#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2afc s ILE 3 N 0.00 4.63 -0.28 -3.67 1.10 -1.26 -4.82 121.20 116.90 2afc s ILE 3 Ca 0.00 1.74 -0.20 0.00 -0.51 0.00 0.00 60.65 61.69 2afc s ILE 3 Cb 0.00 -4.17 -0.02 0.00 0.15 0.00 0.00 42.46 38.43 2afc s ILE 3 CO 0.00 0.37 0.60 -0.22 -2.11 0.00 0.00 174.94 173.59 2afc s LEU 4 N -0.16 4.09 -0.20 8.50 2.96 -0.89 -4.96 118.68 128.02 2afc s LEU 4 Ca 0.40 0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 54.81 2afc s LEU 4 Cb -0.21 -2.80 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 2afc s LEU 4 CO 0.25 -0.39 0.02 -0.31 -1.32 0.00 0.00 176.35 174.60 2afc s TYR 5 N 2.50 3.10 0.19 5.38 1.51 -1.26 -0.25 117.35 128.51 2afc s TYR 5 Ca 0.25 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 56.04 2afc s TYR 5 Cb -0.15 -2.09 -0.05 0.00 -0.11 0.00 0.00 41.96 39.56 2afc s TYR 5 CO 0.10 -0.12 0.04 0.96 -1.11 0.00 0.00 175.55 175.42 2afc s ILE 6 N 0.82 0.50 -0.47 2.71 -0.00 -0.40 -4.98 121.20 119.38 2afc s ILE 6 Ca 0.02 -1.97 -0.18 0.00 -0.00 0.00 0.00 60.65 58.51 2afc s ILE 6 Cb -0.14 -2.25 0.05 0.00 -0.00 0.00 0.00 42.46 40.12 2afc s ILE 6 CO 0.02 -0.33 0.53 -0.54 -0.00 0.00 0.00 174.94 174.62 2afc s LYS 7 N -3.98 3.10 0.00 0.37 -0.14 -1.26 -0.35 119.74 117.48 2afc s LYS 7 Ca 0.28 -0.88 0.00 0.00 -1.36 0.00 0.00 55.97 54.02 2afc s LYS 7 Cb 0.07 -4.05 0.00 0.00 -1.68 0.00 0.00 37.83 32.17 2afc s LYS 7 CO 0.06 -1.06 0.00 0.41 -0.76 0.00 0.00 175.35 174.00 2afc n GLY 8 N 5.15 0.96 3.24 -3.33 0.00 -1.15 -4.90 105.19 105.14 2afc n GLY 8 Ca -0.07 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 2afc n GLY 8 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2afc s ASP 9 N 0.36 4.24 0.65 1.61 -1.08 -1.26 -4.07 116.67 117.12 2afc s ASP 9 Ca 0.00 -0.66 0.41 0.00 -0.52 0.00 0.00 52.55 51.77 2afc s ASP 9 Cb 0.00 -1.69 2.25 0.00 -1.46 0.00 0.00 42.92 42.02 2afc s ASP 9 CO 0.00 -0.08 2.31 0.00 0.52 0.00 0.00 175.17 177.92 2afc h ALA 10 N 8.06 1.15 0.00 3.66 0.00 -1.91 0.44 119.26 130.66 2afc h ALA 10 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2afc h ALA 10 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2afc h ALA 10 CO 0.59 -0.04 0.00 0.25 0.00 0.00 0.00 179.25 180.06 2afc n THR 11 N -3.22 0.07 -3.14 0.00 -2.24 -1.26 -3.44 114.28 101.04 2afc n THR 11 Ca -0.03 0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.55 2afc n THR 11 Cb 0.11 -0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 67.74 2afc n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2afc n ALA 12 N -1.25 3.00 -1.70 6.98 0.00 0.15 -5.12 120.51 122.58 2afc n ALA 12 Ca 0.15 -3.89 -0.40 0.00 0.00 0.00 0.00 53.44 49.30 2afc n ALA 12 Cb 0.21 -0.85 0.03 0.00 0.00 0.00 0.00 19.45 18.83 2afc n ALA 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2afc n PRO 13 N 0.36 1.70 -2.39 0.00 -0.04 -1.22 -4.62 135.00 128.78 2afc n PRO 13 Ca 0.27 0.61 -0.24 0.00 -0.04 0.00 0.00 63.50 64.10 2afc n PRO 13 Cb 0.54 -2.40 0.05 0.00 -0.04 0.00 0.00 33.50 31.66 2afc n PRO 13 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2afc s ILE 14 N -1.27 2.62 0.00 0.52 -4.36 -1.26 -4.99 121.20 112.45 2afc s ILE 14 Ca 0.66 -0.37 0.00 0.00 -0.26 0.00 0.00 60.65 60.68 2afc s ILE 14 Cb -0.47 -3.07 0.00 0.00 1.25 0.00 0.00 42.46 40.17 2afc s ILE 14 CO 0.54 -0.07 0.00 0.61 0.24 0.00 0.00 174.94 176.26 2afc n GLY 15 N -2.67 -1.81 3.47 6.27 0.00 -1.26 -5.05 105.19 104.14 2afc n GLY 15 Ca 0.07 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 2afc n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2afc n SER 16 N 0.26 1.76 -0.68 1.61 3.41 -1.26 -5.12 113.62 113.60 2afc n SER 16 Ca 0.00 -3.22 0.09 0.00 -0.26 0.00 0.00 58.87 55.49 2afc n SER 16 Cb 0.00 0.88 -0.03 0.00 -0.26 0.00 0.00 64.21 64.81 2afc n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2afc n GLY 17 N -0.92 -1.74 3.77 5.00 0.00 -1.26 -4.79 105.19 105.25 2afc n GLY 17 Ca -0.10 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 2afc n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2afc s VAL 18 N -1.83 2.43 0.13 1.61 1.01 -1.26 -4.92 120.40 117.57 2afc s VAL 18 Ca 0.00 0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.45 2afc s VAL 18 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2afc s VAL 18 CO 0.00 0.09 -0.15 -0.54 0.00 0.00 0.00 175.10 174.50 2afc s LYS 19 N -1.49 1.06 -0.15 2.72 1.02 -0.55 -1.97 119.74 120.38 2afc s LYS 19 Ca 0.53 -1.26 -0.02 0.00 0.02 0.00 0.00 55.97 55.24 2afc s LYS 19 Cb -0.43 -0.98 0.05 0.00 -0.52 0.00 0.00 37.83 35.95 2afc s LYS 19 CO 0.54 0.19 0.01 0.08 -0.92 0.00 0.00 175.35 175.25 2afc s VAL 20 N -2.10 0.58 -0.16 3.17 1.01 -0.12 -1.37 120.40 121.40 2afc s VAL 20 Ca 0.10 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.47 2afc s VAL 20 Cb -0.05 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 2afc s VAL 20 CO 0.04 -0.01 0.78 -0.63 0.00 0.00 0.00 175.10 175.28 2afc s ILE 21 N 1.85 4.92 -0.09 2.22 1.01 -0.35 -1.91 121.20 128.85 2afc s ILE 21 Ca 0.01 1.53 0.01 0.00 0.00 0.00 0.00 60.65 62.20 2afc s ILE 21 Cb -0.15 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 2afc s ILE 21 CO -0.07 0.06 -0.10 0.42 0.00 0.00 0.00 174.94 175.25 2afc s THR 22 N 1.98 3.42 0.16 2.92 -4.23 -0.29 0.65 115.64 120.25 2afc s THR 22 Ca 0.36 -0.57 -0.10 0.00 -1.18 0.00 0.00 61.69 60.21 2afc s THR 22 Cb -0.17 -2.41 -0.00 0.00 1.34 0.00 0.00 72.50 71.26 2afc s THR 22 CO 0.13 0.57 0.29 -1.38 -0.54 0.00 0.00 174.62 173.68 2afc s HIS 23 N -0.38 0.32 -0.20 3.99 -3.43 -1.08 -4.28 115.29 110.23 2afc s HIS 23 Ca 0.05 -0.69 -0.08 0.00 -0.80 0.00 0.00 55.06 53.54 2afc s HIS 23 Cb -0.12 -0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 30.97 2afc s HIS 23 CO 0.02 -0.71 0.08 0.42 -2.00 0.00 0.00 174.74 172.55 2afc s ILE 24 N -3.94 4.81 0.14 -5.38 -1.09 -1.26 -4.58 121.20 109.90 2afc s ILE 24 Ca 0.15 -0.02 0.06 0.00 -2.23 0.00 0.00 60.65 58.60 2afc s ILE 24 Cb 0.03 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.68 2afc s ILE 24 CO -0.02 0.43 0.04 0.00 -1.23 0.00 0.00 174.94 174.16 2afc s ASN 26 N -2.77 3.42 -0.21 0.00 2.20 -1.26 -2.83 114.94 113.49 2afc s ASN 26 Ca 0.28 0.35 0.15 0.00 -0.94 0.00 0.00 52.86 52.70 2afc s ASN 26 Cb -0.10 -0.49 0.64 0.00 -2.00 0.00 0.00 41.25 39.30 2afc s ASN 26 CO 0.20 -2.55 1.56 -0.90 -2.94 0.00 0.00 177.10 172.48 2afc n ASP 27 N -3.65 4.52 -0.29 3.54 5.75 -0.45 -4.38 116.55 121.60 2afc n ASP 27 Ca 0.14 -3.04 0.03 0.00 -0.01 0.00 0.00 54.79 51.91 2afc n ASP 27 Cb 0.60 -0.61 0.05 0.00 -1.03 0.00 0.00 41.12 40.13 2afc n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2afc n ILE 28 N -0.14 0.47 -0.77 2.12 3.06 -1.26 -4.91 119.36 117.93 2afc n ILE 28 Ca 0.25 -0.74 0.00 0.00 -2.50 0.00 0.00 62.75 59.77 2afc n ILE 28 Cb 1.04 0.83 0.00 0.00 0.54 0.00 0.00 39.64 42.05 2afc n ILE 28 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2afc n GLY 29 N 0.19 0.64 3.74 4.50 0.00 -1.26 -5.04 105.19 107.96 2afc n GLY 29 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2afc n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2afc s GLY 30 N -1.98 2.90 -0.39 -0.02 0.00 -1.26 -4.95 107.32 101.63 2afc s GLY 30 Ca 0.00 0.41 0.03 0.00 0.00 0.00 0.00 44.72 45.16 2afc s GLY 30 CO 0.00 1.20 0.34 0.86 0.00 0.00 0.00 173.10 175.50 2afc s TRP 31 N -0.24 0.26 0.00 1.90 -0.11 -1.26 -4.59 118.94 114.91 2afc s TRP 31 Ca 0.41 -1.44 0.00 0.00 1.22 0.00 0.00 56.10 56.29 2afc s TRP 31 Cb -0.22 -0.63 0.00 0.00 -1.50 0.00 0.00 33.47 31.12 2afc s TRP 31 CO 0.26 -0.92 0.00 0.41 -4.62 0.00 0.00 176.95 172.09 2afc n GLY 32 N 3.71 0.82 3.88 5.86 0.00 -1.26 -5.03 105.19 113.17 2afc n GLY 32 Ca 0.17 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2afc n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2afc s LYS 33 N 0.36 3.70 0.00 1.61 2.20 -1.26 -4.26 119.74 122.08 2afc s LYS 33 Ca 0.00 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.10 2afc s LYS 33 Cb 0.00 -2.30 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 2afc s LYS 33 CO 0.00 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 2afc n GLY 34 N -1.87 -0.92 0.37 5.54 0.00 -1.26 -4.53 105.19 102.52 2afc n GLY 34 Ca 0.03 -2.04 0.12 0.00 0.00 0.00 0.00 46.02 44.13 2afc n GLY 34 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2afc h PHE 35 N 0.00 0.67 -0.29 1.61 3.57 -1.99 -0.19 116.94 120.32 2afc h PHE 35 Ca 0.00 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.60 2afc h PHE 35 Cb 0.00 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 2afc h PHE 35 CO 0.00 0.28 0.30 -0.39 -2.23 0.00 0.00 178.31 176.27 2afc h VAL 36 N 0.60 0.47 -0.09 1.41 -1.51 -1.88 0.11 116.25 115.36 2afc h VAL 36 Ca 0.38 0.00 -0.23 0.00 -1.23 0.00 0.00 66.70 65.62 2afc h VAL 36 Cb 0.65 0.76 0.01 0.00 -2.13 0.00 0.00 31.29 30.58 2afc h VAL 36 CO -0.14 0.00 -0.87 -0.07 -1.23 0.00 0.00 177.57 175.26 2afc h LEU 37 N 0.00 0.87 -1.30 4.19 3.38 -1.20 -1.12 115.31 120.13 2afc h LEU 37 Ca 0.14 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2afc h LEU 37 Cb 0.75 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2afc h LEU 37 CO -0.00 1.41 0.08 0.00 0.09 0.00 0.00 178.44 180.03 2afc h ALA 38 N 0.56 1.44 0.57 1.53 0.00 -0.86 0.10 119.26 122.60 2afc h ALA 38 Ca -0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2afc h ALA 38 Cb 1.50 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.13 2afc h ALA 38 CO 0.17 0.41 -0.28 -0.07 0.00 0.00 0.00 179.25 179.48 2afc h LEU 39 N 0.55 -0.65 -2.65 0.00 3.38 -1.14 -3.05 115.31 111.75 2afc h LEU 39 Ca 0.13 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2afc h LEU 39 Cb 0.22 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2afc h LEU 39 CO -0.00 -0.26 0.09 0.28 0.09 0.00 0.00 178.44 178.63 2afc h SER 40 N -1.15 0.00 -0.08 -0.43 0.02 -1.02 0.26 113.55 111.16 2afc h SER 40 Ca -0.08 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 2afc h SER 40 Cb 0.63 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 2afc h SER 40 CO 0.13 0.00 -0.16 0.50 -1.14 0.00 0.00 176.83 176.16 2afc h LYS 41 N 0.00 0.44 0.00 3.45 3.64 -0.68 -3.30 116.57 120.11 2afc h LYS 41 Ca 0.01 -0.13 -0.37 0.00 -1.27 0.00 0.00 60.65 58.89 2afc h LYS 41 Cb 0.18 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.89 2afc h LYS 41 CO -0.00 0.59 -2.42 1.63 -2.27 0.00 0.00 179.45 176.98 2afc n LYS 42 N -4.19 0.63 -4.27 1.90 5.02 -0.13 -5.00 118.16 112.12 2afc n LYS 42 Ca 0.00 0.14 -0.17 0.00 -2.02 0.00 0.00 58.31 56.25 2afc n LYS 42 Cb 0.34 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.70 2afc n LYS 42 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2afc s TRP 43 N -2.50 0.66 -0.75 2.13 0.51 0.75 -5.13 118.94 114.61 2afc s TRP 43 Ca -0.33 -0.13 -0.04 0.00 -2.12 0.00 0.00 56.10 53.49 2afc s TRP 43 Cb 0.09 -0.43 0.15 0.00 -0.81 0.00 0.00 33.47 32.47 2afc s TRP 43 CO 0.59 -0.02 2.47 0.36 -0.51 0.00 0.00 176.95 179.84 2afc n LYS 44 N 2.93 3.14 0.00 4.98 2.85 -1.26 -3.17 118.16 127.63 2afc n LYS 44 Ca -0.13 -2.98 0.00 0.00 -1.05 0.00 0.00 58.31 54.14 2afc n LYS 44 Cb 0.57 -2.29 0.00 0.00 -0.65 0.00 0.00 35.03 32.66 2afc n LYS 44 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2afc n PRO 46 N 0.68 0.00 -0.00 -1.58 -0.02 -1.26 -0.53 135.00 132.28 2afc n PRO 46 Ca 0.52 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.90 2afc n PRO 46 Cb 0.41 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.84 2afc n PRO 46 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2afc h GLU 47 N 0.00 0.01 -0.63 -0.52 4.81 -1.94 -0.52 114.58 115.79 2afc h GLU 47 Ca 0.00 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 2afc h GLU 47 Cb 0.00 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 2afc h GLU 47 CO 0.00 0.00 0.28 1.49 -0.73 0.00 0.00 179.01 180.06 2afc h GLU 48 N 0.01 0.49 0.07 1.92 4.81 -1.19 -1.01 114.58 119.67 2afc h GLU 48 Ca 0.05 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2afc h GLU 48 Cb 0.08 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2afc h GLU 48 CO -0.11 0.32 -0.03 0.00 -0.73 0.00 0.00 179.01 178.46 2afc h ALA 49 N 1.40 -0.09 -0.41 2.92 0.00 -1.67 -2.44 119.26 118.97 2afc h ALA 49 Ca 0.31 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.26 2afc h ALA 49 Cb 0.33 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 2afc h ALA 49 CO -0.27 -0.53 -0.06 -0.92 0.00 0.00 0.00 179.25 177.47 2afc h TYR 50 N -0.13 -0.13 -0.69 0.00 3.20 -0.45 -1.51 116.97 117.26 2afc h TYR 50 Ca -0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2afc h TYR 50 Cb 0.11 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 2afc h TYR 50 CO -0.06 -0.14 0.35 0.00 -1.64 0.00 0.00 178.16 176.68 2afc h ARG 51 N 0.04 0.98 -0.43 1.82 3.08 -1.11 -1.00 114.38 117.76 2afc h ARG 51 Ca 0.20 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 2afc h ARG 51 Cb 0.30 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2afc h ARG 51 CO -0.39 0.75 -0.02 1.96 -1.07 0.00 0.00 179.97 181.21 2afc h GLN 52 N 0.95 0.71 -0.42 0.04 4.20 -1.06 -2.11 115.11 117.43 2afc h GLN 52 Ca 0.24 -0.19 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 2afc h GLN 52 Cb 0.08 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2afc h GLN 52 CO -0.03 0.74 -0.28 2.35 -0.67 0.00 0.00 178.83 180.93 2afc h TRP 53 N 0.67 1.10 -0.23 2.96 7.01 -0.97 -0.37 115.95 126.13 2afc h TRP 53 Ca 0.13 -0.30 -0.00 0.00 2.11 0.00 0.00 58.89 60.83 2afc h TRP 53 Cb 0.44 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.24 2afc h TRP 53 CO 0.02 1.11 0.12 -0.92 -2.79 0.00 0.00 178.44 175.99 2afc h TYR 54 N 0.77 0.31 -0.02 2.65 3.20 -0.90 -1.61 116.97 121.37 2afc h TYR 54 Ca 0.08 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.84 2afc h TYR 54 Cb 0.87 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 2afc h TYR 54 CO 0.06 0.28 -0.50 0.87 -1.64 0.00 0.00 178.16 177.23 2afc h LYS 55 N 0.26 0.05 -0.10 1.82 1.57 -1.36 -3.02 116.57 115.79 2afc h LYS 55 Ca 0.08 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 2afc h LYS 55 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2afc h LYS 55 CO -0.01 0.54 -0.51 0.66 -0.57 0.00 0.00 179.45 179.56 2afc h SER 56 N 0.04 0.30 -2.24 0.86 4.64 -0.77 -3.47 113.55 112.92 2afc h SER 56 Ca -0.00 -0.15 -0.39 0.00 -0.47 0.00 0.00 61.79 60.77 2afc h SER 56 Cb 0.89 -0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 62.84 2afc h SER 56 CO 0.07 0.76 -0.46 0.00 -0.87 0.00 0.00 176.83 176.32 2afc n GLN 57 N -3.95 -1.50 -2.96 4.77 6.02 -0.63 -4.92 117.38 114.20 2afc n GLN 57 Ca -0.02 1.02 -0.44 0.00 -0.01 0.00 0.00 57.00 57.55 2afc n GLN 57 Cb 0.55 -5.53 -0.03 0.00 1.02 0.00 0.00 30.24 26.24 2afc n GLN 57 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2afc s GLU 58 N -4.58 3.27 -1.47 -1.09 8.01 -1.26 -4.32 118.70 117.26 2afc s GLU 58 Ca 0.00 -1.33 -0.10 0.00 0.01 0.00 0.00 54.97 53.55 2afc s GLU 58 Cb 0.00 -4.47 0.06 0.00 -4.31 0.00 0.00 34.13 25.41 2afc s GLU 58 CO 0.00 -1.71 0.89 0.39 0.01 0.00 0.00 175.26 174.84 2afc n GLU 59 N 6.83 -5.29 -2.99 1.61 1.02 -1.26 -4.91 120.64 115.65 2afc n GLU 59 Ca 0.05 0.60 -0.44 0.00 -0.02 0.00 0.00 57.16 57.34 2afc n GLU 59 Cb 0.46 -5.38 -0.04 0.00 -0.02 0.00 0.00 31.44 26.46 2afc n GLU 59 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2afc s PHE 60 N -3.42 2.86 0.09 -0.32 5.36 -1.26 -4.88 117.98 116.41 2afc s PHE 60 Ca 0.47 -0.79 -0.14 0.00 -0.96 0.00 0.00 56.93 55.51 2afc s PHE 60 Cb -0.24 -4.15 0.02 0.00 -0.34 0.00 0.00 43.02 38.32 2afc s PHE 60 CO 0.83 -1.46 0.33 0.99 -1.46 0.00 0.00 175.22 174.45 2afc s THR 61 N 3.29 0.09 0.30 0.12 2.01 -1.26 -5.02 115.64 115.17 2afc s THR 61 Ca 0.17 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 2afc s THR 61 Cb -0.20 -1.15 -0.12 0.00 0.01 0.00 0.00 72.50 71.03 2afc s THR 61 CO 0.08 -0.41 1.46 0.18 -0.69 0.00 0.00 174.62 175.24 2afc n LEU 62 N 0.02 3.91 0.00 4.42 4.77 -1.26 -1.48 117.00 127.37 2afc n LEU 62 Ca -0.16 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 2afc n LEU 62 Cb 0.62 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 2afc n LEU 62 CO 0.19 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 2afc n GLY 63 N 1.59 3.11 3.84 -0.72 0.00 0.33 -4.97 105.19 108.37 2afc n GLY 63 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2afc n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2afc s ALA 64 N -2.94 2.77 -0.00 4.61 0.00 -0.55 -2.98 121.76 122.67 2afc s ALA 64 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.88 2afc s ALA 64 Cb 0.00 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 19.99 2afc s ALA 64 CO 0.00 -1.12 0.06 0.08 0.00 0.00 0.00 175.76 174.78 2afc s VAL 65 N -3.13 0.07 -0.13 0.00 1.01 -1.26 -2.37 120.40 114.59 2afc s VAL 65 Ca 0.57 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2afc s VAL 65 Cb -0.13 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 35.99 2afc s VAL 65 CO 0.54 -0.31 -0.16 -1.58 0.00 0.00 0.00 175.10 173.60 2afc s GLN 66 N -0.99 2.34 -0.28 2.72 0.74 -0.82 -4.97 119.66 118.41 2afc s GLN 66 Ca -0.11 -0.59 -0.10 0.00 0.05 0.00 0.00 55.36 54.61 2afc s GLN 66 Cb -0.06 -2.03 -0.04 0.00 1.10 0.00 0.00 33.01 31.98 2afc s GLN 66 CO 0.00 -0.12 0.15 -0.06 -0.55 0.00 0.00 175.29 174.72 2afc s PHE 67 N 1.14 3.18 -0.29 1.67 0.40 -1.26 -0.70 117.98 122.11 2afc s PHE 67 Ca -0.03 -0.15 -0.06 0.00 -0.60 0.00 0.00 56.93 56.09 2afc s PHE 67 Cb -0.14 -2.34 0.01 0.00 0.51 0.00 0.00 43.02 41.06 2afc s PHE 67 CO -0.05 -0.27 0.07 0.08 0.70 0.00 0.00 175.22 175.75 2afc s VAL 68 N 1.70 3.87 -0.60 -0.44 1.01 0.40 -4.90 120.40 121.43 2afc s VAL 68 Ca 0.06 -0.73 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 2afc s VAL 68 Cb -0.16 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.24 2afc s VAL 68 CO 0.08 0.09 1.45 0.21 0.00 0.00 0.00 175.10 176.92 2afc s ASN 69 N 1.48 6.02 0.04 3.32 3.04 -1.26 -0.70 114.94 126.89 2afc s ASN 69 Ca 0.02 0.14 0.22 0.00 0.04 0.00 0.00 52.86 53.28 2afc s ASN 69 Cb -0.17 -2.55 -0.21 0.00 -1.54 0.00 0.00 41.25 36.78 2afc s ASN 69 CO 0.02 -1.82 0.66 1.33 -3.04 0.00 0.00 177.10 174.25 2afc n VAL 70 N 6.81 0.38 -4.04 -5.21 0.24 -0.68 -4.99 118.33 110.84 2afc n VAL 70 Ca 0.11 -0.55 -0.14 0.00 -2.04 0.00 0.00 64.34 61.73 2afc n VAL 70 Cb 0.49 -0.19 -0.03 0.00 -1.47 0.00 0.00 33.84 32.64 2afc n VAL 70 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2afc s GLU 71 N -3.36 1.98 0.24 7.34 0.41 -1.14 -5.05 118.70 119.11 2afc s GLU 71 Ca -0.05 -1.70 -0.30 0.00 -0.41 0.00 0.00 54.97 52.50 2afc s GLU 71 Cb 0.12 0.48 -0.10 0.00 -1.78 0.00 0.00 34.13 32.85 2afc s GLU 71 CO 0.86 -0.84 1.38 1.21 -0.49 0.00 0.00 175.26 177.38 2afc s ASN 72 N -3.21 6.75 -1.23 -0.19 2.47 -1.26 -2.68 114.94 115.60 2afc s ASN 72 Ca 0.28 2.57 -0.04 0.00 0.42 0.00 0.00 52.86 56.09 2afc s ASN 72 Cb -0.01 -2.62 0.03 0.00 -1.45 0.00 0.00 41.25 37.19 2afc s ASN 72 CO 0.19 -0.62 0.26 0.29 -3.72 0.00 0.00 177.10 173.49 2afc n LYS 73 N 2.30 -2.99 -3.70 0.43 5.02 -1.26 -4.94 118.16 113.02 2afc n LYS 73 Ca 0.06 0.61 -0.13 0.00 -2.02 0.00 0.00 58.31 56.83 2afc n LYS 73 Cb 0.41 -5.29 -0.14 0.00 -0.02 0.00 0.00 35.03 30.00 2afc n LYS 73 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2afc s LEU 74 N -6.08 0.14 0.31 -0.35 2.96 -1.09 -1.48 118.68 113.09 2afc s LEU 74 Ca 0.18 0.49 0.06 0.00 -0.22 0.00 0.00 54.13 54.65 2afc s LEU 74 Cb -0.09 0.62 -0.06 0.00 0.50 0.00 0.00 46.19 47.15 2afc s LEU 74 CO 0.22 -0.20 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.73 2afc s TYR 75 N 1.78 2.03 -0.05 5.38 1.51 -0.47 -1.69 117.35 125.82 2afc s TYR 75 Ca -0.04 -0.76 0.03 0.00 -1.01 0.00 0.00 57.07 55.29 2afc s TYR 75 Cb -0.11 -1.24 0.00 0.00 -0.11 0.00 0.00 41.96 40.50 2afc s TYR 75 CO -0.08 0.23 -0.14 0.08 -1.11 0.00 0.00 175.55 174.53 2afc s VAL 76 N -3.05 1.26 -0.35 0.71 1.01 0.12 -1.21 120.40 118.88 2afc s VAL 76 Ca 0.32 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 2afc s VAL 76 Cb 0.06 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.35 2afc s VAL 76 CO 0.14 0.37 0.18 0.00 0.00 0.00 0.00 175.10 175.79 2afc s ALA 77 N 0.33 3.23 0.65 5.51 0.00 0.21 -0.46 121.76 131.24 2afc s ALA 77 Ca -0.09 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.18 2afc s ALA 77 Cb -0.13 -2.48 0.05 0.00 0.00 0.00 0.00 23.12 20.55 2afc s ALA 77 CO 0.03 -1.26 0.94 -0.80 0.00 0.00 0.00 175.76 174.66 2afc s ASN 78 N 1.54 4.98 -0.37 0.00 0.01 0.12 -2.65 114.94 118.57 2afc s ASN 78 Ca 0.02 0.32 0.05 0.00 -0.71 0.00 0.00 52.86 52.55 2afc s ASN 78 Cb -0.19 -1.06 0.17 0.00 0.41 0.00 0.00 41.25 40.58 2afc s ASN 78 CO 0.06 -1.44 0.50 -0.63 -1.51 0.00 0.00 177.10 174.08 2afc s ILE 80 N -3.09 -0.70 -0.27 0.60 1.01 -1.00 -1.94 121.20 115.81 2afc s ILE 80 Ca 0.59 -0.41 0.21 0.00 0.00 0.00 0.00 60.65 61.05 2afc s ILE 80 Cb -0.11 -0.47 0.50 0.00 0.01 0.00 0.00 42.46 42.40 2afc s ILE 80 CO 0.43 -0.26 1.10 0.61 0.00 0.00 0.00 174.94 176.82 2afc n GLY 81 N 4.57 2.08 3.07 6.18 0.00 -1.13 -0.51 105.19 119.45 2afc n GLY 81 Ca 0.09 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 2afc n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2afc s GLN 82 N -3.72 0.19 -0.54 1.61 0.74 -1.22 -2.26 119.66 114.47 2afc s GLN 82 Ca 0.29 0.80 -0.19 0.00 0.05 0.00 0.00 55.36 56.31 2afc s GLN 82 Cb 0.34 0.04 0.07 0.00 1.10 0.00 0.00 33.01 34.57 2afc s GLN 82 CO -0.03 -0.27 0.67 -1.58 -0.55 0.00 0.00 175.29 173.54 2afc s HIS 83 N 2.37 3.01 0.00 1.67 5.65 -0.41 -1.34 115.29 126.25 2afc s HIS 83 Ca -0.00 -0.67 0.00 0.00 0.25 0.00 0.00 55.06 54.64 2afc s HIS 83 Cb -0.12 -3.74 0.00 0.00 -1.18 0.00 0.00 32.58 27.54 2afc s HIS 83 CO -0.10 -1.15 0.00 0.41 -0.65 0.00 0.00 174.74 173.25 2afc n GLY 84 N 5.21 -1.99 0.00 1.59 0.00 -1.26 -4.40 105.19 104.34 2afc n GLY 84 Ca -0.07 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2afc n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2afc n ILE 85 N 0.00 0.19 -4.37 -0.61 5.41 -1.26 -4.73 119.36 113.99 2afc n ILE 85 Ca 0.00 -0.40 -0.20 0.00 1.00 0.00 0.00 62.75 63.15 2afc n ILE 85 Cb 0.00 1.17 -0.09 0.00 -0.71 0.00 0.00 39.64 40.00 2afc n ILE 85 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 2afc s TYR 86 N -0.19 1.65 -0.41 1.39 1.13 -1.26 -4.95 117.35 114.71 2afc s TYR 86 Ca 0.00 -1.29 -0.28 0.00 -1.41 0.00 0.00 57.07 54.09 2afc s TYR 86 Cb 0.00 -0.94 0.02 0.00 -1.10 0.00 0.00 41.96 39.94 2afc s TYR 86 CO 0.00 -0.41 1.06 0.21 -2.51 0.00 0.00 175.55 173.89 2afc s LYS 87 N -3.84 3.84 1.09 -3.49 2.47 -1.26 -3.93 119.74 114.62 2afc s LYS 87 Ca 0.34 0.69 -0.13 0.00 -1.56 0.00 0.00 55.97 55.31 2afc s LYS 87 Cb 0.05 -3.84 0.24 0.00 -1.46 0.00 0.00 37.83 32.83 2afc s LYS 87 CO 0.16 -1.13 1.07 0.16 0.16 0.00 0.00 175.35 175.77 2afc s ASP 88 N 2.08 1.74 0.64 1.43 3.84 -0.82 -4.84 116.67 120.74 2afc s ASP 88 Ca 0.44 1.20 0.38 0.00 -0.00 0.00 0.00 52.55 54.58 2afc s ASP 88 Cb -0.10 -1.87 2.15 0.00 -1.38 0.00 0.00 42.92 41.72 2afc s ASP 88 CO 0.24 -3.68 2.28 0.77 -0.00 0.00 0.00 175.17 174.78 2afc h SER 89 N -2.27 0.00 -0.06 2.11 4.64 -1.96 -1.04 113.55 114.98 2afc h SER 89 Ca -0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2afc h SER 89 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2afc h SER 89 CO 0.53 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.78 2afc n LYS 90 N -3.32 1.30 -2.06 4.77 5.02 -1.26 -4.88 118.16 117.73 2afc n LYS 90 Ca -0.02 -0.46 -0.00 0.00 -2.02 0.00 0.00 58.31 55.81 2afc n LYS 90 Cb 0.12 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2afc n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2afc n GLY 91 N 0.96 0.42 3.42 0.72 0.00 -0.39 -5.06 105.19 105.26 2afc n GLY 91 Ca 0.16 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 2afc n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2afc s LEU 92 N -0.20 2.80 1.06 0.99 1.43 -1.24 -4.95 118.68 118.56 2afc s LEU 92 Ca 0.00 -0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 2afc s LEU 92 Cb -0.00 -1.62 0.22 0.00 0.03 0.00 0.00 46.19 44.82 2afc s LEU 92 CO 0.00 0.22 1.08 -2.16 0.23 0.00 0.00 176.35 175.72 2afc s PRO 93 N 0.06 -0.05 0.12 1.29 0.04 -1.26 -1.95 135.00 133.25 2afc s PRO 93 Ca -0.04 0.46 -0.26 0.00 0.04 0.00 0.00 61.00 61.19 2afc s PRO 93 Cb -0.14 -1.69 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 2afc s PRO 93 CO 0.04 -3.04 1.63 -1.35 0.04 0.00 0.00 177.00 174.33 2afc h PRO 94 N -2.11 -0.42 -5.39 0.56 0.11 -1.58 -3.45 132.00 119.71 2afc h PRO 94 Ca -0.55 0.03 -0.60 0.00 0.11 0.00 0.00 66.00 64.99 2afc h PRO 94 Cb 1.33 0.10 0.10 0.00 0.11 0.00 0.00 31.00 32.64 2afc h PRO 94 CO 0.54 -0.28 -0.48 1.51 -0.21 0.00 0.00 178.00 179.08 2afc n ILE 95 N -5.38 1.77 -3.76 4.15 0.13 -0.66 -1.29 119.36 114.32 2afc n ILE 95 Ca -0.06 -0.45 -0.30 0.00 -1.10 0.00 0.00 62.75 60.85 2afc n ILE 95 Cb 0.29 0.00 -0.15 0.00 -0.84 0.00 0.00 39.64 38.94 2afc n ILE 95 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 2afc s ARG 96 N -0.90 0.80 0.20 9.51 1.81 -0.96 -4.77 118.95 124.65 2afc s ARG 96 Ca 0.57 -1.02 -0.11 0.00 -1.72 0.00 0.00 55.73 53.45 2afc s ARG 96 Cb -0.83 -2.10 0.17 0.00 -0.45 0.00 0.00 34.95 31.74 2afc s ARG 96 CO 0.50 -0.91 1.84 1.88 -0.68 0.00 0.00 175.30 177.93 2afc h TYR 97 N 8.08 0.78 -0.76 -0.53 0.05 -1.93 -0.95 116.97 121.70 2afc h TYR 97 Ca -0.14 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.69 2afc h TYR 97 Cb 1.03 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 38.47 2afc h TYR 97 CO 0.36 0.45 0.48 -0.44 -1.05 0.00 0.00 178.16 177.97 2afc h ASP 98 N 0.82 0.80 -0.72 3.88 3.32 -1.97 0.24 116.42 122.80 2afc h ASP 98 Ca 0.26 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 2afc h ASP 98 Cb 0.01 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2afc h ASP 98 CO -0.10 0.56 0.19 0.00 -1.72 0.00 0.00 179.24 178.17 2afc h ALA 99 N 1.31 0.97 -0.75 3.45 0.00 -1.80 -2.30 119.26 120.14 2afc h ALA 99 Ca 0.30 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2afc h ALA 99 Cb -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2afc h ALA 99 CO -0.10 0.67 0.33 0.28 0.00 0.00 0.00 179.25 180.43 2afc h VAL 100 N 1.09 1.25 -0.78 0.00 2.07 -0.24 0.20 116.25 119.84 2afc h VAL 100 Ca 0.23 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 67.04 2afc h VAL 100 Cb 0.35 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 2afc h VAL 100 CO -0.00 0.31 0.49 0.03 0.02 0.00 0.00 177.57 178.42 2afc h ARG 101 N 1.07 0.93 -0.47 1.57 3.08 -0.17 -0.94 114.38 119.46 2afc h ARG 101 Ca 0.26 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.15 2afc h ARG 101 Cb 0.17 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2afc h ARG 101 CO -0.03 0.62 -0.11 1.96 -1.07 0.00 0.00 179.97 181.34 2afc h GLN 102 N 0.96 0.90 -0.14 0.04 4.20 -0.85 -1.72 115.11 118.49 2afc h GLN 102 Ca 0.31 -0.34 0.02 0.00 0.06 0.00 0.00 58.65 58.70 2afc h GLN 102 Cb 0.02 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2afc h GLN 102 CO -0.11 0.99 0.00 0.00 -0.67 0.00 0.00 178.83 179.04 2afc h LEU 104 N 0.05 0.00 -0.73 0.00 3.38 -1.12 0.58 115.31 117.47 2afc h LEU 104 Ca 0.07 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2afc h LEU 104 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2afc h LEU 104 CO -0.11 0.11 -0.07 0.50 0.09 0.00 0.00 178.44 178.97 2afc h LYS 105 N 0.00 0.90 -0.25 1.13 1.63 -0.30 0.10 116.57 119.79 2afc h LYS 105 Ca -0.00 -0.30 -0.16 0.00 -0.85 0.00 0.00 60.65 59.35 2afc h LYS 105 Cb 0.36 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2afc h LYS 105 CO 0.01 0.94 -0.45 0.93 -3.45 0.00 0.00 179.45 177.43 2afc h GLU 106 N 0.82 0.75 -0.53 1.90 4.39 -0.05 -2.93 114.58 118.93 2afc h GLU 106 Ca 0.14 -0.47 0.01 0.00 0.34 0.00 0.00 59.36 59.38 2afc h GLU 106 Cb 0.58 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 2afc h GLU 106 CO 0.04 1.10 0.34 0.28 -1.16 0.00 0.00 179.01 179.60 2afc h VAL 107 N 0.48 1.10 -0.17 3.13 2.07 -0.73 -2.06 116.25 120.07 2afc h VAL 107 Ca 0.01 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.34 2afc h VAL 107 Cb 1.06 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 2afc h VAL 107 CO 0.10 0.12 -0.46 0.00 0.02 0.00 0.00 177.57 177.35 2afc h ALA 108 N 1.21 -0.67 -0.72 1.67 0.00 -0.73 0.33 119.26 120.33 2afc h ALA 108 Ca 0.20 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.17 2afc h ALA 108 Cb -0.04 0.88 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 2afc h ALA 108 CO -0.06 -0.98 0.47 -0.07 0.00 0.00 0.00 179.25 178.62 2afc h LEU 109 N -0.50 0.61 -0.06 0.00 3.38 -1.31 -1.96 115.31 115.46 2afc h LEU 109 Ca 0.07 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2afc h LEU 109 Cb 0.64 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2afc h LEU 109 CO -0.44 0.38 -0.32 0.15 0.09 0.00 0.00 178.44 178.31 2afc h PHE 110 N 0.69 0.44 -0.74 1.13 3.04 -0.49 -2.06 116.94 118.95 2afc h PHE 110 Ca 0.32 -0.19 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 2afc h PHE 110 Cb 0.36 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.76 2afc h PHE 110 CO -0.00 0.93 0.42 1.79 -2.02 0.00 0.00 178.31 179.43 2afc h THR 111 N -0.18 1.22 -0.48 4.41 1.35 -0.15 0.50 112.91 119.58 2afc h THR 111 Ca -0.02 -0.53 -0.11 0.00 -0.55 0.00 0.00 66.41 65.20 2afc h THR 111 Cb 0.97 0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 2afc h THR 111 CO 0.07 0.24 -0.12 0.40 -0.25 0.00 0.00 175.52 175.85 2afc h ILE 112 N 1.02 1.27 -0.59 6.82 2.04 -1.44 0.46 117.51 127.09 2afc h ILE 112 Ca 0.26 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 2afc h ILE 112 Cb 0.01 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2afc h ILE 112 CO -0.04 0.44 0.28 0.00 0.00 0.00 0.00 178.15 178.82 2afc h ALA 113 N 0.88 1.39 -0.57 1.87 0.00 -0.87 -2.69 119.26 119.27 2afc h ALA 113 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2afc h ALA 113 Cb 0.68 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2afc h ALA 113 CO 0.05 0.48 0.00 0.72 0.00 0.00 0.00 179.25 180.50 2afc n HIS 114 N -4.36 0.76 -3.83 0.00 8.25 0.12 -4.94 115.22 111.22 2afc n HIS 114 Ca 0.05 -0.44 -0.30 0.00 -0.26 0.00 0.00 57.72 56.77 2afc n HIS 114 Cb 0.13 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.25 2afc n HIS 114 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2afc n LYS 115 N 1.35 -4.88 -3.11 -0.41 5.02 0.11 -4.75 118.16 111.48 2afc n LYS 115 Ca 0.20 0.57 -0.20 0.00 -2.02 0.00 0.00 58.31 56.85 2afc n LYS 115 Cb 0.57 -5.41 0.06 0.00 -0.02 0.00 0.00 35.03 30.22 2afc n LYS 115 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2afc s ALA 116 N -3.23 4.71 0.28 7.82 0.00 0.12 -4.55 121.76 126.91 2afc s ALA 116 Ca 0.62 -2.09 0.09 0.00 0.00 0.00 0.00 51.96 50.58 2afc s ALA 116 Cb -0.32 -1.38 -0.06 0.00 0.00 0.00 0.00 23.12 21.37 2afc s ALA 116 CO 0.77 -0.86 -0.12 0.45 0.00 0.00 0.00 175.76 176.00 2afc s SER 117 N -4.65 3.18 -0.13 0.00 0.15 -0.83 -4.69 113.70 106.72 2afc s SER 117 Ca 0.60 -1.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.11 2afc s SER 117 Cb -0.05 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.00 2afc s SER 117 CO 0.38 -0.18 -0.10 -0.69 1.20 0.00 0.00 173.24 173.85 2afc s VAL 118 N -2.78 3.36 0.05 4.45 1.01 -0.19 -0.94 120.40 125.36 2afc s VAL 118 Ca 0.29 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2afc s VAL 118 Cb 0.00 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 2afc s VAL 118 CO 0.13 0.52 -0.13 -1.00 0.00 0.00 0.00 175.10 174.62 2afc s HIS 119 N 0.23 1.10 0.10 5.22 3.76 -0.80 -1.08 115.29 123.81 2afc s HIS 119 Ca -0.06 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.45 2afc s HIS 119 Cb -0.15 -0.64 0.01 0.00 1.11 0.00 0.00 32.58 32.91 2afc s HIS 119 CO 0.04 0.02 0.06 -0.35 -0.85 0.00 0.00 174.74 173.67 2afc n PRO 121 N 1.66 1.42 -1.79 8.40 -0.04 -1.26 -1.14 135.00 142.26 2afc n PRO 121 Ca -0.20 -0.65 -0.41 0.00 -0.04 0.00 0.00 63.50 62.20 2afc n PRO 121 Cb 0.55 0.09 -0.02 0.00 -0.04 0.00 0.00 33.50 34.08 2afc n PRO 121 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2afc n ARG 122 N -0.65 2.46 -1.65 0.54 1.74 -1.25 -4.68 116.66 113.16 2afc n ARG 122 Ca -0.01 -2.53 -0.46 0.00 -0.77 0.00 0.00 57.85 54.08 2afc n ARG 122 Cb 0.12 -3.28 -0.03 0.00 -1.02 0.00 0.00 32.46 28.25 2afc n ARG 122 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2afc n ILE 123 N 5.84 0.89 -0.19 0.55 -5.35 -1.26 -2.52 119.36 117.33 2afc n ILE 123 Ca 0.50 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.76 2afc n ILE 123 Cb 0.41 -1.32 0.00 0.00 -1.74 0.00 0.00 39.64 36.99 2afc n ILE 123 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2afc n GLY 124 N 2.17 0.98 3.76 3.28 0.00 -1.26 -4.96 105.19 109.15 2afc n GLY 124 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2afc n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2afc n GLY 126 N 3.18 3.02 5.00 0.00 0.00 -1.26 -4.87 105.19 110.25 2afc n GLY 126 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2afc n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2afc n ALA 128 N -0.78 0.00 -0.56 4.61 0.00 -1.26 -4.83 120.51 117.69 2afc n ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2afc n ALA 128 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2afc n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2afc n GLY 129 N 0.00 0.66 3.88 0.00 0.00 -1.24 -1.65 105.19 106.83 2afc n GLY 129 Ca 0.00 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 2afc n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2afc s GLY 130 N -2.55 2.29 -0.17 -0.02 0.00 0.16 -4.87 107.32 102.17 2afc s GLY 130 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 44.72 44.12 2afc s GLY 130 CO 0.00 -0.32 0.21 0.54 0.00 0.00 0.00 173.10 173.54 2afc s LYS 131 N -2.12 4.14 0.56 2.90 1.02 -1.26 -4.20 119.74 120.79 2afc s LYS 131 Ca 0.34 -0.05 0.28 0.00 0.02 0.00 0.00 55.97 56.56 2afc s LYS 131 Cb -0.13 -3.40 1.65 0.00 -0.52 0.00 0.00 37.83 35.43 2afc s LYS 131 CO 0.20 0.33 2.18 2.35 -0.92 0.00 0.00 175.35 179.48 2afc h TRP 132 N 6.46 0.00 0.00 3.18 2.91 -1.93 -1.54 115.95 125.03 2afc h TRP 132 Ca -0.43 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.59 2afc h TRP 132 Cb 1.17 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.82 2afc h TRP 132 CO 0.61 0.05 0.00 0.93 -1.03 0.00 0.00 178.44 179.00 2afc h GLU 133 N 0.00 0.00 -0.86 2.65 3.07 -2.02 0.21 114.58 117.63 2afc h GLU 133 Ca -0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.62 2afc h GLU 133 Cb 0.13 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 27.90 2afc h GLU 133 CO 0.01 0.00 0.30 -0.11 -1.40 0.00 0.00 179.01 177.81 2afc n LEU 134 N -2.86 5.49 0.00 1.33 7.94 -0.58 -4.06 117.00 124.25 2afc n LEU 134 Ca -0.00 -2.87 0.00 0.00 -1.11 0.00 0.00 56.01 52.03 2afc n LEU 134 Cb 0.21 -0.72 0.00 0.00 0.53 0.00 0.00 43.42 43.44 2afc n LEU 134 CO 0.22 0.77 0.00 1.21 -1.11 0.00 0.00 177.39 178.49 2afc n GLU 136 N -0.26 0.00 0.17 1.96 2.13 0.74 -2.41 120.64 122.97 2afc n GLU 136 Ca 0.37 0.00 0.03 0.00 0.66 0.00 0.00 57.16 58.22 2afc n GLU 136 Cb 1.26 0.00 0.31 0.00 0.27 0.00 0.00 31.44 33.28 2afc n GLU 136 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2afc h GLN 137 N 0.00 0.00 0.02 5.31 1.08 -1.80 -2.07 115.11 117.66 2afc h GLN 137 Ca 0.00 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.99 2afc h GLN 137 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2afc h GLN 137 CO 0.00 0.44 -0.94 0.82 -0.95 0.00 0.00 178.83 178.20 2afc h ILE 138 N 0.00 1.53 -0.34 2.54 2.04 -1.83 -2.49 117.51 118.97 2afc h ILE 138 Ca -0.00 -2.81 -0.15 0.00 1.00 0.00 0.00 64.86 62.90 2afc h ILE 138 Cb 0.86 2.59 -0.00 0.00 -0.74 0.00 0.00 36.82 39.53 2afc h ILE 138 CO 0.06 0.82 -0.38 0.40 0.00 0.00 0.00 178.15 179.04 2afc h ILE 139 N 0.08 1.28 -0.49 -0.67 1.08 -1.80 0.54 117.51 117.54 2afc h ILE 139 Ca -0.05 -1.56 -0.10 0.00 -0.39 0.00 0.00 64.86 62.76 2afc h ILE 139 Cb 1.61 1.50 -0.02 0.00 -3.07 0.00 0.00 36.82 36.84 2afc h ILE 139 CO 0.14 0.51 -0.08 0.11 -0.69 0.00 0.00 178.15 178.14 2afc h LYS 140 N 0.64 0.89 -0.01 2.37 1.57 -1.41 0.18 116.57 120.79 2afc h LYS 140 Ca 0.05 -0.30 -0.21 0.00 -1.87 0.00 0.00 60.65 58.32 2afc h LYS 140 Cb 0.97 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 2afc h LYS 140 CO 0.09 0.93 -0.89 1.49 -0.57 0.00 0.00 179.45 180.51 2afc h GLU 141 N 0.80 0.38 0.00 3.15 4.81 -1.35 0.12 114.58 122.49 2afc h GLU 141 Ca 0.14 -0.39 -0.12 0.00 -0.13 0.00 0.00 59.36 58.86 2afc h GLU 141 Cb 0.60 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 2afc h GLU 141 CO 0.04 1.06 -1.68 0.39 -0.73 0.00 0.00 179.01 178.09 2afc n GLU 142 N -3.75 0.64 0.03 1.92 -0.58 0.17 -4.52 120.64 114.55 2afc n GLU 142 Ca -0.06 0.03 -0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2afc n GLU 142 Cb 0.81 -1.67 -0.00 0.00 -0.57 0.00 0.00 31.44 30.00 2afc n GLU 142 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2afc n LEU 143 N -2.63 0.93 -0.24 -4.62 4.77 0.58 -4.61 117.00 111.17 2afc n LEU 143 Ca -0.10 0.12 0.05 0.00 -0.03 0.00 0.00 56.01 56.05 2afc n LEU 143 Cb 0.76 -0.29 0.16 0.00 -2.33 0.00 0.00 43.42 41.71 2afc n LEU 143 CO 0.43 -0.68 0.89 0.40 -1.33 0.00 0.00 177.39 177.10 2afc h ILE 144 N -0.05 0.47 0.00 -0.08 5.03 -1.41 0.13 117.51 121.60 2afc h ILE 144 Ca 0.00 -0.07 -0.00 0.00 -0.12 0.00 0.00 64.86 64.67 2afc h ILE 144 Cb 0.05 0.25 -0.00 0.00 -3.03 0.00 0.00 36.82 34.09 2afc h ILE 144 CO 0.00 0.04 -0.00 0.74 -0.68 0.00 0.00 178.15 178.24 2afc h THR 145 N 0.19 0.96 -0.28 -0.27 2.02 -1.20 0.42 112.91 114.76 2afc h THR 145 Ca 0.40 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.57 2afc h THR 145 Cb 0.68 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 2afc h THR 145 CO -0.55 0.00 0.00 0.29 0.37 0.00 0.00 175.52 175.63 2afc n LYS 146 N -4.48 2.19 -1.29 6.66 4.01 0.38 -4.86 118.16 120.77 2afc n LYS 146 Ca -0.03 -1.24 -0.10 0.00 -0.51 0.00 0.00 58.31 56.43 2afc n LYS 146 Cb 0.09 -1.53 -0.04 0.00 -0.51 0.00 0.00 35.03 33.04 2afc n LYS 146 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2afc n GLU 147 N 0.35 -1.59 -2.51 1.97 1.02 0.15 -4.95 120.64 115.07 2afc n GLU 147 Ca 0.11 0.83 -0.42 0.00 -0.02 0.00 0.00 57.16 57.67 2afc n GLU 147 Cb 0.46 -5.18 -0.03 0.00 -0.02 0.00 0.00 31.44 26.66 2afc n GLU 147 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2afc s ILE 148 N -1.92 4.18 0.23 -3.67 -1.09 -0.68 -4.97 121.20 113.28 2afc s ILE 148 Ca 0.00 1.64 -0.30 0.00 -2.23 0.00 0.00 60.65 59.76 2afc s ILE 148 Cb 0.00 -4.05 -0.09 0.00 -1.58 0.00 0.00 42.46 36.74 2afc s ILE 148 CO 0.00 0.17 1.35 0.00 -1.23 0.00 0.00 174.94 175.23 2afc s ALA 149 N 0.70 3.56 -0.05 9.38 0.00 -1.26 -4.02 121.76 130.07 2afc s ALA 149 Ca 0.55 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.72 2afc s ALA 149 Cb -0.28 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.35 2afc s ALA 149 CO 0.30 -0.61 -0.09 0.08 0.00 0.00 0.00 175.76 175.44 2afc s VAL 150 N -0.03 0.84 -0.19 0.00 1.01 -1.26 -1.02 120.40 119.76 2afc s VAL 150 Ca 0.57 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 2afc s VAL 150 Cb -0.39 -0.78 0.05 0.00 0.00 0.00 0.00 36.38 35.27 2afc s VAL 150 CO 0.41 0.28 0.00 -0.89 0.00 0.00 0.00 175.10 174.90 2afc s THR 151 N 0.59 0.77 -0.17 3.92 2.01 -0.25 -2.10 115.64 120.41 2afc s THR 151 Ca -0.10 -0.63 -0.17 0.00 0.31 0.00 0.00 61.69 61.10 2afc s THR 151 Cb -0.13 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 2afc s THR 151 CO 0.02 -0.10 0.44 -0.69 -0.69 0.00 0.00 174.62 173.59 2afc s VAL 152 N 1.76 5.19 -0.10 3.82 1.01 0.65 -4.38 120.40 128.34 2afc s VAL 152 Ca -0.01 0.82 -0.07 0.00 0.00 0.00 0.00 61.98 62.72 2afc s VAL 152 Cb -0.17 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2afc s VAL 152 CO -0.07 0.27 0.16 -0.31 0.00 0.00 0.00 175.10 175.15 2afc s TYR 153 N 1.10 3.60 -0.16 5.22 1.51 -1.26 -1.28 117.35 126.09 2afc s TYR 153 Ca 0.22 0.54 0.02 0.00 -1.01 0.00 0.00 57.07 56.84 2afc s TYR 153 Cb -0.15 -1.95 0.01 0.00 -0.11 0.00 0.00 41.96 39.76 2afc s TYR 153 CO 0.09 0.72 -0.20 -0.51 -1.11 0.00 0.00 175.55 174.54 2afc s ASP 154 N -1.13 3.22 0.00 2.29 -0.00 0.52 -3.94 116.67 117.63 2afc s ASP 154 Ca 0.17 -0.59 0.00 0.00 -0.00 0.00 0.00 52.55 52.13 2afc s ASP 154 Cb -0.12 -1.48 0.00 0.00 -0.00 0.00 0.00 42.92 41.32 2afc s ASP 154 CO 0.06 0.06 0.00 -0.11 -0.00 0.00 0.00 175.17 175.18