#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 -0.67 -1.95 -5.12 0.00 -1.24 -4.96 120.51 106.57 2asy n ALA 2 Ca 0.00 0.21 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 2asy n ALA 2 Cb 0.00 -2.97 -0.04 0.00 0.00 0.00 0.00 19.45 16.44 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 -3.04 3.85 -0.24 0.00 2.01 -0.41 -4.84 115.64 112.97 2asy s THR 3 Ca 0.26 1.70 -0.11 0.00 0.31 0.00 0.00 61.69 63.84 2asy s THR 3 Cb -0.11 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 2asy s THR 3 CO 0.32 0.34 0.19 -0.22 -0.69 0.00 0.00 174.62 174.56 2asy s LEU 4 N -0.75 4.12 0.06 4.42 2.96 -1.26 0.70 118.68 128.93 2asy s LEU 4 Ca 0.46 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.58 2asy s LEU 4 Cb -0.29 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 2asy s LEU 4 CO 0.36 0.05 -0.14 -0.22 -1.32 0.00 0.00 176.35 175.07 2asy s LEU 5 N 1.11 2.25 -0.17 -0.68 0.20 0.64 -3.39 118.68 118.64 2asy s LEU 5 Ca 0.09 -0.58 -0.15 0.00 0.69 0.00 0.00 54.13 54.18 2asy s LEU 5 Cb -0.14 -0.55 -0.04 0.00 -0.43 0.00 0.00 46.19 45.03 2asy s LEU 5 CO 0.05 -0.04 0.36 -1.10 -0.29 0.00 0.00 176.35 175.33 2asy s GLN 6 N -1.58 4.24 -0.24 1.98 -0.21 0.64 -0.30 119.66 124.19 2asy s GLN 6 Ca -0.01 0.19 -0.03 0.00 0.02 0.00 0.00 55.36 55.53 2asy s GLN 6 Cb -0.09 -3.47 0.11 0.00 1.00 0.00 0.00 33.01 30.56 2asy s GLN 6 CO 0.02 0.12 0.28 -1.17 -2.12 0.00 0.00 175.29 172.41 2asy s LEU 7 N 0.82 -0.26 -0.09 2.90 0.20 0.28 -2.21 118.68 120.31 2asy s LEU 7 Ca 0.19 -0.26 -0.27 0.00 0.69 0.00 0.00 54.13 54.48 2asy s LEU 7 Cb -0.14 0.58 0.06 0.00 -0.43 0.00 0.00 46.19 46.27 2asy s LEU 7 CO 0.06 -0.34 0.62 -1.38 -0.29 0.00 0.00 176.35 175.03 2asy s HIS 8 N 2.39 -0.61 0.35 5.38 -3.43 -0.56 -2.13 115.29 116.68 2asy s HIS 8 Ca 0.09 1.16 0.05 0.00 -0.80 0.00 0.00 55.06 55.56 2asy s HIS 8 Cb -0.15 0.33 -0.03 0.00 -1.43 0.00 0.00 32.58 31.30 2asy s HIS 8 CO -0.19 -0.52 0.19 -0.59 -2.00 0.00 0.00 174.74 171.64 2asy s PHE 9 N -0.84 1.72 0.36 0.38 -0.71 -0.61 -0.07 117.98 118.21 2asy s PHE 9 Ca -0.09 -1.46 -0.26 0.00 -1.04 0.00 0.00 56.93 54.08 2asy s PHE 9 Cb -0.02 -0.91 -0.09 0.00 -1.21 0.00 0.00 43.02 40.79 2asy s PHE 9 CO 0.07 -0.58 1.09 0.00 -1.34 0.00 0.00 175.22 174.46 2asy s ALA 10 N -3.40 3.21 0.70 1.99 0.00 -1.26 0.19 121.76 123.19 2asy s ALA 10 Ca 0.33 0.81 -0.12 0.00 0.00 0.00 0.00 51.96 52.98 2asy s ALA 10 Cb 0.03 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.86 2asy s ALA 10 CO 0.20 -0.25 1.08 0.12 0.00 0.00 0.00 175.76 176.91 2asy s PHE 11 N -1.45 2.86 -0.46 0.00 5.36 0.13 -3.62 117.98 120.81 2asy s PHE 11 Ca 0.53 1.49 0.00 0.00 -0.96 0.00 0.00 56.93 57.99 2asy s PHE 11 Cb -0.27 -2.99 0.00 0.00 -0.34 0.00 0.00 43.02 39.42 2asy s PHE 11 CO 0.34 -1.45 0.00 -1.71 -1.46 0.00 0.00 175.22 170.94 2asy n ASN 12 N -2.99 -2.90 -0.04 6.13 5.15 -1.26 -4.78 115.26 114.57 2asy n ASN 12 Ca 0.09 0.06 -0.03 0.00 -0.60 0.00 0.00 54.58 54.10 2asy n ASN 12 Cb 0.53 -1.50 -0.01 0.00 -0.53 0.00 0.00 39.78 38.27 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 -1.76 -0.63 3.95 8.20 0.00 -1.24 -4.77 105.19 108.95 2asy n GLY 13 Ca -0.05 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.69 1.47 0.36 1.61 0.04 -1.26 -4.19 135.00 131.35 2asy s PRO 14 Ca -0.09 -0.62 0.13 0.00 0.04 0.00 0.00 61.00 60.46 2asy s PRO 14 Cb 0.01 -2.12 0.70 0.00 0.04 0.00 0.00 34.50 33.13 2asy s PRO 14 CO 0.14 -1.72 1.81 0.74 0.04 0.00 0.00 177.00 178.01 2asy h PHE 15 N -0.93 0.00 0.00 0.56 0.04 -1.98 -3.47 116.94 111.16 2asy h PHE 15 Ca -0.42 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.35 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 -0.37 0.39 0.00 0.41 -0.60 0.00 0.00 178.31 178.14 2asy n GLY 16 N -0.37 4.41 0.25 -1.45 0.00 -1.26 -4.75 105.19 102.02 2asy n GLY 16 Ca -0.02 -0.85 0.17 0.00 0.00 0.00 0.00 46.02 45.32 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 1.85 0.00 -0.98 1.61 3.32 -1.93 -0.10 116.42 120.19 2asy h ASP 17 Ca 0.00 0.00 0.26 0.00 0.02 0.00 0.00 57.03 57.31 2asy h ASP 17 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 2asy h ASP 17 CO 0.00 0.00 0.67 0.00 -1.72 0.00 0.00 179.24 178.19 2asy h ALA 18 N 2.04 2.51 0.00 3.45 0.00 -1.93 0.46 119.26 125.79 2asy h ALA 18 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2asy h ALA 18 Cb 0.19 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2asy h ALA 18 CO 0.00 -0.83 -1.32 -1.33 0.00 0.00 0.00 179.25 175.77 2asy n MET 19 N -4.44 0.53 0.00 0.00 2.81 -0.10 -1.37 117.12 114.55 2asy n MET 19 Ca 0.22 0.32 0.02 0.00 -1.81 0.00 0.00 57.70 56.45 2asy n MET 19 Cb 0.90 -1.53 0.11 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 n ALA 20 N -4.14 1.44 0.11 3.04 0.00 -0.88 -3.14 120.51 116.93 2asy n ALA 20 Ca -0.25 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2asy n ALA 20 Cb 0.58 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2asy n ALA 20 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2asy n GLU 21 N -1.23 0.00 0.18 0.00 2.13 0.02 -4.94 120.64 116.79 2asy n GLU 21 Ca 0.02 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.98 2asy n GLU 21 Cb 0.03 0.00 0.53 0.00 0.27 0.00 0.00 31.44 32.27 2asy n GLU 21 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2asy h GLN 22 N 0.00 0.00 0.00 5.31 1.08 -0.32 -2.34 115.11 118.84 2asy h GLN 22 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2asy h GLN 22 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2asy h GLN 22 CO 0.00 0.00 0.00 1.25 -0.95 0.00 0.00 178.83 179.13 2asy h LEU 23 N 0.00 0.00 0.08 1.46 5.85 -1.17 -0.89 115.31 120.65 2asy h LEU 23 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2asy h LEU 23 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2asy h LEU 23 CO 0.00 0.00 -0.04 0.50 -0.34 0.00 0.00 178.44 178.56 2asy h LYS 24 N 0.00 -0.10 0.00 1.25 3.64 -1.64 -3.24 116.57 116.48 2asy h LYS 24 Ca 0.00 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 2asy h LYS 24 Cb 0.73 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 2asy h LYS 24 CO 0.00 0.43 -1.74 -0.35 -2.27 0.00 0.00 179.45 175.52 2asy n PRO 25 N -4.81 0.65 -0.13 1.90 -0.04 -1.24 -4.47 135.00 126.85 2asy n PRO 25 Ca -0.07 0.02 0.07 0.00 -0.04 0.00 0.00 63.50 63.47 2asy n PRO 25 Cb 0.29 -1.66 0.14 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.62 2.74 -0.28 1.53 4.77 -0.34 -4.72 117.00 118.08 2asy n LEU 26 Ca -0.11 -1.59 0.05 0.00 -0.03 0.00 0.00 56.01 54.33 2asy n LEU 26 Cb 0.77 -0.17 0.15 0.00 -2.33 0.00 0.00 43.42 41.84 2asy n LEU 26 CO 0.43 0.63 0.76 0.00 -1.33 0.00 0.00 177.39 177.88 2asy h ALA 27 N 2.58 0.73 0.00 -1.18 0.00 -1.58 0.49 119.26 120.30 2asy h ALA 27 Ca 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2asy h ALA 27 Cb 0.70 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2asy h ALA 27 CO 0.00 -0.44 -0.10 1.05 0.00 0.00 0.00 179.25 179.76 2asy h GLU 28 N 0.04 0.00 0.00 0.00 4.11 -1.84 0.48 114.58 117.37 2asy h GLU 28 Ca 0.43 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.69 2asy h GLU 28 Cb 0.74 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2asy h GLU 28 CO -0.79 0.10 -1.13 0.43 0.07 0.00 0.00 179.01 177.70 2asy n SER 29 N -3.50 1.85 -0.07 3.06 7.64 0.13 -3.80 113.62 118.93 2asy n SER 29 Ca -0.01 0.48 -0.12 0.00 1.01 0.00 0.00 58.87 60.23 2asy n SER 29 Cb 0.25 -0.93 -0.09 0.00 -1.01 0.00 0.00 64.21 62.43 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 1.19 0.00 0.44 -0.00 -0.26 -3.36 117.51 114.52 2asy h ILE 30 Ca -0.27 -1.96 -0.16 0.00 -0.00 0.00 0.00 64.86 62.48 2asy h ILE 30 Cb 1.09 2.31 -0.02 0.00 -0.00 0.00 0.00 36.82 40.20 2asy h ILE 30 CO -0.16 0.40 -0.74 -1.13 -0.00 0.00 0.00 178.15 176.52 2asy h ASN 31 N -1.00 0.00 -0.09 2.16 -1.24 -1.16 -3.46 115.58 110.79 2asy h ASN 31 Ca -0.05 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.92 2asy h ASN 31 Cb 0.80 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.84 2asy h ASN 31 CO -0.03 0.74 -0.03 0.00 -1.29 0.00 0.00 177.43 176.81 2asy n GLN 32 N -3.29 -0.71 -4.40 6.67 1.13 -0.19 -3.98 117.38 112.62 2asy n GLN 32 Ca 0.01 0.33 -0.27 0.00 -1.94 0.00 0.00 57.00 55.12 2asy n GLN 32 Cb 0.83 -3.96 -0.12 0.00 0.11 0.00 0.00 30.24 27.11 2asy n GLN 32 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2asy s GLU 33 N -1.21 1.57 -0.03 -1.09 4.04 -1.26 -4.98 118.70 115.75 2asy s GLU 33 Ca 0.00 -1.45 -0.24 0.00 0.04 0.00 0.00 54.97 53.32 2asy s GLU 33 Cb 0.00 -1.90 -0.18 0.00 0.02 0.00 0.00 34.13 32.07 2asy s GLU 33 CO 0.00 0.42 1.07 -1.00 -1.84 0.00 0.00 175.26 173.90 2asy h PRO 34 N 3.30 -0.17 -4.58 -4.83 0.13 -1.95 -3.39 132.00 120.51 2asy h PRO 34 Ca -0.47 0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.50 2asy h PRO 34 Cb 1.20 0.04 0.13 0.00 0.13 0.00 0.00 31.00 32.50 2asy h PRO 34 CO 0.47 0.28 -0.56 0.41 -0.23 0.00 0.00 178.00 178.37 2asy n GLY 35 N 0.34 -0.42 0.30 1.56 0.00 -1.26 -4.94 105.19 100.77 2asy n GLY 35 Ca -0.08 0.26 0.04 0.00 0.00 0.00 0.00 46.02 46.24 2asy n GLY 35 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2asy h PHE 36 N -0.74 0.76 0.00 1.61 -1.00 -1.93 -3.32 116.94 112.31 2asy h PHE 36 Ca -0.40 0.03 -0.36 0.00 2.81 0.00 0.00 57.97 60.06 2asy h PHE 36 Cb 1.20 -0.22 -0.05 0.00 3.61 0.00 0.00 35.95 40.49 2asy h PHE 36 CO 0.20 0.25 -2.01 1.28 -1.61 0.00 0.00 178.31 176.43 2asy n LEU 37 N -4.82 1.92 -4.02 1.54 7.99 -1.24 -5.02 117.00 113.35 2asy n LEU 37 Ca 0.14 0.37 -0.10 0.00 -0.01 0.00 0.00 56.01 56.41 2asy n LEU 37 Cb 0.34 -0.87 -0.05 0.00 -0.11 0.00 0.00 43.42 42.73 2asy n LEU 37 CO 0.24 0.42 0.17 -1.66 -1.51 0.00 0.00 177.39 175.05 2asy s TRP 38 N -2.47 0.53 0.33 -1.77 1.48 -1.21 -4.98 118.94 110.84 2asy s TRP 38 Ca -0.35 -0.88 0.09 0.00 -1.06 0.00 0.00 56.10 53.91 2asy s TRP 38 Cb 0.11 0.14 -0.05 0.00 -1.16 0.00 0.00 33.47 32.51 2asy s TRP 38 CO 0.52 -1.04 0.00 0.21 -4.06 0.00 0.00 176.95 172.57 2asy s LYS 39 N -3.72 2.09 -0.25 3.25 2.47 -1.26 -4.48 119.74 117.84 2asy s LYS 39 Ca 0.24 -1.70 -0.19 0.00 -1.56 0.00 0.00 55.97 52.77 2asy s LYS 39 Cb -0.01 -1.96 -0.02 0.00 -1.46 0.00 0.00 37.83 34.38 2asy s LYS 39 CO 0.12 0.18 0.58 0.54 0.16 0.00 0.00 175.35 176.93 2asy s VAL 40 N -2.49 5.02 -0.71 4.02 0.11 -1.26 -4.90 120.40 120.19 2asy s VAL 40 Ca 0.34 1.04 0.05 0.00 -2.93 0.00 0.00 61.98 60.48 2asy s VAL 40 Cb -0.01 -3.89 0.17 0.00 -1.53 0.00 0.00 36.38 31.11 2asy s VAL 40 CO 0.19 0.06 0.50 -2.67 -3.33 0.00 0.00 175.10 169.85 2asy n TRP 41 N 5.58 3.28 -3.83 1.54 4.27 -1.26 -4.99 117.44 122.03 2asy n TRP 41 Ca -0.02 -4.32 -0.12 0.00 -3.89 0.00 0.00 57.50 49.15 2asy n TRP 41 Cb 0.49 -0.63 -0.12 0.00 -1.36 0.00 0.00 31.31 29.70 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 -1.49 0.03 -0.29 -1.67 2.01 -1.26 -4.94 115.64 108.02 2asy s THR 42 Ca 0.25 -0.22 -0.12 0.00 0.31 0.00 0.00 61.69 61.91 2asy s THR 42 Cb -0.04 -0.29 0.11 0.00 0.01 0.00 0.00 72.50 72.29 2asy s THR 42 CO -0.17 -0.12 0.67 -0.70 -0.69 0.00 0.00 174.62 173.62 2asy s GLU 43 N -0.37 0.62 -0.34 4.92 2.12 -1.26 -3.63 118.70 120.75 2asy s GLU 43 Ca -0.05 1.36 -0.01 0.00 0.36 0.00 0.00 54.97 56.63 2asy s GLU 43 Cb -0.03 0.60 0.12 0.00 0.26 0.00 0.00 34.13 35.08 2asy s GLU 43 CO 0.01 -0.18 0.17 -1.12 -0.54 0.00 0.00 175.26 173.60 2asy s SER 44 N 2.43 3.38 0.27 -1.70 0.01 -0.40 -4.96 113.70 112.73 2asy s SER 44 Ca -0.07 -1.90 0.05 0.00 1.31 0.00 0.00 55.95 55.33 2asy s SER 44 Cb -0.09 -0.54 0.38 0.00 0.21 0.00 0.00 66.02 65.98 2asy s SER 44 CO -0.19 -0.36 1.66 1.05 0.41 0.00 0.00 173.24 175.81 2asy h GLU 45 N 7.55 0.30 0.00 12.44 4.11 -1.96 0.17 114.58 137.18 2asy h GLU 45 Ca -0.06 -0.15 -0.02 0.00 0.07 0.00 0.00 59.36 59.21 2asy h GLU 45 Cb 0.98 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2asy h GLU 45 CO 0.37 0.69 -0.08 1.57 0.07 0.00 0.00 179.01 181.63 2asy h LYS 46 N 0.24 0.00 0.00 1.06 -0.00 -1.93 -2.33 116.57 113.61 2asy h LYS 46 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.67 2asy h LYS 46 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.11 2asy h LYS 46 CO 0.07 0.08 -0.70 -1.71 -0.00 0.00 0.00 179.45 177.19 2asy n ASN 47 N -3.66 0.99 -2.11 7.07 2.85 -1.12 -5.00 115.26 114.28 2asy n ASN 47 Ca -0.02 -0.56 -0.14 0.00 -0.11 0.00 0.00 54.58 53.76 2asy n ASN 47 Cb 0.19 1.11 0.04 0.00 1.24 0.00 0.00 39.78 42.36 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 -1.38 -1.45 -4.15 1.20 8.25 -0.02 -4.98 115.22 112.68 2asy n HIS 48 Ca 0.01 0.47 -0.16 0.00 -0.26 0.00 0.00 57.72 57.78 2asy n HIS 48 Cb 0.18 -3.22 -0.12 0.00 1.12 0.00 0.00 29.99 27.95 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 -5.52 0.76 -0.13 -0.41 2.56 -0.77 -0.70 118.70 114.48 2asy s GLU 49 Ca 0.27 -0.95 -0.04 0.00 0.00 0.00 0.00 54.97 54.25 2asy s GLU 49 Cb -0.12 -0.63 0.05 0.00 2.00 0.00 0.00 34.13 35.43 2asy s GLU 49 CO 0.34 0.13 0.06 0.00 -0.56 0.00 0.00 175.26 175.23 2asy s ALA 50 N -1.57 0.52 0.00 6.30 0.00 0.13 -1.28 121.76 125.87 2asy s ALA 50 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2asy s ALA 50 Cb -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.10 2asy s ALA 50 CO 0.01 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.24 2asy n GLY 51 N 5.23 3.83 0.00 0.00 0.00 -1.24 -1.58 105.19 111.43 2asy n GLY 51 Ca -0.06 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.63 4.98 3.03 -0.02 0.00 -0.91 -4.72 105.19 105.93 2asy n GLY 52 Ca 0.00 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 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 3.93 0.72 0.23 -0.61 -1.09 -1.26 -0.56 121.20 122.55 2asy s ILE 53 Ca 0.00 -0.50 -0.20 0.00 -2.23 0.00 0.00 60.65 57.72 2asy s ILE 53 Cb 0.00 -0.62 0.03 0.00 -1.58 0.00 0.00 42.46 40.29 2asy s ILE 53 CO 0.00 0.12 0.62 -0.72 -1.23 0.00 0.00 174.94 173.73 2asy s TYR 54 N -0.38 -0.20 -0.06 3.97 1.13 0.59 -4.85 117.35 117.55 2asy s TYR 54 Ca 0.02 -0.17 -0.27 0.00 -1.41 0.00 0.00 57.07 55.24 2asy s TYR 54 Cb -0.04 0.54 -0.03 0.00 -1.10 0.00 0.00 41.96 41.33 2asy s TYR 54 CO -0.00 -1.04 0.87 -0.51 -2.51 0.00 0.00 175.55 172.36 2asy s LEU 55 N -2.88 4.31 0.14 -3.49 1.02 -1.26 -0.26 118.68 116.27 2asy s LEU 55 Ca 0.09 1.42 0.07 0.00 0.02 0.00 0.00 54.13 55.74 2asy s LEU 55 Cb -0.03 -3.36 -0.04 0.00 0.02 0.00 0.00 46.19 42.78 2asy s LEU 55 CO 0.00 -0.25 -0.06 0.12 0.02 0.00 0.00 176.35 176.18 2asy s PHE 56 N 1.19 2.78 0.60 0.29 5.36 0.22 -3.33 117.98 125.08 2asy s PHE 56 Ca 0.45 -0.15 0.29 0.00 -0.96 0.00 0.00 56.93 56.56 2asy s PHE 56 Cb -0.19 -1.39 1.32 0.00 -0.34 0.00 0.00 43.02 42.42 2asy s PHE 56 CO 0.22 0.48 1.72 0.00 -1.46 0.00 0.00 175.22 176.17 2asy h THR 57 N 2.84 0.24 -1.69 0.12 1.03 -1.96 -1.08 112.91 112.42 2asy h THR 57 Ca -0.48 0.00 0.35 0.00 -0.01 0.00 0.00 66.41 66.27 2asy h THR 57 Cb 1.19 0.42 -0.10 0.00 -1.07 0.00 0.00 68.15 68.59 2asy h THR 57 CO 0.55 0.00 0.89 1.51 -0.01 0.00 0.00 175.52 178.46 2asy s ASP 58 N -4.65 -0.02 -0.12 0.00 1.47 -1.26 -0.11 116.67 111.97 2asy s ASP 58 Ca -0.04 -0.14 -0.13 0.00 1.18 0.00 0.00 52.55 53.42 2asy s ASP 58 Cb 0.15 0.13 -0.26 0.00 -0.34 0.00 0.00 42.92 42.60 2asy s ASP 58 CO 0.53 -0.25 0.43 -0.33 0.68 0.00 0.00 175.17 176.23 2asy h GLU 59 N 2.00 0.22 -0.84 2.11 5.08 -1.94 -3.23 114.58 117.98 2asy h GLU 59 Ca -0.27 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 57.70 2asy h GLU 59 Cb 1.19 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.54 2asy h GLU 59 CO 0.30 1.18 0.45 1.57 -1.00 0.00 0.00 179.01 181.51 2asy h LYS 60 N -0.27 1.18 0.00 2.33 2.10 -2.01 -1.64 116.57 118.25 2asy h LYS 60 Ca -0.36 -0.14 -0.18 0.00 -2.00 0.00 0.00 60.65 57.97 2asy h LYS 60 Cb 1.80 -0.23 -0.03 0.00 -0.90 0.00 0.00 32.23 32.87 2asy h LYS 60 CO 0.03 0.87 -0.87 0.77 -2.00 0.00 0.00 179.45 178.24 2asy h SER 61 N 1.18 0.00 -0.27 7.07 0.02 -1.99 -3.32 113.55 116.24 2asy h SER 61 Ca 0.30 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.30 2asy h SER 61 Cb 0.04 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.53 2asy h SER 61 CO -0.05 0.87 -0.11 0.00 -1.14 0.00 0.00 176.83 176.41 2asy h ALA 62 N 1.13 0.13 0.00 3.77 0.00 -1.31 0.28 119.26 123.25 2asy h ALA 62 Ca -0.01 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2asy h ALA 62 Cb 1.66 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 2asy h ALA 62 CO 0.11 -0.51 -0.09 1.37 0.00 0.00 0.00 179.25 180.14 2asy h LEU 63 N -0.06 0.00 -0.04 0.00 -0.00 -1.65 -2.24 115.31 111.33 2asy h LEU 63 Ca 0.14 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.84 2asy h LEU 63 Cb 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.90 2asy h LEU 63 CO -0.31 0.09 -0.83 0.00 -0.00 0.00 0.00 178.44 177.38 2asy h ALA 64 N 1.91 0.47 0.00 0.17 0.00 -1.42 -3.29 119.26 117.11 2asy h ALA 64 Ca -0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 2asy h ALA 64 Cb 0.78 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2asy h ALA 64 CO 0.01 1.04 -0.09 1.88 0.00 0.00 0.00 179.25 182.09 2asy h TYR 65 N 0.00 0.00 -0.78 0.00 0.05 0.15 -3.18 116.97 113.20 2asy h TYR 65 Ca -0.01 0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.88 2asy h TYR 65 Cb 1.62 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 39.31 2asy h TYR 65 CO 0.00 0.09 0.51 1.37 -1.05 0.00 0.00 178.16 179.08 2asy h LEU 66 N 0.00 0.61 -2.02 3.88 8.10 -1.58 0.14 115.31 124.44 2asy h LEU 66 Ca -0.00 0.02 -0.02 0.00 0.11 0.00 0.00 57.88 57.99 2asy h LEU 66 Cb 0.76 -0.11 -0.00 0.00 -0.44 0.00 0.00 40.66 40.87 2asy h LEU 66 CO 0.01 0.36 -0.08 -0.08 -4.11 0.00 0.00 178.44 174.54 2asy h GLU 67 N 0.67 0.00 -0.28 0.17 4.22 -1.78 0.23 114.58 117.81 2asy h GLU 67 Ca 0.37 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.76 2asy h GLU 67 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2asy h GLU 67 CO -0.14 0.08 -0.02 0.87 -2.18 0.00 0.00 179.01 177.62 2asy h LYS 68 N 0.00 0.51 0.06 1.92 6.56 -1.14 0.39 116.57 124.86 2asy h LYS 68 Ca -0.00 -0.17 -0.19 0.00 -1.06 0.00 0.00 60.65 59.23 2asy h LYS 68 Cb 0.30 -0.04 0.02 0.00 -0.57 0.00 0.00 32.23 31.94 2asy h LYS 68 CO 0.01 0.68 -0.78 0.45 -2.06 0.00 0.00 179.45 177.75 2asy h HIS 69 N 0.28 0.67 -0.69 -1.35 3.86 -1.38 -3.19 115.15 113.35 2asy h HIS 69 Ca 0.08 -0.41 0.07 0.00 -1.16 0.00 0.00 60.37 58.95 2asy h HIS 69 Cb 0.46 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.81 2asy h HIS 69 CO 0.04 1.25 0.38 1.15 0.86 0.00 0.00 177.93 181.61 2asy h THR 70 N -0.10 0.95 0.00 2.45 2.02 -0.57 -1.42 112.91 116.24 2asy h THR 70 Ca -0.11 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2asy h THR 70 Cb 1.51 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2asy h THR 70 CO 0.15 0.13 0.05 0.00 0.37 0.00 0.00 175.52 176.21 2asy h ALA 71 N 1.37 1.04 0.00 6.16 0.00 -0.19 0.70 119.26 128.33 2asy h ALA 71 Ca 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 2asy h ALA 71 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2asy h ALA 71 CO -0.20 -0.04 -0.41 0.00 0.00 0.00 0.00 179.25 178.60 2asy h ARG 72 N 0.00 0.00 0.00 0.00 -0.00 -1.36 -3.38 114.38 109.64 2asy h ARG 72 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.39 2asy h ARG 72 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.05 2asy h ARG 72 CO 0.00 0.27 -0.44 1.37 0.00 0.00 0.00 179.97 181.17 2asy h LEU 73 N -1.00 0.00 -1.47 3.04 8.10 -0.56 -0.12 115.31 123.30 2asy h LEU 73 Ca -0.06 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.89 2asy h LEU 73 Cb 0.53 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.74 2asy h LEU 73 CO -0.03 0.44 -0.11 0.07 -4.11 0.00 0.00 178.44 174.69 2asy h LYS 74 N 0.00 0.21 0.00 0.17 2.10 0.19 0.37 116.57 119.61 2asy h LYS 74 Ca -0.00 -0.04 -0.08 0.00 -2.00 0.00 0.00 60.65 58.53 2asy h LYS 74 Cb 1.25 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 2asy h LYS 74 CO 0.06 0.33 -0.51 -0.91 -2.00 0.00 0.00 179.45 176.42 2asy h ASN 75 N 0.20 0.00 0.00 7.07 4.21 -1.67 -3.43 115.58 121.96 2asy h ASN 75 Ca 0.04 -0.47 0.00 0.00 1.21 0.00 0.00 56.30 57.08 2asy h ASN 75 Cb 0.33 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 2asy h ASN 75 CO 0.02 1.03 -0.40 0.00 -1.29 0.00 0.00 177.43 176.78 2asy n LEU 76 N -4.58 0.28 0.00 1.61 -0.00 -0.08 -4.97 117.00 109.25 2asy n LEU 76 Ca -0.15 -0.45 0.00 0.00 -0.00 0.00 0.00 56.01 55.41 2asy n LEU 76 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 2asy n LEU 76 CO 0.18 0.07 0.00 0.61 -0.00 0.00 0.00 177.39 178.25 2asy n GLY 77 N 1.25 -0.05 0.00 1.47 0.00 0.11 -4.80 105.19 103.16 2asy n GLY 77 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.10 -4.45 118.33 118.73 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 0.00 0.00 -3.88 1.45 -0.58 -1.26 -4.79 120.64 111.58 2asy n GLU 79 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 2asy n GLU 79 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 2asy n GLU 79 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2asy s GLU 80 N 0.00 1.36 -0.09 3.49 2.02 -1.26 -4.20 118.70 120.02 2asy s GLU 80 Ca 0.00 -1.06 -0.13 0.00 0.02 0.00 0.00 54.97 53.80 2asy s GLU 80 Cb 0.00 0.46 -0.05 0.00 0.10 0.00 0.00 34.13 34.65 2asy s GLU 80 CO 0.00 -0.55 0.31 0.54 0.02 0.00 0.00 175.26 175.58 2asy s VAL 81 N -3.94 5.23 -0.41 2.63 0.11 -1.26 -4.59 120.40 118.18 2asy s VAL 81 Ca 0.15 0.61 -0.23 0.00 -2.93 0.00 0.00 61.98 59.58 2asy s VAL 81 Cb 0.00 -3.62 0.02 0.00 -1.53 0.00 0.00 36.38 31.25 2asy s VAL 81 CO 0.01 0.51 0.77 -0.69 -3.33 0.00 0.00 175.10 172.37 2asy s VAL 82 N -0.47 4.71 -0.10 2.04 1.01 0.90 -4.91 120.40 123.58 2asy s VAL 82 Ca 0.19 0.62 -0.01 0.00 0.00 0.00 0.00 61.98 62.78 2asy s VAL 82 Cb -0.14 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 32.02 2asy s VAL 82 CO 0.08 -0.56 -0.01 0.00 0.00 0.00 0.00 175.10 174.61 2asy s ALA 83 N 3.15 0.90 0.11 5.51 0.00 -1.25 -1.50 121.76 128.68 2asy s ALA 83 Ca 0.30 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 51.97 2asy s ALA 83 Cb -0.13 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 2asy s ALA 83 CO 0.20 -0.57 -0.10 0.15 0.00 0.00 0.00 175.76 175.44 2asy s LYS 84 N 1.89 0.90 -0.27 0.00 3.01 -0.94 -4.87 119.74 119.46 2asy s LYS 84 Ca 0.04 -1.26 -0.03 0.00 -1.01 0.00 0.00 55.97 53.71 2asy s LYS 84 Cb -0.13 -0.51 0.02 0.00 -1.01 0.00 0.00 37.83 36.20 2asy s LYS 84 CO -0.06 0.07 -0.01 0.08 0.51 0.00 0.00 175.35 175.93 2asy s VAL 85 N -2.83 3.24 0.33 3.17 1.01 -1.26 -0.26 120.40 123.80 2asy s VAL 85 Ca 0.09 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.19 2asy s VAL 85 Cb -0.00 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 2asy s VAL 85 CO -0.01 0.13 0.29 0.72 0.00 0.00 0.00 175.10 176.23 2asy s PHE 86 N 1.37 2.91 -0.02 5.22 -0.71 -1.22 -5.03 117.98 120.51 2asy s PHE 86 Ca 0.00 -0.30 0.02 0.00 -1.04 0.00 0.00 56.93 55.62 2asy s PHE 86 Cb -0.17 -1.78 0.00 0.00 -1.21 0.00 0.00 43.02 39.86 2asy s PHE 86 CO -0.02 0.20 -0.08 0.34 -1.34 0.00 0.00 175.22 174.32 2asy s ASP 87 N -3.99 0.99 0.07 1.98 -1.08 -1.26 -4.61 116.67 108.77 2asy s ASP 87 Ca 0.41 -0.15 -0.30 0.00 -0.52 0.00 0.00 52.55 51.98 2asy s ASP 87 Cb -0.06 -0.22 -0.06 0.00 -1.46 0.00 0.00 42.92 41.13 2asy s ASP 87 CO 0.26 0.06 1.18 0.68 0.52 0.00 0.00 175.17 177.88 2asy s VAL 88 N 0.10 4.05 -0.44 1.11 -7.23 -1.26 -4.99 120.40 111.74 2asy s VAL 88 Ca -0.01 1.49 -0.14 0.00 -1.81 0.00 0.00 61.98 61.51 2asy s VAL 88 Cb -0.06 -3.96 0.05 0.00 0.56 0.00 0.00 36.38 32.97 2asy s VAL 88 CO 0.00 0.13 0.33 0.21 -0.31 0.00 0.00 175.10 175.46 2asy s ASN 89 N 0.94 6.06 0.37 4.85 3.84 -1.26 -4.99 114.94 124.75 2asy s ASN 89 Ca 0.57 -1.16 0.06 0.00 0.21 0.00 0.00 52.86 52.54 2asy s ASN 89 Cb -0.29 -2.15 0.71 0.00 -0.55 0.00 0.00 41.25 38.97 2asy s ASN 89 CO 0.30 -0.55 1.93 -0.33 -2.79 0.00 0.00 177.10 175.67 2asy h GLU 90 N 8.65 0.48 -0.68 0.43 5.08 -2.02 -3.20 114.58 123.31 2asy h GLU 90 Ca -0.27 -0.08 0.11 0.00 -1.00 0.00 0.00 59.36 58.11 2asy h GLU 90 Cb 1.11 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 2asy h GLU 90 CO 0.80 0.47 0.46 -1.00 -1.00 0.00 0.00 179.01 178.73 2asy h PRO 91 N 0.47 0.49 -0.02 2.33 0.13 -2.05 -1.94 132.00 131.40 2asy h PRO 91 Ca 0.11 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2asy h PRO 91 Cb 0.22 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.24 2asy h PRO 91 CO -0.00 0.32 0.00 1.28 -0.23 0.00 0.00 178.00 179.37 2asy n LEU 92 N -4.48 1.05 0.28 1.56 7.99 -1.21 -3.64 117.00 118.55 2asy n LEU 92 Ca 0.12 -0.36 0.16 0.00 -0.01 0.00 0.00 56.01 55.91 2asy n LEU 92 Cb 0.39 -0.01 0.84 0.00 -0.11 0.00 0.00 43.42 44.53 2asy n LEU 92 CO 0.33 0.18 1.04 -1.28 -1.51 0.00 0.00 177.39 176.15 2asy h SER 93 N 1.61 0.00 -0.26 -1.43 0.87 -1.52 -2.00 113.55 110.82 2asy h SER 93 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2asy h SER 93 Cb 0.34 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 2asy h SER 93 CO 0.00 0.07 0.13 1.56 -0.53 0.00 0.00 176.83 178.06 2asy h GLN 94 N 0.00 0.41 -0.35 2.24 4.20 -1.77 0.22 115.11 120.05 2asy h GLN 94 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2asy h GLN 94 Cb 0.25 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2asy h GLN 94 CO 0.01 0.33 0.00 -0.89 -0.67 0.00 0.00 178.83 177.61 2asy n ILE 95 N -4.43 0.45 0.19 2.54 -0.00 -0.76 -3.75 119.36 113.60 2asy n ILE 95 Ca 0.01 -0.64 0.09 0.00 -0.00 0.00 0.00 62.75 62.21 2asy n ILE 95 Cb 0.12 0.75 -0.13 0.00 -0.00 0.00 0.00 39.64 40.38 2asy n ILE 95 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 2asy n ASN 96 N 1.15 0.80 -2.29 4.38 2.85 0.02 -4.65 115.26 117.51 2asy n ASN 96 Ca 0.18 -0.21 -0.22 0.00 -0.11 0.00 0.00 54.58 54.22 2asy n ASN 96 Cb 0.52 1.65 -0.07 0.00 1.24 0.00 0.00 39.78 43.12 2asy n ASN 96 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2asy n GLN 97 N -1.98 2.22 -0.05 1.20 6.02 -0.93 -3.81 117.38 120.05 2asy n GLN 97 Ca -0.02 -1.90 -0.05 0.00 -0.01 0.00 0.00 57.00 55.02 2asy n GLN 97 Cb 0.43 -2.03 -0.02 0.00 1.02 0.00 0.00 30.24 29.65 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 1.21 0.45 0.18 -1.58 0.00 -1.26 -4.35 120.51 115.17 2asy n ALA 98 Ca 0.45 -0.54 0.09 0.00 0.00 0.00 0.00 53.44 53.43 2asy n ALA 98 Cb 0.64 0.02 0.11 0.00 0.00 0.00 0.00 19.45 20.21 2asy n ALA 98 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2asy h LYS 99 N -0.52 0.00 -0.19 0.00 1.79 -1.97 -3.20 116.57 112.48 2asy h LYS 99 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2asy h LYS 99 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2asy h LYS 99 CO 0.00 0.17 0.00 1.28 -1.08 0.00 0.00 179.45 179.82 2asy n LEU 100 N -3.12 1.11 0.00 2.94 7.99 -1.25 -5.24 117.00 119.43 2asy n LEU 100 Ca 0.03 -0.54 0.00 0.00 -0.01 0.00 0.00 56.01 55.49 2asy n LEU 100 Cb 0.61 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 2asy n LEU 100 CO 0.37 0.27 0.05 0.00 -1.51 0.00 0.00 177.39 176.56