#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fll n THR 3 N -0.04 0.00 -4.59 0.00 -2.24 -1.26 -4.98 114.28 101.18 3fll n THR 3 Ca 0.01 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.24 3fll n THR 3 Cb 0.53 1.24 -0.12 0.00 -2.10 0.00 0.00 70.33 69.88 3fll n THR 3 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3fll s LYS 4 N -0.25 3.08 -0.74 -0.78 -0.14 -1.26 -5.05 119.74 114.60 3fll s LYS 4 Ca 0.00 -0.56 -0.15 0.00 -1.36 0.00 0.00 55.97 53.90 3fll s LYS 4 Cb 0.00 -2.68 0.18 0.00 -1.68 0.00 0.00 37.83 33.65 3fll s LYS 4 CO 0.00 0.49 0.71 1.21 -0.76 0.00 0.00 175.35 177.00 3fll s ASN 5 N -0.34 6.57 0.31 2.83 2.47 -1.26 -5.05 114.94 120.47 3fll s ASN 5 Ca 0.05 -2.35 -0.29 0.00 0.42 0.00 0.00 52.86 50.69 3fll s ASN 5 Cb -0.12 -2.22 -0.10 0.00 -1.45 0.00 0.00 41.25 37.35 3fll s ASN 5 CO 0.02 -0.71 1.25 0.00 -3.72 0.00 0.00 177.10 173.95 3fll s ALA 6 N 0.82 3.48 -0.21 1.71 0.00 -1.26 -4.99 121.76 121.31 3fll s ALA 6 Ca 0.14 1.16 -0.16 0.00 0.00 0.00 0.00 51.96 53.09 3fll s ALA 6 Cb -0.16 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 3fll s ALA 6 CO -0.05 -0.51 0.42 0.42 0.00 0.00 0.00 175.76 176.05 3fll s ILE 7 N -1.06 5.17 0.60 0.00 -1.09 -1.26 -5.00 121.20 118.57 3fll s ILE 7 Ca 0.48 0.75 -0.18 0.00 -2.23 0.00 0.00 60.65 59.47 3fll s ILE 7 Cb -0.37 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 36.72 3fll s ILE 7 CO 0.49 0.22 1.14 0.00 -1.23 0.00 0.00 174.94 175.56 3fll s ALA 8 N 1.48 2.57 0.16 9.38 0.00 -1.26 -4.38 121.76 129.71 3fll s ALA 8 Ca 0.20 0.76 -0.34 0.00 0.00 0.00 0.00 51.96 52.57 3fll s ALA 8 Cb -0.15 -3.36 -0.14 0.00 0.00 0.00 0.00 23.12 19.46 3fll s ALA 8 CO 0.08 -1.05 1.51 0.94 0.00 0.00 0.00 175.76 177.24 3fll n GLN 9 N -1.79 1.96 -1.99 0.00 7.27 0.03 -4.91 117.38 117.94 3fll n GLN 9 Ca 0.12 0.71 -0.42 0.00 0.07 0.00 0.00 57.00 57.47 3fll n GLN 9 Cb 0.51 -2.43 -0.03 0.00 2.41 0.00 0.00 30.24 30.70 3fll n GLN 9 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 3fll s THR 10 N 0.68 2.73 -1.06 1.69 2.01 -1.26 -2.46 115.64 117.97 3fll s THR 10 Ca 0.78 0.55 0.00 0.00 0.31 0.00 0.00 61.69 63.33 3fll s THR 10 Cb -0.72 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 68.44 3fll s THR 10 CO 0.41 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 3fll n GLY 11 N 3.22 0.20 3.64 4.40 0.00 -1.26 -4.94 105.19 110.45 3fll n GLY 11 Ca 0.11 -0.42 -0.48 0.00 0.00 0.00 0.00 46.02 45.24 3fll n GLY 11 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3fll n PHE 12 N -3.70 1.97 -3.25 1.61 7.35 -1.03 -4.91 117.46 115.50 3fll n PHE 12 Ca -0.13 0.43 -0.46 0.00 -0.76 0.00 0.00 57.45 56.52 3fll n PHE 12 Cb 0.56 -2.45 -0.02 0.00 0.35 0.00 0.00 39.48 37.91 3fll n PHE 12 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3fll s ASN 13 N 0.62 6.72 0.21 -2.13 3.84 -1.26 -4.93 114.94 118.02 3fll s ASN 13 Ca 0.78 -2.54 -0.08 0.00 0.21 0.00 0.00 52.86 51.23 3fll s ASN 13 Cb -0.76 -2.25 0.16 0.00 -0.55 0.00 0.00 41.25 37.85 3fll s ASN 13 CO 0.43 -0.68 1.80 0.07 -2.79 0.00 0.00 177.10 175.94 3fll h LYS 14 N 8.02 1.14 -0.20 0.43 2.10 -2.00 -2.56 116.57 123.51 3fll h LYS 14 Ca 0.10 -0.17 -0.06 0.00 -2.00 0.00 0.00 60.65 58.53 3fll h LYS 14 Cb 1.04 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 32.15 3fll h LYS 14 CO 0.83 0.88 -0.13 -0.44 -2.00 0.00 0.00 179.45 178.59 3fll h ASP 15 N 1.12 0.30 -0.17 7.07 5.19 -1.91 0.11 116.42 128.12 3fll h ASP 15 Ca 0.27 -0.07 -0.12 0.00 -0.62 0.00 0.00 57.03 56.49 3fll h ASP 15 Cb 0.12 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.55 3fll h ASP 15 CO -0.03 0.47 -0.36 0.11 -3.12 0.00 0.00 179.24 176.30 3fll h LYS 16 N 0.30 0.55 -0.13 3.56 1.57 -1.91 -3.19 116.57 117.32 3fll h LYS 16 Ca 0.06 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.46 3fll h LYS 16 Cb 0.42 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 3fll h LYS 16 CO 0.02 0.97 0.01 -0.92 -0.57 0.00 0.00 179.45 178.97 3fll h TYR 17 N 0.20 0.24 -1.12 -1.35 3.20 -1.24 -3.26 116.97 113.64 3fll h TYR 17 Ca 0.00 -0.04 -0.69 0.00 3.14 0.00 0.00 58.73 61.14 3fll h TYR 17 Cb 0.96 -0.06 -0.13 0.00 1.54 0.00 0.00 36.73 39.03 3fll h TYR 17 CO 0.09 0.42 2.06 1.19 -1.64 0.00 0.00 178.16 180.29 3fll n PHE 18 N -4.81 2.40 0.17 -3.82 3.72 0.36 -4.60 117.46 110.89 3fll n PHE 18 Ca -0.06 -2.66 0.11 0.00 -0.05 0.00 0.00 57.45 54.80 3fll n PHE 18 Cb 0.19 -1.76 0.22 0.00 -0.94 0.00 0.00 39.48 37.19 3fll n PHE 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3fll n ASN 19 N 1.59 3.48 0.00 4.37 6.94 -1.15 -3.83 115.26 126.66 3fll n ASN 19 Ca 0.60 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 53.18 3fll n ASN 19 Cb 0.30 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 3fll n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3fll n GLY 20 N 1.45 0.86 4.01 4.83 0.00 0.58 -4.96 105.19 111.95 3fll n GLY 20 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 3fll n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fll s ASP 21 N -2.99 4.81 -0.08 1.61 2.15 -1.24 -4.66 116.67 116.27 3fll s ASP 21 Ca 0.00 -0.49 -0.07 0.00 0.43 0.00 0.00 52.55 52.41 3fll s ASP 21 Cb 0.00 -0.06 -0.04 0.00 -0.30 0.00 0.00 42.92 42.52 3fll s ASP 21 CO 0.00 -1.52 0.19 -0.69 -0.17 0.00 0.00 175.17 172.99 3fll s VAL 22 N -2.87 5.42 -0.04 1.11 1.01 -1.26 -2.71 120.40 121.06 3fll s VAL 22 Ca 0.63 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.90 3fll s VAL 22 Cb -0.06 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 3fll s VAL 22 CO 0.41 0.55 -0.20 0.26 0.00 0.00 0.00 175.10 176.12 3fll s TRP 23 N -1.10 2.52 -0.10 5.22 0.52 0.69 -4.63 118.94 122.07 3fll s TRP 23 Ca 0.19 -0.34 -0.01 0.00 0.02 0.00 0.00 56.10 55.96 3fll s TRP 23 Cb -0.13 -1.58 -0.03 0.00 -1.15 0.00 0.00 33.47 30.59 3fll s TRP 23 CO 0.08 0.04 -0.05 0.71 0.02 0.00 0.00 176.95 177.75 3fll s TYR 24 N -0.60 2.99 -0.19 -1.98 2.02 -0.34 -0.61 117.35 118.64 3fll s TYR 24 Ca 0.09 -0.06 -0.29 0.00 -0.37 0.00 0.00 57.07 56.44 3fll s TYR 24 Cb -0.11 -1.79 -0.00 0.00 -0.40 0.00 0.00 41.96 39.66 3fll s TYR 24 CO 0.00 0.24 1.10 0.08 -1.57 0.00 0.00 175.55 175.40 3fll s VAL 25 N -0.47 4.57 -0.08 0.71 1.01 -0.58 -1.16 120.40 124.40 3fll s VAL 25 Ca 0.07 1.89 0.18 0.00 0.00 0.00 0.00 61.98 64.12 3fll s VAL 25 Cb -0.12 -4.22 -0.27 0.00 0.00 0.00 0.00 36.38 31.78 3fll s VAL 25 CO 0.02 -0.14 0.29 0.35 0.00 0.00 0.00 175.10 175.61 3fll n THR 26 N 5.23 0.45 -3.65 3.92 -2.24 -0.16 -4.65 114.28 113.18 3fll n THR 26 Ca 0.12 -0.55 -0.15 0.00 -2.27 0.00 0.00 64.05 61.20 3fll n THR 26 Cb 0.46 -0.16 -0.08 0.00 -2.10 0.00 0.00 70.33 68.46 3fll n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3fll s ASP 27 N -4.55 -0.48 0.05 3.42 1.11 -1.21 -1.21 116.67 113.81 3fll s ASP 27 Ca -0.08 0.61 -0.07 0.00 0.18 0.00 0.00 52.55 53.20 3fll s ASP 27 Cb 0.10 0.62 -0.01 0.00 1.07 0.00 0.00 42.92 44.70 3fll s ASP 27 CO 0.77 -0.44 0.13 -0.72 1.18 0.00 0.00 175.17 176.09 3fll s TYR 28 N -0.83 0.18 -0.19 4.23 1.13 -0.38 -0.74 117.35 120.75 3fll s TYR 28 Ca -0.09 -0.52 -0.04 0.00 -1.41 0.00 0.00 57.07 55.02 3fll s TYR 28 Cb -0.03 -0.12 0.06 0.00 -1.10 0.00 0.00 41.96 40.78 3fll s TYR 28 CO 0.05 -0.42 0.06 -1.17 -2.51 0.00 0.00 175.55 171.56 3fll s LEU 29 N -2.35 0.92 -0.18 -3.49 2.96 -0.19 -0.28 118.68 116.07 3fll s LEU 29 Ca -0.02 -0.79 -0.12 0.00 -0.22 0.00 0.00 54.13 52.98 3fll s LEU 29 Cb 0.01 -0.48 -0.05 0.00 0.50 0.00 0.00 46.19 46.17 3fll s LEU 29 CO -0.06 -0.33 0.21 -0.62 -1.32 0.00 0.00 176.35 174.23 3fll s ASP 30 N 1.95 6.33 0.33 3.68 -1.08 -1.26 -0.89 116.67 125.72 3fll s ASP 30 Ca 0.01 0.38 0.26 0.00 -0.52 0.00 0.00 52.55 52.67 3fll s ASP 30 Cb -0.17 -2.14 0.86 0.00 -1.46 0.00 0.00 42.92 40.02 3fll s ASP 30 CO -0.10 0.15 1.76 -0.07 0.52 0.00 0.00 175.17 177.43 3fll h LEU 31 N 6.60 0.00 -6.06 -1.34 3.38 -1.28 -3.31 115.31 113.31 3fll h LEU 31 Ca -0.42 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.97 3fll h LEU 31 Cb 1.16 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.50 3fll h LEU 31 CO 0.75 0.00 -0.70 1.21 0.09 0.00 0.00 178.44 179.79 3fll n GLU 32 N -2.56 2.25 0.00 1.13 2.13 -1.26 -4.95 120.64 117.37 3fll n GLU 32 Ca 0.03 -4.41 0.00 0.00 0.66 0.00 0.00 57.16 53.45 3fll n GLU 32 Cb 0.37 -2.06 0.00 0.00 0.27 0.00 0.00 31.44 30.03 3fll n GLU 32 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3fll n PRO 33 N 0.81 -0.49 -1.55 5.31 -0.04 -1.25 -1.33 135.00 136.45 3fll n PRO 33 Ca 0.28 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.73 3fll n PRO 33 Cb 0.44 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.89 3fll n PRO 33 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3fll n ASP 34 N -2.80 -0.50 -0.05 3.54 9.92 -1.26 -4.84 116.55 120.56 3fll n ASP 34 Ca 0.00 0.17 -0.15 0.00 -0.53 0.00 0.00 54.79 54.28 3fll n ASP 34 Cb 0.00 -0.49 -0.13 0.00 -0.64 0.00 0.00 41.12 39.86 3fll n ASP 34 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 3fll h ASP 35 N -0.03 0.08 -4.14 -2.24 3.58 -1.60 -3.48 116.42 108.58 3fll h ASP 35 Ca -0.02 -0.97 -0.52 0.00 0.42 0.00 0.00 57.03 55.94 3fll h ASP 35 Cb 0.48 -0.03 -0.21 0.00 1.72 0.00 0.00 39.33 41.30 3fll h ASP 35 CO 0.03 1.09 -0.81 -0.69 -2.88 0.00 0.00 179.24 175.98 3fll s VAL 36 N -2.26 1.59 1.00 2.25 1.01 -1.26 -5.10 120.40 117.63 3fll s VAL 36 Ca -0.19 -1.56 -0.15 0.00 0.00 0.00 0.00 61.98 60.08 3fll s VAL 36 Cb -0.02 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.87 3fll s VAL 36 CO 0.71 -0.15 0.05 -2.65 0.00 0.00 0.00 175.10 173.06 3fll n PRO 37 N 0.98 -0.52 0.17 2.72 -0.02 -1.26 -4.94 135.00 132.12 3fll n PRO 37 Ca -0.19 -0.12 0.13 0.00 -2.02 0.00 0.00 63.50 61.30 3fll n PRO 37 Cb 0.54 -1.65 0.31 0.00 -0.02 0.00 0.00 33.50 32.68 3fll n PRO 37 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3fll h LYS 38 N -1.56 0.00 -4.91 -0.52 1.57 -2.02 -3.43 116.57 105.69 3fll h LYS 38 Ca -0.46 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.71 3fll h LYS 38 Cb 1.31 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.28 3fll h LYS 38 CO 0.33 0.00 -0.85 1.03 -0.57 0.00 0.00 179.45 179.39 3fll s ARG 39 N -3.18 2.45 0.07 3.15 0.52 -1.26 -4.95 118.95 115.74 3fll s ARG 39 Ca 0.08 -0.65 -0.21 0.00 -0.52 0.00 0.00 55.73 54.43 3fll s ARG 39 Cb 0.09 -2.01 0.05 0.00 0.52 0.00 0.00 34.95 33.60 3fll s ARG 39 CO 0.62 0.00 0.49 -0.47 0.02 0.00 0.00 175.30 175.96 3fll s TYR 40 N 0.80 -0.38 -0.07 -0.53 6.14 -1.26 -4.55 117.35 117.51 3fll s TYR 40 Ca -0.10 0.34 0.01 0.00 0.64 0.00 0.00 57.07 57.96 3fll s TYR 40 Cb -0.16 0.33 0.02 0.00 0.42 0.00 0.00 41.96 42.57 3fll s TYR 40 CO 0.01 -0.65 -0.09 0.00 0.64 0.00 0.00 175.55 175.45 3fll s ALA 42 N 0.94 -0.49 0.20 0.00 0.00 -1.26 -0.92 121.76 120.22 3fll s ALA 42 Ca -0.10 0.22 -0.14 0.00 0.00 0.00 0.00 51.96 51.94 3fll s ALA 42 Cb -0.15 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.92 3fll s ALA 42 CO 0.01 -0.18 0.44 0.00 0.00 0.00 0.00 175.76 176.03 3fll s ALA 43 N -0.85 -0.52 0.11 0.00 0.00 -0.79 -1.53 121.76 118.18 3fll s ALA 43 Ca -0.09 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 3fll s ALA 43 Cb -0.05 0.90 0.01 0.00 0.00 0.00 0.00 23.12 23.97 3fll s ALA 43 CO 0.02 -0.77 0.25 -0.48 0.00 0.00 0.00 175.76 174.78 3fll s LEU 44 N -2.93 1.11 0.09 0.00 0.05 0.22 -1.08 118.68 116.14 3fll s LEU 44 Ca 0.14 -0.59 0.10 0.00 0.05 0.00 0.00 54.13 53.83 3fll s LEU 44 Cb 0.00 1.26 -0.03 0.00 -2.05 0.00 0.00 46.19 45.37 3fll s LEU 44 CO 0.01 -0.78 -0.27 0.00 -0.55 0.00 0.00 176.35 174.76 3fll s ALA 45 N -3.86 2.30 -0.02 1.48 0.00 0.11 -0.22 121.76 121.55 3fll s ALA 45 Ca 0.06 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.65 3fll s ALA 45 Cb 0.04 -0.42 0.03 0.00 0.00 0.00 0.00 23.12 22.77 3fll s ALA 45 CO -0.10 0.53 0.01 0.00 0.00 0.00 0.00 175.76 176.20 3fll s ALA 46 N -0.95 0.19 0.02 0.00 0.00 -1.10 -0.95 121.76 118.97 3fll s ALA 46 Ca 0.13 0.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.01 3fll s ALA 46 Cb -0.10 -0.26 0.11 0.00 0.00 0.00 0.00 23.12 22.87 3fll s ALA 46 CO 0.04 -0.08 1.23 0.20 0.00 0.00 0.00 175.76 177.16 3fll s GLY 47 N 0.94 -0.30 -0.19 0.00 0.00 -0.64 -0.31 107.32 106.82 3fll s GLY 47 Ca -0.09 0.42 -0.16 0.00 0.00 0.00 0.00 44.72 44.89 3fll s GLY 47 CO -0.02 1.36 0.40 -1.59 0.00 0.00 0.00 173.10 173.25 3fll s THR 48 N -2.42 5.20 -0.21 0.90 2.01 -1.25 -0.63 115.64 119.24 3fll s THR 48 Ca 0.18 0.73 0.02 0.00 0.31 0.00 0.00 61.69 62.92 3fll s THR 48 Cb 0.03 -3.73 0.04 0.00 0.01 0.00 0.00 72.50 68.84 3fll s THR 48 CO -0.02 0.27 -0.15 0.00 -0.69 0.00 0.00 174.62 174.02 3fll s ALA 49 N 1.20 2.35 -1.39 7.40 0.00 0.56 -4.75 121.76 127.12 3fll s ALA 49 Ca 0.20 -1.40 -0.14 0.00 0.00 0.00 0.00 51.96 50.62 3fll s ALA 49 Cb -0.15 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.66 3fll s ALA 49 CO 0.08 -0.72 0.33 0.45 0.00 0.00 0.00 175.76 175.90 3fll n SER 50 N 4.57 -1.32 0.00 0.00 2.88 -1.26 -1.32 113.62 117.17 3fll n SER 50 Ca -0.17 -1.25 0.00 0.00 -1.33 0.00 0.00 58.87 56.11 3fll n SER 50 Cb 0.47 -1.84 0.00 0.00 -0.75 0.00 0.00 64.21 62.09 3fll n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fll n GLY 51 N -2.31 1.46 3.59 0.46 0.00 -1.26 -5.01 105.19 102.12 3fll n GLY 51 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 3fll n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fll s LYS 52 N -0.01 3.43 -0.19 1.61 -0.14 -0.43 -5.08 119.74 118.92 3fll s LYS 52 Ca 0.00 -0.45 -0.29 0.00 -1.36 0.00 0.00 55.97 53.87 3fll s LYS 52 Cb 0.00 -2.90 -0.01 0.00 -1.68 0.00 0.00 37.83 33.24 3fll s LYS 52 CO 0.00 0.44 1.20 -1.17 -0.76 0.00 0.00 175.35 175.05 3fll s LEU 53 N -0.15 4.14 0.11 3.17 2.96 -1.26 -0.32 118.68 127.33 3fll s LEU 53 Ca 0.04 1.58 0.06 0.00 -0.22 0.00 0.00 54.13 55.59 3fll s LEU 53 Cb -0.13 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 3fll s LEU 53 CO 0.02 -0.75 -0.16 -0.54 -1.32 0.00 0.00 176.35 173.60 3fll s LYS 54 N 3.44 1.01 -0.01 1.98 -0.14 0.19 -0.64 119.74 125.58 3fll s LYS 54 Ca 0.51 -1.16 0.01 0.00 -1.36 0.00 0.00 55.97 53.97 3fll s LYS 54 Cb -0.19 -1.02 -0.00 0.00 -1.68 0.00 0.00 37.83 34.93 3fll s LYS 54 CO 0.12 0.22 -0.04 -0.65 -0.76 0.00 0.00 175.35 174.24 3fll s GLN 55 N -2.28 0.32 -0.06 1.68 -0.21 -0.69 -1.62 119.66 116.81 3fll s GLN 55 Ca 0.06 -0.13 0.01 0.00 0.02 0.00 0.00 55.36 55.33 3fll s GLN 55 Cb -0.07 -0.33 -0.03 0.00 1.00 0.00 0.00 33.01 33.58 3fll s GLN 55 CO 0.03 0.07 -0.08 0.00 -2.12 0.00 0.00 175.29 173.19 3fll s ALA 56 N -0.01 2.93 0.16 6.09 0.00 -0.12 -0.75 121.76 130.06 3fll s ALA 56 Ca 0.01 -0.91 0.11 0.00 0.00 0.00 0.00 51.96 51.16 3fll s ALA 56 Cb -0.02 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 3fll s ALA 56 CO -0.00 0.57 -0.24 -0.51 0.00 0.00 0.00 175.76 175.58 3fll s LEU 57 N -0.84 2.38 -0.04 0.00 1.43 0.43 -0.71 118.68 121.33 3fll s LEU 57 Ca 0.13 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 3fll s LEU 57 Cb -0.11 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 45.03 3fll s LEU 57 CO 0.02 0.11 -0.04 -0.47 0.23 0.00 0.00 176.35 176.20 3fll s TYR 58 N -1.47 0.69 -0.03 0.29 5.04 -0.25 -1.55 117.35 120.08 3fll s TYR 58 Ca 0.16 -0.18 0.05 0.00 -2.44 0.00 0.00 57.07 54.67 3fll s TYR 58 Cb -0.09 -0.64 -0.01 0.00 0.35 0.00 0.00 41.96 41.58 3fll s TYR 58 CO 0.08 -0.19 -0.19 -1.01 -1.34 0.00 0.00 175.55 172.90 3fll s HIS 59 N 0.97 1.75 -0.06 4.97 3.76 -0.26 -1.89 115.29 124.54 3fll s HIS 59 Ca -0.10 -0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 54.37 3fll s HIS 59 Cb -0.14 -1.15 0.04 0.00 1.11 0.00 0.00 32.58 32.44 3fll s HIS 59 CO -0.00 -0.09 0.12 -0.47 -0.85 0.00 0.00 174.74 173.44 3fll s TYR 60 N -0.24 -0.11 -0.41 1.40 5.04 -0.10 -1.58 117.35 121.35 3fll s TYR 60 Ca 0.02 0.41 -0.18 0.00 -2.44 0.00 0.00 57.07 54.88 3fll s TYR 60 Cb -0.09 -0.18 0.02 0.00 0.35 0.00 0.00 41.96 42.05 3fll s TYR 60 CO 0.01 -0.17 0.50 0.34 -1.34 0.00 0.00 175.55 174.89 3fll s ASP 61 N 1.45 6.25 0.08 4.32 -1.08 -0.11 -1.14 116.67 126.44 3fll s ASP 61 Ca -0.06 -0.48 0.18 0.00 -0.52 0.00 0.00 52.55 51.68 3fll s ASP 61 Cb -0.12 -2.26 0.76 0.00 -1.46 0.00 0.00 42.92 39.85 3fll s ASP 61 CO -0.05 -0.62 1.57 -0.81 0.52 0.00 0.00 175.17 175.78 3fll n PRO 62 N 5.80 0.06 -0.11 4.34 -0.04 -1.26 -0.36 135.00 143.44 3fll n PRO 62 Ca -0.05 0.28 -0.23 0.00 -0.04 0.00 0.00 63.50 63.45 3fll n PRO 62 Cb 0.48 -1.61 -0.11 0.00 -0.04 0.00 0.00 33.50 32.21 3fll n PRO 62 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3fll n LYS 63 N -1.72 0.58 0.15 0.54 4.76 -1.26 -4.54 118.16 116.66 3fll n LYS 63 Ca 0.03 0.50 0.12 0.00 -2.87 0.00 0.00 58.31 56.09 3fll n LYS 63 Cb 0.20 -1.70 0.12 0.00 -1.84 0.00 0.00 35.03 31.82 3fll n LYS 63 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3fll h THR 64 N -0.94 0.00 0.00 -0.18 1.35 -1.97 -3.47 112.91 107.70 3fll h THR 64 Ca -0.42 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 3fll h THR 64 Cb 1.41 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 3fll h THR 64 CO -0.24 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.03 3fll n GLN 65 N -2.78 -0.53 -1.89 4.72 1.13 0.52 -4.99 117.38 113.55 3fll n GLN 65 Ca 0.03 0.13 -0.42 0.00 -1.94 0.00 0.00 57.00 54.80 3fll n GLN 65 Cb 0.52 -3.53 -0.03 0.00 0.11 0.00 0.00 30.24 27.31 3fll n GLN 65 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3fll s ASP 66 N -2.04 6.56 -0.03 1.08 2.15 -1.24 -4.77 116.67 118.38 3fll s ASP 66 Ca 0.00 2.61 0.01 0.00 0.43 0.00 0.00 52.55 55.60 3fll s ASP 66 Cb 0.00 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 40.06 3fll s ASP 66 CO 0.00 -0.87 -0.03 -0.89 -0.17 0.00 0.00 175.17 173.21 3fll s THR 67 N 1.77 0.36 -0.04 1.71 2.01 -1.26 -0.93 115.64 119.26 3fll s THR 67 Ca 0.73 -0.04 -0.21 0.00 0.31 0.00 0.00 61.69 62.48 3fll s THR 67 Cb -0.43 -0.41 0.04 0.00 0.01 0.00 0.00 72.50 71.71 3fll s THR 67 CO 0.32 0.18 0.47 0.72 -0.69 0.00 0.00 174.62 175.62 3fll s PHE 68 N 0.88 -0.39 0.19 4.92 -0.71 -0.62 -5.02 117.98 117.23 3fll s PHE 68 Ca -0.10 0.68 0.10 0.00 -1.04 0.00 0.00 56.93 56.56 3fll s PHE 68 Cb -0.13 0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 41.86 3fll s PHE 68 CO -0.01 -0.47 -0.13 0.71 -1.34 0.00 0.00 175.22 173.98 3fll s TYR 69 N -1.17 2.54 0.01 3.49 1.51 -1.24 -1.11 117.35 121.39 3fll s TYR 69 Ca -0.12 -0.26 -0.03 0.00 -1.01 0.00 0.00 57.07 55.65 3fll s TYR 69 Cb -0.03 -1.24 -0.01 0.00 -0.11 0.00 0.00 41.96 40.57 3fll s TYR 69 CO 0.06 0.52 0.04 -0.51 -1.11 0.00 0.00 175.55 174.55 3fll s ASP 70 N -2.82 0.15 -0.03 2.29 1.11 -0.59 -1.71 116.67 115.07 3fll s ASP 70 Ca 0.24 -0.37 0.06 0.00 0.18 0.00 0.00 52.55 52.66 3fll s ASP 70 Cb -0.08 0.14 -0.02 0.00 1.07 0.00 0.00 42.92 44.03 3fll s ASP 70 CO 0.14 -0.32 -0.21 -0.69 1.18 0.00 0.00 175.17 175.27 3fll s VAL 71 N -1.40 2.49 0.02 -1.27 1.01 -0.34 -0.43 120.40 120.48 3fll s VAL 71 Ca -0.15 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.88 3fll s VAL 71 Cb -0.09 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 3fll s VAL 71 CO 0.00 0.57 -0.06 -0.44 0.00 0.00 0.00 175.10 175.17 3fll s SER 72 N -0.71 0.63 -0.20 3.32 0.01 0.07 -1.15 113.70 115.66 3fll s SER 72 Ca 0.11 -0.33 -0.06 0.00 1.31 0.00 0.00 55.95 56.98 3fll s SER 72 Cb -0.10 0.00 -0.03 0.00 0.21 0.00 0.00 66.02 66.10 3fll s SER 72 CO -0.00 -0.10 0.02 -0.70 0.41 0.00 0.00 173.24 172.87 3fll s GLU 73 N -0.90 3.71 -0.21 12.44 2.56 -1.26 -1.70 118.70 133.34 3fll s GLU 73 Ca -0.05 -0.47 -0.12 0.00 0.00 0.00 0.00 54.97 54.32 3fll s GLU 73 Cb -0.06 -3.14 -0.05 0.00 2.00 0.00 0.00 34.13 32.88 3fll s GLU 73 CO -0.00 0.05 0.23 -0.51 -0.56 0.00 0.00 175.26 174.47 3fll s LEU 74 N 0.94 4.17 -0.05 2.70 1.02 0.19 -3.59 118.68 124.05 3fll s LEU 74 Ca 0.02 0.30 -0.07 0.00 0.02 0.00 0.00 54.13 54.40 3fll s LEU 74 Cb -0.14 -2.25 -0.04 0.00 0.02 0.00 0.00 46.19 43.78 3fll s LEU 74 CO 0.02 0.06 0.22 -1.10 0.02 0.00 0.00 176.35 175.57 3fll s GLN 75 N 0.87 3.55 -0.19 1.70 -0.21 0.20 -4.61 119.66 120.96 3fll s GLN 75 Ca 0.12 -0.06 -0.24 0.00 0.02 0.00 0.00 55.36 55.20 3fll s GLN 75 Cb -0.13 -3.15 -0.02 0.00 1.00 0.00 0.00 33.01 30.71 3fll s GLN 75 CO 0.04 0.72 0.78 0.08 -2.12 0.00 0.00 175.29 174.78 3fll s VAL 76 N -1.15 4.91 -0.15 1.09 1.01 -1.26 -1.19 120.40 123.66 3fll s VAL 76 Ca 0.21 1.50 -0.03 0.00 0.00 0.00 0.00 61.98 63.66 3fll s VAL 76 Cb -0.13 -4.08 -0.24 0.00 0.00 0.00 0.00 36.38 31.93 3fll s VAL 76 CO 0.10 0.03 0.22 -0.62 0.00 0.00 0.00 175.10 174.84 3fll n GLU 77 N 5.32 0.72 -3.75 2.72 -0.58 -0.16 -4.95 120.64 119.97 3fll n GLU 77 Ca 0.03 0.23 -0.02 0.00 -0.42 0.00 0.00 57.16 56.98 3fll n GLU 77 Cb 0.49 -1.66 -0.00 0.00 -0.57 0.00 0.00 31.44 29.69 3fll n GLU 77 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3fll s SER 78 N -6.83 -0.11 0.07 1.62 1.04 -1.08 -5.01 113.70 103.39 3fll s SER 78 Ca -0.25 -0.38 -0.30 0.00 0.48 0.00 0.00 55.95 55.50 3fll s SER 78 Cb 0.07 0.39 -0.09 0.00 0.10 0.00 0.00 66.02 66.49 3fll s SER 78 CO 0.73 -0.74 1.87 -0.22 0.98 0.00 0.00 173.24 175.86 3fll s LEU 79 N -3.06 4.41 0.00 2.42 2.96 -1.26 -1.01 118.68 123.14 3fll s LEU 79 Ca 0.15 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 56.73 3fll s LEU 79 Cb 0.00 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.14 3fll s LEU 79 CO 0.01 -1.02 0.00 0.61 -1.32 0.00 0.00 176.35 174.63 3fll n GLY 80 N 4.36 0.78 2.96 7.98 0.00 -1.26 -4.78 105.19 115.23 3fll n GLY 80 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 3fll n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fll s LYS 81 N -0.12 1.76 0.07 1.61 1.02 -0.18 -1.03 119.74 122.86 3fll s LYS 81 Ca 0.00 -0.36 0.02 0.00 0.02 0.00 0.00 55.97 55.65 3fll s LYS 81 Cb 0.00 -1.68 -0.03 0.00 -0.52 0.00 0.00 37.83 35.60 3fll s LYS 81 CO 0.00 -0.20 -0.08 0.71 -0.92 0.00 0.00 175.35 174.86 3fll s TYR 82 N 1.44 0.84 -0.13 3.18 2.02 0.09 -0.99 117.35 123.81 3fll s TYR 82 Ca 0.01 -0.65 0.02 0.00 -0.37 0.00 0.00 57.07 56.08 3fll s TYR 82 Cb -0.13 -0.48 0.00 0.00 -0.40 0.00 0.00 41.96 40.95 3fll s TYR 82 CO -0.06 -0.08 -0.21 0.99 -1.57 0.00 0.00 175.55 174.62 3fll s THR 83 N -2.26 2.23 -0.09 -0.71 2.01 -0.33 -1.35 115.64 115.14 3fll s THR 83 Ca -0.00 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.09 3fll s THR 83 Cb -0.04 -1.89 0.01 0.00 0.01 0.00 0.00 72.50 70.59 3fll s THR 83 CO -0.01 0.55 -0.16 0.00 -0.69 0.00 0.00 174.62 174.30 3fll s ALA 84 N 0.64 1.67 0.92 7.40 0.00 0.23 -0.63 121.76 131.99 3fll s ALA 84 Ca -0.11 -0.69 -0.13 0.00 0.00 0.00 0.00 51.96 51.03 3fll s ALA 84 Cb -0.16 -0.75 0.14 0.00 0.00 0.00 0.00 23.12 22.35 3fll s ALA 84 CO 0.02 0.06 1.14 -0.80 0.00 0.00 0.00 175.76 176.19 3fll s ASN 85 N 0.74 3.45 -0.04 0.00 0.01 -1.24 -0.49 114.94 117.38 3fll s ASN 85 Ca -0.12 0.92 -0.08 0.00 -0.71 0.00 0.00 52.86 52.88 3fll s ASN 85 Cb -0.16 -1.47 0.01 0.00 0.41 0.00 0.00 41.25 40.05 3fll s ASN 85 CO 0.02 -2.58 0.19 0.72 -1.51 0.00 0.00 177.10 173.94 3fll s PHE 86 N -3.30 -0.11 -0.07 2.20 -0.12 -1.25 -4.11 117.98 111.22 3fll s PHE 86 Ca 0.64 0.23 0.05 0.00 -0.05 0.00 0.00 56.93 57.80 3fll s PHE 86 Cb -0.14 0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.26 3fll s PHE 86 CO 0.53 -0.21 -0.22 -1.59 -0.05 0.00 0.00 175.22 173.68 3fll s LYS 87 N -0.66 2.70 0.05 1.99 -2.85 -0.30 -4.18 119.74 116.48 3fll s LYS 87 Ca -0.08 -0.85 -0.29 0.00 -1.00 0.00 0.00 55.97 53.75 3fll s LYS 87 Cb -0.04 -2.26 -0.04 0.00 -2.06 0.00 0.00 37.83 33.42 3fll s LYS 87 CO 0.01 0.37 0.95 0.21 0.10 0.00 0.00 175.35 176.99 3fll s LYS 88 N -0.12 4.62 0.09 1.78 2.20 -0.71 -1.19 119.74 126.40 3fll s LYS 88 Ca -0.04 1.39 0.02 0.00 -0.36 0.00 0.00 55.97 56.98 3fll s LYS 88 Cb -0.14 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 3fll s LYS 88 CO 0.04 0.10 -0.07 0.14 -0.36 0.00 0.00 175.35 175.20 3fll s VAL 89 N 0.46 0.68 1.09 4.02 -7.23 -0.69 -0.33 120.40 118.39 3fll s VAL 89 Ca 0.48 -1.80 -0.18 0.00 -1.81 0.00 0.00 61.98 58.68 3fll s VAL 89 Cb -0.22 -1.51 0.25 0.00 0.56 0.00 0.00 36.38 35.45 3fll s VAL 89 CO 0.28 -0.79 1.22 1.51 -0.31 0.00 0.00 175.10 177.01 3fll s ASP 90 N -2.81 1.99 0.53 4.85 1.47 -0.33 -3.65 116.67 118.73 3fll s ASP 90 Ca 0.08 0.43 0.35 0.00 1.18 0.00 0.00 52.55 54.59 3fll s ASP 90 Cb 0.03 -0.56 1.62 0.00 -0.34 0.00 0.00 42.92 43.66 3fll s ASP 90 CO -0.04 -3.44 2.04 0.07 0.68 0.00 0.00 175.17 174.48 3fll h LYS 91 N -2.12 0.00 -0.10 2.11 2.10 -1.95 -0.90 116.57 115.71 3fll h LYS 91 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 3fll h LYS 91 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3fll h LYS 91 CO 0.35 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.89 3fll n ASN 92 N -2.93 1.89 0.00 7.07 5.03 -1.26 -4.80 115.26 120.26 3fll n ASN 92 Ca -0.00 -1.67 0.00 0.00 0.87 0.00 0.00 54.58 53.78 3fll n ASN 92 Cb 0.21 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 3fll n ASN 92 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3fll n GLY 93 N 1.21 0.76 3.74 7.41 0.00 -0.34 -5.00 105.19 112.96 3fll n GLY 93 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3fll n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fll s ASN 94 N -2.23 7.27 -0.11 1.61 0.01 -1.26 -4.78 114.94 115.44 3fll s ASN 94 Ca 0.00 2.09 -0.30 0.00 -0.71 0.00 0.00 52.86 53.95 3fll s ASN 94 Cb 0.00 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 3fll s ASN 94 CO 0.00 -0.22 1.09 -0.69 -1.51 0.00 0.00 177.10 175.78 3fll s VAL 95 N -0.26 4.56 -0.22 1.60 1.01 -1.26 -1.19 120.40 124.64 3fll s VAL 95 Ca 0.49 1.86 0.06 0.00 0.00 0.00 0.00 61.98 64.39 3fll s VAL 95 Cb -0.29 -4.19 -0.17 0.00 0.00 0.00 0.00 36.38 31.72 3fll s VAL 95 CO 0.35 -0.03 -0.12 0.29 0.00 0.00 0.00 175.10 175.58 3fll n LYS 96 N 5.37 0.72 -3.70 2.72 5.02 0.55 -4.94 118.16 123.90 3fll n LYS 96 Ca 0.10 0.09 -0.22 0.00 -2.02 0.00 0.00 58.31 56.27 3fll n LYS 96 Cb 0.47 -1.47 -0.18 0.00 -0.02 0.00 0.00 35.03 33.84 3fll n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fll s VAL 97 N -2.46 0.05 0.86 -0.18 1.01 -0.80 -4.98 120.40 113.90 3fll s VAL 97 Ca -0.25 0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 3fll s VAL 97 Cb 0.07 -0.32 0.11 0.00 0.00 0.00 0.00 36.38 36.25 3fll s VAL 97 CO 0.60 0.15 1.09 0.00 0.00 0.00 0.00 175.10 176.95 3fll s ALA 98 N 2.10 1.71 0.30 5.51 0.00 -1.26 -1.74 121.76 128.38 3fll s ALA 98 Ca 0.05 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.78 3fll s ALA 98 Cb -0.13 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.64 3fll s ALA 98 CO -0.04 -2.23 1.45 0.28 0.00 0.00 0.00 175.76 175.21 3fll n VAL 99 N -3.82 1.35 -3.79 0.00 0.31 -1.26 -4.78 118.33 106.35 3fll n VAL 99 Ca 0.08 -0.34 -0.13 0.00 -0.01 0.00 0.00 64.34 63.94 3fll n VAL 99 Cb 0.54 -1.71 -0.11 0.00 -0.91 0.00 0.00 33.84 31.66 3fll n VAL 99 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3fll s THR 100 N -0.42 0.02 0.09 2.52 -4.23 -1.26 -5.08 115.64 107.28 3fll s THR 100 Ca 0.62 -0.13 -0.36 0.00 -1.18 0.00 0.00 61.69 60.64 3fll s THR 100 Cb -0.56 -0.39 -0.16 0.00 1.34 0.00 0.00 72.50 72.72 3fll s THR 100 CO 0.54 -0.07 1.40 0.00 -0.54 0.00 0.00 174.62 175.95 3fll n ALA 101 N 2.60 -0.49 0.00 3.99 0.00 -1.26 -1.34 120.51 124.01 3fll n ALA 101 Ca -0.15 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3fll n ALA 101 Cb 0.58 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.89 3fll n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fll n GLY 102 N 2.73 1.84 3.23 0.00 0.00 -1.26 -4.91 105.19 106.82 3fll n GLY 102 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3fll n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fll s ASN 103 N -1.80 5.72 0.17 1.61 -0.87 -0.45 -3.38 114.94 115.94 3fll s ASN 103 Ca 0.00 -1.85 -0.23 0.00 -1.57 0.00 0.00 52.86 49.21 3fll s ASN 103 Cb 0.00 -2.02 0.07 0.00 -0.02 0.00 0.00 41.25 39.28 3fll s ASN 103 CO 0.00 -0.68 0.62 -0.72 -2.57 0.00 0.00 177.10 173.75 3fll s TYR 104 N 1.38 -0.50 0.05 2.20 1.13 -0.60 -3.84 117.35 117.18 3fll s TYR 104 Ca 0.05 0.26 0.04 0.00 -1.41 0.00 0.00 57.07 56.01 3fll s TYR 104 Cb -0.26 0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 41.15 3fll s TYR 104 CO -0.00 -0.88 -0.12 1.52 -2.51 0.00 0.00 175.55 173.56 3fll s TYR 105 N -3.75 1.04 0.45 -3.49 1.13 0.36 -0.52 117.35 112.56 3fll s TYR 105 Ca 0.02 -0.44 -0.03 0.00 -1.41 0.00 0.00 57.07 55.21 3fll s TYR 105 Cb -0.02 -0.60 -0.03 0.00 -1.10 0.00 0.00 41.96 40.22 3fll s TYR 105 CO -0.11 0.01 0.72 0.95 -2.51 0.00 0.00 175.55 174.61 3fll s THR 106 N -1.18 4.81 -0.23 -3.49 -4.23 -0.43 -0.60 115.64 110.29 3fll s THR 106 Ca -0.03 -0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 60.36 3fll s THR 106 Cb -0.09 -3.81 0.11 0.00 1.34 0.00 0.00 72.50 70.05 3fll s THR 106 CO 0.01 -0.70 0.45 0.12 -0.54 0.00 0.00 174.62 173.96 3fll s PHE 107 N -2.62 -0.93 -0.12 3.99 5.36 -0.46 -2.65 117.98 120.55 3fll s PHE 107 Ca 0.46 1.44 0.02 0.00 -0.96 0.00 0.00 56.93 57.89 3fll s PHE 107 Cb -0.10 0.30 0.01 0.00 -0.34 0.00 0.00 43.02 42.89 3fll s PHE 107 CO 0.42 -0.60 -0.19 0.99 -1.46 0.00 0.00 175.22 174.38 3fll s THR 108 N 2.65 1.81 -0.58 0.12 2.01 -0.05 -0.73 115.64 120.87 3fll s THR 108 Ca 0.04 -0.83 -0.21 0.00 0.31 0.00 0.00 61.69 60.99 3fll s THR 108 Cb -0.13 -1.62 0.07 0.00 0.01 0.00 0.00 72.50 70.83 3fll s THR 108 CO -0.15 0.50 0.79 -0.69 -0.69 0.00 0.00 174.62 174.38 3fll s VAL 109 N 0.86 4.63 0.13 3.82 1.01 -0.20 -1.15 120.40 129.50 3fll s VAL 109 Ca -0.08 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.49 3fll s VAL 109 Cb -0.15 -4.50 -0.16 0.00 0.00 0.00 0.00 36.38 31.57 3fll s VAL 109 CO -0.01 -1.13 1.35 0.24 0.00 0.00 0.00 175.10 175.55 3fll h MET 110 N 9.26 0.00 -2.15 2.72 2.86 -1.21 0.12 114.93 126.53 3fll h MET 110 Ca -0.28 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.30 3fll h MET 110 Cb 1.08 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.53 3fll h MET 110 CO 1.08 0.90 0.08 -0.47 1.06 0.00 0.00 176.91 179.56 3fll s TYR 111 N -2.89 -0.68 -0.14 -0.22 5.04 -1.03 -2.99 117.35 114.43 3fll s TYR 111 Ca 0.01 1.52 -0.26 0.00 -2.44 0.00 0.00 57.07 55.90 3fll s TYR 111 Cb 0.10 0.28 0.06 0.00 0.35 0.00 0.00 41.96 42.76 3fll s TYR 111 CO 0.80 -0.42 0.65 0.00 -1.34 0.00 0.00 175.55 175.25 3fll s ALA 112 N -0.14 -1.66 0.00 3.97 0.00 -1.26 -0.99 121.76 121.68 3fll s ALA 112 Ca -0.04 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.44 3fll s ALA 112 Cb -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.59 3fll s ALA 112 CO 0.03 -0.34 0.00 -0.40 0.00 0.00 0.00 175.76 175.06 3fll n ASP 113 N 1.76 0.03 0.24 0.00 5.68 -0.36 -4.95 116.55 118.95 3fll n ASP 113 Ca -0.17 -0.51 0.11 0.00 -0.50 0.00 0.00 54.79 53.72 3fll n ASP 113 Cb 0.56 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.15 3fll n ASP 113 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3fll h ASP 114 N 0.00 0.00 0.00 -1.12 3.32 -2.02 -3.31 116.42 113.29 3fll h ASP 114 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fll h ASP 114 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3fll h ASP 114 CO 0.00 0.18 -1.27 -1.20 -1.72 0.00 0.00 179.24 175.23 3fll n SER 115 N -3.60 3.63 -3.98 6.45 7.64 -1.26 -4.85 113.62 117.65 3fll n SER 115 Ca -0.01 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.79 3fll n SER 115 Cb 0.32 1.27 -0.09 0.00 -1.01 0.00 0.00 64.21 64.70 3fll n SER 115 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3fll s SER 116 N -2.69 0.30 0.14 6.43 1.04 -1.25 -0.98 113.70 116.69 3fll s SER 116 Ca -0.02 -0.80 -0.18 0.00 0.48 0.00 0.00 55.95 55.43 3fll s SER 116 Cb 0.04 0.25 0.04 0.00 0.10 0.00 0.00 66.02 66.46 3fll s SER 116 CO 0.25 -0.63 0.47 0.00 0.98 0.00 0.00 173.24 174.31 3fll s ALA 117 N -3.68 -1.13 -0.11 5.32 0.00 -0.74 -1.23 121.76 120.20 3fll s ALA 117 Ca 0.04 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.11 3fll s ALA 117 Cb 0.05 0.77 0.02 0.00 0.00 0.00 0.00 23.12 23.96 3fll s ALA 117 CO -0.09 -0.70 -0.13 -1.17 0.00 0.00 0.00 175.76 173.67 3fll s LEU 118 N -2.79 1.61 0.20 0.00 2.96 -0.16 -0.51 118.68 119.98 3fll s LEU 118 Ca 0.03 -0.39 0.08 0.00 -0.22 0.00 0.00 54.13 53.63 3fll s LEU 118 Cb 0.01 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.64 3fll s LEU 118 CO -0.12 -0.01 -0.16 0.27 -1.32 0.00 0.00 176.35 175.01 3fll s ILE 119 N 1.10 1.80 -0.01 6.68 -5.25 -0.37 -0.88 121.20 124.27 3fll s ILE 119 Ca -0.05 -2.13 0.08 0.00 -0.99 0.00 0.00 60.65 57.56 3fll s ILE 119 Cb -0.14 -1.99 -0.02 0.00 2.95 0.00 0.00 42.46 43.26 3fll s ILE 119 CO -0.03 -0.50 -0.24 -2.28 -1.79 0.00 0.00 174.94 170.10 3fll s HIS 120 N -2.65 2.38 -0.02 1.37 5.65 -0.30 -1.35 115.29 120.38 3fll s HIS 120 Ca 0.21 -0.39 -0.01 0.00 0.25 0.00 0.00 55.06 55.11 3fll s HIS 120 Cb -0.03 -1.50 0.01 0.00 -1.18 0.00 0.00 32.58 29.88 3fll s HIS 120 CO 0.07 0.02 0.04 -0.08 -0.65 0.00 0.00 174.74 174.14 3fll s THR 121 N -0.66 -0.01 -0.28 0.89 -1.32 0.39 -0.87 115.64 113.78 3fll s THR 121 Ca 0.11 0.04 -0.01 0.00 -1.21 0.00 0.00 61.69 60.61 3fll s THR 121 Cb -0.10 -0.07 0.04 0.00 -1.51 0.00 0.00 72.50 70.86 3fll s THR 121 CO -0.00 0.02 -0.04 0.00 -2.21 0.00 0.00 174.62 172.39 3fll s LEU 123 N 1.26 4.47 -0.14 0.00 2.96 -1.26 -1.32 118.68 124.65 3fll s LEU 123 Ca -0.04 1.31 0.01 0.00 -0.22 0.00 0.00 54.13 55.20 3fll s LEU 123 Cb -0.19 -3.04 0.02 0.00 0.50 0.00 0.00 46.19 43.48 3fll s LEU 123 CO -0.03 0.12 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.96 3fll s HIS 124 N -0.43 2.29 -0.28 5.38 3.76 0.32 -4.66 115.29 121.67 3fll s HIS 124 Ca 0.33 -1.21 -0.01 0.00 -0.15 0.00 0.00 55.06 54.02 3fll s HIS 124 Cb -0.20 -1.63 0.13 0.00 1.11 0.00 0.00 32.58 32.00 3fll s HIS 124 CO 0.20 -0.62 0.30 0.21 -0.85 0.00 0.00 174.74 173.98 3fll s LYS 125 N 1.16 0.32 6.70 1.40 2.20 -1.23 -1.56 119.74 128.72 3fll s LYS 125 Ca -0.01 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 3fll s LYS 125 Cb -0.14 -0.68 0.00 0.00 -1.51 0.00 0.00 37.83 35.50 3fll s LYS 125 CO -0.06 -0.97 0.00 0.41 -0.36 0.00 0.00 175.35 174.36 3fll n GLY 126 N 5.32 3.31 1.96 5.54 0.00 -1.22 -1.94 105.19 118.16 3fll n GLY 126 Ca -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 3fll n GLY 126 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fll n ASN 127 N 3.36 5.06 -4.80 1.61 0.23 -1.26 -4.96 115.26 114.49 3fll n ASN 127 Ca 0.00 -3.16 -0.33 0.00 -0.53 0.00 0.00 54.58 50.56 3fll n ASN 127 Cb 0.00 -0.73 0.00 0.00 -2.08 0.00 0.00 39.78 36.97 3fll n ASN 127 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3fll s LYS 128 N -2.95 3.40 -0.36 -3.83 1.02 -0.82 -5.03 119.74 111.17 3fll s LYS 128 Ca 0.55 1.20 -0.05 0.00 0.02 0.00 0.00 55.97 57.69 3fll s LYS 128 Cb 0.44 -2.04 0.06 0.00 -0.52 0.00 0.00 37.83 35.76 3fll s LYS 128 CO 0.14 -0.74 0.14 0.34 -0.92 0.00 0.00 175.35 174.30 3fll s ASP 129 N -2.73 5.29 0.25 2.83 2.15 -1.26 -4.72 116.67 118.47 3fll s ASP 129 Ca 0.64 -1.41 0.09 0.00 0.43 0.00 0.00 52.55 52.30 3fll s ASP 129 Cb -0.16 -1.86 -0.05 0.00 -0.30 0.00 0.00 42.92 40.56 3fll s ASP 129 CO 0.35 -0.40 -0.16 -0.76 -0.17 0.00 0.00 175.17 174.04 3fll s LEU 130 N 1.33 2.57 0.00 -1.34 1.43 -1.26 -4.64 118.68 116.77 3fll s LEU 130 Ca 0.00 -1.05 0.02 0.00 -1.03 0.00 0.00 54.13 52.07 3fll s LEU 130 Cb -0.21 -0.86 -0.01 0.00 0.03 0.00 0.00 46.19 45.14 3fll s LEU 130 CO 0.01 -0.10 0.06 0.61 0.23 0.00 0.00 176.35 177.15 3fll n GLY 131 N -0.52 3.61 3.74 -3.19 0.00 -1.26 -1.69 105.19 105.87 3fll n GLY 131 Ca -0.06 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 3fll n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fll s ASP 132 N -2.84 6.65 -0.11 1.61 1.11 -1.26 -4.46 116.67 117.37 3fll s ASP 132 Ca 0.08 2.65 0.01 0.00 0.18 0.00 0.00 52.55 55.47 3fll s ASP 132 Cb 0.00 -2.62 0.02 0.00 1.07 0.00 0.00 42.92 41.40 3fll s ASP 132 CO 0.06 -0.72 -0.11 -0.22 1.18 0.00 0.00 175.17 175.37 3fll s LEU 133 N -0.13 1.44 -0.06 1.23 2.96 -0.61 -0.76 118.68 122.75 3fll s LEU 133 Ca 0.61 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 54.14 3fll s LEU 133 Cb -0.42 -0.94 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 3fll s LEU 133 CO 0.41 -0.06 0.09 -0.31 -1.32 0.00 0.00 176.35 175.17 3fll s TYR 134 N 1.36 3.38 -0.02 5.38 2.02 -0.07 -0.46 117.35 128.94 3fll s TYR 134 Ca -0.00 0.32 0.01 0.00 -0.37 0.00 0.00 57.07 57.02 3fll s TYR 134 Cb -0.14 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.62 3fll s TYR 134 CO -0.05 0.60 -0.02 0.00 -1.57 0.00 0.00 175.55 174.51 3fll s ALA 135 N -1.09 0.32 -0.19 3.71 0.00 -0.45 -1.03 121.76 123.03 3fll s ALA 135 Ca 0.19 0.03 -0.17 0.00 0.00 0.00 0.00 51.96 52.01 3fll s ALA 135 Cb -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3fll s ALA 135 CO 0.09 -0.01 0.45 0.08 0.00 0.00 0.00 175.76 176.37 3fll s VAL 136 N 0.55 5.17 0.17 0.00 1.01 0.08 -1.24 120.40 126.14 3fll s VAL 136 Ca -0.06 0.82 0.07 0.00 0.00 0.00 0.00 61.98 62.81 3fll s VAL 136 Cb -0.09 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3fll s VAL 136 CO -0.01 0.24 0.04 -0.76 0.00 0.00 0.00 175.10 174.61 3fll s LEU 137 N 1.28 3.45 -0.01 3.92 1.43 0.33 -0.98 118.68 128.10 3fll s LEU 137 Ca 0.22 -0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 52.92 3fll s LEU 137 Cb -0.15 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.98 3fll s LEU 137 CO 0.09 0.09 0.16 0.21 0.23 0.00 0.00 176.35 177.13 3fll s ASN 138 N -2.95 -0.02 0.53 2.29 3.84 -0.31 -1.80 114.94 116.52 3fll s ASN 138 Ca 0.28 -0.10 0.31 0.00 0.21 0.00 0.00 52.86 53.56 3fll s ASN 138 Cb -0.10 0.24 1.39 0.00 -0.55 0.00 0.00 41.25 42.23 3fll s ASN 138 CO 0.20 -0.34 2.00 0.03 -2.79 0.00 0.00 177.10 176.20 3fll h ARG 139 N 4.43 0.00 -5.04 0.43 2.47 -1.32 -0.88 114.38 114.46 3fll h ARG 139 Ca -0.30 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 57.77 3fll h ARG 139 Cb 1.19 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.26 3fll h ARG 139 CO 0.40 0.07 -0.68 1.21 0.56 0.00 0.00 179.97 181.54 3fll s ASN 140 N -5.83 4.67 0.65 7.04 3.84 -1.26 -4.83 114.94 119.22 3fll s ASN 140 Ca -0.00 -0.28 0.40 0.00 0.21 0.00 0.00 52.86 53.19 3fll s ASN 140 Cb 0.10 -1.81 2.25 0.00 -0.55 0.00 0.00 41.25 41.24 3fll s ASN 140 CO 0.56 0.01 2.32 0.07 -2.79 0.00 0.00 177.10 177.27 3fll h LYS 141 N 7.88 0.00 -0.12 0.43 2.10 -1.94 -2.52 116.57 122.40 3fll h LYS 141 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 3fll h LYS 141 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3fll h LYS 141 CO 0.60 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.80 3fll n ASP 142 N -3.25 2.79 -4.68 7.07 8.00 -1.26 -4.92 116.55 120.30 3fll n ASP 142 Ca -0.03 -1.85 -0.42 0.00 0.71 0.00 0.00 54.79 53.20 3fll n ASP 142 Cb 0.10 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 3fll n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fll s ALA 143 N -1.53 3.55 0.37 2.24 0.00 -0.95 -5.00 121.76 120.44 3fll s ALA 143 Ca 0.26 0.66 -0.27 0.00 0.00 0.00 0.00 51.96 52.60 3fll s ALA 143 Cb 0.17 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 3fll s ALA 143 CO 0.25 -0.89 1.33 0.00 0.00 0.00 0.00 175.76 176.45 3fll s ALA 144 N 2.55 3.41 0.04 0.00 0.00 -1.26 -4.93 121.76 121.58 3fll s ALA 144 Ca 0.58 1.30 -0.33 0.00 0.00 0.00 0.00 51.96 53.51 3fll s ALA 144 Cb -0.26 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.25 3fll s ALA 144 CO 0.22 -0.78 1.82 0.00 0.00 0.00 0.00 175.76 177.02 3fll n ALA 145 N 0.46 1.48 -2.43 0.00 0.00 -1.26 -4.97 120.51 113.79 3fll n ALA 145 Ca 0.02 0.31 -0.23 0.00 0.00 0.00 0.00 53.44 53.54 3fll n ALA 145 Cb 0.42 -2.53 0.15 0.00 0.00 0.00 0.00 19.45 17.49 3fll n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fll n GLY 146 N 4.18 0.05 0.24 0.00 0.00 -1.26 -4.88 105.19 103.53 3fll n GLY 146 Ca 0.20 -1.94 -0.02 0.00 0.00 0.00 0.00 46.02 44.26 3fll n GLY 146 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fll h ASP 147 N -0.93 0.42 -0.03 1.61 3.32 -1.98 -1.60 116.42 117.23 3fll h ASP 147 Ca -0.36 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 3fll h ASP 147 Cb 1.23 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 3fll h ASP 147 CO 0.35 0.63 0.01 0.11 -1.72 0.00 0.00 179.24 178.61 3fll h LYS 148 N 0.39 0.05 -0.04 3.56 1.57 -1.99 -0.67 116.57 119.43 3fll h LYS 148 Ca 0.07 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.67 3fll h LYS 148 Cb 0.56 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3fll h LYS 148 CO 0.04 0.28 -0.71 -0.24 -0.57 0.00 0.00 179.45 178.25 3fll h VAL 149 N -0.19 1.43 -0.42 0.50 3.04 -1.92 -2.19 116.25 116.49 3fll h VAL 149 Ca 0.01 -2.22 -0.10 0.00 -1.01 0.00 0.00 66.70 63.38 3fll h VAL 149 Cb 0.25 2.17 -0.02 0.00 -2.01 0.00 0.00 31.29 31.69 3fll h VAL 149 CO 0.00 0.65 -0.15 0.11 -1.01 0.00 0.00 177.57 177.18 3fll h LYS 150 N 0.16 0.78 -0.39 4.17 1.57 -1.22 -0.61 116.57 121.02 3fll h LYS 150 Ca -0.02 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.41 3fll h LYS 150 Cb 1.26 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 3fll h LYS 150 CO 0.11 0.88 -0.06 0.77 -0.57 0.00 0.00 179.45 180.58 3fll h SER 151 N 0.70 0.63 -0.15 0.86 0.02 -1.00 -1.84 113.55 112.77 3fll h SER 151 Ca 0.11 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 3fll h SER 151 Cb 0.64 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 3fll h SER 151 CO 0.04 0.74 -0.14 0.00 -1.14 0.00 0.00 176.83 176.34 3fll h ALA 152 N 1.33 1.19 -0.33 3.77 0.00 -0.70 0.18 119.26 124.70 3fll h ALA 152 Ca 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3fll h ALA 152 Cb 0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3fll h ALA 152 CO 0.02 0.52 0.16 0.28 0.00 0.00 0.00 179.25 180.23 3fll h VAL 153 N 0.49 1.16 -0.52 0.00 2.07 -0.60 -1.19 116.25 117.65 3fll h VAL 153 Ca 0.09 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.17 3fll h VAL 153 Cb 0.53 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 3fll h VAL 153 CO 0.03 0.17 0.33 -1.28 0.02 0.00 0.00 177.57 176.84 3fll h SER 154 N 0.39 0.54 0.40 0.57 0.87 -0.66 -2.05 113.55 113.62 3fll h SER 154 Ca 0.11 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3fll h SER 154 Cb 0.12 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3fll h SER 154 CO -0.01 0.38 -0.04 0.00 -0.53 0.00 0.00 176.83 176.63 3fll h ALA 155 N 1.22 1.11 -0.18 6.23 0.00 -0.32 0.16 119.26 127.48 3fll h ALA 155 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3fll h ALA 155 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3fll h ALA 155 CO -0.08 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.22 3fll n ALA 156 N -2.15 2.50 -3.62 0.00 0.00 -0.48 -4.91 120.51 111.86 3fll n ALA 156 Ca -0.02 -0.40 -0.23 0.00 0.00 0.00 0.00 53.44 52.79 3fll n ALA 156 Cb 0.19 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 18.65 3fll n ALA 156 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3fll n THR 157 N 0.07 -3.46 -4.43 0.00 -1.04 0.56 -5.03 114.28 100.96 3fll n THR 157 Ca 0.11 -0.11 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 3fll n THR 157 Cb 0.22 -4.01 -0.09 0.00 -1.82 0.00 0.00 70.33 64.62 3fll n THR 157 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3fll s LEU 158 N -7.12 2.80 -0.28 -4.42 1.43 -0.82 -5.04 118.68 105.22 3fll s LEU 158 Ca 0.47 -0.99 -0.06 0.00 -1.03 0.00 0.00 54.13 52.52 3fll s LEU 158 Cb -0.21 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.79 3fll s LEU 158 CO 0.75 -0.07 0.05 -0.70 0.23 0.00 0.00 176.35 176.60 3fll s GLU 159 N -3.60 3.04 0.49 1.70 2.56 -1.26 -3.83 118.70 117.79 3fll s GLU 159 Ca 0.32 -0.88 0.17 0.00 0.00 0.00 0.00 54.97 54.58 3fll s GLU 159 Cb -0.03 -3.28 1.20 0.00 2.00 0.00 0.00 34.13 34.02 3fll s GLU 159 CO 0.17 -0.43 2.05 0.35 -0.56 0.00 0.00 175.26 176.84 3fll h PHE 160 N 8.18 0.18 -0.13 5.30 3.57 -1.91 -0.92 116.94 131.21 3fll h PHE 160 Ca -0.32 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.22 3fll h PHE 160 Cb 1.12 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 3fll h PHE 160 CO 0.61 0.09 0.20 0.66 -2.23 0.00 0.00 178.31 177.64 3fll h SER 161 N 0.17 0.00 1.18 0.41 4.64 -2.01 -1.26 113.55 116.67 3fll h SER 161 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3fll h SER 161 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3fll h SER 161 CO -0.03 0.00 -0.47 0.11 -0.87 0.00 0.00 176.83 175.57 3fll h LYS 162 N 0.00 0.00 -6.92 4.77 1.79 -1.59 -3.46 116.57 111.16 3fll h LYS 162 Ca 0.06 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.01 3fll h LYS 162 Cb 0.46 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.18 3fll h LYS 162 CO -0.00 0.00 0.58 -0.06 -1.08 0.00 0.00 179.45 178.88 3fll s PHE 163 N -3.19 3.01 -0.20 -1.35 0.40 -0.48 -4.88 117.98 111.29 3fll s PHE 163 Ca 0.06 1.48 -0.12 0.00 -0.60 0.00 0.00 56.93 57.74 3fll s PHE 163 Cb 0.11 -3.56 -0.05 0.00 0.51 0.00 0.00 43.02 40.04 3fll s PHE 163 CO 0.70 -1.68 0.24 0.42 0.70 0.00 0.00 175.22 175.60 3fll s ILE 164 N -1.27 5.32 0.31 0.64 1.01 0.62 -4.85 121.20 122.98 3fll s ILE 164 Ca 0.54 0.40 -0.22 0.00 0.00 0.00 0.00 60.65 61.38 3fll s ILE 164 Cb -0.36 -3.58 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 3fll s ILE 164 CO 0.46 0.36 0.85 -0.55 0.00 0.00 0.00 174.94 176.06 3fll s SER 165 N 0.70 7.10 0.00 3.58 0.15 -1.26 -1.25 113.70 122.72 3fll s SER 165 Ca 0.13 1.60 0.25 0.00 0.70 0.00 0.00 55.95 58.63 3fll s SER 165 Cb -0.13 -2.49 0.39 0.00 -1.71 0.00 0.00 66.02 62.08 3fll s SER 165 CO 0.03 -0.11 1.37 0.35 1.20 0.00 0.00 173.24 176.09 3fll n THR 166 N 0.28 0.00 0.29 6.45 -2.24 -0.35 -4.66 114.28 114.05 3fll n THR 166 Ca 0.02 -0.43 0.17 0.00 -2.27 0.00 0.00 64.05 61.54 3fll n THR 166 Cb 0.51 1.24 0.65 0.00 -2.10 0.00 0.00 70.33 70.64 3fll n THR 166 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3fll h LYS 167 N 4.04 0.00 -0.34 -0.78 2.10 -1.91 -2.83 116.57 116.85 3fll h LYS 167 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fll h LYS 167 Cb 0.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 3fll h LYS 167 CO 0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 3fll n GLU 168 N -3.02 2.19 -0.27 0.07 4.71 -1.26 -4.37 120.64 118.68 3fll n GLU 168 Ca 0.01 -1.80 0.10 0.00 -0.01 0.00 0.00 57.16 55.46 3fll n GLU 168 Cb 0.31 -1.45 0.27 0.00 -1.01 0.00 0.00 31.44 29.56 3fll n GLU 168 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3fll n ASN 169 N 1.00 3.16 -2.95 1.62 5.03 -1.07 -4.94 115.26 117.12 3fll n ASN 169 Ca 0.18 -1.98 -0.21 0.00 0.87 0.00 0.00 54.58 53.45 3fll n ASN 169 Cb 0.48 -0.35 0.01 0.00 -1.02 0.00 0.00 39.78 38.90 3fll n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3fll n ASN 170 N 1.24 -5.02 -4.71 6.41 4.13 -1.26 -4.88 115.26 111.17 3fll n ASN 170 Ca 0.20 -0.20 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 3fll n ASN 170 Cb 0.51 -4.12 -0.03 0.00 -1.54 0.00 0.00 39.78 34.60 3fll n ASN 170 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3fll s ALA 172 N 1.60 2.16 0.10 0.00 0.00 -1.26 -5.14 121.76 119.22 3fll s ALA 172 Ca 0.74 -1.06 0.10 0.00 0.00 0.00 0.00 51.96 51.74 3fll s ALA 172 Cb -0.46 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 3fll s ALA 172 CO 0.32 0.44 -0.26 0.71 0.00 0.00 0.00 175.76 176.97 3fll s TYR 173 N -0.27 2.28 -0.98 0.00 2.02 -1.26 -5.07 117.35 114.07 3fll s TYR 173 Ca -0.00 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.17 3fll s TYR 173 Cb -0.13 -1.27 0.22 0.00 -0.40 0.00 0.00 41.96 40.38 3fll s TYR 173 CO 0.03 0.27 1.02 0.34 -1.57 0.00 0.00 175.55 175.64 3fll s ASP 174 N -1.80 6.96 0.42 2.29 -1.08 -1.26 -4.89 116.67 117.31 3fll s ASP 174 Ca 0.13 -2.91 0.09 0.00 -0.52 0.00 0.00 52.55 49.34 3fll s ASP 174 Cb -0.10 -2.27 0.90 0.00 -1.46 0.00 0.00 42.92 40.00 3fll s ASP 174 CO 0.05 -0.59 2.05 0.78 0.52 0.00 0.00 175.17 177.97 3fll h ASN 175 N 7.53 0.44 -0.43 -0.34 -0.26 -2.00 -2.56 115.58 117.95 3fll h ASN 175 Ca 0.17 -0.01 -0.07 0.00 -0.56 0.00 0.00 56.30 55.83 3fll h ASN 175 Cb 0.96 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 38.10 3fll h ASN 175 CO 0.96 0.31 0.01 0.44 -1.06 0.00 0.00 177.43 178.09 3fll h ASP 176 N 0.52 0.74 -0.57 5.81 3.32 -2.00 -1.65 116.42 122.58 3fll h ASP 176 Ca 0.17 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 3fll h ASP 176 Cb 0.06 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3fll h ASP 176 CO -0.04 0.86 0.16 0.28 -1.72 0.00 0.00 179.24 178.77 3fll h SER 177 N 0.60 0.85 -0.61 6.45 0.02 -1.80 -1.43 113.55 117.63 3fll h SER 177 Ca 0.12 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3fll h SER 177 Cb 0.47 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 3fll h SER 177 CO 0.02 0.85 0.39 -0.07 -1.14 0.00 0.00 176.83 176.88 3fll h LEU 178 N 0.81 0.67 -0.52 5.07 3.38 -1.21 -0.59 115.31 122.92 3fll h LEU 178 Ca 0.18 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3fll h LEU 178 Cb 0.31 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3fll h LEU 178 CO -0.00 0.48 0.19 0.11 0.09 0.00 0.00 178.44 179.31 3fll h LYS 179 N 0.79 0.78 0.00 1.13 1.57 -1.14 -3.08 116.57 116.63 3fll h LYS 179 Ca 0.23 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 3fll h LYS 179 Cb -0.06 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 3fll h LYS 179 CO -0.06 0.70 -0.51 0.66 -0.57 0.00 0.00 179.45 179.67 3fll h SER 180 N 0.70 0.00 0.07 0.86 4.64 -0.88 -2.86 113.55 116.07 3fll h SER 180 Ca 0.17 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 3fll h SER 180 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3fll h SER 180 CO -0.01 0.51 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.37 3fll h LEU 181 N 0.00 0.00 -2.01 5.97 3.38 -1.02 -2.34 115.31 119.28 3fll h LEU 181 Ca -0.01 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.11 3fll h LEU 181 Cb 0.97 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3fll h LEU 181 CO 0.07 0.03 0.41 -0.07 0.09 0.00 0.00 178.44 178.96 3fll h LEU 182 N 0.00 0.00 -0.34 1.67 3.38 -1.52 -1.18 115.31 117.32 3fll h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fll h LEU 182 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3fll h LEU 182 CO 0.00 0.00 -0.20 0.35 0.09 0.00 0.00 178.44 178.68 3fll n THR 183 N -4.17 0.00 1.04 0.22 -2.24 -0.88 -4.70 114.28 103.55 3fll n THR 183 Ca 0.09 -0.09 0.12 0.00 -2.27 0.00 0.00 64.05 61.91 3fll n THR 183 Cb 0.63 0.15 0.14 0.00 -2.10 0.00 0.00 70.33 69.14 3fll n THR 183 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79