR 54 Cb -0.11 0.12 -0.05 0.00 -1.10 0.00 0.00 41.96 40.82 2asy s TYR 54 CO 0.01 -1.20 0.17 -0.51 -2.51 0.00 0.00 175.55 171.51 2asy s LEU 55 N -3.18 4.19 0.12 -3.49 1.02 -1.25 -0.16 118.68 115.93 2asy s LEU 55 Ca 0.27 0.26 0.09 0.00 0.02 0.00 0.00 54.13 54.76 2asy s LEU 55 Cb -0.01 -2.15 -0.04 0.00 0.02 0.00 0.00 46.19 44.01 2asy s LEU 55 CO 0.17 0.14 -0.16 0.12 0.02 0.00 0.00 176.35 176.64 2asy s PHE 56 N 0.54 2.58 0.53 0.29 5.36 0.45 -3.46 117.98 124.27 2asy s PHE 56 Ca 0.09 -0.24 0.37 0.00 -0.96 0.00 0.00 56.93 56.20 2asy s PHE 56 Cb -0.12 -1.35 1.55 0.00 -0.34 0.00 0.00 43.02 42.76 2asy s PHE 56 CO 0.00 0.41 1.77 0.00 -1.46 0.00 0.00 175.22 175.94 2asy h THR 57 N 3.42 0.36 -3.01 0.12 1.03 -1.61 -1.15 112.91 112.06 2asy h THR 57 Ca -0.49 -0.01 0.07 0.00 -0.01 0.00 0.00 66.41 65.96 2asy h THR 57 Cb 1.17 0.33 -0.05 0.00 -1.07 0.00 0.00 68.15 68.53 2asy h THR 57 CO 0.48 0.00 0.22 -1.81 -0.01 0.00 0.00 175.52 174.40 2asy s ASP 58 N -4.99 -0.26 -0.21 0.00 1.11 -1.26 -1.87 116.67 109.19 2asy s ASP 58 Ca -0.05 -0.60 -0.13 0.00 0.18 0.00 0.00 52.55 51.94 2asy s ASP 58 Cb 0.24 0.72 -0.19 0.00 1.07 0.00 0.00 42.92 44.77 2asy s ASP 58 CO 0.82 -1.34 0.05 -0.62 1.18 0.00 0.00 175.17 175.26 2asy n GLU 59 N -0.46 0.63 -0.33 8.23 1.02 -1.26 -3.41 120.64 125.06 2asy n GLU 59 Ca -0.04 0.37 0.06 0.00 -0.02 0.00 0.00 57.16 57.53 2asy n GLU 59 Cb 0.59 -1.64 0.21 0.00 -0.02 0.00 0.00 31.44 30.58 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 -0.63 0.88 -0.01 3.49 2.10 -2.00 0.11 116.57 120.50 2asy h LYS 60 Ca -0.49 -0.05 -0.20 0.00 -2.00 0.00 0.00 60.65 57.91 2asy h LYS 60 Cb 1.63 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 32.75 2asy h LYS 60 CO -0.18 0.58 -0.86 0.77 -2.00 0.00 0.00 179.45 177.76 2asy h SER 61 N 0.90 0.38 0.27 7.07 0.02 -1.98 -3.31 113.55 116.91 2asy h SER 61 Ca 0.46 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2asy h SER 61 Cb 0.45 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 2asy h SER 61 CO -0.26 1.08 -0.26 0.00 -1.14 0.00 0.00 176.83 176.25 2asy h ALA 62 N 0.90 -0.54 0.00 3.77 0.00 -1.00 0.25 119.26 122.65 2asy h ALA 62 Ca -0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2asy h ALA 62 Cb 1.48 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 2asy h ALA 62 CO 0.14 -0.83 -0.37 1.37 0.00 0.00 0.00 179.25 179.56 2asy h LEU 63 N -0.55 0.00 -0.13 0.00 -0.00 -1.62 -2.31 115.31 110.70 2asy h LEU 63 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.65 2asy h LEU 63 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 2asy h LEU 63 CO -0.05 0.37 -0.99 0.00 -0.00 0.00 0.00 178.44 177.77 2asy h ALA 64 N 1.63 0.37 -0.02 0.17 0.00 -1.55 -3.27 119.26 116.59 2asy h ALA 64 Ca -0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2asy h ALA 64 Cb 0.74 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2asy h ALA 64 CO 0.05 0.97 0.00 0.66 0.00 0.00 0.00 179.25 180.93 2asy n TYR 65 N -3.59 0.02 0.04 0.00 4.02 0.86 -3.27 117.16 115.24 2asy n TYR 65 Ca -0.05 -0.01 0.03 0.00 -0.01 0.00 0.00 57.90 57.87 2asy n TYR 65 Cb 0.88 0.00 0.42 0.00 -0.02 0.00 0.00 39.34 40.62 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 1.06 0.39 -1.93 7.72 8.10 -1.52 -1.16 115.31 127.97 2asy h LEU 66 Ca 0.00 -0.03 0.01 0.00 0.11 0.00 0.00 57.88 57.97 2asy h LEU 66 Cb 0.23 -0.10 -0.00 0.00 -0.44 0.00 0.00 40.66 40.34 2asy h LEU 66 CO 0.00 0.35 0.06 -0.33 -4.11 0.00 0.00 178.44 174.42 2asy h GLU 67 N 0.45 0.09 -0.88 0.17 4.39 -1.80 0.36 114.58 117.36 2asy h GLU 67 Ca 0.11 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.83 2asy h GLU 67 Cb 0.08 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 2asy h GLU 67 CO -0.01 0.06 0.58 -0.22 -1.16 0.00 0.00 179.01 178.25 2asy h LYS 68 N 0.09 1.12 0.01 2.33 1.63 -1.43 0.29 116.57 120.61 2asy h LYS 68 Ca 0.04 -0.07 -0.13 0.00 -0.85 0.00 0.00 60.65 59.63 2asy h LYS 68 Cb 0.03 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.39 2asy h LYS 68 CO -0.01 0.74 -0.72 0.45 -3.45 0.00 0.00 179.45 176.46 2asy h HIS 69 N 1.15 0.05 -0.86 1.91 3.86 -1.34 -3.37 115.15 116.55 2asy h HIS 69 Ca 0.34 -0.04 0.10 0.00 -1.16 0.00 0.00 60.37 59.61 2asy h HIS 69 Cb -0.07 -0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.32 2asy h HIS 69 CO -0.01 1.28 0.49 1.15 0.86 0.00 0.00 177.93 181.70 2asy h THR 70 N -0.93 0.90 0.00 2.45 2.02 -0.22 -1.50 112.91 115.63 2asy h THR 70 Ca -0.19 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2asy h THR 70 Cb 1.22 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2asy h THR 70 CO -0.09 0.15 0.00 0.00 0.37 0.00 0.00 175.52 175.95 2asy n ALA 71 N -2.38 1.14 -0.08 6.16 0.00 0.10 0.54 120.51 125.99 2asy n ALA 71 Ca 0.15 0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 2asy n ALA 71 Cb 0.30 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 2asy n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2asy h ARG 72 N 0.00 0.00 0.00 0.00 -0.00 -1.47 -3.39 114.38 109.51 2asy h ARG 72 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.38 2asy h ARG 72 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.01 2asy h ARG 72 CO 0.00 0.31 -0.49 1.37 0.00 0.00 0.00 179.97 181.16 2asy h LEU 73 N -1.00 0.00 -1.37 3.04 8.10 -0.98 0.15 115.31 123.25 2asy h LEU 73 Ca -0.11 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.84 2asy h LEU 73 Cb 0.74 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.94 2asy h LEU 73 CO -0.06 0.49 -0.08 0.07 -4.11 0.00 0.00 178.44 174.74 2asy h LYS 74 N 0.00 0.31 0.00 0.17 2.10 0.01 0.38 116.57 119.54 2asy h LYS 74 Ca -0.00 -0.07 -0.07 0.00 -2.00 0.00 0.00 60.65 58.51 2asy h LYS 74 Cb 1.19 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.46 2asy h LYS 74 CO 0.06 0.41 -0.48 -0.91 -2.00 0.00 0.00 179.45 176.53 2asy h ASN 75 N 0.30 0.00 0.00 7.07 4.21 -1.64 -3.42 115.58 122.10 2asy h ASN 75 Ca 0.06 -0.43 -0.03 0.00 1.21 0.00 0.00 56.30 57.11 2asy h ASN 75 Cb 0.34 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 2asy h ASN 75 CO 0.02 0.99 -1.97 0.00 -1.29 0.00 0.00 177.43 175.18 2asy n LEU 76 N -4.59 0.00 0.00 1.61 -0.00 0.47 -4.96 117.00 109.53 2asy n LEU 76 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 2asy n LEU 76 Cb 0.39 0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 2asy n LEU 76 CO 0.17 0.05 0.00 0.61 -0.00 0.00 0.00 177.39 178.22 2asy n GLY 77 N 1.39 0.29 0.00 1.47 0.00 0.11 -4.90 105.19 103.55 2asy n GLY 77 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.01 -4.72 118.33 118.37 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 -0.01 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 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 0.00 0.00 -3.58 1.45 1.02 -1.26 -4.75 120.64 113.52 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 -0.05 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 0.00 1.08 0.03 3.49 2.02 -1.26 -3.75 118.70 120.31 2asy s GLU 80 Ca 0.00 -0.47 -0.23 0.00 0.02 0.00 0.00 54.97 54.29 2asy s GLU 80 Cb 0.00 0.49 -0.05 0.00 0.10 0.00 0.00 34.13 34.66 2asy s GLU 80 CO 0.00 -0.42 0.71 0.54 0.02 0.00 0.00 175.26 176.11 2asy s VAL 81 N -3.18 4.78 -0.54 2.63 0.11 -1.26 -4.71 120.40 118.23 2asy s VAL 81 Ca -0.01 1.50 -0.28 0.00 -2.93 0.00 0.00 61.98 60.26 2asy s VAL 81 Cb 0.00 -4.05 0.03 0.00 -1.53 0.00 0.00 36.38 30.83 2asy s VAL 81 CO -0.08 0.39 1.22 -0.69 -3.33 0.00 0.00 175.10 172.61 2asy s VAL 82 N -0.12 4.04 -0.12 2.04 1.01 0.44 -4.89 120.40 122.80 2asy s VAL 82 Ca 0.36 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 63.30 2asy s VAL 82 Cb -0.20 -4.63 0.04 0.00 0.00 0.00 0.00 36.38 31.59 2asy s VAL 82 CO 0.21 -1.19 -0.03 0.00 0.00 0.00 0.00 175.10 174.09 2asy s ALA 83 N 4.97 1.10 0.14 5.51 0.00 -1.25 -1.70 121.76 130.53 2asy s ALA 83 Ca 0.47 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.92 2asy s ALA 83 Cb -0.08 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 2asy s ALA 83 CO 0.28 -0.64 0.06 0.15 0.00 0.00 0.00 175.76 175.61 2asy s LYS 84 N 1.80 0.95 -0.28 0.00 3.01 -0.95 -4.82 119.74 119.45 2asy s LYS 84 Ca 0.03 -1.45 0.03 0.00 -1.01 0.00 0.00 55.97 53.57 2asy s LYS 84 Cb -0.14 0.25 0.08 0.00 -1.01 0.00 0.00 37.83 37.00 2asy s LYS 84 CO -0.07 -0.27 -0.03 0.08 0.51 0.00 0.00 175.35 175.57 2asy s VAL 85 N -4.05 1.98 0.41 3.17 1.01 -1.26 -0.49 120.40 121.16 2asy s VAL 85 Ca 0.25 -1.76 0.02 0.00 0.00 0.00 0.00 61.98 60.50 2asy s VAL 85 Cb 0.07 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 2asy s VAL 85 CO 0.02 -0.27 0.60 0.72 0.00 0.00 0.00 175.10 176.17 2asy s PHE 86 N 1.14 3.19 -0.08 5.22 -0.12 -1.26 -5.05 117.98 121.02 2asy s PHE 86 Ca -0.01 0.08 0.01 0.00 -0.05 0.00 0.00 56.93 56.97 2asy s PHE 86 Cb -0.19 -2.19 -0.02 0.00 -0.63 0.00 0.00 43.02 39.98 2asy s PHE 86 CO -0.08 -0.23 -0.10 -0.51 -0.05 0.00 0.00 175.22 174.25 2asy s ASP 87 N -4.20 4.31 0.12 1.98 1.01 -1.26 -4.84 116.67 113.79 2asy s ASP 87 Ca 0.47 -0.16 -0.31 0.00 0.71 0.00 0.00 52.55 53.26 2asy s ASP 87 Cb -0.10 -1.21 -0.08 0.00 1.01 0.00 0.00 42.92 42.55 2asy s ASP 87 CO 0.36 0.30 1.34 0.68 0.21 0.00 0.00 175.17 178.06 2asy s VAL 88 N -0.43 3.41 -0.71 -1.27 -7.23 -1.26 -4.96 120.40 107.96 2asy s VAL 88 Ca 0.06 1.03 -0.13 0.00 -1.81 0.00 0.00 61.98 61.12 2asy s VAL 88 Cb -0.12 -3.66 0.18 0.00 0.56 0.00 0.00 36.38 33.34 2asy s VAL 88 CO 0.02 0.09 0.64 0.21 -0.31 0.00 0.00 175.10 175.75 2asy s ASN 89 N 0.96 6.41 0.54 4.85 2.47 -1.26 -4.94 114.94 123.96 2asy s ASN 89 Ca 0.62 -2.40 0.32 0.00 0.42 0.00 0.00 52.86 51.83 2asy s ASN 89 Cb -0.36 -2.17 1.28 0.00 -1.45 0.00 0.00 41.25 38.56 2asy s ASN 89 CO 0.31 -0.65 1.95 1.05 -3.72 0.00 0.00 177.10 176.05 2asy h GLU 90 N 8.08 0.00 0.00 0.43 -0.00 -1.99 -2.97 114.58 118.13 2asy h GLU 90 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.31 2asy h GLU 90 Cb 1.05 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.80 2asy h GLU 90 CO 0.84 0.02 -0.03 -1.00 -0.00 0.00 0.00 179.01 178.83 2asy h PRO 91 N 0.00 0.00 -0.02 1.06 0.13 -2.04 -0.81 132.00 130.32 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 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2asy h PRO 91 CO 0.00 0.03 -0.05 1.28 -0.23 0.00 0.00 178.00 179.03 2asy n LEU 92 N -3.98 1.60 -0.78 1.56 4.77 -1.12 -4.01 117.00 115.03 2asy n LEU 92 Ca -0.03 -0.52 -0.00 0.00 -0.03 0.00 0.00 56.01 55.43 2asy n LEU 92 Cb 0.11 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2asy n LEU 92 CO 0.30 0.27 0.39 -1.20 -1.33 0.00 0.00 177.39 175.82 2asy n SER 93 N 0.17 1.94 -0.04 -1.43 7.64 -0.31 -2.09 113.62 119.49 2asy n SER 93 Ca 0.17 -2.12 0.01 0.00 1.01 0.00 0.00 58.87 57.94 2asy n SER 93 Cb 0.38 -0.52 -0.12 0.00 -1.01 0.00 0.00 64.21 62.94 2asy n SER 93 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2asy n GLN 94 N 0.14 1.03 0.00 1.43 -0.06 -1.26 -4.50 117.38 114.16 2asy n GLN 94 Ca 0.04 -0.08 0.11 0.00 -2.00 0.00 0.00 57.00 55.07 2asy n GLN 94 Cb 0.43 -1.36 0.03 0.00 -4.06 0.00 0.00 30.24 25.27 2asy n GLN 94 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 2asy n ILE 95 N -2.26 0.00 1.70 1.69 -0.00 -0.89 -3.83 119.36 115.77 2asy n ILE 95 Ca -0.12 -0.12 0.11 0.00 -0.00 0.00 0.00 62.75 62.63 2asy n ILE 95 Cb 0.66 0.94 0.56 0.00 -0.00 0.00 0.00 39.64 41.81 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 -0.83 0.70 -0.03 4.38 6.94 -1.24 -4.28 115.26 120.90 2asy n ASN 96 Ca 0.07 -1.45 0.22 0.00 -0.02 0.00 0.00 54.58 53.41 2asy n ASN 96 Cb 0.39 -0.03 0.71 0.00 -2.36 0.00 0.00 39.78 38.48 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 0.98 0.00 -0.14 -3.83 3.07 -1.86 0.61 115.11 113.94 2asy h GLN 97 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.65 2asy h GLN 97 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.76 2asy h GLN 97 CO 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 178.83 178.61 2asy h ALA 98 N 1.67 1.22 0.00 0.06 0.00 -1.86 -3.34 119.26 117.00 2asy h ALA 98 Ca 0.28 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2asy h ALA 98 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2asy h ALA 98 CO -0.00 0.52 -0.22 1.63 0.00 0.00 0.00 179.25 181.18 2asy n LYS 99 N -4.11 0.69 -0.61 0.00 4.76 -1.06 -4.83 118.16 113.01 2asy n LYS 99 Ca -0.01 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.45 2asy n LYS 99 Cb 0.41 -0.61 0.25 0.00 -1.84 0.00 0.00 35.03 33.24 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 -1.01 4.24 0.00 -0.35 -0.00 0.18 -5.18 117.00 114.89 2asy n LEU 100 Ca 0.00 -2.16 0.00 0.00 -0.00 0.00 0.00 56.01 53.85 2asy n LEU 100 Cb 0.11 -0.63 0.00 0.00 -0.00 0.00 0.00 43.42 42.90 2asy n LEU 100 CO 0.00 0.54 0.00 0.00 -0.00 0.00 0.00 177.39 177.93