#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fug n PRO 27 N 0.00 1.88 -0.09 -0.72 -0.02 -1.26 -4.12 135.00 130.67 2fug n PRO 27 Ca 0.00 -1.49 -0.09 0.00 -2.02 0.00 0.00 63.50 59.90 2fug n PRO 27 Cb 0.00 -1.47 -0.14 0.00 -0.02 0.00 0.00 33.50 31.87 2fug n PRO 27 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2fug n ASP 28 N 0.74 0.70 -4.35 2.55 8.00 -1.26 -4.84 116.55 118.09 2fug n ASP 28 Ca 0.13 -0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.20 2fug n ASP 28 Cb 0.52 0.90 -0.08 0.00 -0.02 0.00 0.00 41.12 42.44 2fug n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fug s ALA 29 N -2.43 3.47 0.28 2.24 0.00 -1.26 -5.06 121.76 119.00 2fug s ALA 29 Ca -0.09 -2.11 -0.26 0.00 0.00 0.00 0.00 51.96 49.50 2fug s ALA 29 Cb 0.05 -2.93 -0.16 0.00 0.00 0.00 0.00 23.12 20.08 2fug s ALA 29 CO 0.72 -1.69 0.45 -0.35 0.00 0.00 0.00 175.76 174.88 2fug n PRO 30 N 5.11 0.16 -2.71 0.00 -0.04 -1.26 -4.89 135.00 131.37 2fug n PRO 30 Ca -0.12 0.06 -0.40 0.00 -0.04 0.00 0.00 63.50 63.00 2fug n PRO 30 Cb 0.44 -1.11 -0.05 0.00 -0.04 0.00 0.00 33.50 32.73 2fug n PRO 30 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2fug s VAL 31 N -1.22 4.06 -0.55 0.52 1.01 0.85 -4.79 120.40 120.27 2fug s VAL 31 Ca 0.62 2.00 -0.09 0.00 0.00 0.00 0.00 61.98 64.52 2fug s VAL 31 Cb -0.81 -4.27 0.14 0.00 0.00 0.00 0.00 36.38 31.44 2fug s VAL 31 CO 0.58 0.45 0.43 0.00 0.00 0.00 0.00 175.10 176.56 2fug s ALA 32 N -0.98 3.53 0.13 5.51 0.00 -1.26 0.18 121.76 128.88 2fug s ALA 32 Ca 0.43 -2.79 0.02 0.00 0.00 0.00 0.00 51.96 49.62 2fug s ALA 32 Cb -0.26 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2fug s ALA 32 CO 0.33 -2.00 0.24 -0.48 0.00 0.00 0.00 175.76 173.85 2fug s LEU 33 N 0.91 4.25 0.50 0.00 0.05 -0.70 -4.95 118.68 118.73 2fug s LEU 33 Ca 0.10 0.14 -0.20 0.00 0.05 0.00 0.00 54.13 54.21 2fug s LEU 33 Cb -0.23 -2.83 -0.08 0.00 -2.05 0.00 0.00 46.19 41.00 2fug s LEU 33 CO -0.02 0.08 1.07 -0.54 -0.55 0.00 0.00 176.35 176.38 2fug s LYS 34 N -3.07 3.70 0.81 1.48 -0.14 -1.26 -4.29 119.74 116.97 2fug s LYS 34 Ca 0.34 1.44 -0.11 0.00 -1.36 0.00 0.00 55.97 56.28 2fug s LYS 34 Cb -0.11 -2.10 0.09 0.00 -1.68 0.00 0.00 37.83 34.03 2fug s LYS 34 CO 0.27 -0.53 1.13 -1.25 -0.76 0.00 0.00 175.35 174.22 2fug s PRO 35 N -3.20 1.78 0.00 -1.68 0.04 -1.26 -2.29 135.00 128.39 2fug s PRO 35 Ca 0.68 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2fug s PRO 35 Cb -0.19 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2fug s PRO 35 CO 0.22 -2.04 0.00 -2.13 0.04 0.00 0.00 177.00 173.09 2fug n ARG 36 N -3.61 0.00 -2.30 4.56 0.63 -1.26 -5.02 116.66 109.66 2fug n ARG 36 Ca 0.11 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.63 2fug n ARG 36 Cb 0.52 -1.26 -0.03 0.00 0.45 0.00 0.00 32.46 32.14 2fug n ARG 36 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 2fug s PHE 37 N -3.00 3.34 -0.66 -0.14 5.36 -0.97 -4.93 117.98 116.98 2fug s PHE 37 Ca 0.00 1.31 -0.26 0.00 -0.96 0.00 0.00 56.93 57.02 2fug s PHE 37 Cb 0.00 -3.52 -0.01 0.00 -0.34 0.00 0.00 43.02 39.15 2fug s PHE 37 CO 0.00 -1.55 1.78 -1.01 -1.46 0.00 0.00 175.22 172.98 2fug s HIS 38 N 0.11 1.78 0.39 10.12 3.76 -1.26 -4.68 115.29 125.51 2fug s HIS 38 Ca 0.55 0.62 0.02 0.00 -0.15 0.00 0.00 55.06 56.10 2fug s HIS 38 Cb -0.34 -4.17 -0.01 0.00 1.11 0.00 0.00 32.58 29.17 2fug s HIS 38 CO 0.37 -2.22 0.07 0.41 -0.85 0.00 0.00 174.74 172.53 2fug n GLY 39 N 5.78 3.47 3.26 -2.22 0.00 -0.15 -5.00 105.19 110.33 2fug n GLY 39 Ca 0.20 -2.20 -0.56 0.00 0.00 0.00 0.00 46.02 43.45 2fug n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2fug n ARG 40 N -0.93 0.00 -1.67 1.61 0.63 -0.84 -2.78 116.66 112.68 2fug n ARG 40 Ca -0.11 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.42 2fug n ARG 40 Cb 0.55 -1.36 0.03 0.00 0.45 0.00 0.00 32.46 32.12 2fug n ARG 40 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2fug n HIS 41 N 2.17 1.68 -4.02 -0.14 8.25 -1.26 0.77 115.22 122.67 2fug n HIS 41 Ca 0.22 0.49 -0.16 0.00 -0.26 0.00 0.00 57.72 58.00 2fug n HIS 41 Cb 0.03 -2.29 -0.15 0.00 1.12 0.00 0.00 29.99 28.69 2fug n HIS 41 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2fug s VAL 42 N -1.30 0.26 -0.16 1.59 -7.23 -0.12 -4.66 120.40 108.79 2fug s VAL 42 Ca 0.66 -0.05 -0.14 0.00 -1.81 0.00 0.00 61.98 60.64 2fug s VAL 42 Cb -0.48 -0.28 -0.05 0.00 0.56 0.00 0.00 36.38 36.13 2fug s VAL 42 CO 0.54 0.12 0.31 -0.76 -0.31 0.00 0.00 175.10 175.00 2fug s LEU 43 N 0.48 4.24 0.35 1.32 1.43 -0.55 -1.45 118.68 124.51 2fug s LEU 43 Ca -0.05 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.62 2fug s LEU 43 Cb -0.08 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 2fug s LEU 43 CO -0.01 0.08 0.53 0.42 0.23 0.00 0.00 176.35 177.60 2fug s THR 44 N 0.50 4.54 0.20 5.49 -4.23 0.23 -2.08 115.64 120.30 2fug s THR 44 Ca 0.17 -0.72 0.08 0.00 -1.18 0.00 0.00 61.69 60.05 2fug s THR 44 Cb -0.13 -3.63 -0.05 0.00 1.34 0.00 0.00 72.50 70.03 2fug s THR 44 CO 0.04 -0.34 -0.15 -0.13 -0.54 0.00 0.00 174.62 173.51 2fug s ARG 45 N -4.28 1.33 0.59 3.99 0.52 -1.26 -1.67 118.95 118.17 2fug s ARG 45 Ca 0.43 -1.59 -0.05 0.00 -0.52 0.00 0.00 55.73 54.00 2fug s ARG 45 Cb -0.10 -1.14 0.01 0.00 0.52 0.00 0.00 34.95 34.25 2fug s ARG 45 CO 0.34 0.19 0.89 -1.01 0.02 0.00 0.00 175.30 175.73 2fug s HIS 46 N -2.93 3.22 0.47 -0.53 3.76 -0.08 -4.83 115.29 114.37 2fug s HIS 46 Ca 0.22 0.59 0.13 0.00 -0.15 0.00 0.00 55.06 55.85 2fug s HIS 46 Cb -0.01 -2.74 1.10 0.00 1.11 0.00 0.00 32.58 32.04 2fug s HIS 46 CO 0.07 -0.83 2.10 -1.35 -0.85 0.00 0.00 174.74 173.87 2fug h PRO 47 N -0.16 0.23 -0.04 8.40 0.11 -2.00 -0.33 132.00 138.22 2fug h PRO 47 Ca -0.45 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.66 2fug h PRO 47 Cb 1.26 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2fug h PRO 47 CO 0.60 0.15 0.08 -0.91 -0.21 0.00 0.00 178.00 177.72 2fug h ASN 48 N 0.24 0.00 0.00 -2.05 4.21 -2.05 -3.45 115.58 112.49 2fug h ASN 48 Ca 0.09 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.60 2fug h ASN 48 Cb 0.07 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 2fug h ASN 48 CO -0.02 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.73 2fug n GLY 49 N -1.24 0.71 3.85 2.83 0.00 -0.13 -5.09 105.19 106.11 2fug n GLY 49 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2fug n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fug s LEU 50 N 0.00 3.85 0.11 0.99 2.01 -1.25 -4.81 118.68 119.57 2fug s LEU 50 Ca 0.00 1.36 -0.30 0.00 0.01 0.00 0.00 54.13 55.20 2fug s LEU 50 Cb 0.00 -4.24 -0.06 0.00 0.01 0.00 0.00 46.19 41.90 2fug s LEU 50 CO 0.00 -0.40 1.13 -1.61 1.01 0.00 0.00 176.35 176.48 2fug s GLU 51 N -3.60 4.52 0.28 1.70 2.02 -0.72 -0.90 118.70 122.00 2fug s GLU 51 Ca 0.55 1.71 -0.03 0.00 0.02 0.00 0.00 54.97 57.23 2fug s GLU 51 Cb -0.10 -3.32 0.38 0.00 0.10 0.00 0.00 34.13 31.18 2fug s GLU 51 CO 0.25 -0.07 1.87 0.87 0.02 0.00 0.00 175.26 178.20 2fug h LYS 52 N 5.97 0.98 -6.47 1.61 1.57 -1.64 -3.38 116.57 115.22 2fug h LYS 52 Ca -0.43 -0.14 -0.53 0.00 -1.87 0.00 0.00 60.65 57.68 2fug h LYS 52 Cb 1.21 -0.18 0.03 0.00 0.08 0.00 0.00 32.23 33.37 2fug h LYS 52 CO 0.76 0.77 1.03 0.00 -0.57 0.00 0.00 179.45 181.45 2fug n ILE 54 N 4.72 2.90 -4.09 0.00 -5.35 -1.26 -4.25 119.36 112.02 2fug n ILE 54 Ca 0.16 -4.41 -0.31 0.00 -0.27 0.00 0.00 62.75 57.93 2fug n ILE 54 Cb 0.40 -1.23 -0.08 0.00 -1.74 0.00 0.00 39.64 36.99 2fug n ILE 54 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fug n GLY 55 N -0.58 -0.20 3.34 3.28 0.00 -1.26 -4.32 105.19 105.45 2fug n GLY 55 Ca 0.47 0.12 -0.39 0.00 0.00 0.00 0.00 46.02 46.22 2fug n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fug n SER 57 N 4.91 0.85 0.27 0.00 2.88 -1.26 -4.22 113.62 117.05 2fug n SER 57 Ca -0.13 -0.69 -0.11 0.00 -1.33 0.00 0.00 58.87 56.61 2fug n SER 57 Cb 0.46 -0.16 -0.05 0.00 -0.75 0.00 0.00 64.21 63.71 2fug n SER 57 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2fug h LEU 58 N 2.29 -0.62 -0.94 2.46 4.07 -1.95 -1.49 115.31 119.13 2fug h LEU 58 Ca 0.00 0.02 0.15 0.00 0.08 0.00 0.00 57.88 58.13 2fug h LEU 58 Cb 0.23 0.16 -0.16 0.00 1.08 0.00 0.00 40.66 41.98 2fug h LEU 58 CO 0.00 -0.28 -0.34 0.00 -1.08 0.00 0.00 178.44 176.74 2fug h ALA 60 N 1.41 1.35 -0.21 0.00 0.00 -1.86 -1.44 119.26 118.51 2fug h ALA 60 Ca 0.35 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2fug h ALA 60 Cb 0.59 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2fug h ALA 60 CO -0.94 -0.04 0.07 0.00 0.00 0.00 0.00 179.25 178.34 2fug h ALA 61 N 1.56 0.27 0.00 0.00 0.00 0.55 -2.86 119.26 118.78 2fug h ALA 61 Ca 0.48 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2fug h ALA 61 Cb 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2fug h ALA 61 CO -0.35 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 178.79 2fug h ALA 62 N 0.90 1.00 -2.38 0.00 0.00 0.20 -3.44 119.26 115.55 2fug h ALA 62 Ca 0.07 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.42 2fug h ALA 62 Cb 0.21 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.05 2fug h ALA 62 CO -0.00 0.00 1.02 0.00 0.00 0.00 0.00 179.25 180.27 2fug h PRO 64 N 7.83 0.00 -0.01 0.00 0.13 -1.89 -3.28 132.00 134.78 2fug h PRO 64 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2fug h PRO 64 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2fug h PRO 64 CO 0.93 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 178.52 2fug n ALA 65 N -1.92 2.83 -3.28 -0.56 0.00 -1.26 -4.99 120.51 111.32 2fug n ALA 65 Ca 0.04 -0.51 -0.16 0.00 0.00 0.00 0.00 53.44 52.82 2fug n ALA 65 Cb 0.47 -0.43 0.08 0.00 0.00 0.00 0.00 19.45 19.57 2fug n ALA 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2fug n TYR 66 N 0.04 -2.02 0.28 0.00 4.01 -1.24 -4.93 117.16 113.32 2fug n TYR 66 Ca 0.06 0.83 0.09 0.00 -0.16 0.00 0.00 57.90 58.72 2fug n TYR 66 Cb 0.28 -4.65 0.25 0.00 -0.31 0.00 0.00 39.34 34.91 2fug n TYR 66 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2fug n ALA 67 N -3.90 2.42 -2.99 -0.72 0.00 -1.26 -4.89 120.51 109.17 2fug n ALA 67 Ca -0.20 -0.95 -0.23 0.00 0.00 0.00 0.00 53.44 52.05 2fug n ALA 67 Cb 0.63 -0.96 -0.16 0.00 0.00 0.00 0.00 19.45 18.96 2fug n ALA 67 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2fug s ILE 68 N -1.29 1.10 -0.08 0.00 1.01 -1.26 -0.54 121.20 120.14 2fug s ILE 68 Ca 0.37 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.52 2fug s ILE 68 Cb 0.19 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.71 2fug s ILE 68 CO 0.26 0.33 -0.18 -0.47 0.00 0.00 0.00 174.94 174.87 2fug s TYR 69 N 0.14 1.97 -0.03 3.97 6.14 -0.64 -4.85 117.35 124.05 2fug s TYR 69 Ca -0.04 -0.74 0.01 0.00 0.64 0.00 0.00 57.07 56.94 2fug s TYR 69 Cb -0.10 -1.36 0.02 0.00 0.42 0.00 0.00 41.96 40.94 2fug s TYR 69 CO 0.01 -0.32 -0.04 0.08 0.64 0.00 0.00 175.55 175.93 2fug s VAL 70 N 0.41 0.48 -0.11 3.14 1.01 -1.26 -1.83 120.40 122.23 2fug s VAL 70 Ca -0.14 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.74 2fug s VAL 70 Cb -0.16 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.72 2fug s VAL 70 CO 0.06 0.20 -0.20 -1.61 0.00 0.00 0.00 175.10 173.54 2fug s GLU 71 N 0.71 3.16 0.21 2.72 2.02 0.28 -4.95 118.70 122.85 2fug s GLU 71 Ca -0.09 -0.81 0.05 0.00 0.02 0.00 0.00 54.97 54.13 2fug s GLU 71 Cb -0.12 -2.42 -0.03 0.00 0.10 0.00 0.00 34.13 31.65 2fug s GLU 71 CO -0.00 0.17 0.28 -1.25 0.02 0.00 0.00 175.26 174.48 2fug s PRO 72 N 0.39 3.27 0.19 0.39 0.04 -1.26 -0.62 135.00 137.39 2fug s PRO 72 Ca -0.15 -0.79 0.00 0.00 0.04 0.00 0.00 61.00 60.09 2fug s PRO 72 Cb -0.17 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.51 2fug s PRO 72 CO 0.07 0.45 0.07 0.00 0.04 0.00 0.00 177.00 177.64 2fug s ALA 73 N -1.92 1.26 -0.20 8.56 0.00 -0.01 -4.65 121.76 124.80 2fug s ALA 73 Ca 0.34 -1.65 -0.19 0.00 0.00 0.00 0.00 51.96 50.45 2fug s ALA 73 Cb -0.09 0.98 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 2fug s ALA 73 CO 0.27 -0.47 0.53 -2.00 0.00 0.00 0.00 175.76 174.09 2fug s GLU 74 N -4.05 4.20 0.26 0.00 2.12 -1.26 -2.28 118.70 117.69 2fug s GLU 74 Ca 0.31 0.44 -0.31 0.00 0.36 0.00 0.00 54.97 55.78 2fug s GLU 74 Cb 0.07 -3.56 -0.12 0.00 0.26 0.00 0.00 34.13 30.78 2fug s GLU 74 CO 0.08 -0.15 1.58 0.09 -0.54 0.00 0.00 175.26 176.32 2fug n ASN 75 N 4.77 3.59 -4.61 -1.70 3.02 -1.09 -4.90 115.26 114.34 2fug n ASN 75 Ca -0.04 1.12 -0.43 0.00 -0.03 0.00 0.00 54.58 55.20 2fug n ASN 75 Cb 0.50 -1.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.11 2fug n ASN 75 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2fug s ASP 76 N 0.61 6.55 0.18 6.41 -1.08 -1.26 -4.89 116.67 123.18 2fug s ASP 76 Ca 0.68 0.73 0.02 0.00 -0.52 0.00 0.00 52.55 53.46 2fug s ASP 76 Cb -0.54 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 38.82 2fug s ASP 76 CO 0.45 -1.27 0.88 -2.65 0.52 0.00 0.00 175.17 173.09 2fug n PRO 77 N 7.80 -0.04 -3.97 4.34 -0.02 -1.26 -3.38 135.00 138.46 2fug n PRO 77 Ca 0.14 0.84 -0.36 0.00 -2.02 0.00 0.00 63.50 62.10 2fug n PRO 77 Cb 0.48 -1.34 -0.07 0.00 -0.02 0.00 0.00 33.50 32.55 2fug n PRO 77 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2fug s GLU 78 N -5.38 3.53 -0.85 -0.52 2.56 -1.26 -4.51 118.70 112.27 2fug s GLU 78 Ca -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 54.97 54.65 2fug s GLU 78 Cb 0.17 -3.15 -0.02 0.00 2.00 0.00 0.00 34.13 33.12 2fug s GLU 78 CO 0.44 0.63 0.78 -1.71 -0.56 0.00 0.00 175.26 174.84 2fug n ASN 79 N 2.43 -7.40 -4.56 -1.70 5.15 -1.25 -5.00 115.26 102.93 2fug n ASN 79 Ca -0.19 -0.30 -0.29 0.00 -0.60 0.00 0.00 54.58 53.21 2fug n ASN 79 Cb 0.54 -5.28 0.16 0.00 -0.53 0.00 0.00 39.78 34.67 2fug n ASN 79 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2fug s PRO 80 N -3.49 0.65 0.01 1.20 0.04 -1.22 -4.56 135.00 127.62 2fug s PRO 80 Ca 0.16 0.18 -0.05 0.00 0.04 0.00 0.00 61.00 61.33 2fug s PRO 80 Cb -0.02 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 2fug s PRO 80 CO 0.75 -2.51 -0.10 0.28 0.04 0.00 0.00 177.00 175.45 2fug n VAL 81 N -3.96 1.24 -4.08 -0.36 0.31 -1.26 -4.99 118.33 105.22 2fug n VAL 81 Ca 0.08 0.31 -0.25 0.00 -0.01 0.00 0.00 64.34 64.48 2fug n VAL 81 Cb 0.59 -1.79 -0.06 0.00 -0.91 0.00 0.00 33.84 31.67 2fug n VAL 81 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2fug s SER 82 N -5.89 4.49 0.02 4.52 1.04 -1.26 -1.75 113.70 114.87 2fug s SER 82 Ca -0.09 -1.10 -0.23 0.00 0.48 0.00 0.00 55.95 55.01 2fug s SER 82 Cb 0.01 -0.32 -0.13 0.00 0.10 0.00 0.00 66.02 65.69 2fug s SER 82 CO 0.13 -0.64 1.13 0.00 0.98 0.00 0.00 173.24 174.84 2fug h ALA 83 N 1.30 -1.01 -3.00 5.32 0.00 -1.87 -3.46 119.26 116.54 2fug h ALA 83 Ca -0.42 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2fug h ALA 83 Cb 1.26 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2fug h ALA 83 CO 0.67 -0.95 0.00 0.41 0.00 0.00 0.00 179.25 179.38 2fug n GLY 84 N -0.82 -3.21 0.74 0.00 0.00 -1.26 -4.85 105.19 95.79 2fug n GLY 84 Ca -0.10 -1.07 0.07 0.00 0.00 0.00 0.00 46.02 44.91 2fug n GLY 84 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2fug n GLU 85 N -1.10 1.93 -4.02 1.61 0.28 -1.26 -4.81 120.64 113.27 2fug n GLU 85 Ca 0.00 -1.44 -0.14 0.00 -0.16 0.00 0.00 57.16 55.42 2fug n GLU 85 Cb 0.00 -1.32 -0.14 0.00 1.43 0.00 0.00 31.44 31.41 2fug n GLU 85 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2fug s ARG 86 N -1.47 0.24 0.12 3.44 3.52 -1.26 -2.66 118.95 120.87 2fug s ARG 86 Ca 0.27 -0.17 -0.04 0.00 -0.13 0.00 0.00 55.73 55.66 2fug s ARG 86 Cb 0.14 -0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.31 2fug s ARG 86 CO 0.19 0.05 0.10 1.52 -0.81 0.00 0.00 175.30 176.35 2fug s TYR 87 N -0.25 0.61 -0.52 5.12 -0.85 -0.96 -4.18 117.35 116.32 2fug s TYR 87 Ca -0.01 -1.03 -0.26 0.00 -0.52 0.00 0.00 57.07 55.26 2fug s TYR 87 Cb -0.02 -0.32 0.03 0.00 0.38 0.00 0.00 41.96 42.03 2fug s TYR 87 CO -0.00 -0.53 1.00 0.00 -1.52 0.00 0.00 175.55 174.50 2fug s ALA 88 N -3.98 3.15 0.04 9.51 0.00 -1.26 -0.83 121.76 128.39 2fug s ALA 88 Ca 0.17 -0.93 -0.19 0.00 0.00 0.00 0.00 51.96 51.01 2fug s ALA 88 Cb 0.06 -3.78 -0.16 0.00 0.00 0.00 0.00 23.12 19.25 2fug s ALA 88 CO -0.03 -2.32 1.28 -0.22 0.00 0.00 0.00 175.76 174.48 2fug h LYS 89 N 9.27 0.46 -4.27 0.00 3.64 -1.13 -3.43 116.57 121.11 2fug h LYS 89 Ca -0.25 -0.31 -0.51 0.00 -1.27 0.00 0.00 60.65 58.31 2fug h LYS 89 Cb 1.07 0.04 -0.36 0.00 -0.41 0.00 0.00 32.23 32.58 2fug h LYS 89 CO 1.09 0.92 -0.80 0.08 -2.27 0.00 0.00 179.45 178.47 2fug s VAL 90 N -3.95 0.97 -0.25 2.00 1.01 -0.48 -4.99 120.40 114.71 2fug s VAL 90 Ca -0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 2fug s VAL 90 Cb 0.05 -0.97 0.08 0.00 0.00 0.00 0.00 36.38 35.55 2fug s VAL 90 CO 0.79 0.34 0.06 -0.47 0.00 0.00 0.00 175.10 175.83 2fug s TYR 91 N 1.35 1.38 0.06 5.22 5.04 -1.26 -0.56 117.35 128.58 2fug s TYR 91 Ca -0.02 -1.30 0.07 0.00 -2.44 0.00 0.00 57.07 53.38 2fug s TYR 91 Cb -0.14 -1.35 -0.03 0.00 0.35 0.00 0.00 41.96 40.79 2fug s TYR 91 CO -0.04 -0.75 -0.19 -1.21 -1.34 0.00 0.00 175.55 172.02 2fug s GLU 92 N 1.74 1.18 -0.07 4.97 2.02 -0.76 -2.39 118.70 125.38 2fug s GLU 92 Ca 0.04 -0.98 0.02 0.00 0.02 0.00 0.00 54.97 54.07 2fug s GLU 92 Cb -0.17 -1.31 0.02 0.00 0.10 0.00 0.00 34.13 32.76 2fug s GLU 92 CO -0.17 0.32 -0.09 0.42 0.02 0.00 0.00 175.26 175.76 2fug s ILE 93 N -0.96 0.96 -1.30 -1.63 1.01 -0.65 -1.61 121.20 117.02 2fug s ILE 93 Ca 0.05 -0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 2fug s ILE 93 Cb -0.09 -0.91 0.12 0.00 0.01 0.00 0.00 42.46 41.59 2fug s ILE 93 CO 0.02 0.32 1.78 -3.20 0.00 0.00 0.00 174.94 173.86 2fug n ASN 94 N 4.03 4.87 0.17 3.58 5.15 0.30 -1.08 115.26 132.29 2fug n ASN 94 Ca -0.22 -2.98 0.01 0.00 -0.60 0.00 0.00 54.58 50.80 2fug n ASN 94 Cb 0.51 -1.60 0.02 0.00 -0.53 0.00 0.00 39.78 38.18 2fug n ASN 94 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2fug n MET 95 N 5.85 0.02 0.04 1.20 2.81 -0.52 0.88 117.12 127.39 2fug n MET 95 Ca 0.43 0.57 -0.22 0.00 -1.81 0.00 0.00 57.70 56.68 2fug n MET 95 Cb 0.41 -1.54 -0.14 0.00 -0.71 0.00 0.00 33.22 31.23 2fug n MET 95 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2fug h LEU 96 N 0.00 0.47 -0.90 4.03 3.38 -1.89 -3.32 115.31 117.07 2fug h LEU 96 Ca 0.02 -0.89 -0.12 0.00 0.09 0.00 0.00 57.88 56.98 2fug h LEU 96 Cb 1.24 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2fug h LEU 96 CO -0.00 1.60 -0.52 -0.09 0.09 0.00 0.00 178.44 179.52 2fug h ARG 97 N -0.23 0.07 -6.75 1.13 9.65 0.11 -3.45 114.38 114.92 2fug h ARG 97 Ca -0.27 -0.04 -0.57 0.00 -1.10 0.00 0.00 59.98 58.00 2fug h ARG 97 Cb 1.81 0.00 0.13 0.00 -1.39 0.00 0.00 29.97 30.53 2fug h ARG 97 CO 0.11 0.58 0.28 0.00 2.80 0.00 0.00 179.97 183.74 2fug n ILE 99 N -0.60 0.32 -3.60 0.00 0.13 -1.26 -4.99 119.36 109.35 2fug n ILE 99 Ca 0.09 -0.66 -0.27 0.00 -1.10 0.00 0.00 62.75 60.81 2fug n ILE 99 Cb 0.41 0.91 0.04 0.00 -0.84 0.00 0.00 39.64 40.15 2fug n ILE 99 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 2fug n PHE 100 N 0.15 -2.05 -3.92 9.51 3.01 -1.26 -4.98 117.46 117.93 2fug n PHE 100 Ca 0.03 0.56 -0.30 0.00 1.01 0.00 0.00 57.45 58.75 2fug n PHE 100 Cb 0.18 -3.50 -0.14 0.00 -0.01 0.00 0.00 39.48 36.01 2fug n PHE 100 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2fug n GLY 102 N 3.56 0.00 0.00 0.00 0.00 -1.26 -3.97 105.19 103.51 2fug n GLY 102 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2fug n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fug n LEU 103 N -1.65 0.00 0.45 0.99 4.77 -1.26 0.39 117.00 120.70 2fug n LEU 103 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 2fug n LEU 103 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 2fug n LEU 103 CO 0.00 0.00 0.52 0.00 -1.33 0.00 0.00 177.39 176.58 2fug h GLU 105 N -1.25 0.31 0.28 0.00 4.81 -0.26 -0.64 114.58 117.83 2fug h GLU 105 Ca -0.12 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2fug h GLU 105 Cb 0.89 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2fug h GLU 105 CO 0.19 0.20 -0.13 1.49 -0.73 0.00 0.00 179.01 180.03 2fug h GLU 106 N 0.31 -0.36 -0.92 1.92 4.81 -0.69 -3.15 114.58 116.51 2fug h GLU 106 Ca 0.70 0.02 0.27 0.00 -0.13 0.00 0.00 59.36 60.22 2fug h GLU 106 Cb 1.54 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.97 2fug h GLU 106 CO -0.61 -0.24 0.74 0.00 -0.73 0.00 0.00 179.01 178.17 2fug h ALA 107 N -1.82 2.81 -2.02 2.92 0.00 0.12 -3.43 119.26 117.85 2fug h ALA 107 Ca -0.04 -0.03 -0.62 0.00 0.00 0.00 0.00 54.91 54.22 2fug h ALA 107 Cb 0.28 0.07 0.06 0.00 0.00 0.00 0.00 17.79 18.20 2fug h ALA 107 CO 0.06 -1.22 0.61 0.00 0.00 0.00 0.00 179.25 178.70 2fug n PRO 109 N 2.78 1.87 -0.00 0.00 -0.02 -1.26 -4.25 135.00 134.11 2fug n PRO 109 Ca 0.17 -1.27 0.00 0.00 -2.02 0.00 0.00 63.50 60.37 2fug n PRO 109 Cb 0.25 -1.46 -0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2fug n PRO 109 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2fug n THR 110 N 0.53 0.00 -0.80 3.45 -2.24 -1.26 -5.02 114.28 108.94 2fug n THR 110 Ca 0.17 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2fug n THR 110 Cb 0.42 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 2fug n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fug n GLY 111 N 2.51 0.54 0.05 3.38 0.00 -1.26 -4.94 105.19 105.48 2fug n GLY 111 Ca -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 2fug n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fug h ALA 112 N 0.00 -0.67 -2.15 4.61 0.00 -1.87 -3.43 119.26 115.75 2fug h ALA 112 Ca 0.00 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 54.31 2fug h ALA 112 Cb 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2fug h ALA 112 CO 0.00 -0.66 0.81 -1.50 0.00 0.00 0.00 179.25 177.91 2fug s ILE 113 N -2.56 4.47 0.28 0.00 1.10 -1.26 -0.60 121.20 122.63 2fug s ILE 113 Ca -0.02 1.78 0.02 0.00 -0.51 0.00 0.00 60.65 61.92 2fug s ILE 113 Cb 0.00 -4.15 -0.06 0.00 0.15 0.00 0.00 42.46 38.41 2fug s ILE 113 CO 0.05 -0.13 0.08 -0.69 -2.11 0.00 0.00 174.94 172.15 2fug s VAL 114 N 3.12 0.81 -0.40 4.00 1.01 -0.53 -4.36 120.40 124.05 2fug s VAL 114 Ca 0.50 -2.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.34 2fug s VAL 114 Cb -0.19 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.51 2fug s VAL 114 CO 0.12 -0.01 0.28 -0.76 0.00 0.00 0.00 175.10 174.74 2fug s LEU 115 N -3.38 4.98 0.00 3.92 1.43 -1.26 -0.94 118.68 123.43 2fug s LEU 115 Ca 0.37 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2fug s LEU 115 Cb 0.08 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 44.16 2fug s LEU 115 CO 0.14 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 176.92 2fug n GLY 116 N 5.13 -3.47 0.04 -3.19 0.00 0.23 -4.36 105.19 99.58 2fug n GLY 116 Ca -0.11 -1.27 -0.01 0.00 0.00 0.00 0.00 46.02 44.63 2fug n GLY 116 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2fug n TYR 117 N -2.73 0.00 -1.14 1.61 4.01 -1.26 -0.98 117.16 116.67 2fug n TYR 117 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.38 2fug n TYR 117 Cb 0.00 -0.47 0.06 0.00 -0.31 0.00 0.00 39.34 38.62 2fug n TYR 117 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2fug n ASP 118 N -2.25 -2.81 0.00 7.72 9.92 -1.26 -4.62 116.55 123.24 2fug n ASP 118 Ca -0.13 0.48 0.00 0.00 -0.53 0.00 0.00 54.79 54.61 2fug n ASP 118 Cb 0.68 -1.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 2fug n ASP 118 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 2fug n PHE 119 N -2.41 0.00 -2.43 1.24 1.16 -1.26 -1.98 117.46 111.78 2fug n PHE 119 Ca 0.07 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.26 2fug n PHE 119 Cb 0.51 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.36 2fug n PHE 119 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 2fug s GLU 120 N 0.00 3.50 0.00 3.97 2.02 -1.26 -4.54 118.70 122.38 2fug s GLU 120 Ca 0.00 -1.58 0.02 0.00 0.02 0.00 0.00 54.97 53.43 2fug s GLU 120 Cb 0.00 -5.42 0.03 0.00 0.10 0.00 0.00 34.13 28.84 2fug s GLU 120 CO 0.00 -2.73 0.98 0.00 0.02 0.00 0.00 175.26 173.54 2fug n MET 121 N 8.47 0.00 -1.75 1.61 0.00 -1.26 -4.69 117.12 119.49 2fug n MET 121 Ca 0.45 -1.02 -0.37 0.00 0.00 0.00 0.00 57.70 56.76 2fug n MET 121 Cb 0.47 -0.43 0.06 0.00 0.00 0.00 0.00 33.22 33.32 2fug n MET 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2fug s ALA 122 N 0.00 2.52 0.15 3.17 0.00 -1.26 -4.83 121.76 121.51 2fug s ALA 122 Ca 0.02 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.26 2fug s ALA 122 Cb 0.03 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 2fug s ALA 122 CO -0.01 -1.53 0.17 -3.47 0.00 0.00 0.00 175.76 170.92 2fug n ASP 123 N -1.62 -0.46 -0.07 0.00 -0.08 -1.26 -4.86 116.55 108.21 2fug n ASP 123 Ca 0.14 -1.87 -0.06 0.00 -1.51 0.00 0.00 54.79 51.49 2fug n ASP 123 Cb 0.47 0.92 -0.02 0.00 2.34 0.00 0.00 41.12 44.83 2fug n ASP 123 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2fug n TYR 124 N -0.26 0.18 -3.15 -0.67 4.01 -1.26 -4.97 117.16 111.04 2fug n TYR 124 Ca 0.02 0.08 -0.39 0.00 -0.16 0.00 0.00 57.90 57.44 2fug n TYR 124 Cb 0.25 -0.45 -0.05 0.00 -0.31 0.00 0.00 39.34 38.78 2fug n TYR 124 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2fug s GLU 125 N -2.35 4.37 0.00 -0.72 2.02 -1.26 -5.00 118.70 115.76 2fug s GLU 125 Ca -0.20 0.76 0.00 0.00 0.02 0.00 0.00 54.97 55.55 2fug s GLU 125 Cb 0.03 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.86 2fug s GLU 125 CO 0.29 0.22 0.64 0.98 0.02 0.00 0.00 175.26 177.42 2fug n TYR 126 N 3.25 0.00 0.00 1.61 4.19 -1.26 -1.05 117.16 123.90 2fug n TYR 126 Ca -0.05 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.16 2fug n TYR 126 Cb 0.51 -0.14 0.00 0.00 0.49 0.00 0.00 39.34 40.20 2fug n TYR 126 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 2fug n SER 127 N -1.54 0.00 -1.15 2.98 3.41 -1.26 -0.12 113.62 115.94 2fug n SER 127 Ca 0.00 0.03 0.09 0.00 -0.26 0.00 0.00 58.87 58.73 2fug n SER 127 Cb 0.00 -0.03 0.27 0.00 -0.26 0.00 0.00 64.21 64.19 2fug n SER 127 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2fug n ASP 128 N -0.76 3.88 -0.81 4.04 8.00 -0.22 -4.25 116.55 126.44 2fug n ASP 128 Ca 0.00 -2.25 0.07 0.00 0.71 0.00 0.00 54.79 53.32 2fug n ASP 128 Cb 0.09 -0.44 0.20 0.00 -0.02 0.00 0.00 41.12 40.95 2fug n ASP 128 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2fug n LEU 129 N 0.88 3.38 -4.29 0.64 4.77 0.83 -4.81 117.00 118.40 2fug n LEU 129 Ca 0.20 -2.32 -0.45 0.00 -0.03 0.00 0.00 56.01 53.41 2fug n LEU 129 Cb 0.67 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 41.37 2fug n LEU 129 CO 0.16 0.73 0.30 0.54 -1.33 0.00 0.00 177.39 177.79 2fug s VAL 130 N -1.58 5.23 0.52 4.08 0.11 -1.26 -1.44 120.40 126.06 2fug s VAL 130 Ca 0.32 -2.29 -0.22 0.00 -2.93 0.00 0.00 61.98 56.86 2fug s VAL 130 Cb 0.20 -4.28 -0.06 0.00 -1.53 0.00 0.00 36.38 30.72 2fug s VAL 130 CO 0.15 -0.96 1.35 -0.31 -3.33 0.00 0.00 175.10 172.00 2fug s TYR 131 N 0.50 2.36 0.14 1.54 1.51 -0.24 -4.74 117.35 118.43 2fug s TYR 131 Ca 0.14 1.37 0.01 0.00 -1.01 0.00 0.00 57.07 57.59 2fug s TYR 131 Cb -0.16 -3.78 0.01 0.00 -0.11 0.00 0.00 41.96 37.92 2fug s TYR 131 CO -0.05 -2.78 0.12 0.41 -1.11 0.00 0.00 175.55 172.14 2fug n GLY 132 N 0.68 2.76 0.12 0.71 0.00 -1.26 -1.64 105.19 106.56 2fug n GLY 132 Ca 0.09 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 2fug n GLY 132 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2fug h LYS 133 N 0.00 -0.19 -0.23 1.61 3.64 -1.87 -2.39 116.57 117.13 2fug h LYS 133 Ca -0.08 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.38 2fug h LYS 133 Cb 0.32 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2fug h LYS 133 CO 0.13 0.04 0.21 1.05 -2.27 0.00 0.00 179.45 178.61 2fug h GLU 134 N -0.40 0.00 -0.00 1.90 9.09 -1.96 0.12 114.58 123.32 2fug h GLU 134 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.39 2fug h GLU 134 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.42 2fug h GLU 134 CO 0.03 0.00 -0.09 -0.25 0.05 0.00 0.00 179.01 178.75 2fug n ASP 135 N -4.00 0.42 0.00 3.06 8.00 -0.92 -4.37 116.55 118.74 2fug n ASP 135 Ca 0.03 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.96 2fug n ASP 135 Cb 0.35 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 2fug n ASP 135 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2fug n MET 136 N -0.97 3.86 -0.62 -1.24 2.81 0.38 -4.83 117.12 116.51 2fug n MET 136 Ca 0.15 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.73 2fug n MET 136 Cb 0.27 -0.30 0.19 0.00 -0.71 0.00 0.00 33.22 32.67 2fug n MET 136 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2fug n LEU 137 N -0.57 -1.76 0.15 4.03 4.32 -0.95 -1.48 117.00 120.74 2fug n LEU 137 Ca 0.00 -0.09 0.12 0.00 -0.02 0.00 0.00 56.01 56.03 2fug n LEU 137 Cb 0.00 -1.08 0.28 0.00 -1.62 0.00 0.00 43.42 41.00 2fug n LEU 137 CO 0.00 -3.18 0.79 -0.37 -1.22 0.00 0.00 177.39 173.41 2fug h VAL 138 N -2.22 0.00 0.00 4.08 -1.51 -1.78 -3.06 116.25 111.76 2fug h VAL 138 Ca -0.55 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 64.21 2fug h VAL 138 Cb 1.34 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 32.17 2fug h VAL 138 CO 0.41 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.22 2fug n ASP 139 N -2.61 0.63 -4.27 4.19 8.00 -1.26 -4.53 116.55 116.70 2fug n ASP 139 Ca 0.05 0.64 -0.30 0.00 0.71 0.00 0.00 54.79 55.89 2fug n ASP 139 Cb 0.48 -0.78 0.18 0.00 -0.02 0.00 0.00 41.12 40.98 2fug n ASP 139 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2fug s VAL 140 N -3.27 1.89 0.00 2.53 0.11 -1.16 -5.06 120.40 115.44 2fug s VAL 140 Ca 0.05 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 2fug s VAL 140 Cb 0.10 -2.78 0.00 0.00 -1.53 0.00 0.00 36.38 32.16 2fug s VAL 140 CO 0.41 0.00 0.00 0.55 -3.33 0.00 0.00 175.10 172.73 2fug n VAL 141 N -4.02 0.00 -0.52 2.04 3.14 -1.26 -4.84 118.33 112.87 2fug n VAL 141 Ca 0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 2fug n VAL 141 Cb 0.59 -0.44 0.00 0.00 -1.06 0.00 0.00 33.84 32.93 2fug n VAL 141 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2fug n GLY 142 N 2.56 0.12 3.79 7.55 0.00 -1.26 -5.03 105.19 112.93 2fug n GLY 142 Ca 0.00 -1.73 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 2fug n GLY 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fug s THR 143 N 0.58 3.39 0.22 2.61 -4.23 -1.26 -4.85 115.64 112.10 2fug s THR 143 Ca 0.00 -1.53 -0.20 0.00 -1.18 0.00 0.00 61.69 58.78 2fug s THR 143 Cb 0.00 -3.10 0.18 0.00 1.34 0.00 0.00 72.50 70.92 2fug s THR 143 CO 0.00 -0.20 1.55 0.50 -0.54 0.00 0.00 174.62 175.93 2fug h LYS 144 N 1.42 -0.02 -0.15 3.99 3.64 -1.93 0.43 116.57 123.95 2fug h LYS 144 Ca -0.45 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.81 2fug h LYS 144 Cb 1.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 2fug h LYS 144 CO 0.61 -0.01 -0.43 -1.00 -2.27 0.00 0.00 179.45 176.34 2fug h PRO 145 N -0.02 0.36 -0.14 1.90 0.13 -1.89 -2.39 132.00 129.96 2fug h PRO 145 Ca 0.31 -0.18 -0.05 0.00 -0.87 0.00 0.00 66.00 65.20 2fug h PRO 145 Cb 0.57 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 2fug h PRO 145 CO -0.96 0.73 -0.12 1.96 -0.23 0.00 0.00 178.00 179.38 2fug h GLN 146 N 0.29 0.32 -0.12 0.86 4.20 -1.32 -2.95 115.11 116.40 2fug h GLN 146 Ca 0.02 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.48 2fug h GLN 146 Cb 0.88 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 2fug h GLN 146 CO 0.07 0.70 -0.34 0.00 -0.67 0.00 0.00 178.83 178.59 2fug h ARG 147 N -0.05 0.25 0.43 1.46 3.08 -1.06 -2.64 114.38 115.84 2fug h ARG 147 Ca 0.02 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2fug h ARG 147 Cb 0.64 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2fug h ARG 147 CO 0.03 0.57 -0.30 -0.09 -1.07 0.00 0.00 179.97 179.11 2fug h ARG 148 N 0.22 -0.66 -0.73 0.04 2.43 -1.32 -1.31 114.38 113.05 2fug h ARG 148 Ca 0.03 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2fug h ARG 148 Cb 0.71 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.37 2fug h ARG 148 CO 0.05 -0.44 0.47 0.93 -1.51 0.00 0.00 179.97 179.47 2fug h GLU 149 N -0.69 0.91 0.00 0.20 5.08 -1.60 -0.20 114.58 118.28 2fug h GLU 149 Ca -0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2fug h GLU 149 Cb 0.56 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2fug h GLU 149 CO 0.03 0.60 0.00 0.00 -1.00 0.00 0.00 179.01 178.65 2fug n ALA 150 N -2.31 1.62 -0.07 3.43 0.00 -0.99 -1.45 120.51 120.74 2fug n ALA 150 Ca 0.07 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.38 2fug n ALA 150 Cb 0.05 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.33 2fug n ALA 150 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2fug h LYS 151 N 0.00 0.00 0.03 0.00 1.63 0.18 -3.17 116.57 115.24 2fug h LYS 151 Ca 0.00 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.57 2fug h LYS 151 Cb 0.01 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2fug h LYS 151 CO 0.00 0.72 -0.98 0.07 -3.45 0.00 0.00 179.45 175.81 2fug h ARG 152 N -1.00 0.33 -0.88 1.90 0.11 -1.58 -3.23 114.38 110.03 2fug h ARG 152 Ca -0.01 -0.39 0.14 0.00 0.10 0.00 0.00 59.98 59.81 2fug h ARG 152 Cb 0.74 0.12 -0.07 0.00 1.11 0.00 0.00 29.97 31.87 2fug h ARG 152 CO -0.01 1.09 0.57 1.15 0.10 0.00 0.00 179.97 182.87 2fug h THR 153 N 0.17 0.85 -0.29 0.08 2.02 -1.39 -3.45 112.91 110.90 2fug h THR 153 Ca -0.08 -0.24 -0.13 0.00 0.77 0.00 0.00 66.41 66.73 2fug h THR 153 Cb 1.64 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 68.08 2fug h THR 153 CO 0.16 0.13 -0.11 0.61 0.37 0.00 0.00 175.52 176.68 2fug n GLY 154 N -1.43 0.80 3.03 2.16 0.00 -1.20 -4.98 105.19 103.58 2fug n GLY 154 Ca 0.17 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 2fug n GLY 154 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fug s LYS 155 N -2.11 2.12 1.02 1.61 2.47 -1.26 -5.11 119.74 118.47 2fug s LYS 155 Ca 0.00 -0.52 -0.26 0.00 -1.56 0.00 0.00 55.97 53.63 2fug s LYS 155 Cb 0.00 -1.84 -0.16 0.00 -1.46 0.00 0.00 37.83 34.37 2fug s LYS 155 CO 0.00 -0.10 -1.32 -2.30 0.16 0.00 0.00 175.35 171.79 2fug n PRO 156 N 4.31 -0.21 -3.40 4.03 -0.02 -1.26 -4.77 135.00 133.69 2fug n PRO 156 Ca -0.18 -0.06 -0.41 0.00 -2.02 0.00 0.00 63.50 60.83 2fug n PRO 156 Cb 0.51 -1.09 -0.09 0.00 -0.02 0.00 0.00 33.50 32.80 2fug n PRO 156 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2fug s VAL 157 N -2.03 5.17 -0.52 -1.45 -7.23 -1.26 -5.01 120.40 108.07 2fug s VAL 157 Ca 0.39 -0.07 -0.17 0.00 -1.81 0.00 0.00 61.98 60.32 2fug s VAL 157 Cb 0.06 -3.86 0.08 0.00 0.56 0.00 0.00 36.38 33.23 2fug s VAL 157 CO 0.67 -0.15 0.55 -0.54 -0.31 0.00 0.00 175.10 175.31 2fug s LYS 158 N 2.00 3.04 0.06 4.82 1.02 -1.26 -4.99 119.74 124.42 2fug s LYS 158 Ca 0.11 -1.27 -0.31 0.00 0.02 0.00 0.00 55.97 54.53 2fug s LYS 158 Cb -0.17 -4.18 -0.06 0.00 -0.52 0.00 0.00 37.83 32.90 2fug s LYS 158 CO 0.12 -1.25 1.28 0.14 -0.92 0.00 0.00 175.35 174.72 2fug s VAL 159 N 2.15 3.82 -0.25 3.17 -7.23 -1.26 -4.94 120.40 115.86 2fug s VAL 159 Ca 0.09 1.28 0.00 0.00 -1.81 0.00 0.00 61.98 61.54 2fug s VAL 159 Cb -0.24 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 32.88 2fug s VAL 159 CO 0.08 0.08 0.49 0.61 -0.31 0.00 0.00 175.10 176.04 2fug n GLY 160 N 3.36 1.05 3.37 2.32 0.00 -1.26 -4.82 105.19 109.21 2fug n GLY 160 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 2fug n GLY 160 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2fug s TYR 161 N 0.07 1.02 -0.09 1.61 -0.85 -1.26 -0.10 117.35 117.76 2fug s TYR 161 Ca 0.00 -1.23 -0.27 0.00 -0.52 0.00 0.00 57.07 55.04 2fug s TYR 161 Cb 0.00 -0.29 0.06 0.00 0.38 0.00 0.00 41.96 42.12 2fug s TYR 161 CO 0.00 -0.87 0.63 0.14 -1.52 0.00 0.00 175.55 173.93 2fug s VAL 162 N -3.78 0.01 0.20 -3.49 -7.23 0.46 -4.66 120.40 101.90 2fug s VAL 162 Ca 0.33 -0.06 0.05 0.00 -1.81 0.00 0.00 61.98 60.49 2fug s VAL 162 Cb 0.03 -0.93 -0.05 0.00 0.56 0.00 0.00 36.38 35.99 2fug s VAL 162 CO 0.15 -0.03 -0.09 0.68 -0.31 0.00 0.00 175.10 175.50 2fug s VAL 163 N -0.89 1.36 0.35 1.32 -7.23 -1.13 -1.72 120.40 112.47 2fug s VAL 163 Ca -0.09 -2.11 0.22 0.00 -1.81 0.00 0.00 61.98 58.19 2fug s VAL 163 Cb -0.02 -2.07 0.22 0.00 0.56 0.00 0.00 36.38 35.07 2fug s VAL 163 CO 0.07 -0.57 1.95 1.55 -0.31 0.00 0.00 175.10 177.80 2fug h PRO 164 N 2.60 0.00 -1.05 4.82 0.13 -1.80 -2.53 132.00 134.16 2fug h PRO 164 Ca -0.38 0.00 0.36 0.00 -0.87 0.00 0.00 66.00 65.12 2fug h PRO 164 Cb 1.21 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 2fug h PRO 164 CO 0.64 0.21 0.98 1.52 -0.23 0.00 0.00 178.00 181.12 2fug s TYR 165 N -4.10 -0.01 0.09 1.56 -0.85 -1.26 -4.56 117.35 108.21 2fug s TYR 165 Ca -0.02 0.00 -0.27 0.00 -0.52 0.00 0.00 57.07 56.26 2fug s TYR 165 Cb 0.13 0.50 -0.06 0.00 0.38 0.00 0.00 41.96 42.91 2fug s TYR 165 CO 0.64 -0.03 0.86 0.14 -1.52 0.00 0.00 175.55 175.64 2fug s VAL 166 N -2.05 4.58 0.81 -3.49 -7.23 -1.26 -4.69 120.40 107.07 2fug s VAL 166 Ca 0.13 1.84 -0.14 0.00 -1.81 0.00 0.00 61.98 62.01 2fug s VAL 166 Cb 0.04 -4.21 0.03 0.00 0.56 0.00 0.00 36.38 32.80 2fug s VAL 166 CO -0.05 0.36 0.84 0.54 -0.31 0.00 0.00 175.10 176.48 2fug n ARG 167 N 2.66 0.14 0.06 4.82 1.74 -1.26 -4.89 116.66 119.93 2fug n ARG 167 Ca -0.01 0.11 -0.13 0.00 -0.77 0.00 0.00 57.85 57.05 2fug n ARG 167 Cb 0.50 -2.14 -0.08 0.00 -1.02 0.00 0.00 32.46 29.72 2fug n ARG 167 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2fug h PRO 168 N -0.85 -0.08 -0.75 5.56 0.11 -2.01 -3.07 132.00 130.91 2fug h PRO 168 Ca -0.45 0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.82 2fug h PRO 168 Cb 1.31 0.02 -0.11 0.00 0.11 0.00 0.00 31.00 32.33 2fug h PRO 168 CO 0.43 0.03 0.18 0.93 -0.21 0.00 0.00 178.00 179.36 2fug h GLU 169 N -0.17 0.26 -0.79 1.05 3.07 -2.00 -0.20 114.58 115.80 2fug h GLU 169 Ca -0.01 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2fug h GLU 169 Cb 0.15 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 2fug h GLU 169 CO 0.01 0.17 0.00 1.28 -1.40 0.00 0.00 179.01 179.08 2fug n LEU 170 N -5.16 0.79 -4.68 1.33 4.77 -1.16 -4.91 117.00 107.98 2fug n LEU 170 Ca 0.15 -0.39 -0.58 0.00 -0.03 0.00 0.00 56.01 55.15 2fug n LEU 170 Cb 0.47 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 2fug n LEU 170 CO 0.12 0.20 1.16 1.21 -1.33 0.00 0.00 177.39 178.75 2fug n GLU 171 N 0.00 0.87 0.00 3.23 4.07 -0.09 -1.10 120.64 127.63 2fug n GLU 171 Ca 0.00 0.32 0.00 0.00 -0.06 0.00 0.00 57.16 57.42 2fug n GLU 171 Cb 0.20 -1.95 0.00 0.00 -0.06 0.00 0.00 31.44 29.63 2fug n GLU 171 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2fug n GLY 172 N 3.64 2.56 3.67 8.31 0.00 -1.26 -4.82 105.19 117.28 2fug n GLY 172 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 2fug n GLY 172 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2fug s PHE 173 N -2.29 2.59 0.20 1.61 5.36 -0.26 -4.88 117.98 120.32 2fug s PHE 173 Ca 0.00 0.73 -0.29 0.00 -0.96 0.00 0.00 56.93 56.42 2fug s PHE 173 Cb 0.00 -3.65 -0.08 0.00 -0.34 0.00 0.00 43.02 38.94 2fug s PHE 173 CO 0.00 -2.47 0.89 0.15 -1.46 0.00 0.00 175.22 172.33 2fug s LYS 174 N 3.42 4.75 0.02 10.12 3.01 -1.26 -5.00 119.74 134.81 2fug s LYS 174 Ca 0.62 1.38 -0.29 0.00 -1.01 0.00 0.00 55.97 56.67 2fug s LYS 174 Cb -0.27 -3.29 0.11 0.00 -1.01 0.00 0.00 37.83 33.37 2fug s LYS 174 CO 0.21 0.50 1.20 0.00 0.51 0.00 0.00 175.35 177.77 2fug s ALA 175 N -1.03 -2.08 -1.16 5.17 0.00 -1.26 -5.03 121.76 116.37 2fug s ALA 175 Ca 0.40 0.57 -0.22 0.00 0.00 0.00 0.00 51.96 52.71 2fug s ALA 175 Cb -0.25 0.42 -0.07 0.00 0.00 0.00 0.00 23.12 23.22 2fug s ALA 175 CO 0.30 -1.04 1.91 -0.35 0.00 0.00 0.00 175.76 176.58 2fug n PRO 176 N -0.47 1.83 0.14 0.00 -0.04 -1.26 -4.73 135.00 130.47 2fug n PRO 176 Ca -0.08 -2.51 0.13 0.00 -0.04 0.00 0.00 63.50 61.00 2fug n PRO 176 Cb 0.62 -3.60 0.50 0.00 -0.04 0.00 0.00 33.50 30.98 2fug n PRO 176 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2fug h THR 177 N 5.85 0.00 -0.64 0.52 1.35 -1.95 -2.99 112.91 115.05 2fug h THR 177 Ca 0.28 -0.30 0.23 0.00 -0.55 0.00 0.00 66.41 66.07 2fug h THR 177 Cb 0.89 1.09 -0.12 0.00 -1.73 0.00 0.00 68.15 68.29 2fug h THR 177 CO 1.35 0.00 0.20 -0.62 -0.25 0.00 0.00 175.52 176.20 2fug n GLU 178 N -2.35 -0.04 0.00 4.72 4.71 -1.26 -4.37 120.64 122.04 2fug n GLU 178 Ca 0.02 0.91 0.00 0.00 -0.01 0.00 0.00 57.16 58.09 2fug n GLU 178 Cb 0.26 -1.55 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 2fug n GLU 178 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63