#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fkl s ARG 5 N 0.00 4.42 0.89 3.44 3.52 -1.26 -5.04 118.95 124.92 3fkl s ARG 5 Ca 0.00 1.74 -0.11 0.00 -0.13 0.00 0.00 55.73 57.23 3fkl s ARG 5 Cb 0.00 -3.39 0.13 0.00 -1.56 0.00 0.00 34.95 30.12 3fkl s ARG 5 CO 0.00 -0.29 1.10 -1.25 -0.81 0.00 0.00 175.30 174.05 3fkl s PRO 6 N 1.28 1.30 0.07 5.12 0.04 -1.26 -5.03 135.00 136.52 3fkl s PRO 6 Ca 0.58 1.06 -0.26 0.00 0.04 0.00 0.00 61.00 62.42 3fkl s PRO 6 Cb -0.28 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 3fkl s PRO 6 CO 0.28 -2.28 0.82 0.99 0.04 0.00 0.00 177.00 176.85 3fkl s THR 7 N -2.83 4.64 0.05 1.26 2.01 -1.26 -4.99 115.64 114.52 3fkl s THR 7 Ca 0.64 1.75 0.01 0.00 0.31 0.00 0.00 61.69 64.41 3fkl s THR 7 Cb -0.19 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 3fkl s THR 7 CO 0.58 0.37 0.10 -0.36 -0.69 0.00 0.00 174.62 174.61 3fkl s PHE 8 N -0.14 3.27 0.10 4.92 0.40 -1.26 -1.19 117.98 124.07 3fkl s PHE 8 Ca 0.40 0.14 0.07 0.00 -0.60 0.00 0.00 56.93 56.95 3fkl s PHE 8 Cb -0.21 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 3fkl s PHE 8 CO 0.25 0.54 -0.17 1.52 0.70 0.00 0.00 175.22 178.06 3fkl s TYR 9 N -1.35 1.53 0.08 0.36 -0.85 -0.58 -4.91 117.35 111.63 3fkl s TYR 9 Ca 0.28 -0.45 0.03 0.00 -0.52 0.00 0.00 57.07 56.41 3fkl s TYR 9 Cb -0.12 -0.83 -0.04 0.00 0.38 0.00 0.00 41.96 41.34 3fkl s TYR 9 CO 0.20 0.15 0.08 1.03 -1.52 0.00 0.00 175.55 175.49 3fkl s ARG 10 N -1.98 2.88 -0.19 -3.49 0.52 -1.26 -2.31 118.95 113.12 3fkl s ARG 10 Ca 0.04 -0.69 -0.28 0.00 -0.52 0.00 0.00 55.73 54.29 3fkl s ARG 10 Cb -0.09 -2.73 0.09 0.00 0.52 0.00 0.00 34.95 32.74 3fkl s ARG 10 CO 0.03 0.57 0.82 -1.14 0.02 0.00 0.00 175.30 175.60 3fkl s GLN 11 N -2.36 0.80 -0.19 3.54 0.74 -0.55 -5.00 119.66 116.64 3fkl s GLN 11 Ca 0.29 0.55 -0.09 0.00 0.05 0.00 0.00 55.36 56.15 3fkl s GLN 11 Cb -0.12 0.38 -0.05 0.00 1.10 0.00 0.00 33.01 34.32 3fkl s GLN 11 CO 0.22 -0.18 0.13 -2.00 -0.55 0.00 0.00 175.29 172.91 3fkl s GLU 12 N -0.39 4.06 0.10 1.67 2.12 -1.26 0.49 118.70 125.50 3fkl s GLU 12 Ca -0.03 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.09 3fkl s GLU 12 Cb -0.03 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 30.99 3fkl s GLU 12 CO 0.02 0.38 0.00 1.28 -0.54 0.00 0.00 175.26 176.40 3fkl n LEU 13 N 3.27 0.34 -3.28 2.70 4.77 -0.66 -4.92 117.00 119.23 3fkl n LEU 13 Ca -0.17 0.17 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 3fkl n LEU 13 Cb 0.52 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 3fkl n LEU 13 CO 0.36 -0.66 0.38 0.59 -1.33 0.00 0.00 177.39 176.73 3fkl n ASN 14 N -3.08 4.80 -2.77 -1.43 5.03 -1.26 -4.80 115.26 111.75 3fkl n ASN 14 Ca 0.00 -3.59 -0.16 0.00 0.87 0.00 0.00 54.58 51.70 3fkl n ASN 14 Cb 0.00 -0.74 -0.00 0.00 -1.02 0.00 0.00 39.78 38.02 3fkl n ASN 14 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3fkl n LYS 15 N 0.27 -2.79 -3.83 3.52 4.76 -1.26 -4.96 118.16 113.87 3fkl n LYS 15 Ca 0.32 0.56 -0.11 0.00 -2.87 0.00 0.00 58.31 56.21 3fkl n LYS 15 Cb 0.37 -5.21 -0.08 0.00 -1.84 0.00 0.00 35.03 28.27 3fkl n LYS 15 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3fkl s THR 16 N -2.73 0.10 -0.44 -0.18 2.01 -1.26 -5.12 115.64 108.01 3fkl s THR 16 Ca 0.15 -0.79 -0.22 0.00 0.31 0.00 0.00 61.69 61.14 3fkl s THR 16 Cb -0.08 -0.82 0.02 0.00 0.01 0.00 0.00 72.50 71.64 3fkl s THR 16 CO 0.18 -0.43 0.72 -0.63 -0.69 0.00 0.00 174.62 173.77 3fkl s ILE 17 N -2.26 4.73 -0.15 1.82 1.01 -1.26 -1.66 121.20 123.43 3fkl s ILE 17 Ca -0.07 0.33 -0.23 0.00 0.00 0.00 0.00 60.65 60.68 3fkl s ILE 17 Cb -0.02 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 3fkl s ILE 17 CO -0.02 -0.65 0.70 0.26 0.00 0.00 0.00 174.94 175.23 3fkl s TRP 18 N 3.08 3.45 -0.28 3.97 0.52 0.18 -4.90 118.94 124.95 3fkl s TRP 18 Ca 0.27 1.10 0.01 0.00 0.02 0.00 0.00 56.10 57.50 3fkl s TRP 18 Cb -0.13 -2.85 0.06 0.00 -1.15 0.00 0.00 33.47 29.40 3fkl s TRP 18 CO 0.21 -0.10 -0.05 -2.00 0.02 0.00 0.00 176.95 175.03 3fkl s GLU 19 N 1.61 2.30 0.12 4.98 2.12 -1.26 -1.48 118.70 127.08 3fkl s GLU 19 Ca 0.34 -1.34 0.05 0.00 0.36 0.00 0.00 54.97 54.38 3fkl s GLU 19 Cb -0.16 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 3fkl s GLU 19 CO 0.13 -0.62 -0.13 0.14 -0.54 0.00 0.00 175.26 174.25 3fkl s VAL 20 N 1.17 1.22 0.61 3.70 -7.23 -0.98 -4.63 120.40 114.26 3fkl s VAL 20 Ca -0.06 -1.71 -0.19 0.00 -1.81 0.00 0.00 61.98 58.20 3fkl s VAL 20 Cb -0.20 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 3fkl s VAL 20 CO -0.03 -0.47 1.33 -2.84 -0.31 0.00 0.00 175.10 172.78 3fkl s PRO 21 N -2.76 2.77 0.45 4.82 0.02 -1.26 -1.53 135.00 137.51 3fkl s PRO 21 Ca 0.08 2.15 0.23 0.00 0.02 0.00 0.00 61.00 63.48 3fkl s PRO 21 Cb -0.04 -2.01 1.21 0.00 0.02 0.00 0.00 34.50 33.69 3fkl s PRO 21 CO 0.02 -1.46 1.83 0.93 -0.33 0.00 0.00 177.00 177.99 3fkl h GLU 22 N 0.90 0.28 -0.49 5.54 5.08 -1.50 -1.74 114.58 122.64 3fkl h GLU 22 Ca -0.51 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 57.97 3fkl h GLU 22 Cb 1.32 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3fkl h GLU 22 CO 0.55 0.18 0.39 0.07 -1.00 0.00 0.00 179.01 179.20 3fkl h ARG 23 N 0.28 0.00 -5.30 2.33 0.11 -1.90 -3.38 114.38 106.52 3fkl h ARG 23 Ca 0.51 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.96 3fkl h ARG 23 Cb 1.50 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.44 3fkl h ARG 23 CO -0.17 0.00 -0.02 0.71 0.10 0.00 0.00 179.97 180.59 3fkl s TYR 24 N -4.89 3.20 0.29 4.08 1.51 -0.66 -0.51 117.35 120.37 3fkl s TYR 24 Ca -0.05 0.35 0.09 0.00 -1.01 0.00 0.00 57.07 56.45 3fkl s TYR 24 Cb 0.18 -2.88 -0.06 0.00 -0.11 0.00 0.00 41.96 39.10 3fkl s TYR 24 CO 0.68 -0.46 -0.12 -0.65 -1.11 0.00 0.00 175.55 173.89 3fkl s GLN 25 N 2.40 1.62 -1.27 -0.62 -1.52 -0.37 -4.85 119.66 115.04 3fkl s GLN 25 Ca 0.20 -1.79 -0.01 0.00 -1.95 0.00 0.00 55.36 51.81 3fkl s GLN 25 Cb -0.15 -1.45 0.00 0.00 -0.22 0.00 0.00 33.01 31.19 3fkl s GLN 25 CO 0.12 0.16 0.85 0.09 -0.25 0.00 0.00 175.29 176.26 3fkl n ASN 26 N -0.62 -1.81 -4.72 5.90 3.02 -1.26 -0.98 115.26 114.80 3fkl n ASN 26 Ca -0.06 -0.73 -0.42 0.00 -0.03 0.00 0.00 54.58 53.35 3fkl n ASN 26 Cb 0.62 -4.53 -0.03 0.00 -0.61 0.00 0.00 39.78 35.23 3fkl n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fkl s LEU 27 N -6.58 4.38 -0.06 3.41 1.02 -1.26 -4.46 118.68 115.12 3fkl s LEU 27 Ca 0.04 2.36 -0.03 0.00 0.02 0.00 0.00 54.13 56.53 3fkl s LEU 27 Cb -0.02 -3.59 0.04 0.00 0.02 0.00 0.00 46.19 42.64 3fkl s LEU 27 CO 0.78 -0.63 0.13 -0.55 0.02 0.00 0.00 176.35 176.10 3fkl s SER 28 N 0.92 0.12 0.24 2.29 0.15 -0.14 -4.96 113.70 112.33 3fkl s SER 28 Ca 0.63 0.27 -0.31 0.00 0.70 0.00 0.00 55.95 57.24 3fkl s SER 28 Cb -0.37 0.17 -0.12 0.00 -1.71 0.00 0.00 66.02 63.98 3fkl s SER 28 CO 0.32 -0.17 1.57 -2.65 1.20 0.00 0.00 173.24 173.52 3fkl n PRO 29 N 4.47 2.47 0.00 5.44 -0.02 -1.26 0.43 135.00 146.53 3fkl n PRO 29 Ca -0.21 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3fkl n PRO 29 Cb 0.51 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 3fkl n PRO 29 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3fkl n VAL 30 N 2.66 0.38 0.00 -1.45 0.24 -0.15 -4.78 118.33 115.22 3fkl n VAL 30 Ca 0.12 -0.66 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 3fkl n VAL 30 Cb 0.34 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.56 3fkl n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fkl n GLY 31 N -0.19 0.45 3.84 7.63 0.00 -1.18 -4.96 105.19 110.78 3fkl n GLY 31 Ca 0.00 -2.29 -0.33 0.00 0.00 0.00 0.00 46.02 43.40 3fkl n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fkl s SER 32 N -4.00 6.84 0.02 1.61 1.04 -1.26 -0.18 113.70 117.76 3fkl s SER 32 Ca 0.00 1.46 0.00 0.00 0.48 0.00 0.00 55.95 57.89 3fkl s SER 32 Cb 0.00 -2.45 -0.00 0.00 0.10 0.00 0.00 66.02 63.67 3fkl s SER 32 CO 0.00 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.55 3fkl n GLY 33 N -0.51 4.13 3.64 7.32 0.00 0.81 -4.74 105.19 115.84 3fkl n GLY 33 Ca 0.05 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 3fkl n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fkl s ALA 34 N -2.04 3.42 -1.20 4.61 0.00 -1.26 -3.53 121.76 121.77 3fkl s ALA 34 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.11 3fkl s ALA 34 Cb 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3fkl s ALA 34 CO 0.00 -1.65 0.00 0.66 0.00 0.00 0.00 175.76 174.77 3fkl n TYR 35 N 7.40 -0.63 0.00 0.00 4.01 -1.26 -4.94 117.16 121.74 3fkl n TYR 35 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 3fkl n TYR 35 Cb 0.46 -2.96 0.00 0.00 -0.31 0.00 0.00 39.34 36.54 3fkl n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fkl n GLY 36 N -1.03 1.42 3.94 2.72 0.00 -1.23 -1.69 105.19 109.32 3fkl n GLY 36 Ca -0.16 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.65 3fkl n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fkl s SER 37 N 0.00 6.29 -0.06 1.61 1.04 -1.20 -0.13 113.70 121.25 3fkl s SER 37 Ca 0.00 0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.63 3fkl s SER 37 Cb 0.00 -1.88 -0.01 0.00 0.10 0.00 0.00 66.02 64.23 3fkl s SER 37 CO 0.00 0.04 -0.23 -0.69 0.98 0.00 0.00 173.24 173.33 3fkl s VAL 38 N -1.77 2.21 -0.03 5.02 1.01 0.74 -2.30 120.40 125.28 3fkl s VAL 38 Ca 0.34 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.38 3fkl s VAL 38 Cb -0.11 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 3fkl s VAL 38 CO 0.28 0.57 -0.24 0.00 0.00 0.00 0.00 175.10 175.71 3fkl s ALA 40 N -0.55 3.03 0.19 0.00 0.00 0.17 0.28 121.76 124.87 3fkl s ALA 40 Ca 0.08 0.50 -0.17 0.00 0.00 0.00 0.00 51.96 52.37 3fkl s ALA 40 Cb -0.11 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.85 3fkl s ALA 40 CO -0.00 -0.01 0.51 0.00 0.00 0.00 0.00 175.76 176.25 3fkl s ALA 41 N -2.00 -0.92 -0.27 0.00 0.00 -0.32 -0.97 121.76 117.28 3fkl s ALA 41 Ca 0.61 -0.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.28 3fkl s ALA 41 Cb -0.13 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 3fkl s ALA 41 CO 0.18 -0.78 0.11 0.12 0.00 0.00 0.00 175.76 175.38 3fkl s PHE 42 N -3.87 3.13 -0.56 0.00 5.36 -0.15 -0.73 117.98 121.16 3fkl s PHE 42 Ca 0.09 -0.48 -0.25 0.00 -0.96 0.00 0.00 56.93 55.33 3fkl s PHE 42 Cb -0.01 -2.29 0.04 0.00 -0.34 0.00 0.00 43.02 40.43 3fkl s PHE 42 CO -0.04 -0.39 1.00 0.34 -1.46 0.00 0.00 175.22 174.66 3fkl s ASP 43 N 1.62 6.35 0.55 6.13 2.15 -0.09 -1.24 116.67 132.14 3fkl s ASP 43 Ca 0.06 -0.29 0.33 0.00 0.43 0.00 0.00 52.55 53.08 3fkl s ASP 43 Cb -0.16 -2.46 1.57 0.00 -0.30 0.00 0.00 42.92 41.57 3fkl s ASP 43 CO 0.05 -1.29 2.08 0.71 -0.17 0.00 0.00 175.17 176.55 3fkl h THR 44 N 6.04 0.26 -0.02 1.71 1.35 -1.10 0.19 112.91 121.35 3fkl h THR 44 Ca -0.26 -0.48 -0.21 0.00 -0.55 0.00 0.00 66.41 64.91 3fkl h THR 44 Cb 1.07 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3fkl h THR 44 CO 1.11 0.07 -0.86 0.11 -0.25 0.00 0.00 175.52 175.69 3fkl h LYS 45 N 0.00 0.33 0.00 4.72 1.79 -1.91 -3.37 116.57 118.14 3fkl h LYS 45 Ca -0.00 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 3fkl h LYS 45 Cb 0.37 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3fkl h LYS 45 CO 0.01 1.02 -0.88 0.25 -1.08 0.00 0.00 179.45 178.77 3fkl n THR 46 N -3.74 0.00 -1.02 -0.16 -2.24 -1.09 -5.00 114.28 101.02 3fkl n THR 46 Ca -0.05 -0.24 -0.01 0.00 -2.27 0.00 0.00 64.05 61.48 3fkl n THR 46 Cb 0.79 0.63 -0.00 0.00 -2.10 0.00 0.00 70.33 69.65 3fkl n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fkl n GLY 47 N 1.70 0.47 3.88 3.38 0.00 0.65 -5.03 105.19 110.24 3fkl n GLY 47 Ca -0.00 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 3fkl n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fkl s LEU 48 N -0.19 4.27 -0.05 0.99 1.43 -1.21 -4.90 118.68 119.02 3fkl s LEU 48 Ca 0.00 0.79 -0.27 0.00 -1.03 0.00 0.00 54.13 53.63 3fkl s LEU 48 Cb 0.00 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.89 3fkl s LEU 48 CO 0.00 0.06 0.85 -0.13 0.23 0.00 0.00 176.35 177.36 3fkl s ARG 49 N -2.38 4.47 0.21 1.70 0.52 -1.26 -0.92 118.95 121.30 3fkl s ARG 49 Ca 0.40 1.15 0.09 0.00 -0.52 0.00 0.00 55.73 56.85 3fkl s ARG 49 Cb -0.13 -3.47 -0.05 0.00 0.52 0.00 0.00 34.95 31.83 3fkl s ARG 49 CO 0.21 -0.04 -0.17 0.14 0.02 0.00 0.00 175.30 175.45 3fkl s VAL 50 N 1.09 1.97 -0.19 3.52 -7.23 0.09 -2.23 120.40 117.42 3fkl s VAL 50 Ca 0.44 -2.19 -0.07 0.00 -1.81 0.00 0.00 61.98 58.35 3fkl s VAL 50 Cb -0.19 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 3fkl s VAL 50 CO 0.22 -0.46 0.06 0.00 -0.31 0.00 0.00 175.10 174.60 3fkl s ALA 51 N -2.58 3.36 -0.22 1.32 0.00 0.29 -1.17 121.76 122.75 3fkl s ALA 51 Ca 0.23 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 3fkl s ALA 51 Cb -0.03 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.19 3fkl s ALA 51 CO 0.09 0.11 -0.10 0.08 0.00 0.00 0.00 175.76 175.93 3fkl s VAL 52 N 0.51 2.66 -0.24 0.00 1.01 0.14 -1.13 120.40 123.35 3fkl s VAL 52 Ca 0.03 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 3fkl s VAL 52 Cb -0.13 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 3fkl s VAL 52 CO 0.01 0.32 0.09 -0.75 0.00 0.00 0.00 175.10 174.77 3fkl s LYS 53 N 1.32 3.77 -0.30 2.72 2.20 0.58 -0.23 119.74 129.80 3fkl s LYS 53 Ca 0.02 -0.42 -0.18 0.00 -0.36 0.00 0.00 55.97 55.03 3fkl s LYS 53 Cb -0.15 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 3fkl s LYS 53 CO -0.07 -0.08 0.50 0.21 -0.36 0.00 0.00 175.35 175.55 3fkl s LYS 54 N 1.35 3.87 0.14 4.03 2.20 -0.97 -0.45 119.74 129.91 3fkl s LYS 54 Ca 0.05 0.08 -0.31 0.00 -0.36 0.00 0.00 55.97 55.43 3fkl s LYS 54 Cb -0.15 -3.72 -0.09 0.00 -1.51 0.00 0.00 37.83 32.37 3fkl s LYS 54 CO 0.04 -0.47 1.42 -0.51 -0.36 0.00 0.00 175.35 175.47 3fkl s LEU 55 N 2.32 4.38 -0.20 5.43 1.43 -0.45 -3.24 118.68 128.36 3fkl s LEU 55 Ca 0.19 2.42 -0.23 0.00 -1.03 0.00 0.00 54.13 55.48 3fkl s LEU 55 Cb -0.16 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 3fkl s LEU 55 CO 0.11 -0.68 0.73 -0.94 0.23 0.00 0.00 176.35 175.81 3fkl s SER 56 N 0.98 6.79 -0.62 2.29 1.04 -0.68 -4.36 113.70 119.13 3fkl s SER 56 Ca 0.64 0.97 -0.10 0.00 0.48 0.00 0.00 55.95 57.95 3fkl s SER 56 Cb -0.38 -2.40 0.02 0.00 0.10 0.00 0.00 66.02 63.35 3fkl s SER 56 CO 0.32 -0.36 0.53 0.54 0.98 0.00 0.00 173.24 175.25 3fkl n ARG 57 N 5.32 -1.43 0.21 4.02 3.00 -1.26 -4.85 116.66 121.67 3fkl n ARG 57 Ca 0.02 0.81 0.15 0.00 -0.01 0.00 0.00 57.85 58.81 3fkl n ARG 57 Cb 0.49 -1.84 0.57 0.00 0.00 0.00 0.00 32.46 31.67 3fkl n ARG 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 3fkl h PRO 58 N 0.45 0.00 0.00 5.56 0.13 -1.79 -3.28 132.00 133.07 3fkl h PRO 58 Ca -0.54 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.54 3fkl h PRO 58 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 3fkl h PRO 58 CO 0.28 0.00 -0.57 1.19 -0.23 0.00 0.00 178.00 178.67 3fkl n PHE 59 N -2.70 0.00 0.16 1.56 3.01 -1.26 -2.39 117.46 115.84 3fkl n PHE 59 Ca 0.02 -0.94 0.03 0.00 1.01 0.00 0.00 57.45 57.57 3fkl n PHE 59 Cb 0.29 -0.18 0.21 0.00 -0.01 0.00 0.00 39.48 39.79 3fkl n PHE 59 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 3fkl h GLN 60 N 0.71 0.00 -4.32 -1.08 3.07 -1.92 -3.46 115.11 108.11 3fkl h GLN 60 Ca -0.07 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.49 3fkl h GLN 60 Cb 1.31 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 28.73 3fkl h GLN 60 CO 0.03 0.48 -0.49 -1.54 0.09 0.00 0.00 178.83 177.40 3fkl s SER 61 N -6.50 0.11 0.21 0.06 1.04 -1.26 -5.02 113.70 102.34 3fkl s SER 61 Ca 0.01 -1.24 -0.09 0.00 0.48 0.00 0.00 55.95 55.11 3fkl s SER 61 Cb 0.10 0.42 0.23 0.00 0.10 0.00 0.00 66.02 66.87 3fkl s SER 61 CO 0.72 -0.90 1.84 0.40 0.98 0.00 0.00 173.24 176.28 3fkl h ILE 62 N 2.56 1.05 -0.27 -1.02 2.04 -1.94 0.14 117.51 120.06 3fkl h ILE 62 Ca -0.33 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.26 3fkl h ILE 62 Cb 1.24 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3fkl h ILE 62 CO 0.50 0.15 0.14 0.40 0.00 0.00 0.00 178.15 179.33 3fkl h ILE 63 N 0.83 1.00 -0.42 -0.67 1.08 -1.98 -0.48 117.51 116.87 3fkl h ILE 63 Ca 0.30 -0.10 -0.07 0.00 -0.39 0.00 0.00 64.86 64.61 3fkl h ILE 63 Cb 0.10 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 3fkl h ILE 63 CO -0.14 0.05 0.00 0.45 -0.69 0.00 0.00 178.15 177.82 3fkl h HIS 64 N 0.29 0.80 -0.62 1.37 3.86 -1.73 -2.21 115.15 116.91 3fkl h HIS 64 Ca 0.11 -0.14 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 3fkl h HIS 64 Cb 0.03 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 3fkl h HIS 64 CO -0.09 0.80 0.09 0.00 0.86 0.00 0.00 177.93 179.59 3fkl h ALA 65 N 0.89 0.83 -0.35 2.45 0.00 -0.36 -0.68 119.26 122.05 3fkl h ALA 65 Ca 0.12 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3fkl h ALA 65 Cb 0.48 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3fkl h ALA 65 CO 0.02 0.60 -0.31 -0.22 0.00 0.00 0.00 179.25 179.34 3fkl h LYS 66 N 0.95 0.76 0.00 0.00 3.64 -1.08 -2.05 116.57 118.79 3fkl h LYS 66 Ca 0.19 -0.35 -0.14 0.00 -1.27 0.00 0.00 60.65 59.09 3fkl h LYS 66 Cb 0.44 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 3fkl h LYS 66 CO 0.01 0.96 -0.65 0.07 -2.27 0.00 0.00 179.45 177.58 3fkl h ARG 67 N 0.64 0.00 -0.03 1.90 0.11 -1.18 0.12 114.38 115.94 3fkl h ARG 67 Ca 0.07 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.15 3fkl h ARG 67 Cb 0.83 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.91 3fkl h ARG 67 CO 0.07 0.65 0.00 1.15 0.10 0.00 0.00 179.97 181.94 3fkl h THR 68 N 0.00 1.22 -0.48 0.08 2.02 -1.01 -0.71 112.91 114.03 3fkl h THR 68 Ca -0.01 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.55 3fkl h THR 68 Cb 1.21 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 69.19 3fkl h THR 68 CO 0.08 0.17 0.28 0.22 0.37 0.00 0.00 175.52 176.65 3fkl h TYR 69 N -0.21 0.53 -0.10 3.16 3.20 -1.17 -2.15 116.97 120.23 3fkl h TYR 69 Ca 0.01 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.94 3fkl h TYR 69 Cb 0.28 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 3fkl h TYR 69 CO 0.02 0.31 -0.22 -0.09 -1.64 0.00 0.00 178.16 176.54 3fkl h ARG 70 N 0.57 -0.28 -0.18 1.82 2.43 -0.65 -0.88 114.38 117.21 3fkl h ARG 70 Ca 0.19 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3fkl h ARG 70 Cb 0.01 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3fkl h ARG 70 CO -0.08 -0.19 0.12 1.49 -1.51 0.00 0.00 179.97 179.79 3fkl h GLU 71 N -0.29 0.23 -0.56 0.20 4.81 -0.94 -1.39 114.58 116.64 3fkl h GLU 71 Ca 0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3fkl h GLU 71 Cb 0.43 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3fkl h GLU 71 CO -0.27 0.15 0.37 1.25 -0.73 0.00 0.00 179.01 179.78 3fkl h LEU 72 N 0.24 0.65 -0.68 1.64 5.85 -1.21 0.42 115.31 122.21 3fkl h LEU 72 Ca 0.06 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3fkl h LEU 72 Cb -0.03 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3fkl h LEU 72 CO -0.01 0.47 0.43 0.03 -0.34 0.00 0.00 178.44 179.02 3fkl h ARG 73 N 0.76 0.91 0.07 1.25 2.47 -1.01 -0.02 114.38 118.82 3fkl h ARG 73 Ca 0.21 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.85 3fkl h ARG 73 Cb -0.08 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.04 3fkl h ARG 73 CO -0.04 0.63 -0.03 -0.07 0.56 0.00 0.00 179.97 181.01 3fkl h LEU 74 N 0.93 -0.08 -0.64 3.04 3.38 -0.78 -2.34 115.31 118.82 3fkl h LEU 74 Ca 0.25 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3fkl h LEU 74 Cb -0.07 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3fkl h LEU 74 CO -0.05 0.00 0.29 -0.07 0.09 0.00 0.00 178.44 178.70 3fkl h LEU 75 N -0.15 0.85 -1.54 1.67 3.38 -0.72 -2.28 115.31 116.52 3fkl h LEU 75 Ca -0.01 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3fkl h LEU 75 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3fkl h LEU 75 CO 0.02 0.76 -0.21 0.11 0.09 0.00 0.00 178.44 179.20 3fkl h LYS 76 N 0.88 0.02 0.23 1.13 1.57 -0.96 -3.20 116.57 116.24 3fkl h LYS 76 Ca 0.22 -0.01 -0.34 0.00 -1.87 0.00 0.00 60.65 58.66 3fkl h LYS 76 Cb 0.15 -0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.49 3fkl h LYS 76 CO -0.02 0.24 -1.52 1.25 -0.57 0.00 0.00 179.45 178.82 3fkl h HIS 77 N 0.02 0.88 -3.02 -1.35 2.76 -0.99 -3.46 115.15 109.99 3fkl h HIS 77 Ca 0.00 -0.64 -0.57 0.00 -2.20 0.00 0.00 60.37 56.96 3fkl h HIS 77 Cb 0.39 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 3fkl h HIS 77 CO 0.00 1.56 1.05 -1.64 -1.30 0.00 0.00 177.93 177.60 3fkl s MET 78 N -2.60 3.79 -0.54 5.26 -1.94 -0.90 -4.95 119.30 117.43 3fkl s MET 78 Ca -0.10 1.34 0.04 0.00 -1.71 0.00 0.00 55.69 55.27 3fkl s MET 78 Cb 0.05 -3.97 0.17 0.00 2.01 0.00 0.00 34.83 33.08 3fkl s MET 78 CO 0.92 -1.29 0.40 0.15 -0.01 0.00 0.00 175.02 175.19 3fkl s LYS 79 N 4.54 1.58 -0.09 2.03 1.02 -1.26 -4.55 119.74 123.01 3fkl s LYS 79 Ca 0.63 -2.61 -0.13 0.00 0.02 0.00 0.00 55.97 53.89 3fkl s LYS 79 Cb -0.19 -2.33 0.03 0.00 -0.52 0.00 0.00 37.83 34.82 3fkl s LYS 79 CO 0.27 -1.33 0.32 -1.58 -0.92 0.00 0.00 175.35 172.12 3fkl s HIS 80 N -0.54 -0.30 0.46 3.18 2.46 -1.26 -5.06 115.29 114.23 3fkl s HIS 80 Ca 0.28 0.67 0.15 0.00 0.47 0.00 0.00 55.06 56.63 3fkl s HIS 80 Cb -0.02 0.11 1.10 0.00 -0.13 0.00 0.00 32.58 33.65 3fkl s HIS 80 CO -0.17 -0.25 2.01 0.93 -2.47 0.00 0.00 174.74 174.79 3fkl h GLU 81 N 5.00 0.29 -0.41 2.88 5.08 -1.98 -2.68 114.58 122.77 3fkl h GLU 81 Ca -0.28 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3fkl h GLU 81 Cb 1.18 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3fkl h GLU 81 CO 0.33 0.20 0.00 0.09 -1.00 0.00 0.00 179.01 178.63 3fkl n ASN 82 N -4.46 4.52 -3.88 1.42 5.03 -1.26 -4.68 115.26 111.95 3fkl n ASN 82 Ca 0.08 -2.86 -0.20 0.00 0.87 0.00 0.00 54.58 52.47 3fkl n ASN 82 Cb 0.35 -0.57 -0.16 0.00 -1.02 0.00 0.00 39.78 38.37 3fkl n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3fkl s VAL 83 N -2.57 0.49 0.20 2.41 1.01 -1.01 -0.91 120.40 120.02 3fkl s VAL 83 Ca 0.46 -0.09 -0.32 0.00 0.00 0.00 0.00 61.98 62.02 3fkl s VAL 83 Cb 0.35 -0.53 -0.14 0.00 0.00 0.00 0.00 36.38 36.06 3fkl s VAL 83 CO 0.13 0.22 1.43 0.00 0.00 0.00 0.00 175.10 176.88 3fkl n ILE 84 N 4.09 0.62 -4.46 2.22 0.13 -0.48 -4.47 119.36 117.01 3fkl n ILE 84 Ca -0.24 -0.16 -0.25 0.00 -1.10 0.00 0.00 62.75 61.00 3fkl n ILE 84 Cb 0.51 -1.40 -0.10 0.00 -0.84 0.00 0.00 39.64 37.81 3fkl n ILE 84 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 3fkl s GLY 85 N 0.45 2.00 -0.39 4.50 0.00 -1.26 -4.88 107.32 107.74 3fkl s GLY 85 Ca 0.72 -1.94 -0.18 0.00 0.00 0.00 0.00 44.72 43.33 3fkl s GLY 85 CO 0.46 -1.96 0.47 -2.27 0.00 0.00 0.00 173.10 169.81 3fkl s LEU 86 N -3.59 4.58 0.02 0.66 2.96 -1.25 -4.41 118.68 117.66 3fkl s LEU 86 Ca 0.32 -0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 3fkl s LEU 86 Cb -0.02 -2.48 -0.27 0.00 0.50 0.00 0.00 46.19 43.92 3fkl s LEU 86 CO 0.17 -0.53 0.94 -0.07 -1.32 0.00 0.00 176.35 175.53 3fkl h LEU 87 N 9.09 0.34 -7.00 -0.68 3.38 -1.18 -3.41 115.31 115.85 3fkl h LEU 87 Ca -0.27 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.21 3fkl h LEU 87 Cb 1.12 -0.11 -0.18 0.00 0.09 0.00 0.00 40.66 41.58 3fkl h LEU 87 CO 0.78 1.37 0.23 -0.62 0.09 0.00 0.00 178.44 180.29 3fkl s ASP 88 N -6.94 -0.61 -0.02 -0.43 3.68 -1.10 -4.54 116.67 106.71 3fkl s ASP 88 Ca -0.07 0.53 0.00 0.00 2.13 0.00 0.00 52.55 55.15 3fkl s ASP 88 Cb 0.07 0.53 0.02 0.00 -1.45 0.00 0.00 42.92 42.09 3fkl s ASP 88 CO 0.85 -0.66 0.01 0.54 0.13 0.00 0.00 175.17 176.04 3fkl s VAL 89 N -1.75 0.03 0.06 1.11 0.11 -1.26 -0.49 120.40 118.21 3fkl s VAL 89 Ca -0.08 0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 59.07 3fkl s VAL 89 Cb -0.00 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.69 3fkl s VAL 89 CO 0.04 0.08 0.01 0.72 -3.33 0.00 0.00 175.10 172.62 3fkl s PHE 90 N 0.73 0.51 0.00 1.54 -0.12 -0.81 -4.98 117.98 114.85 3fkl s PHE 90 Ca -0.06 -1.02 0.01 0.00 -0.05 0.00 0.00 56.93 55.80 3fkl s PHE 90 Cb -0.09 -0.35 -0.00 0.00 -0.63 0.00 0.00 43.02 41.94 3fkl s PHE 90 CO -0.02 -0.42 -0.04 -0.08 -0.05 0.00 0.00 175.22 174.62 3fkl s THR 91 N -3.93 0.27 -0.43 -4.49 -1.32 -1.26 -1.82 115.64 102.66 3fkl s THR 91 Ca 0.09 -0.22 0.24 0.00 -1.21 0.00 0.00 61.69 60.59 3fkl s THR 91 Cb 0.08 -0.25 0.25 0.00 -1.51 0.00 0.00 72.50 71.07 3fkl s THR 91 CO -0.09 0.03 1.72 -0.81 -2.21 0.00 0.00 174.62 173.26 3fkl n PRO 92 N 2.87 0.20 -1.98 7.08 -0.04 -1.26 -4.84 135.00 137.03 3fkl n PRO 92 Ca -0.13 0.45 -0.41 0.00 -0.04 0.00 0.00 63.50 63.36 3fkl n PRO 92 Cb 0.59 -1.90 -0.02 0.00 -0.04 0.00 0.00 33.50 32.13 3fkl n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fkl s ALA 93 N -3.35 3.59 -0.98 0.55 0.00 -1.26 -4.93 121.76 115.37 3fkl s ALA 93 Ca 0.04 1.38 0.22 0.00 0.00 0.00 0.00 51.96 53.60 3fkl s ALA 93 Cb 0.09 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.68 3fkl s ALA 93 CO 0.38 -0.80 1.07 0.54 0.00 0.00 0.00 175.76 176.96 3fkl n ARG 94 N 1.45 0.02 -4.04 0.00 1.74 -1.26 -4.94 116.66 109.62 3fkl n ARG 94 Ca 0.04 -0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.01 3fkl n ARG 94 Cb 0.40 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.28 3fkl n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3fkl s SER 95 N -3.04 0.04 0.32 0.55 1.04 -1.26 -5.06 113.70 106.29 3fkl s SER 95 Ca 0.09 -1.07 0.03 0.00 0.48 0.00 0.00 55.95 55.48 3fkl s SER 95 Cb 0.16 0.56 0.53 0.00 0.10 0.00 0.00 66.02 67.37 3fkl s SER 95 CO 0.81 -1.10 1.83 0.25 0.98 0.00 0.00 173.24 176.01 3fkl h LEU 96 N 2.31 0.53 -0.98 2.42 5.85 -1.96 -2.21 115.31 121.27 3fkl h LEU 96 Ca -0.28 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.23 3fkl h LEU 96 Cb 1.25 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3fkl h LEU 96 CO 0.39 0.63 -0.44 1.05 -0.34 0.00 0.00 178.44 179.73 3fkl h GLU 97 N 0.52 0.00 0.00 1.25 9.09 -2.01 -2.68 114.58 120.75 3fkl h GLU 97 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.52 3fkl h GLU 97 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 3fkl h GLU 97 CO 0.02 0.44 -0.54 0.93 0.05 0.00 0.00 179.01 179.91 3fkl h GLU 98 N 0.00 0.00 -6.27 1.06 5.08 -1.93 -3.47 114.58 109.05 3fkl h GLU 98 Ca -0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3fkl h GLU 98 Cb 0.89 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.15 3fkl h GLU 98 CO 0.06 0.00 1.25 0.12 -1.00 0.00 0.00 179.01 179.44 3fkl s PHE 99 N -3.21 1.44 0.00 4.33 5.36 -0.85 -4.77 117.98 120.27 3fkl s PHE 99 Ca 0.05 -0.10 0.00 0.00 -0.96 0.00 0.00 56.93 55.92 3fkl s PHE 99 Cb 0.11 -4.12 0.00 0.00 -0.34 0.00 0.00 43.02 38.67 3fkl s PHE 99 CO 0.71 -4.83 0.00 -1.71 -1.46 0.00 0.00 175.22 167.94 3fkl n ASN 100 N 8.30 0.00 -4.31 6.13 5.15 -1.26 -5.03 115.26 124.23 3fkl n ASN 100 Ca 0.21 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.90 3fkl n ASN 100 Cb 0.42 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.52 3fkl n ASN 100 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3fkl s ASP 101 N -0.43 2.98 -0.09 1.20 1.11 -1.26 -4.49 116.67 115.69 3fkl s ASP 101 Ca 0.00 -0.54 0.03 0.00 0.18 0.00 0.00 52.55 52.21 3fkl s ASP 101 Cb 0.00 -0.28 0.01 0.00 1.07 0.00 0.00 42.92 43.72 3fkl s ASP 101 CO 0.00 0.25 -0.16 -0.69 1.18 0.00 0.00 175.17 175.75 3fkl s VAL 102 N -0.75 1.49 -0.06 -1.27 1.01 -1.26 -4.56 120.40 115.01 3fkl s VAL 102 Ca 0.10 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.47 3fkl s VAL 102 Cb -0.10 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3fkl s VAL 102 CO 0.01 0.44 -0.22 -0.31 0.00 0.00 0.00 175.10 175.02 3fkl s TYR 103 N 0.68 2.50 -0.09 5.22 1.51 -0.76 -1.34 117.35 125.08 3fkl s TYR 103 Ca -0.13 -0.56 0.04 0.00 -1.01 0.00 0.00 57.07 55.41 3fkl s TYR 103 Cb -0.16 -1.61 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 3fkl s TYR 103 CO 0.03 -0.11 -0.22 -0.51 -1.11 0.00 0.00 175.55 173.63 3fkl s LEU 104 N -0.31 2.02 -0.14 -1.29 1.43 0.40 -1.93 118.68 118.86 3fkl s LEU 104 Ca 0.01 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3fkl s LEU 104 Cb -0.13 -1.31 -0.00 0.00 0.03 0.00 0.00 46.19 44.78 3fkl s LEU 104 CO 0.02 0.15 -0.17 -0.69 0.23 0.00 0.00 176.35 175.89 3fkl s VAL 105 N 0.35 2.60 0.37 -1.59 1.01 0.36 -0.31 120.40 123.18 3fkl s VAL 105 Ca -0.17 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.04 3fkl s VAL 105 Cb -0.17 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 3fkl s VAL 105 CO 0.08 0.53 0.15 0.42 0.00 0.00 0.00 175.10 176.27 3fkl s THR 106 N 0.62 0.51 0.56 3.92 -4.23 -0.29 -0.56 115.64 116.17 3fkl s THR 106 Ca -0.09 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.21 3fkl s THR 106 Cb -0.16 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 3fkl s THR 106 CO 0.03 0.00 1.33 -1.00 -0.54 0.00 0.00 174.62 174.44 3fkl s HIS 107 N -3.35 2.28 -0.22 3.99 3.76 -1.26 -0.54 115.29 119.95 3fkl s HIS 107 Ca 0.30 1.40 -0.18 0.00 -0.15 0.00 0.00 55.06 56.43 3fkl s HIS 107 Cb 0.04 -3.75 -0.03 0.00 1.11 0.00 0.00 32.58 29.94 3fkl s HIS 107 CO 0.17 -2.82 0.49 -1.17 -0.85 0.00 0.00 174.74 170.56 3fkl s LEU 108 N -3.65 4.12 0.07 0.89 2.96 -0.95 -4.01 118.68 118.10 3fkl s LEU 108 Ca 0.73 0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 55.21 3fkl s LEU 108 Cb -0.39 -2.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.61 3fkl s LEU 108 CO 0.45 -0.19 0.24 -0.04 -1.32 0.00 0.00 176.35 175.50 3fkl s MET 109 N 1.76 3.48 0.31 1.98 -1.94 -1.26 -4.89 119.30 118.74 3fkl s MET 109 Ca 0.22 -0.34 0.05 0.00 -1.71 0.00 0.00 55.69 53.91 3fkl s MET 109 Cb -0.15 -3.01 0.51 0.00 2.01 0.00 0.00 34.83 34.18 3fkl s MET 109 CO 0.09 0.59 1.76 0.78 -0.01 0.00 0.00 175.02 178.23 3fkl h GLY 110 N 3.15 0.39 -1.55 -0.03 0.00 -1.89 -3.48 103.07 99.66 3fkl h GLY 110 Ca -0.46 -0.31 0.09 0.00 0.00 0.00 0.00 47.33 46.65 3fkl h GLY 110 CO 0.74 0.29 0.42 0.00 0.00 0.00 0.00 176.54 177.98 3fkl s ALA 111 N -4.46 -1.25 0.43 3.60 0.00 -0.77 -5.02 121.76 114.30 3fkl s ALA 111 Ca -0.06 -0.42 0.07 0.00 0.00 0.00 0.00 51.96 51.56 3fkl s ALA 111 Cb 0.14 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 3fkl s ALA 111 CO 0.77 -1.03 0.27 0.16 0.00 0.00 0.00 175.76 175.93 3fkl s ASP 112 N -3.16 4.67 0.52 0.00 3.84 -1.26 -0.45 116.67 120.83 3fkl s ASP 112 Ca 0.17 -0.98 0.22 0.00 -0.00 0.00 0.00 52.55 51.96 3fkl s ASP 112 Cb -0.04 -0.43 1.38 0.00 -1.38 0.00 0.00 42.92 42.46 3fkl s ASP 112 CO 0.07 -0.63 2.11 0.25 -0.00 0.00 0.00 175.17 176.97 3fkl h LEU 113 N 1.22 0.00 -0.51 2.11 5.85 -0.54 -1.33 115.31 122.11 3fkl h LEU 113 Ca -0.42 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.34 3fkl h LEU 113 Cb 1.26 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 3fkl h LEU 113 CO 0.64 0.09 0.27 0.78 -0.34 0.00 0.00 178.44 179.88 3fkl h ASN 114 N 0.00 0.40 -0.19 1.25 -0.26 -1.87 -1.72 115.58 113.20 3fkl h ASN 114 Ca -0.00 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.76 3fkl h ASN 114 Cb 0.19 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 3fkl h ASN 114 CO 0.01 0.27 0.12 0.78 -1.06 0.00 0.00 177.43 177.55 3fkl h ASN 115 N 0.53 0.23 0.43 5.81 -0.26 -1.61 -2.62 115.58 118.08 3fkl h ASN 115 Ca 0.22 -0.01 -0.31 0.00 -0.56 0.00 0.00 56.30 55.64 3fkl h ASN 115 Cb 0.11 -0.06 0.02 0.00 -1.06 0.00 0.00 38.32 37.34 3fkl h ASN 115 CO -0.15 0.17 -1.39 0.40 -1.06 0.00 0.00 177.43 175.41 3fkl h ILE 116 N 0.26 1.36 0.53 2.81 2.04 -1.43 -3.36 117.51 119.72 3fkl h ILE 116 Ca 0.07 -2.86 -0.03 0.00 1.00 0.00 0.00 64.86 63.04 3fkl h ILE 116 Cb -0.01 2.99 0.01 0.00 -0.74 0.00 0.00 36.82 39.06 3fkl h ILE 116 CO -0.01 0.85 -0.25 0.58 0.00 0.00 0.00 178.15 179.31 3fkl h VAL 117 N 0.11 0.45 -6.86 1.67 2.07 -1.01 -3.47 116.25 109.21 3fkl h VAL 117 Ca -0.21 -0.17 -0.43 0.00 0.82 0.00 0.00 66.70 66.71 3fkl h VAL 117 Cb 2.08 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 3fkl h VAL 117 CO 0.24 0.03 -0.78 2.29 0.02 0.00 0.00 177.57 179.36 3fkl n LYS 118 N -5.35 -0.64 -0.32 1.57 2.85 -1.02 -1.37 118.16 113.87 3fkl n LYS 118 Ca -0.12 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 3fkl n LYS 118 Cb 0.31 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 33.10 3fkl n LYS 118 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3fkl s GLN 120 N -0.65 2.04 0.82 0.00 -2.07 -0.47 -4.81 119.66 114.52 3fkl s GLN 120 Ca 0.00 -1.19 -0.11 0.00 -1.82 0.00 0.00 55.36 52.23 3fkl s GLN 120 Cb 0.00 -2.19 0.09 0.00 -1.09 0.00 0.00 33.01 29.82 3fkl s GLN 120 CO 0.00 0.46 1.14 0.15 -1.32 0.00 0.00 175.29 175.72 3fkl s LYS 121 N -2.57 1.67 0.30 9.60 1.02 -1.26 -4.27 119.74 124.23 3fkl s LYS 121 Ca 0.23 1.49 0.10 0.00 0.02 0.00 0.00 55.97 57.81 3fkl s LYS 121 Cb -0.10 -1.81 -0.05 0.00 -0.52 0.00 0.00 37.83 35.36 3fkl s LYS 121 CO 0.14 -2.13 -0.06 -0.51 -0.92 0.00 0.00 175.35 171.86 3fkl s LEU 122 N -6.03 2.92 0.57 3.17 1.02 -0.93 -4.96 118.68 114.44 3fkl s LEU 122 Ca 0.67 -0.89 -0.17 0.00 0.02 0.00 0.00 54.13 53.76 3fkl s LEU 122 Cb -0.22 -1.39 -0.05 0.00 0.02 0.00 0.00 46.19 44.55 3fkl s LEU 122 CO 0.54 -0.07 1.07 0.42 0.02 0.00 0.00 176.35 178.34 3fkl s THR 123 N -2.45 3.62 0.29 5.49 -4.23 -1.26 -4.82 115.64 112.28 3fkl s THR 123 Ca 0.32 0.86 -0.01 0.00 -1.18 0.00 0.00 61.69 61.68 3fkl s THR 123 Cb -0.04 -3.34 0.27 0.00 1.34 0.00 0.00 72.50 70.74 3fkl s THR 123 CO 0.18 -0.37 1.92 -0.78 -0.54 0.00 0.00 174.62 175.03 3fkl h ASP 124 N 0.76 0.95 -0.47 3.99 3.58 -1.99 -1.25 116.42 122.00 3fkl h ASP 124 Ca -0.48 -0.00 -0.09 0.00 0.42 0.00 0.00 57.03 56.88 3fkl h ASP 124 Cb 1.23 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 42.05 3fkl h ASP 124 CO 0.57 0.63 -0.04 -0.78 -2.88 0.00 0.00 179.24 176.74 3fkl h ASP 125 N 1.09 0.89 -0.54 2.28 3.58 -1.99 0.62 116.42 122.36 3fkl h ASP 125 Ca 0.38 -0.25 -0.07 0.00 0.42 0.00 0.00 57.03 57.51 3fkl h ASP 125 Cb 0.11 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 3fkl h ASP 125 CO -0.13 0.97 0.07 0.45 -2.88 0.00 0.00 179.24 177.72 3fkl h HIS 126 N 0.83 0.96 -0.57 0.28 3.86 -1.72 -1.13 115.15 117.67 3fkl h HIS 126 Ca 0.15 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3fkl h HIS 126 Cb 0.55 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 3fkl h HIS 126 CO 0.03 0.86 0.33 0.28 0.86 0.00 0.00 177.93 180.29 3fkl h VAL 127 N 0.78 1.18 -0.29 2.45 2.07 -1.07 -1.20 116.25 120.18 3fkl h VAL 127 Ca 0.16 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.31 3fkl h VAL 127 Cb 0.43 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 3fkl h VAL 127 CO 0.01 0.19 -0.02 1.56 0.02 0.00 0.00 177.57 179.33 3fkl h GLN 128 N 0.76 0.06 -0.40 1.57 4.20 -0.64 -1.48 115.11 119.19 3fkl h GLN 128 Ca 0.20 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.80 3fkl h GLN 128 Cb 0.01 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3fkl h GLN 128 CO -0.04 0.04 -0.16 0.35 -0.67 0.00 0.00 178.83 178.36 3fkl h PHE 129 N 0.06 0.93 -0.03 2.96 3.57 -1.02 -1.41 116.94 122.00 3fkl h PHE 129 Ca 0.14 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 3fkl h PHE 129 Cb 0.19 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 3fkl h PHE 129 CO -0.23 0.97 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.74 3fkl h LEU 130 N 0.62 0.06 -0.64 0.59 3.38 -1.11 -2.55 115.31 115.66 3fkl h LEU 130 Ca 0.09 -0.37 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 3fkl h LEU 130 Cb 0.70 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3fkl h LEU 130 CO 0.05 0.42 -0.12 0.40 0.09 0.00 0.00 178.44 179.28 3fkl h ILE 131 N -0.30 1.27 -0.49 1.22 1.08 -1.32 -2.19 117.51 116.78 3fkl h ILE 131 Ca 0.01 -1.25 0.09 0.00 -0.39 0.00 0.00 64.86 63.32 3fkl h ILE 131 Cb 0.39 1.00 -0.08 0.00 -3.07 0.00 0.00 36.82 35.07 3fkl h ILE 131 CO 0.00 0.44 0.04 0.22 -0.69 0.00 0.00 178.15 178.16 3fkl h TYR 132 N 0.84 0.04 -0.66 1.37 3.20 -1.26 -1.18 116.97 119.33 3fkl h TYR 132 Ca 0.13 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 3fkl h TYR 132 Cb 0.66 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 3fkl h TYR 132 CO 0.04 -0.07 0.15 1.96 -1.64 0.00 0.00 178.16 178.60 3fkl h GLN 133 N 0.16 1.06 -0.20 1.82 4.20 -1.15 -0.08 115.11 120.90 3fkl h GLN 133 Ca 0.24 -0.26 0.03 0.00 0.06 0.00 0.00 58.65 58.73 3fkl h GLN 133 Cb 0.35 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 3fkl h GLN 133 CO -0.37 0.95 0.02 0.82 -0.67 0.00 0.00 178.83 179.58 3fkl h ILE 134 N 0.98 0.89 -0.15 2.54 2.04 -1.02 -0.58 117.51 122.21 3fkl h ILE 134 Ca 0.20 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 65.93 3fkl h ILE 134 Cb 0.38 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3fkl h ILE 134 CO 0.00 0.02 -0.37 -0.07 0.00 0.00 0.00 178.15 177.73 3fkl h LEU 135 N 0.10 0.34 -0.30 1.44 3.38 -1.00 0.22 115.31 119.49 3fkl h LEU 135 Ca 0.09 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3fkl h LEU 135 Cb 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3fkl h LEU 135 CO -0.14 0.69 0.05 -0.09 0.09 0.00 0.00 178.44 179.04 3fkl h ARG 136 N 0.28 0.51 -0.48 1.13 2.43 -0.82 0.11 114.38 117.55 3fkl h ARG 136 Ca 0.03 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 3fkl h ARG 136 Cb 0.79 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 3fkl h ARG 136 CO 0.06 0.61 0.10 0.78 -1.51 0.00 0.00 179.97 180.01 3fkl h GLY 137 N 0.33 0.84 1.12 2.80 0.00 -0.78 -2.91 103.07 104.46 3fkl h GLY 137 Ca 0.09 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 3fkl h GLY 137 CO 0.01 0.50 0.19 1.41 0.00 0.00 0.00 176.54 178.64 3fkl h LEU 138 N 0.66 1.03 -0.27 3.11 3.38 -0.48 -1.33 115.31 121.41 3fkl h LEU 138 Ca 0.15 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.97 3fkl h LEU 138 Cb 0.35 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3fkl h LEU 138 CO 0.00 0.98 -0.09 0.50 0.09 0.00 0.00 178.44 179.93 3fkl h LYS 139 N 1.04 -0.03 0.28 1.13 3.64 -0.69 0.20 116.57 122.15 3fkl h LYS 139 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3fkl h LYS 139 Cb 0.34 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3fkl h LYS 139 CO -0.00 -0.02 -0.26 -0.92 -2.27 0.00 0.00 179.45 175.97 3fkl h TYR 140 N -0.03 -0.70 -0.25 1.91 3.20 -1.34 -1.01 116.97 118.75 3fkl h TYR 140 Ca 0.13 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.05 3fkl h TYR 140 Cb 0.23 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 3fkl h TYR 140 CO -0.28 -0.39 0.02 0.82 -1.64 0.00 0.00 178.16 176.69 3fkl h ILE 141 N -0.57 0.84 0.00 1.81 2.04 -1.01 -2.58 117.51 118.04 3fkl h ILE 141 Ca -0.01 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3fkl h ILE 141 Cb 0.52 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3fkl h ILE 141 CO -0.05 0.02 -0.25 0.45 0.00 0.00 0.00 178.15 178.33 3fkl h HIS 142 N 0.10 0.00 0.00 1.37 3.86 -0.53 -1.83 115.15 118.12 3fkl h HIS 142 Ca 0.12 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 3fkl h HIS 142 Cb 0.14 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 3fkl h HIS 142 CO -0.18 0.25 -0.09 0.66 0.86 0.00 0.00 177.93 179.42 3fkl h SER 143 N 0.00 0.00 -0.35 2.45 4.64 -0.77 -0.83 113.55 118.68 3fkl h SER 143 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fkl h SER 143 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3fkl h SER 143 CO 0.03 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 3fkl n ALA 144 N -2.20 2.45 -2.61 5.18 0.00 -0.70 -4.75 120.51 117.89 3fkl n ALA 144 Ca -0.01 -0.68 -0.20 0.00 0.00 0.00 0.00 53.44 52.55 3fkl n ALA 144 Cb 0.26 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.73 3fkl n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fkl n ASP 145 N 0.65 -5.60 -4.69 0.00 10.43 -0.32 -4.65 116.55 112.36 3fkl n ASP 145 Ca 0.14 -0.12 -0.34 0.00 2.57 0.00 0.00 54.79 57.04 3fkl n ASP 145 Cb 0.35 -4.56 -0.09 0.00 1.84 0.00 0.00 41.12 38.66 3fkl n ASP 145 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3fkl s ILE 146 N -3.02 4.29 0.01 0.53 1.01 -1.11 -5.04 121.20 117.88 3fkl s ILE 146 Ca 0.12 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.48 3fkl s ILE 146 Cb -0.05 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 3fkl s ILE 146 CO 0.14 0.51 -0.25 -0.63 0.00 0.00 0.00 174.94 174.72 3fkl s ILE 147 N -0.97 2.21 -0.01 2.92 1.01 -1.26 -3.69 121.20 121.41 3fkl s ILE 147 Ca 0.16 -1.23 -0.19 0.00 0.00 0.00 0.00 60.65 59.40 3fkl s ILE 147 Cb -0.11 -1.83 -0.10 0.00 0.01 0.00 0.00 42.46 40.42 3fkl s ILE 147 CO 0.06 0.46 0.84 -0.74 0.00 0.00 0.00 174.94 175.56 3fkl h HIS 148 N 5.07 -0.62 0.00 3.97 -0.00 -1.93 -1.91 115.15 119.74 3fkl h HIS 148 Ca -0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 3fkl h HIS 148 Cb 1.14 0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.75 3fkl h HIS 148 CO 0.45 -0.39 0.00 0.54 -0.00 0.00 0.00 177.93 178.53 3fkl n ARG 149 N -4.87 0.00 -2.76 5.26 1.74 -1.26 -3.73 116.66 111.04 3fkl n ARG 149 Ca -0.08 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.96 3fkl n ARG 149 Cb 0.26 -1.08 0.05 0.00 -1.02 0.00 0.00 32.46 30.67 3fkl n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3fkl n ASP 150 N 0.00 1.34 -4.72 0.55 2.03 -1.26 -4.96 116.55 109.53 3fkl n ASP 150 Ca 0.00 -2.31 -0.42 0.00 0.52 0.00 0.00 54.79 52.58 3fkl n ASP 150 Cb 0.00 -0.43 -0.03 0.00 -0.72 0.00 0.00 41.12 39.94 3fkl n ASP 150 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3fkl s LEU 151 N -3.53 4.39 0.20 -2.67 0.20 -1.26 -4.94 118.68 111.06 3fkl s LEU 151 Ca 0.26 2.32 -0.23 0.00 0.69 0.00 0.00 54.13 57.18 3fkl s LEU 151 Cb 0.38 -3.59 0.05 0.00 -0.43 0.00 0.00 46.19 42.60 3fkl s LEU 151 CO -0.01 -0.59 0.66 -1.59 -0.29 0.00 0.00 176.35 174.53 3fkl s LYS 152 N 0.65 1.44 0.47 1.98 -2.85 -1.26 -4.82 119.74 115.34 3fkl s LYS 152 Ca 0.61 -0.65 0.23 0.00 -1.00 0.00 0.00 55.97 55.16 3fkl s LYS 152 Cb -0.36 0.59 1.25 0.00 -2.06 0.00 0.00 37.83 37.24 3fkl s LYS 152 CO 0.33 -0.64 1.88 -1.35 0.10 0.00 0.00 175.35 175.67 3fkl h PRO 153 N 2.00 0.22 0.00 1.78 0.11 -1.95 -1.12 132.00 133.05 3fkl h PRO 153 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3fkl h PRO 153 Cb 1.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3fkl h PRO 153 CO 0.32 0.15 0.00 0.66 -0.21 0.00 0.00 178.00 178.92 3fkl h SER 154 N 0.23 0.00 -0.30 -2.05 4.64 -1.95 -2.33 113.55 111.80 3fkl h SER 154 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3fkl h SER 154 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3fkl h SER 154 CO -0.10 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.40 3fkl n ASN 155 N -2.42 3.70 -4.27 4.97 0.23 -0.43 -4.84 115.26 112.20 3fkl n ASN 155 Ca 0.02 -2.74 -0.39 0.00 -0.53 0.00 0.00 54.58 50.94 3fkl n ASN 155 Cb 0.28 -0.47 -0.11 0.00 -2.08 0.00 0.00 39.78 37.40 3fkl n ASN 155 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3fkl s LEU 156 N -2.34 4.74 -0.13 -4.53 1.43 -1.04 -0.89 118.68 115.92 3fkl s LEU 156 Ca 0.38 -1.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.08 3fkl s LEU 156 Cb 0.29 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 3fkl s LEU 156 CO 0.11 -0.43 0.12 0.00 0.23 0.00 0.00 176.35 176.38 3fkl s ALA 157 N 1.41 3.77 -0.00 4.21 0.00 -0.23 -1.03 121.76 129.89 3fkl s ALA 157 Ca 0.01 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3fkl s ALA 157 Cb -0.21 -1.96 -0.00 0.00 0.00 0.00 0.00 23.12 20.95 3fkl s ALA 157 CO 0.02 0.51 -0.05 0.08 0.00 0.00 0.00 175.76 176.32 3fkl s VAL 158 N -0.69 0.41 0.75 0.00 1.01 0.40 -0.49 120.40 121.79 3fkl s VAL 158 Ca 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 3fkl s VAL 158 Cb -0.12 -0.35 0.15 0.00 0.00 0.00 0.00 36.38 36.06 3fkl s VAL 158 CO 0.03 0.12 1.02 -0.46 0.00 0.00 0.00 175.10 175.81 3fkl n ASN 159 N 2.97 1.20 -0.35 3.32 0.23 -0.62 -1.84 115.26 120.16 3fkl n ASN 159 Ca -0.13 -2.05 0.11 0.00 -0.53 0.00 0.00 54.58 51.98 3fkl n ASN 159 Cb 0.58 -0.68 0.30 0.00 -2.08 0.00 0.00 39.78 37.90 3fkl n ASN 159 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3fkl h GLU 160 N 0.00 0.80 -0.77 -3.83 3.07 -1.97 -1.15 114.58 110.72 3fkl h GLU 160 Ca -0.34 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.43 3fkl h GLU 160 Cb 1.20 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.90 3fkl h GLU 160 CO 0.34 0.53 0.06 -0.40 -1.40 0.00 0.00 179.01 178.14 3fkl n ASP 161 N -4.73 3.97 -0.55 1.42 5.68 -1.26 -4.91 116.55 116.17 3fkl n ASP 161 Ca 0.22 -2.66 -0.07 0.00 -0.50 0.00 0.00 54.79 51.78 3fkl n ASP 161 Cb 0.51 -0.63 -0.03 0.00 -1.14 0.00 0.00 41.12 39.83 3fkl n ASP 161 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fkl s GLU 163 N -2.26 4.41 0.01 0.00 2.02 -1.26 -4.83 118.70 116.80 3fkl s GLU 163 Ca 0.00 1.81 0.08 0.00 0.02 0.00 0.00 54.97 56.87 3fkl s GLU 163 Cb 0.00 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.86 3fkl s GLU 163 CO 0.00 -0.29 -0.22 -1.17 0.02 0.00 0.00 175.26 173.60 3fkl s LEU 164 N 1.12 2.35 0.00 1.80 0.20 -1.26 -1.59 118.68 121.30 3fkl s LEU 164 Ca 0.59 -0.46 0.05 0.00 0.69 0.00 0.00 54.13 55.00 3fkl s LEU 164 Cb -0.30 -1.40 -0.01 0.00 -0.43 0.00 0.00 46.19 44.04 3fkl s LEU 164 CO 0.29 0.29 -0.14 -0.54 -0.29 0.00 0.00 176.35 175.95 3fkl s LYS 165 N -1.07 1.09 -0.07 1.98 1.02 0.36 -4.22 119.74 118.82 3fkl s LYS 165 Ca 0.12 -0.58 -0.22 0.00 0.02 0.00 0.00 55.97 55.30 3fkl s LYS 165 Cb -0.10 -1.07 -0.04 0.00 -0.52 0.00 0.00 37.83 36.10 3fkl s LYS 165 CO 0.02 0.29 0.65 0.42 -0.92 0.00 0.00 175.35 175.80 3fkl s ILE 166 N -0.48 5.07 0.24 2.17 1.01 -0.09 -1.06 121.20 128.06 3fkl s ILE 166 Ca 0.04 1.33 0.10 0.00 0.00 0.00 0.00 60.65 62.12 3fkl s ILE 166 Cb -0.06 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 3fkl s ILE 166 CO 0.00 0.28 -0.05 -0.76 0.00 0.00 0.00 174.94 174.40 3fkl s LEU 167 N 0.70 3.06 -1.03 2.97 1.02 -0.07 -1.39 118.68 123.95 3fkl s LEU 167 Ca 0.35 -0.67 0.00 0.00 0.02 0.00 0.00 54.13 53.83 3fkl s LEU 167 Cb -0.17 -1.63 0.00 0.00 0.02 0.00 0.00 46.19 44.41 3fkl s LEU 167 CO 0.16 0.04 0.00 0.47 0.02 0.00 0.00 176.35 177.04 3fkl n ASP 168 N -0.59 -4.04 -4.83 2.29 10.43 -1.26 -4.83 116.55 113.72 3fkl n ASP 168 Ca -0.07 0.19 -0.32 0.00 2.57 0.00 0.00 54.79 57.16 3fkl n ASP 168 Cb 0.58 -2.63 -0.01 0.00 1.84 0.00 0.00 41.12 40.90 3fkl n ASP 168 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 3fkl s PHE 169 N -2.41 3.24 0.00 1.24 -0.12 -1.26 -4.25 117.98 114.42 3fkl s PHE 169 Ca 0.00 1.47 0.00 0.00 -0.05 0.00 0.00 56.93 58.35 3fkl s PHE 169 Cb 0.00 -2.89 0.00 0.00 -0.63 0.00 0.00 43.02 39.50 3fkl s PHE 169 CO 0.00 -0.77 0.00 0.41 -0.05 0.00 0.00 175.22 174.81 3fkl n GLY 170 N -1.42 0.50 0.08 1.99 0.00 -0.72 -4.86 105.19 100.77 3fkl n GLY 170 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 3fkl n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fkl n LEU 171 N 0.00 2.90 -4.75 0.99 4.77 -1.26 -4.98 117.00 114.67 3fkl n LEU 171 Ca 0.00 -0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.60 3fkl n LEU 171 Cb 0.07 -0.56 0.15 0.00 -2.33 0.00 0.00 43.42 40.76 3fkl n LEU 171 CO 0.00 0.77 0.70 0.00 -1.33 0.00 0.00 177.39 177.53 3fkl s ALA 172 N -2.33 1.52 0.00 -1.18 0.00 -1.26 -5.17 121.76 113.34 3fkl s ALA 172 Ca -0.22 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3fkl s ALA 172 Cb 0.06 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.15 3fkl s ALA 172 CO 0.39 -2.51 0.00 -0.85 0.00 0.00 0.00 175.76 172.79 3fkl n GLU 178 N -3.93 0.00 -0.28 0.00 0.28 -1.26 -4.95 120.64 110.50 3fkl n GLU 178 Ca 0.07 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.18 3fkl n GLU 178 Cb 0.59 -3.81 0.28 0.00 1.43 0.00 0.00 31.44 29.93 3fkl n GLU 178 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3fkl n MET 179 N -2.00 2.50 -3.69 3.44 2.81 -1.26 -4.78 117.12 114.14 3fkl n MET 179 Ca 0.00 -2.31 -0.37 0.00 -1.81 0.00 0.00 57.70 53.21 3fkl n MET 179 Cb 0.00 -1.51 -0.06 0.00 -0.71 0.00 0.00 33.22 30.94 3fkl n MET 179 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3fkl s THR 180 N -1.26 5.29 0.00 2.03 2.01 -1.26 -4.78 115.64 117.67 3fkl s THR 180 Ca 0.42 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.93 3fkl s THR 180 Cb 0.23 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 69.19 3fkl s THR 180 CO 0.31 0.58 0.00 0.61 -0.69 0.00 0.00 174.62 175.43 3fkl n GLY 181 N 2.06 -1.30 3.32 4.40 0.00 -1.24 -4.55 105.19 107.88 3fkl n GLY 181 Ca -0.17 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 3fkl n GLY 181 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3fkl n TYR 182 N 0.00 4.37 -4.19 1.61 9.36 -1.09 -3.87 117.16 123.36 3fkl n TYR 182 Ca 0.00 -3.02 -0.17 0.00 3.32 0.00 0.00 57.90 58.03 3fkl n TYR 182 Cb 0.00 -2.40 -0.15 0.00 -0.63 0.00 0.00 39.34 36.16 3fkl n TYR 182 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3fkl s VAL 183 N 2.77 0.47 -1.20 2.97 -7.23 -1.26 -5.02 120.40 111.90 3fkl s VAL 183 Ca 0.48 -0.22 0.03 0.00 -1.81 0.00 0.00 61.98 60.46 3fkl s VAL 183 Cb 0.04 -0.42 0.04 0.00 0.56 0.00 0.00 36.38 36.59 3fkl s VAL 183 CO 0.02 0.15 1.00 0.00 -0.31 0.00 0.00 175.10 175.96 3fkl n ALA 184 N 3.18 1.23 0.39 1.32 0.00 -1.26 -2.35 120.51 123.02 3fkl n ALA 184 Ca -0.16 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.40 3fkl n ALA 184 Cb 0.56 -1.05 0.44 0.00 0.00 0.00 0.00 19.45 19.40 3fkl n ALA 184 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3fkl h THR 185 N 0.00 0.00 0.00 0.00 1.35 -1.95 -3.31 112.91 109.00 3fkl h THR 185 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3fkl h THR 185 Cb 0.04 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3fkl h THR 185 CO 0.00 0.00 -0.63 -1.14 -0.25 0.00 0.00 175.52 173.50 3fkl n ARG 186 N -2.64 3.04 0.30 4.72 0.63 -0.99 -4.77 116.66 116.95 3fkl n ARG 186 Ca 0.03 -0.01 0.20 0.00 -0.92 0.00 0.00 57.85 57.15 3fkl n ARG 186 Cb 0.37 -0.84 0.95 0.00 0.45 0.00 0.00 32.46 33.39 3fkl n ARG 186 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 3fkl h TRP 187 N 0.00 0.00 -0.09 -0.14 6.55 -1.64 -2.63 115.95 118.01 3fkl h TRP 187 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3fkl h TRP 187 Cb 0.08 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.38 3fkl h TRP 187 CO 0.00 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 178.05 3fkl n TYR 188 N -3.03 0.10 -2.88 0.49 4.02 -1.26 -4.55 117.16 110.04 3fkl n TYR 188 Ca -0.01 -0.07 -0.40 0.00 -0.01 0.00 0.00 57.90 57.41 3fkl n TYR 188 Cb 0.18 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.44 3fkl n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3fkl s ARG 189 N -1.27 4.66 0.28 -0.72 1.81 -0.99 -3.68 118.95 119.03 3fkl s ARG 189 Ca 0.21 1.28 -0.30 0.00 -1.72 0.00 0.00 55.73 55.20 3fkl s ARG 189 Cb 0.14 -3.30 -0.11 0.00 -0.45 0.00 0.00 34.95 31.23 3fkl s ARG 189 CO 0.20 0.46 1.51 0.00 -0.68 0.00 0.00 175.30 176.79 3fkl s ALA 190 N -0.82 3.67 0.41 2.13 0.00 -1.26 -4.83 121.76 121.07 3fkl s ALA 190 Ca 0.39 1.46 0.13 0.00 0.00 0.00 0.00 51.96 53.94 3fkl s ALA 190 Cb -0.24 -3.60 0.98 0.00 0.00 0.00 0.00 23.12 20.26 3fkl s ALA 190 CO 0.28 -0.88 1.93 -1.00 0.00 0.00 0.00 175.76 176.10 3fkl h PRO 191 N 4.73 0.47 -0.09 0.00 0.13 -1.95 -1.37 132.00 133.92 3fkl h PRO 191 Ca -0.47 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3fkl h PRO 191 Cb 1.22 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 3fkl h PRO 191 CO 0.77 0.31 0.06 1.05 -0.23 0.00 0.00 178.00 179.97 3fkl h GLU 192 N 0.49 0.09 0.00 0.86 9.09 -1.91 -1.53 114.58 121.68 3fkl h GLU 192 Ca 0.35 -0.01 -0.32 0.00 0.05 0.00 0.00 59.36 59.43 3fkl h GLU 192 Cb 0.68 -0.02 -0.06 0.00 -1.65 0.00 0.00 28.75 27.71 3fkl h GLU 192 CO -0.12 0.06 -1.92 0.44 0.05 0.00 0.00 179.01 177.52 3fkl n ILE 193 N -4.52 1.55 -0.15 -1.06 -5.35 -0.68 -0.27 119.36 108.87 3fkl n ILE 193 Ca -0.01 -0.81 0.02 0.00 -0.27 0.00 0.00 62.75 61.68 3fkl n ILE 193 Cb 0.11 -0.90 0.31 0.00 -1.74 0.00 0.00 39.64 37.41 3fkl n ILE 193 CO 0.00 0.00 0.00 -0.03 -1.76 0.00 0.00 176.55 174.76 3fkl h MET 194 N 0.00 0.84 -0.13 6.28 4.05 -0.85 -3.07 114.93 122.05 3fkl h MET 194 Ca -0.37 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.00 3fkl h MET 194 Cb 2.08 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 32.69 3fkl h MET 194 CO 0.06 0.56 0.00 1.28 0.23 0.00 0.00 176.91 179.04 3fkl n LEU 195 N -4.44 2.60 -3.74 3.39 4.77 -0.61 -5.02 117.00 113.94 3fkl n LEU 195 Ca 0.07 -2.38 -0.32 0.00 -0.03 0.00 0.00 56.01 53.35 3fkl n LEU 195 Cb 0.06 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3fkl n LEU 195 CO 0.36 0.63 -0.10 0.59 -1.33 0.00 0.00 177.39 177.54 3fkl n ASN 196 N -0.43 -4.52 0.06 -1.43 5.03 -1.07 -4.89 115.26 108.02 3fkl n ASN 196 Ca 0.10 -1.03 -0.08 0.00 0.87 0.00 0.00 54.58 54.43 3fkl n ASN 196 Cb 0.47 -3.23 0.05 0.00 -1.02 0.00 0.00 39.78 36.05 3fkl n ASN 196 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 3fkl h TRP 197 N -1.94 0.45 -2.31 3.10 6.55 -0.91 -3.44 115.95 117.44 3fkl h TRP 197 Ca -0.66 -0.20 0.25 0.00 0.95 0.00 0.00 58.89 59.23 3fkl h TRP 197 Cb 1.37 -0.07 -0.05 0.00 -0.86 0.00 0.00 29.16 29.54 3fkl h TRP 197 CO 0.36 0.93 0.74 0.00 -1.05 0.00 0.00 178.44 179.42 3fkl s MET 198 N -3.61 0.85 -0.05 0.49 0.23 -1.26 -1.86 119.30 114.09 3fkl s MET 198 Ca -0.05 -0.55 -0.30 0.00 -1.03 0.00 0.00 55.69 53.76 3fkl s MET 198 Cb 0.11 0.24 -0.05 0.00 -1.53 0.00 0.00 34.83 33.60 3fkl s MET 198 CO 0.83 -0.40 1.57 -1.58 -2.03 0.00 0.00 175.02 173.40 3fkl s HIS 199 N -2.11 2.24 -0.11 3.16 5.65 -1.26 -4.92 115.29 117.95 3fkl s HIS 199 Ca 0.25 0.39 -0.06 0.00 0.25 0.00 0.00 55.06 55.89 3fkl s HIS 199 Cb -0.01 -3.83 -0.04 0.00 -1.18 0.00 0.00 32.58 27.51 3fkl s HIS 199 CO 0.02 -3.39 0.13 1.52 -0.65 0.00 0.00 174.74 172.38 3fkl s TYR 200 N 3.64 3.55 0.03 3.88 -0.85 -1.26 -5.11 117.35 121.23 3fkl s TYR 200 Ca 0.70 0.48 0.00 0.00 -0.52 0.00 0.00 57.07 57.73 3fkl s TYR 200 Cb -0.32 -1.92 0.01 0.00 0.38 0.00 0.00 41.96 40.11 3fkl s TYR 200 CO 0.27 0.71 0.04 0.27 -1.52 0.00 0.00 175.55 175.32 3fkl n ASN 201 N 1.91 0.05 0.22 -0.18 0.23 -1.26 -5.00 115.26 111.22 3fkl n ASN 201 Ca -0.19 -1.04 0.07 0.00 -0.53 0.00 0.00 54.58 52.89 3fkl n ASN 201 Cb 0.55 -0.02 0.49 0.00 -2.08 0.00 0.00 39.78 38.71 3fkl n ASN 201 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3fkl h GLN 202 N 0.00 0.00 0.00 -3.83 4.20 -1.96 -2.93 115.11 110.59 3fkl h GLN 202 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3fkl h GLN 202 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3fkl h GLN 202 CO 0.01 0.27 0.00 0.25 -0.67 0.00 0.00 178.83 178.69 3fkl n THR 203 N -3.82 0.00 -0.27 -0.54 -2.24 -1.26 -1.77 114.28 104.38 3fkl n THR 203 Ca -0.01 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.83 3fkl n THR 203 Cb 0.36 -0.59 0.29 0.00 -2.10 0.00 0.00 70.33 68.29 3fkl n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3fkl h VAL 204 N 0.00 1.00 -0.00 2.28 -1.51 -1.89 -1.88 116.25 114.25 3fkl h VAL 204 Ca 0.00 -0.31 -0.08 0.00 -1.23 0.00 0.00 66.70 65.08 3fkl h VAL 204 Cb 0.00 0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 29.18 3fkl h VAL 204 CO 0.00 0.16 -0.40 0.44 -1.23 0.00 0.00 177.57 176.55 3fkl h ASP 205 N 0.90 0.01 0.24 4.19 3.32 -1.62 -2.80 116.42 120.65 3fkl h ASP 205 Ca 0.39 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.28 3fkl h ASP 205 Cb 0.33 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3fkl h ASP 205 CO -0.15 0.41 -0.60 0.40 -1.72 0.00 0.00 179.24 177.58 3fkl h ILE 206 N 0.01 1.36 -0.28 0.35 1.08 -1.51 -1.50 117.51 117.01 3fkl h ILE 206 Ca -0.00 -1.92 0.04 0.00 -0.39 0.00 0.00 64.86 62.59 3fkl h ILE 206 Cb 0.71 1.93 -0.04 0.00 -3.07 0.00 0.00 36.82 36.35 3fkl h ILE 206 CO 0.05 0.58 0.03 -0.25 -0.69 0.00 0.00 178.15 177.87 3fkl h TRP 207 N 0.27 0.04 -0.58 1.37 2.91 -1.19 -1.51 115.95 117.26 3fkl h TRP 207 Ca -0.00 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.05 3fkl h TRP 207 Cb 1.12 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.76 3fkl h TRP 207 CO 0.03 -0.01 0.36 0.77 -1.03 0.00 0.00 178.44 178.57 3fkl h SER 208 N 0.12 0.61 -0.53 2.65 0.02 -1.32 -1.26 113.55 113.84 3fkl h SER 208 Ca 0.13 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.13 3fkl h SER 208 Cb 0.16 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 3fkl h SER 208 CO -0.20 0.43 0.26 0.58 -1.14 0.00 0.00 176.83 176.76 3fkl h VAL 209 N 0.73 0.94 -0.56 2.27 2.07 -1.00 -0.81 116.25 119.88 3fkl h VAL 209 Ca 0.23 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.63 3fkl h VAL 209 Cb -0.02 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 3fkl h VAL 209 CO -0.08 0.09 0.27 1.23 0.02 0.00 0.00 177.57 179.10 3fkl h GLY 210 N 0.51 0.79 1.01 2.17 0.00 -0.59 0.28 103.07 107.23 3fkl h GLY 210 Ca 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 3fkl h GLY 210 CO -0.18 0.09 0.48 0.00 0.00 0.00 0.00 176.54 176.94 3fkl h ILE 212 N 1.07 1.32 -0.52 0.00 2.04 -0.70 -2.57 117.51 118.16 3fkl h ILE 212 Ca 0.28 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.92 3fkl h ILE 212 Cb -0.06 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 3fkl h ILE 212 CO -0.05 0.37 0.34 -0.03 0.00 0.00 0.00 178.15 178.78 3fkl h MET 213 N 0.07 0.68 -0.56 2.37 4.05 -0.32 -0.96 114.93 120.27 3fkl h MET 213 Ca 0.04 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.45 3fkl h MET 213 Cb 0.63 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 31.23 3fkl h MET 213 CO 0.03 0.45 0.31 0.00 0.23 0.00 0.00 176.91 177.94 3fkl h ALA 214 N 1.19 0.72 -0.73 0.39 0.00 -1.29 -1.35 119.26 118.19 3fkl h ALA 214 Ca 0.19 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3fkl h ALA 214 Cb -0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3fkl h ALA 214 CO -0.04 -0.00 0.29 1.49 0.00 0.00 0.00 179.25 180.99 3fkl h GLU 215 N 0.60 1.09 -0.18 0.00 4.81 -1.00 -0.65 114.58 119.26 3fkl h GLU 215 Ca 0.24 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 3fkl h GLU 215 Cb 0.10 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3fkl h GLU 215 CO -0.14 0.89 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.70 3fkl h LEU 216 N 1.06 0.33 -0.34 1.64 3.38 -0.87 0.45 115.31 120.97 3fkl h LEU 216 Ca 0.25 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 3fkl h LEU 216 Cb 0.21 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3fkl h LEU 216 CO -0.02 0.60 -0.84 -0.07 0.09 0.00 0.00 178.44 178.20 3fkl h LEU 217 N 0.30 0.21 0.00 1.67 3.38 -0.60 -2.47 115.31 117.80 3fkl h LEU 217 Ca 0.05 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3fkl h LEU 217 Cb 0.63 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3fkl h LEU 217 CO 0.05 0.96 -1.35 0.35 0.09 0.00 0.00 178.44 178.53 3fkl n THR 218 N -3.67 0.00 -0.99 0.22 -2.24 -0.31 -4.67 114.28 102.63 3fkl n THR 218 Ca -0.03 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3fkl n THR 218 Cb 0.78 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 3fkl n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fkl n GLY 219 N 1.88 0.72 3.21 3.38 0.00 0.16 -4.45 105.19 110.08 3fkl n GLY 219 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 3fkl n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fkl s ARG 220 N -0.08 1.11 0.26 1.61 1.81 -1.20 -4.30 118.95 118.16 3fkl s ARG 220 Ca 0.00 -0.93 -0.31 0.00 -1.72 0.00 0.00 55.73 52.77 3fkl s ARG 220 Cb 0.00 -1.21 -0.12 0.00 -0.45 0.00 0.00 34.95 33.17 3fkl s ARG 220 CO 0.00 0.29 1.58 2.41 -0.68 0.00 0.00 175.30 178.91 3fkl n THR 221 N 1.62 0.78 -0.01 0.02 -1.04 -1.26 -3.99 114.28 110.39 3fkl n THR 221 Ca -0.18 -0.20 -0.13 0.00 -2.04 0.00 0.00 64.05 61.50 3fkl n THR 221 Cb 0.54 -1.86 -0.10 0.00 -1.82 0.00 0.00 70.33 67.09 3fkl n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3fkl h LEU 222 N 5.08 -0.01 -6.19 -4.42 5.85 -1.92 -3.39 115.31 110.32 3fkl h LEU 222 Ca -0.46 -0.53 -0.59 0.00 0.84 0.00 0.00 57.88 57.14 3fkl h LEU 222 Cb 1.23 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.85 3fkl h LEU 222 CO 0.82 0.53 -0.69 0.49 -0.34 0.00 0.00 178.44 179.25 3fkl n PHE 223 N -4.84 2.88 -1.59 1.25 0.99 -1.26 -5.00 117.46 109.89 3fkl n PHE 223 Ca -0.09 -4.05 -0.41 0.00 -0.00 0.00 0.00 57.45 52.90 3fkl n PHE 223 Cb 0.27 -0.52 -0.01 0.00 -1.00 0.00 0.00 39.48 38.22 3fkl n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3fkl n PRO 224 N 1.00 3.07 -2.04 -1.08 -0.04 -1.26 -4.69 135.00 129.97 3fkl n PRO 224 Ca 0.28 -2.46 -0.39 0.00 -0.04 0.00 0.00 63.50 60.90 3fkl n PRO 224 Cb 0.43 -3.13 0.01 0.00 -0.04 0.00 0.00 33.50 30.77 3fkl n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3fkl s GLY 225 N 2.93 2.88 0.04 0.55 0.00 -1.26 -4.92 107.32 107.53 3fkl s GLY 225 Ca 0.54 1.19 0.27 0.00 0.00 0.00 0.00 44.72 46.71 3fkl s GLY 225 CO -0.08 1.72 1.69 -1.30 0.00 0.00 0.00 173.10 175.14 3fkl n THR 226 N -0.31 0.11 -3.83 0.90 -2.24 -1.26 -4.23 114.28 103.42 3fkl n THR 226 Ca 0.06 -0.06 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 3fkl n THR 226 Cb 0.45 -0.25 0.02 0.00 -2.10 0.00 0.00 70.33 68.45 3fkl n THR 226 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3fkl n ASP 227 N -1.66 -1.49 -0.15 3.42 5.68 -1.25 -2.66 116.55 118.44 3fkl n ASP 227 Ca 0.06 -1.79 -0.06 0.00 -0.50 0.00 0.00 54.79 52.50 3fkl n ASP 227 Cb 0.36 2.43 0.03 0.00 -1.14 0.00 0.00 41.12 42.80 3fkl n ASP 227 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3fkl h HIS 228 N 1.84 0.47 -0.11 2.11 3.86 -1.88 -0.40 115.15 121.04 3fkl h HIS 228 Ca -0.23 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 58.96 3fkl h HIS 228 Cb 1.02 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.35 3fkl h HIS 228 CO 0.00 0.26 -0.08 0.82 0.86 0.00 0.00 177.93 179.78 3fkl h ILE 229 N 0.50 1.34 -0.80 2.45 1.08 -1.99 -1.51 117.51 118.59 3fkl h ILE 229 Ca 0.19 -1.19 0.05 0.00 -0.39 0.00 0.00 64.86 63.52 3fkl h ILE 229 Cb 0.06 1.90 -0.06 0.00 -3.07 0.00 0.00 36.82 35.65 3fkl h ILE 229 CO -0.11 0.34 0.49 -0.78 -0.69 0.00 0.00 178.15 177.40 3fkl h ASP 230 N -0.15 0.77 -0.56 1.72 1.82 -1.93 -1.35 116.42 116.75 3fkl h ASP 230 Ca 0.02 0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.61 3fkl h ASP 230 Cb 0.58 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 3fkl h ASP 230 CO 0.02 0.51 0.09 -0.61 -1.61 0.00 0.00 179.24 177.64 3fkl h GLN 231 N 0.91 0.93 -0.52 0.28 4.15 -0.97 -1.56 115.11 118.33 3fkl h GLN 231 Ca 0.34 -0.25 0.01 0.00 0.77 0.00 0.00 58.65 59.53 3fkl h GLN 231 Cb 0.13 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 3fkl h GLN 231 CO -0.16 0.89 0.33 1.25 -1.93 0.00 0.00 178.83 179.22 3fkl h LEU 232 N 0.82 0.55 -0.67 -2.39 5.85 -0.86 -0.32 115.31 118.29 3fkl h LEU 232 Ca 0.17 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 3fkl h LEU 232 Cb 0.42 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3fkl h LEU 232 CO 0.01 0.39 0.31 0.11 -0.34 0.00 0.00 178.44 178.93 3fkl h LYS 233 N 0.66 0.97 -0.50 1.25 1.57 -1.03 0.55 116.57 120.05 3fkl h LYS 233 Ca 0.20 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3fkl h LYS 233 Cb -0.03 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 3fkl h LYS 233 CO -0.07 0.78 0.28 -0.07 -0.57 0.00 0.00 179.45 179.80 3fkl h LEU 234 N 0.93 0.43 0.08 2.94 3.38 -0.99 -1.04 115.31 121.05 3fkl h LEU 234 Ca 0.23 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3fkl h LEU 234 Cb 0.13 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3fkl h LEU 234 CO -0.03 0.30 -0.04 0.40 0.09 0.00 0.00 178.44 179.17 3fkl h ILE 235 N 0.55 0.93 0.00 1.22 2.04 -0.40 -3.03 117.51 118.83 3fkl h ILE 235 Ca 0.21 -0.03 -0.10 0.00 1.00 0.00 0.00 64.86 65.94 3fkl h ILE 235 Cb 0.07 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3fkl h ILE 235 CO -0.12 0.01 -0.47 -0.07 0.00 0.00 0.00 178.15 177.50 3fkl h LEU 236 N -0.12 0.00 -1.15 1.44 3.38 -0.77 -0.62 115.31 117.47 3fkl h LEU 236 Ca -0.01 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3fkl h LEU 236 Cb 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3fkl h LEU 236 CO 0.02 0.47 0.58 -0.09 0.09 0.00 0.00 178.44 179.52 3fkl h ARG 237 N 0.00 1.03 0.04 1.13 2.43 -1.16 0.37 114.38 118.22 3fkl h ARG 237 Ca -0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3fkl h ARG 237 Cb 0.86 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3fkl h ARG 237 CO 0.06 0.68 -0.02 1.25 -1.51 0.00 0.00 179.97 180.43 3fkl h LEU 238 N 1.06 -0.04 -0.36 3.80 5.85 -1.12 -3.38 115.31 121.11 3fkl h LEU 238 Ca 0.37 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3fkl h LEU 238 Cb 0.12 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3fkl h LEU 238 CO -0.13 0.61 -0.35 1.33 -0.34 0.00 0.00 178.44 179.56 3fkl n VAL 239 N -4.76 0.00 0.00 1.05 0.24 -0.35 -1.15 118.33 113.36 3fkl n VAL 239 Ca -0.04 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 3fkl n VAL 239 Cb 0.18 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 3fkl n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fkl n GLY 240 N 1.39 -0.97 3.78 7.63 0.00 0.13 -4.17 105.19 112.98 3fkl n GLY 240 Ca 0.10 -1.58 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 3fkl n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fkl s THR 241 N -3.05 3.28 0.52 2.61 -4.23 -0.46 -4.69 115.64 109.63 3fkl s THR 241 Ca 0.00 0.73 -0.22 0.00 -1.18 0.00 0.00 61.69 61.02 3fkl s THR 241 Cb 0.00 -3.26 -0.06 0.00 1.34 0.00 0.00 72.50 70.52 3fkl s THR 241 CO 0.00 -0.24 1.25 -2.16 -0.54 0.00 0.00 174.62 172.93 3fkl s PRO 242 N -3.55 3.38 0.93 3.99 0.04 -1.26 -4.87 135.00 133.65 3fkl s PRO 242 Ca 0.70 1.96 -0.14 0.00 0.04 0.00 0.00 61.00 63.57 3fkl s PRO 242 Cb -0.22 -2.27 0.19 0.00 0.04 0.00 0.00 34.50 32.25 3fkl s PRO 242 CO 0.31 -0.91 1.27 0.20 0.04 0.00 0.00 177.00 177.91 3fkl s GLY 243 N -1.24 1.78 0.32 0.56 0.00 -1.26 -4.87 107.32 102.60 3fkl s GLY 243 Ca 0.69 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 44.13 3fkl s GLY 243 CO 0.39 -0.55 1.90 0.00 0.00 0.00 0.00 173.10 174.84 3fkl h ALA 244 N -1.48 1.36 -0.06 3.20 0.00 -1.99 -2.02 119.26 118.27 3fkl h ALA 244 Ca -0.43 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 3fkl h ALA 244 Cb 1.24 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3fkl h ALA 244 CO 0.38 0.48 0.04 1.49 0.00 0.00 0.00 179.25 181.64 3fkl h GLU 245 N 0.76 0.09 -0.58 0.00 4.81 -2.01 -2.14 114.58 115.50 3fkl h GLU 245 Ca 0.18 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 3fkl h GLU 245 Cb 0.17 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3fkl h GLU 245 CO -0.02 0.10 -0.03 1.25 -0.73 0.00 0.00 179.01 179.58 3fkl h LEU 246 N 0.05 1.03 -0.62 1.64 5.85 -1.92 -3.16 115.31 118.18 3fkl h LEU 246 Ca 0.02 -0.30 0.10 0.00 0.84 0.00 0.00 57.88 58.54 3fkl h LEU 246 Cb 0.04 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 40.71 3fkl h LEU 246 CO -0.00 1.10 0.20 -0.07 -0.34 0.00 0.00 178.44 179.33 3fkl h LEU 247 N 0.95 0.16 -1.28 2.25 3.38 -1.10 0.14 115.31 119.80 3fkl h LEU 247 Ca 0.16 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.31 3fkl h LEU 247 Cb 0.59 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 3fkl h LEU 247 CO 0.04 0.09 0.54 0.11 0.09 0.00 0.00 178.44 179.30 3fkl h LYS 248 N 0.36 0.79 0.00 1.13 1.57 -1.36 -2.27 116.57 116.80 3fkl h LYS 248 Ca 0.32 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3fkl h LYS 248 Cb 0.43 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3fkl h LYS 248 CO -0.35 0.52 0.00 0.87 -0.57 0.00 0.00 179.45 179.93 3fkl h LYS 249 N 0.82 0.00 -5.91 3.15 1.57 -0.97 -3.41 116.57 111.83 3fkl h LYS 249 Ca 0.37 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.73 3fkl h LYS 249 Cb 0.38 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 3fkl h LYS 249 CO -0.15 0.00 1.06 0.42 -0.57 0.00 0.00 179.45 180.22 3fkl s ILE 250 N -3.42 3.50 0.37 1.86 1.01 -0.85 -4.82 121.20 118.85 3fkl s ILE 250 Ca 0.04 -0.17 0.24 0.00 0.00 0.00 0.00 60.65 60.76 3fkl s ILE 250 Cb 0.08 -4.20 0.25 0.00 0.01 0.00 0.00 42.46 38.60 3fkl s ILE 250 CO 0.56 -1.14 1.99 0.77 0.00 0.00 0.00 174.94 177.12 3fkl h SER 251 N 12.18 0.00 -3.09 3.58 4.64 -1.67 -3.40 113.55 125.80 3fkl h SER 251 Ca -0.04 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.72 3fkl h SER 251 Cb 1.06 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.10 3fkl h SER 251 CO 1.25 0.18 1.10 -0.55 -0.87 0.00 0.00 176.83 177.93 3fkl s SER 252 N -6.35 6.22 0.28 4.97 0.15 -0.78 -4.89 113.70 113.31 3fkl s SER 252 Ca -0.02 0.67 -0.02 0.00 0.70 0.00 0.00 55.95 57.28 3fkl s SER 252 Cb 0.13 -2.54 0.43 0.00 -1.71 0.00 0.00 66.02 62.33 3fkl s SER 252 CO 0.62 -1.56 1.92 -0.08 1.20 0.00 0.00 173.24 175.35 3fkl h GLU 253 N 11.05 1.12 -0.19 5.44 4.81 -1.92 -0.65 114.58 134.25 3fkl h GLU 253 Ca -0.27 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 3fkl h GLU 253 Cb 1.11 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 3fkl h GLU 253 CO 1.11 0.74 0.07 1.03 -0.73 0.00 0.00 179.01 181.23 3fkl h SER 254 N 1.15 0.27 -0.47 1.04 0.87 -1.94 -1.16 113.55 113.31 3fkl h SER 254 Ca 0.37 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 3fkl h SER 254 Cb 0.03 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3fkl h SER 254 CO -0.12 0.38 0.15 0.00 -0.53 0.00 0.00 176.83 176.71 3fkl h ALA 255 N 0.90 0.61 -0.45 6.23 0.00 -1.83 -2.72 119.26 122.01 3fkl h ALA 255 Ca 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3fkl h ALA 255 Cb 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3fkl h ALA 255 CO -0.00 0.27 0.26 -0.09 0.00 0.00 0.00 179.25 179.68 3fkl h ARG 256 N 0.62 0.62 -0.77 0.00 2.43 -1.03 -1.93 114.38 114.32 3fkl h ARG 256 Ca 0.15 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 3fkl h ARG 256 Cb 0.27 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 3fkl h ARG 256 CO -0.00 0.48 0.49 -0.97 -1.51 0.00 0.00 179.97 178.45 3fkl h ASN 257 N 0.59 0.79 -0.52 -3.80 -0.73 -1.14 -1.66 115.58 109.12 3fkl h ASN 257 Ca 0.16 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.29 3fkl h ASN 257 Cb 0.03 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.43 3fkl h ASN 257 CO -0.03 0.54 0.14 0.22 -0.37 0.00 0.00 177.43 177.93 3fkl h TYR 258 N 0.93 0.85 -0.54 0.67 3.20 -1.29 -3.08 116.97 117.71 3fkl h TYR 258 Ca 0.32 -0.09 0.04 0.00 3.14 0.00 0.00 58.73 62.13 3fkl h TYR 258 Cb 0.05 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 3fkl h TYR 258 CO -0.04 0.74 0.30 0.82 -1.64 0.00 0.00 178.16 178.34 3fkl h ILE 259 N 0.71 1.00 0.00 1.81 1.08 -0.75 -2.22 117.51 119.14 3fkl h ILE 259 Ca 0.16 -0.20 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 3fkl h ILE 259 Cb 0.30 0.37 -0.00 0.00 -3.07 0.00 0.00 36.82 34.42 3fkl h ILE 259 CO -0.00 0.11 -0.09 1.56 -0.69 0.00 0.00 178.15 179.03 3fkl h GLN 260 N 0.58 0.00 0.00 2.37 4.20 -1.32 -2.64 115.11 118.31 3fkl h GLN 260 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3fkl h GLN 260 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3fkl h GLN 260 CO -0.14 0.09 0.00 0.66 -0.67 0.00 0.00 178.83 178.78 3fkl h SER 261 N 0.00 0.00 -3.77 1.46 4.64 -1.31 -3.45 113.55 111.12 3fkl h SER 261 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3fkl h SER 261 Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3fkl h SER 261 CO 0.01 0.00 0.36 -0.76 -0.87 0.00 0.00 176.83 175.57 3fkl s LEU 262 N -5.91 4.61 0.23 5.97 1.43 -1.00 -5.00 118.68 119.02 3fkl s LEU 262 Ca 0.02 1.97 -0.31 0.00 -1.03 0.00 0.00 54.13 54.77 3fkl s LEU 262 Cb 0.09 -3.66 -0.12 0.00 0.03 0.00 0.00 46.19 42.53 3fkl s LEU 262 CO 0.52 0.11 1.69 -0.89 0.23 0.00 0.00 176.35 178.01 3fkl s THR 263 N -1.23 2.02 0.29 5.49 2.01 -1.26 -4.92 115.64 118.04 3fkl s THR 263 Ca 0.42 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.15 3fkl s THR 263 Cb -0.26 -3.01 -0.10 0.00 0.01 0.00 0.00 72.50 69.14 3fkl s THR 263 CO 0.32 0.00 1.29 -1.10 -0.69 0.00 0.00 174.62 174.44 3fkl s GLN 264 N 0.67 4.39 -0.01 4.92 -0.21 -1.26 -4.92 119.66 123.24 3fkl s GLN 264 Ca 0.71 2.14 0.03 0.00 0.02 0.00 0.00 55.36 58.26 3fkl s GLN 264 Cb -0.49 -3.12 -0.01 0.00 1.00 0.00 0.00 33.01 30.39 3fkl s GLN 264 CO 0.37 -0.17 -0.09 -1.64 -2.12 0.00 0.00 175.29 171.64 3fkl s MET 265 N -1.27 0.71 0.51 2.91 -1.94 -1.26 -4.98 119.30 113.97 3fkl s MET 265 Ca 0.51 -0.32 -0.17 0.00 -1.71 0.00 0.00 55.69 54.00 3fkl s MET 265 Cb -0.38 -0.68 -0.08 0.00 2.01 0.00 0.00 34.83 35.70 3fkl s MET 265 CO 0.47 0.19 0.99 -1.25 -0.01 0.00 0.00 175.02 175.41 3fkl s PRO 266 N -0.22 3.90 0.23 2.03 0.04 -1.26 -1.35 135.00 138.37 3fkl s PRO 266 Ca 0.03 1.02 -0.31 0.00 0.04 0.00 0.00 61.00 61.78 3fkl s PRO 266 Cb -0.03 -2.13 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 3fkl s PRO 266 CO -0.00 -0.32 1.42 1.17 0.04 0.00 0.00 177.00 179.31 3fkl n LYS 267 N -1.51 2.04 -1.70 4.56 4.81 -1.26 -4.16 118.16 120.94 3fkl n LYS 267 Ca 0.07 0.73 -0.30 0.00 -0.87 0.00 0.00 58.31 57.94 3fkl n LYS 267 Cb 0.54 -2.40 0.08 0.00 0.02 0.00 0.00 35.03 33.27 3fkl n LYS 267 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3fkl s MET 268 N -0.28 2.26 -0.38 1.64 -1.94 -0.30 -4.91 119.30 115.40 3fkl s MET 268 Ca 0.69 0.50 -0.28 0.00 -1.71 0.00 0.00 55.69 54.89 3fkl s MET 268 Cb -0.65 -1.95 0.02 0.00 2.01 0.00 0.00 34.83 34.26 3fkl s MET 268 CO 0.48 -1.46 1.06 1.21 -0.01 0.00 0.00 175.02 176.30 3fkl s ASN 269 N -4.14 6.77 0.41 3.03 3.84 -1.26 -4.93 114.94 118.66 3fkl s ASN 269 Ca 0.60 0.74 0.13 0.00 0.21 0.00 0.00 52.86 54.54 3fkl s ASN 269 Cb -0.13 -2.53 0.85 0.00 -0.55 0.00 0.00 41.25 38.90 3fkl s ASN 269 CO 0.53 -1.00 1.91 -0.26 -2.79 0.00 0.00 177.10 175.49 3fkl h PHE 270 N 8.55 0.05 0.00 0.43 -1.00 -1.95 -1.43 116.94 121.59 3fkl h PHE 270 Ca -0.22 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.51 3fkl h PHE 270 Cb 1.06 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.61 3fkl h PHE 270 CO 0.88 0.29 -0.21 0.00 -1.61 0.00 0.00 178.31 177.65 3fkl h ALA 271 N 1.71 1.49 0.00 2.45 0.00 -1.91 0.17 119.26 123.17 3fkl h ALA 271 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3fkl h ALA 271 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3fkl h ALA 271 CO 0.03 0.27 -0.38 0.09 0.00 0.00 0.00 179.25 179.26 3fkl n ASN 272 N -4.06 0.55 -0.03 0.00 5.03 -0.59 -3.80 115.26 112.37 3fkl n ASN 272 Ca -0.02 0.17 -0.21 0.00 0.87 0.00 0.00 54.58 55.39 3fkl n ASN 272 Cb 0.29 -0.10 -0.13 0.00 -1.02 0.00 0.00 39.78 38.82 3fkl n ASN 272 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3fkl n VAL 273 N -1.88 1.71 -3.00 2.41 0.31 -0.75 -4.60 118.33 112.54 3fkl n VAL 273 Ca 0.05 -0.58 -0.34 0.00 -0.01 0.00 0.00 64.34 63.46 3fkl n VAL 273 Cb 0.39 -1.72 -0.03 0.00 -0.91 0.00 0.00 33.84 31.58 3fkl n VAL 273 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3fkl n PHE 274 N -3.55 3.30 -1.80 3.52 3.01 0.51 -5.06 117.46 117.39 3fkl n PHE 274 Ca -0.35 -3.41 -0.42 0.00 1.01 0.00 0.00 57.45 54.29 3fkl n PHE 274 Cb 1.00 -0.83 -0.02 0.00 -0.01 0.00 0.00 39.48 39.63 3fkl n PHE 274 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3fkl s ILE 275 N -3.64 2.17 0.00 4.37 1.01 -1.25 -2.33 121.20 121.53 3fkl s ILE 275 Ca 0.41 0.13 0.00 0.00 0.00 0.00 0.00 60.65 61.19 3fkl s ILE 275 Cb 0.18 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.57 3fkl s ILE 275 CO -0.06 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.51 3fkl n GLY 276 N 2.87 2.29 3.78 6.18 0.00 -1.26 -5.02 105.19 114.02 3fkl n GLY 276 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3fkl n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fkl s ALA 277 N -2.58 2.96 -0.23 4.61 0.00 -0.98 -4.94 121.76 120.59 3fkl s ALA 277 Ca 0.00 0.81 -0.40 0.00 0.00 0.00 0.00 51.96 52.36 3fkl s ALA 277 Cb 0.00 -3.33 -0.16 0.00 0.00 0.00 0.00 23.12 19.63 3fkl s ALA 277 CO 0.00 -0.49 1.65 -1.71 0.00 0.00 0.00 175.76 175.21 3fkl n ASN 278 N -0.53 2.13 0.15 0.00 2.85 -1.26 -4.84 115.26 113.75 3fkl n ASN 278 Ca 0.07 1.09 0.18 0.00 -0.11 0.00 0.00 54.58 55.82 3fkl n ASN 278 Cb 0.49 -1.12 0.78 0.00 1.24 0.00 0.00 39.78 41.17 3fkl n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3fkl h PRO 279 N 6.53 0.00 -0.19 1.20 0.11 -1.97 0.86 132.00 138.54 3fkl h PRO 279 Ca -0.47 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 3fkl h PRO 279 Cb 1.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 3fkl h PRO 279 CO 0.93 0.00 -0.61 -0.07 -0.21 0.00 0.00 178.00 178.04 3fkl h LEU 280 N 0.00 0.72 -0.44 2.35 3.38 -1.99 -1.19 115.31 118.14 3fkl h LEU 280 Ca 0.14 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3fkl h LEU 280 Cb 0.74 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3fkl h LEU 280 CO -0.00 1.16 0.16 0.00 0.09 0.00 0.00 178.44 179.85 3fkl h ALA 281 N 0.85 0.57 -0.45 1.53 0.00 -1.22 -0.99 119.26 119.56 3fkl h ALA 281 Ca -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3fkl h ALA 281 Cb 1.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3fkl h ALA 281 CO 0.12 0.19 0.29 0.28 0.00 0.00 0.00 179.25 180.13 3fkl h VAL 282 N 0.56 1.10 0.08 0.00 2.07 -1.31 0.14 116.25 118.89 3fkl h VAL 282 Ca 0.14 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.47 3fkl h VAL 282 Cb 0.22 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3fkl h VAL 282 CO -0.01 0.11 -0.13 -0.78 0.02 0.00 0.00 177.57 176.78 3fkl h ASP 283 N 0.58 -0.35 -0.76 0.57 3.58 -1.02 -1.73 116.42 117.30 3fkl h ASP 283 Ca 0.17 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.69 3fkl h ASP 283 Cb -0.05 0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.09 3fkl h ASP 283 CO -0.05 -0.19 0.48 0.25 -2.88 0.00 0.00 179.24 176.85 3fkl h LEU 284 N -0.26 0.79 -0.79 2.28 5.85 -0.94 -2.34 115.31 119.89 3fkl h LEU 284 Ca 0.02 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.80 3fkl h LEU 284 Cb 0.27 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 3fkl h LEU 284 CO -0.07 0.54 0.47 -0.07 -0.34 0.00 0.00 178.44 178.98 3fkl h LEU 285 N 0.93 0.73 -1.88 2.25 3.38 -0.76 -0.98 115.31 118.99 3fkl h LEU 285 Ca 0.30 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 3fkl h LEU 285 Cb 0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3fkl h LEU 285 CO -0.11 0.47 -0.09 -0.33 0.09 0.00 0.00 178.44 178.46 3fkl h GLU 286 N 0.86 0.00 0.00 1.13 5.08 -0.78 0.30 114.58 121.16 3fkl h GLU 286 Ca 0.35 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.64 3fkl h GLU 286 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3fkl h GLU 286 CO -0.18 0.09 -0.88 0.87 -1.00 0.00 0.00 179.01 177.92 3fkl h LYS 287 N 0.00 0.00 0.13 2.33 1.57 -1.03 -3.37 116.57 116.21 3fkl h LYS 287 Ca -0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 3fkl h LYS 287 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3fkl h LYS 287 CO 0.01 0.17 -1.62 0.52 -0.57 0.00 0.00 179.45 177.97 3fkl h MET 288 N 0.00 0.27 -2.49 3.15 2.86 -0.75 -1.90 114.93 116.07 3fkl h MET 288 Ca -0.05 -0.47 -0.68 0.00 -2.06 0.00 0.00 59.70 56.44 3fkl h MET 288 Cb 1.24 0.17 -0.13 0.00 0.06 0.00 0.00 31.60 32.95 3fkl h MET 288 CO 0.03 1.22 2.00 1.28 1.06 0.00 0.00 176.91 182.50 3fkl n LEU 289 N -3.77 7.72 -4.67 1.22 4.77 0.05 -4.31 117.00 118.00 3fkl n LEU 289 Ca -0.27 -4.69 -0.35 0.00 -0.03 0.00 0.00 56.01 50.68 3fkl n LEU 289 Cb 0.96 -1.34 -0.09 0.00 -2.33 0.00 0.00 43.42 40.62 3fkl n LEU 289 CO 0.43 1.99 -0.25 -0.69 -1.33 0.00 0.00 177.39 177.54 3fkl s VAL 290 N -1.27 4.80 0.11 4.08 1.01 -1.26 -4.89 120.40 122.99 3fkl s VAL 290 Ca 0.56 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.32 3fkl s VAL 290 Cb 0.23 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 3fkl s VAL 290 CO -0.12 0.50 1.66 0.25 0.00 0.00 0.00 175.10 177.39 3fkl h LEU 291 N 6.24 0.40 -8.88 3.92 5.85 -1.91 -3.40 115.31 117.53 3fkl h LEU 291 Ca -0.41 -0.16 -0.57 0.00 0.84 0.00 0.00 57.88 57.58 3fkl h LEU 291 Cb 1.18 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 3fkl h LEU 291 CO 0.67 0.45 1.05 -0.62 -0.34 0.00 0.00 178.44 179.65 3fkl s ASP 292 N -5.71 6.43 0.52 1.25 3.68 -1.26 -4.90 116.67 116.69 3fkl s ASP 292 Ca -0.13 1.07 0.26 0.00 2.13 0.00 0.00 52.55 55.87 3fkl s ASP 292 Cb 0.09 -2.54 1.43 0.00 -1.45 0.00 0.00 42.92 40.44 3fkl s ASP 292 CO 0.73 -1.31 2.08 0.77 0.13 0.00 0.00 175.17 177.57 3fkl h SER 293 N 10.34 0.00 0.43 -0.34 4.64 -1.98 -1.31 113.55 125.33 3fkl h SER 293 Ca -0.28 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 3fkl h SER 293 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3fkl h SER 293 CO 1.06 0.12 -0.13 0.44 -0.87 0.00 0.00 176.83 177.45 3fkl h ASP 294 N 0.00 0.00 -0.01 4.97 3.45 -1.95 -3.17 116.42 119.72 3fkl h ASP 294 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3fkl h ASP 294 Cb 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 3fkl h ASP 294 CO 0.02 0.13 -0.48 0.29 -1.57 0.00 0.00 179.24 177.62 3fkl n LYS 295 N -3.60 1.70 -1.99 3.56 5.02 -0.51 -4.99 118.16 117.35 3fkl n LYS 295 Ca -0.02 -0.54 -0.40 0.00 -2.02 0.00 0.00 58.31 55.34 3fkl n LYS 295 Cb 0.26 -1.27 -0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3fkl n LYS 295 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3fkl s ARG 296 N -2.13 3.92 0.49 1.97 3.52 -1.09 -4.98 118.95 120.66 3fkl s ARG 296 Ca 0.11 2.22 -0.24 0.00 -0.13 0.00 0.00 55.73 57.70 3fkl s ARG 296 Cb 0.13 -2.75 -0.07 0.00 -1.56 0.00 0.00 34.95 30.70 3fkl s ARG 296 CO 0.49 -0.56 1.41 -1.50 -0.81 0.00 0.00 175.30 174.34 3fkl s ILE 297 N -1.24 2.03 0.53 4.11 2.07 -0.71 -5.03 121.20 122.96 3fkl s ILE 297 Ca 0.57 0.03 -0.00 0.00 -1.41 0.00 0.00 60.65 59.84 3fkl s ILE 297 Cb -0.39 -3.01 0.02 0.00 0.13 0.00 0.00 42.46 39.20 3fkl s ILE 297 CO 0.51 0.00 0.77 0.42 -1.91 0.00 0.00 174.94 174.73 3fkl s THR 298 N -1.23 3.16 0.13 4.00 -4.23 -1.26 -4.90 115.64 111.30 3fkl s THR 298 Ca 0.65 -0.53 -0.18 0.00 -1.18 0.00 0.00 61.69 60.45 3fkl s THR 298 Cb -0.43 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 3fkl s THR 298 CO 0.54 -0.15 1.76 0.00 -0.54 0.00 0.00 174.62 176.23 3fkl h ALA 299 N 0.11 0.35 -0.41 3.99 0.00 -1.94 0.19 119.26 121.55 3fkl h ALA 299 Ca -0.44 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.46 3fkl h ALA 299 Cb 1.28 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3fkl h ALA 299 CO 0.55 -0.16 0.22 0.00 0.00 0.00 0.00 179.25 179.86 3fkl h ALA 300 N 1.07 0.52 -0.69 0.00 0.00 -1.93 -1.60 119.26 116.62 3fkl h ALA 300 Ca 0.10 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3fkl h ALA 300 Cb -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3fkl h ALA 300 CO -0.02 -0.13 0.19 1.96 0.00 0.00 0.00 179.25 181.25 3fkl h GLN 301 N 0.44 1.09 -0.49 0.00 4.20 -1.91 -3.08 115.11 115.36 3fkl h GLN 301 Ca 0.17 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 3fkl h GLN 301 Cb 0.06 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3fkl h GLN 301 CO -0.11 0.95 0.13 0.00 -0.67 0.00 0.00 178.83 179.13 3fkl h ALA 302 N 1.09 1.32 0.00 3.87 0.00 -0.07 -2.52 119.26 122.94 3fkl h ALA 302 Ca 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3fkl h ALA 302 Cb 0.33 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3fkl h ALA 302 CO -0.00 0.49 -0.11 -0.07 0.00 0.00 0.00 179.25 179.56 3fkl h LEU 303 N 0.71 0.00 -0.35 0.00 3.38 -1.22 -1.66 115.31 116.18 3fkl h LEU 303 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3fkl h LEU 303 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3fkl h LEU 303 CO -0.01 0.11 -0.20 0.00 0.09 0.00 0.00 178.44 178.43 3fkl n ALA 304 N -2.37 2.95 -1.77 1.53 0.00 -0.96 -4.74 120.51 115.16 3fkl n ALA 304 Ca -0.02 -0.34 -0.39 0.00 0.00 0.00 0.00 53.44 52.69 3fkl n ALA 304 Cb 0.20 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3fkl n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fkl s HIS 305 N -2.53 2.68 0.62 0.00 5.04 -0.63 -4.90 115.29 115.58 3fkl s HIS 305 Ca 0.25 1.37 0.29 0.00 -1.54 0.00 0.00 55.06 55.44 3fkl s HIS 305 Cb 0.19 -3.73 1.58 0.00 0.04 0.00 0.00 32.58 30.66 3fkl s HIS 305 CO 0.51 -2.35 1.96 0.00 -2.34 0.00 0.00 174.74 172.52 3fkl h ALA 306 N 2.46 1.81 0.00 1.58 0.00 -1.91 -1.86 119.26 121.34 3fkl h ALA 306 Ca -0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3fkl h ALA 306 Cb 1.26 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3fkl h ALA 306 CO 0.62 -0.49 -0.05 -0.92 0.00 0.00 0.00 179.25 178.40 3fkl h TYR 307 N 0.00 0.00 -0.61 0.00 3.20 -1.90 -2.78 116.97 114.88 3fkl h TYR 307 Ca 0.11 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.71 3fkl h TYR 307 Cb 0.84 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 38.95 3fkl h TYR 307 CO 0.00 0.05 0.22 1.19 -1.64 0.00 0.00 178.16 177.98 3fkl n PHE 308 N -4.14 1.91 -0.14 -3.82 3.01 -0.70 -4.76 117.46 108.83 3fkl n PHE 308 Ca -0.03 -1.56 0.08 0.00 1.01 0.00 0.00 57.45 56.95 3fkl n PHE 308 Cb 0.14 -0.65 0.40 0.00 -0.01 0.00 0.00 39.48 39.35 3fkl n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fkl h ALA 309 N 1.31 1.78 -0.00 4.37 0.00 -1.64 0.15 119.26 125.23 3fkl h ALA 309 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3fkl h ALA 309 Cb 2.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3fkl h ALA 309 CO 0.66 0.11 -0.07 0.00 0.00 0.00 0.00 179.25 179.95 3fkl n GLN 310 N -4.48 0.16 -0.02 0.00 10.64 -1.26 -3.99 117.38 118.44 3fkl n GLN 310 Ca 0.10 -0.02 -0.01 0.00 -1.83 0.00 0.00 57.00 55.23 3fkl n GLN 310 Cb 0.25 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.10 3fkl n GLN 310 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3fkl n TYR 311 N -1.40 0.00 -1.71 2.61 4.02 -0.63 -5.04 117.16 115.00 3fkl n TYR 311 Ca 0.09 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.56 3fkl n TYR 311 Cb 0.31 -0.17 -0.03 0.00 -0.02 0.00 0.00 39.34 39.43 3fkl n TYR 311 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3fkl s HIS 312 N -2.11 2.31 -0.24 -0.72 2.46 0.43 -4.98 115.29 112.44 3fkl s HIS 312 Ca -0.02 0.05 -0.04 0.00 0.47 0.00 0.00 55.06 55.52 3fkl s HIS 312 Cb 0.01 -4.17 0.08 0.00 -0.13 0.00 0.00 32.58 28.37 3fkl s HIS 312 CO 0.15 -4.77 0.11 0.34 -2.47 0.00 0.00 174.74 168.11 3fkl s ASP 313 N 2.38 3.07 0.60 9.88 3.68 -1.26 -4.99 116.67 130.03 3fkl s ASP 313 Ca 0.80 -1.02 0.31 0.00 2.13 0.00 0.00 52.55 54.76 3fkl s ASP 313 Cb -0.47 -0.32 1.80 0.00 -1.45 0.00 0.00 42.92 42.48 3fkl s ASP 313 CO 0.35 -0.40 2.18 -0.65 0.13 0.00 0.00 175.17 176.79 3fkl h PRO 314 N 8.41 0.00 -0.01 4.34 0.11 -1.97 0.61 132.00 143.49 3fkl h PRO 314 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3fkl h PRO 314 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3fkl h PRO 314 CO 0.38 0.00 -0.13 -0.25 -0.21 0.00 0.00 178.00 177.79 3fkl n ASP 315 N -3.72 1.18 -2.37 -2.05 10.43 -1.26 -4.15 116.55 114.60 3fkl n ASP 315 Ca -0.01 -1.13 -0.13 0.00 2.57 0.00 0.00 54.79 56.09 3fkl n ASP 315 Cb 0.20 0.06 0.03 0.00 1.84 0.00 0.00 41.12 43.26 3fkl n ASP 315 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3fkl n ASP 316 N -0.32 3.43 -3.34 -2.24 2.03 0.20 -4.85 116.55 111.46 3fkl n ASP 316 Ca 0.15 -2.99 -0.26 0.00 0.52 0.00 0.00 54.79 52.22 3fkl n ASP 316 Cb 0.34 -0.40 -0.09 0.00 -0.72 0.00 0.00 41.12 40.26 3fkl n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3fkl n GLU 317 N -0.66 0.80 -1.61 -0.67 1.02 -1.20 -4.87 120.64 113.45 3fkl n GLU 317 Ca 0.28 -3.45 -0.31 0.00 -0.02 0.00 0.00 57.16 53.65 3fkl n GLU 317 Cb 0.89 -1.56 0.05 0.00 -0.02 0.00 0.00 31.44 30.80 3fkl n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3fkl s PRO 318 N -0.91 2.95 0.35 3.49 0.04 -1.26 -4.98 135.00 134.69 3fkl s PRO 318 Ca 0.34 1.00 0.07 0.00 0.04 0.00 0.00 61.00 62.45 3fkl s PRO 318 Cb 0.11 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 3fkl s PRO 318 CO -0.14 -1.09 0.39 0.14 0.04 0.00 0.00 177.00 176.35 3fkl s VAL 319 N -2.96 3.58 0.47 -0.36 -7.23 -1.26 -4.21 120.40 108.43 3fkl s VAL 319 Ca 0.59 -1.19 -0.13 0.00 -1.81 0.00 0.00 61.98 59.44 3fkl s VAL 319 Cb -0.14 -3.23 -0.07 0.00 0.56 0.00 0.00 36.38 33.50 3fkl s VAL 319 CO 0.53 -0.13 0.88 0.00 -0.31 0.00 0.00 175.10 176.07 3fkl s ALA 320 N -2.28 3.22 0.80 1.32 0.00 -1.26 -5.03 121.76 118.53 3fkl s ALA 320 Ca 0.45 -0.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.23 3fkl s ALA 320 Cb -0.07 -2.90 0.08 0.00 0.00 0.00 0.00 23.12 20.23 3fkl s ALA 320 CO 0.29 -0.19 1.13 -0.51 0.00 0.00 0.00 175.76 176.48 3fkl s ASP 321 N -3.29 3.95 0.18 0.00 -0.00 -1.26 -4.81 116.67 111.44 3fkl s ASP 321 Ca 0.54 2.07 -0.33 0.00 -0.00 0.00 0.00 52.55 54.83 3fkl s ASP 321 Cb -0.10 -2.55 -0.15 0.00 -0.00 0.00 0.00 42.92 40.11 3fkl s ASP 321 CO 0.34 -2.41 1.28 -2.65 -0.00 0.00 0.00 175.17 171.73 3fkl n PRO 322 N -3.52 1.47 -3.99 8.23 -0.02 -1.26 -4.82 135.00 131.09 3fkl n PRO 322 Ca 0.11 0.52 -0.34 0.00 -2.02 0.00 0.00 63.50 61.78 3fkl n PRO 322 Cb 0.52 -2.10 -0.14 0.00 -0.02 0.00 0.00 33.50 31.75 3fkl n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3fkl s TYR 323 N 0.01 3.13 -0.58 6.00 5.04 -1.26 -5.08 117.35 124.62 3fkl s TYR 323 Ca 0.74 -1.82 -0.26 0.00 -2.44 0.00 0.00 57.07 53.28 3fkl s TYR 323 Cb -0.80 -2.03 0.04 0.00 0.35 0.00 0.00 41.96 39.52 3fkl s TYR 323 CO 0.50 -0.79 1.09 0.34 -1.34 0.00 0.00 175.55 175.35 3fkl s ASP 324 N 1.25 6.38 -0.29 4.32 -1.08 -1.26 -4.87 116.67 121.12 3fkl s ASP 324 Ca -0.03 -0.14 0.08 0.00 -0.52 0.00 0.00 52.55 51.95 3fkl s ASP 324 Cb -0.18 -2.50 0.45 0.00 -1.46 0.00 0.00 42.92 39.23 3fkl s ASP 324 CO -0.05 -1.39 1.30 0.00 0.52 0.00 0.00 175.17 175.55 3fkl n GLN 325 N 8.07 2.57 0.32 4.34 10.64 -1.26 -4.69 117.38 137.37 3fkl n GLN 325 Ca 0.05 -3.66 0.20 0.00 -1.83 0.00 0.00 57.00 51.77 3fkl n GLN 325 Cb 0.48 -1.98 1.11 0.00 -0.86 0.00 0.00 30.24 29.00 3fkl n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3fkl h SER 326 N 1.57 0.00 0.06 2.61 4.64 -2.02 -2.01 113.55 118.40 3fkl h SER 326 Ca 0.24 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3fkl h SER 326 Cb 1.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3fkl h SER 326 CO 0.49 0.00 -0.02 2.19 -0.87 0.00 0.00 176.83 178.62 3fkl h PHE 327 N 0.00 0.00 -0.07 4.77 -5.15 -1.96 -2.87 116.94 111.65 3fkl h PHE 327 Ca -0.00 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.74 3fkl h PHE 327 Cb 0.03 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.20 3fkl h PHE 327 CO 0.00 0.02 -0.08 0.93 -2.00 0.00 0.00 178.31 177.18 3fkl h GLU 328 N 0.00 0.10 -0.60 6.09 4.39 -1.75 -1.54 114.58 121.26 3fkl h GLU 328 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3fkl h GLU 328 Cb 0.06 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3fkl h GLU 328 CO 0.00 0.19 0.00 -1.13 -1.16 0.00 0.00 179.01 176.91 3fkl n SER 329 N -4.39 5.24 -4.72 1.42 3.41 -1.08 -4.94 113.62 108.55 3fkl n SER 329 Ca -0.02 -2.71 -0.35 0.00 -0.26 0.00 0.00 58.87 55.53 3fkl n SER 329 Cb 0.19 -0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 63.42 3fkl n SER 329 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3fkl s ARG 330 N -2.34 3.68 -0.30 4.33 3.52 -0.58 -5.08 118.95 122.19 3fkl s ARG 330 Ca 0.53 -0.28 -0.13 0.00 -0.13 0.00 0.00 55.73 55.72 3fkl s ARG 330 Cb 0.37 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.57 3fkl s ARG 330 CO 0.20 0.49 0.26 -0.51 -0.81 0.00 0.00 175.30 174.93 3fkl s ASP 331 N -0.24 6.09 0.11 -2.12 1.01 -1.26 -5.03 116.67 115.23 3fkl s ASP 331 Ca 0.09 -0.06 0.01 0.00 0.71 0.00 0.00 52.55 53.30 3fkl s ASP 331 Cb -0.12 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 3fkl s ASP 331 CO 0.01 -0.15 -0.03 -0.76 0.21 0.00 0.00 175.17 174.46 3fkl s LEU 332 N 1.85 2.30 0.58 1.23 1.43 -1.26 -5.15 118.68 119.65 3fkl s LEU 332 Ca 0.09 -1.08 -0.09 0.00 -1.03 0.00 0.00 54.13 52.02 3fkl s LEU 332 Cb -0.16 0.03 -0.04 0.00 0.03 0.00 0.00 46.19 46.05 3fkl s LEU 332 CO 0.11 -0.55 0.96 -0.76 0.23 0.00 0.00 176.35 176.33 3fkl s LEU 333 N -3.06 3.35 0.18 1.79 1.43 -1.26 -4.87 118.68 116.25 3fkl s LEU 333 Ca 0.16 1.27 -0.21 0.00 -1.03 0.00 0.00 54.13 54.32 3fkl s LEU 333 Cb 0.06 -4.29 0.11 0.00 0.03 0.00 0.00 46.19 42.10 3fkl s LEU 333 CO -0.03 -0.78 1.60 0.40 0.23 0.00 0.00 176.35 177.77 3fkl h ILE 334 N -0.15 0.22 -0.19 -0.59 2.04 -1.93 -0.59 117.51 116.32 3fkl h ILE 334 Ca -0.45 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.45 3fkl h ILE 334 Cb 1.19 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3fkl h ILE 334 CO 0.62 0.00 0.13 0.44 0.00 0.00 0.00 178.15 179.34 3fkl h ASP 335 N -0.18 0.06 -0.11 1.72 3.45 -1.96 0.22 116.42 119.62 3fkl h ASP 335 Ca 0.21 -0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.52 3fkl h ASP 335 Cb 0.53 -0.01 0.01 0.00 -0.56 0.00 0.00 39.33 39.29 3fkl h ASP 335 CO -0.61 0.04 -0.52 -0.33 -1.57 0.00 0.00 179.24 176.25 3fkl h GLU 336 N 0.07 0.55 -0.67 3.56 5.08 -1.53 -1.53 114.58 120.11 3fkl h GLU 336 Ca 0.09 -0.44 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 3fkl h GLU 336 Cb 0.25 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3fkl h GLU 336 CO -0.01 1.07 0.23 -1.49 -1.00 0.00 0.00 179.01 177.81 3fkl h TRP 337 N 0.16 1.06 -0.65 4.33 4.06 -0.59 -2.37 115.95 121.95 3fkl h TRP 337 Ca -0.03 -0.10 -0.00 0.00 2.06 0.00 0.00 58.89 60.82 3fkl h TRP 337 Cb 1.16 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 28.98 3fkl h TRP 337 CO 0.11 0.85 0.40 -0.22 -3.56 0.00 0.00 178.44 176.02 3fkl h LYS 338 N 0.96 0.88 -0.34 0.49 3.64 -0.59 -1.06 116.57 120.55 3fkl h LYS 338 Ca 0.22 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.37 3fkl h LYS 338 Cb 0.27 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3fkl h LYS 338 CO -0.01 0.62 -0.40 1.03 -2.27 0.00 0.00 179.45 178.42 3fkl h SER 339 N 0.88 0.89 -0.72 4.20 0.87 -1.22 -1.01 113.55 117.44 3fkl h SER 339 Ca 0.23 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 3fkl h SER 339 Cb -0.04 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.63 3fkl h SER 339 CO -0.05 1.17 0.41 -0.07 -0.53 0.00 0.00 176.83 177.77 3fkl h LEU 340 N 0.68 0.88 -0.35 2.23 3.38 -1.25 -1.60 115.31 119.28 3fkl h LEU 340 Ca 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3fkl h LEU 340 Cb 0.97 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3fkl h LEU 340 CO 0.09 0.71 0.18 0.74 0.09 0.00 0.00 178.44 180.25 3fkl h THR 341 N 0.98 1.15 -0.36 0.22 2.02 -0.97 -2.70 112.91 113.25 3fkl h THR 341 Ca 0.25 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 67.05 3fkl h THR 341 Cb 0.01 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3fkl h THR 341 CO -0.04 0.16 0.17 0.22 0.37 0.00 0.00 175.52 176.40 3fkl h TYR 342 N 0.44 0.32 -0.84 3.16 3.20 -0.92 -1.17 116.97 121.15 3fkl h TYR 342 Ca 0.12 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.15 3fkl h TYR 342 Cb 0.09 -0.09 -0.09 0.00 1.54 0.00 0.00 36.73 38.17 3fkl h TYR 342 CO -0.02 0.17 0.43 -0.44 -1.64 0.00 0.00 178.16 176.66 3fkl h ASP 343 N 0.36 0.52 -0.45 -2.11 3.32 -1.20 -0.97 116.42 115.90 3fkl h ASP 343 Ca 0.15 0.09 -0.14 0.00 0.02 0.00 0.00 57.03 57.16 3fkl h ASP 343 Cb 0.06 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3fkl h ASP 343 CO -0.11 0.22 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.04 3fkl h GLU 344 N 0.62 0.96 0.03 3.56 4.39 -1.01 -2.00 114.58 121.13 3fkl h GLU 344 Ca 0.46 -0.44 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 3fkl h GLU 344 Cb 0.65 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3fkl h GLU 344 CO -0.36 1.11 -0.02 0.28 -1.16 0.00 0.00 179.01 178.86 3fkl h VAL 345 N 0.80 0.98 -0.70 3.13 2.07 -0.75 -2.87 116.25 118.91 3fkl h VAL 345 Ca 0.09 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 3fkl h VAL 345 Cb 0.84 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3fkl h VAL 345 CO 0.07 0.01 0.29 0.40 0.02 0.00 0.00 177.57 178.37 3fkl h ILE 346 N -0.06 1.24 -0.00 4.57 1.08 -1.16 -2.79 117.51 120.39 3fkl h ILE 346 Ca -0.00 -0.72 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 3fkl h ILE 346 Cb 0.05 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.19 3fkl h ILE 346 CO 0.01 0.29 -0.08 -1.54 -0.69 0.00 0.00 178.15 176.14 3fkl n SER 347 N -4.31 0.26 -4.70 1.72 3.41 -0.76 -4.92 113.62 104.32 3fkl n SER 347 Ca 0.06 -0.34 -0.43 0.00 -0.26 0.00 0.00 58.87 57.90 3fkl n SER 347 Cb 0.17 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 3fkl n SER 347 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3fkl n PHE 348 N -1.14 2.50 -4.24 7.33 7.35 -1.05 -5.01 117.46 123.21 3fkl n PHE 348 Ca 0.14 0.29 -0.33 0.00 -0.76 0.00 0.00 57.45 56.80 3fkl n PHE 348 Cb 0.27 -2.55 -0.16 0.00 0.35 0.00 0.00 39.48 37.39 3fkl n PHE 348 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3fkl s VAL 349 N 0.25 2.02 0.62 -2.13 1.01 -1.26 -5.08 120.40 115.82 3fkl s VAL 349 Ca 0.69 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 3fkl s VAL 349 Cb -0.58 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 3fkl s VAL 349 CO 0.45 0.53 1.15 -0.81 0.00 0.00 0.00 175.10 176.42 3fkl n PRO 350 N 4.50 1.06 -1.20 2.72 -0.04 -1.26 -5.00 135.00 135.79 3fkl n PRO 350 Ca -0.20 0.41 -0.31 0.00 -0.04 0.00 0.00 63.50 63.36 3fkl n PRO 350 Cb 0.50 -2.36 0.10 0.00 -0.04 0.00 0.00 33.50 31.70 3fkl n PRO 350 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3fkl s PRO 351 N -3.04 2.08 0.00 0.54 0.04 -1.26 -5.15 135.00 128.21 3fkl s PRO 351 Ca 0.79 1.19 0.11 0.00 0.04 0.00 0.00 61.00 63.13 3fkl s PRO 351 Cb -0.40 -1.87 0.63 0.00 0.04 0.00 0.00 34.50 32.90 3fkl s PRO 351 CO 0.44 -1.78 1.07 -2.30 0.04 0.00 0.00 177.00 174.48