#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6i s LEU 2 N 0.00 4.55 0.08 -3.43 1.43 -1.26 -2.69 118.68 117.36 3f6i s LEU 2 Ca 0.00 2.27 -0.06 0.00 -1.03 0.00 0.00 54.13 55.31 3f6i s LEU 2 Cb 0.00 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 3f6i s LEU 2 CO 0.00 -0.14 0.11 0.00 0.23 0.00 0.00 176.35 176.55 3f6i s ALA 3 N -1.17 0.07 0.21 4.21 0.00 0.12 -4.95 121.76 120.24 3f6i s ALA 3 Ca 0.44 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.61 3f6i s ALA 3 Cb -0.32 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 3f6i s ALA 3 CO 0.41 -0.46 -0.11 0.14 0.00 0.00 0.00 175.76 175.74 3f6i s VAL 4 N -3.89 1.53 0.33 0.00 -7.23 -1.26 0.34 120.40 110.22 3f6i s VAL 4 Ca 0.06 -2.15 0.05 0.00 -1.81 0.00 0.00 61.98 58.13 3f6i s VAL 4 Cb 0.06 -2.09 0.14 0.00 0.56 0.00 0.00 36.38 35.05 3f6i s VAL 4 CO -0.10 -0.56 1.85 -2.24 -0.31 0.00 0.00 175.10 173.74 3f6i h ASP 5 N 2.56 0.45 -1.80 4.85 2.03 -1.99 -3.45 116.42 119.07 3f6i h ASP 5 Ca -0.38 -0.10 -0.61 0.00 -0.73 0.00 0.00 57.03 55.21 3f6i h ASP 5 Cb 1.22 -0.12 -0.13 0.00 -0.83 0.00 0.00 39.33 39.47 3f6i h ASP 5 CO 0.63 0.57 -0.59 -1.10 -1.03 0.00 0.00 179.24 177.72 3f6i s GLN 6 N -4.85 1.94 0.00 4.15 -0.21 -1.26 -5.04 119.66 114.39 3f6i s GLN 6 Ca -0.07 -2.12 0.19 0.00 0.02 0.00 0.00 55.36 53.38 3f6i s GLN 6 Cb 0.15 -1.47 0.14 0.00 1.00 0.00 0.00 33.01 32.83 3f6i s GLN 6 CO 0.76 -0.12 1.10 0.25 -2.12 0.00 0.00 175.29 175.16 3f6i n THR 7 N -0.96 0.00 -3.52 -0.19 -2.24 -1.26 -4.96 114.28 101.15 3f6i n THR 7 Ca -0.06 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.10 3f6i n THR 7 Cb 0.67 1.39 -0.04 0.00 -2.10 0.00 0.00 70.33 70.25 3f6i n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f6i s ARG 8 N -1.60 0.89 0.02 -0.78 1.70 -1.26 -4.19 118.95 113.72 3f6i s ARG 8 Ca 0.22 -0.00 0.02 0.00 -0.47 0.00 0.00 55.73 55.49 3f6i s ARG 8 Cb 0.16 0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.94 3f6i s ARG 8 CO 0.25 -0.32 -0.06 0.71 -1.08 0.00 0.00 175.30 174.79 3f6i s TYR 9 N -1.96 0.56 -0.24 5.89 2.02 -0.60 -5.01 117.35 118.00 3f6i s TYR 9 Ca -0.03 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 3f6i s TYR 9 Cb -0.01 -0.35 0.05 0.00 -0.40 0.00 0.00 41.96 41.26 3f6i s TYR 9 CO -0.00 -0.05 -0.12 0.42 -1.57 0.00 0.00 175.55 174.23 3f6i s ILE 10 N -0.76 2.28 -0.58 2.71 1.01 -1.26 -0.08 121.20 124.52 3f6i s ILE 10 Ca -0.04 -1.40 -0.23 0.00 0.00 0.00 0.00 60.65 58.98 3f6i s ILE 10 Cb -0.06 -2.24 0.05 0.00 0.01 0.00 0.00 42.46 40.22 3f6i s ILE 10 CO 0.00 0.11 0.91 0.12 0.00 0.00 0.00 174.94 176.09 3f6i s PHE 11 N 1.18 2.78 -0.05 3.97 2.19 0.97 -4.97 117.98 124.05 3f6i s PHE 11 Ca -0.05 -0.27 -0.30 0.00 0.33 0.00 0.00 56.93 56.65 3f6i s PHE 11 Cb -0.18 -4.09 -0.03 0.00 -1.31 0.00 0.00 43.02 37.41 3f6i s PHE 11 CO -0.06 -1.42 1.06 1.03 1.83 0.00 0.00 175.22 177.65 3f6i s ARG 12 N 3.84 4.45 0.26 10.12 0.52 -1.26 -0.54 118.95 136.34 3f6i s ARG 12 Ca 0.26 1.49 0.15 0.00 -0.52 0.00 0.00 55.73 57.11 3f6i s ARG 12 Cb -0.15 -3.50 0.81 0.00 0.52 0.00 0.00 34.95 32.63 3f6i s ARG 12 CO 0.15 -0.25 1.41 0.41 0.02 0.00 0.00 175.30 177.04 3f6i n GLY 13 N 3.10 -0.71 0.30 -3.53 0.00 0.29 -0.73 105.19 103.92 3f6i n GLY 13 Ca 0.08 0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.38 3f6i n GLY 13 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f6i n ASP 14 N -2.03 1.02 -4.87 1.61 5.68 -1.26 -4.72 116.55 111.98 3f6i n ASP 14 Ca -0.01 -1.15 -0.32 0.00 -0.50 0.00 0.00 54.79 52.81 3f6i n ASP 14 Cb 0.12 0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.06 3f6i n ASP 14 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3f6i s GLU 15 N -2.18 3.83 -0.06 0.11 0.41 0.09 -5.01 118.70 115.90 3f6i s GLU 15 Ca 0.35 0.32 -0.26 0.00 -0.41 0.00 0.00 54.97 54.97 3f6i s GLU 15 Cb 0.21 -2.64 -0.22 0.00 -1.78 0.00 0.00 34.13 29.69 3f6i s GLU 15 CO 0.40 0.31 1.07 -0.44 -0.49 0.00 0.00 175.26 176.11 3f6i h ASP 16 N 2.58 0.10 -5.11 -0.19 3.32 -1.90 -3.48 116.42 111.74 3f6i h ASP 16 Ca -0.47 -0.71 -0.09 0.00 0.02 0.00 0.00 57.03 55.78 3f6i h ASP 16 Cb 1.17 -0.03 -0.15 0.00 0.22 0.00 0.00 39.33 40.54 3f6i h ASP 16 CO 0.69 0.79 -0.35 0.00 -1.72 0.00 0.00 179.24 178.65 3f6i s ALA 17 N -3.38 -0.37 -0.29 3.45 0.00 -1.26 -4.73 121.76 115.18 3f6i s ALA 17 Ca -0.17 -0.40 -0.10 0.00 0.00 0.00 0.00 51.96 51.30 3f6i s ALA 17 Cb 0.00 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 3f6i s ALA 17 CO 0.71 -0.45 0.15 -1.17 0.00 0.00 0.00 175.76 174.99 3f6i s LEU 18 N -2.50 3.95 -0.26 0.00 0.20 -0.02 -4.89 118.68 115.17 3f6i s LEU 18 Ca 0.00 -0.31 -0.16 0.00 0.69 0.00 0.00 54.13 54.35 3f6i s LEU 18 Cb 0.02 -2.02 -0.03 0.00 -0.43 0.00 0.00 46.19 43.72 3f6i s LEU 18 CO -0.08 -0.12 0.44 -0.89 -0.29 0.00 0.00 176.35 175.41 3f6i s THR 19 N 1.66 5.13 0.12 3.68 2.01 -1.26 -0.57 115.64 126.41 3f6i s THR 19 Ca 0.06 0.71 0.06 0.00 0.31 0.00 0.00 61.69 62.83 3f6i s THR 19 Cb -0.16 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 3f6i s THR 19 CO 0.07 0.13 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.45 3f6i s ILE 20 N 2.17 3.66 -0.19 1.82 1.01 -0.48 -4.95 121.20 124.24 3f6i s ILE 20 Ca 0.18 -1.21 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 3f6i s ILE 20 Cb -0.16 -2.75 0.05 0.00 0.01 0.00 0.00 42.46 39.61 3f6i s ILE 20 CO 0.10 0.06 -0.06 0.28 0.00 0.00 0.00 174.94 175.32 3f6i s THR 21 N -1.36 1.28 -0.09 2.92 -1.32 -1.26 -0.54 115.64 115.27 3f6i s THR 21 Ca 0.24 -0.82 -0.12 0.00 -1.21 0.00 0.00 61.69 59.78 3f6i s THR 21 Cb -0.11 -1.47 -0.05 0.00 -1.51 0.00 0.00 72.50 69.37 3f6i s THR 21 CO 0.16 0.08 0.29 0.54 -2.21 0.00 0.00 174.62 173.49 3f6i s VAL 22 N 1.55 5.26 0.21 5.08 0.11 -0.10 -3.58 120.40 128.92 3f6i s VAL 22 Ca -0.01 0.56 0.09 0.00 -2.93 0.00 0.00 61.98 59.70 3f6i s VAL 22 Cb -0.16 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 3f6i s VAL 22 CO -0.08 0.52 -0.10 0.42 -3.33 0.00 0.00 175.10 172.54 3f6i s THR 23 N -0.51 3.10 -0.30 5.04 -4.23 0.15 -1.39 115.64 117.50 3f6i s THR 23 Ca 0.19 -1.80 -0.08 0.00 -1.18 0.00 0.00 61.69 58.81 3f6i s THR 23 Cb -0.14 -2.57 -0.00 0.00 1.34 0.00 0.00 72.50 71.13 3f6i s THR 23 CO 0.07 -0.19 0.11 0.21 -0.54 0.00 0.00 174.62 174.29 3f6i s ASN 24 N -3.03 5.33 0.00 3.99 3.84 -0.89 -0.70 114.94 123.48 3f6i s ASN 24 Ca 0.26 -0.56 0.21 0.00 0.21 0.00 0.00 52.86 52.98 3f6i s ASN 24 Cb -0.08 -1.94 0.54 0.00 -0.55 0.00 0.00 41.25 39.22 3f6i s ASN 24 CO 0.16 -0.18 1.46 -0.46 -2.79 0.00 0.00 177.10 175.29 3f6i n ASN 25 N 4.93 3.30 0.21 -4.21 0.23 -1.10 -2.03 115.26 116.60 3f6i n ASN 25 Ca -0.14 -1.98 -0.14 0.00 -0.53 0.00 0.00 54.58 51.79 3f6i n ASN 25 Cb 0.49 -0.35 -0.08 0.00 -2.08 0.00 0.00 39.78 37.76 3f6i n ASN 25 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3f6i h ASP 26 N 3.83 -0.46 0.00 0.53 3.32 -1.84 -3.44 116.42 118.37 3f6i h ASP 26 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3f6i h ASP 26 Cb 0.86 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3f6i h ASP 26 CO 0.00 -0.15 0.00 0.29 -1.72 0.00 0.00 179.24 177.66 3f6i n LYS 27 N -5.23 0.00 -0.05 3.56 5.02 -1.26 -4.73 118.16 115.47 3f6i n LYS 27 Ca -0.10 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.08 3f6i n LYS 27 Cb 0.28 -0.29 -0.04 0.00 -0.02 0.00 0.00 35.03 34.96 3f6i n LYS 27 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3f6i n GLU 28 N -1.17 0.22 -4.22 1.97 0.28 -1.26 -4.78 120.64 111.68 3f6i n GLU 28 Ca 0.00 0.10 -0.35 0.00 -0.16 0.00 0.00 57.16 56.74 3f6i n GLU 28 Cb 0.00 -0.87 -0.08 0.00 1.43 0.00 0.00 31.44 31.91 3f6i n GLU 28 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 3f6i s ARG 29 N -2.20 3.10 0.08 3.44 1.70 -1.26 -4.81 118.95 119.00 3f6i s ARG 29 Ca -0.14 -0.34 -0.20 0.00 -0.47 0.00 0.00 55.73 54.58 3f6i s ARG 29 Cb 0.05 -2.90 -0.07 0.00 -0.57 0.00 0.00 34.95 31.47 3f6i s ARG 29 CO 0.18 0.72 0.58 0.95 -1.08 0.00 0.00 175.30 176.65 3f6i s THR 30 N -0.95 4.72 0.15 4.99 -4.23 -1.26 -4.14 115.64 114.92 3f6i s THR 30 Ca 0.15 1.24 0.05 0.00 -1.18 0.00 0.00 61.69 61.95 3f6i s THR 30 Cb -0.12 -3.91 -0.04 0.00 1.34 0.00 0.00 72.50 69.78 3f6i s THR 30 CO 0.04 0.55 0.09 -0.36 -0.54 0.00 0.00 174.62 174.40 3f6i s PHE 31 N -1.11 3.08 0.46 3.99 0.40 -0.04 -4.22 117.98 120.54 3f6i s PHE 31 Ca 0.29 -0.03 -0.00 0.00 -0.60 0.00 0.00 56.93 56.59 3f6i s PHE 31 Cb -0.20 -1.50 -0.00 0.00 0.51 0.00 0.00 43.02 41.83 3f6i s PHE 31 CO 0.19 0.52 0.69 0.20 0.70 0.00 0.00 175.22 177.52 3f6i s GLY 32 N -2.93 1.57 -0.04 4.36 0.00 0.73 -0.23 107.32 110.79 3f6i s GLY 32 Ca 0.30 -1.01 -0.18 0.00 0.00 0.00 0.00 44.72 43.83 3f6i s GLY 32 CO 0.22 -0.83 0.39 -0.32 0.00 0.00 0.00 173.10 172.56 3f6i s GLY 33 N -4.22 -0.25 -0.01 0.20 0.00 0.13 0.61 107.32 103.77 3f6i s GLY 33 Ca 0.49 0.60 -0.00 0.00 0.00 0.00 0.00 44.72 45.81 3f6i s GLY 33 CO 0.39 0.38 0.02 1.20 0.00 0.00 0.00 173.10 175.08 3f6i s GLN 34 N -1.11 -0.02 0.00 2.90 -0.21 0.70 -1.81 119.66 120.11 3f6i s GLN 34 Ca -0.11 0.12 0.04 0.00 0.02 0.00 0.00 55.36 55.43 3f6i s GLN 34 Cb -0.04 -0.15 -0.01 0.00 1.00 0.00 0.00 33.01 33.80 3f6i s GLN 34 CO 0.05 -0.11 -0.12 0.00 -2.12 0.00 0.00 175.29 172.99 3f6i s ALA 35 N 0.68 1.02 0.16 6.09 0.00 -0.71 0.33 121.76 129.33 3f6i s ALA 35 Ca -0.06 -0.59 -0.25 0.00 0.00 0.00 0.00 51.96 51.07 3f6i s ALA 35 Cb -0.08 -0.23 0.06 0.00 0.00 0.00 0.00 23.12 22.87 3f6i s ALA 35 CO -0.02 0.23 0.95 1.67 0.00 0.00 0.00 175.76 178.59 3f6i s TRP 36 N -0.43 -0.12 -0.08 0.00 -2.14 -1.01 -4.67 118.94 110.50 3f6i s TRP 36 Ca 0.04 -0.20 0.01 0.00 2.66 0.00 0.00 56.10 58.61 3f6i s TRP 36 Cb -0.05 0.65 0.02 0.00 -3.10 0.00 0.00 33.47 30.98 3f6i s TRP 36 CO -0.00 -0.86 -0.11 0.08 -2.66 0.00 0.00 176.95 173.40 3f6i s VAL 37 N -3.26 1.09 0.33 -0.66 1.01 -1.26 -0.49 120.40 117.15 3f6i s VAL 37 Ca 0.13 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.77 3f6i s VAL 37 Cb -0.02 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3f6i s VAL 37 CO 0.03 0.35 0.18 -1.81 0.00 0.00 0.00 175.10 173.86 3f6i s ASP 38 N 0.96 4.91 0.91 3.32 1.01 0.24 -4.75 116.67 123.27 3f6i s ASP 38 Ca -0.09 -0.65 -0.15 0.00 0.71 0.00 0.00 52.55 52.37 3f6i s ASP 38 Cb -0.15 -0.84 0.16 0.00 1.01 0.00 0.00 42.92 43.09 3f6i s ASP 38 CO 0.00 -0.29 1.27 0.20 0.21 0.00 0.00 175.17 176.56 3f6i s ASN 39 N -3.88 3.58 0.09 0.27 -0.87 -1.26 -0.36 114.94 112.50 3f6i s ASN 39 Ca 0.38 0.47 0.15 0.00 -1.57 0.00 0.00 52.86 52.29 3f6i s ASN 39 Cb -0.04 -0.68 0.64 0.00 -0.02 0.00 0.00 41.25 41.15 3f6i s ASN 39 CO 0.24 -2.46 1.46 -0.38 -2.57 0.00 0.00 177.10 173.39 3f6i n ILE 40 N -3.63 1.14 -4.53 0.60 2.08 -1.26 -4.50 119.36 109.26 3f6i n ILE 40 Ca 0.12 0.33 -0.25 0.00 0.56 0.00 0.00 62.75 63.51 3f6i n ILE 40 Cb 0.60 -1.19 -0.11 0.00 -0.75 0.00 0.00 39.64 38.20 3f6i n ILE 40 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 3f6i s THR 45 N -3.12 1.85 0.00 1.39 -1.32 -1.26 -5.05 115.64 108.13 3f6i s THR 45 Ca 0.04 -2.08 0.00 0.00 -1.21 0.00 0.00 61.69 58.45 3f6i s THR 45 Cb 0.08 -2.76 0.00 0.00 -1.51 0.00 0.00 72.50 68.30 3f6i s THR 45 CO 0.24 -0.11 0.00 0.54 -2.21 0.00 0.00 174.62 173.08 3f6i n ARG 46 N -0.80 0.00 -2.29 7.08 3.00 -1.26 -5.05 116.66 117.34 3f6i n ARG 46 Ca -0.05 0.00 -0.37 0.00 -0.01 0.00 0.00 57.85 57.42 3f6i n ARG 46 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.10 3f6i n ARG 46 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3f6i s PRO 47 N -3.37 3.83 0.00 5.56 0.02 -1.26 -4.88 135.00 134.91 3f6i s PRO 47 Ca 0.00 1.75 0.00 0.00 0.02 0.00 0.00 61.00 62.77 3f6i s PRO 47 Cb 0.00 -2.44 0.00 0.00 0.02 0.00 0.00 34.50 32.08 3f6i s PRO 47 CO 0.00 -0.49 0.00 0.25 -0.33 0.00 0.00 177.00 176.43 3f6i n THR 48 N -0.39 0.00 -4.37 0.99 -2.24 -1.26 -4.59 114.28 102.41 3f6i n THR 48 Ca 0.07 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.66 3f6i n THR 48 Cb 0.48 -0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 68.25 3f6i n THR 48 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3f6i s PHE 49 N -0.79 1.74 -0.02 4.78 0.40 -1.26 0.57 117.98 123.40 3f6i s PHE 49 Ca 0.00 -0.76 0.01 0.00 -0.60 0.00 0.00 56.93 55.59 3f6i s PHE 49 Cb 0.00 -0.97 0.01 0.00 0.51 0.00 0.00 43.02 42.57 3f6i s PHE 49 CO 0.00 0.18 -0.04 0.08 0.70 0.00 0.00 175.22 176.14 3f6i s VAL 50 N -3.16 0.37 -0.16 -0.44 1.01 0.54 -4.50 120.40 114.05 3f6i s VAL 50 Ca 0.27 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 3f6i s VAL 50 Cb 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 3f6i s VAL 50 CO 0.09 0.14 -0.04 -0.69 0.00 0.00 0.00 175.10 174.60 3f6i s VAL 51 N 0.31 3.86 -0.07 2.92 1.01 -1.26 -0.78 120.40 126.39 3f6i s VAL 51 Ca -0.03 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.62 3f6i s VAL 51 Cb -0.07 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.62 3f6i s VAL 51 CO -0.00 0.49 -0.19 0.42 0.00 0.00 0.00 175.10 175.81 3f6i s THR 52 N 0.46 1.63 0.45 3.92 -4.23 -0.40 -2.55 115.64 114.92 3f6i s THR 52 Ca -0.03 -0.79 -0.22 0.00 -1.18 0.00 0.00 61.69 59.46 3f6i s THR 52 Cb -0.14 -1.42 -0.08 0.00 1.34 0.00 0.00 72.50 72.20 3f6i s THR 52 CO 0.03 0.46 1.08 -2.16 -0.54 0.00 0.00 174.62 173.49 3f6i s PRO 53 N 0.29 3.91 0.03 3.99 0.04 -1.26 -0.80 135.00 141.20 3f6i s PRO 53 Ca -0.12 1.54 -0.21 0.00 0.04 0.00 0.00 61.00 62.25 3f6i s PRO 53 Cb -0.15 -2.35 -0.15 0.00 0.04 0.00 0.00 34.50 31.89 3f6i s PRO 53 CO 0.05 -0.37 1.32 0.77 0.04 0.00 0.00 177.00 178.81 3f6i h SER 54 N 2.05 0.36 -2.62 6.66 0.02 -1.77 -3.43 113.55 114.81 3f6i h SER 54 Ca -0.49 -0.50 -0.58 0.00 -0.84 0.00 0.00 61.79 59.38 3f6i h SER 54 Cb 1.23 -0.10 -0.10 0.00 0.14 0.00 0.00 62.40 63.57 3f6i h SER 54 CO 0.60 0.79 -0.64 -0.36 -1.14 0.00 0.00 176.83 176.08 3f6i s PHE 55 N -4.22 2.82 -0.07 3.45 0.40 -1.26 -1.74 117.98 117.35 3f6i s PHE 55 Ca -0.14 -0.16 -0.32 0.00 -0.60 0.00 0.00 56.93 55.71 3f6i s PHE 55 Cb 0.05 -1.32 0.13 0.00 0.51 0.00 0.00 43.02 42.39 3f6i s PHE 55 CO 0.75 0.55 1.39 -0.59 0.70 0.00 0.00 175.22 178.01 3f6i s PHE 56 N -1.94 -0.01 0.02 0.36 -0.12 -0.75 -4.99 117.98 110.55 3f6i s PHE 56 Ca 0.29 -0.03 0.02 0.00 -0.05 0.00 0.00 56.93 57.16 3f6i s PHE 56 Cb -0.08 0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 42.81 3f6i s PHE 56 CO 0.19 -0.10 -0.06 0.15 -0.05 0.00 0.00 175.22 175.35 3f6i s LYS 57 N -2.13 0.45 -0.12 1.99 3.01 -1.26 0.19 119.74 121.87 3f6i s LYS 57 Ca 0.17 -0.45 -0.00 0.00 -1.01 0.00 0.00 55.97 54.68 3f6i s LYS 57 Cb 0.06 -0.32 0.02 0.00 -1.01 0.00 0.00 37.83 36.58 3f6i s LYS 57 CO -0.05 0.07 -0.10 0.08 0.51 0.00 0.00 175.35 175.86 3f6i s VAL 58 N -0.73 1.20 0.79 3.17 1.01 0.69 -4.98 120.40 121.54 3f6i s VAL 58 Ca -0.04 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 3f6i s VAL 58 Cb -0.06 -1.18 0.07 0.00 0.00 0.00 0.00 36.38 35.21 3f6i s VAL 58 CO 0.00 0.40 1.14 -1.59 0.00 0.00 0.00 175.10 175.05 3f6i s LYS 59 N 1.63 1.93 0.29 2.72 0.00 -1.26 -0.86 119.74 124.19 3f6i s LYS 59 Ca 0.05 1.48 -0.30 0.00 0.00 0.00 0.00 55.97 57.20 3f6i s LYS 59 Cb -0.13 -1.84 -0.12 0.00 0.00 0.00 0.00 37.83 35.74 3f6i s LYS 59 CO -0.09 -1.93 1.42 -2.30 0.00 0.00 0.00 175.35 172.44 3f6i n PRO 60 N -3.35 2.26 -0.97 1.78 -0.02 -1.26 0.30 135.00 133.74 3f6i n PRO 60 Ca 0.11 0.80 -0.04 0.00 -2.02 0.00 0.00 63.50 62.36 3f6i n PRO 60 Cb 0.52 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 3f6i n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3f6i n ASN 61 N 1.59 -4.93 -4.34 2.55 5.03 -0.86 -4.81 115.26 109.49 3f6i n ASN 61 Ca 0.08 0.09 -0.27 0.00 0.87 0.00 0.00 54.58 55.35 3f6i n ASN 61 Cb 0.35 -3.23 0.16 0.00 -1.02 0.00 0.00 39.78 36.03 3f6i n ASN 61 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3f6i s GLY 62 N -1.83 1.78 0.09 7.41 0.00 0.15 -4.85 107.32 110.07 3f6i s GLY 62 Ca 0.00 -1.58 -0.06 0.00 0.00 0.00 0.00 44.72 43.08 3f6i s GLY 62 CO 0.00 -0.87 0.13 1.20 0.00 0.00 0.00 173.10 173.56 3f6i s GLN 63 N -5.54 0.82 -0.16 2.90 -0.21 -1.26 -2.09 119.66 114.12 3f6i s GLN 63 Ca 0.72 -1.08 -0.12 0.00 0.02 0.00 0.00 55.36 54.90 3f6i s GLN 63 Cb -0.04 0.31 0.05 0.00 1.00 0.00 0.00 33.01 34.33 3f6i s GLN 63 CO 0.49 -0.24 0.40 -1.14 -2.12 0.00 0.00 175.29 172.68 3f6i s GLN 64 N -3.90 0.43 -0.12 2.91 2.00 -0.49 -4.92 119.66 115.57 3f6i s GLN 64 Ca 0.08 0.66 -0.07 0.00 -2.00 0.00 0.00 55.36 54.03 3f6i s GLN 64 Cb 0.06 0.11 -0.04 0.00 0.80 0.00 0.00 33.01 33.94 3f6i s GLN 64 CO -0.09 -0.10 0.13 0.95 -0.50 0.00 0.00 175.29 175.68 3f6i s THR 65 N 0.75 5.41 -0.01 -0.34 -4.23 -1.26 -0.93 115.64 115.03 3f6i s THR 65 Ca -0.04 0.17 0.06 0.00 -1.18 0.00 0.00 61.69 60.70 3f6i s THR 65 Cb -0.05 -3.36 -0.03 0.00 1.34 0.00 0.00 72.50 70.40 3f6i s THR 65 CO -0.05 0.60 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.69 3f6i s LEU 66 N -0.90 2.58 -0.18 4.79 1.43 0.30 -4.59 118.68 122.11 3f6i s LEU 66 Ca 0.14 -0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 3f6i s LEU 66 Cb -0.12 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 3f6i s LEU 66 CO 0.03 0.31 0.25 -0.13 0.23 0.00 0.00 176.35 177.04 3f6i s ARG 67 N -1.00 4.21 -0.40 1.70 0.52 0.02 -1.38 118.95 122.62 3f6i s ARG 67 Ca 0.13 -0.02 -0.13 0.00 -0.52 0.00 0.00 55.73 55.19 3f6i s ARG 67 Cb -0.10 -3.45 0.03 0.00 0.52 0.00 0.00 34.95 31.95 3f6i s ARG 67 CO 0.02 0.21 0.27 0.42 0.02 0.00 0.00 175.30 176.24 3f6i s ILE 68 N 0.58 4.89 0.00 1.52 1.01 0.27 -1.27 121.20 128.21 3f6i s ILE 68 Ca 0.14 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.94 3f6i s ILE 68 Cb -0.13 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.57 3f6i s ILE 68 CO 0.03 -0.33 0.00 -0.38 0.00 0.00 0.00 174.94 174.26 3f6i n ILE 69 N 5.08 0.00 -1.56 2.92 -0.00 0.04 -0.84 119.36 125.00 3f6i n ILE 69 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 62.62 3f6i n ILE 69 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 40.09 3f6i n ILE 69 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3f6i n ALA 71 N -3.00 0.82 -3.23 -1.39 0.00 0.19 -0.34 120.51 113.57 3f6i n ALA 71 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.34 3f6i n ALA 71 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 3f6i n ALA 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3f6i s SER 72 N -0.19 -0.84 0.00 0.00 0.15 -1.21 -4.50 113.70 107.10 3f6i s SER 72 Ca 0.00 0.67 0.10 0.00 0.70 0.00 0.00 55.95 57.42 3f6i s SER 72 Cb 0.00 1.76 0.60 0.00 -1.71 0.00 0.00 66.02 66.68 3f6i s SER 72 CO 0.00 -0.16 1.27 -0.90 1.20 0.00 0.00 173.24 174.66 3f6i n ASP 73 N 5.37 0.00 -3.53 5.45 3.85 -1.26 -4.09 116.55 122.34 3f6i n ASP 73 Ca -0.06 -1.40 -0.38 0.00 -0.71 0.00 0.00 54.79 52.24 3f6i n ASP 73 Cb 0.52 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.30 3f6i n ASP 73 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 3f6i n HIS 74 N -0.68 3.00 -4.69 2.11 -0.00 -1.26 -4.98 115.22 108.71 3f6i n HIS 74 Ca 0.08 -2.90 -0.24 0.00 -0.00 0.00 0.00 57.72 54.65 3f6i n HIS 74 Cb 0.03 -1.04 -0.16 0.00 -0.00 0.00 0.00 29.99 28.82 3f6i n HIS 74 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 3f6i s LEU 75 N -3.93 1.85 -0.02 2.41 1.98 -1.26 -5.08 118.68 114.64 3f6i s LEU 75 Ca 0.40 -0.30 -0.37 0.00 -2.89 0.00 0.00 54.13 50.97 3f6i s LEU 75 Cb 0.19 -0.85 -0.16 0.00 0.66 0.00 0.00 46.19 46.04 3f6i s LEU 75 CO -0.10 0.12 1.53 -2.65 -1.89 0.00 0.00 176.35 173.36 3f6i n PRO 76 N 3.26 1.38 -0.23 0.98 -0.02 -1.26 -4.82 135.00 134.29 3f6i n PRO 76 Ca -0.19 0.50 0.10 0.00 -2.02 0.00 0.00 63.50 61.89 3f6i n PRO 76 Cb 0.53 -2.19 0.22 0.00 -0.02 0.00 0.00 33.50 32.04 3f6i n PRO 76 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3f6i n LYS 77 N 3.78 2.51 0.00 -0.52 5.02 -1.26 -4.34 118.16 123.36 3f6i n LYS 77 Ca 0.21 -2.26 0.00 0.00 -2.02 0.00 0.00 58.31 54.23 3f6i n LYS 77 Cb 0.20 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 3f6i n LYS 77 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3f6i n ASP 78 N 1.23 0.28 -3.71 4.39 3.85 -1.26 -4.69 116.55 116.63 3f6i n ASP 78 Ca 0.18 -0.63 -0.14 0.00 -0.71 0.00 0.00 54.79 53.49 3f6i n ASP 78 Cb 0.54 0.67 -0.08 0.00 -1.35 0.00 0.00 41.12 40.90 3f6i n ASP 78 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3f6i s LYS 79 N -0.67 0.73 0.59 0.11 -2.85 -1.26 -4.79 119.74 111.60 3f6i s LYS 79 Ca 0.00 -0.04 -0.20 0.00 -1.00 0.00 0.00 55.97 54.73 3f6i s LYS 79 Cb 0.00 0.33 -0.03 0.00 -2.06 0.00 0.00 37.83 36.07 3f6i s LYS 79 CO 0.00 -0.20 1.34 0.39 0.10 0.00 0.00 175.35 176.97 3f6i n GLU 80 N 1.33 1.45 -4.14 1.78 1.02 0.09 -4.75 120.64 117.41 3f6i n GLU 80 Ca -0.20 0.54 -0.09 0.00 -0.02 0.00 0.00 57.16 57.39 3f6i n GLU 80 Cb 0.56 -2.56 -0.10 0.00 -0.02 0.00 0.00 31.44 29.32 3f6i n GLU 80 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3f6i s SER 81 N -1.11 0.84 0.29 1.62 1.04 -1.08 -4.81 113.70 110.49 3f6i s SER 81 Ca 0.77 -1.03 0.11 0.00 0.48 0.00 0.00 55.95 56.28 3f6i s SER 81 Cb -0.40 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 65.82 3f6i s SER 81 CO 0.45 -0.54 -0.14 0.68 0.98 0.00 0.00 173.24 174.67 3f6i s VAL 82 N -3.77 2.59 0.08 5.02 -7.23 -1.26 -0.59 120.40 115.24 3f6i s VAL 82 Ca 0.11 -2.27 -0.12 0.00 -1.81 0.00 0.00 61.98 57.89 3f6i s VAL 82 Cb 0.07 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.55 3f6i s VAL 82 CO -0.06 -0.35 0.27 -0.31 -0.31 0.00 0.00 175.10 174.34 3f6i s TYR 83 N -2.50 -0.02 -0.33 2.82 1.51 0.38 -4.63 117.35 114.59 3f6i s TYR 83 Ca 0.31 -0.27 -0.18 0.00 -1.01 0.00 0.00 57.07 55.92 3f6i s TYR 83 Cb -0.04 0.06 -0.01 0.00 -0.11 0.00 0.00 41.96 41.86 3f6i s TYR 83 CO 0.16 -0.55 0.51 -1.58 -1.11 0.00 0.00 175.55 172.98 3f6i s TRP 84 N -3.28 3.20 -0.21 2.71 0.23 0.51 -0.16 118.94 121.95 3f6i s TRP 84 Ca 0.00 0.30 -0.21 0.00 -2.03 0.00 0.00 56.10 54.17 3f6i s TRP 84 Cb 0.02 -2.87 -0.02 0.00 0.03 0.00 0.00 33.47 30.63 3f6i s TRP 84 CO -0.08 -0.47 0.63 -1.17 0.96 0.00 0.00 176.95 176.83 3f6i s LEU 85 N 2.37 4.13 -0.08 2.99 2.96 0.12 -0.60 118.68 130.57 3f6i s LEU 85 Ca 0.19 0.82 0.01 0.00 -0.22 0.00 0.00 54.13 54.94 3f6i s LEU 85 Cb -0.15 -2.89 -0.02 0.00 0.50 0.00 0.00 46.19 43.62 3f6i s LEU 85 CO 0.12 -0.29 -0.11 0.20 -1.32 0.00 0.00 176.35 174.95 3f6i s ASN 86 N 1.24 4.28 -0.19 3.68 0.01 0.36 -0.15 114.94 124.17 3f6i s ASN 86 Ca 0.28 -0.16 -0.00 0.00 -0.71 0.00 0.00 52.86 52.27 3f6i s ASN 86 Cb -0.16 -1.18 0.05 0.00 0.41 0.00 0.00 41.25 40.37 3f6i s ASN 86 CO 0.10 0.30 -0.05 -0.22 -1.51 0.00 0.00 177.10 175.72 3f6i s LEU 87 N -0.45 1.91 -0.30 0.60 0.20 -0.39 -2.39 118.68 117.87 3f6i s LEU 87 Ca 0.06 -0.85 -0.05 0.00 0.69 0.00 0.00 54.13 53.98 3f6i s LEU 87 Cb -0.12 -0.99 0.02 0.00 -0.43 0.00 0.00 46.19 44.67 3f6i s LEU 87 CO 0.02 -0.21 0.05 -1.58 -0.29 0.00 0.00 176.35 174.34 3f6i s GLN 88 N 1.56 2.86 0.30 1.98 2.00 0.15 -1.52 119.66 126.99 3f6i s GLN 88 Ca -0.01 -1.00 -0.18 0.00 -2.00 0.00 0.00 55.36 52.17 3f6i s GLN 88 Cb -0.17 -3.30 -0.09 0.00 0.80 0.00 0.00 33.01 30.26 3f6i s GLN 88 CO -0.07 -0.51 0.76 0.16 -0.50 0.00 0.00 175.29 175.13 3f6i s ASP 89 N 1.42 6.91 -0.36 6.67 -4.77 -1.09 -0.21 116.67 125.24 3f6i s ASP 89 Ca 0.00 1.38 0.04 0.00 -3.30 0.00 0.00 52.55 50.67 3f6i s ASP 89 Cb -0.18 -2.41 0.10 0.00 -1.09 0.00 0.00 42.92 39.34 3f6i s ASP 89 CO 0.01 -0.13 0.07 -0.63 0.70 0.00 0.00 175.17 175.19 3f6i s ILE 90 N -1.82 2.34 0.79 2.11 1.01 0.20 -4.40 121.20 121.43 3f6i s ILE 90 Ca 0.51 -2.42 -0.14 0.00 0.00 0.00 0.00 60.65 58.60 3f6i s ILE 90 Cb -0.13 -2.72 0.05 0.00 0.01 0.00 0.00 42.46 39.68 3f6i s ILE 90 CO 0.19 -0.62 1.08 -0.81 0.00 0.00 0.00 174.94 174.78 3f6i n PRO 91 N 4.17 0.28 -1.13 2.79 -0.04 -1.26 -0.19 135.00 139.61 3f6i n PRO 91 Ca 0.04 0.16 -0.30 0.00 -0.04 0.00 0.00 63.50 63.36 3f6i n PRO 91 Cb 0.41 -2.34 0.23 0.00 -0.04 0.00 0.00 33.50 31.77 3f6i n PRO 91 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3f6i s PRO 92 N -3.82 -1.08 0.53 0.54 0.02 -1.26 -4.80 135.00 125.14 3f6i s PRO 92 Ca 0.73 -0.07 -0.20 0.00 0.02 0.00 0.00 61.00 61.47 3f6i s PRO 92 Cb -0.31 -1.61 -0.06 0.00 0.02 0.00 0.00 34.50 32.54 3f6i s PRO 92 CO 0.51 -3.61 1.15 0.00 -0.33 0.00 0.00 177.00 174.72 3f6i s ALA 93 N -3.06 2.75 -0.24 -1.55 0.00 -1.26 -5.01 121.76 113.39 3f6i s ALA 93 Ca 0.71 0.88 -0.21 0.00 0.00 0.00 0.00 51.96 53.34 3f6i s ALA 93 Cb -0.10 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 3f6i s ALA 93 CO 0.56 -0.79 0.64 -0.51 0.00 0.00 0.00 175.76 175.66 3f6i s LEU 94 N -3.64 4.09 -0.07 0.00 1.43 -1.26 -5.02 118.68 114.20 3f6i s LEU 94 Ca 0.71 0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 54.28 3f6i s LEU 94 Cb -0.26 -2.88 -0.06 0.00 0.03 0.00 0.00 46.19 43.02 3f6i s LEU 94 CO 0.29 -0.35 1.77 -1.61 0.23 0.00 0.00 176.35 176.69 3f6i s GLU 95 N 2.34 4.03 2.21 1.70 8.01 -1.26 -4.68 118.70 131.06 3f6i s GLU 95 Ca 0.27 2.21 0.00 0.00 0.01 0.00 0.00 54.97 57.46 3f6i s GLU 95 Cb -0.16 -4.07 0.00 0.00 -4.31 0.00 0.00 34.13 25.60 3f6i s GLU 95 CO 0.09 -1.04 0.00 0.41 0.01 0.00 0.00 175.26 174.73 3f6i n GLY 96 N 4.44 -0.54 1.59 -1.39 0.00 -1.26 -4.94 105.19 103.08 3f6i n GLY 96 Ca 0.19 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 3f6i n GLY 96 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3f6i n SER 97 N -1.74 -0.14 0.00 1.61 3.41 -1.26 -5.03 113.62 110.47 3f6i n SER 97 Ca 0.00 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 3f6i n SER 97 Cb 0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 3f6i n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f6i n GLY 98 N 1.14 0.69 3.12 5.00 0.00 -1.26 -4.99 105.19 108.89 3f6i n GLY 98 Ca 0.07 -2.15 -0.25 0.00 0.00 0.00 0.00 46.02 43.69 3f6i n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f6i s ILE 99 N -1.01 1.33 -0.14 -0.61 1.01 -1.26 -5.13 121.20 115.40 3f6i s ILE 99 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3f6i s ILE 99 Cb 0.00 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 3f6i s ILE 99 CO 0.00 0.39 -0.16 0.00 0.00 0.00 0.00 174.94 175.17 3f6i s ALA 100 N 0.02 2.50 -0.18 9.38 0.00 -1.26 -5.10 121.76 127.11 3f6i s ALA 100 Ca -0.03 -0.99 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 3f6i s ALA 100 Cb -0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 3f6i s ALA 100 CO 0.02 0.10 0.32 0.14 0.00 0.00 0.00 175.76 176.33 3f6i s VAL 101 N 0.61 5.28 -0.10 0.00 -7.23 -1.26 -5.08 120.40 112.62 3f6i s VAL 101 Ca -0.09 0.57 0.02 0.00 -1.81 0.00 0.00 61.98 60.68 3f6i s VAL 101 Cb -0.16 -3.65 0.01 0.00 0.56 0.00 0.00 36.38 33.14 3f6i s VAL 101 CO 0.03 0.34 -0.16 0.00 -0.31 0.00 0.00 175.10 175.00 3f6i s ALA 102 N 0.79 1.67 -0.11 1.32 0.00 -1.26 -4.65 121.76 119.51 3f6i s ALA 102 Ca 0.17 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 3f6i s ALA 102 Cb -0.14 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 3f6i s ALA 102 CO 0.05 0.02 -0.04 -0.51 0.00 0.00 0.00 175.76 175.28 3f6i s LEU 103 N 0.82 3.26 -0.18 0.00 1.43 -1.26 -5.01 118.68 117.74 3f6i s LEU 103 Ca -0.10 -0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 3f6i s LEU 103 Cb -0.16 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 3f6i s LEU 103 CO 0.01 0.27 0.02 -0.60 0.23 0.00 0.00 176.35 176.28 3f6i s ARG 104 N -0.24 3.81 -0.11 1.70 3.52 -1.26 -2.67 118.95 123.69 3f6i s ARG 104 Ca 0.04 -0.43 -0.00 0.00 -0.13 0.00 0.00 55.73 55.20 3f6i s ARG 104 Cb -0.13 -3.09 -0.02 0.00 -1.56 0.00 0.00 34.95 30.15 3f6i s ARG 104 CO 0.02 0.22 -0.09 -0.08 -0.81 0.00 0.00 175.30 174.56 3f6i s THR 105 N 0.48 3.43 -0.20 4.11 -1.32 -0.57 -4.98 115.64 116.59 3f6i s THR 105 Ca 0.00 -0.55 -0.02 0.00 -1.21 0.00 0.00 61.69 59.92 3f6i s THR 105 Cb -0.13 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.42 3f6i s THR 105 CO 0.02 0.54 -0.12 -0.75 -2.21 0.00 0.00 174.62 172.10 3f6i s LYS 106 N -0.04 3.21 0.03 7.08 2.20 -1.26 -1.26 119.74 129.69 3f6i s LYS 106 Ca -0.01 -0.72 0.06 0.00 -0.36 0.00 0.00 55.97 54.95 3f6i s LYS 106 Cb -0.14 -2.80 -0.02 0.00 -1.51 0.00 0.00 37.83 33.36 3f6i s LYS 106 CO 0.03 -0.18 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.14 3f6i s LEU 107 N 1.34 2.13 0.19 5.43 1.43 0.78 -4.94 118.68 125.04 3f6i s LEU 107 Ca 0.04 -0.45 -0.32 0.00 -1.03 0.00 0.00 54.13 52.37 3f6i s LEU 107 Cb -0.14 -0.89 -0.11 0.00 0.03 0.00 0.00 46.19 45.08 3f6i s LEU 107 CO -0.07 0.15 1.68 -0.54 0.23 0.00 0.00 176.35 177.81 3f6i s LYS 108 N -0.95 4.15 -0.28 1.70 3.01 -1.26 0.12 119.74 126.23 3f6i s LYS 108 Ca 0.06 2.54 0.03 0.00 -1.01 0.00 0.00 55.97 57.59 3f6i s LYS 108 Cb -0.08 -3.12 0.07 0.00 -1.01 0.00 0.00 37.83 33.69 3f6i s LYS 108 CO 0.01 -0.72 -0.05 -1.17 0.51 0.00 0.00 175.35 173.93 3f6i s LEU 109 N 1.25 3.81 0.10 3.17 2.96 0.77 -1.56 118.68 129.17 3f6i s LEU 109 Ca 0.74 -1.63 -0.13 0.00 -0.22 0.00 0.00 54.13 52.88 3f6i s LEU 109 Cb -0.48 -1.55 -0.06 0.00 0.50 0.00 0.00 46.19 44.60 3f6i s LEU 109 CO 0.32 -0.25 0.49 -0.36 -1.32 0.00 0.00 176.35 175.22 3f6i s PHE 110 N 1.06 3.64 -0.21 5.38 0.40 0.89 -0.47 117.98 128.66 3f6i s PHE 110 Ca -0.02 0.99 -0.02 0.00 -0.60 0.00 0.00 56.93 57.28 3f6i s PHE 110 Cb -0.20 -2.31 0.01 0.00 0.51 0.00 0.00 43.02 41.03 3f6i s PHE 110 CO -0.06 0.50 -0.09 -0.47 0.70 0.00 0.00 175.22 175.80 3f6i s TYR 111 N -1.36 2.92 -0.41 0.36 5.04 0.24 -0.02 117.35 124.12 3f6i s TYR 111 Ca 0.34 -1.26 -0.09 0.00 -2.44 0.00 0.00 57.07 53.62 3f6i s TYR 111 Cb -0.15 -2.04 0.07 0.00 0.35 0.00 0.00 41.96 40.19 3f6i s TYR 111 CO 0.18 -0.66 0.25 0.50 -1.34 0.00 0.00 175.55 174.48 3f6i s ARG 112 N 1.40 2.62 0.44 4.97 3.52 0.30 -2.63 118.95 129.57 3f6i s ARG 112 Ca 0.05 -1.42 -0.05 0.00 -0.13 0.00 0.00 55.73 54.18 3f6i s ARG 112 Cb -0.14 -3.76 0.07 0.00 -1.56 0.00 0.00 34.95 29.56 3f6i s ARG 112 CO -0.06 -0.92 0.16 -2.30 -0.81 0.00 0.00 175.30 171.37 3f6i n PRO 113 N 4.92 0.02 0.00 5.12 -0.02 -1.26 0.11 135.00 143.88 3f6i n PRO 113 Ca -0.10 -0.27 0.12 0.00 -2.02 0.00 0.00 63.50 61.22 3f6i n PRO 113 Cb 0.43 -0.69 0.19 0.00 -0.02 0.00 0.00 33.50 33.41 3f6i n PRO 113 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3f6i n LYS 114 N -0.44 0.02 0.15 -0.52 0.00 -1.26 -3.75 118.16 112.35 3f6i n LYS 114 Ca 0.03 -0.01 0.12 0.00 -0.00 0.00 0.00 58.31 58.44 3f6i n LYS 114 Cb 0.11 -1.50 0.08 0.00 -0.00 0.00 0.00 35.03 33.72 3f6i n LYS 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3f6i h ALA 115 N 3.01 0.71 -0.26 0.58 0.00 -1.90 -3.33 119.26 118.08 3f6i h ALA 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f6i h ALA 115 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3f6i h ALA 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3f6i n LEU 116 N -2.84 2.94 -0.15 0.00 4.77 -1.25 -4.73 117.00 115.75 3f6i n LEU 116 Ca 0.02 -1.45 0.04 0.00 -0.03 0.00 0.00 56.01 54.58 3f6i n LEU 116 Cb 0.54 -0.17 0.33 0.00 -2.33 0.00 0.00 43.42 41.79 3f6i n LEU 116 CO 0.37 0.63 1.21 -0.07 -1.33 0.00 0.00 177.39 178.21 3f6i h LEU 117 N 3.39 0.68 -3.10 2.23 3.38 -1.68 -3.01 115.31 117.20 3f6i h LEU 117 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3f6i h LEU 117 Cb 0.80 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3f6i h LEU 117 CO 0.00 0.48 0.00 -0.62 0.09 0.00 0.00 178.44 178.39 3f6i n GLU 118 N -4.46 2.62 0.00 1.13 1.02 -1.26 -4.56 120.64 115.14 3f6i n GLU 118 Ca 0.08 -2.48 0.07 0.00 -0.02 0.00 0.00 57.16 54.80 3f6i n GLU 118 Cb 0.11 -1.57 0.02 0.00 -0.02 0.00 0.00 31.44 29.98 3f6i n GLU 118 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3f6i n GLY 119 N -0.44 -0.08 0.20 0.62 0.00 -1.13 -4.72 105.19 99.64 3f6i n GLY 119 Ca 0.16 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 3f6i n GLY 119 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3f6i h ARG 120 N 1.91 0.63 -6.28 1.61 1.12 -1.80 -3.38 114.38 108.19 3f6i h ARG 120 Ca 0.00 -0.06 -0.63 0.00 -1.11 0.00 0.00 59.98 58.18 3f6i h ARG 120 Cb 0.50 -0.13 0.02 0.00 -0.01 0.00 0.00 29.97 30.35 3f6i h ARG 120 CO 0.00 0.46 1.03 1.63 -3.11 0.00 0.00 179.97 179.98 3f6i n LYS 121 N -4.72 2.01 -1.11 0.20 4.76 -1.26 -1.63 118.16 116.41 3f6i n LYS 121 Ca 0.02 0.74 -0.04 0.00 -2.87 0.00 0.00 58.31 56.16 3f6i n LYS 121 Cb 0.05 -2.55 -0.02 0.00 -1.84 0.00 0.00 35.03 30.68 3f6i n LYS 121 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3f6i n GLY 122 N 4.23 0.61 0.30 0.72 0.00 -1.26 -4.89 105.19 104.89 3f6i n GLY 122 Ca 0.22 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 46.05 3f6i n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f6i h ALA 123 N 0.00 1.86 -0.53 4.61 0.00 -1.48 -2.18 119.26 121.53 3f6i h ALA 123 Ca -0.07 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 54.97 3f6i h ALA 123 Cb 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3f6i h ALA 123 CO 0.11 0.11 0.65 0.93 0.00 0.00 0.00 179.25 181.05 3f6i h GLU 124 N 0.34 0.00 0.00 0.00 3.07 -1.90 0.29 114.58 116.38 3f6i h GLU 124 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3f6i h GLU 124 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 3f6i h GLU 124 CO -0.03 0.00 0.00 0.93 -1.40 0.00 0.00 179.01 178.51 3f6i h GLU 125 N 0.00 0.00 -0.13 2.33 5.08 -1.60 -1.54 114.58 118.72 3f6i h GLU 125 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3f6i h GLU 125 Cb 1.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.81 3f6i h GLU 125 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3f6i n GLY 126 N -0.13 -0.02 3.74 -3.84 0.00 0.10 -0.42 105.19 104.62 3f6i n GLY 126 Ca 0.00 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3f6i n GLY 126 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f6i s ILE 127 N -1.84 3.89 0.09 -0.61 1.01 -0.58 -4.18 121.20 118.98 3f6i s ILE 127 Ca 0.31 1.69 0.07 0.00 0.00 0.00 0.00 60.65 62.72 3f6i s ILE 127 Cb 0.16 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 3f6i s ILE 127 CO 0.25 0.32 -0.18 -0.94 0.00 0.00 0.00 174.94 174.38 3f6i s SER 128 N -0.32 2.21 -0.11 3.58 1.04 -1.01 0.19 113.70 119.27 3f6i s SER 128 Ca 0.48 -0.67 -0.04 0.00 0.48 0.00 0.00 55.95 56.20 3f6i s SER 128 Cb -0.29 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.69 3f6i s SER 128 CO 0.35 0.00 0.02 -1.48 0.98 0.00 0.00 173.24 173.11 3f6i s LEU 129 N -1.88 3.66 0.03 2.42 2.34 -1.26 -0.86 118.68 123.13 3f6i s LEU 129 Ca 0.04 0.13 -0.02 0.00 0.06 0.00 0.00 54.13 54.34 3f6i s LEU 129 Cb -0.10 -1.86 -0.02 0.00 -0.56 0.00 0.00 46.19 43.65 3f6i s LEU 129 CO 0.04 0.32 0.00 0.00 -1.06 0.00 0.00 176.35 175.65 3f6i s GLN 130 N -0.53 0.41 0.66 1.48 -2.07 -1.26 -4.99 119.66 113.36 3f6i s GLN 130 Ca 0.09 -0.70 -0.10 0.00 -1.82 0.00 0.00 55.36 52.83 3f6i s GLN 130 Cb -0.12 0.15 0.00 0.00 -1.09 0.00 0.00 33.01 31.95 3f6i s GLN 130 CO 0.02 -0.08 1.03 -1.12 -1.32 0.00 0.00 175.29 173.83 3f6i s SER 131 N -1.77 5.63 0.10 12.60 0.01 -1.26 -4.56 113.70 124.45 3f6i s SER 131 Ca -0.11 1.08 0.03 0.00 1.31 0.00 0.00 55.95 58.26 3f6i s SER 131 Cb -0.06 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 3f6i s SER 131 CO -0.03 -1.18 -0.08 -0.13 0.41 0.00 0.00 173.24 172.24 3f6i s ARG 132 N -5.23 0.82 0.47 12.44 1.81 -0.72 -4.99 118.95 123.56 3f6i s ARG 132 Ca 0.56 -1.23 0.32 0.00 -1.72 0.00 0.00 55.73 53.66 3f6i s ARG 132 Cb -0.11 -0.34 1.69 0.00 -0.45 0.00 0.00 34.95 35.75 3f6i s ARG 132 CO 0.50 0.02 1.97 -1.35 -0.68 0.00 0.00 175.30 175.77 3f6i h PRO 133 N 3.28 0.00 -0.75 3.54 0.11 -1.99 -1.10 132.00 135.09 3f6i h PRO 133 Ca -0.36 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.90 3f6i h PRO 133 Cb 1.18 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 3f6i h PRO 133 CO 0.59 0.00 -0.21 -0.44 -0.21 0.00 0.00 178.00 177.73 3f6i h ASP 134 N 0.00 -0.76 0.00 -2.05 3.32 -2.03 -3.45 116.42 111.45 3f6i h ASP 134 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3f6i h ASP 134 Cb 0.04 0.49 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3f6i h ASP 134 CO 0.00 -0.26 0.00 0.61 -1.72 0.00 0.00 179.24 177.87 3f6i n GLY 135 N -1.50 1.08 3.86 2.75 0.00 -0.41 -5.10 105.19 105.86 3f6i n GLY 135 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3f6i n GLY 135 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3f6i s ARG 136 N -0.57 3.90 0.51 1.61 3.03 -1.26 -4.90 118.95 121.27 3f6i s ARG 136 Ca 0.00 0.72 0.01 0.00 2.03 0.00 0.00 55.73 58.49 3f6i s ARG 136 Cb 0.00 -2.29 0.01 0.00 -1.03 0.00 0.00 34.95 31.64 3f6i s ARG 136 CO 0.00 -0.09 0.06 0.25 -1.13 0.00 0.00 175.30 174.39 3f6i n THR 137 N -1.22 0.00 -3.90 4.99 -2.24 -1.26 -1.75 114.28 108.90 3f6i n THR 137 Ca 0.04 -2.32 -0.27 0.00 -2.27 0.00 0.00 64.05 59.23 3f6i n THR 137 Cb 0.54 0.39 -0.17 0.00 -2.10 0.00 0.00 70.33 68.99 3f6i n THR 137 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3f6i s LEU 139 N 0.00 1.21 -0.13 3.22 2.96 0.12 -0.48 118.68 125.59 3f6i s LEU 139 Ca 0.05 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 3f6i s LEU 139 Cb -0.00 -0.85 0.01 0.00 0.50 0.00 0.00 46.19 45.85 3f6i s LEU 139 CO 0.03 -0.12 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.06 3f6i s VAL 140 N 1.70 1.80 -1.29 1.68 1.01 -0.04 -0.78 120.40 124.49 3f6i s VAL 140 Ca 0.05 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 3f6i s VAL 140 Cb -0.13 -1.61 0.05 0.00 0.00 0.00 0.00 36.38 34.69 3f6i s VAL 140 CO -0.08 0.50 1.78 -3.20 0.00 0.00 0.00 175.10 174.09 3f6i n ASN 141 N 4.15 4.67 -2.62 3.32 2.85 -0.65 -2.39 115.26 124.59 3f6i n ASN 141 Ca -0.19 -2.89 -0.27 0.00 -0.11 0.00 0.00 54.58 51.12 3f6i n ASN 141 Cb 0.51 -1.75 -0.07 0.00 1.24 0.00 0.00 39.78 39.72 3f6i n ASN 141 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3f6i n THR 142 N 6.55 3.67 -4.17 -0.44 -2.24 -1.26 -0.71 114.28 115.69 3f6i n THR 142 Ca 0.49 -2.86 -0.10 0.00 -2.27 0.00 0.00 64.05 59.30 3f6i n THR 142 Cb 0.46 -1.85 -0.10 0.00 -2.10 0.00 0.00 70.33 66.74 3f6i n THR 142 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3f6i s THR 143 N -0.97 0.17 -2.10 4.28 -4.23 -1.26 -4.76 115.64 106.77 3f6i s THR 143 Ca 0.61 -1.93 0.15 0.00 -1.18 0.00 0.00 61.69 59.34 3f6i s THR 143 Cb 0.32 -2.09 0.38 0.00 1.34 0.00 0.00 72.50 72.44 3f6i s THR 143 CO -0.14 -0.43 1.46 -0.81 -0.54 0.00 0.00 174.62 174.16 3f6i n PRO 144 N -0.13 1.40 -4.40 3.99 -0.05 -1.26 -4.35 135.00 130.21 3f6i n PRO 144 Ca -0.05 -0.62 -0.31 0.00 -0.05 0.00 0.00 63.50 62.48 3f6i n PRO 144 Cb 0.64 -1.28 -0.11 0.00 -0.05 0.00 0.00 33.50 32.71 3f6i n PRO 144 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 175.50 176.16 3f6i s TYR 145 N -1.84 2.76 -0.04 0.54 1.51 -1.26 -0.73 117.35 118.29 3f6i s TYR 145 Ca 0.24 -0.13 -0.26 0.00 -1.01 0.00 0.00 57.07 55.91 3f6i s TYR 145 Cb 0.12 -1.51 -0.03 0.00 -0.11 0.00 0.00 41.96 40.43 3f6i s TYR 145 CO 0.19 0.37 0.82 0.42 -1.11 0.00 0.00 175.55 176.24 3f6i s ILE 146 N -1.08 4.97 0.20 2.71 1.01 -1.26 -4.00 121.20 123.75 3f6i s ILE 146 Ca 0.19 1.70 0.10 0.00 0.00 0.00 0.00 60.65 62.63 3f6i s ILE 146 Cb -0.11 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 3f6i s ILE 146 CO 0.10 0.21 -0.12 -0.36 0.00 0.00 0.00 174.94 174.77 3f6i s PHE 147 N 0.88 2.55 -0.53 3.97 0.40 0.20 -4.95 117.98 120.50 3f6i s PHE 147 Ca 0.44 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.51 3f6i s PHE 147 Cb -0.19 -1.22 0.14 0.00 0.51 0.00 0.00 43.02 42.25 3f6i s PHE 147 CO 0.22 0.54 0.31 0.00 0.70 0.00 0.00 175.22 176.99 3f6i s ALA 148 N -1.83 3.37 -0.45 5.36 0.00 -1.26 -0.44 121.76 126.50 3f6i s ALA 148 Ca 0.25 -3.09 -0.26 0.00 0.00 0.00 0.00 51.96 48.86 3f6i s ALA 148 Cb -0.08 -2.40 0.03 0.00 0.00 0.00 0.00 23.12 20.67 3f6i s ALA 148 CO 0.15 -1.99 0.93 0.42 0.00 0.00 0.00 175.76 175.27 3f6i s ILE 149 N 0.12 4.47 -0.02 0.00 -1.09 0.28 -2.24 121.20 122.73 3f6i s ILE 149 Ca 0.15 0.80 -0.24 0.00 -2.23 0.00 0.00 60.65 59.13 3f6i s ILE 149 Cb -0.22 -4.43 -0.17 0.00 -1.58 0.00 0.00 42.46 36.05 3f6i s ILE 149 CO -0.03 -0.82 1.13 1.23 -1.23 0.00 0.00 174.94 175.22 3f6i h GLY 150 N 10.56 -0.28 -4.28 6.18 0.00 -0.50 -3.36 103.07 111.38 3f6i h GLY 150 Ca -0.24 0.10 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 3f6i h GLY 150 CO 1.03 -0.10 -0.52 -0.56 0.00 0.00 0.00 176.54 176.38 3f6i s SER 151 N -5.32 0.14 0.04 0.19 0.01 -1.20 -4.97 113.70 102.59 3f6i s SER 151 Ca -0.14 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.69 3f6i s SER 151 Cb 0.02 0.21 -0.04 0.00 0.21 0.00 0.00 66.02 66.42 3f6i s SER 151 CO 0.55 -0.46 0.11 -0.76 0.41 0.00 0.00 173.24 173.09 3f6i s LEU 152 N -1.88 3.98 -0.07 2.44 1.43 -1.26 -0.69 118.68 122.63 3f6i s LEU 152 Ca -0.08 0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 52.94 3f6i s LEU 152 Cb -0.04 -2.52 0.04 0.00 0.03 0.00 0.00 46.19 43.71 3f6i s LEU 152 CO -0.03 0.21 0.44 -1.48 0.23 0.00 0.00 176.35 175.72 3f6i s LEU 153 N -2.18 0.32 0.00 1.79 2.34 -0.11 -3.15 118.68 117.69 3f6i s LEU 153 Ca 0.28 0.48 0.00 0.00 0.06 0.00 0.00 54.13 54.95 3f6i s LEU 153 Cb -0.12 1.66 0.00 0.00 -0.56 0.00 0.00 46.19 47.17 3f6i s LEU 153 CO 0.20 -0.40 0.00 -0.67 -1.06 0.00 0.00 176.35 174.42 3f6i n ASP 154 N 1.64 0.00 0.03 1.48 2.03 -1.26 -1.28 116.55 119.18 3f6i n ASP 154 Ca -0.19 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 54.94 3f6i n ASP 154 Cb 0.56 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.83 3f6i n ASP 154 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3f6i h GLY 155 N 0.00 0.33 0.00 0.27 0.00 -2.00 -3.44 103.07 98.23 3f6i h GLY 155 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3f6i h GLY 155 CO 0.00 0.67 0.00 1.16 0.00 0.00 0.00 176.54 178.37 3f6i n ASN 156 N -4.21 0.00 -3.46 0.19 0.23 -1.26 -5.04 115.26 101.70 3f6i n ASN 156 Ca -0.13 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.64 3f6i n ASN 156 Cb 0.74 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.72 3f6i n ASN 156 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3f6i n GLY 157 N 5.00 -3.51 3.65 4.83 0.00 -1.26 -4.59 105.19 109.31 3f6i n GLY 157 Ca 0.00 -1.53 0.02 0.00 0.00 0.00 0.00 46.02 44.51 3f6i n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f6i s LYS 158 N -4.77 0.07 -0.42 1.61 -0.14 -1.25 -4.45 119.74 110.38 3f6i s LYS 158 Ca 0.64 0.12 -0.22 0.00 -1.36 0.00 0.00 55.97 55.15 3f6i s LYS 158 Cb -0.13 0.01 0.02 0.00 -1.68 0.00 0.00 37.83 36.05 3f6i s LYS 158 CO 0.55 -0.01 0.71 0.15 -0.76 0.00 0.00 175.35 175.99 3f6i s LYS 159 N 1.05 3.44 0.00 1.68 3.01 -1.19 -5.02 119.74 122.71 3f6i s LYS 159 Ca -0.08 -0.14 0.00 0.00 -1.01 0.00 0.00 55.97 54.74 3f6i s LYS 159 Cb -0.02 -3.91 0.00 0.00 -1.01 0.00 0.00 37.83 32.89 3f6i s LYS 159 CO -0.10 -0.99 0.00 -0.89 0.51 0.00 0.00 175.35 173.88 3f6i n ILE 160 N 5.92 0.00 -2.65 2.17 2.08 -1.26 -4.80 119.36 120.81 3f6i n ILE 160 Ca 0.00 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.90 3f6i n ILE 160 Cb 0.48 -0.08 -0.03 0.00 -0.75 0.00 0.00 39.64 39.26 3f6i n ILE 160 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 3f6i s ASP 163 N -1.52 7.32 0.10 4.38 1.11 -1.26 -4.86 116.67 121.95 3f6i s ASP 163 Ca 0.00 1.76 -0.16 0.00 0.18 0.00 0.00 52.55 54.33 3f6i s ASP 163 Cb 0.00 -2.58 0.01 0.00 1.07 0.00 0.00 42.92 41.42 3f6i s ASP 163 CO 0.00 -0.28 0.90 0.59 1.18 0.00 0.00 175.17 177.56 3f6i n ASN 164 N 3.72 -0.55 0.05 0.27 5.03 -1.26 0.17 115.26 122.69 3f6i n ASN 164 Ca 0.06 1.03 0.21 0.00 0.87 0.00 0.00 54.58 56.75 3f6i n ASN 164 Cb 0.50 -0.16 0.64 0.00 -1.02 0.00 0.00 39.78 39.73 3f6i n ASN 164 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3f6i h GLY 165 N 0.00 0.00 0.00 7.41 0.00 -2.00 0.20 103.07 108.67 3f6i h GLY 165 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 3f6i h GLY 165 CO -0.56 0.00 -0.14 -0.84 0.00 0.00 0.00 176.54 175.00 3f6i h THR 166 N 0.00 1.05 -1.27 4.70 2.02 0.14 -2.67 112.91 116.88 3f6i h THR 166 Ca 0.24 -1.83 0.37 0.00 0.77 0.00 0.00 66.41 65.96 3f6i h THR 166 Cb 1.58 2.02 -0.06 0.00 -1.74 0.00 0.00 68.15 69.95 3f6i h THR 166 CO -0.00 0.36 0.90 0.00 0.37 0.00 0.00 175.52 177.14 3f6i h THR 167 N -1.00 0.36 0.03 3.16 1.03 -0.45 0.20 112.91 116.24 3f6i h THR 167 Ca -0.03 -0.02 -0.26 0.00 -0.01 0.00 0.00 66.41 66.09 3f6i h THR 167 Cb 0.68 0.31 -0.03 0.00 -1.07 0.00 0.00 68.15 68.04 3f6i h THR 167 CO -0.02 0.01 -1.35 1.56 -0.01 0.00 0.00 175.52 175.71 3f6i h GLN 168 N 0.05 0.07 -0.03 0.00 4.20 -0.88 -3.27 115.11 115.24 3f6i h GLN 168 Ca 0.62 -0.12 -0.23 0.00 0.06 0.00 0.00 58.65 58.98 3f6i h GLN 168 Cb 2.37 0.05 0.01 0.00 0.30 0.00 0.00 27.48 30.20 3f6i h GLN 168 CO -0.06 0.89 -0.92 0.87 -0.67 0.00 0.00 178.83 178.94 3f6i h LYS 169 N 0.02 0.56 -0.34 1.46 1.79 -0.31 -2.82 116.57 116.92 3f6i h LYS 169 Ca -0.15 -0.56 0.10 0.00 -2.18 0.00 0.00 60.65 57.86 3f6i h LYS 169 Cb 1.91 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 32.69 3f6i h LYS 169 CO 0.13 1.18 0.31 -0.07 -1.08 0.00 0.00 179.45 179.92 3f6i h LEU 170 N 0.34 0.00 -1.74 2.94 4.07 -1.25 -2.44 115.31 117.22 3f6i h LEU 170 Ca -0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.88 3f6i h LEU 170 Cb 1.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.29 3f6i h LEU 170 CO 0.17 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.71 3f6i n LEU 171 N -3.98 2.13 0.00 1.67 4.77 -1.07 0.10 117.00 120.63 3f6i n LEU 171 Ca 0.05 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 3f6i n LEU 171 Cb 0.48 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3f6i n LEU 171 CO 0.30 0.37 0.00 0.33 -1.33 0.00 0.00 177.39 177.07 3f6i n PHE 173 N 0.44 0.00 -2.82 -1.77 7.35 0.42 -4.31 117.46 116.76 3f6i n PHE 173 Ca 0.00 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.26 3f6i n PHE 173 Cb 0.37 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.16 3f6i n PHE 173 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3f6i s PRO 175 N -2.00 3.48 0.00 -7.13 0.02 -1.26 -0.63 135.00 127.49 3f6i s PRO 175 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 61.00 61.09 3f6i s PRO 175 Cb 0.00 -3.95 0.00 0.00 0.02 0.00 0.00 34.50 30.57 3f6i s PRO 175 CO 0.00 -1.28 0.00 0.41 -0.33 0.00 0.00 177.00 175.80 3f6i n GLY 176 N 4.98 2.88 3.61 0.52 0.00 0.11 -5.03 105.19 112.26 3f6i n GLY 176 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3f6i n GLY 176 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f6i n ASP 177 N 0.00 0.80 -4.09 1.61 9.92 -1.26 -4.67 116.55 118.87 3f6i n ASP 177 Ca 0.00 0.84 -0.24 0.00 -0.53 0.00 0.00 54.79 54.86 3f6i n ASP 177 Cb 0.00 -1.38 -0.16 0.00 -0.64 0.00 0.00 41.12 38.94 3f6i n ASP 177 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3f6i s GLU 178 N -2.61 1.45 -0.11 -1.24 2.02 -1.26 -1.64 118.70 115.31 3f6i s GLU 178 Ca 0.73 -0.50 -0.00 0.00 0.02 0.00 0.00 54.97 55.23 3f6i s GLU 178 Cb -0.44 -1.30 0.02 0.00 0.10 0.00 0.00 34.13 32.52 3f6i s GLU 178 CO 0.49 0.20 -0.08 0.08 0.02 0.00 0.00 175.26 175.97 3f6i s VAL 179 N 0.07 1.07 0.53 2.63 1.01 0.04 -4.96 120.40 120.79 3f6i s VAL 179 Ca -0.03 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 3f6i s VAL 179 Cb -0.10 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 3f6i s VAL 179 CO 0.01 0.37 1.38 -1.58 0.00 0.00 0.00 175.10 175.28 3f6i s GLN 180 N 1.59 3.23 -0.03 2.72 0.74 -1.26 0.11 119.66 126.76 3f6i s GLN 180 Ca 0.03 2.29 0.01 0.00 0.05 0.00 0.00 55.36 57.73 3f6i s GLN 180 Cb -0.13 -2.33 0.02 0.00 1.10 0.00 0.00 33.01 31.67 3f6i s GLN 180 CO -0.07 -1.14 -0.02 0.08 -0.55 0.00 0.00 175.29 173.60 3f6i s VAL 181 N -1.28 0.31 -0.98 1.34 1.01 0.37 -4.78 120.40 116.40 3f6i s VAL 181 Ca 0.70 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.64 3f6i s VAL 181 Cb -0.41 -0.38 0.25 0.00 0.00 0.00 0.00 36.38 35.83 3f6i s VAL 181 CO 0.50 0.17 0.94 0.29 0.00 0.00 0.00 175.10 177.00 3f6i n LYS 182 N 4.09 3.05 -2.18 2.72 4.01 -1.26 -4.44 118.16 124.15 3f6i n LYS 182 Ca -0.26 -4.48 0.00 0.00 -0.51 0.00 0.00 58.31 53.06 3f6i n LYS 182 Cb 0.51 -2.46 0.00 0.00 -0.51 0.00 0.00 35.03 32.56 3f6i n LYS 182 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3f6i n GLY 183 N 2.33 0.03 3.14 0.72 0.00 -1.26 -4.98 105.19 105.18 3f6i n GLY 183 Ca 0.23 -1.49 -0.44 0.00 0.00 0.00 0.00 46.02 44.33 3f6i n GLY 183 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f6i n ASN 184 N 0.91 6.00 -4.72 1.61 4.13 -1.26 -5.03 115.26 116.91 3f6i n ASN 184 Ca 0.00 -3.26 -0.42 0.00 1.68 0.00 0.00 54.58 52.58 3f6i n ASN 184 Cb 0.00 -1.31 -0.03 0.00 -1.54 0.00 0.00 39.78 36.90 3f6i n ASN 184 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3f6i s VAL 185 N -2.15 2.81 0.00 2.41 1.01 -1.26 -4.54 120.40 118.68 3f6i s VAL 185 Ca 0.31 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3f6i s VAL 185 Cb -0.01 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.99 3f6i s VAL 185 CO 0.02 0.05 0.00 0.52 0.00 0.00 0.00 175.10 175.69 3f6i n VAL 186 N 3.96 0.00 -4.15 2.92 0.31 -0.49 -5.00 118.33 115.88 3f6i n VAL 186 Ca 0.13 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.37 3f6i n VAL 186 Cb 0.40 -0.46 -0.10 0.00 -0.91 0.00 0.00 33.84 32.76 3f6i n VAL 186 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3f6i s LYS 187 N -1.57 0.83 0.07 5.55 1.02 -0.40 -2.17 119.74 123.06 3f6i s LYS 187 Ca 0.00 -1.36 0.03 0.00 0.02 0.00 0.00 55.97 54.66 3f6i s LYS 187 Cb 0.00 0.07 -0.03 0.00 -0.52 0.00 0.00 37.83 37.35 3f6i s LYS 187 CO 0.00 -0.15 -0.09 0.14 -0.92 0.00 0.00 175.35 174.34 3f6i s VAL 188 N -3.87 0.70 -0.34 3.17 -7.23 0.51 -0.94 120.40 112.40 3f6i s VAL 188 Ca 0.16 -1.37 -0.15 0.00 -1.81 0.00 0.00 61.98 58.81 3f6i s VAL 188 Cb 0.07 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 36.00 3f6i s VAL 188 CO -0.03 -0.49 0.35 -1.81 -0.31 0.00 0.00 175.10 172.81 3f6i s ASP 189 N -2.04 6.17 -0.05 4.85 1.01 0.13 -1.57 116.67 125.16 3f6i s ASP 189 Ca -0.02 -0.25 0.05 0.00 0.71 0.00 0.00 52.55 53.04 3f6i s ASP 189 Cb -0.06 -2.19 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 3f6i s ASP 189 CO -0.00 -0.33 -0.21 -0.55 0.21 0.00 0.00 175.17 174.28 3f6i s SER 190 N 1.73 2.66 0.05 0.27 0.15 -0.21 0.24 113.70 118.59 3f6i s SER 190 Ca 0.11 -0.44 -0.31 0.00 0.70 0.00 0.00 55.95 56.01 3f6i s SER 190 Cb -0.17 -0.77 -0.06 0.00 -1.71 0.00 0.00 66.02 63.31 3f6i s SER 190 CO 0.12 0.20 1.29 -0.76 1.20 0.00 0.00 173.24 175.28 3f6i s LEU 191 N -0.03 4.35 0.00 3.45 1.43 -0.95 -0.61 118.68 126.31 3f6i s LEU 191 Ca -0.05 2.09 -0.00 0.00 -1.03 0.00 0.00 54.13 55.14 3f6i s LEU 191 Cb -0.13 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.54 3f6i s LEU 191 CO 0.03 -0.58 0.17 -0.46 0.23 0.00 0.00 176.35 175.75 3f6i n ASN 192 N 4.37 0.20 0.13 2.29 0.23 -0.14 -4.57 115.26 117.78 3f6i n ASN 192 Ca 0.11 -1.17 0.13 0.00 -0.53 0.00 0.00 54.58 53.12 3f6i n ASN 192 Cb 0.45 -0.11 0.66 0.00 -2.08 0.00 0.00 39.78 38.69 3f6i n ASN 192 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3f6i h ASP 193 N -0.12 0.01 -0.13 0.53 3.32 -1.97 0.09 116.42 118.16 3f6i h ASP 193 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3f6i h ASP 193 Cb 0.20 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3f6i h ASP 193 CO 0.06 0.01 0.00 -1.22 -1.72 0.00 0.00 179.24 176.37 3f6i n TYR 194 N -4.47 0.16 -1.05 4.55 4.02 -1.26 -4.90 117.16 114.21 3f6i n TYR 194 Ca 0.03 -0.08 -0.02 0.00 -0.01 0.00 0.00 57.90 57.82 3f6i n TYR 194 Cb 0.32 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.64 3f6i n TYR 194 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3f6i n GLY 195 N 1.15 0.51 3.73 2.72 0.00 0.02 -5.02 105.19 108.30 3f6i n GLY 195 Ca 0.17 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 3f6i n GLY 195 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f6i s GLU 196 N -2.14 4.25 -0.71 1.61 2.02 -1.26 -4.76 118.70 117.72 3f6i s GLU 196 Ca 0.00 0.16 -0.25 0.00 0.02 0.00 0.00 54.97 54.90 3f6i s GLU 196 Cb 0.00 -3.42 0.05 0.00 0.10 0.00 0.00 34.13 30.86 3f6i s GLU 196 CO 0.00 0.24 1.15 -1.17 0.02 0.00 0.00 175.26 175.50 3f6i s LEU 197 N 0.45 3.69 0.23 1.80 0.20 -1.26 -0.96 118.68 122.82 3f6i s LEU 197 Ca 0.18 -0.70 0.09 0.00 0.69 0.00 0.00 54.13 54.39 3f6i s LEU 197 Cb -0.13 -2.50 -0.04 0.00 -0.43 0.00 0.00 46.19 43.08 3f6i s LEU 197 CO 0.05 -1.66 -0.05 0.00 -0.29 0.00 0.00 176.35 174.40 3f6i s GLN 198 N 5.01 2.17 -0.24 1.98 -2.07 0.22 -4.83 119.66 121.90 3f6i s GLN 198 Ca 0.30 -1.36 -0.10 0.00 -1.82 0.00 0.00 55.36 52.38 3f6i s GLN 198 Cb -0.12 -2.15 -0.05 0.00 -1.09 0.00 0.00 33.01 29.61 3f6i s GLN 198 CO 0.12 0.39 0.14 0.99 -1.32 0.00 0.00 175.29 175.62 3f6i s THR 199 N -2.06 5.21 -0.02 3.63 2.01 -1.26 -1.04 115.64 122.09 3f6i s THR 199 Ca 0.29 0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.47 3f6i s THR 199 Cb -0.07 -3.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.00 3f6i s THR 199 CO 0.18 0.36 -0.19 0.26 -0.69 0.00 0.00 174.62 174.53 3f6i s TRP 200 N 1.04 1.79 -0.20 4.92 0.52 -0.61 -4.98 118.94 121.43 3f6i s TRP 200 Ca 0.07 -0.40 -0.20 0.00 0.02 0.00 0.00 56.10 55.59 3f6i s TRP 200 Cb -0.14 -1.17 -0.03 0.00 -1.15 0.00 0.00 33.47 30.99 3f6i s TRP 200 CO 0.04 -0.08 0.59 -0.08 0.02 0.00 0.00 176.95 177.44 3f6i s THR 201 N -0.32 5.05 0.60 2.01 -1.32 -1.26 -0.37 115.64 120.03 3f6i s THR 201 Ca 0.04 1.10 0.01 0.00 -1.21 0.00 0.00 61.69 61.63 3f6i s THR 201 Cb -0.09 -3.91 0.12 0.00 -1.51 0.00 0.00 72.50 67.11 3f6i s THR 201 CO 0.00 0.13 0.82 2.30 -2.21 0.00 0.00 174.62 175.67 3f6i n ILE 202 N 4.65 0.00 -1.84 5.08 -6.64 -0.92 -4.44 119.36 115.25 3f6i n ILE 202 Ca -0.03 -1.37 -0.13 0.00 -1.77 0.00 0.00 62.75 59.46 3f6i n ILE 202 Cb 0.50 -0.92 -0.03 0.00 -1.44 0.00 0.00 39.64 37.76 3f6i n ILE 202 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 3f6i n ASN 203 N -2.85 -4.24 -4.71 7.28 5.15 0.50 -4.95 115.26 111.44 3f6i n ASN 203 Ca 0.14 0.14 -0.42 0.00 -0.60 0.00 0.00 54.58 53.84 3f6i n ASN 203 Cb 0.50 -3.17 -0.03 0.00 -0.53 0.00 0.00 39.78 36.55 3f6i n ASN 203 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3f6i s LYS 204 N -3.91 4.47 0.00 1.20 -0.14 0.44 -4.98 119.74 116.82 3f6i s LYS 204 Ca 0.00 1.63 0.21 0.00 -1.36 0.00 0.00 55.97 56.44 3f6i s LYS 204 Cb 0.00 -3.41 1.25 0.00 -1.68 0.00 0.00 37.83 33.99 3f6i s LYS 204 CO 0.00 -0.20 1.63 0.36 -0.76 0.00 0.00 175.35 176.38