#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 -2.38 -2.85 -5.12 0.00 -1.25 -4.99 120.51 103.93 2asy n ALA 2 Ca 0.00 0.01 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 2asy n ALA 2 Cb 0.00 -1.53 -0.07 0.00 0.00 0.00 0.00 19.45 17.85 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 -3.02 5.33 -0.25 0.00 2.01 0.20 -4.91 115.64 115.00 2asy s THR 3 Ca 0.02 0.14 -0.13 0.00 0.31 0.00 0.00 61.69 62.03 2asy s THR 3 Cb -0.00 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 2asy s THR 3 CO 0.66 0.62 0.29 -0.22 -0.69 0.00 0.00 174.62 175.28 2asy s LEU 4 N -1.01 4.08 0.08 4.42 2.96 -1.26 0.40 118.68 128.35 2asy s LEU 4 Ca 0.15 0.23 0.06 0.00 -0.22 0.00 0.00 54.13 54.35 2asy s LEU 4 Cb -0.12 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 2asy s LEU 4 CO 0.04 -0.07 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.63 2asy s LEU 5 N 1.56 2.28 -0.03 -0.68 0.20 0.11 -3.66 118.68 118.46 2asy s LEU 5 Ca 0.12 -0.63 -0.25 0.00 0.69 0.00 0.00 54.13 54.07 2asy s LEU 5 Cb -0.15 -0.58 -0.04 0.00 -0.43 0.00 0.00 46.19 44.99 2asy s LEU 5 CO 0.08 -0.05 0.75 -1.10 -0.29 0.00 0.00 176.35 175.75 2asy s GLN 6 N -1.77 4.47 -0.27 1.98 -0.21 0.12 -0.06 119.66 123.92 2asy s GLN 6 Ca -0.00 1.00 -0.00 0.00 0.02 0.00 0.00 55.36 56.37 2asy s GLN 6 Cb -0.10 -3.43 0.15 0.00 1.00 0.00 0.00 33.01 30.63 2asy s GLN 6 CO 0.03 0.10 0.39 -1.17 -2.12 0.00 0.00 175.29 172.51 2asy s LEU 7 N 0.64 -0.67 -0.12 2.90 1.98 0.10 -2.33 118.68 121.18 2asy s LEU 7 Ca 0.40 -0.19 -0.26 0.00 -2.89 0.00 0.00 54.13 51.19 2asy s LEU 7 Cb -0.19 1.05 0.06 0.00 0.66 0.00 0.00 46.19 47.77 2asy s LEU 7 CO 0.21 -0.34 0.63 -1.38 -1.89 0.00 0.00 176.35 173.58 2asy s HIS 8 N 2.53 -0.63 0.29 5.38 -3.43 -0.37 -0.86 115.29 118.19 2asy s HIS 8 Ca 0.11 1.28 0.02 0.00 -0.80 0.00 0.00 55.06 55.67 2asy s HIS 8 Cb -0.14 0.31 -0.05 0.00 -1.43 0.00 0.00 32.58 31.28 2asy s HIS 8 CO -0.25 -0.48 0.12 -0.59 -2.00 0.00 0.00 174.74 171.54 2asy s PHE 9 N -0.60 1.59 0.62 0.38 -0.71 -0.84 0.27 117.98 118.69 2asy s PHE 9 Ca -0.07 -1.24 -0.13 0.00 -1.04 0.00 0.00 56.93 54.45 2asy s PHE 9 Cb -0.02 -0.92 -0.03 0.00 -1.21 0.00 0.00 43.02 40.84 2asy s PHE 9 CO 0.06 -0.38 1.04 0.00 -1.34 0.00 0.00 175.22 174.59 2asy s ALA 10 N -3.65 2.85 0.62 1.99 0.00 -1.26 0.20 121.76 122.51 2asy s ALA 10 Ca 0.36 0.14 -0.07 0.00 0.00 0.00 0.00 51.96 52.39 2asy s ALA 10 Cb 0.07 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 20.03 2asy s ALA 10 CO 0.15 -0.83 0.95 0.12 0.00 0.00 0.00 175.76 176.15 2asy s PHE 11 N -2.85 3.29 -0.79 0.00 5.36 0.20 -4.19 117.98 119.00 2asy s PHE 11 Ca 0.59 0.77 -0.01 0.00 -0.96 0.00 0.00 56.93 57.32 2asy s PHE 11 Cb -0.13 -2.81 0.00 0.00 -0.34 0.00 0.00 43.02 39.74 2asy s PHE 11 CO 0.46 -0.90 0.12 -1.71 -1.46 0.00 0.00 175.22 171.73 2asy n ASN 12 N -2.69 -3.44 -0.08 6.13 5.15 -1.26 -4.87 115.26 114.20 2asy n ASN 12 Ca 0.05 -0.06 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 2asy n ASN 12 Cb 0.57 -2.56 -0.03 0.00 -0.53 0.00 0.00 39.78 37.23 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 -1.05 -0.51 3.95 8.20 0.00 -1.26 -4.73 105.19 109.79 2asy n GLY 13 Ca -0.09 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.86 1.95 0.45 1.61 0.04 -1.26 -4.19 135.00 130.74 2asy s PRO 14 Ca -0.28 -0.57 0.13 0.00 0.04 0.00 0.00 61.00 60.32 2asy s PRO 14 Cb 0.04 -2.23 1.01 0.00 0.04 0.00 0.00 34.50 33.36 2asy s PRO 14 CO 0.41 -1.33 2.01 0.74 0.04 0.00 0.00 177.00 178.87 2asy h PHE 15 N -0.58 0.07 0.00 0.56 0.04 -1.99 -3.47 116.94 111.57 2asy h PHE 15 Ca -0.42 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.34 2asy h PHE 15 Cb 1.29 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.42 2asy h PHE 15 CO 0.04 0.19 0.00 0.41 -0.60 0.00 0.00 178.31 178.35 2asy n GLY 16 N -1.11 3.71 0.29 -1.45 0.00 -1.26 -4.77 105.19 100.59 2asy n GLY 16 Ca -0.02 -0.79 0.17 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.38 1.61 3.32 -1.98 0.33 116.42 119.32 2asy h ASP 17 Ca 0.00 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.16 2asy h ASP 17 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2asy h ASP 17 CO 0.00 0.04 0.43 0.00 -1.72 0.00 0.00 179.24 178.00 2asy h ALA 18 N 1.96 2.06 0.00 3.45 0.00 -1.92 0.38 119.26 125.19 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 0.35 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2asy h ALA 18 CO 0.01 -0.63 -0.58 -1.33 0.00 0.00 0.00 179.25 176.72 2asy n MET 19 N -3.66 0.34 -0.12 0.00 2.81 0.08 -0.95 117.12 115.61 2asy n MET 19 Ca 0.07 0.23 -0.04 0.00 -1.81 0.00 0.00 57.70 56.14 2asy n MET 19 Cb 0.60 -1.20 0.03 0.00 -0.71 0.00 0.00 33.22 31.94 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 -1.33 0.38 0.00 3.04 0.00 -1.26 -0.42 119.26 119.67 2asy h ALA 20 Ca 0.00 0.12 -0.32 0.00 0.00 0.00 0.00 54.91 54.71 2asy h ALA 20 Cb 0.58 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 2asy h ALA 20 CO 0.00 -0.39 -2.22 -1.91 0.00 0.00 0.00 179.25 174.73 2asy n GLU 21 N -5.20 0.70 0.00 0.00 2.13 0.81 -4.65 120.64 114.42 2asy n GLU 21 Ca 0.03 0.10 0.10 0.00 0.66 0.00 0.00 57.16 58.05 2asy n GLU 21 Cb 0.22 -1.44 -0.11 0.00 0.27 0.00 0.00 31.44 30.38 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 -3.02 0.08 0.00 5.31 1.13 0.97 -3.83 117.38 118.03 2asy n GLN 22 Ca -0.36 -0.07 -0.06 0.00 -1.94 0.00 0.00 57.00 54.57 2asy n GLN 22 Cb 0.94 -1.50 0.13 0.00 0.11 0.00 0.00 30.24 29.93 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 0.16 0.55 0.01 1.08 7.12 0.73 -1.88 115.31 123.07 2asy h LEU 23 Ca 0.00 -0.23 0.03 0.00 0.13 0.00 0.00 57.88 57.81 2asy h LEU 23 Cb 0.52 -0.15 -0.05 0.00 -0.53 0.00 0.00 40.66 40.45 2asy h LEU 23 CO 0.00 0.87 -0.32 0.50 -0.13 0.00 0.00 178.44 179.36 2asy h LYS 24 N 0.44 -0.45 0.00 1.25 3.64 -1.72 0.91 116.57 120.63 2asy h LYS 24 Ca 0.04 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 2asy h LYS 24 Cb 0.85 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 2asy h LYS 24 CO 0.07 -0.30 -1.51 -0.35 -2.27 0.00 0.00 179.45 175.09 2asy n PRO 25 N -5.41 0.63 0.00 1.90 -0.04 -1.24 -4.45 135.00 126.39 2asy n PRO 25 Ca -0.05 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.58 2asy n PRO 25 Cb 0.32 -1.72 0.03 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 -2.65 2.27 -0.33 1.53 4.77 -0.71 -4.66 117.00 117.22 2asy n LEU 26 Ca -0.07 -0.86 -0.05 0.00 -0.03 0.00 0.00 56.01 55.00 2asy n LEU 26 Cb 0.70 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.77 2asy n LEU 26 CO 0.43 0.40 0.43 0.00 -1.33 0.00 0.00 177.39 177.33 2asy n ALA 27 N 0.45 -0.32 0.31 -1.18 0.00 0.31 0.23 120.51 120.31 2asy n ALA 27 Ca 0.10 0.75 0.20 0.00 0.00 0.00 0.00 53.44 54.49 2asy n ALA 27 Cb 0.47 -0.23 0.98 0.00 0.00 0.00 0.00 19.45 20.67 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 0.29 114.58 117.13 2asy h GLU 28 Ca 0.20 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.49 2asy h GLU 28 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2asy h GLU 28 CO -0.79 0.01 -1.07 0.43 0.07 0.00 0.00 179.01 177.66 2asy n SER 29 N -3.13 1.86 0.01 3.06 7.64 0.14 -3.46 113.62 119.73 2asy n SER 29 Ca -0.02 0.49 -0.12 0.00 1.01 0.00 0.00 58.87 60.23 2asy n SER 29 Cb 0.17 -0.89 -0.09 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 -1.00 1.22 0.10 0.44 -0.00 -0.32 -3.35 117.51 114.61 2asy h ILE 30 Ca -0.22 -1.29 -0.28 0.00 -0.00 0.00 0.00 64.86 63.07 2asy h ILE 30 Cb 0.99 2.03 -0.01 0.00 -0.00 0.00 0.00 36.82 39.83 2asy h ILE 30 CO -0.13 0.31 -1.48 0.78 -0.00 0.00 0.00 178.15 177.63 2asy h ASN 31 N -0.71 0.33 0.00 2.16 4.21 -1.18 -3.46 115.58 116.93 2asy h ASN 31 Ca -0.01 -0.82 0.00 0.00 1.21 0.00 0.00 56.30 56.68 2asy h ASN 31 Cb 0.58 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.67 2asy h ASN 31 CO 0.02 1.64 0.00 1.67 -1.29 0.00 0.00 177.43 179.46 2asy n GLN 32 N -3.92 0.00 -2.90 0.81 7.27 0.81 -4.03 117.38 115.41 2asy n GLN 32 Ca -0.27 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.39 2asy n GLN 32 Cb 0.89 -1.80 -0.04 0.00 2.41 0.00 0.00 30.24 31.70 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 0.00 4.25 0.00 3.69 4.04 -1.26 -4.85 118.70 124.57 2asy s GLU 33 Ca 0.00 0.97 0.00 0.00 0.04 0.00 0.00 54.97 55.98 2asy s GLU 33 Cb 0.00 -3.60 0.00 0.00 0.02 0.00 0.00 34.13 30.55 2asy s GLU 33 CO 0.00 -0.40 0.75 -0.35 -1.84 0.00 0.00 175.26 173.42 2asy n PRO 34 N 5.52 0.00 0.00 -4.83 -0.04 -1.26 -4.82 135.00 129.57 2asy n PRO 34 Ca 0.05 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 2asy n PRO 34 Cb 0.48 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.53 3.14 5.00 0.55 0.00 -1.26 -4.87 105.19 107.21 2asy n GLY 35 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.05 1.61 3.01 -1.26 -0.67 117.46 120.10 2asy n PHE 36 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.32 2asy n PHE 36 Cb 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.35 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 -0.80 0.08 0.00 -0.00 0.00 0.00 57.88 57.15 2asy h LEU 37 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2asy h LEU 37 CO 0.00 0.80 0.40 -2.67 -0.00 0.00 0.00 178.44 176.97 2asy n TRP 38 N -4.70 -1.54 -4.37 1.13 4.27 -1.20 -5.02 117.44 106.01 2asy n TRP 38 Ca -0.09 -1.22 -0.18 0.00 -3.89 0.00 0.00 57.50 52.11 2asy n TRP 38 Cb 0.39 0.60 -0.10 0.00 -1.36 0.00 0.00 31.31 30.84 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 -2.05 1.44 0.03 -2.67 2.47 -1.26 -4.62 119.74 113.07 2asy s LYS 39 Ca 0.17 -1.76 -0.19 0.00 -1.56 0.00 0.00 55.97 52.64 2asy s LYS 39 Cb -0.03 -0.67 -0.06 0.00 -1.46 0.00 0.00 37.83 35.61 2asy s LYS 39 CO 0.06 -0.14 0.54 0.54 0.16 0.00 0.00 175.35 176.51 2asy s VAL 40 N -3.40 4.87 -0.56 4.02 0.11 -1.26 -4.95 120.40 119.22 2asy s VAL 40 Ca 0.32 1.13 0.05 0.00 -2.93 0.00 0.00 61.98 60.54 2asy s VAL 40 Cb 0.07 -3.86 0.36 0.00 -1.53 0.00 0.00 36.38 31.41 2asy s VAL 40 CO 0.11 0.51 1.01 -2.67 -3.33 0.00 0.00 175.10 170.74 2asy n TRP 41 N 2.10 3.89 -4.90 1.54 4.27 -1.26 -4.99 117.44 118.09 2asy n TRP 41 Ca -0.10 -3.76 -0.28 0.00 -3.89 0.00 0.00 57.50 49.47 2asy n TRP 41 Cb 0.51 -0.41 -0.15 0.00 -1.36 0.00 0.00 31.31 29.90 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 -4.72 1.88 -0.30 -1.67 2.01 -1.26 -5.06 115.64 106.51 2asy s THR 42 Ca 0.49 -1.19 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 2asy s THR 42 Cb 0.31 -1.60 0.19 0.00 0.01 0.00 0.00 72.50 71.41 2asy s THR 42 CO -0.15 0.36 0.65 -0.70 -0.69 0.00 0.00 174.62 174.09 2asy s GLU 43 N -0.99 0.53 -0.47 4.92 2.12 -1.26 -3.39 118.70 120.15 2asy s GLU 43 Ca 0.09 0.91 -0.04 0.00 0.36 0.00 0.00 54.97 56.30 2asy s GLU 43 Cb -0.09 0.50 0.12 0.00 0.26 0.00 0.00 34.13 34.92 2asy s GLU 43 CO 0.01 -0.60 0.28 -1.12 -0.54 0.00 0.00 175.26 173.30 2asy s SER 44 N 2.87 5.31 0.32 -1.70 0.01 0.18 -4.90 113.70 115.79 2asy s SER 44 Ca 0.18 -2.23 0.15 0.00 1.31 0.00 0.00 55.95 55.36 2asy s SER 44 Cb -0.14 -1.86 0.47 0.00 0.21 0.00 0.00 66.02 64.70 2asy s SER 44 CO -0.20 -0.52 1.64 1.05 0.41 0.00 0.00 173.24 175.62 2asy h GLU 45 N 7.83 0.00 -0.00 12.44 4.11 -1.97 0.22 114.58 137.22 2asy h GLU 45 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.32 2asy h GLU 45 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2asy h GLU 45 CO 0.72 0.50 -0.01 0.36 0.07 0.00 0.00 179.01 180.65 2asy n LYS 46 N -3.58 0.10 -0.05 1.06 0.00 -1.26 -3.36 118.16 111.08 2asy n LYS 46 Ca -0.00 -0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.25 2asy n LYS 46 Cb 0.59 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 34.06 2asy n LYS 46 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2asy n ASN 47 N -1.45 3.02 -0.98 -5.58 2.85 -1.03 -5.01 115.26 107.08 2asy n ASN 47 Ca 0.09 -0.02 -0.04 0.00 -0.11 0.00 0.00 54.58 54.50 2asy n ASN 47 Cb 0.32 0.39 0.01 0.00 1.24 0.00 0.00 39.78 41.74 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 -2.49 -0.46 -3.93 1.20 8.25 0.74 -5.01 115.22 113.53 2asy n HIS 48 Ca -0.16 0.16 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 2asy n HIS 48 Cb 0.75 -1.65 -0.12 0.00 1.12 0.00 0.00 29.99 30.09 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 -5.17 0.19 -0.17 -0.41 2.12 -0.93 -0.63 118.70 113.71 2asy s GLU 49 Ca 0.09 -0.34 -0.03 0.00 0.36 0.00 0.00 54.97 55.05 2asy s GLU 49 Cb -0.04 0.07 0.05 0.00 0.26 0.00 0.00 34.13 34.47 2asy s GLU 49 CO 0.11 -0.03 0.04 0.00 -0.54 0.00 0.00 175.26 174.84 2asy s ALA 50 N -0.84 0.81 0.00 6.30 0.00 0.13 -0.64 121.76 127.51 2asy s ALA 50 Ca -0.09 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2asy s ALA 50 Cb -0.06 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 22.00 2asy s ALA 50 CO -0.00 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.12 2asy n GLY 51 N 5.12 3.21 0.00 0.00 0.00 -1.22 -1.98 105.19 110.33 2asy n GLY 51 Ca -0.08 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.88 3.61 2.93 -0.02 0.00 -0.04 -4.75 105.19 105.04 2asy n GLY 52 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 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 2.21 0.50 0.30 -0.61 -1.09 -1.26 0.02 121.20 121.27 2asy s ILE 53 Ca 0.00 -0.18 -0.12 0.00 -2.23 0.00 0.00 60.65 58.12 2asy s ILE 53 Cb 0.00 -0.49 0.01 0.00 -1.58 0.00 0.00 42.46 40.41 2asy s ILE 53 CO 0.00 0.18 0.57 -0.72 -1.23 0.00 0.00 174.94 173.75 2asy s TYR 54 N 0.45 0.38 -0.12 3.97 1.13 0.92 -4.91 117.35 119.17 2asy s TYR 54 Ca -0.06 -0.79 -0.22 0.00 -1.41 0.00 0.00 57.07 54.59 2asy s TYR 54 Cb -0.09 0.33 -0.03 0.00 -1.10 0.00 0.00 41.96 41.07 2asy s TYR 54 CO -0.00 -1.17 0.67 -0.51 -2.51 0.00 0.00 175.55 172.03 2asy s LEU 55 N -3.06 4.25 0.12 -3.49 1.02 -1.26 0.07 118.68 116.34 2asy s LEU 55 Ca 0.21 1.05 0.08 0.00 0.02 0.00 0.00 54.13 55.49 2asy s LEU 55 Cb -0.02 -3.00 -0.04 0.00 0.02 0.00 0.00 46.19 43.14 2asy s LEU 55 CO 0.11 -0.18 -0.13 0.12 0.02 0.00 0.00 176.35 176.29 2asy s PHE 56 N 1.23 2.63 0.44 0.29 5.36 0.16 -3.21 117.98 124.89 2asy s PHE 56 Ca 0.34 -0.21 0.31 0.00 -0.96 0.00 0.00 56.93 56.41 2asy s PHE 56 Cb -0.17 -1.37 1.47 0.00 -0.34 0.00 0.00 43.02 42.61 2asy s PHE 56 CO 0.14 0.43 1.60 0.00 -1.46 0.00 0.00 175.22 175.93 2asy h THR 57 N 3.28 0.06 -1.74 0.12 1.03 -1.18 0.61 112.91 115.08 2asy h THR 57 Ca -0.49 -0.01 0.29 0.00 -0.01 0.00 0.00 66.41 66.19 2asy h THR 57 Cb 1.17 0.01 -0.10 0.00 -1.07 0.00 0.00 68.15 68.16 2asy h THR 57 CO 0.50 0.01 0.77 1.51 -0.01 0.00 0.00 175.52 178.29 2asy s ASP 58 N -4.37 -0.06 -0.14 0.00 1.47 -1.26 -0.40 116.67 111.91 2asy s ASP 58 Ca -0.08 -0.22 -0.11 0.00 1.18 0.00 0.00 52.55 53.32 2asy s ASP 58 Cb 0.31 0.23 -0.25 0.00 -0.34 0.00 0.00 42.92 42.87 2asy s ASP 58 CO 0.82 -0.44 0.34 1.05 0.68 0.00 0.00 175.17 177.63 2asy h GLU 59 N 2.00 0.21 -0.80 2.11 -0.00 -1.93 -3.11 114.58 113.06 2asy h GLU 59 Ca -0.28 -0.35 0.04 0.00 -0.00 0.00 0.00 59.36 58.77 2asy h GLU 59 Cb 1.21 0.13 -0.05 0.00 -0.00 0.00 0.00 28.75 30.03 2asy h GLU 59 CO 0.29 1.17 0.50 1.57 -0.00 0.00 0.00 179.01 182.53 2asy h LYS 60 N -0.20 0.92 0.00 1.06 2.10 -2.00 -1.79 116.57 116.65 2asy h LYS 60 Ca -0.40 -0.06 -0.12 0.00 -2.00 0.00 0.00 60.65 58.07 2asy h LYS 60 Cb 1.85 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 32.96 2asy h LYS 60 CO 0.02 0.61 -0.57 0.77 -2.00 0.00 0.00 179.45 178.27 2asy h SER 61 N 0.94 0.00 0.28 7.07 0.02 -1.99 -3.32 113.55 116.54 2asy h SER 61 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2asy h SER 61 Cb 0.08 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 2asy h SER 61 CO -0.14 0.57 -0.33 0.00 -1.14 0.00 0.00 176.83 175.80 2asy h ALA 62 N 1.43 -0.66 0.00 3.77 0.00 -1.24 0.25 119.26 122.80 2asy h ALA 62 Ca -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2asy h ALA 62 Cb 1.34 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2asy h ALA 62 CO 0.07 -0.91 -0.19 1.37 0.00 0.00 0.00 179.25 179.59 2asy h LEU 63 N -0.65 0.00 -0.17 0.00 -0.00 -1.69 -2.53 115.31 110.27 2asy h LEU 63 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.65 2asy h LEU 63 Cb 0.61 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.28 2asy h LEU 63 CO -0.09 0.19 -0.87 0.00 -0.00 0.00 0.00 178.44 177.66 2asy h ALA 64 N 1.81 0.33 0.00 0.17 0.00 -1.52 -3.25 119.26 116.80 2asy h ALA 64 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2asy h ALA 64 Cb 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2asy h ALA 64 CO 0.02 0.73 0.00 0.66 0.00 0.00 0.00 179.25 180.66 2asy n TYR 65 N -3.86 0.48 -0.16 0.00 4.01 0.82 -2.28 117.16 116.17 2asy n TYR 65 Ca -0.08 0.16 -0.02 0.00 -0.16 0.00 0.00 57.90 57.80 2asy n TYR 65 Cb 0.79 -0.76 0.20 0.00 -0.31 0.00 0.00 39.34 39.26 2asy n TYR 65 CO 0.00 0.00 0.00 1.37 -0.46 0.00 0.00 176.86 177.77 2asy h LEU 66 N 0.00 0.82 -0.91 7.72 8.10 -1.54 -2.28 115.31 127.22 2asy h LEU 66 Ca 0.00 -0.11 0.04 0.00 0.11 0.00 0.00 57.88 57.92 2asy h LEU 66 Cb 0.49 -0.21 -0.05 0.00 -0.44 0.00 0.00 40.66 40.44 2asy h LEU 66 CO 0.00 0.74 0.59 -0.08 -4.11 0.00 0.00 178.44 175.58 2asy h GLU 67 N 0.88 1.10 0.36 0.17 4.81 -1.64 0.29 114.58 120.56 2asy h GLU 67 Ca 0.21 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2asy h GLU 67 Cb 0.18 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2asy h GLU 67 CO -0.02 0.73 -0.46 -0.22 -0.73 0.00 0.00 179.01 178.31 2asy h LYS 68 N 1.13 -0.83 0.00 1.92 1.63 -1.52 0.23 116.57 119.13 2asy h LYS 68 Ca 0.37 0.06 -0.13 0.00 -0.85 0.00 0.00 60.65 60.10 2asy h LYS 68 Cb 0.02 0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 2asy h LYS 68 CO -0.13 -0.55 -0.64 1.12 -3.45 0.00 0.00 179.45 175.80 2asy h HIS 69 N -0.86 0.00 -0.57 1.91 2.07 -1.39 -3.15 115.15 113.16 2asy h HIS 69 Ca -0.03 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.42 2asy h HIS 69 Cb 0.79 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.74 2asy h HIS 69 CO -0.28 0.59 0.10 1.15 -3.07 0.00 0.00 177.93 176.42 2asy h THR 70 N 0.00 1.24 0.00 6.12 2.02 -0.20 -2.66 112.91 119.44 2asy h THR 70 Ca -0.01 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.23 2asy h THR 70 Cb 1.46 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 2asy h THR 70 CO 0.08 0.34 0.00 0.00 0.37 0.00 0.00 175.52 176.31 2asy n ALA 71 N -2.47 1.08 -0.13 6.16 0.00 0.78 0.47 120.51 126.40 2asy n ALA 71 Ca 0.04 0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.21 2asy n ALA 71 Cb 0.26 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 2asy n ALA 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2asy n ARG 72 N -1.56 0.59 0.16 0.00 3.00 -1.03 -4.44 116.66 113.38 2asy n ARG 72 Ca 0.00 0.29 0.04 0.00 -0.01 0.00 0.00 57.85 58.17 2asy n ARG 72 Cb 0.02 -1.53 0.17 0.00 0.00 0.00 0.00 32.46 31.12 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 -0.90 0.00 -1.38 0.55 8.10 -0.93 0.12 115.31 120.87 2asy h LEU 73 Ca -0.65 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.29 2asy h LEU 73 Cb 1.61 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.82 2asy h LEU 73 CO -0.37 0.47 -0.16 0.07 -4.11 0.00 0.00 178.44 174.34 2asy h LYS 74 N 0.00 0.21 0.00 0.17 2.10 -0.05 0.33 116.57 119.33 2asy h LYS 74 Ca -0.00 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.56 2asy h LYS 74 Cb 1.18 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 2asy h LYS 74 CO 0.06 0.38 -0.35 -0.91 -2.00 0.00 0.00 179.45 176.63 2asy h ASN 75 N 0.20 0.00 0.00 7.07 4.21 -1.68 -3.42 115.58 121.95 2asy h ASN 75 Ca 0.04 -0.28 0.00 0.00 1.21 0.00 0.00 56.30 57.27 2asy h ASN 75 Cb 0.41 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 2asy h ASN 75 CO 0.03 0.83 -1.73 0.00 -1.29 0.00 0.00 177.43 175.27 2asy n LEU 76 N -4.64 0.04 0.00 1.61 -0.00 0.38 -4.94 117.00 109.44 2asy n LEU 76 Ca -0.09 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 2asy n LEU 76 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 2asy n LEU 76 CO 0.13 0.01 0.00 0.61 -0.00 0.00 0.00 177.39 178.14 2asy n GLY 77 N 1.54 0.61 0.49 1.47 0.00 0.95 -4.84 105.19 105.41 2asy n GLY 77 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2asy n GLY 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2asy n VAL 78 N 0.00 0.00 0.00 1.61 3.14 0.09 -4.46 118.33 118.71 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 -0.43 0.00 0.00 -1.06 0.00 0.00 33.84 32.35 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 -1.54 0.00 -3.54 1.45 1.02 -1.26 -4.87 120.64 111.90 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 -0.03 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 0.00 1.25 -0.03 3.49 2.02 -1.26 -3.63 118.70 120.54 2asy s GLU 80 Ca 0.00 -0.61 -0.16 0.00 0.02 0.00 0.00 54.97 54.21 2asy s GLU 80 Cb 0.00 0.55 -0.05 0.00 0.10 0.00 0.00 34.13 34.72 2asy s GLU 80 CO 0.00 -0.53 0.44 0.54 0.02 0.00 0.00 175.26 175.73 2asy s VAL 81 N -3.79 5.05 -0.42 2.63 0.11 -1.26 -4.62 120.40 118.10 2asy s VAL 81 Ca 0.03 0.90 -0.22 0.00 -2.93 0.00 0.00 61.98 59.76 2asy s VAL 81 Cb -0.00 -3.76 0.02 0.00 -1.53 0.00 0.00 36.38 31.11 2asy s VAL 81 CO -0.11 0.50 0.73 -0.69 -3.33 0.00 0.00 175.10 172.21 2asy s VAL 82 N -0.55 4.73 -0.05 2.04 1.01 0.14 -4.88 120.40 122.85 2asy s VAL 82 Ca 0.25 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2asy s VAL 82 Cb -0.16 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 31.99 2asy s VAL 82 CO 0.13 -0.59 -0.03 0.00 0.00 0.00 0.00 175.10 174.60 2asy s ALA 83 N 3.08 0.66 0.08 5.51 0.00 -1.25 -1.24 121.76 128.60 2asy s ALA 83 Ca 0.28 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 52.12 2asy s ALA 83 Cb -0.13 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 2asy s ALA 83 CO 0.20 -0.12 0.11 0.15 0.00 0.00 0.00 175.76 176.10 2asy s LYS 84 N 1.15 0.77 -0.13 0.00 3.01 -0.98 -4.85 119.74 118.70 2asy s LYS 84 Ca -0.08 -1.06 0.01 0.00 -1.01 0.00 0.00 55.97 53.83 2asy s LYS 84 Cb -0.14 0.29 -0.01 0.00 -1.01 0.00 0.00 37.83 36.96 2asy s LYS 84 CO -0.01 -0.21 -0.15 0.08 0.51 0.00 0.00 175.35 175.56 2asy s VAL 85 N -3.89 2.84 0.30 3.17 1.01 -1.26 0.16 120.40 122.73 2asy s VAL 85 Ca 0.06 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.39 2asy s VAL 85 Cb 0.06 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2asy s VAL 85 CO -0.10 0.53 0.10 0.72 0.00 0.00 0.00 175.10 176.34 2asy s PHE 86 N 0.39 2.76 -0.07 5.22 -0.71 -1.24 -5.02 117.98 119.32 2asy s PHE 86 Ca -0.12 -0.28 0.04 0.00 -1.04 0.00 0.00 56.93 55.53 2asy s PHE 86 Cb -0.16 -1.44 0.00 0.00 -1.21 0.00 0.00 43.02 40.21 2asy s PHE 86 CO 0.06 0.47 -0.20 0.34 -1.34 0.00 0.00 175.22 174.55 2asy s ASP 87 N -3.78 2.61 0.17 1.98 -1.08 -1.26 -4.83 116.67 110.48 2asy s ASP 87 Ca 0.35 -0.45 -0.21 0.00 -0.52 0.00 0.00 52.55 51.72 2asy s ASP 87 Cb -0.05 -1.02 -0.08 0.00 -1.46 0.00 0.00 42.92 40.31 2asy s ASP 87 CO 0.22 0.14 0.70 0.68 0.52 0.00 0.00 175.17 177.43 2asy s VAL 88 N 0.27 4.57 -0.19 1.11 -7.23 -1.26 -5.05 120.40 112.61 2asy s VAL 88 Ca -0.12 1.35 0.01 0.00 -1.81 0.00 0.00 61.98 61.40 2asy s VAL 88 Cb -0.16 -3.93 0.04 0.00 0.56 0.00 0.00 36.38 32.89 2asy s VAL 88 CO 0.06 0.36 -0.10 0.21 -0.31 0.00 0.00 175.10 175.32 2asy s ASN 89 N -1.42 3.26 0.01 4.85 2.47 -1.26 -5.06 114.94 117.79 2asy s ASN 89 Ca 0.38 -0.82 0.27 0.00 0.42 0.00 0.00 52.86 53.10 2asy s ASN 89 Cb -0.19 -1.18 1.13 0.00 -1.45 0.00 0.00 41.25 39.56 2asy s ASN 89 CO 0.22 -0.14 1.85 -0.62 -3.72 0.00 0.00 177.10 174.69 2asy n GLU 90 N 4.72 0.01 -0.11 0.43 1.02 -1.26 -3.72 120.64 121.73 2asy n GLU 90 Ca -0.14 0.05 0.14 0.00 -0.02 0.00 0.00 57.16 57.19 2asy n GLU 90 Cb 0.47 -1.51 0.52 0.00 -0.02 0.00 0.00 31.44 30.90 2asy n GLU 90 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2asy h PRO 91 N 0.00 0.36 -0.09 3.49 0.13 -2.06 0.27 132.00 134.11 2asy h PRO 91 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2asy h PRO 91 Cb 0.46 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.51 2asy h PRO 91 CO 0.00 0.24 0.00 1.28 -0.23 0.00 0.00 178.00 179.29 2asy n LEU 92 N -4.46 0.91 -1.13 1.56 4.77 -1.24 -4.01 117.00 113.40 2asy n LEU 92 Ca 0.12 -0.37 -0.03 0.00 -0.03 0.00 0.00 56.01 55.69 2asy n LEU 92 Cb 0.47 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.54 2asy n LEU 92 CO 0.34 0.19 0.59 -0.24 -1.33 0.00 0.00 177.39 176.93 2asy n SER 93 N -0.19 2.90 -0.00 -1.43 2.88 0.08 -2.14 113.62 115.72 2asy n SER 93 Ca 0.15 -2.26 0.03 0.00 -1.33 0.00 0.00 58.87 55.47 2asy n SER 93 Cb 0.21 -0.55 -0.05 0.00 -0.75 0.00 0.00 64.21 63.06 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 0.20 0.21 0.00 -1.46 6.02 -1.26 -4.53 117.38 116.56 2asy n GLN 94 Ca 0.09 -0.06 0.11 0.00 -0.01 0.00 0.00 57.00 57.13 2asy n GLN 94 Cb 0.65 -1.16 0.12 0.00 1.02 0.00 0.00 30.24 30.87 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 -1.74 0.00 1.24 5.09 -0.00 -0.91 -3.88 119.36 119.17 2asy n ILE 95 Ca -0.01 -0.00 0.12 0.00 -0.00 0.00 0.00 62.75 62.85 2asy n ILE 95 Cb 0.18 0.51 0.40 0.00 -0.00 0.00 0.00 39.64 40.72 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 -1.50 1.75 -0.55 4.38 6.94 -1.25 -4.32 115.26 120.72 2asy n ASN 96 Ca 0.05 -1.68 0.02 0.00 -0.02 0.00 0.00 54.58 52.96 2asy n ASN 96 Cb 0.33 -0.08 0.09 0.00 -2.36 0.00 0.00 39.78 37.76 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 0.37 1.65 -0.04 -3.83 6.02 -1.25 -1.83 117.38 118.48 2asy n GLN 97 Ca 0.17 -0.72 -0.01 0.00 -0.01 0.00 0.00 57.00 56.43 2asy n GLN 97 Cb 0.36 -1.37 -0.00 0.00 1.02 0.00 0.00 30.24 30.25 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 3.00 0.00 0.00 -1.58 0.00 -1.87 -3.37 119.26 115.44 2asy h ALA 98 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2asy h ALA 98 Cb 0.50 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2asy h ALA 98 CO 0.05 0.12 -1.39 1.63 0.00 0.00 0.00 179.25 179.66 2asy n LYS 99 N -3.97 0.62 -1.04 0.00 4.76 -1.24 -4.13 118.16 113.16 2asy n LYS 99 Ca -0.02 0.11 -0.22 0.00 -2.87 0.00 0.00 58.31 55.31 2asy n LYS 99 Cb 0.06 -1.76 0.11 0.00 -1.84 0.00 0.00 35.03 31.60 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 -2.71 6.44 0.00 -0.35 4.77 -0.76 -5.20 117.00 119.19 2asy n LEU 100 Ca -0.06 -3.44 0.00 0.00 -0.03 0.00 0.00 56.01 52.47 2asy n LEU 100 Cb 0.70 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2asy n LEU 100 CO 0.42 1.11 0.00 0.00 -1.33 0.00 0.00 177.39 177.59