#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 -0.65 -1.77 -5.12 0.00 -1.25 -5.01 120.51 106.72 2asy n ALA 2 Ca 0.00 0.20 -0.39 0.00 0.00 0.00 0.00 53.44 53.24 2asy n ALA 2 Cb 0.00 -2.85 -0.02 0.00 0.00 0.00 0.00 19.45 16.58 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 -3.00 2.99 -0.26 0.00 2.01 -0.84 -4.80 115.64 111.75 2asy s THR 3 Ca 0.23 0.91 -0.15 0.00 0.31 0.00 0.00 61.69 62.99 2asy s THR 3 Cb -0.10 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2asy s THR 3 CO 0.29 0.15 0.40 -0.22 -0.69 0.00 0.00 174.62 174.54 2asy s LEU 4 N -2.17 4.06 0.00 4.42 2.96 -1.26 -0.18 118.68 126.52 2asy s LEU 4 Ca 0.53 0.36 0.05 0.00 -0.22 0.00 0.00 54.13 54.85 2asy s LEU 4 Cb -0.34 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 43.86 2asy s LEU 4 CO 0.44 -0.18 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.93 2asy s LEU 5 N 1.96 2.07 0.08 -0.68 0.20 0.87 -3.06 118.68 120.12 2asy s LEU 5 Ca 0.17 -0.31 -0.25 0.00 0.69 0.00 0.00 54.13 54.42 2asy s LEU 5 Cb -0.16 -0.70 -0.06 0.00 -0.43 0.00 0.00 46.19 44.85 2asy s LEU 5 CO 0.09 0.14 0.77 -1.10 -0.29 0.00 0.00 176.35 175.95 2asy s GLN 6 N -0.56 4.51 -0.32 1.98 -0.21 0.54 -0.29 119.66 125.31 2asy s GLN 6 Ca 0.04 1.09 0.04 0.00 0.02 0.00 0.00 55.36 56.55 2asy s GLN 6 Cb -0.06 -3.33 0.17 0.00 1.00 0.00 0.00 33.01 30.79 2asy s GLN 6 CO -0.00 0.38 0.45 -1.17 -2.12 0.00 0.00 175.29 172.83 2asy s LEU 7 N -0.41 -0.83 -0.06 2.90 0.20 0.98 -3.28 118.68 118.18 2asy s LEU 7 Ca 0.38 -0.63 -0.09 0.00 0.69 0.00 0.00 54.13 54.47 2asy s LEU 7 Cb -0.21 1.21 0.02 0.00 -0.43 0.00 0.00 46.19 46.78 2asy s LEU 7 CO 0.24 -0.30 0.23 -1.38 -0.29 0.00 0.00 176.35 174.84 2asy s HIS 8 N 2.25 -0.18 0.30 5.38 -3.43 -0.77 -1.05 115.29 117.79 2asy s HIS 8 Ca 0.12 0.40 0.03 0.00 -0.80 0.00 0.00 55.06 54.82 2asy s HIS 8 Cb -0.11 0.06 -0.04 0.00 -1.43 0.00 0.00 32.58 31.06 2asy s HIS 8 CO -0.21 -0.20 0.16 -0.59 -2.00 0.00 0.00 174.74 171.90 2asy s PHE 9 N -0.44 1.59 0.51 0.38 -0.71 -0.57 0.06 117.98 118.80 2asy s PHE 9 Ca -0.05 -1.38 -0.20 0.00 -1.04 0.00 0.00 56.93 54.26 2asy s PHE 9 Cb -0.04 -0.84 -0.08 0.00 -1.21 0.00 0.00 43.02 40.86 2asy s PHE 9 CO 0.01 -0.54 1.06 0.00 -1.34 0.00 0.00 175.22 174.41 2asy s ALA 10 N -3.63 2.82 0.53 1.99 0.00 -1.26 0.55 121.76 122.77 2asy s ALA 10 Ca 0.36 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 52.93 2asy s ALA 10 Cb 0.05 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2asy s ALA 10 CO 0.18 -0.45 0.80 0.12 0.00 0.00 0.00 175.76 176.41 2asy s PHE 11 N -1.97 3.23 -0.52 0.00 5.36 0.39 -4.28 117.98 120.19 2asy s PHE 11 Ca 0.68 0.44 0.00 0.00 -0.96 0.00 0.00 56.93 57.09 2asy s PHE 11 Cb -0.18 -2.55 0.00 0.00 -0.34 0.00 0.00 43.02 39.95 2asy s PHE 11 CO 0.23 -0.62 0.00 -1.71 -1.46 0.00 0.00 175.22 171.66 2asy n ASN 12 N -2.35 -2.78 -0.07 6.13 2.85 -1.26 -4.78 115.26 113.00 2asy n ASN 12 Ca 0.03 0.04 -0.07 0.00 -0.11 0.00 0.00 54.58 54.47 2asy n ASN 12 Cb 0.58 -1.69 -0.02 0.00 1.24 0.00 0.00 39.78 39.88 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 -1.43 -0.57 3.95 8.20 0.00 -1.26 -4.90 105.19 109.17 2asy n GLY 13 Ca -0.06 -0.26 -0.25 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 -2.52 1.92 0.39 1.61 0.04 -1.26 -4.45 135.00 130.73 2asy s PRO 14 Ca -0.23 -0.59 0.05 0.00 0.04 0.00 0.00 61.00 60.28 2asy s PRO 14 Cb 0.03 -2.22 0.78 0.00 0.04 0.00 0.00 34.50 33.12 2asy s PRO 14 CO 0.34 -1.36 2.04 0.74 0.04 0.00 0.00 177.00 178.80 2asy h PHE 15 N -0.60 0.60 0.00 0.56 0.04 -1.98 -3.47 116.94 112.09 2asy h PHE 15 Ca -0.42 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.36 2asy h PHE 15 Cb 1.29 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.24 2asy h PHE 15 CO 0.01 0.39 0.00 0.41 -0.60 0.00 0.00 178.31 178.52 2asy n GLY 16 N -1.44 2.70 0.10 -1.45 0.00 -1.26 -4.74 105.19 99.10 2asy n GLY 16 Ca 0.04 -0.52 0.08 0.00 0.00 0.00 0.00 46.02 45.62 2asy n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2asy n ASP 17 N 0.00 0.38 0.16 1.61 9.92 -1.26 -0.51 116.55 126.85 2asy n ASP 17 Ca 0.00 0.65 0.18 0.00 -0.53 0.00 0.00 54.79 55.09 2asy n ASP 17 Cb 0.00 -0.71 0.79 0.00 -0.64 0.00 0.00 41.12 40.56 2asy n ASP 17 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2asy h ALA 18 N 2.09 1.95 0.00 2.24 0.00 -1.94 0.35 119.26 123.95 2asy h ALA 18 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2asy h ALA 18 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2asy h ALA 18 CO 0.00 -0.41 -0.70 -1.33 0.00 0.00 0.00 179.25 176.81 2asy n MET 19 N -3.85 0.37 -0.27 0.00 2.81 0.33 -1.29 117.12 115.23 2asy n MET 19 Ca 0.04 0.15 0.09 0.00 -1.81 0.00 0.00 57.70 56.16 2asy n MET 19 Cb 0.42 -1.16 0.23 0.00 -0.71 0.00 0.00 33.22 31.99 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 -1.29 1.10 0.00 3.04 0.00 -1.41 -0.08 119.26 120.61 2asy h ALA 20 Ca 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2asy h ALA 20 Cb 0.70 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2asy h ALA 20 CO 0.00 -0.37 -1.16 -1.91 0.00 0.00 0.00 179.25 175.81 2asy n GLU 21 N -5.16 3.07 0.05 0.00 0.00 0.35 -4.71 120.64 114.23 2asy n GLU 21 Ca 0.17 -0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.44 2asy n GLU 21 Cb 0.54 -1.06 -0.06 0.00 0.00 0.00 0.00 31.44 30.86 2asy n GLU 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2asy n GLN 22 N -2.02 0.57 -0.24 5.31 1.13 0.96 -4.00 117.38 119.09 2asy n GLN 22 Ca -0.04 -0.01 -0.07 0.00 -1.94 0.00 0.00 57.00 54.94 2asy n GLN 22 Cb 0.51 -1.68 0.04 0.00 0.11 0.00 0.00 30.24 29.22 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 0.97 -0.24 1.08 7.12 0.36 -2.75 115.31 121.86 2asy h LEU 23 Ca 0.00 -0.21 0.05 0.00 0.13 0.00 0.00 57.88 57.85 2asy h LEU 23 Cb 0.95 -0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 40.78 2asy h LEU 23 CO 0.00 0.92 -0.07 0.07 -0.13 0.00 0.00 178.44 179.23 2asy h LYS 24 N 0.97 -0.02 0.00 1.25 2.10 -1.73 0.65 116.57 119.79 2asy h LYS 24 Ca 0.21 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.78 2asy h LYS 24 Cb 0.30 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.62 2asy h LYS 24 CO -0.01 -0.01 -1.00 -1.00 -2.00 0.00 0.00 179.45 175.43 2asy h PRO 25 N -0.02 0.00 0.00 0.07 0.13 -1.79 -3.36 132.00 127.03 2asy h PRO 25 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2asy h PRO 25 Cb 0.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.33 2asy h PRO 25 CO -0.26 0.21 -1.10 1.28 -0.23 0.00 0.00 178.00 177.91 2asy n LEU 26 N -2.90 0.67 -0.20 1.56 4.77 -1.04 -4.58 117.00 115.28 2asy n LEU 26 Ca -0.03 -0.20 -0.02 0.00 -0.03 0.00 0.00 56.01 55.72 2asy n LEU 26 Cb 0.70 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2asy n LEU 26 CO 0.41 0.13 0.27 0.00 -1.33 0.00 0.00 177.39 176.87 2asy n ALA 27 N -1.73 -0.14 0.24 -1.18 0.00 0.23 0.51 120.51 118.45 2asy n ALA 27 Ca 0.02 0.47 0.08 0.00 0.00 0.00 0.00 53.44 54.02 2asy n ALA 27 Cb 0.40 -0.18 0.60 0.00 0.00 0.00 0.00 19.45 20.28 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 -1.85 -0.57 114.58 116.27 2asy h GLU 28 Ca 0.14 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.36 2asy h GLU 28 Cb 0.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2asy h GLU 28 CO -0.48 0.16 -1.28 0.43 0.07 0.00 0.00 179.01 177.91 2asy n SER 29 N -4.02 1.86 -0.03 3.06 7.64 0.18 -3.30 113.62 119.02 2asy n SER 29 Ca -0.02 0.44 -0.13 0.00 1.01 0.00 0.00 58.87 60.17 2asy n SER 29 Cb 0.24 -0.94 -0.11 0.00 -1.01 0.00 0.00 64.21 62.40 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 1.49 0.13 0.44 -0.00 -0.27 -3.36 117.51 114.95 2asy h ILE 30 Ca -0.33 -1.54 -0.32 0.00 -0.00 0.00 0.00 64.86 62.67 2asy h ILE 30 Cb 1.22 2.53 -0.01 0.00 -0.00 0.00 0.00 36.82 40.56 2asy h ILE 30 CO -0.20 0.40 -1.68 0.78 -0.00 0.00 0.00 178.15 177.45 2asy h ASN 31 N -0.68 0.43 -1.19 2.16 2.35 -1.34 -3.48 115.58 113.83 2asy h ASN 31 Ca -0.00 -0.89 -0.34 0.00 -0.55 0.00 0.00 56.30 54.53 2asy h ASN 31 Cb 0.66 -0.14 -0.10 0.00 0.05 0.00 0.00 38.32 38.78 2asy h ASN 31 CO 0.00 1.73 -0.34 1.67 -1.65 0.00 0.00 177.43 178.85 2asy n GLN 32 N -3.73 -1.19 -2.32 0.81 -0.06 -0.58 -4.75 117.38 105.55 2asy n GLN 32 Ca -0.28 1.01 -0.27 0.00 -2.00 0.00 0.00 57.00 55.46 2asy n GLN 32 Cb 0.98 -5.26 0.04 0.00 -4.06 0.00 0.00 30.24 21.93 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 -3.76 2.81 -0.09 3.69 -1.05 -1.26 -5.05 118.70 113.98 2asy s GLU 33 Ca 0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 54.97 54.81 2asy s GLU 33 Cb 0.00 -2.23 -0.01 0.00 -0.44 0.00 0.00 34.13 31.45 2asy s GLU 33 CO 0.00 -0.81 0.07 -1.35 0.95 0.00 0.00 175.26 174.11 2asy h PRO 34 N -0.29 -0.05 0.00 -4.83 0.11 -1.98 -3.47 132.00 121.48 2asy h PRO 34 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2asy h PRO 34 Cb 1.26 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2asy h PRO 34 CO 0.61 -0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.77 2asy n GLY 35 N 1.65 1.66 5.00 -0.55 0.00 -1.26 -4.85 105.19 106.84 2asy n GLY 35 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.02 117.46 119.73 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 -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 -1.89 -3.49 115.31 114.30 2asy h LEU 37 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 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 0.67 0.11 -2.67 -0.00 0.00 0.00 178.44 176.55 2asy n TRP 38 N -4.55 -1.61 -4.61 1.13 4.27 -1.22 -5.04 117.44 105.81 2asy n TRP 38 Ca -0.05 -1.02 -0.31 0.00 -3.89 0.00 0.00 57.50 52.23 2asy n TRP 38 Cb 0.20 0.46 -0.08 0.00 -1.36 0.00 0.00 31.31 30.53 2asy n TRP 38 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 2asy s LYS 39 N -2.11 2.14 -0.18 -2.67 -0.14 -1.26 -4.72 119.74 110.80 2asy s LYS 39 Ca 0.09 -2.26 -0.13 0.00 -1.36 0.00 0.00 55.97 52.32 2asy s LYS 39 Cb -0.02 -1.64 -0.05 0.00 -1.68 0.00 0.00 37.83 34.44 2asy s LYS 39 CO 0.07 -0.29 0.27 0.54 -0.76 0.00 0.00 175.35 175.18 2asy s VAL 40 N -2.81 5.31 -0.74 3.17 0.11 -1.26 -4.91 120.40 119.28 2asy s VAL 40 Ca 0.18 0.48 0.04 0.00 -2.93 0.00 0.00 61.98 59.74 2asy s VAL 40 Cb 0.04 -3.61 0.21 0.00 -1.53 0.00 0.00 36.38 31.49 2asy s VAL 40 CO 0.10 0.37 0.68 -2.67 -3.33 0.00 0.00 175.10 170.25 2asy n TRP 41 N 3.79 3.51 -3.76 1.54 4.27 -1.26 -5.00 117.44 120.53 2asy n TRP 41 Ca -0.12 -4.15 -0.13 0.00 -3.89 0.00 0.00 57.50 49.21 2asy n TRP 41 Cb 0.52 -0.72 -0.11 0.00 -1.36 0.00 0.00 31.31 29.64 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 -1.89 -0.00 -0.29 -1.67 2.01 -1.26 -4.99 115.64 107.54 2asy s THR 42 Ca 0.31 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.34 2asy s THR 42 Cb 0.03 -0.45 0.18 0.00 0.01 0.00 0.00 72.50 72.27 2asy s THR 42 CO -0.09 0.00 0.53 -0.70 -0.69 0.00 0.00 174.62 173.67 2asy s GLU 43 N 0.23 0.51 -0.36 4.92 2.12 -1.26 -3.13 118.70 121.73 2asy s GLU 43 Ca -0.01 0.59 -0.10 0.00 0.36 0.00 0.00 54.97 55.81 2asy s GLU 43 Cb -0.03 0.14 0.02 0.00 0.26 0.00 0.00 34.13 34.53 2asy s GLU 43 CO -0.00 -0.89 0.19 -1.12 -0.54 0.00 0.00 175.26 172.90 2asy s SER 44 N 2.75 5.65 0.11 -1.70 0.01 -0.12 -4.94 113.70 115.46 2asy s SER 44 Ca 0.13 -0.93 0.06 0.00 1.31 0.00 0.00 55.95 56.52 2asy s SER 44 Cb -0.12 -2.00 -0.22 0.00 0.21 0.00 0.00 66.02 63.89 2asy s SER 44 CO -0.24 -0.35 1.26 1.05 0.41 0.00 0.00 173.24 175.37 2asy h GLU 45 N 8.40 0.02 0.00 12.44 4.11 -1.98 -0.35 114.58 137.22 2asy h GLU 45 Ca -0.26 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.13 2asy h GLU 45 Cb 1.11 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2asy h GLU 45 CO 0.65 1.01 -0.85 1.57 0.07 0.00 0.00 179.01 181.46 2asy h LYS 46 N 0.01 0.00 0.00 1.06 -0.00 -1.94 -3.27 116.57 112.43 2asy h LYS 46 Ca -0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 60.65 60.50 2asy h LYS 46 Cb 1.79 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 34.00 2asy h LYS 46 CO 0.13 0.00 -1.67 -1.71 -0.00 0.00 0.00 179.45 176.20 2asy n ASN 47 N -2.55 0.47 -2.63 7.07 5.15 -1.22 -4.97 115.26 116.58 2asy n ASN 47 Ca 0.01 0.20 -0.18 0.00 -0.60 0.00 0.00 54.58 54.01 2asy n ASN 47 Cb 0.52 0.88 0.05 0.00 -0.53 0.00 0.00 39.78 40.69 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 -2.65 -1.88 -3.87 1.20 8.25 -0.17 -4.96 115.22 111.15 2asy n HIS 48 Ca -0.10 0.60 -0.11 0.00 -0.26 0.00 0.00 57.72 57.84 2asy n HIS 48 Cb 0.77 -3.91 -0.11 0.00 1.12 0.00 0.00 29.99 27.86 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 -5.73 0.34 -0.12 -0.41 2.12 -1.05 -0.46 118.70 113.39 2asy s GLU 49 Ca 0.35 -0.22 -0.03 0.00 0.36 0.00 0.00 54.97 55.43 2asy s GLU 49 Cb -0.15 0.14 0.04 0.00 0.26 0.00 0.00 34.13 34.43 2asy s GLU 49 CO 0.43 -0.07 0.04 0.00 -0.54 0.00 0.00 175.26 175.11 2asy s ALA 50 N -0.87 0.69 0.00 6.30 0.00 0.19 -0.95 121.76 127.12 2asy s ALA 50 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2asy s ALA 50 Cb -0.06 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.15 2asy s ALA 50 CO 0.01 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.37 2asy n GLY 51 N 5.16 1.01 0.00 0.00 0.00 -1.18 -1.50 105.19 108.67 2asy n GLY 51 Ca -0.07 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.97 2asy n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2asy n GLY 52 N -1.72 3.07 3.05 -0.02 0.00 -0.22 -4.77 105.19 104.59 2asy n GLY 52 Ca 0.00 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 0.48 0.87 0.38 -0.61 -1.09 -1.26 -0.01 121.20 119.96 2asy s ILE 53 Ca 0.00 -0.46 -0.11 0.00 -2.23 0.00 0.00 60.65 57.85 2asy s ILE 53 Cb 0.00 -0.74 0.04 0.00 -1.58 0.00 0.00 42.46 40.18 2asy s ILE 53 CO 0.00 0.25 0.69 -0.72 -1.23 0.00 0.00 174.94 173.94 2asy s TYR 54 N -0.19 0.44 -0.10 3.97 1.13 0.60 -4.96 117.35 118.25 2asy s TYR 54 Ca 0.03 -0.98 -0.19 0.00 -1.41 0.00 0.00 57.07 54.52 2asy s TYR 54 Cb -0.05 0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 41.32 2asy s TYR 54 CO -0.00 -1.45 0.51 -0.51 -2.51 0.00 0.00 175.55 171.59 2asy s LEU 55 N -3.13 4.29 0.11 -3.49 1.02 -1.26 -0.09 118.68 116.13 2asy s LEU 55 Ca 0.20 0.89 0.09 0.00 0.02 0.00 0.00 54.13 55.33 2asy s LEU 55 Cb -0.04 -2.76 -0.04 0.00 0.02 0.00 0.00 46.19 43.38 2asy s LEU 55 CO 0.15 -0.01 -0.18 0.12 0.02 0.00 0.00 176.35 176.45 2asy s PHE 56 N 0.58 2.54 0.66 0.29 5.36 0.75 -3.39 117.98 124.76 2asy s PHE 56 Ca 0.28 -0.26 0.18 0.00 -0.96 0.00 0.00 56.93 56.16 2asy s PHE 56 Cb -0.16 -1.36 0.92 0.00 -0.34 0.00 0.00 43.02 42.09 2asy s PHE 56 CO 0.12 0.37 1.51 0.00 -1.46 0.00 0.00 175.22 175.77 2asy h THR 57 N 3.58 0.02 -2.40 0.12 1.03 -1.38 -2.22 112.91 111.66 2asy h THR 57 Ca -0.50 0.00 0.22 0.00 -0.01 0.00 0.00 66.41 66.12 2asy h THR 57 Cb 1.17 0.36 -0.04 0.00 -1.07 0.00 0.00 68.15 68.57 2asy h THR 57 CO 0.46 0.00 0.69 -0.67 -0.01 0.00 0.00 175.52 175.99 2asy n ASP 58 N -2.80 -1.53 -0.07 0.00 -0.08 -1.26 -3.68 116.55 107.14 2asy n ASP 58 Ca 0.01 -1.67 -0.09 0.00 -1.51 0.00 0.00 54.79 51.53 2asy n ASP 58 Cb 0.71 2.45 -0.08 0.00 2.34 0.00 0.00 41.12 46.54 2asy n ASP 58 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2asy n GLU 59 N -0.78 1.05 0.14 -0.67 0.28 -1.26 -3.83 120.64 115.56 2asy n GLU 59 Ca 0.00 0.05 -0.01 0.00 -0.16 0.00 0.00 57.16 57.04 2asy n GLU 59 Cb 0.57 -1.30 0.16 0.00 1.43 0.00 0.00 31.44 32.30 2asy n GLU 59 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 2asy h LYS 60 N 0.00 0.00 0.00 3.44 2.10 -2.00 -2.18 116.57 117.93 2asy h LYS 60 Ca -0.33 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.23 2asy h LYS 60 Cb 1.61 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.92 2asy h LYS 60 CO -0.02 0.62 -0.66 0.66 -2.00 0.00 0.00 179.45 178.04 2asy h SER 61 N 0.00 0.00 0.49 7.07 4.64 -1.97 -3.30 113.55 120.48 2asy h SER 61 Ca -0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2asy h SER 61 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2asy h SER 61 CO 0.08 0.36 -0.26 0.00 -0.87 0.00 0.00 176.83 176.15 2asy h ALA 62 N 1.64 -0.69 0.00 5.18 0.00 -1.50 0.23 119.26 124.12 2asy h ALA 62 Ca -0.04 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2asy h ALA 62 Cb 1.31 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2asy h ALA 62 CO 0.04 -0.89 -0.26 1.37 0.00 0.00 0.00 179.25 179.51 2asy h LEU 63 N -0.69 0.00 -0.49 0.00 -0.00 -1.67 -2.36 115.31 110.10 2asy h LEU 63 Ca -0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.65 2asy h LEU 63 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 2asy h LEU 63 CO 0.09 0.26 -0.74 0.00 -0.00 0.00 0.00 178.44 178.05 2asy h ALA 64 N 1.74 0.71 -0.00 0.17 0.00 -1.54 -3.19 119.26 117.14 2asy h ALA 64 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2asy h ALA 64 Cb 0.79 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2asy h ALA 64 CO 0.03 0.85 -0.29 0.66 0.00 0.00 0.00 179.25 180.50 2asy n TYR 65 N -3.74 0.00 -0.20 0.00 4.02 0.76 -3.51 117.16 114.49 2asy n TYR 65 Ca -0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2asy n TYR 65 Cb 0.71 -0.32 0.23 0.00 -0.02 0.00 0.00 39.34 39.94 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 0.10 0.86 -1.33 7.72 8.10 -1.46 -0.92 115.31 128.37 2asy h LEU 66 Ca 0.00 -0.05 -0.07 0.00 0.11 0.00 0.00 57.88 57.87 2asy h LEU 66 Cb 0.49 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.48 2asy h LEU 66 CO 0.00 0.66 -0.33 -0.08 -4.11 0.00 0.00 178.44 174.58 2asy h GLU 67 N 0.99 0.00 0.27 0.17 4.22 -1.75 0.50 114.58 118.97 2asy h GLU 67 Ca 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.69 2asy h GLU 67 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2asy h GLU 67 CO -0.05 0.33 -0.13 -0.22 -2.18 0.00 0.00 179.01 176.76 2asy h LYS 68 N 0.00 -0.34 -0.15 1.92 1.63 -1.33 0.48 116.57 118.79 2asy h LYS 68 Ca -0.00 0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.77 2asy h LYS 68 Cb 0.62 0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.33 2asy h LYS 68 CO 0.04 -0.17 -0.09 0.45 -3.45 0.00 0.00 179.45 176.23 2asy h HIS 69 N -0.44 0.38 -0.86 1.91 3.86 -0.96 -2.90 115.15 116.13 2asy h HIS 69 Ca -0.04 -0.10 0.11 0.00 -1.16 0.00 0.00 60.37 59.18 2asy h HIS 69 Cb 0.33 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 28.66 2asy h HIS 69 CO -0.04 0.67 0.56 1.15 0.86 0.00 0.00 177.93 181.13 2asy h THR 70 N -0.02 0.93 -0.20 2.45 2.02 0.03 -1.96 112.91 116.15 2asy h THR 70 Ca 0.03 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 67.00 2asy h THR 70 Cb 0.58 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2asy h THR 70 CO 0.03 0.15 0.37 0.00 0.37 0.00 0.00 175.52 176.43 2asy h ALA 71 N 1.58 1.73 0.00 6.16 0.00 0.20 0.83 119.26 129.75 2asy h ALA 71 Ca 0.41 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 2asy h ALA 71 Cb 0.49 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2asy h ALA 71 CO -0.17 -0.48 -0.58 0.00 0.00 0.00 0.00 179.25 178.02 2asy h ARG 72 N 0.00 0.00 0.00 0.00 -0.00 -1.47 -3.34 114.38 109.56 2asy h ARG 72 Ca 0.10 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.49 2asy h ARG 72 Cb 0.84 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.80 2asy h ARG 72 CO -0.00 0.81 -0.43 1.37 0.00 0.00 0.00 179.97 181.72 2asy h LEU 73 N -1.00 0.00 -1.47 3.04 8.10 -1.03 0.12 115.31 123.07 2asy h LEU 73 Ca -0.15 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.79 2asy h LEU 73 Cb 0.99 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.20 2asy h LEU 73 CO -0.09 0.43 -0.24 0.07 -4.11 0.00 0.00 178.44 174.50 2asy h LYS 74 N 0.00 0.03 0.00 0.17 2.10 0.46 0.36 116.57 119.69 2asy h LYS 74 Ca -0.00 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 2asy h LYS 74 Cb 1.32 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2asy h LYS 74 CO 0.06 0.28 -0.18 -0.97 -2.00 0.00 0.00 179.45 176.63 2asy h ASN 75 N 0.03 0.00 -0.00 7.07 -1.24 -1.60 -3.43 115.58 116.41 2asy h ASN 75 Ca 0.00 -0.17 0.00 0.00 0.71 0.00 0.00 56.30 56.85 2asy h ASN 75 Cb 0.45 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.50 2asy h ASN 75 CO 0.03 0.68 -0.20 0.00 -1.29 0.00 0.00 177.43 176.65 2asy n LEU 76 N -4.70 0.54 0.00 0.34 -0.00 -0.00 -4.96 117.00 108.22 2asy n LEU 76 Ca -0.05 -0.61 0.00 0.00 -0.00 0.00 0.00 56.01 55.35 2asy n LEU 76 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 2asy n LEU 76 CO 0.08 0.12 0.00 0.61 -0.00 0.00 0.00 177.39 178.20 2asy n GLY 77 N 0.96 0.43 0.01 1.47 0.00 0.11 -4.66 105.19 103.51 2asy n GLY 77 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.15 -4.40 118.33 118.53 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 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.72 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 -1.01 0.00 -3.60 1.45 1.02 -1.26 -4.85 120.64 112.39 2asy n GLU 79 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 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 1.09 -0.11 3.49 2.02 -1.26 -4.01 118.70 119.91 2asy s GLU 80 Ca 0.00 -0.61 -0.18 0.00 0.02 0.00 0.00 54.97 54.20 2asy s GLU 80 Cb 0.00 0.48 -0.04 0.00 0.10 0.00 0.00 34.13 34.67 2asy s GLU 80 CO 0.00 -0.43 0.47 0.54 0.02 0.00 0.00 175.26 175.86 2asy s VAL 81 N -3.60 5.17 -0.49 2.63 0.11 -1.26 -4.63 120.40 118.33 2asy s VAL 81 Ca 0.01 0.93 -0.29 0.00 -2.93 0.00 0.00 61.98 59.71 2asy s VAL 81 Cb 0.01 -3.80 0.03 0.00 -1.53 0.00 0.00 36.38 31.09 2asy s VAL 81 CO -0.11 0.35 1.15 -0.69 -3.33 0.00 0.00 175.10 172.48 2asy s VAL 82 N 0.45 4.17 -0.07 2.04 1.01 0.11 -4.86 120.40 123.25 2asy s VAL 82 Ca 0.25 1.17 -0.00 0.00 0.00 0.00 0.00 61.98 63.40 2asy s VAL 82 Cb -0.15 -4.62 0.02 0.00 0.00 0.00 0.00 36.38 31.64 2asy s VAL 82 CO 0.10 -1.06 -0.03 0.00 0.00 0.00 0.00 175.10 174.12 2asy s ALA 83 N 4.56 0.79 0.14 5.51 0.00 -1.25 -1.84 121.76 129.67 2asy s ALA 83 Ca 0.48 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.23 2asy s ALA 83 Cb -0.07 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 2asy s ALA 83 CO 0.31 -0.26 0.14 0.15 0.00 0.00 0.00 175.76 176.10 2asy s LYS 84 N 1.48 0.99 -0.07 0.00 3.01 -1.21 -4.89 119.74 119.05 2asy s LYS 84 Ca -0.02 -1.30 0.01 0.00 -1.01 0.00 0.00 55.97 53.65 2asy s LYS 84 Cb -0.13 0.30 -0.03 0.00 -1.01 0.00 0.00 37.83 36.95 2asy s LYS 84 CO -0.03 -0.31 -0.07 0.08 0.51 0.00 0.00 175.35 175.52 2asy s VAL 85 N -4.00 3.64 0.37 3.17 1.01 -1.26 -0.33 120.40 122.99 2asy s VAL 85 Ca 0.20 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.75 2asy s VAL 85 Cb 0.06 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 2asy s VAL 85 CO -0.00 0.59 0.44 -0.36 0.00 0.00 0.00 175.10 175.77 2asy s PHE 86 N -0.70 2.94 -0.28 5.22 0.08 -1.17 -5.01 117.98 119.04 2asy s PHE 86 Ca 0.11 -0.32 -0.05 0.00 0.12 0.00 0.00 56.93 56.78 2asy s PHE 86 Cb -0.11 -2.07 0.01 0.00 -0.57 0.00 0.00 43.02 40.28 2asy s PHE 86 CO 0.02 -0.09 0.04 -0.51 -0.10 0.00 0.00 175.22 174.58 2asy s ASP 87 N -4.17 4.92 0.03 1.36 1.11 -1.26 -4.83 116.67 113.83 2asy s ASP 87 Ca 0.47 -0.76 -0.30 0.00 0.18 0.00 0.00 52.55 52.14 2asy s ASP 87 Cb -0.08 -1.82 -0.07 0.00 1.07 0.00 0.00 42.92 42.02 2asy s ASP 87 CO 0.30 -0.18 1.57 0.68 1.18 0.00 0.00 175.17 178.73 2asy s VAL 88 N 1.45 3.32 -0.11 -1.27 -7.23 -1.26 -4.97 120.40 110.33 2asy s VAL 88 Ca 0.02 0.71 -0.13 0.00 -1.81 0.00 0.00 61.98 60.77 2asy s VAL 88 Cb -0.17 -3.45 -0.05 0.00 0.56 0.00 0.00 36.38 33.27 2asy s VAL 88 CO 0.01 -0.01 0.30 0.21 -0.31 0.00 0.00 175.10 175.30 2asy s ASN 89 N 2.35 6.53 -0.14 4.85 3.84 -1.26 -5.02 114.94 126.08 2asy s ASN 89 Ca 0.71 0.63 -0.20 0.00 0.21 0.00 0.00 52.86 54.21 2asy s ASN 89 Cb -0.36 -2.18 -0.17 0.00 -0.55 0.00 0.00 41.25 37.98 2asy s ASN 89 CO 0.30 0.21 0.43 -0.33 -2.79 0.00 0.00 177.10 174.92 2asy h GLU 90 N 5.86 0.00 -0.13 0.43 4.39 -1.99 -3.31 114.58 119.83 2asy h GLU 90 Ca -0.46 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.28 2asy h GLU 90 Cb 1.19 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.78 2asy h GLU 90 CO 0.69 0.71 -0.24 -1.00 -1.16 0.00 0.00 179.01 178.01 2asy h PRO 91 N -1.00 -0.29 0.00 2.33 0.13 -2.04 -1.73 132.00 129.40 2asy h PRO 91 Ca -0.07 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2asy h PRO 91 Cb 0.81 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2asy h PRO 91 CO -0.04 -0.20 0.00 1.28 -0.23 0.00 0.00 178.00 178.81 2asy n LEU 92 N -5.37 0.06 0.03 1.56 4.77 -1.26 -2.35 117.00 114.45 2asy n LEU 92 Ca -0.03 0.51 0.09 0.00 -0.03 0.00 0.00 56.01 56.56 2asy n LEU 92 Cb 0.28 -0.50 0.40 0.00 -2.33 0.00 0.00 43.42 41.27 2asy n LEU 92 CO 0.18 -0.26 0.80 -0.24 -1.33 0.00 0.00 177.39 176.54 2asy n SER 93 N -1.56 0.19 0.18 -1.43 2.88 -0.65 -1.69 113.62 111.54 2asy n SER 93 Ca 0.04 0.54 0.05 0.00 -1.33 0.00 0.00 58.87 58.17 2asy n SER 93 Cb 0.19 -0.58 0.29 0.00 -0.75 0.00 0.00 64.21 63.36 2asy n SER 93 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2asy h GLN 94 N 0.00 0.00 -0.02 -1.46 4.20 -1.55 -2.81 115.11 113.47 2asy h GLN 94 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2asy h GLN 94 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2asy h GLN 94 CO 0.00 0.40 -0.06 -0.89 -0.67 0.00 0.00 178.83 177.61 2asy n ILE 95 N -3.48 0.00 0.16 2.54 -0.00 -0.68 -3.18 119.36 114.72 2asy n ILE 95 Ca 0.00 -0.27 0.05 0.00 -0.00 0.00 0.00 62.75 62.53 2asy n ILE 95 Cb 0.54 0.66 0.07 0.00 -0.00 0.00 0.00 39.64 40.92 2asy n ILE 95 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.55 175.42 2asy h ASN 96 N 2.53 0.00 -0.15 4.38 -1.24 -1.53 -3.37 115.58 116.19 2asy h ASN 96 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.91 2asy h ASN 96 Cb 0.58 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.59 2asy h ASN 96 CO 0.00 0.37 0.13 0.00 -1.29 0.00 0.00 177.43 176.64 2asy n GLN 97 N -3.20 1.26 -0.00 6.67 6.02 -1.19 -2.64 117.38 124.30 2asy n GLN 97 Ca 0.02 -0.50 -0.01 0.00 -0.01 0.00 0.00 57.00 56.50 2asy n GLN 97 Cb 0.67 -1.20 -0.00 0.00 1.02 0.00 0.00 30.24 30.73 2asy n GLN 97 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2asy n ALA 98 N 1.10 1.51 0.00 -1.58 0.00 -1.26 -4.47 120.51 115.81 2asy n ALA 98 Ca 0.10 -0.16 -0.17 0.00 0.00 0.00 0.00 53.44 53.20 2asy n ALA 98 Cb 0.53 0.02 -0.13 0.00 0.00 0.00 0.00 19.45 19.87 2asy n ALA 98 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2asy h LYS 99 N -0.06 0.23 -0.96 0.00 1.63 -1.88 -3.24 116.57 112.29 2asy h LYS 99 Ca 0.00 -0.32 -0.04 0.00 -0.85 0.00 0.00 60.65 59.44 2asy h LYS 99 Cb 0.06 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 2asy h LYS 99 CO 0.00 1.09 0.05 1.28 -3.45 0.00 0.00 179.45 178.42 2asy n LEU 100 N -4.32 2.60 -0.33 5.20 4.77 -1.08 -5.20 117.00 118.63 2asy n LEU 100 Ca -0.11 -1.32 0.15 0.00 -0.03 0.00 0.00 56.01 54.69 2asy n LEU 100 Cb 0.65 -0.54 0.66 0.00 -2.33 0.00 0.00 43.42 41.87 2asy n LEU 100 CO 0.43 0.44 0.95 0.00 -1.33 0.00 0.00 177.39 177.88