#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 -0.82 -1.77 3.04 0.00 -1.22 -4.97 120.51 114.77 2asy n ALA 2 Ca 0.00 0.24 -0.39 0.00 0.00 0.00 0.00 53.44 53.30 2asy n ALA 2 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 19.45 16.12 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 -3.09 3.07 -0.25 0.00 2.01 -0.69 -4.78 115.64 111.91 2asy s THR 3 Ca 0.23 0.93 -0.08 0.00 0.31 0.00 0.00 61.69 63.08 2asy s THR 3 Cb -0.10 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 2asy s THR 3 CO 0.28 0.11 0.09 -0.22 -0.69 0.00 0.00 174.62 174.20 2asy s LEU 4 N -2.37 3.60 0.11 4.42 2.96 -1.26 0.39 118.68 126.54 2asy s LEU 4 Ca 0.56 -0.13 0.07 0.00 -0.22 0.00 0.00 54.13 54.41 2asy s LEU 4 Cb -0.32 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 2asy s LEU 4 CO 0.41 -0.01 -0.18 -1.48 -1.32 0.00 0.00 176.35 173.77 2asy s LEU 5 N 1.48 2.34 -0.03 -0.68 2.34 0.67 -4.18 118.68 120.63 2asy s LEU 5 Ca 0.06 -0.72 -0.26 0.00 0.06 0.00 0.00 54.13 53.27 2asy s LEU 5 Cb -0.15 -0.76 -0.04 0.00 -0.56 0.00 0.00 46.19 44.68 2asy s LEU 5 CO 0.05 -0.01 0.80 -1.10 -1.06 0.00 0.00 176.35 175.03 2asy s GLN 6 N -2.15 4.49 -0.28 1.48 -0.21 0.04 -0.46 119.66 122.58 2asy s GLN 6 Ca 0.07 1.09 0.00 0.00 0.02 0.00 0.00 55.36 56.54 2asy s GLN 6 Cb -0.08 -3.44 0.15 0.00 1.00 0.00 0.00 33.01 30.63 2asy s GLN 6 CO 0.04 0.06 0.37 -1.17 -2.12 0.00 0.00 175.29 172.47 2asy s LEU 7 N 0.73 -0.58 0.17 2.90 1.98 0.66 -2.92 118.68 121.62 2asy s LEU 7 Ca 0.42 -0.37 -0.18 0.00 -2.89 0.00 0.00 54.13 51.12 2asy s LEU 7 Cb -0.19 0.92 0.04 0.00 0.66 0.00 0.00 46.19 47.61 2asy s LEU 7 CO 0.22 -0.35 0.50 -1.38 -1.89 0.00 0.00 176.35 173.45 2asy s HIS 8 N 2.49 -0.19 0.27 5.38 -3.43 -0.73 -1.41 115.29 117.66 2asy s HIS 8 Ca 0.10 -0.13 -0.16 0.00 -0.80 0.00 0.00 55.06 54.08 2asy s HIS 8 Cb -0.13 0.38 0.01 0.00 -1.43 0.00 0.00 32.58 31.40 2asy s HIS 8 CO -0.28 -0.85 0.58 -0.59 -2.00 0.00 0.00 174.74 171.61 2asy s PHE 9 N -3.84 0.17 0.54 0.38 -0.71 -1.10 0.20 117.98 113.63 2asy s PHE 9 Ca 0.06 -0.58 -0.19 0.00 -1.04 0.00 0.00 56.93 55.18 2asy s PHE 9 Cb -0.00 0.41 -0.06 0.00 -1.21 0.00 0.00 43.02 42.15 2asy s PHE 9 CO -0.07 -1.12 1.08 0.00 -1.34 0.00 0.00 175.22 173.78 2asy s ALA 10 N -3.85 2.75 0.65 1.99 0.00 -1.26 -0.08 121.76 121.96 2asy s ALA 10 Ca 0.18 0.67 -0.09 0.00 0.00 0.00 0.00 51.96 52.72 2asy s ALA 10 Cb -0.03 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2asy s ALA 10 CO 0.09 -0.63 1.01 0.12 0.00 0.00 0.00 175.76 176.34 2asy s PHE 11 N -1.97 3.31 -0.38 0.00 5.36 0.78 -3.94 117.98 121.14 2asy s PHE 11 Ca 0.69 0.88 0.00 0.00 -0.96 0.00 0.00 56.93 57.55 2asy s PHE 11 Cb -0.20 -2.90 0.00 0.00 -0.34 0.00 0.00 43.02 39.58 2asy s PHE 11 CO 0.26 -0.99 0.00 -1.71 -1.46 0.00 0.00 175.22 171.32 2asy n ASN 12 N -2.80 -3.48 -0.06 6.13 4.05 -1.26 -4.83 115.26 113.00 2asy n ASN 12 Ca 0.06 0.09 -0.05 0.00 0.45 0.00 0.00 54.58 55.13 2asy n ASN 12 Cb 0.57 -1.30 -0.02 0.00 1.23 0.00 0.00 39.78 40.26 2asy n ASN 12 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2asy n GLY 13 N -2.49 -0.76 3.92 8.20 0.00 -1.25 -4.77 105.19 108.04 2asy n GLY 13 Ca -0.04 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.14 2.72 0.47 1.61 0.04 -1.26 -4.17 135.00 132.26 2asy s PRO 14 Ca -0.15 -0.13 0.17 0.00 0.04 0.00 0.00 61.00 60.93 2asy s PRO 14 Cb 0.02 -2.27 1.10 0.00 0.04 0.00 0.00 34.50 33.40 2asy s PRO 14 CO 0.22 -0.83 2.02 0.74 0.04 0.00 0.00 177.00 179.20 2asy h PHE 15 N -0.25 0.00 0.00 0.56 0.04 -1.97 -3.47 116.94 111.85 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 0.43 0.16 0.00 0.41 -0.60 0.00 0.00 178.31 178.71 2asy n GLY 16 N -0.99 3.78 0.31 -1.45 0.00 -1.26 -4.81 105.19 100.77 2asy n GLY 16 Ca -0.02 -0.77 0.21 0.00 0.00 0.00 0.00 46.02 45.43 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 2.00 0.00 -0.87 1.61 5.19 -1.98 -0.90 116.42 121.47 2asy h ASP 17 Ca 0.00 0.00 0.22 0.00 -0.62 0.00 0.00 57.03 56.63 2asy h ASP 17 Cb 0.00 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 2asy h ASP 17 CO 0.00 0.00 0.60 0.00 -3.12 0.00 0.00 179.24 176.72 2asy h ALA 18 N 2.00 2.51 0.00 3.45 0.00 -1.92 0.14 119.26 125.45 2asy h ALA 18 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2asy h ALA 18 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2asy h ALA 18 CO 0.00 -0.78 -0.87 0.52 0.00 0.00 0.00 179.25 178.13 2asy h MET 19 N 0.19 0.00 0.10 0.00 2.86 -1.48 0.13 114.93 116.74 2asy h MET 19 Ca 0.43 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 58.08 2asy h MET 19 Cb 1.40 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.02 2asy h MET 19 CO -0.09 0.64 -0.43 0.00 1.06 0.00 0.00 176.91 178.09 2asy h ALA 20 N -0.64 -0.92 0.00 6.32 0.00 -1.29 -3.23 119.26 119.50 2asy h ALA 20 Ca -0.20 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2asy h ALA 20 Cb 0.97 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2asy h ALA 20 CO -0.12 -1.02 -0.33 0.39 0.00 0.00 0.00 179.25 178.17 2asy n GLU 21 N -4.87 3.89 -0.10 0.00 -0.58 0.01 -4.69 120.64 114.30 2asy n GLU 21 Ca -0.07 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.76 2asy n GLU 21 Cb 0.33 -0.62 0.14 0.00 -0.57 0.00 0.00 31.44 30.72 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 -1.00 1.98 -0.12 3.49 1.13 0.27 -4.33 117.38 118.81 2asy n GLN 22 Ca 0.00 -1.87 -0.23 0.00 -1.94 0.00 0.00 57.00 52.96 2asy n GLN 22 Cb 0.00 -1.39 -0.09 0.00 0.11 0.00 0.00 30.24 28.87 2asy n GLN 22 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2asy n LEU 23 N 1.09 1.91 -0.21 1.08 -0.00 0.47 -3.76 117.00 117.58 2asy n LEU 23 Ca 0.14 0.39 0.00 0.00 -0.00 0.00 0.00 56.01 56.54 2asy n LEU 23 Cb 0.49 -0.87 0.08 0.00 -0.00 0.00 0.00 43.42 43.11 2asy n LEU 23 CO 0.12 0.31 0.77 0.07 -0.00 0.00 0.00 177.39 178.66 2asy h LYS 24 N -1.00 0.03 0.00 1.96 2.10 -1.75 0.31 116.57 118.22 2asy h LYS 24 Ca -0.46 -0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.13 2asy h LYS 24 Cb 1.36 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.67 2asy h LYS 24 CO -0.28 0.02 -1.53 -0.35 -2.00 0.00 0.00 179.45 175.32 2asy n PRO 25 N -5.39 0.63 0.00 0.07 -0.04 -1.26 -4.43 135.00 124.59 2asy n PRO 25 Ca 0.08 0.03 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 2asy n PRO 25 Cb 0.34 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.08 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 -2.59 1.72 -0.29 1.53 4.77 -1.06 -4.57 117.00 116.51 2asy n LEU 26 Ca -0.06 -0.71 0.10 0.00 -0.03 0.00 0.00 56.01 55.32 2asy n LEU 26 Cb 0.67 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 42.00 2asy n LEU 26 CO 0.43 0.33 0.88 0.00 -1.33 0.00 0.00 177.39 177.70 2asy h ALA 27 N 3.43 1.08 0.00 -1.18 0.00 -0.57 0.54 119.26 122.56 2asy h ALA 27 Ca 0.00 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2asy h ALA 27 Cb 0.65 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2asy h ALA 27 CO 0.00 -0.46 -0.01 1.05 0.00 0.00 0.00 179.25 179.83 2asy h GLU 28 N 0.15 0.00 0.00 0.00 4.11 -1.80 0.85 114.58 117.88 2asy h GLU 28 Ca 0.51 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.67 2asy h GLU 28 Cb 0.99 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 2asy h GLU 28 CO -0.69 0.01 -1.87 0.45 0.07 0.00 0.00 179.01 176.98 2asy n SER 29 N -3.14 1.82 0.20 3.06 2.88 0.15 -3.55 113.62 115.04 2asy n SER 29 Ca -0.01 0.31 -0.14 0.00 -1.33 0.00 0.00 58.87 57.70 2asy n SER 29 Cb 0.18 -0.73 -0.08 0.00 -0.75 0.00 0.00 64.21 62.83 2asy n SER 29 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 2asy h ILE 30 N -0.91 0.58 0.07 2.46 -0.00 -0.37 -3.29 117.51 116.04 2asy h ILE 30 Ca -0.41 -0.49 -0.31 0.00 -0.00 0.00 0.00 64.86 63.65 2asy h ILE 30 Cb 1.32 0.80 -0.03 0.00 -0.00 0.00 0.00 36.82 38.92 2asy h ILE 30 CO -0.25 0.09 -1.72 0.78 -0.00 0.00 0.00 178.15 177.04 2asy h ASN 31 N -0.81 0.22 -0.55 2.16 2.35 -1.63 -3.48 115.58 113.84 2asy h ASN 31 Ca -0.05 -0.41 -0.23 0.00 -0.55 0.00 0.00 56.30 55.05 2asy h ASN 31 Cb 0.53 -0.07 -0.09 0.00 0.05 0.00 0.00 38.32 38.74 2asy h ASN 31 CO 0.09 1.36 -0.21 1.67 -1.65 0.00 0.00 177.43 178.69 2asy n GLN 32 N -3.28 -0.80 -2.42 0.81 -0.06 0.24 -4.60 117.38 107.28 2asy n GLN 32 Ca -0.21 0.90 -0.37 0.00 -2.00 0.00 0.00 57.00 55.33 2asy n GLN 32 Cb 1.04 -4.89 -0.03 0.00 -4.06 0.00 0.00 30.24 22.31 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 -2.97 4.08 -0.02 3.69 -1.05 -1.22 -4.92 118.70 116.29 2asy s GLU 33 Ca 0.00 1.66 -0.21 0.00 -0.15 0.00 0.00 54.97 56.28 2asy s GLU 33 Cb 0.00 -2.59 -0.12 0.00 -0.44 0.00 0.00 34.13 30.98 2asy s GLU 33 CO 0.00 -0.25 0.89 -1.35 0.95 0.00 0.00 175.26 175.50 2asy h PRO 34 N 2.52 -0.62 -5.25 -4.83 0.11 -1.94 -3.40 132.00 118.60 2asy h PRO 34 Ca -0.48 0.04 -0.27 0.00 0.11 0.00 0.00 66.00 65.40 2asy h PRO 34 Cb 1.23 0.14 0.16 0.00 0.11 0.00 0.00 31.00 32.64 2asy h PRO 34 CO 0.62 -0.35 -0.72 0.41 -0.21 0.00 0.00 178.00 177.75 2asy n GLY 35 N -0.03 -0.54 0.34 -0.55 0.00 -1.26 -4.91 105.19 98.24 2asy n GLY 35 Ca -0.09 0.22 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 2asy n GLY 35 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2asy h PHE 36 N -1.43 1.09 0.00 1.61 3.57 -1.93 -3.32 116.94 116.53 2asy h PHE 36 Ca -0.54 0.03 0.00 0.00 3.53 0.00 0.00 57.97 60.99 2asy h PHE 36 Cb 1.29 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2asy h PHE 36 CO 0.35 0.60 -0.71 1.28 -2.23 0.00 0.00 178.31 177.60 2asy n LEU 37 N -4.54 1.40 0.00 0.59 7.99 -1.26 -5.01 117.00 116.17 2asy n LEU 37 Ca 0.12 0.24 -0.08 0.00 -0.01 0.00 0.00 56.01 56.28 2asy n LEU 37 Cb 0.13 -0.66 -0.01 0.00 -0.11 0.00 0.00 43.42 42.76 2asy n LEU 37 CO 0.33 -0.34 0.14 -2.67 -1.51 0.00 0.00 177.39 173.34 2asy n TRP 38 N -3.91 -1.19 -4.54 -1.77 4.27 -1.23 -5.05 117.44 104.02 2asy n TRP 38 Ca -0.10 -1.33 -0.26 0.00 -3.89 0.00 0.00 57.50 51.91 2asy n TRP 38 Cb 0.37 0.37 -0.08 0.00 -1.36 0.00 0.00 31.31 30.61 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 -2.39 1.96 -0.22 -2.67 2.20 -1.26 -4.56 119.74 112.79 2asy s LYS 39 Ca 0.16 -2.20 -0.20 0.00 -0.36 0.00 0.00 55.97 53.36 2asy s LYS 39 Cb -0.01 -0.73 -0.02 0.00 -1.51 0.00 0.00 37.83 35.55 2asy s LYS 39 CO 0.11 -0.46 0.63 0.54 -0.36 0.00 0.00 175.35 175.81 2asy s VAL 40 N -3.17 5.01 -0.66 4.02 0.11 -1.26 -4.87 120.40 119.58 2asy s VAL 40 Ca 0.22 1.15 0.06 0.00 -2.93 0.00 0.00 61.98 60.48 2asy s VAL 40 Cb 0.03 -3.94 0.24 0.00 -1.53 0.00 0.00 36.38 31.18 2asy s VAL 40 CO 0.13 0.08 0.75 -2.67 -3.33 0.00 0.00 175.10 170.06 2asy n TRP 41 N 5.33 3.59 -3.86 1.54 4.27 -1.26 -5.00 117.44 122.05 2asy n TRP 41 Ca -0.01 -4.13 -0.12 0.00 -3.89 0.00 0.00 57.50 49.35 2asy n TRP 41 Cb 0.49 -0.59 -0.14 0.00 -1.36 0.00 0.00 31.31 29.71 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 0.00 -0.28 -1.67 2.01 -1.26 -4.97 115.64 107.09 2asy s THR 42 Ca 0.38 -0.01 -0.10 0.00 0.31 0.00 0.00 61.69 62.27 2asy s THR 42 Cb 0.12 -0.06 0.12 0.00 0.01 0.00 0.00 72.50 72.69 2asy s THR 42 CO -0.02 -0.01 0.60 -0.70 -0.69 0.00 0.00 174.62 173.80 2asy s GLU 43 N -0.00 0.53 -0.31 4.92 2.12 -1.26 -3.38 118.70 121.31 2asy s GLU 43 Ca -0.00 1.34 -0.01 0.00 0.36 0.00 0.00 54.97 56.66 2asy s GLU 43 Cb -0.00 0.69 0.10 0.00 0.26 0.00 0.00 34.13 35.18 2asy s GLU 43 CO 0.00 -0.21 0.12 0.45 -0.54 0.00 0.00 175.26 175.08 2asy s SER 44 N 2.71 3.86 0.14 -1.70 0.15 -0.08 -4.98 113.70 113.81 2asy s SER 44 Ca -0.06 -1.64 -0.03 0.00 0.70 0.00 0.00 55.95 54.93 2asy s SER 44 Cb -0.11 -0.74 -0.07 0.00 -1.71 0.00 0.00 66.02 63.39 2asy s SER 44 CO -0.18 -0.41 1.33 1.05 1.20 0.00 0.00 173.24 176.23 2asy h GLU 45 N 8.04 0.37 -0.30 5.44 9.09 -1.95 0.50 114.58 135.77 2asy h GLU 45 Ca -0.14 -0.39 -0.06 0.00 0.05 0.00 0.00 59.36 58.82 2asy h GLU 45 Cb 1.01 0.11 -0.02 0.00 -1.65 0.00 0.00 28.75 28.20 2asy h GLU 45 CO 0.46 1.07 -0.06 1.57 0.05 0.00 0.00 179.01 182.09 2asy h LYS 46 N 0.21 0.48 0.00 1.06 -0.00 -1.93 -1.79 116.57 114.60 2asy h LYS 46 Ca -0.07 -0.12 0.00 0.00 -0.00 0.00 0.00 60.65 60.46 2asy h LYS 46 Cb 1.55 -0.06 0.00 0.00 -0.00 0.00 0.00 32.23 33.71 2asy h LYS 46 CO 0.16 0.56 -0.94 -1.71 -0.00 0.00 0.00 179.45 177.51 2asy n ASN 47 N -4.25 0.75 -1.92 7.07 2.85 -1.21 -4.96 115.26 113.59 2asy n ASN 47 Ca 0.01 0.18 -0.11 0.00 -0.11 0.00 0.00 54.58 54.55 2asy n ASN 47 Cb 0.28 0.47 0.04 0.00 1.24 0.00 0.00 39.78 41.80 2asy n ASN 47 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2asy n HIS 48 N -2.41 -1.32 -4.01 1.20 8.25 -0.24 -4.98 115.22 111.71 2asy n HIS 48 Ca 0.01 0.46 -0.13 0.00 -0.26 0.00 0.00 57.72 57.80 2asy n HIS 48 Cb 0.50 -2.86 -0.14 0.00 1.12 0.00 0.00 29.99 28.61 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 -5.58 0.24 -0.26 -0.41 2.12 0.00 -0.15 118.70 114.66 2asy s GLU 49 Ca 0.26 -0.19 -0.02 0.00 0.36 0.00 0.00 54.97 55.37 2asy s GLU 49 Cb -0.12 -0.17 0.08 0.00 0.26 0.00 0.00 34.13 34.18 2asy s GLU 49 CO 0.33 0.04 0.08 0.00 -0.54 0.00 0.00 175.26 175.18 2asy s ALA 50 N -0.30 1.09 0.00 6.30 0.00 0.89 -0.90 121.76 128.84 2asy s ALA 50 Ca -0.02 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.83 2asy s ALA 50 Cb -0.03 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.72 2asy s ALA 50 CO -0.00 -1.46 0.00 0.41 0.00 0.00 0.00 175.76 174.71 2asy n GLY 51 N 5.03 3.58 0.00 0.00 0.00 -1.22 -2.69 105.19 109.89 2asy n GLY 51 Ca -0.06 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.78 3.75 2.89 -0.02 0.00 -0.50 -4.74 105.19 104.79 2asy n GLY 52 Ca 0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 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 2.63 0.37 0.25 -0.61 -1.09 -1.26 -0.24 121.20 121.24 2asy s ILE 53 Ca 0.00 -0.08 -0.10 0.00 -2.23 0.00 0.00 60.65 58.24 2asy s ILE 53 Cb 0.00 -0.39 -0.01 0.00 -1.58 0.00 0.00 42.46 40.48 2asy s ILE 53 CO 0.00 0.16 0.42 -0.72 -1.23 0.00 0.00 174.94 173.57 2asy s TYR 54 N 0.61 0.56 -0.13 3.97 1.13 0.39 -4.92 117.35 118.96 2asy s TYR 54 Ca -0.07 -0.89 -0.26 0.00 -1.41 0.00 0.00 57.07 54.44 2asy s TYR 54 Cb -0.10 0.04 -0.02 0.00 -1.10 0.00 0.00 41.96 40.78 2asy s TYR 54 CO -0.01 -0.94 0.86 -0.51 -2.51 0.00 0.00 175.55 172.44 2asy s LEU 55 N -3.06 4.22 0.12 -3.49 1.02 -1.25 -0.24 118.68 116.00 2asy s LEU 55 Ca 0.26 1.28 0.07 0.00 0.02 0.00 0.00 54.13 55.76 2asy s LEU 55 Cb 0.01 -3.30 -0.04 0.00 0.02 0.00 0.00 46.19 42.88 2asy s LEU 55 CO 0.10 -0.36 -0.09 0.12 0.02 0.00 0.00 176.35 176.15 2asy s PHE 56 N 1.85 2.75 0.56 0.29 5.36 0.16 -3.48 117.98 125.47 2asy s PHE 56 Ca 0.41 -0.16 0.35 0.00 -0.96 0.00 0.00 56.93 56.58 2asy s PHE 56 Cb -0.17 -1.42 1.49 0.00 -0.34 0.00 0.00 43.02 42.58 2asy s PHE 56 CO 0.15 0.45 1.76 0.00 -1.46 0.00 0.00 175.22 176.12 2asy h THR 57 N 3.11 0.33 -2.89 0.12 1.03 -1.95 -1.82 112.91 110.84 2asy h THR 57 Ca -0.48 0.00 0.07 0.00 -0.01 0.00 0.00 66.41 65.99 2asy h THR 57 Cb 1.17 0.38 -0.07 0.00 -1.07 0.00 0.00 68.15 68.57 2asy h THR 57 CO 0.53 0.00 0.27 -1.81 -0.01 0.00 0.00 175.52 174.50 2asy s ASP 58 N -4.93 -0.30 -0.25 0.00 1.01 -1.26 -0.48 116.67 110.46 2asy s ASP 58 Ca -0.05 -0.47 -0.12 0.00 0.71 0.00 0.00 52.55 52.62 2asy s ASP 58 Cb 0.21 0.67 -0.16 0.00 1.01 0.00 0.00 42.92 44.65 2asy s ASP 58 CO 0.73 -1.21 -0.15 -1.84 0.21 0.00 0.00 175.17 172.91 2asy n GLU 59 N -0.44 0.61 -0.14 8.23 -0.00 -1.26 -3.54 120.64 124.10 2asy n GLU 59 Ca -0.06 0.31 0.08 0.00 -0.00 0.00 0.00 57.16 57.48 2asy n GLU 59 Cb 0.60 -1.57 0.40 0.00 -0.00 0.00 0.00 31.44 30.88 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 -0.70 0.61 0.00 3.44 2.10 -2.01 -1.57 116.57 118.45 2asy h LYS 60 Ca -0.58 -0.04 -0.24 0.00 -2.00 0.00 0.00 60.65 57.79 2asy h LYS 60 Cb 1.65 -0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 32.80 2asy h LYS 60 CO -0.27 0.41 -1.25 0.77 -2.00 0.00 0.00 179.45 177.11 2asy h SER 61 N 0.63 0.01 0.69 7.07 0.02 -1.99 -3.39 113.55 116.59 2asy h SER 61 Ca 0.29 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.20 2asy h SER 61 Cb 0.31 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 2asy h SER 61 CO -0.09 1.01 -0.43 0.00 -1.14 0.00 0.00 176.83 176.18 2asy h ALA 62 N 0.99 -1.08 0.00 3.77 0.00 -1.33 0.26 119.26 121.87 2asy h ALA 62 Ca -0.11 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2asy h ALA 62 Cb 1.86 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 20.17 2asy h ALA 62 CO 0.11 -1.13 -0.28 1.37 0.00 0.00 0.00 179.25 179.33 2asy h LEU 63 N -1.05 0.00 0.00 0.00 -0.00 -1.77 -1.20 115.31 111.28 2asy h LEU 63 Ca -0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.68 2asy h LEU 63 Cb 0.85 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.49 2asy h LEU 63 CO 0.09 0.28 -0.72 0.00 -0.00 0.00 0.00 178.44 178.09 2asy h ALA 64 N 1.72 0.67 0.00 0.17 0.00 -1.69 -3.29 119.26 116.84 2asy h ALA 64 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2asy h ALA 64 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2asy h ALA 64 CO 0.04 0.64 0.00 -0.92 0.00 0.00 0.00 179.25 179.01 2asy h TYR 65 N 0.00 0.00 -0.98 0.00 3.20 0.79 -3.14 116.97 116.85 2asy h TYR 65 Ca -0.04 0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.06 2asy h TYR 65 Cb 1.40 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.59 2asy h TYR 65 CO 0.00 0.00 0.64 1.37 -1.64 0.00 0.00 178.16 178.53 2asy h LEU 66 N 0.00 0.43 -1.97 2.82 8.10 -1.60 0.68 115.31 123.77 2asy h LEU 66 Ca 0.00 0.06 0.00 0.00 0.11 0.00 0.00 57.88 58.05 2asy h LEU 66 Cb 0.54 -0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 40.75 2asy h LEU 66 CO 0.00 0.14 0.02 -0.08 -4.11 0.00 0.00 178.44 174.41 2asy h GLU 67 N 0.41 0.05 -0.42 0.17 4.57 -1.83 0.37 114.58 117.90 2asy h GLU 67 Ca 0.53 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.69 2asy h GLU 67 Cb 1.33 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.89 2asy h GLU 67 CO -0.23 0.03 0.17 -0.22 -1.18 0.00 0.00 179.01 177.58 2asy h LYS 68 N 0.05 0.62 0.06 1.92 1.63 -1.09 0.29 116.57 120.04 2asy h LYS 68 Ca 0.01 -0.11 -0.14 0.00 -0.85 0.00 0.00 60.65 59.56 2asy h LYS 68 Cb -0.01 -0.10 0.01 0.00 -0.60 0.00 0.00 32.23 31.54 2asy h LYS 68 CO -0.00 0.57 -0.60 0.45 -3.45 0.00 0.00 179.45 176.41 2asy h HIS 69 N 0.53 0.50 -0.89 1.91 3.86 -1.31 -3.27 115.15 116.48 2asy h HIS 69 Ca 0.14 -0.31 0.10 0.00 -1.16 0.00 0.00 60.37 59.14 2asy h HIS 69 Cb 0.17 -0.04 -0.06 0.00 1.06 0.00 0.00 27.41 28.54 2asy h HIS 69 CO -0.00 1.18 0.57 1.15 0.86 0.00 0.00 177.93 181.68 2asy h THR 70 N -0.33 0.95 -0.06 2.45 2.02 -0.20 -2.36 112.91 115.39 2asy h THR 70 Ca -0.09 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 66.81 2asy h THR 70 Cb 1.39 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2asy h THR 70 CO 0.12 0.16 0.35 0.00 0.37 0.00 0.00 175.52 176.51 2asy h ALA 71 N 1.56 1.45 0.03 6.16 0.00 -0.47 0.67 119.26 128.67 2asy h ALA 71 Ca 0.41 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 55.02 2asy h ALA 71 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2asy h ALA 71 CO -0.18 -0.38 -1.68 0.54 0.00 0.00 0.00 179.25 177.55 2asy n ARG 72 N -3.02 0.62 0.15 0.00 3.00 -0.89 -4.10 116.66 112.42 2asy n ARG 72 Ca -0.01 0.43 0.03 0.00 -0.01 0.00 0.00 57.85 58.30 2asy n ARG 72 Cb 0.41 -1.69 0.05 0.00 0.00 0.00 0.00 32.46 31.23 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 -0.67 0.00 -1.79 0.55 8.10 -1.12 -0.06 115.31 120.31 2asy h LEU 73 Ca -0.43 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.53 2asy h LEU 73 Cb 1.57 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.78 2asy h LEU 73 CO -0.16 0.47 -0.15 0.07 -4.11 0.00 0.00 178.44 174.57 2asy h LYS 74 N 0.00 0.00 0.00 0.17 2.10 0.06 0.36 116.57 119.26 2asy h LYS 74 Ca -0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2asy h LYS 74 Cb 1.34 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.67 2asy h LYS 74 CO 0.06 0.15 -0.26 -0.97 -2.00 0.00 0.00 179.45 176.44 2asy h ASN 75 N 0.00 0.00 -0.00 7.07 -0.73 -1.61 -3.43 115.58 116.87 2asy h ASN 75 Ca -0.00 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.12 2asy h ASN 75 Cb 0.31 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.90 2asy h ASN 75 CO 0.02 0.66 -0.29 0.00 -0.37 0.00 0.00 177.43 177.45 2asy n LEU 76 N -4.69 0.60 0.00 0.34 -0.00 -0.07 -4.98 117.00 108.20 2asy n LEU 76 Ca -0.04 -0.59 0.00 0.00 -0.00 0.00 0.00 56.01 55.37 2asy n LEU 76 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 2asy n LEU 76 CO 0.06 0.13 0.00 0.61 -0.00 0.00 0.00 177.39 178.20 2asy n GLY 77 N 1.05 0.59 0.36 1.47 0.00 0.12 -4.80 105.19 103.98 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 -0.74 -4.55 118.33 117.79 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 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 -1.27 0.00 -3.46 1.45 1.02 -1.26 -4.92 120.64 112.20 2asy n GLU 79 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2asy n GLU 79 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 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 0.27 1.21 0.11 3.49 2.02 -1.26 -4.39 118.70 120.15 2asy s GLU 80 Ca 0.00 -0.37 -0.30 0.00 0.02 0.00 0.00 54.97 54.32 2asy s GLU 80 Cb 0.00 0.56 -0.06 0.00 0.10 0.00 0.00 34.13 34.73 2asy s GLU 80 CO 0.00 -0.50 1.03 0.08 0.02 0.00 0.00 175.26 175.88 2asy s VAL 81 N -3.29 4.34 -0.42 2.63 1.01 -1.26 -4.71 120.40 118.71 2asy s VAL 81 Ca -0.01 1.89 -0.17 0.00 0.00 0.00 0.00 61.98 63.68 2asy s VAL 81 Cb -0.01 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.19 2asy s VAL 81 CO -0.09 0.26 0.45 -0.69 0.00 0.00 0.00 175.10 175.03 2asy s VAL 82 N 0.20 5.08 -0.05 2.92 1.01 0.13 -4.92 120.40 124.77 2asy s VAL 82 Ca 0.50 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2asy s VAL 82 Cb -0.25 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.11 2asy s VAL 82 CO 0.31 -0.43 -0.03 0.00 0.00 0.00 0.00 175.10 174.95 2asy s ALA 83 N 2.17 0.65 0.15 5.51 0.00 -1.25 -1.77 121.76 127.22 2asy s ALA 83 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 51.96 52.03 2asy s ALA 83 Cb -0.17 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 2asy s ALA 83 CO 0.14 -0.08 0.05 0.15 0.00 0.00 0.00 175.76 176.02 2asy s LYS 84 N 1.07 1.01 -0.20 0.00 3.01 -1.15 -4.71 119.74 118.77 2asy s LYS 84 Ca -0.09 -1.49 0.01 0.00 -1.01 0.00 0.00 55.97 53.40 2asy s LYS 84 Cb -0.14 0.13 0.04 0.00 -1.01 0.00 0.00 37.83 36.85 2asy s LYS 84 CO -0.01 -0.25 -0.12 0.08 0.51 0.00 0.00 175.35 175.56 2asy s VAL 85 N -3.98 1.74 0.46 3.17 1.01 -1.26 -0.78 120.40 120.77 2asy s VAL 85 Ca 0.26 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.29 2asy s VAL 85 Cb 0.07 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.70 2asy s VAL 85 CO 0.04 0.21 0.56 0.72 0.00 0.00 0.00 175.10 176.63 2asy s PHE 86 N 1.36 2.37 0.10 5.22 -0.71 -1.26 -5.06 117.98 120.00 2asy s PHE 86 Ca -0.01 -0.53 0.02 0.00 -1.04 0.00 0.00 56.93 55.37 2asy s PHE 86 Cb -0.16 -2.25 -0.04 0.00 -1.21 0.00 0.00 43.02 39.35 2asy s PHE 86 CO -0.09 -0.52 -0.07 0.34 -1.34 0.00 0.00 175.22 173.54 2asy s ASP 87 N -4.37 1.14 0.47 1.98 2.15 -1.26 -4.88 116.67 111.90 2asy s ASP 87 Ca 0.53 -1.00 -0.17 0.00 0.43 0.00 0.00 52.55 52.34 2asy s ASP 87 Cb -0.07 0.09 -0.09 0.00 -0.30 0.00 0.00 42.92 42.56 2asy s ASP 87 CO 0.32 -0.46 0.95 0.68 -0.17 0.00 0.00 175.17 176.49 2asy s VAL 88 N -3.57 4.51 -0.30 1.11 -7.23 -1.26 -5.03 120.40 108.62 2asy s VAL 88 Ca 0.11 1.25 0.01 0.00 -1.81 0.00 0.00 61.98 61.55 2asy s VAL 88 Cb 0.05 -3.68 0.07 0.00 0.56 0.00 0.00 36.38 33.38 2asy s VAL 88 CO -0.05 -0.53 -0.01 0.21 -0.31 0.00 0.00 175.10 174.41 2asy s ASN 89 N -2.75 4.73 0.17 4.85 3.84 -1.26 -5.02 114.94 119.49 2asy s ASN 89 Ca 0.59 -1.60 -0.03 0.00 0.21 0.00 0.00 52.86 52.04 2asy s ASN 89 Cb -0.10 -1.64 0.04 0.00 -0.55 0.00 0.00 41.25 39.01 2asy s ASN 89 CO 0.25 -0.29 1.43 -0.33 -2.79 0.00 0.00 177.10 175.37 2asy h GLU 90 N 7.83 0.46 -0.66 0.43 5.08 -1.97 -2.90 114.58 122.85 2asy h GLU 90 Ca -0.16 -0.37 0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2asy h GLU 90 Cb 1.04 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 2asy h GLU 90 CO 0.52 1.00 0.43 -1.00 -1.00 0.00 0.00 179.01 178.96 2asy h PRO 91 N 0.32 0.81 0.00 2.33 0.13 -2.03 -0.88 132.00 132.68 2asy h PRO 91 Ca -0.03 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2asy h PRO 91 Cb 1.29 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2asy h PRO 91 CO 0.13 0.54 0.00 1.28 -0.23 0.00 0.00 178.00 179.71 2asy n LEU 92 N -4.45 0.12 -0.47 1.56 4.77 -1.19 -3.02 117.00 114.32 2asy n LEU 92 Ca 0.07 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 2asy n LEU 92 Cb 0.08 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 40.72 2asy n LEU 92 CO 0.35 -0.05 0.34 -0.24 -1.33 0.00 0.00 177.39 176.46 2asy n SER 93 N -1.61 1.04 -0.13 -1.43 2.88 -0.34 -1.63 113.62 112.41 2asy n SER 93 Ca 0.07 -2.04 0.03 0.00 -1.33 0.00 0.00 58.87 55.59 2asy n SER 93 Cb 0.34 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 2asy n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2asy n GLN 94 N -0.05 2.22 -0.04 -1.46 6.02 -1.17 -4.44 117.38 118.46 2asy n GLN 94 Ca 0.02 -0.47 0.02 0.00 -0.01 0.00 0.00 57.00 56.56 2asy n GLN 94 Cb 0.25 -0.94 0.04 0.00 1.02 0.00 0.00 30.24 30.60 2asy n GLN 94 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2asy n ILE 95 N -0.31 0.56 0.26 5.09 -0.00 -0.65 -4.46 119.36 119.85 2asy n ILE 95 Ca 0.02 -0.78 0.08 0.00 -0.00 0.00 0.00 62.75 62.08 2asy n ILE 95 Cb 0.11 0.76 0.14 0.00 -0.00 0.00 0.00 39.64 40.65 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 0.03 2.85 -0.61 4.38 6.94 -1.20 -4.63 115.26 123.01 2asy n ASN 96 Ca 0.03 -1.83 0.01 0.00 -0.02 0.00 0.00 54.58 52.77 2asy n ASN 96 Cb 0.22 -0.16 0.04 0.00 -2.36 0.00 0.00 39.78 37.52 2asy n ASN 96 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2asy n GLN 97 N 0.98 1.34 -0.08 -3.83 6.02 -1.26 -2.58 117.38 117.97 2asy n GLN 97 Ca 0.13 -0.28 -0.11 0.00 -0.01 0.00 0.00 57.00 56.73 2asy n GLN 97 Cb 0.46 -1.55 -0.06 0.00 1.02 0.00 0.00 30.24 30.11 2asy n GLN 97 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2asy h ALA 98 N 2.21 0.11 0.00 -1.58 0.00 -1.83 -3.37 119.26 114.79 2asy h ALA 98 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2asy h ALA 98 Cb 0.62 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2asy h ALA 98 CO 0.04 0.55 -1.43 1.63 0.00 0.00 0.00 179.25 180.04 2asy n LYS 99 N -4.55 0.51 -0.22 0.00 4.76 -1.22 -3.93 118.16 113.51 2asy n LYS 99 Ca -0.17 -0.05 0.04 0.00 -2.87 0.00 0.00 58.31 55.26 2asy n LYS 99 Cb 0.42 -1.62 0.13 0.00 -1.84 0.00 0.00 35.03 32.13 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 -2.25 2.01 0.00 -0.35 7.99 -1.06 -5.21 117.00 118.12 2asy n LEU 100 Ca -0.01 -1.01 0.00 0.00 -0.01 0.00 0.00 56.01 54.98 2asy n LEU 100 Cb 0.52 -0.34 0.00 0.00 -0.11 0.00 0.00 43.42 43.49 2asy n LEU 100 CO 0.43 0.38 0.00 0.00 -1.51 0.00 0.00 177.39 176.69