#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fko s PRO 6 N 0.00 0.59 0.06 -0.14 0.04 -1.26 -5.02 135.00 129.28 3fko s PRO 6 Ca 0.00 0.75 -0.27 0.00 0.04 0.00 0.00 61.00 61.51 3fko s PRO 6 Cb 0.00 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.75 3fko s PRO 6 CO 0.00 -2.68 0.85 0.99 0.04 0.00 0.00 177.00 176.20 3fko s THR 7 N -2.86 4.66 0.01 1.26 2.01 -1.26 -5.01 115.64 114.46 3fko s THR 7 Ca 0.65 1.83 0.01 0.00 0.31 0.00 0.00 61.69 64.49 3fko s THR 7 Cb -0.20 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 3fko s THR 7 CO 0.58 0.33 0.03 -0.36 -0.69 0.00 0.00 174.62 174.51 3fko s PHE 8 N 0.07 3.14 0.11 4.92 0.08 -1.26 -1.68 117.98 123.36 3fko s PHE 8 Ca 0.43 0.11 0.09 0.00 0.12 0.00 0.00 56.93 57.68 3fko s PHE 8 Cb -0.22 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 3fko s PHE 8 CO 0.26 0.50 -0.23 1.52 -0.10 0.00 0.00 175.22 177.17 3fko s TYR 9 N -1.17 1.93 0.05 0.36 -0.85 -0.09 -4.92 117.35 112.66 3fko s TYR 9 Ca 0.22 -0.41 -0.00 0.00 -0.52 0.00 0.00 57.07 56.36 3fko s TYR 9 Cb -0.12 -1.06 -0.04 0.00 0.38 0.00 0.00 41.96 41.13 3fko s TYR 9 CO 0.13 0.24 0.19 1.03 -1.52 0.00 0.00 175.55 175.62 3fko s ARG 10 N -1.95 3.36 -0.28 -3.49 0.52 -1.26 -2.26 118.95 113.60 3fko s ARG 10 Ca 0.09 -0.44 -0.19 0.00 -0.52 0.00 0.00 55.73 54.66 3fko s ARG 10 Cb -0.10 -3.01 0.09 0.00 0.52 0.00 0.00 34.95 32.45 3fko s ARG 10 CO 0.05 0.62 0.78 -1.14 0.02 0.00 0.00 175.30 175.62 3fko s GLN 11 N -2.35 0.66 -0.18 3.54 0.74 -0.49 -5.00 119.66 116.59 3fko s GLN 11 Ca 0.32 1.03 -0.20 0.00 0.05 0.00 0.00 55.36 56.56 3fko s GLN 11 Cb -0.13 0.19 -0.03 0.00 1.10 0.00 0.00 33.01 34.15 3fko s GLN 11 CO 0.25 -0.12 0.60 -2.00 -0.55 0.00 0.00 175.29 173.47 3fko s GLU 12 N 1.21 4.24 0.00 1.67 2.12 -1.26 0.14 118.70 126.82 3fko s GLU 12 Ca -0.07 0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.86 3fko s GLU 12 Cb -0.05 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.80 3fko s GLU 12 CO -0.14 -0.15 0.00 1.28 -0.54 0.00 0.00 175.26 175.71 3fko n LEU 13 N 4.74 0.00 -3.30 2.70 4.77 -0.52 -4.92 117.00 120.46 3fko n LEU 13 Ca -0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.65 3fko n LEU 13 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 3fko n LEU 13 CO 0.44 0.00 2.60 0.59 -1.33 0.00 0.00 177.39 179.69 3fko n ASN 14 N 0.00 5.47 0.00 -1.43 5.03 -1.26 -4.41 115.26 118.66 3fko n ASN 14 Ca 0.00 -2.46 0.00 0.00 0.87 0.00 0.00 54.58 52.99 3fko n ASN 14 Cb 0.00 -1.25 0.00 0.00 -1.02 0.00 0.00 39.78 37.51 3fko n ASN 14 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 3fko n LYS 15 N 4.54 -0.30 -4.42 3.52 3.00 -1.26 -4.90 118.16 118.34 3fko n LYS 15 Ca 0.54 0.05 -0.21 0.00 -0.00 0.00 0.00 58.31 58.70 3fko n LYS 15 Cb 0.21 -3.66 -0.10 0.00 0.00 0.00 0.00 35.03 31.47 3fko n LYS 15 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 3fko s THR 16 N -0.73 1.53 -0.41 3.15 -1.32 -1.26 -5.11 115.64 111.49 3fko s THR 16 Ca 0.00 -2.10 -0.24 0.00 -1.21 0.00 0.00 61.69 58.14 3fko s THR 16 Cb 0.00 -2.47 0.02 0.00 -1.51 0.00 0.00 72.50 68.54 3fko s THR 16 CO 0.00 -0.28 0.85 -0.63 -2.21 0.00 0.00 174.62 172.35 3fko s ILE 17 N -3.08 4.61 -0.16 5.08 -1.09 -1.26 -1.44 121.20 123.86 3fko s ILE 17 Ca 0.30 0.80 -0.20 0.00 -2.23 0.00 0.00 60.65 59.32 3fko s ILE 17 Cb 0.04 -4.32 -0.03 0.00 -1.58 0.00 0.00 42.46 36.57 3fko s ILE 17 CO 0.12 -0.63 0.59 0.26 -1.23 0.00 0.00 174.94 174.05 3fko s TRP 18 N 3.40 3.43 -0.30 3.97 0.52 0.12 -4.92 118.94 125.16 3fko s TRP 18 Ca 0.34 0.94 0.03 0.00 0.02 0.00 0.00 56.10 57.44 3fko s TRP 18 Cb -0.12 -2.73 0.08 0.00 -1.15 0.00 0.00 33.47 29.56 3fko s TRP 18 CO 0.21 -0.05 -0.02 -2.00 0.02 0.00 0.00 176.95 175.11 3fko s GLU 19 N 1.44 1.76 0.15 4.98 2.12 -1.26 -1.39 118.70 126.49 3fko s GLU 19 Ca 0.29 -1.61 0.08 0.00 0.36 0.00 0.00 54.97 54.08 3fko s GLU 19 Cb -0.16 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 3fko s GLU 19 CO 0.11 -0.78 -0.18 0.14 -0.54 0.00 0.00 175.26 174.01 3fko s VAL 20 N 1.02 1.73 0.65 3.70 -7.23 -0.96 -4.61 120.40 114.70 3fko s VAL 20 Ca 0.03 -1.85 -0.18 0.00 -1.81 0.00 0.00 61.98 58.16 3fko s VAL 20 Cb -0.19 -1.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.97 3fko s VAL 20 CO -0.07 -0.31 1.27 -2.65 -0.31 0.00 0.00 175.10 173.02 3fko n PRO 21 N 0.40 1.08 0.03 4.82 -0.02 -1.26 -0.91 135.00 139.13 3fko n PRO 21 Ca -0.14 0.43 0.18 0.00 -2.02 0.00 0.00 63.50 61.94 3fko n PRO 21 Cb 0.57 -2.50 0.67 0.00 -0.02 0.00 0.00 33.50 32.21 3fko n PRO 21 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3fko h GLU 22 N 0.50 0.03 -0.80 -0.52 5.08 -1.68 -2.11 114.58 115.08 3fko h GLU 22 Ca -0.51 -0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.06 3fko h GLU 22 Cb 1.34 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.54 3fko h GLU 22 CO 0.53 0.02 0.55 0.07 -1.00 0.00 0.00 179.01 179.18 3fko h ARG 23 N 0.03 0.17 -5.47 2.33 0.11 -1.91 -3.38 114.38 106.27 3fko h ARG 23 Ca 0.22 -0.01 -0.63 0.00 0.10 0.00 0.00 59.98 59.66 3fko h ARG 23 Cb 0.85 -0.04 -0.14 0.00 1.11 0.00 0.00 29.97 31.75 3fko h ARG 23 CO -0.01 0.11 0.13 0.71 0.10 0.00 0.00 179.97 181.01 3fko s TYR 24 N -5.17 3.15 0.29 4.08 2.02 -0.80 -0.98 117.35 119.94 3fko s TYR 24 Ca -0.06 0.32 0.09 0.00 -0.37 0.00 0.00 57.07 57.05 3fko s TYR 24 Cb 0.21 -3.14 -0.06 0.00 -0.40 0.00 0.00 41.96 38.58 3fko s TYR 24 CO 0.77 -0.63 -0.12 -0.65 -1.57 0.00 0.00 175.55 173.35 3fko s GLN 25 N 2.70 1.63 -1.27 -0.62 -1.52 -0.08 -4.85 119.66 115.65 3fko s GLN 25 Ca 0.24 -1.80 -0.01 0.00 -1.95 0.00 0.00 55.36 51.84 3fko s GLN 25 Cb -0.14 -1.47 0.01 0.00 -0.22 0.00 0.00 33.01 31.18 3fko s GLN 25 CO 0.15 0.16 0.90 0.09 -0.25 0.00 0.00 175.29 176.34 3fko n ASN 26 N -0.63 -2.15 -4.73 5.90 5.03 -1.26 -0.79 115.26 116.64 3fko n ASN 26 Ca -0.06 -0.70 -0.42 0.00 0.87 0.00 0.00 54.58 54.28 3fko n ASN 26 Cb 0.62 -4.65 -0.03 0.00 -1.02 0.00 0.00 39.78 34.70 3fko n ASN 26 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3fko s LEU 27 N -6.60 4.39 -0.13 3.41 1.02 -1.26 -4.43 118.68 115.08 3fko s LEU 27 Ca 0.08 2.40 -0.05 0.00 0.02 0.00 0.00 54.13 56.57 3fko s LEU 27 Cb -0.04 -3.60 0.06 0.00 0.02 0.00 0.00 46.19 42.63 3fko s LEU 27 CO 0.77 -0.62 0.28 -0.55 0.02 0.00 0.00 176.35 176.24 3fko s SER 28 N 0.78 -0.00 0.32 2.29 0.15 -0.21 -4.97 113.70 112.06 3fko s SER 28 Ca 0.62 0.62 -0.29 0.00 0.70 0.00 0.00 55.95 57.59 3fko s SER 28 Cb -0.38 0.63 -0.12 0.00 -1.71 0.00 0.00 66.02 64.44 3fko s SER 28 CO 0.34 -0.21 1.41 -2.65 1.20 0.00 0.00 173.24 173.33 3fko n PRO 29 N 4.82 2.33 -4.85 5.44 -0.02 -1.26 0.51 135.00 141.96 3fko n PRO 29 Ca -0.15 0.82 -0.26 0.00 -2.02 0.00 0.00 63.50 61.89 3fko n PRO 29 Cb 0.51 -2.48 -0.15 0.00 -0.02 0.00 0.00 33.50 31.36 3fko n PRO 29 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3fko s VAL 30 N -0.72 1.60 -1.03 -1.45 -7.23 -0.78 -4.77 120.40 106.01 3fko s VAL 30 Ca 0.59 -0.97 -0.16 0.00 -1.81 0.00 0.00 61.98 59.62 3fko s VAL 30 Cb -0.55 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.04 3fko s VAL 30 CO 0.58 0.36 0.72 0.61 -0.31 0.00 0.00 175.10 177.06 3fko n GLY 31 N 2.33 -1.07 3.52 2.32 0.00 -1.26 -4.56 105.19 106.47 3fko n GLY 31 Ca -0.16 0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 3fko n GLY 31 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fko n SER 32 N -2.46 0.65 0.00 1.61 7.64 -1.26 -0.34 113.62 119.46 3fko n SER 32 Ca -0.13 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.50 3fko n SER 32 Cb 0.60 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 3fko n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fko n GLY 33 N 6.24 3.08 0.28 0.23 0.00 -1.25 -4.95 105.19 108.83 3fko n GLY 33 Ca 0.57 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 45.67 3fko n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fko h ALA 34 N 0.00 0.23 -0.02 4.61 0.00 -1.00 -1.43 119.26 121.65 3fko h ALA 34 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3fko h ALA 34 Cb 0.00 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3fko h ALA 34 CO 0.00 -0.53 -0.12 0.66 0.00 0.00 0.00 179.25 179.27 3fko n TYR 35 N -5.44 0.00 0.00 0.00 4.01 -1.24 -5.07 117.16 109.42 3fko n TYR 35 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 3fko n TYR 35 Cb 0.34 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 3fko n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fko n GLY 36 N 1.35 0.45 3.38 2.72 0.00 -0.54 -4.72 105.19 107.83 3fko n GLY 36 Ca 0.13 -1.79 -0.44 0.00 0.00 0.00 0.00 46.02 43.92 3fko n GLY 36 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fko n SER 37 N 0.00 5.30 -4.32 1.61 2.88 -1.26 -3.92 113.62 113.91 3fko n SER 37 Ca 0.00 -3.01 -0.32 0.00 -1.33 0.00 0.00 58.87 54.21 3fko n SER 37 Cb 0.00 -1.52 -0.15 0.00 -0.75 0.00 0.00 64.21 61.79 3fko n SER 37 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3fko s VAL 38 N 0.82 2.59 -0.04 2.46 1.01 -1.26 -1.15 120.40 124.83 3fko s VAL 38 Ca 0.40 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3fko s VAL 38 Cb -0.03 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3fko s VAL 38 CO -0.01 0.55 -0.18 0.00 0.00 0.00 0.00 175.10 175.46 3fko s ALA 40 N -0.67 3.13 0.15 0.00 0.00 0.18 0.09 121.76 124.64 3fko s ALA 40 Ca 0.10 0.59 -0.15 0.00 0.00 0.00 0.00 51.96 52.50 3fko s ALA 40 Cb -0.11 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.82 3fko s ALA 40 CO 0.00 -0.01 0.41 0.00 0.00 0.00 0.00 175.76 176.17 3fko s ALA 41 N -1.72 -0.81 -0.22 0.00 0.00 0.19 -1.05 121.76 118.15 3fko s ALA 41 Ca 0.55 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 52.24 3fko s ALA 41 Cb -0.19 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 3fko s ALA 41 CO 0.24 -0.68 0.08 0.12 0.00 0.00 0.00 175.76 175.52 3fko s PHE 42 N -3.84 3.17 -0.59 0.00 5.36 0.03 -0.12 117.98 121.99 3fko s PHE 42 Ca 0.06 -0.14 -0.21 0.00 -0.96 0.00 0.00 56.93 55.68 3fko s PHE 42 Cb 0.01 -2.18 0.07 0.00 -0.34 0.00 0.00 43.02 40.59 3fko s PHE 42 CO -0.08 -0.11 0.79 0.34 -1.46 0.00 0.00 175.22 174.70 3fko s ASP 43 N 1.07 6.21 0.60 6.13 2.15 -0.34 -0.91 116.67 131.58 3fko s ASP 43 Ca 0.05 -1.04 0.38 0.00 0.43 0.00 0.00 52.55 52.36 3fko s ASP 43 Cb -0.14 -2.35 1.79 0.00 -0.30 0.00 0.00 42.92 41.92 3fko s ASP 43 CO 0.03 -1.17 2.14 0.71 -0.17 0.00 0.00 175.17 176.71 3fko h THR 44 N 5.94 0.01 -0.11 1.71 1.35 -1.36 0.29 112.91 120.73 3fko h THR 44 Ca -0.28 -0.32 -0.21 0.00 -0.55 0.00 0.00 66.41 65.05 3fko h THR 44 Cb 1.08 1.31 0.01 0.00 -1.73 0.00 0.00 68.15 68.83 3fko h THR 44 CO 1.09 0.00 -0.75 0.50 -0.25 0.00 0.00 175.52 176.11 3fko h LYS 45 N 0.00 0.71 0.00 4.72 3.11 -1.91 -3.37 116.57 119.82 3fko h LYS 45 Ca -0.00 -0.61 0.00 0.00 -2.81 0.00 0.00 60.65 57.23 3fko h LYS 45 Cb 0.31 0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.68 3fko h LYS 45 CO 0.00 1.22 -1.25 0.25 -2.81 0.00 0.00 179.45 176.86 3fko n THR 46 N -4.00 0.00 -1.05 1.00 -2.24 -1.09 -5.00 114.28 101.90 3fko n THR 46 Ca -0.08 -0.26 -0.02 0.00 -2.27 0.00 0.00 64.05 61.42 3fko n THR 46 Cb 0.73 0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 69.44 3fko n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fko n GLY 47 N 1.60 0.53 3.86 3.38 0.00 0.10 -5.03 105.19 109.63 3fko n GLY 47 Ca -0.01 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 3fko n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fko s LEU 48 N -0.40 4.43 -0.04 0.99 1.43 -1.19 -4.90 118.68 118.98 3fko s LEU 48 Ca 0.00 0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 53.52 3fko s LEU 48 Cb 0.00 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 3fko s LEU 48 CO 0.00 0.34 1.17 -0.13 0.23 0.00 0.00 176.35 177.96 3fko s ARG 49 N -1.17 4.38 0.21 1.70 0.52 -1.26 -1.20 118.95 122.12 3fko s ARG 49 Ca 0.21 1.65 0.09 0.00 -0.52 0.00 0.00 55.73 57.16 3fko s ARG 49 Cb -0.14 -3.53 -0.05 0.00 0.52 0.00 0.00 34.95 31.75 3fko s ARG 49 CO 0.10 -0.40 -0.18 0.14 0.02 0.00 0.00 175.30 174.99 3fko s VAL 50 N 2.01 2.01 -0.19 3.52 -7.23 0.83 -1.41 120.40 119.94 3fko s VAL 50 Ca 0.55 -2.15 -0.05 0.00 -1.81 0.00 0.00 61.98 58.52 3fko s VAL 50 Cb -0.24 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 3fko s VAL 50 CO 0.23 -0.41 0.01 0.00 -0.31 0.00 0.00 175.10 174.62 3fko s ALA 51 N -2.43 3.10 -0.21 1.32 0.00 0.34 -0.64 121.76 123.25 3fko s ALA 51 Ca 0.22 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.21 3fko s ALA 51 Cb -0.04 -1.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 3fko s ALA 51 CO 0.09 -0.04 -0.03 0.08 0.00 0.00 0.00 175.76 175.85 3fko s VAL 52 N 0.81 3.57 -0.21 0.00 1.01 0.11 -1.60 120.40 124.10 3fko s VAL 52 Ca 0.01 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 3fko s VAL 52 Cb -0.14 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 3fko s VAL 52 CO 0.02 0.43 0.00 -0.75 0.00 0.00 0.00 175.10 174.80 3fko s LYS 53 N 1.24 3.59 -0.23 2.72 2.20 0.46 -0.32 119.74 129.41 3fko s LYS 53 Ca 0.03 -0.53 -0.16 0.00 -0.36 0.00 0.00 55.97 54.96 3fko s LYS 53 Cb -0.14 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 3fko s LYS 53 CO -0.01 -0.04 0.40 0.21 -0.36 0.00 0.00 175.35 175.55 3fko s LYS 54 N 1.14 4.11 -0.00 4.03 2.20 -0.30 -0.46 119.74 130.46 3fko s LYS 54 Ca 0.03 0.15 -0.30 0.00 -0.36 0.00 0.00 55.97 55.49 3fko s LYS 54 Cb -0.14 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 3fko s LYS 54 CO 0.01 -0.15 1.23 -0.51 -0.36 0.00 0.00 175.35 175.57 3fko s LEU 55 N 1.66 4.32 -0.34 5.43 1.43 0.12 -4.43 118.68 126.86 3fko s LEU 55 Ca 0.18 1.93 -0.29 0.00 -1.03 0.00 0.00 54.13 54.92 3fko s LEU 55 Cb -0.15 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.51 3fko s LEU 55 CO 0.09 -0.56 1.23 -0.55 0.23 0.00 0.00 176.35 176.78 3fko s SER 56 N 1.37 6.71 -0.78 2.29 0.15 -1.26 -4.38 113.70 117.80 3fko s SER 56 Ca 0.58 1.03 -0.03 0.00 0.70 0.00 0.00 55.95 58.23 3fko s SER 56 Cb -0.27 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 3fko s SER 56 CO 0.25 -1.08 0.62 0.29 1.20 0.00 0.00 173.24 174.53 3fko n LYS 57 N 7.33 -1.54 0.17 5.44 5.02 -1.26 -4.86 118.16 128.45 3fko n LYS 57 Ca 0.14 0.95 0.03 0.00 -2.02 0.00 0.00 58.31 57.41 3fko n LYS 57 Cb 0.47 -2.94 0.29 0.00 -0.02 0.00 0.00 35.03 32.83 3fko n LYS 57 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3fko h PRO 58 N 0.04 0.00 -0.44 1.97 0.13 -1.80 -3.22 132.00 128.68 3fko h PRO 58 Ca -0.51 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.30 3fko h PRO 58 Cb 1.32 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.19 3fko h PRO 58 CO 0.34 0.46 -0.71 1.19 -0.23 0.00 0.00 178.00 179.05 3fko n PHE 59 N -3.73 1.61 -0.13 1.56 3.01 -1.26 -2.16 117.46 116.35 3fko n PHE 59 Ca -0.01 -1.91 -0.13 0.00 1.01 0.00 0.00 57.45 56.41 3fko n PHE 59 Cb 0.52 -0.30 -0.02 0.00 -0.01 0.00 0.00 39.48 39.68 3fko n PHE 59 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 3fko h GLN 60 N 1.72 0.95 -4.93 -1.08 4.15 -1.91 -3.46 115.11 110.55 3fko h GLN 60 Ca 0.20 -0.47 -0.49 0.00 0.77 0.00 0.00 58.65 58.66 3fko h GLN 60 Cb 1.33 -0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.89 3fko h GLN 60 CO 0.44 1.13 -0.49 -1.54 -1.93 0.00 0.00 178.83 176.44 3fko s SER 61 N -6.78 1.92 0.13 -0.69 1.04 -1.26 -5.02 113.70 103.04 3fko s SER 61 Ca -0.11 -1.76 -0.15 0.00 0.48 0.00 0.00 55.95 54.41 3fko s SER 61 Cb 0.11 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.79 3fko s SER 61 CO 0.88 -1.05 1.59 0.40 0.98 0.00 0.00 173.24 176.03 3fko h ILE 62 N 2.06 1.25 -0.71 -1.02 2.04 -1.94 -1.10 117.51 118.09 3fko h ILE 62 Ca -0.26 -0.95 -0.06 0.00 1.00 0.00 0.00 64.86 64.59 3fko h ILE 62 Cb 1.24 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 3fko h ILE 62 CO 0.39 0.33 0.22 0.40 0.00 0.00 0.00 178.15 179.49 3fko h ILE 63 N 0.55 1.26 -0.25 -0.67 2.04 -1.97 -0.66 117.51 117.81 3fko h ILE 63 Ca 0.12 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.04 3fko h ILE 63 Cb 0.43 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3fko h ILE 63 CO 0.01 0.35 -0.05 0.45 0.00 0.00 0.00 178.15 178.91 3fko h HIS 64 N 1.04 0.54 -0.84 1.37 3.86 -1.83 -2.31 115.15 116.98 3fko h HIS 64 Ca 0.23 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 3fko h HIS 64 Cb 0.30 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 3fko h HIS 64 CO 0.02 0.69 0.46 0.00 0.86 0.00 0.00 177.93 179.96 3fko h ALA 65 N 0.77 1.22 -0.34 2.45 0.00 -0.68 -0.78 119.26 121.90 3fko h ALA 65 Ca 0.07 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3fko h ALA 65 Cb 0.51 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3fko h ALA 65 CO 0.02 0.63 -0.29 -0.22 0.00 0.00 0.00 179.25 179.40 3fko h LYS 66 N 1.18 0.80 0.00 0.00 3.64 -1.14 -2.10 116.57 118.94 3fko h LYS 66 Ca 0.30 -0.40 -0.11 0.00 -1.27 0.00 0.00 60.65 59.16 3fko h LYS 66 Cb 0.03 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3fko h LYS 66 CO -0.05 1.03 -0.55 0.07 -2.27 0.00 0.00 179.45 177.69 3fko h ARG 67 N 0.58 0.00 0.05 1.90 0.11 -1.21 0.34 114.38 116.15 3fko h ARG 67 Ca 0.06 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.14 3fko h ARG 67 Cb 0.86 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.94 3fko h ARG 67 CO 0.07 0.55 -0.03 1.15 0.10 0.00 0.00 179.97 181.82 3fko h THR 68 N 0.00 0.98 -0.24 0.08 2.02 -1.12 0.12 112.91 114.76 3fko h THR 68 Ca -0.01 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.10 3fko h THR 68 Cb 1.07 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 3fko h THR 68 CO 0.07 0.03 0.04 0.22 0.37 0.00 0.00 175.52 176.25 3fko h TYR 69 N -0.11 0.07 -0.22 3.16 3.20 -1.13 -1.93 116.97 120.01 3fko h TYR 69 Ca -0.01 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.93 3fko h TYR 69 Cb 0.10 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.31 3fko h TYR 69 CO -0.06 0.02 -0.15 -0.09 -1.64 0.00 0.00 178.16 176.24 3fko h ARG 70 N 0.13 -0.14 -0.61 1.82 2.43 -0.17 -0.35 114.38 117.49 3fko h ARG 70 Ca 0.11 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3fko h ARG 70 Cb 0.11 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3fko h ARG 70 CO -0.14 -0.09 0.37 1.49 -1.51 0.00 0.00 179.97 180.08 3fko h GLU 71 N -0.14 0.83 -0.38 0.20 4.81 -0.62 -1.19 114.58 118.09 3fko h GLU 71 Ca 0.13 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3fko h GLU 71 Cb 0.33 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3fko h GLU 71 CO -0.31 0.60 0.04 1.25 -0.73 0.00 0.00 179.01 179.87 3fko h LEU 72 N 0.83 0.61 -0.43 1.64 5.85 -1.11 -0.78 115.31 121.93 3fko h LEU 72 Ca 0.22 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.69 3fko h LEU 72 Cb -0.02 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3fko h LEU 72 CO -0.04 0.73 0.22 0.03 -0.34 0.00 0.00 178.44 179.05 3fko h ARG 73 N 0.47 0.43 -0.05 1.25 2.47 -0.90 0.20 114.38 118.25 3fko h ARG 73 Ca 0.11 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 3fko h ARG 73 Cb 0.39 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 3fko h ARG 73 CO 0.01 0.29 0.01 -0.07 0.56 0.00 0.00 179.97 180.77 3fko h LEU 74 N 0.45 0.08 -1.26 3.04 3.38 -1.09 -2.39 115.31 117.51 3fko h LEU 74 Ca 0.18 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3fko h LEU 74 Cb 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3fko h LEU 74 CO -0.12 0.28 0.11 -0.07 0.09 0.00 0.00 178.44 178.74 3fko h LEU 75 N -0.12 0.57 -1.12 1.67 3.38 -1.07 -2.66 115.31 115.95 3fko h LEU 75 Ca 0.02 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3fko h LEU 75 Cb 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3fko h LEU 75 CO 0.00 0.56 -0.41 0.11 0.09 0.00 0.00 178.44 178.79 3fko h LYS 76 N 0.61 0.00 0.05 1.13 1.57 -0.84 -3.19 116.57 115.90 3fko h LYS 76 Ca 0.14 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.68 3fko h LYS 76 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3fko h LYS 76 CO -0.01 0.41 -1.10 1.25 -0.57 0.00 0.00 179.45 179.44 3fko h HIS 77 N 0.00 0.22 -3.48 -1.35 2.76 -1.08 -3.46 115.15 108.76 3fko h HIS 77 Ca -0.00 -0.16 -0.57 0.00 -2.20 0.00 0.00 60.37 57.44 3fko h HIS 77 Cb 0.79 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.68 3fko h HIS 77 CO 0.00 1.12 0.93 -1.64 -1.30 0.00 0.00 177.93 177.04 3fko s MET 78 N -2.70 3.81 -0.51 5.26 -1.94 -1.12 -4.94 119.30 117.16 3fko s MET 78 Ca -0.01 0.83 0.04 0.00 -1.71 0.00 0.00 55.69 54.83 3fko s MET 78 Cb 0.09 -3.88 0.16 0.00 2.01 0.00 0.00 34.83 33.20 3fko s MET 78 CO 0.85 -1.26 0.35 0.15 -0.01 0.00 0.00 175.02 175.10 3fko s LYS 79 N 4.30 1.48 -0.22 2.03 1.02 -1.26 -4.35 119.74 122.74 3fko s LYS 79 Ca 0.50 -2.42 -0.21 0.00 0.02 0.00 0.00 55.97 53.86 3fko s LYS 79 Cb -0.10 -2.31 0.06 0.00 -0.52 0.00 0.00 37.83 34.95 3fko s LYS 79 CO 0.27 -1.28 0.60 -1.58 -0.92 0.00 0.00 175.35 172.44 3fko s HIS 80 N -0.27 -0.66 0.43 3.18 2.46 -1.26 -5.06 115.29 114.12 3fko s HIS 80 Ca 0.25 1.59 0.19 0.00 0.47 0.00 0.00 55.06 57.56 3fko s HIS 80 Cb -0.09 0.23 1.12 0.00 -0.13 0.00 0.00 32.58 33.71 3fko s HIS 80 CO -0.12 -0.32 1.85 0.93 -2.47 0.00 0.00 174.74 174.61 3fko h GLU 81 N 5.13 0.36 -0.57 2.88 5.08 -1.98 -2.51 114.58 122.98 3fko h GLU 81 Ca -0.28 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3fko h GLU 81 Cb 1.17 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3fko h GLU 81 CO 0.13 0.24 0.00 0.09 -1.00 0.00 0.00 179.01 178.47 3fko n ASN 82 N -4.50 4.12 -4.02 1.42 5.03 -1.26 -4.68 115.26 111.36 3fko n ASN 82 Ca 0.20 -2.30 -0.23 0.00 0.87 0.00 0.00 54.58 53.12 3fko n ASN 82 Cb 0.75 -0.48 -0.16 0.00 -1.02 0.00 0.00 39.78 38.87 3fko n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3fko s VAL 83 N -1.56 0.99 0.04 2.41 1.01 -0.95 -0.57 120.40 121.78 3fko s VAL 83 Ca 0.44 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 3fko s VAL 83 Cb 0.27 -0.90 -0.09 0.00 0.00 0.00 0.00 36.38 35.66 3fko s VAL 83 CO 0.23 0.31 1.90 -0.63 0.00 0.00 0.00 175.10 176.92 3fko s ILE 84 N 0.43 2.99 0.00 2.22 -1.09 -0.38 -4.50 121.20 120.87 3fko s ILE 84 Ca -0.09 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 3fko s ILE 84 Cb -0.13 -3.07 -0.00 0.00 -1.58 0.00 0.00 42.46 37.68 3fko s ILE 84 CO 0.02 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 3fko n GLY 85 N 4.43 4.19 3.30 6.18 0.00 -1.26 -4.85 105.19 117.18 3fko n GLY 85 Ca 0.19 -2.20 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 3fko n GLY 85 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fko s LEU 86 N 0.00 3.83 0.15 0.99 2.96 -1.21 -4.51 118.68 120.90 3fko s LEU 86 Ca 0.00 -0.83 -0.01 0.00 -0.22 0.00 0.00 54.13 53.06 3fko s LEU 86 Cb 0.00 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 3fko s LEU 86 CO 0.00 -0.21 1.35 -0.07 -1.32 0.00 0.00 176.35 176.10 3fko h LEU 87 N 8.19 0.42 -7.00 -0.68 3.38 -1.02 -3.43 115.31 115.17 3fko h LEU 87 Ca -0.30 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.31 3fko h LEU 87 Cb 1.11 -0.13 -0.18 0.00 0.09 0.00 0.00 40.66 41.56 3fko h LEU 87 CO 0.60 1.12 0.23 -0.62 0.09 0.00 0.00 178.44 179.86 3fko s ASP 88 N -7.01 -0.61 -0.01 -0.43 3.68 -1.13 -4.51 116.67 106.64 3fko s ASP 88 Ca -0.05 0.51 -0.01 0.00 2.13 0.00 0.00 52.55 55.14 3fko s ASP 88 Cb 0.09 0.53 0.01 0.00 -1.45 0.00 0.00 42.92 42.11 3fko s ASP 88 CO 0.85 -0.67 0.03 0.54 0.13 0.00 0.00 175.17 176.05 3fko s VAL 89 N -1.82 -0.02 0.07 1.11 0.11 -1.26 -1.10 120.40 117.49 3fko s VAL 89 Ca -0.07 0.06 -0.13 0.00 -2.93 0.00 0.00 61.98 58.91 3fko s VAL 89 Cb -0.00 -0.06 0.02 0.00 -1.53 0.00 0.00 36.38 34.80 3fko s VAL 89 CO 0.04 0.02 0.29 0.72 -3.33 0.00 0.00 175.10 172.84 3fko s PHE 90 N 0.31 -0.06 0.00 1.54 -0.12 -0.93 -4.97 117.98 113.74 3fko s PHE 90 Ca -0.02 -0.20 0.02 0.00 -0.05 0.00 0.00 56.93 56.68 3fko s PHE 90 Cb -0.04 0.09 -0.01 0.00 -0.63 0.00 0.00 43.02 42.44 3fko s PHE 90 CO -0.01 -0.56 -0.06 -0.08 -0.05 0.00 0.00 175.22 174.46 3fko s THR 91 N -3.19 0.48 -0.45 -4.49 -1.32 -1.26 -1.82 115.64 103.59 3fko s THR 91 Ca -0.01 -0.33 0.22 0.00 -1.21 0.00 0.00 61.69 60.37 3fko s THR 91 Cb 0.01 -0.42 0.23 0.00 -1.51 0.00 0.00 72.50 70.82 3fko s THR 91 CO -0.07 0.08 1.67 -0.81 -2.21 0.00 0.00 174.62 173.28 3fko n PRO 92 N 2.80 0.17 -2.12 7.08 -0.04 -1.26 -4.82 135.00 136.80 3fko n PRO 92 Ca -0.14 0.47 -0.40 0.00 -0.04 0.00 0.00 63.50 63.39 3fko n PRO 92 Cb 0.58 -1.87 -0.02 0.00 -0.04 0.00 0.00 33.50 32.15 3fko n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fko s ALA 93 N -3.35 3.43 -1.06 0.55 0.00 -1.26 -4.94 121.76 115.12 3fko s ALA 93 Ca 0.03 1.23 0.23 0.00 0.00 0.00 0.00 51.96 53.44 3fko s ALA 93 Cb 0.08 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.78 3fko s ALA 93 CO 0.33 -0.66 1.09 0.54 0.00 0.00 0.00 175.76 177.07 3fko n ARG 94 N 0.64 0.07 -3.93 0.00 1.74 -1.26 -4.96 116.66 108.96 3fko n ARG 94 Ca 0.01 -0.05 -0.09 0.00 -0.77 0.00 0.00 57.85 56.94 3fko n ARG 94 Cb 0.42 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 3fko n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3fko s SER 95 N -2.97 -0.07 0.42 0.55 1.04 -1.26 -5.04 113.70 106.37 3fko s SER 95 Ca 0.10 -0.81 0.09 0.00 0.48 0.00 0.00 55.95 55.81 3fko s SER 95 Cb 0.17 0.51 0.90 0.00 0.10 0.00 0.00 66.02 67.69 3fko s SER 95 CO 0.79 -1.00 2.02 0.25 0.98 0.00 0.00 173.24 176.28 3fko h LEU 96 N 2.38 0.31 -0.19 2.42 5.85 -1.95 -2.21 115.31 121.92 3fko h LEU 96 Ca -0.29 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3fko h LEU 96 Cb 1.24 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 3fko h LEU 96 CO 0.42 0.31 0.12 -0.33 -0.34 0.00 0.00 178.44 178.62 3fko h GLU 97 N 0.35 0.24 -0.04 1.25 3.07 -2.01 -2.75 114.58 114.70 3fko h GLU 97 Ca 0.09 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 3fko h GLU 97 Cb 0.10 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3fko h GLU 97 CO -0.01 0.16 0.00 -0.85 -1.40 0.00 0.00 179.01 176.91 3fko n GLU 98 N -4.96 1.77 -1.72 2.33 0.28 -1.18 -4.92 120.64 112.23 3fko n GLU 98 Ca -0.03 -1.12 -0.42 0.00 -0.16 0.00 0.00 57.16 55.42 3fko n GLU 98 Cb 0.03 -1.47 -0.03 0.00 1.43 0.00 0.00 31.44 31.40 3fko n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3fko s PHE 99 N -1.97 1.37 0.00 -1.84 5.99 -0.84 -4.77 117.98 115.92 3fko s PHE 99 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 56.93 57.22 3fko s PHE 99 Cb 0.21 -4.12 0.00 0.00 0.00 0.00 0.00 43.02 39.11 3fko s PHE 99 CO 0.32 -4.84 0.07 -1.71 -0.00 0.00 0.00 175.22 169.06 3fko n ASN 100 N 8.68 0.00 -3.94 6.13 4.05 -1.26 -5.02 115.26 123.90 3fko n ASN 100 Ca 0.22 -1.00 -0.15 0.00 0.45 0.00 0.00 54.58 54.10 3fko n ASN 100 Cb 0.43 0.00 -0.14 0.00 1.23 0.00 0.00 39.78 41.29 3fko n ASN 100 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 3fko s ASP 101 N 0.00 0.45 -0.08 1.20 -0.00 -1.26 -4.54 116.67 112.44 3fko s ASP 101 Ca 0.00 -0.08 0.02 0.00 -0.00 0.00 0.00 52.55 52.49 3fko s ASP 101 Cb 0.00 -0.05 0.01 0.00 -0.00 0.00 0.00 42.92 42.89 3fko s ASP 101 CO 0.00 0.04 -0.13 -0.69 -0.00 0.00 0.00 175.17 174.40 3fko s VAL 102 N -0.11 1.24 -0.12 -1.27 1.01 -1.26 -4.57 120.40 115.32 3fko s VAL 102 Ca 0.01 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3fko s VAL 102 Cb -0.02 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 3fko s VAL 102 CO -0.00 0.38 -0.16 -0.31 0.00 0.00 0.00 175.10 175.01 3fko s TYR 103 N 0.87 2.73 -0.07 5.22 1.51 -0.76 -0.71 117.35 126.16 3fko s TYR 103 Ca -0.10 -0.71 0.03 0.00 -1.01 0.00 0.00 57.07 55.28 3fko s TYR 103 Cb -0.15 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 39.88 3fko s TYR 103 CO 0.01 -0.23 -0.15 -0.51 -1.11 0.00 0.00 175.55 173.56 3fko s LEU 104 N 0.26 2.69 -0.09 -1.29 1.43 0.39 -2.20 118.68 119.87 3fko s LEU 104 Ca -0.11 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 3fko s LEU 104 Cb -0.16 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.51 3fko s LEU 104 CO 0.06 0.30 -0.18 -0.69 0.23 0.00 0.00 176.35 176.07 3fko s VAL 105 N -0.45 1.65 0.34 -1.59 1.01 -0.26 -0.40 120.40 120.69 3fko s VAL 105 Ca 0.05 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.32 3fko s VAL 105 Cb -0.12 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3fko s VAL 105 CO 0.02 0.47 0.34 1.07 0.00 0.00 0.00 175.10 177.00 3fko n THR 106 N 3.80 0.00 -1.99 3.92 5.66 -0.62 -0.30 114.28 124.75 3fko n THR 106 Ca -0.20 -2.24 -0.39 0.00 -3.05 0.00 0.00 64.05 58.16 3fko n THR 106 Cb 0.52 1.18 0.00 0.00 -1.55 0.00 0.00 70.33 70.48 3fko n THR 106 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3fko s HIS 107 N -3.22 2.70 -0.13 1.09 3.76 -1.26 -0.50 115.29 117.72 3fko s HIS 107 Ca 0.37 1.38 -0.24 0.00 -0.15 0.00 0.00 55.06 56.42 3fko s HIS 107 Cb 0.01 -3.72 -0.03 0.00 1.11 0.00 0.00 32.58 29.96 3fko s HIS 107 CO 0.26 -2.31 0.74 -1.17 -0.85 0.00 0.00 174.74 171.41 3fko s LEU 108 N -2.63 4.23 0.37 0.89 2.96 -0.50 -4.15 118.68 119.86 3fko s LEU 108 Ca 0.59 1.12 0.07 0.00 -0.22 0.00 0.00 54.13 55.70 3fko s LEU 108 Cb -0.39 -3.11 -0.01 0.00 0.50 0.00 0.00 46.19 43.18 3fko s LEU 108 CO 0.50 -0.26 0.47 -0.04 -1.32 0.00 0.00 176.35 175.69 3fko s MET 109 N 1.56 2.89 -0.05 1.98 -1.94 -1.26 -4.88 119.30 117.59 3fko s MET 109 Ca 0.36 -1.19 -0.21 0.00 -1.71 0.00 0.00 55.69 52.94 3fko s MET 109 Cb -0.17 -2.70 -0.15 0.00 2.01 0.00 0.00 34.83 33.82 3fko s MET 109 CO 0.14 -0.08 0.86 0.78 -0.01 0.00 0.00 175.02 176.71 3fko h GLY 110 N 0.87 -0.24 -1.53 -0.03 0.00 -1.52 -3.48 103.07 97.13 3fko h GLY 110 Ca -0.43 0.09 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 3fko h GLY 110 CO 0.51 -0.09 0.05 0.00 0.00 0.00 0.00 176.54 177.01 3fko s ALA 111 N -3.71 -0.15 0.56 3.60 0.00 -0.79 -5.01 121.76 116.25 3fko s ALA 111 Ca -0.12 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 50.83 3fko s ALA 111 Cb 0.00 0.92 0.04 0.00 0.00 0.00 0.00 23.12 24.08 3fko s ALA 111 CO 0.46 -0.90 0.79 0.16 0.00 0.00 0.00 175.76 176.27 3fko s ASP 112 N -3.12 5.20 0.38 0.00 1.47 -1.26 -0.52 116.67 118.82 3fko s ASP 112 Ca 0.22 -0.09 0.12 0.00 1.18 0.00 0.00 52.55 53.98 3fko s ASP 112 Cb -0.03 -0.75 0.76 0.00 -0.34 0.00 0.00 42.92 42.57 3fko s ASP 112 CO 0.14 -1.20 1.86 0.25 0.68 0.00 0.00 175.17 176.90 3fko h LEU 113 N 0.04 0.03 0.29 2.11 5.85 -0.43 -3.23 115.31 119.97 3fko h LEU 113 Ca -0.41 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 3fko h LEU 113 Cb 1.29 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3fko h LEU 113 CO 0.50 0.35 -0.28 0.78 -0.34 0.00 0.00 178.44 179.45 3fko h ASN 114 N 0.03 -0.77 -0.84 1.25 4.21 -1.85 -2.84 115.58 114.77 3fko h ASN 114 Ca 0.00 0.06 -0.73 0.00 1.21 0.00 0.00 56.30 56.84 3fko h ASN 114 Cb 0.58 0.25 -0.10 0.00 -1.12 0.00 0.00 38.32 37.93 3fko h ASN 114 CO 0.04 -0.38 2.61 -0.46 -1.29 0.00 0.00 177.43 177.95 3fko n ASN 115 N -4.07 6.00 0.00 5.81 0.23 -1.22 -2.88 115.26 119.13 3fko n ASN 115 Ca -0.07 -2.99 0.00 0.00 -0.53 0.00 0.00 54.58 50.99 3fko n ASN 115 Cb 0.26 -1.50 0.00 0.00 -2.08 0.00 0.00 39.78 36.46 3fko n ASN 115 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fko n ILE 116 N 3.37 0.00 -4.27 1.53 3.06 -1.22 -4.65 119.36 117.19 3fko n ILE 116 Ca 0.53 0.00 -0.34 0.00 -2.50 0.00 0.00 62.75 60.44 3fko n ILE 116 Cb 0.32 0.00 -0.13 0.00 0.54 0.00 0.00 39.64 40.37 3fko n ILE 116 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3fko s VAL 117 N -0.81 3.47 -0.06 9.51 1.01 -1.08 -5.08 120.40 127.37 3fko s VAL 117 Ca 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 3fko s VAL 117 Cb 0.00 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3fko s VAL 117 CO 0.00 0.47 -0.09 1.67 0.00 0.00 0.00 175.10 177.15 3fko n GLN 120 N 4.11 0.14 -3.38 2.72 7.27 -1.26 -4.88 117.38 122.11 3fko n GLN 120 Ca -0.18 0.06 -0.38 0.00 0.07 0.00 0.00 57.00 56.57 3fko n GLN 120 Cb 0.52 -0.74 -0.07 0.00 2.41 0.00 0.00 30.24 32.35 3fko n GLN 120 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 3fko s LYS 121 N -2.14 4.19 0.60 3.69 -2.85 -1.26 -3.90 119.74 118.08 3fko s LYS 121 Ca -0.09 0.23 -0.03 0.00 -1.00 0.00 0.00 55.97 55.08 3fko s LYS 121 Cb 0.03 -3.52 0.04 0.00 -2.06 0.00 0.00 37.83 32.32 3fko s LYS 121 CO 0.12 -0.01 0.87 -0.51 0.10 0.00 0.00 175.35 175.91 3fko s LEU 122 N 1.23 3.14 0.64 2.77 1.43 0.15 -4.94 118.68 123.09 3fko s LEU 122 Ca 0.20 0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 53.45 3fko s LEU 122 Cb -0.15 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 3fko s LEU 122 CO 0.08 -1.26 1.06 0.42 0.23 0.00 0.00 176.35 176.89 3fko s THR 123 N -2.95 3.79 0.38 5.49 -4.23 -1.26 -4.80 115.64 112.05 3fko s THR 123 Ca 0.57 0.76 0.06 0.00 -1.18 0.00 0.00 61.69 61.90 3fko s THR 123 Cb -0.10 -3.33 0.23 0.00 1.34 0.00 0.00 72.50 70.63 3fko s THR 123 CO 0.42 -0.59 2.00 -0.78 -0.54 0.00 0.00 174.62 175.13 3fko h ASP 124 N 0.02 0.50 -0.09 3.99 -0.00 -1.98 -1.82 116.42 117.04 3fko h ASP 124 Ca -0.46 -0.04 -0.10 0.00 -0.00 0.00 0.00 57.03 56.44 3fko h ASP 124 Cb 1.22 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 40.41 3fko h ASP 124 CO 0.57 0.42 -0.25 0.44 -0.00 0.00 0.00 179.24 180.42 3fko h ASP 125 N 0.56 0.54 -0.20 2.28 3.45 -1.99 -0.76 116.42 120.29 3fko h ASP 125 Ca 0.14 -0.19 -0.20 0.00 0.43 0.00 0.00 57.03 57.22 3fko h ASP 125 Cb 0.05 -0.15 0.01 0.00 -0.56 0.00 0.00 39.33 38.68 3fko h ASP 125 CO -0.02 0.78 -0.64 0.45 -1.57 0.00 0.00 179.24 178.24 3fko h HIS 126 N 0.47 1.03 -0.09 4.55 3.86 -1.82 -2.75 115.15 120.41 3fko h HIS 126 Ca 0.07 -0.42 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 3fko h HIS 126 Cb 0.69 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.98 3fko h HIS 126 CO 0.02 1.24 0.06 0.28 0.86 0.00 0.00 177.93 180.39 3fko h VAL 127 N 0.52 1.02 -0.45 2.45 2.07 -1.20 -0.85 116.25 119.82 3fko h VAL 127 Ca -0.02 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.54 3fko h VAL 127 Cb 1.26 0.90 -0.10 0.00 -1.52 0.00 0.00 31.29 31.83 3fko h VAL 127 CO 0.14 0.02 -0.33 1.56 0.02 0.00 0.00 177.57 178.98 3fko h GLN 128 N 0.12 -0.22 -0.29 1.57 4.20 -1.18 0.36 115.11 119.67 3fko h GLN 128 Ca 0.03 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3fko h GLN 128 Cb -0.01 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3fko h GLN 128 CO -0.01 -0.15 0.05 0.35 -0.67 0.00 0.00 178.83 178.41 3fko h PHE 129 N -0.23 0.49 -0.14 2.96 3.57 -1.28 -0.70 116.94 121.61 3fko h PHE 129 Ca 0.19 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 3fko h PHE 129 Cb 0.54 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3fko h PHE 129 CO -0.57 0.56 0.03 -0.07 -2.23 0.00 0.00 178.31 176.02 3fko h LEU 130 N 0.29 0.23 -0.72 0.59 3.38 -0.90 -2.51 115.31 115.66 3fko h LEU 130 Ca 0.09 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 3fko h LEU 130 Cb 0.32 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3fko h LEU 130 CO 0.00 0.42 -0.03 0.40 0.09 0.00 0.00 178.44 179.32 3fko h ILE 131 N 0.02 1.26 -0.56 1.22 1.08 -0.94 -2.44 117.51 117.15 3fko h ILE 131 Ca 0.04 -1.14 0.08 0.00 -0.39 0.00 0.00 64.86 63.46 3fko h ILE 131 Cb 0.29 0.88 -0.07 0.00 -3.07 0.00 0.00 36.82 34.85 3fko h ILE 131 CO 0.00 0.41 0.20 0.22 -0.69 0.00 0.00 178.15 178.29 3fko h TYR 132 N 0.87 0.34 -0.54 1.37 3.20 -1.06 -1.02 116.97 120.13 3fko h TYR 132 Ca 0.15 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 3fko h TYR 132 Cb 0.56 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 3fko h TYR 132 CO 0.03 0.09 0.07 1.96 -1.64 0.00 0.00 178.16 178.68 3fko h GLN 133 N 0.37 0.90 -0.30 1.82 4.20 -1.23 0.10 115.11 120.98 3fko h GLN 133 Ca 0.28 -0.25 0.02 0.00 0.06 0.00 0.00 58.65 58.76 3fko h GLN 133 Cb 0.33 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3fko h GLN 133 CO -0.29 0.88 0.13 0.82 -0.67 0.00 0.00 178.83 179.71 3fko h ILE 134 N 0.78 0.97 -0.16 2.54 2.04 -1.12 -1.23 117.51 121.33 3fko h ILE 134 Ca 0.16 -0.10 -0.12 0.00 1.00 0.00 0.00 64.86 65.81 3fko h ILE 134 Cb 0.43 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3fko h ILE 134 CO 0.01 0.05 -0.40 -0.07 0.00 0.00 0.00 178.15 177.74 3fko h LEU 135 N 0.29 0.38 -0.08 1.44 3.38 -1.00 0.38 115.31 120.10 3fko h LEU 135 Ca 0.13 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3fko h LEU 135 Cb 0.06 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3fko h LEU 135 CO -0.10 0.74 0.04 -0.09 0.09 0.00 0.00 178.44 179.12 3fko h ARG 136 N 0.30 0.12 -0.76 1.13 2.43 -0.58 0.13 114.38 117.16 3fko h ARG 136 Ca 0.03 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 3fko h ARG 136 Cb 0.84 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.34 3fko h ARG 136 CO 0.07 0.21 0.25 0.78 -1.51 0.00 0.00 179.97 179.77 3fko h GLY 137 N -0.00 1.25 1.07 2.80 0.00 -1.14 -2.80 103.07 104.25 3fko h GLY 137 Ca 0.03 -0.73 -0.09 0.00 0.00 0.00 0.00 47.33 46.54 3fko h GLY 137 CO -0.00 0.68 0.01 1.41 0.00 0.00 0.00 176.54 178.64 3fko h LEU 138 N 1.12 1.03 -0.53 3.11 3.38 -0.78 -0.36 115.31 122.28 3fko h LEU 138 Ca 0.25 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.99 3fko h LEU 138 Cb 0.29 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3fko h LEU 138 CO -0.01 1.08 0.17 0.50 0.09 0.00 0.00 178.44 180.27 3fko h LYS 139 N 0.95 0.33 0.37 1.13 3.64 -0.67 0.20 116.57 122.52 3fko h LYS 139 Ca 0.17 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3fko h LYS 139 Cb 0.55 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3fko h LYS 139 CO 0.03 0.22 -0.18 -0.92 -2.27 0.00 0.00 179.45 176.33 3fko h TYR 140 N 0.34 -0.47 -0.20 1.91 3.20 -1.24 -1.36 116.97 119.15 3fko h TYR 140 Ca 0.26 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.16 3fko h TYR 140 Cb 0.31 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 3fko h TYR 140 CO -0.18 -0.29 -0.02 0.82 -1.64 0.00 0.00 178.16 176.86 3fko h ILE 141 N -0.51 0.83 -0.15 1.81 2.04 -0.78 -2.78 117.51 117.97 3fko h ILE 141 Ca -0.05 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 3fko h ILE 141 Cb 0.39 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3fko h ILE 141 CO 0.08 0.01 -0.13 0.45 0.00 0.00 0.00 178.15 178.56 3fko h HIS 142 N 0.04 0.25 0.00 1.37 3.86 -0.57 -2.13 115.15 117.97 3fko h HIS 142 Ca 0.10 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3fko h HIS 142 Cb 0.13 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 3fko h HIS 142 CO -0.19 0.38 -0.01 0.66 0.86 0.00 0.00 177.93 179.63 3fko h SER 143 N 0.23 0.00 -0.42 2.45 4.64 -0.96 -0.29 113.55 119.21 3fko h SER 143 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3fko h SER 143 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3fko h SER 143 CO 0.02 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 3fko n ALA 144 N -2.09 2.44 -3.28 5.18 0.00 -0.82 -4.73 120.51 117.20 3fko n ALA 144 Ca -0.01 -0.79 -0.24 0.00 0.00 0.00 0.00 53.44 52.40 3fko n ALA 144 Cb 0.19 -0.97 0.04 0.00 0.00 0.00 0.00 19.45 18.70 3fko n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fko n ASP 145 N 0.84 -5.77 -4.70 0.00 8.00 -0.12 -3.96 116.55 110.85 3fko n ASP 145 Ca 0.16 -0.40 -0.35 0.00 0.71 0.00 0.00 54.79 54.91 3fko n ASP 145 Cb 0.40 -4.63 -0.09 0.00 -0.02 0.00 0.00 41.12 36.78 3fko n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fko s ILE 146 N -3.19 4.46 -0.13 0.53 1.01 -1.07 -5.03 121.20 117.77 3fko s ILE 146 Ca 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.86 3fko s ILE 146 Cb -0.19 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 3fko s ILE 146 CO 0.51 0.60 -0.06 -0.63 0.00 0.00 0.00 174.94 175.36 3fko s ILE 147 N -0.80 3.70 0.01 2.92 1.01 -1.26 -3.80 121.20 122.97 3fko s ILE 147 Ca 0.12 -0.44 -0.25 0.00 0.00 0.00 0.00 60.65 60.08 3fko s ILE 147 Cb -0.12 -2.58 -0.17 0.00 0.01 0.00 0.00 42.46 39.60 3fko s ILE 147 CO 0.02 0.53 1.26 -0.74 0.00 0.00 0.00 174.94 176.01 3fko h HIS 148 N 6.33 -0.31 0.00 3.97 -0.00 -1.93 -2.78 115.15 120.44 3fko h HIS 148 Ca -0.34 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.02 3fko h HIS 148 Cb 1.19 0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.70 3fko h HIS 148 CO 0.53 0.02 0.00 0.54 -0.00 0.00 0.00 177.93 179.03 3fko n ARG 149 N -5.09 0.00 -2.80 5.26 1.74 -1.26 -2.47 116.66 112.04 3fko n ARG 149 Ca -0.09 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.97 3fko n ARG 149 Cb 0.25 -0.80 0.06 0.00 -1.02 0.00 0.00 32.46 30.95 3fko n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3fko n ASP 150 N 0.06 1.11 -4.70 0.55 4.64 -1.26 -5.01 116.55 111.94 3fko n ASP 150 Ca 0.00 -2.13 -0.42 0.00 -1.38 0.00 0.00 54.79 50.86 3fko n ASP 150 Cb 0.00 -0.31 -0.03 0.00 -1.04 0.00 0.00 41.12 39.74 3fko n ASP 150 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3fko s LEU 151 N -3.76 4.34 0.23 -2.67 2.96 -1.26 -4.89 118.68 113.63 3fko s LEU 151 Ca 0.25 2.17 -0.22 0.00 -0.22 0.00 0.00 54.13 56.11 3fko s LEU 151 Cb 0.35 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.51 3fko s LEU 151 CO -0.04 -0.66 0.67 -1.59 -1.32 0.00 0.00 176.35 173.40 3fko s LYS 152 N 1.78 1.58 0.41 1.98 -2.85 -1.26 -4.83 119.74 116.55 3fko s LYS 152 Ca 0.63 -0.78 0.14 0.00 -1.00 0.00 0.00 55.97 54.96 3fko s LYS 152 Cb -0.33 0.60 0.99 0.00 -2.06 0.00 0.00 37.83 37.03 3fko s LYS 152 CO 0.28 -0.71 1.90 -1.35 0.10 0.00 0.00 175.35 175.57 3fko h PRO 153 N 2.00 0.48 0.00 1.78 0.11 -1.94 -2.03 132.00 132.40 3fko h PRO 153 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3fko h PRO 153 Cb 1.27 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3fko h PRO 153 CO 0.29 0.32 0.00 0.66 -0.21 0.00 0.00 178.00 179.06 3fko h SER 154 N 0.49 0.00 -0.35 -2.05 4.64 -1.95 -2.26 113.55 112.08 3fko h SER 154 Ca 0.40 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.54 3fko h SER 154 Cb 0.84 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.83 3fko h SER 154 CO -0.15 0.00 -0.08 -0.46 -0.87 0.00 0.00 176.83 175.27 3fko n ASN 155 N -3.02 2.48 -4.20 4.97 2.04 -0.77 -4.84 115.26 111.93 3fko n ASN 155 Ca -0.00 -3.77 -0.34 0.00 -0.44 0.00 0.00 54.58 50.03 3fko n ASN 155 Cb 0.25 -0.64 -0.15 0.00 -2.53 0.00 0.00 39.78 36.72 3fko n ASN 155 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 3fko s LEU 156 N -3.24 3.01 -0.08 -4.53 1.43 -0.97 -0.92 118.68 113.38 3fko s LEU 156 Ca 0.45 -0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 3fko s LEU 156 Cb 0.41 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 3fko s LEU 156 CO -0.00 -0.10 -0.03 0.00 0.23 0.00 0.00 176.35 176.45 3fko s ALA 157 N 1.33 3.16 -0.01 4.21 0.00 -0.04 -0.86 121.76 129.54 3fko s ALA 157 Ca 0.01 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.17 3fko s ALA 157 Cb -0.16 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 3fko s ALA 157 CO -0.06 0.58 -0.15 0.08 0.00 0.00 0.00 175.76 176.22 3fko s VAL 158 N -0.86 1.18 0.49 0.00 1.01 0.32 -0.68 120.40 121.87 3fko s VAL 158 Ca 0.13 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3fko s VAL 158 Cb -0.11 -0.99 0.09 0.00 0.00 0.00 0.00 36.38 35.37 3fko s VAL 158 CO 0.02 0.34 0.67 -0.46 0.00 0.00 0.00 175.10 175.67 3fko n ASN 159 N 2.76 1.06 0.24 3.32 0.23 -0.42 -1.30 115.26 121.16 3fko n ASN 159 Ca -0.15 -1.86 0.09 0.00 -0.53 0.00 0.00 54.58 52.14 3fko n ASN 159 Cb 0.55 -0.42 0.62 0.00 -2.08 0.00 0.00 39.78 38.44 3fko n ASN 159 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3fko h GLU 160 N 0.00 0.00 -0.10 -3.83 3.07 -1.98 -1.53 114.58 110.21 3fko h GLU 160 Ca -0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 3fko h GLU 160 Cb 0.86 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 3fko h GLU 160 CO 0.25 0.17 0.00 -0.25 -1.40 0.00 0.00 179.01 177.78 3fko n ASP 161 N -3.87 0.63 -0.23 1.42 10.43 -1.26 -4.88 116.55 118.79 3fko n ASP 161 Ca -0.02 -1.81 -0.03 0.00 2.57 0.00 0.00 54.79 55.50 3fko n ASP 161 Cb 0.26 -0.06 -0.01 0.00 1.84 0.00 0.00 41.12 43.15 3fko n ASP 161 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3fko s GLU 163 N -1.73 4.36 -0.01 0.00 2.02 -1.26 -4.80 118.70 117.28 3fko s GLU 163 Ca 0.00 2.15 0.07 0.00 0.02 0.00 0.00 54.97 57.21 3fko s GLU 163 Cb 0.00 -3.14 -0.02 0.00 0.10 0.00 0.00 34.13 31.07 3fko s GLU 163 CO 0.00 -0.26 -0.23 -1.17 0.02 0.00 0.00 175.26 173.63 3fko s LEU 164 N -0.69 2.06 0.02 1.80 0.20 -1.26 -1.30 118.68 119.50 3fko s LEU 164 Ca 0.55 -0.43 0.05 0.00 0.69 0.00 0.00 54.13 54.99 3fko s LEU 164 Cb -0.39 -1.17 -0.02 0.00 -0.43 0.00 0.00 46.19 44.19 3fko s LEU 164 CO 0.44 0.27 -0.15 -0.54 -0.29 0.00 0.00 176.35 176.08 3fko s LYS 165 N -0.61 1.08 -0.10 1.98 1.02 0.14 -4.20 119.74 119.06 3fko s LYS 165 Ca 0.09 -0.67 -0.20 0.00 0.02 0.00 0.00 55.97 55.21 3fko s LYS 165 Cb -0.09 -1.08 -0.04 0.00 -0.52 0.00 0.00 37.83 36.10 3fko s LYS 165 CO -0.01 0.28 0.55 0.42 -0.92 0.00 0.00 175.35 175.68 3fko s ILE 166 N -0.61 5.13 0.22 2.17 1.01 0.26 -0.86 121.20 128.52 3fko s ILE 166 Ca 0.04 1.12 0.08 0.00 0.00 0.00 0.00 60.65 61.89 3fko s ILE 166 Cb -0.07 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 3fko s ILE 166 CO 0.00 0.31 0.01 -0.76 0.00 0.00 0.00 174.94 174.50 3fko s LEU 167 N 0.64 3.29 -0.99 2.97 1.02 -0.10 -1.25 118.68 124.26 3fko s LEU 167 Ca 0.30 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 53.96 3fko s LEU 167 Cb -0.16 -1.88 0.00 0.00 0.02 0.00 0.00 46.19 44.17 3fko s LEU 167 CO 0.13 0.04 0.00 0.47 0.02 0.00 0.00 176.35 177.01 3fko n ASP 168 N -0.52 -3.74 -4.77 2.29 10.43 -1.26 -4.83 116.55 114.14 3fko n ASP 168 Ca -0.08 0.04 -0.38 0.00 2.57 0.00 0.00 54.79 56.94 3fko n ASP 168 Cb 0.57 -2.85 -0.03 0.00 1.84 0.00 0.00 41.12 40.65 3fko n ASP 168 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 3fko s PHE 169 N -2.53 3.19 0.00 1.24 -0.12 -1.26 -3.85 117.98 114.65 3fko s PHE 169 Ca 0.00 1.60 0.00 0.00 -0.05 0.00 0.00 56.93 58.48 3fko s PHE 169 Cb 0.00 -3.28 0.00 0.00 -0.63 0.00 0.00 43.02 39.11 3fko s PHE 169 CO 0.00 -0.98 0.00 0.41 -0.05 0.00 0.00 175.22 174.60 3fko n GLY 170 N 0.58 0.25 3.12 1.99 0.00 -1.03 -4.97 105.19 105.14 3fko n GLY 170 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3fko n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fko n LEU 171 N 0.00 0.00 -4.74 0.99 4.77 -1.25 -5.03 117.00 111.74 3fko n LEU 171 Ca 0.00 -2.76 -0.24 0.00 -0.03 0.00 0.00 56.01 52.98 3fko n LEU 171 Cb 0.25 0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 3fko n LEU 171 CO 0.00 -0.40 -0.25 0.42 -1.33 0.00 0.00 177.39 175.83 3fko s THR 175 N -2.63 4.09 0.25 -5.08 -4.23 -1.26 -4.92 115.64 101.86 3fko s THR 175 Ca 0.03 -1.42 -0.04 0.00 -1.18 0.00 0.00 61.69 59.08 3fko s THR 175 Cb 0.00 -3.14 0.13 0.00 1.34 0.00 0.00 72.50 70.83 3fko s THR 175 CO 0.02 -0.23 1.77 0.44 -0.54 0.00 0.00 174.62 176.07 3fko h ASP 176 N 2.11 0.87 -0.73 3.99 3.45 -2.04 -3.20 116.42 120.86 3fko h ASP 176 Ca -0.47 -0.18 -0.06 0.00 0.43 0.00 0.00 57.03 56.74 3fko h ASP 176 Cb 1.22 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 39.73 3fko h ASP 176 CO 0.61 0.87 0.22 -0.78 -1.57 0.00 0.00 179.24 178.59 3fko h ASP 177 N 0.87 1.07 0.46 6.45 3.58 -2.08 -2.54 116.42 124.23 3fko h ASP 177 Ca 0.18 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.42 3fko h ASP 177 Cb 0.38 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.15 3fko h ASP 177 CO 0.01 1.00 -0.01 -1.84 -2.88 0.00 0.00 179.24 175.51 3fko n GLU 178 N -4.27 0.55 0.00 0.28 0.28 -1.21 -2.37 120.64 113.89 3fko n GLU 178 Ca 0.06 -0.03 0.12 0.00 -0.16 0.00 0.00 57.16 57.15 3fko n GLU 178 Cb 0.23 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 31.75 3fko n GLU 178 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3fko n MET 179 N -1.20 2.14 -3.42 3.44 2.81 -0.98 -4.67 117.12 115.23 3fko n MET 179 Ca 0.16 -1.71 -0.38 0.00 -1.81 0.00 0.00 57.70 53.95 3fko n MET 179 Cb 0.23 -1.46 -0.06 0.00 -0.71 0.00 0.00 33.22 31.21 3fko n MET 179 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3fko s THR 180 N -2.04 5.05 0.00 2.03 2.01 -1.00 -4.80 115.64 116.89 3fko s THR 180 Ca 0.29 0.90 0.00 0.00 0.31 0.00 0.00 61.69 63.19 3fko s THR 180 Cb 0.20 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.95 3fko s THR 180 CO 0.33 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 3fko n GLY 181 N 2.29 -1.01 3.40 4.40 0.00 -1.25 -4.57 105.19 108.44 3fko n GLY 181 Ca -0.12 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 3fko n GLY 181 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3fko n TYR 182 N 0.00 4.47 -4.29 1.61 4.19 -1.11 -3.70 117.16 118.33 3fko n TYR 182 Ca 0.00 -2.94 -0.21 0.00 3.31 0.00 0.00 57.90 58.06 3fko n TYR 182 Cb 0.00 -2.53 -0.16 0.00 0.49 0.00 0.00 39.34 37.14 3fko n TYR 182 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 3fko s VAL 183 N 3.49 0.70 0.60 2.97 -7.23 -1.26 -5.02 120.40 114.64 3fko s VAL 183 Ca 0.51 -0.24 0.42 0.00 -1.81 0.00 0.00 61.98 60.86 3fko s VAL 183 Cb 0.05 -0.67 0.43 0.00 0.56 0.00 0.00 36.38 36.75 3fko s VAL 183 CO 0.04 0.25 2.32 0.00 -0.31 0.00 0.00 175.10 177.40 3fko h ALA 184 N 6.95 1.04 0.00 1.32 0.00 -1.92 -2.43 119.26 124.22 3fko h ALA 184 Ca -0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3fko h ALA 184 Cb 1.16 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3fko h ALA 184 CO 0.48 0.00 -0.03 1.79 0.00 0.00 0.00 179.25 181.49 3fko h THR 185 N 0.00 0.32 0.00 0.00 1.35 -1.96 -3.11 112.91 109.52 3fko h THR 185 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 3fko h THR 185 Cb 0.06 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 3fko h THR 185 CO 0.00 0.03 -1.12 -1.14 -0.25 0.00 0.00 175.52 173.04 3fko n ARG 186 N -3.49 1.45 0.32 4.72 0.63 -0.92 -4.70 116.66 114.67 3fko n ARG 186 Ca -0.02 -0.06 0.21 0.00 -0.92 0.00 0.00 57.85 57.05 3fko n ARG 186 Cb 0.13 -1.14 1.03 0.00 0.45 0.00 0.00 32.46 32.94 3fko n ARG 186 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 3fko h TRP 187 N 0.00 0.00 -0.34 -0.14 6.55 -1.53 -2.43 115.95 118.06 3fko h TRP 187 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3fko h TRP 187 Cb 0.37 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.67 3fko h TRP 187 CO 0.00 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 178.05 3fko n TYR 188 N -3.10 0.44 -2.91 0.49 4.02 -1.26 -4.57 117.16 110.28 3fko n TYR 188 Ca -0.02 -0.34 -0.40 0.00 -0.01 0.00 0.00 57.90 57.13 3fko n TYR 188 Cb 0.15 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.41 3fko n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3fko s ARG 189 N -1.09 4.58 0.42 -0.72 1.81 -0.92 -3.78 118.95 119.25 3fko s ARG 189 Ca 0.28 1.20 -0.26 0.00 -1.72 0.00 0.00 55.73 55.23 3fko s ARG 189 Cb 0.16 -3.35 -0.08 0.00 -0.45 0.00 0.00 34.95 31.23 3fko s ARG 189 CO 0.21 0.32 1.33 0.00 -0.68 0.00 0.00 175.30 176.48 3fko s ALA 190 N -0.26 3.23 0.36 2.13 0.00 -1.26 -4.82 121.76 121.14 3fko s ALA 190 Ca 0.40 1.28 0.06 0.00 0.00 0.00 0.00 51.96 53.70 3fko s ALA 190 Cb -0.22 -3.51 0.75 0.00 0.00 0.00 0.00 23.12 20.14 3fko s ALA 190 CO 0.26 -0.92 1.94 -1.00 0.00 0.00 0.00 175.76 176.04 3fko h PRO 191 N 2.52 0.73 0.00 0.00 0.13 -1.96 -1.45 132.00 131.98 3fko h PRO 191 Ca -0.50 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.55 3fko h PRO 191 Cb 1.25 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3fko h PRO 191 CO 0.62 0.49 -0.16 1.05 -0.23 0.00 0.00 178.00 179.76 3fko h GLU 192 N 0.76 0.00 0.02 0.86 9.09 -1.92 -2.32 114.58 121.08 3fko h GLU 192 Ca 0.33 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.41 3fko h GLU 192 Cb 0.32 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.37 3fko h GLU 192 CO -0.12 0.16 -2.02 1.51 0.05 0.00 0.00 179.01 178.60 3fko n ILE 193 N -3.51 1.57 0.06 -1.06 3.06 -0.82 -0.17 119.36 118.49 3fko n ILE 193 Ca -0.01 -0.76 0.01 0.00 -2.50 0.00 0.00 62.75 59.48 3fko n ILE 193 Cb 0.32 -1.05 0.32 0.00 0.54 0.00 0.00 39.64 39.77 3fko n ILE 193 CO 0.00 0.00 0.00 -0.03 -2.50 0.00 0.00 176.55 174.02 3fko h MET 194 N 0.01 0.37 -0.09 9.51 4.05 -1.10 -3.06 114.93 124.63 3fko h MET 194 Ca -0.41 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 3fko h MET 194 Cb 2.07 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.82 3fko h MET 194 CO 0.05 0.49 0.00 1.28 0.23 0.00 0.00 176.91 178.96 3fko n LEU 195 N -4.24 2.43 -3.98 3.39 4.77 -0.89 -5.02 117.00 113.45 3fko n LEU 195 Ca 0.00 -2.37 -0.35 0.00 -0.03 0.00 0.00 56.01 53.26 3fko n LEU 195 Cb 0.29 -0.20 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3fko n LEU 195 CO 0.39 0.61 -0.21 0.59 -1.33 0.00 0.00 177.39 177.44 3fko n ASN 196 N -0.56 -2.71 0.03 -1.43 5.03 -1.05 -4.89 115.26 109.69 3fko n ASN 196 Ca 0.08 -1.15 -0.03 0.00 0.87 0.00 0.00 54.58 54.35 3fko n ASN 196 Cb 0.44 -2.45 0.22 0.00 -1.02 0.00 0.00 39.78 36.97 3fko n ASN 196 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 3fko h TRP 197 N -2.11 0.50 -2.40 3.10 6.55 -0.84 -3.44 115.95 117.31 3fko h TRP 197 Ca -0.67 -0.10 0.17 0.00 0.95 0.00 0.00 58.89 59.23 3fko h TRP 197 Cb 1.39 -0.12 -0.06 0.00 -0.86 0.00 0.00 29.16 29.50 3fko h TRP 197 CO 0.41 0.66 0.51 0.00 -1.05 0.00 0.00 178.44 178.97 3fko s MET 198 N -4.51 1.26 -0.06 0.49 0.23 -1.25 -2.87 119.30 112.59 3fko s MET 198 Ca -0.07 -0.74 -0.30 0.00 -1.03 0.00 0.00 55.69 53.56 3fko s MET 198 Cb 0.14 0.40 -0.06 0.00 -1.53 0.00 0.00 34.83 33.78 3fko s MET 198 CO 0.78 -0.58 1.76 -1.58 -2.03 0.00 0.00 175.02 173.37 3fko s HIS 199 N -2.93 1.77 0.13 3.16 5.65 -1.26 -4.87 115.29 116.94 3fko s HIS 199 Ca 0.15 0.08 -0.01 0.00 0.25 0.00 0.00 55.06 55.53 3fko s HIS 199 Cb -0.02 -4.01 -0.04 0.00 -1.18 0.00 0.00 32.58 27.33 3fko s HIS 199 CO 0.03 -4.22 0.31 1.52 -0.65 0.00 0.00 174.74 171.73 3fko s TYR 200 N 4.48 3.49 0.11 3.88 1.13 -1.26 -5.12 117.35 124.07 3fko s TYR 200 Ca 0.78 0.30 0.01 0.00 -1.41 0.00 0.00 57.07 56.75 3fko s TYR 200 Cb -0.35 -1.81 0.02 0.00 -1.10 0.00 0.00 41.96 38.72 3fko s TYR 200 CO 0.33 0.49 0.16 0.27 -2.51 0.00 0.00 175.55 174.28 3fko n ASN 201 N -0.19 0.28 0.05 -0.18 2.04 -1.26 -5.00 115.26 111.00 3fko n ASN 201 Ca -0.05 -1.22 0.10 0.00 -0.44 0.00 0.00 54.58 52.97 3fko n ASN 201 Cb 0.53 -0.09 0.42 0.00 -2.53 0.00 0.00 39.78 38.10 3fko n ASN 201 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3fko n GLN 202 N -1.27 0.08 0.00 -3.83 10.64 -1.26 -2.88 117.38 118.86 3fko n GLN 202 Ca 0.03 0.26 0.13 0.00 -1.83 0.00 0.00 57.00 55.59 3fko n GLN 202 Cb 0.10 -1.64 0.78 0.00 -0.86 0.00 0.00 30.24 28.62 3fko n GLN 202 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 3fko n THR 203 N -1.79 0.00 -0.16 -0.39 -2.24 -1.26 -1.99 114.28 106.45 3fko n THR 203 Ca 0.04 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.88 3fko n THR 203 Cb 0.23 -0.56 0.36 0.00 -2.10 0.00 0.00 70.33 68.27 3fko n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3fko h VAL 204 N 0.00 1.04 0.00 2.28 -1.51 -1.91 -1.90 116.25 114.26 3fko h VAL 204 Ca 0.00 -0.25 -0.10 0.00 -1.23 0.00 0.00 66.70 65.12 3fko h VAL 204 Cb 0.00 0.23 -0.01 0.00 -2.13 0.00 0.00 31.29 29.38 3fko h VAL 204 CO 0.00 0.14 -0.46 0.44 -1.23 0.00 0.00 177.57 176.46 3fko h ASP 205 N 0.74 0.00 -0.14 4.19 3.32 -1.67 -2.69 116.42 120.17 3fko h ASP 205 Ca 0.29 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.17 3fko h ASP 205 Cb 0.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3fko h ASP 205 CO -0.09 0.46 -0.54 0.40 -1.72 0.00 0.00 179.24 177.74 3fko h ILE 206 N 0.00 1.30 -0.22 0.35 1.08 -1.50 -1.88 117.51 116.63 3fko h ILE 206 Ca -0.00 -1.75 0.05 0.00 -0.39 0.00 0.00 64.86 62.76 3fko h ILE 206 Cb 0.84 1.68 -0.04 0.00 -3.07 0.00 0.00 36.82 36.23 3fko h ILE 206 CO 0.06 0.56 -0.07 -0.25 -0.69 0.00 0.00 178.15 177.76 3fko h TRP 207 N 0.56 -0.16 -0.66 1.37 2.91 -1.20 -1.35 115.95 117.43 3fko h TRP 207 Ca 0.01 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.12 3fko h TRP 207 Cb 1.12 0.10 -0.06 0.00 -0.51 0.00 0.00 29.16 29.82 3fko h TRP 207 CO 0.06 -0.12 0.35 0.77 -1.03 0.00 0.00 178.44 178.48 3fko h SER 208 N -0.03 0.51 -0.28 2.65 0.02 -1.33 -1.52 113.55 113.57 3fko h SER 208 Ca 0.11 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3fko h SER 208 Cb 0.19 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 3fko h SER 208 CO -0.24 0.33 0.05 0.58 -1.14 0.00 0.00 176.83 176.41 3fko h VAL 209 N 0.65 0.86 -0.51 2.27 2.07 -1.04 0.25 116.25 120.79 3fko h VAL 209 Ca 0.30 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 67.87 3fko h VAL 209 Cb 0.21 0.69 -0.10 0.00 -1.52 0.00 0.00 31.29 30.57 3fko h VAL 209 CO -0.20 0.03 -0.19 1.23 0.02 0.00 0.00 177.57 178.47 3fko h GLY 210 N 0.15 0.24 1.00 2.17 0.00 -0.68 0.50 103.07 106.45 3fko h GLY 210 Ca 0.13 0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 3fko h GLY 210 CO -0.18 -0.21 0.41 0.00 0.00 0.00 0.00 176.54 176.56 3fko h ILE 212 N 0.90 0.87 -0.79 0.00 2.04 -0.22 -2.59 117.51 117.73 3fko h ILE 212 Ca 0.24 -0.57 0.13 0.00 1.00 0.00 0.00 64.86 65.66 3fko h ILE 212 Cb -0.05 1.20 -0.09 0.00 -0.74 0.00 0.00 36.82 37.15 3fko h ILE 212 CO -0.05 0.13 0.38 -0.03 0.00 0.00 0.00 178.15 178.58 3fko h MET 213 N -0.58 0.56 -0.63 2.37 4.05 0.05 -1.11 114.93 119.64 3fko h MET 213 Ca -0.03 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3fko h MET 213 Cb 0.42 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 3fko h MET 213 CO 0.05 0.37 0.40 0.00 0.23 0.00 0.00 176.91 177.96 3fko h ALA 214 N 1.52 0.81 -0.49 0.39 0.00 -1.11 -2.49 119.26 117.89 3fko h ALA 214 Ca 0.42 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 3fko h ALA 214 Cb 0.57 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3fko h ALA 214 CO -0.35 0.26 -0.02 1.49 0.00 0.00 0.00 179.25 180.64 3fko h GLU 215 N 0.86 0.82 -0.38 0.00 4.81 -0.92 -1.82 114.58 117.96 3fko h GLU 215 Ca 0.23 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3fko h GLU 215 Cb -0.06 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 3fko h GLU 215 CO -0.05 0.84 0.02 -0.07 -0.73 0.00 0.00 179.01 179.02 3fko h LEU 216 N 0.76 0.56 -0.01 1.64 3.38 -1.07 0.96 115.31 121.53 3fko h LEU 216 Ca 0.14 -0.11 -0.23 0.00 0.09 0.00 0.00 57.88 57.77 3fko h LEU 216 Cb 0.49 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3fko h LEU 216 CO 0.02 0.62 -1.07 -0.07 0.09 0.00 0.00 178.44 178.03 3fko h LEU 217 N 0.57 0.24 0.00 1.67 3.38 -1.06 0.44 115.31 120.55 3fko h LEU 217 Ca 0.12 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3fko h LEU 217 Cb 0.34 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3fko h LEU 217 CO 0.01 1.15 -1.55 0.35 0.09 0.00 0.00 178.44 178.49 3fko n THR 218 N -3.50 0.00 -1.00 0.22 -2.24 -0.72 -4.61 114.28 102.44 3fko n THR 218 Ca -0.04 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3fko n THR 218 Cb 0.94 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 3fko n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fko n GLY 219 N 1.79 0.43 3.09 3.38 0.00 0.33 -4.63 105.19 109.58 3fko n GLY 219 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 3fko n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fko s ARG 220 N -0.32 1.06 0.16 1.61 1.81 -1.22 -4.77 118.95 117.28 3fko s ARG 220 Ca 0.00 -0.46 -0.34 0.00 -1.72 0.00 0.00 55.73 53.21 3fko s ARG 220 Cb 0.00 -1.02 -0.14 0.00 -0.45 0.00 0.00 34.95 33.33 3fko s ARG 220 CO 0.00 0.27 1.53 2.41 -0.68 0.00 0.00 175.30 178.84 3fko n THR 221 N 2.79 0.08 -0.01 0.02 -1.04 -1.26 -4.04 114.28 110.82 3fko n THR 221 Ca -0.14 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 61.72 3fko n THR 221 Cb 0.55 -1.45 -0.10 0.00 -1.82 0.00 0.00 70.33 67.52 3fko n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3fko h LEU 222 N 5.61 -0.00 -6.08 -4.42 5.85 -1.92 -3.38 115.31 110.97 3fko h LEU 222 Ca -0.45 -0.43 -0.59 0.00 0.84 0.00 0.00 57.88 57.25 3fko h LEU 222 Cb 1.27 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.88 3fko h LEU 222 CO 0.86 0.43 -0.71 0.49 -0.34 0.00 0.00 178.44 179.17 3fko n PHE 223 N -4.88 2.80 -1.69 1.25 3.01 -1.26 -4.99 117.46 111.70 3fko n PHE 223 Ca -0.08 -4.02 -0.42 0.00 1.01 0.00 0.00 57.45 53.94 3fko n PHE 223 Cb 0.22 -0.51 -0.00 0.00 -0.01 0.00 0.00 39.48 39.18 3fko n PHE 223 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3fko n PRO 224 N 0.86 2.92 -2.03 -1.08 -0.04 -1.26 -4.69 135.00 129.68 3fko n PRO 224 Ca 0.28 -2.56 -0.38 0.00 -0.04 0.00 0.00 63.50 60.80 3fko n PRO 224 Cb 0.44 -3.24 0.01 0.00 -0.04 0.00 0.00 33.50 30.67 3fko n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3fko s GLY 225 N 3.12 2.84 0.06 0.55 0.00 -1.26 -4.93 107.32 107.70 3fko s GLY 225 Ca 0.49 1.14 0.27 0.00 0.00 0.00 0.00 44.72 46.62 3fko s GLY 225 CO -0.09 1.63 1.74 -1.30 0.00 0.00 0.00 173.10 175.08 3fko n THR 226 N -0.67 0.18 -3.80 0.90 -2.24 -1.26 -4.24 114.28 103.15 3fko n THR 226 Ca 0.08 -0.10 -0.03 0.00 -2.27 0.00 0.00 64.05 61.74 3fko n THR 226 Cb 0.46 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 3fko n THR 226 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3fko s ASP 227 N -3.49 -0.08 0.21 3.42 -4.77 -1.24 -2.73 116.67 107.99 3fko s ASP 227 Ca 0.12 -0.50 -0.10 0.00 -3.30 0.00 0.00 52.55 48.77 3fko s ASP 227 Cb 0.17 0.45 0.30 0.00 -1.09 0.00 0.00 42.92 42.75 3fko s ASP 227 CO 0.60 -0.87 1.69 0.45 0.70 0.00 0.00 175.17 177.74 3fko h HIS 228 N 2.00 0.12 -0.11 2.11 3.86 -1.87 -0.70 115.15 120.56 3fko h HIS 228 Ca -0.26 0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 58.94 3fko h HIS 228 Cb 1.22 0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.73 3fko h HIS 228 CO 0.83 -0.08 -0.12 0.82 0.86 0.00 0.00 177.93 180.24 3fko h ILE 229 N 0.21 1.36 -0.72 2.45 1.08 -1.99 -1.30 117.51 118.60 3fko h ILE 229 Ca 0.32 -1.29 0.06 0.00 -0.39 0.00 0.00 64.86 63.56 3fko h ILE 229 Cb 0.49 1.97 -0.06 0.00 -3.07 0.00 0.00 36.82 36.15 3fko h ILE 229 CO -0.44 0.37 0.42 -0.78 -0.69 0.00 0.00 178.15 177.02 3fko h ASP 230 N -0.13 0.63 -0.55 1.72 1.82 -1.91 -1.56 116.42 116.43 3fko h ASP 230 Ca 0.02 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.66 3fko h ASP 230 Cb 0.64 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.52 3fko h ASP 230 CO 0.03 0.41 0.28 -0.61 -1.61 0.00 0.00 179.24 177.74 3fko h GLN 231 N 0.77 0.79 -0.73 0.28 4.15 -1.06 -1.87 115.11 117.44 3fko h GLN 231 Ca 0.32 -0.11 0.06 0.00 0.77 0.00 0.00 58.65 59.69 3fko h GLN 231 Cb 0.17 -0.15 -0.06 0.00 0.21 0.00 0.00 27.48 27.66 3fko h GLN 231 CO -0.17 0.63 0.42 1.25 -1.93 0.00 0.00 178.83 179.03 3fko h LEU 232 N 0.75 0.64 -0.78 -2.39 5.85 -0.69 -0.24 115.31 118.44 3fko h LEU 232 Ca 0.19 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 3fko h LEU 232 Cb 0.09 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3fko h LEU 232 CO -0.03 0.41 0.17 0.11 -0.34 0.00 0.00 178.44 178.76 3fko h LYS 233 N 0.77 1.09 -0.51 1.25 1.57 -1.09 0.82 116.57 120.46 3fko h LYS 233 Ca 0.32 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3fko h LYS 233 Cb 0.19 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3fko h LYS 233 CO -0.18 0.96 0.32 -0.07 -0.57 0.00 0.00 179.45 179.90 3fko h LEU 234 N 1.03 0.61 0.58 2.94 3.38 -0.76 -1.13 115.31 121.96 3fko h LEU 234 Ca 0.22 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3fko h LEU 234 Cb 0.36 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.96 3fko h LEU 234 CO 0.00 0.47 -0.28 0.40 0.09 0.00 0.00 178.44 179.12 3fko h ILE 235 N 0.69 0.43 0.00 1.22 2.04 -0.66 -3.00 117.51 118.23 3fko h ILE 235 Ca 0.18 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 66.00 3fko h ILE 235 Cb -0.03 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3fko h ILE 235 CO -0.04 0.00 -0.13 -0.07 0.00 0.00 0.00 178.15 177.91 3fko h LEU 236 N -0.79 0.00 -0.60 1.44 3.38 -0.81 -0.23 115.31 117.71 3fko h LEU 236 Ca -0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3fko h LEU 236 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3fko h LEU 236 CO 0.13 0.13 0.04 -0.09 0.09 0.00 0.00 178.44 178.74 3fko h ARG 237 N 0.00 1.03 0.04 1.13 2.43 -1.15 0.25 114.38 118.12 3fko h ARG 237 Ca -0.00 -0.31 -0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3fko h ARG 237 Cb 0.35 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3fko h ARG 237 CO 0.02 1.00 -0.02 1.25 -1.51 0.00 0.00 179.97 180.71 3fko h LEU 238 N 0.93 -0.05 -0.28 3.80 5.85 -1.14 -3.37 115.31 121.05 3fko h LEU 238 Ca 0.17 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3fko h LEU 238 Cb 0.51 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3fko h LEU 238 CO 0.02 0.61 -0.59 1.33 -0.34 0.00 0.00 178.44 179.47 3fko n VAL 239 N -4.80 0.00 0.00 1.05 0.24 -0.20 -0.89 118.33 113.73 3fko n VAL 239 Ca -0.09 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 3fko n VAL 239 Cb 0.32 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 3fko n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fko n GLY 240 N 1.45 -0.51 3.79 7.63 0.00 0.07 -4.23 105.19 113.39 3fko n GLY 240 Ca 0.07 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 3fko n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fko s THR 241 N -3.05 3.58 0.45 2.61 -4.23 -0.65 -4.66 115.64 109.69 3fko s THR 241 Ca 0.00 0.83 -0.24 0.00 -1.18 0.00 0.00 61.69 61.10 3fko s THR 241 Cb 0.00 -3.32 -0.07 0.00 1.34 0.00 0.00 72.50 70.45 3fko s THR 241 CO 0.00 -0.37 1.23 -2.16 -0.54 0.00 0.00 174.62 172.78 3fko s PRO 242 N -3.80 3.74 0.79 3.99 0.04 -1.26 -4.85 135.00 133.65 3fko s PRO 242 Ca 0.66 1.96 -0.10 0.00 0.04 0.00 0.00 61.00 63.56 3fko s PRO 242 Cb -0.18 -2.50 0.18 0.00 0.04 0.00 0.00 34.50 32.03 3fko s PRO 242 CO 0.33 -0.62 1.08 0.41 0.04 0.00 0.00 177.00 178.24 3fko n GLY 243 N 0.58 -0.84 0.37 0.56 0.00 -1.26 -4.88 105.19 99.71 3fko n GLY 243 Ca 0.07 -1.80 -0.01 0.00 0.00 0.00 0.00 46.02 44.28 3fko n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fko h ALA 244 N -1.46 1.34 -0.30 4.61 0.00 -1.99 -2.38 119.26 119.07 3fko h ALA 244 Ca -0.35 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.56 3fko h ALA 244 Cb 1.05 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 3fko h ALA 244 CO 0.28 0.61 -0.11 1.49 0.00 0.00 0.00 179.25 181.52 3fko h GLU 245 N 1.24 -0.05 -0.04 0.00 4.81 -2.01 -2.33 114.58 116.20 3fko h GLU 245 Ca 0.33 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.36 3fko h GLU 245 Cb -0.14 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.25 3fko h GLU 245 CO -0.07 -0.03 -0.85 1.25 -0.73 0.00 0.00 179.01 178.58 3fko h LEU 246 N -0.05 0.54 -0.96 1.64 5.85 -1.90 -3.24 115.31 117.18 3fko h LEU 246 Ca 0.15 -0.40 0.12 0.00 0.84 0.00 0.00 57.88 58.59 3fko h LEU 246 Cb 0.29 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 3fko h LEU 246 CO -0.34 1.18 0.59 -0.07 -0.34 0.00 0.00 178.44 179.45 3fko h LEU 247 N 0.27 0.86 -1.76 2.25 3.38 -1.13 -0.56 115.31 118.62 3fko h LEU 247 Ca -0.06 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3fko h LEU 247 Cb 1.46 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 3fko h LEU 247 CO 0.15 0.46 0.30 0.11 0.09 0.00 0.00 178.44 179.55 3fko h LYS 248 N 0.94 0.28 -0.00 1.13 1.57 -1.45 -2.52 116.57 116.51 3fko h LYS 248 Ca 0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 3fko h LYS 248 Cb 0.47 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3fko h LYS 248 CO -0.27 0.18 -0.11 1.63 -0.57 0.00 0.00 179.45 180.32 3fko n LYS 249 N -4.47 0.26 -2.85 3.15 5.02 -0.23 -4.55 118.16 114.50 3fko n LYS 249 Ca 0.06 -0.06 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 3fko n LYS 249 Cb 0.31 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 3fko n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fko s ILE 250 N -2.78 4.45 0.38 -0.18 1.01 -0.95 -4.80 121.20 118.33 3fko s ILE 250 Ca 0.20 -0.95 0.21 0.00 0.00 0.00 0.00 60.65 60.11 3fko s ILE 250 Cb 0.19 -4.78 0.21 0.00 0.01 0.00 0.00 42.46 38.10 3fko s ILE 250 CO 0.53 -1.55 1.97 0.77 0.00 0.00 0.00 174.94 176.66 3fko h SER 251 N 9.27 0.00 -2.08 3.58 4.64 -1.76 -3.39 113.55 123.80 3fko h SER 251 Ca -0.02 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.79 3fko h SER 251 Cb 1.04 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.10 3fko h SER 251 CO 1.18 0.21 1.33 -0.55 -0.87 0.00 0.00 176.83 178.13 3fko s SER 252 N -6.51 5.37 0.38 4.97 0.15 -1.14 -4.85 113.70 112.07 3fko s SER 252 Ca -0.03 0.41 0.05 0.00 0.70 0.00 0.00 55.95 57.09 3fko s SER 252 Cb 0.14 -2.53 0.76 0.00 -1.71 0.00 0.00 66.02 62.67 3fko s SER 252 CO 0.65 -2.28 2.02 -0.08 1.20 0.00 0.00 173.24 174.74 3fko h GLU 253 N 14.56 0.63 -0.10 5.44 4.81 -1.93 0.47 114.58 138.45 3fko h GLU 253 Ca -0.27 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 3fko h GLU 253 Cb 1.16 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 3fko h GLU 253 CO 1.20 0.44 0.04 1.03 -0.73 0.00 0.00 179.01 180.99 3fko h SER 254 N 0.64 0.15 -0.48 1.04 0.87 -1.95 -0.58 113.55 113.24 3fko h SER 254 Ca 0.17 -0.17 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 3fko h SER 254 Cb -0.02 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 3fko h SER 254 CO -0.03 0.28 -0.15 0.00 -0.53 0.00 0.00 176.83 176.39 3fko h ALA 255 N 0.87 0.77 -0.24 6.23 0.00 -1.84 -2.73 119.26 122.33 3fko h ALA 255 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3fko h ALA 255 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3fko h ALA 255 CO -0.00 0.67 0.16 -0.09 0.00 0.00 0.00 179.25 179.98 3fko h ARG 256 N 0.86 0.32 -0.89 0.00 2.43 -0.86 -2.50 114.38 113.73 3fko h ARG 256 Ca 0.13 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3fko h ARG 256 Cb 0.71 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 3fko h ARG 256 CO 0.05 0.21 0.59 -0.97 -1.51 0.00 0.00 179.97 178.35 3fko h ASN 257 N 0.32 1.00 -0.56 -3.80 -0.73 -1.03 -2.57 115.58 108.23 3fko h ASN 257 Ca 0.09 -0.02 -0.10 0.00 1.87 0.00 0.00 56.30 58.14 3fko h ASN 257 Cb -0.03 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.29 3fko h ASN 257 CO -0.02 0.71 -0.05 0.22 -0.37 0.00 0.00 177.43 177.92 3fko h TYR 258 N 1.17 1.12 -0.79 0.67 3.20 -1.30 -3.16 116.97 117.89 3fko h TYR 258 Ca 0.34 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3fko h TYR 258 Cb -0.08 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 37.87 3fko h TYR 258 CO -0.00 1.03 0.47 0.82 -1.64 0.00 0.00 178.16 178.83 3fko h ILE 259 N 0.90 1.23 0.00 1.81 2.04 -1.07 -2.09 117.51 120.33 3fko h ILE 259 Ca 0.15 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3fko h ILE 259 Cb 0.61 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3fko h ILE 259 CO 0.04 0.24 0.00 1.56 0.00 0.00 0.00 178.15 179.99 3fko h GLN 260 N 1.09 0.00 0.00 2.37 4.20 -1.48 -1.60 115.11 119.68 3fko h GLN 260 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 3fko h GLN 260 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3fko h GLN 260 CO -0.05 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.77 3fko h SER 261 N 0.00 0.00 -3.72 1.46 4.64 -1.34 -3.46 113.55 111.14 3fko h SER 261 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3fko h SER 261 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3fko h SER 261 CO 0.00 0.00 0.26 -0.76 -0.87 0.00 0.00 176.83 175.46 3fko s LEU 262 N -4.93 4.46 0.11 5.97 1.43 -0.60 -5.01 118.68 120.10 3fko s LEU 262 Ca 0.07 1.74 -0.31 0.00 -1.03 0.00 0.00 54.13 54.60 3fko s LEU 262 Cb 0.10 -3.69 -0.09 0.00 0.03 0.00 0.00 46.19 42.54 3fko s LEU 262 CO 0.54 0.06 1.70 -0.89 0.23 0.00 0.00 176.35 177.99 3fko s THR 263 N -1.40 2.77 0.38 5.49 2.01 -1.26 -4.95 115.64 118.67 3fko s THR 263 Ca 0.44 0.32 -0.28 0.00 0.31 0.00 0.00 61.69 62.48 3fko s THR 263 Cb -0.21 -3.21 -0.10 0.00 0.01 0.00 0.00 72.50 68.99 3fko s THR 263 CO 0.26 0.00 1.42 -1.10 -0.69 0.00 0.00 174.62 174.51 3fko s GLN 264 N 2.37 4.11 -0.01 4.92 -0.21 -1.26 -4.92 119.66 124.67 3fko s GLN 264 Ca 0.75 2.43 0.01 0.00 0.02 0.00 0.00 55.36 58.57 3fko s GLN 264 Cb -0.43 -2.94 -0.00 0.00 1.00 0.00 0.00 33.01 30.64 3fko s GLN 264 CO 0.33 -0.48 -0.04 -1.64 -2.12 0.00 0.00 175.29 171.35 3fko s MET 265 N -2.07 0.33 0.50 2.91 -1.94 -1.26 -4.98 119.30 112.79 3fko s MET 265 Ca 0.53 -0.13 -0.18 0.00 -1.71 0.00 0.00 55.69 54.20 3fko s MET 265 Cb -0.44 -0.33 -0.08 0.00 2.01 0.00 0.00 34.83 35.99 3fko s MET 265 CO 0.59 0.07 0.99 -1.25 -0.01 0.00 0.00 175.02 175.41 3fko s PRO 266 N -0.02 3.90 0.28 2.03 0.04 -1.26 -1.64 135.00 138.33 3fko s PRO 266 Ca 0.01 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 61.83 3fko s PRO 266 Cb -0.02 -2.13 -0.13 0.00 0.04 0.00 0.00 34.50 32.26 3fko s PRO 266 CO -0.00 -0.31 1.43 1.17 0.04 0.00 0.00 177.00 179.32 3fko n LYS 267 N -1.33 2.23 -1.70 4.56 4.81 -1.26 -4.19 118.16 121.27 3fko n LYS 267 Ca 0.07 0.79 -0.31 0.00 -0.87 0.00 0.00 58.31 58.00 3fko n LYS 267 Cb 0.54 -2.46 0.04 0.00 0.02 0.00 0.00 35.03 33.16 3fko n LYS 267 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3fko s MET 268 N -0.75 3.08 -0.42 1.64 -1.94 -0.07 -4.91 119.30 115.93 3fko s MET 268 Ca 0.64 0.81 -0.29 0.00 -1.71 0.00 0.00 55.69 55.14 3fko s MET 268 Cb -0.59 -2.02 0.02 0.00 2.01 0.00 0.00 34.83 34.25 3fko s MET 268 CO 0.52 -0.96 1.23 1.21 -0.01 0.00 0.00 175.02 177.01 3fko s ASN 269 N -3.99 6.58 0.49 3.03 3.04 -1.26 -4.92 114.94 117.92 3fko s ASN 269 Ca 0.57 0.70 0.20 0.00 0.04 0.00 0.00 52.86 54.37 3fko s ASN 269 Cb -0.13 -2.55 1.26 0.00 -1.54 0.00 0.00 41.25 38.30 3fko s ASN 269 CO 0.54 -1.25 2.07 -0.26 -3.04 0.00 0.00 177.10 175.16 3fko h PHE 270 N 9.53 0.00 0.00 0.43 -1.00 -1.94 -0.89 116.94 123.06 3fko h PHE 270 Ca -0.24 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.50 3fko h PHE 270 Cb 1.08 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.63 3fko h PHE 270 CO 0.95 0.12 -0.18 0.00 -1.61 0.00 0.00 178.31 177.59 3fko h ALA 271 N 1.88 1.29 0.00 2.45 0.00 -1.91 0.27 119.26 123.25 3fko h ALA 271 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3fko h ALA 271 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3fko h ALA 271 CO 0.02 0.23 -0.58 -0.91 0.00 0.00 0.00 179.25 178.00 3fko h ASN 272 N 0.00 0.00 0.04 0.00 -0.26 -1.58 -3.33 115.58 110.45 3fko h ASN 272 Ca -0.00 -0.16 -0.24 0.00 -0.56 0.00 0.00 56.30 55.34 3fko h ASN 272 Cb 0.44 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.68 3fko h ASN 272 CO 0.02 0.08 -1.28 0.58 -1.06 0.00 0.00 177.43 175.78 3fko h VAL 273 N 0.00 0.97 -2.61 2.81 2.07 -1.06 -3.40 116.25 115.02 3fko h VAL 273 Ca 0.00 -2.25 -0.81 0.00 0.82 0.00 0.00 66.70 64.46 3fko h VAL 273 Cb 0.78 2.44 -0.28 0.00 -1.52 0.00 0.00 31.29 32.71 3fko h VAL 273 CO 0.00 0.48 0.90 0.49 0.02 0.00 0.00 177.57 179.46 3fko n PHE 274 N -4.24 2.47 -1.87 1.57 3.01 0.91 -5.02 117.46 114.29 3fko n PHE 274 Ca -0.29 -2.56 -0.42 0.00 1.01 0.00 0.00 57.45 55.19 3fko n PHE 274 Cb 0.75 -1.23 -0.03 0.00 -0.01 0.00 0.00 39.48 38.96 3fko n PHE 274 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3fko s ILE 275 N -3.51 2.68 0.00 4.37 1.01 -1.25 -2.40 121.20 122.10 3fko s ILE 275 Ca 0.35 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.34 3fko s ILE 275 Cb 0.11 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.36 3fko s ILE 275 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.56 3fko n GLY 276 N 3.94 1.73 3.80 6.18 0.00 -1.26 -5.03 105.19 114.54 3fko n GLY 276 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3fko n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fko s ALA 277 N -2.47 2.66 -0.15 4.61 0.00 -1.01 -4.95 121.76 120.46 3fko s ALA 277 Ca 0.00 0.39 -0.37 0.00 0.00 0.00 0.00 51.96 51.97 3fko s ALA 277 Cb 0.00 -3.24 -0.14 0.00 0.00 0.00 0.00 23.12 19.73 3fko s ALA 277 CO 0.00 -0.99 1.75 -1.71 0.00 0.00 0.00 175.76 174.81 3fko n ASN 278 N -2.29 2.78 0.04 0.00 2.85 -1.26 -4.86 115.26 112.51 3fko n ASN 278 Ca 0.09 1.04 0.21 0.00 -0.11 0.00 0.00 54.58 55.81 3fko n ASN 278 Cb 0.53 -1.25 0.73 0.00 1.24 0.00 0.00 39.78 41.03 3fko n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3fko h PRO 279 N 7.67 0.00 -0.08 1.20 0.11 -1.97 0.12 132.00 139.05 3fko h PRO 279 Ca -0.47 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.45 3fko h PRO 279 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3fko h PRO 279 CO 0.94 0.00 -0.74 -0.07 -0.21 0.00 0.00 178.00 177.92 3fko h LEU 280 N 0.00 0.51 -0.37 2.35 3.38 -1.99 -1.89 115.31 117.30 3fko h LEU 280 Ca 0.23 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3fko h LEU 280 Cb 1.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3fko h LEU 280 CO -0.00 1.08 0.23 0.00 0.09 0.00 0.00 178.44 179.84 3fko h ALA 281 N 0.91 0.47 -0.24 1.53 0.00 -1.38 -2.11 119.26 118.44 3fko h ALA 281 Ca -0.03 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3fko h ALA 281 Cb 1.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3fko h ALA 281 CO 0.13 -0.04 0.09 0.28 0.00 0.00 0.00 179.25 179.71 3fko h VAL 282 N 0.49 0.95 -0.55 0.00 2.07 -1.23 -0.97 116.25 117.01 3fko h VAL 282 Ca 0.13 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.61 3fko h VAL 282 Cb -0.01 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3fko h VAL 282 CO -0.03 0.04 0.33 -0.78 0.02 0.00 0.00 177.57 177.15 3fko h ASP 283 N 0.21 0.52 -0.46 0.57 3.58 -1.29 -1.16 116.42 118.40 3fko h ASP 283 Ca 0.10 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 3fko h ASP 283 Cb 0.06 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 3fko h ASP 283 CO -0.10 0.36 0.14 0.25 -2.88 0.00 0.00 179.24 177.02 3fko h LEU 284 N 0.64 0.67 -0.77 2.28 5.85 -1.11 -2.43 115.31 120.45 3fko h LEU 284 Ca 0.23 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3fko h LEU 284 Cb 0.04 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 3fko h LEU 284 CO -0.11 0.70 0.44 -0.07 -0.34 0.00 0.00 178.44 179.06 3fko h LEU 285 N 0.60 0.66 -1.40 2.25 3.38 -0.81 -0.55 115.31 119.44 3fko h LEU 285 Ca 0.15 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.19 3fko h LEU 285 Cb 0.27 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3fko h LEU 285 CO -0.00 0.41 0.44 -0.33 0.09 0.00 0.00 178.44 179.05 3fko h GLU 286 N 0.79 0.76 0.00 1.13 5.08 -0.90 0.18 114.58 121.62 3fko h GLU 286 Ca 0.35 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.53 3fko h GLU 286 Cb 0.24 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3fko h GLU 286 CO -0.20 0.50 -0.66 0.87 -1.00 0.00 0.00 179.01 178.52 3fko h LYS 287 N 0.78 0.00 0.18 2.33 1.57 -0.84 -3.33 116.57 117.26 3fko h LYS 287 Ca 0.27 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.74 3fko h LYS 287 Cb 0.11 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.43 3fko h LYS 287 CO -0.08 0.60 -1.52 0.52 -0.57 0.00 0.00 179.45 178.40 3fko h MET 288 N 0.00 0.38 -2.44 3.15 2.86 -0.59 -1.94 114.93 116.35 3fko h MET 288 Ca -0.02 -0.66 -0.75 0.00 -2.06 0.00 0.00 59.70 56.21 3fko h MET 288 Cb 1.48 0.24 -0.18 0.00 0.06 0.00 0.00 31.60 33.21 3fko h MET 288 CO 0.08 1.31 1.80 1.28 1.06 0.00 0.00 176.91 182.45 3fko n LEU 289 N -3.76 7.73 -4.71 1.22 4.77 0.59 -4.30 117.00 118.54 3fko n LEU 289 Ca -0.22 -5.02 -0.35 0.00 -0.03 0.00 0.00 56.01 50.39 3fko n LEU 289 Cb 1.02 -1.28 -0.08 0.00 -2.33 0.00 0.00 43.42 40.74 3fko n LEU 289 CO 0.51 2.03 -0.21 -0.69 -1.33 0.00 0.00 177.39 177.70 3fko s VAL 290 N -2.41 5.11 0.10 4.08 1.01 -1.26 -4.88 120.40 122.15 3fko s VAL 290 Ca 0.49 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.30 3fko s VAL 290 Cb 0.20 -3.30 -0.11 0.00 0.00 0.00 0.00 36.38 33.18 3fko s VAL 290 CO -0.12 0.48 1.69 0.25 0.00 0.00 0.00 175.10 177.40 3fko h LEU 291 N 6.36 -0.33 -8.94 3.92 5.85 -1.91 -3.39 115.31 116.86 3fko h LEU 291 Ca -0.42 0.04 -0.57 0.00 0.84 0.00 0.00 57.88 57.77 3fko h LEU 291 Cb 1.17 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.29 3fko h LEU 291 CO 0.70 -0.18 1.11 -0.62 -0.34 0.00 0.00 178.44 179.11 3fko s ASP 292 N -4.98 6.34 0.46 1.25 3.68 -1.26 -4.91 116.67 117.26 3fko s ASP 292 Ca -0.14 1.31 0.17 0.00 2.13 0.00 0.00 52.55 56.02 3fko s ASP 292 Cb 0.07 -2.53 1.10 0.00 -1.45 0.00 0.00 42.92 40.11 3fko s ASP 292 CO 0.66 -1.34 2.01 0.77 0.13 0.00 0.00 175.17 177.40 3fko h SER 293 N 10.81 0.00 -0.01 -0.34 4.64 -1.98 -1.31 113.55 125.36 3fko h SER 293 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3fko h SER 293 Cb 1.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3fko h SER 293 CO 1.03 0.17 0.02 0.44 -0.87 0.00 0.00 176.83 177.62 3fko h ASP 294 N 0.00 0.00 -0.01 4.97 3.45 -1.94 -3.03 116.42 119.85 3fko h ASP 294 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3fko h ASP 294 Cb 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 3fko h ASP 294 CO 0.02 0.00 -0.21 0.29 -1.57 0.00 0.00 179.24 177.77 3fko n LYS 295 N -3.66 1.57 -2.02 3.56 5.02 -0.50 -4.98 118.16 117.15 3fko n LYS 295 Ca -0.03 -1.02 -0.37 0.00 -2.02 0.00 0.00 58.31 54.88 3fko n LYS 295 Cb 0.10 -1.27 0.02 0.00 -0.02 0.00 0.00 35.03 33.86 3fko n LYS 295 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3fko s ARG 296 N -1.67 3.26 0.43 1.97 0.52 -1.15 -4.98 118.95 117.34 3fko s ARG 296 Ca 0.15 1.93 -0.25 0.00 -0.52 0.00 0.00 55.73 57.04 3fko s ARG 296 Cb 0.13 -2.17 -0.08 0.00 0.52 0.00 0.00 34.95 33.34 3fko s ARG 296 CO 0.32 -1.00 1.35 -1.50 0.02 0.00 0.00 175.30 174.50 3fko s ILE 297 N -1.49 2.38 0.64 1.52 2.07 -0.73 -5.04 121.20 120.55 3fko s ILE 297 Ca 0.71 0.33 -0.05 0.00 -1.41 0.00 0.00 60.65 60.24 3fko s ILE 297 Cb -0.33 -3.19 0.04 0.00 0.13 0.00 0.00 42.46 39.11 3fko s ILE 297 CO 0.38 0.04 0.93 0.42 -1.91 0.00 0.00 174.94 174.81 3fko s THR 298 N -1.25 2.69 0.16 4.00 -4.23 -1.26 -4.91 115.64 110.84 3fko s THR 298 Ca 0.60 -0.30 -0.14 0.00 -1.18 0.00 0.00 61.69 60.67 3fko s THR 298 Cb -0.40 -3.11 0.05 0.00 1.34 0.00 0.00 72.50 70.38 3fko s THR 298 CO 0.51 -0.11 1.74 0.00 -0.54 0.00 0.00 174.62 176.23 3fko h ALA 299 N -0.35 0.67 -0.59 3.99 0.00 -1.93 0.57 119.26 121.62 3fko h ALA 299 Ca -0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 3fko h ALA 299 Cb 1.30 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3fko h ALA 299 CO 0.59 0.24 0.31 0.00 0.00 0.00 0.00 179.25 180.38 3fko h ALA 300 N 1.09 0.76 -0.57 0.00 0.00 -1.94 -1.18 119.26 117.43 3fko h ALA 300 Ca 0.18 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3fko h ALA 300 Cb 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3fko h ALA 300 CO -0.02 0.30 0.19 1.96 0.00 0.00 0.00 179.25 181.68 3fko h GLN 301 N 0.81 0.87 -0.39 0.00 4.20 -1.91 -3.12 115.11 115.57 3fko h GLN 301 Ca 0.21 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 3fko h GLN 301 Cb 0.08 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3fko h GLN 301 CO -0.03 0.78 0.00 0.00 -0.67 0.00 0.00 178.83 178.91 3fko h ALA 302 N 1.05 1.28 -0.06 3.87 0.00 -0.51 -2.64 119.26 122.25 3fko h ALA 302 Ca 0.18 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3fko h ALA 302 Cb 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3fko h ALA 302 CO -0.01 0.49 -0.16 -0.07 0.00 0.00 0.00 179.25 179.49 3fko h LEU 303 N 0.59 0.08 -0.53 0.00 3.38 -1.16 -1.89 115.31 115.78 3fko h LEU 303 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3fko h LEU 303 Cb 0.37 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3fko h LEU 303 CO 0.01 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.80 3fko n ALA 304 N -2.50 2.62 -1.77 1.53 0.00 -1.00 -4.74 120.51 114.65 3fko n ALA 304 Ca -0.02 -0.33 -0.39 0.00 0.00 0.00 0.00 53.44 52.70 3fko n ALA 304 Cb 0.26 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 3fko n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fko s HIS 305 N -1.98 3.14 0.65 0.00 5.04 -0.71 -4.91 115.29 116.53 3fko s HIS 305 Ca 0.41 1.56 0.34 0.00 -1.54 0.00 0.00 55.06 55.83 3fko s HIS 305 Cb 0.20 -3.41 1.89 0.00 0.04 0.00 0.00 32.58 31.30 3fko s HIS 305 CO 0.33 -1.26 2.09 0.00 -2.34 0.00 0.00 174.74 173.56 3fko h ALA 306 N 2.90 1.33 0.00 1.58 0.00 -1.91 -1.24 119.26 121.92 3fko h ALA 306 Ca -0.48 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3fko h ALA 306 Cb 1.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3fko h ALA 306 CO 0.63 -0.24 -0.02 -0.92 0.00 0.00 0.00 179.25 178.71 3fko h TYR 307 N 0.00 0.00 -0.68 0.00 3.20 -1.91 -2.74 116.97 114.84 3fko h TYR 307 Ca 0.02 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.65 3fko h TYR 307 Cb 0.45 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 38.57 3fko h TYR 307 CO 0.00 0.02 0.26 1.19 -1.64 0.00 0.00 178.16 177.99 3fko n PHE 308 N -4.49 2.22 -0.30 -3.82 3.72 -0.47 -4.69 117.46 109.63 3fko n PHE 308 Ca -0.03 -1.35 0.06 0.00 -0.05 0.00 0.00 57.45 56.08 3fko n PHE 308 Cb 0.11 -0.67 0.27 0.00 -0.94 0.00 0.00 39.48 38.24 3fko n PHE 308 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fko h ALA 309 N 2.03 1.57 0.00 4.37 0.00 -1.63 0.27 119.26 125.88 3fko h ALA 309 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3fko h ALA 309 Cb 2.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3fko h ALA 309 CO 0.70 0.27 0.00 0.00 0.00 0.00 0.00 179.25 180.22 3fko n GLN 310 N -4.52 0.01 -0.01 0.00 10.64 -1.26 -4.01 117.38 118.23 3fko n GLN 310 Ca 0.15 0.07 -0.01 0.00 -1.83 0.00 0.00 57.00 55.37 3fko n GLN 310 Cb 0.26 -1.51 -0.02 0.00 -0.86 0.00 0.00 30.24 28.12 3fko n GLN 310 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3fko n TYR 311 N -1.52 0.00 -1.69 2.61 4.02 -0.76 -5.05 117.16 114.78 3fko n TYR 311 Ca 0.06 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.50 3fko n TYR 311 Cb 0.30 -0.10 -0.04 0.00 -0.02 0.00 0.00 39.34 39.48 3fko n TYR 311 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 3fko n HIS 312 N -2.14 2.43 -3.30 -0.72 -0.00 0.89 -4.98 115.22 107.40 3fko n HIS 312 Ca -0.03 0.20 -0.08 0.00 0.46 0.00 0.00 57.72 58.26 3fko n HIS 312 Cb 0.56 -2.59 -0.06 0.00 -0.12 0.00 0.00 29.99 27.79 3fko n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3fko s ASP 313 N 0.98 0.29 0.00 0.26 -1.08 -1.26 -4.98 116.67 110.88 3fko s ASP 313 Ca 0.77 -0.33 0.08 0.00 -0.52 0.00 0.00 52.55 52.56 3fko s ASP 313 Cb -0.62 1.15 0.35 0.00 -1.46 0.00 0.00 42.92 42.34 3fko s ASP 313 CO 0.36 -0.35 1.26 -0.81 0.52 0.00 0.00 175.17 176.15 3fko n PRO 314 N 5.36 0.01 0.00 4.34 -0.04 -1.26 -0.49 135.00 142.91 3fko n PRO 314 Ca 0.01 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 63.94 3fko n PRO 314 Cb 0.50 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.66 3fko n PRO 314 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3fko n ASP 315 N -1.49 1.43 -1.41 3.54 10.43 -1.26 -4.19 116.55 123.60 3fko n ASP 315 Ca 0.02 -1.14 -0.05 0.00 2.57 0.00 0.00 54.79 56.19 3fko n ASP 315 Cb 0.09 0.30 0.11 0.00 1.84 0.00 0.00 41.12 43.46 3fko n ASP 315 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3fko n ASP 316 N -0.43 2.73 -3.45 -2.24 4.64 0.35 -4.84 116.55 113.32 3fko n ASP 316 Ca 0.11 -3.45 -0.26 0.00 -1.38 0.00 0.00 54.79 49.80 3fko n ASP 316 Cb 0.40 -0.43 -0.09 0.00 -1.04 0.00 0.00 41.12 39.95 3fko n ASP 316 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3fko n GLU 317 N -0.74 1.06 -1.36 -0.67 1.02 -1.17 -4.90 120.64 113.88 3fko n GLU 317 Ca 0.25 -3.71 -0.31 0.00 -0.02 0.00 0.00 57.16 53.37 3fko n GLU 317 Cb 0.85 -1.77 0.09 0.00 -0.02 0.00 0.00 31.44 30.59 3fko n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3fko s PRO 318 N -1.02 2.30 0.35 3.49 0.04 -1.26 -4.98 135.00 133.92 3fko s PRO 318 Ca 0.33 1.02 0.08 0.00 0.04 0.00 0.00 61.00 62.47 3fko s PRO 318 Cb 0.08 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 3fko s PRO 318 CO -0.14 -1.57 0.25 0.14 0.04 0.00 0.00 177.00 175.73 3fko s VAL 319 N -2.97 3.24 0.25 -0.36 -7.23 -1.26 -4.18 120.40 107.89 3fko s VAL 319 Ca 0.61 -1.47 -0.06 0.00 -1.81 0.00 0.00 61.98 59.24 3fko s VAL 319 Cb -0.16 -3.10 -0.06 0.00 0.56 0.00 0.00 36.38 33.63 3fko s VAL 319 CO 0.56 -0.15 0.52 0.00 -0.31 0.00 0.00 175.10 175.72 3fko s ALA 320 N -2.37 3.63 0.80 1.32 0.00 -1.25 -5.02 121.76 118.86 3fko s ALA 320 Ca 0.41 -0.47 -0.13 0.00 0.00 0.00 0.00 51.96 51.76 3fko s ALA 320 Cb -0.04 -2.31 0.08 0.00 0.00 0.00 0.00 23.12 20.84 3fko s ALA 320 CO 0.25 0.39 1.20 -0.51 0.00 0.00 0.00 175.76 177.09 3fko s ASP 321 N -2.80 3.72 0.46 0.00 -0.00 -1.26 -4.66 116.67 112.13 3fko s ASP 321 Ca 0.44 2.33 -0.25 0.00 -0.00 0.00 0.00 52.55 55.07 3fko s ASP 321 Cb -0.11 -2.58 -0.08 0.00 -0.00 0.00 0.00 42.92 40.15 3fko s ASP 321 CO 0.26 -2.58 1.41 -2.65 -0.00 0.00 0.00 175.17 171.61 3fko n PRO 322 N -3.25 2.13 -3.94 8.23 -0.02 -1.26 -4.64 135.00 132.25 3fko n PRO 322 Ca 0.13 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 62.03 3fko n PRO 322 Cb 0.51 -2.60 -0.14 0.00 -0.02 0.00 0.00 33.50 31.25 3fko n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3fko s TYR 323 N -1.21 3.35 -0.51 6.00 5.04 -1.25 -5.07 117.35 123.70 3fko s TYR 323 Ca 0.63 -2.14 -0.28 0.00 -2.44 0.00 0.00 57.07 52.84 3fko s TYR 323 Cb -0.45 -2.28 0.01 0.00 0.35 0.00 0.00 41.96 39.59 3fko s TYR 323 CO 0.56 -0.85 1.40 0.34 -1.34 0.00 0.00 175.55 175.66 3fko s ASP 324 N 1.26 6.22 -0.28 4.32 3.68 -1.26 -4.85 116.67 125.75 3fko s ASP 324 Ca -0.03 0.47 0.10 0.00 2.13 0.00 0.00 52.55 55.22 3fko s ASP 324 Cb -0.20 -2.54 0.52 0.00 -1.45 0.00 0.00 42.92 39.24 3fko s ASP 324 CO -0.03 -1.60 1.48 0.00 0.13 0.00 0.00 175.17 175.16 3fko n GLN 325 N 8.43 2.04 0.19 4.34 10.64 -1.26 -4.69 117.38 137.06 3fko n GLN 325 Ca 0.14 -3.12 0.12 0.00 -1.83 0.00 0.00 57.00 52.31 3fko n GLN 325 Cb 0.49 -1.84 0.68 0.00 -0.86 0.00 0.00 30.24 28.71 3fko n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3fko h SER 326 N 1.13 0.00 -0.29 2.61 4.64 -2.03 -1.96 113.55 117.65 3fko h SER 326 Ca 0.21 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.61 3fko h SER 326 Cb 1.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.77 3fko h SER 326 CO 0.40 0.00 0.29 2.19 -0.87 0.00 0.00 176.83 178.84 3fko h PHE 327 N 0.00 0.00 -0.32 4.77 -5.15 -1.97 -1.96 116.94 112.31 3fko h PHE 327 Ca 0.07 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 57.87 3fko h PHE 327 Cb 0.30 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.45 3fko h PHE 327 CO 0.00 0.00 0.21 0.93 -2.00 0.00 0.00 178.31 177.45 3fko h GLU 328 N 0.00 0.33 -0.02 6.09 4.39 -1.74 -1.24 114.58 122.38 3fko h GLU 328 Ca 0.14 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3fko h GLU 328 Cb 0.72 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3fko h GLU 328 CO -0.00 0.22 0.00 -1.13 -1.16 0.00 0.00 179.01 176.94 3fko n SER 329 N -4.49 0.89 -4.80 1.42 3.41 -0.74 -4.91 113.62 104.40 3fko n SER 329 Ca 0.03 -1.33 -0.37 0.00 -0.26 0.00 0.00 58.87 56.94 3fko n SER 329 Cb 0.14 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 3fko n SER 329 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3fko s ARG 330 N -1.99 3.95 -0.51 4.33 3.52 -0.47 -5.06 118.95 122.72 3fko s ARG 330 Ca 0.41 0.19 -0.10 0.00 -0.13 0.00 0.00 55.73 56.09 3fko s ARG 330 Cb 0.21 -3.29 0.13 0.00 -1.56 0.00 0.00 34.95 30.43 3fko s ARG 330 CO 0.34 0.53 0.40 -0.51 -0.81 0.00 0.00 175.30 175.24 3fko s ASP 331 N -0.46 5.81 0.34 -2.12 1.01 -1.26 -5.05 116.67 114.94 3fko s ASP 331 Ca 0.19 -2.00 0.09 0.00 0.71 0.00 0.00 52.55 51.54 3fko s ASP 331 Cb -0.14 -2.04 -0.05 0.00 1.01 0.00 0.00 42.92 41.69 3fko s ASP 331 CO 0.08 -0.69 0.05 -0.76 0.21 0.00 0.00 175.17 174.05 3fko s LEU 332 N 1.24 3.05 0.68 1.23 1.43 -1.26 -5.14 118.68 119.91 3fko s LEU 332 Ca 0.07 -0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 52.11 3fko s LEU 332 Cb -0.25 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.54 3fko s LEU 332 CO -0.01 -0.26 1.06 -0.76 0.23 0.00 0.00 176.35 176.61 3fko s LEU 333 N -3.75 2.97 0.16 1.79 1.43 -1.26 -4.89 118.68 115.13 3fko s LEU 333 Ca 0.36 1.09 -0.19 0.00 -1.03 0.00 0.00 54.13 54.36 3fko s LEU 333 Cb -0.00 -3.91 0.06 0.00 0.03 0.00 0.00 46.19 42.36 3fko s LEU 333 CO 0.20 -1.27 1.66 0.40 0.23 0.00 0.00 176.35 177.58 3fko h ILE 334 N -0.56 0.58 0.00 -0.59 2.04 -1.92 -1.51 117.51 115.55 3fko h ILE 334 Ca -0.45 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3fko h ILE 334 Cb 1.25 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3fko h ILE 334 CO 0.63 0.00 -0.07 0.44 0.00 0.00 0.00 178.15 179.15 3fko h ASP 335 N -0.07 0.00 0.10 1.72 3.45 -1.96 -0.44 116.42 119.22 3fko h ASP 335 Ca 0.16 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.42 3fko h ASP 335 Cb 0.31 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.11 3fko h ASP 335 CO -0.37 0.07 -0.85 -0.33 -1.57 0.00 0.00 179.24 176.19 3fko h GLU 336 N 0.00 0.40 -0.50 3.56 5.08 -1.68 -2.01 114.58 119.43 3fko h GLU 336 Ca -0.00 -0.57 -0.06 0.00 -1.00 0.00 0.00 59.36 57.73 3fko h GLU 336 Cb 0.36 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3fko h GLU 336 CO 0.01 1.23 0.05 -1.49 -1.00 0.00 0.00 179.01 177.82 3fko h TRP 337 N -0.16 0.83 -0.46 4.33 -0.00 -1.02 -2.10 115.95 117.38 3fko h TRP 337 Ca -0.14 -0.10 -0.04 0.00 -0.00 0.00 0.00 58.89 58.62 3fko h TRP 337 Cb 1.61 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.16 30.52 3fko h TRP 337 CO 0.16 0.74 0.13 -0.22 -0.00 0.00 0.00 178.44 179.26 3fko h LYS 338 N 0.75 0.72 -0.62 0.49 3.64 -1.14 -0.63 116.57 119.77 3fko h LYS 338 Ca 0.16 -0.16 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3fko h LYS 338 Cb 0.38 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3fko h LYS 338 CO 0.01 0.69 0.03 1.03 -2.27 0.00 0.00 179.45 178.94 3fko h SER 339 N 0.60 1.05 -0.37 4.20 0.87 -1.25 -0.27 113.55 118.39 3fko h SER 339 Ca 0.15 -0.29 -0.04 0.00 -1.23 0.00 0.00 61.79 60.37 3fko h SER 339 Cb 0.28 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3fko h SER 339 CO -0.00 1.08 0.09 -0.07 -0.53 0.00 0.00 176.83 177.40 3fko h LEU 340 N 0.98 0.57 -0.30 2.23 3.38 -1.31 -1.28 115.31 119.58 3fko h LEU 340 Ca 0.18 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3fko h LEU 340 Cb 0.53 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3fko h LEU 340 CO 0.03 0.65 0.08 0.74 0.09 0.00 0.00 178.44 180.03 3fko h THR 341 N 0.45 0.89 -0.36 0.22 2.02 -0.98 -2.33 112.91 112.82 3fko h THR 341 Ca 0.12 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.25 3fko h THR 341 Cb 0.31 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3fko h THR 341 CO 0.00 0.04 0.18 0.22 0.37 0.00 0.00 175.52 176.33 3fko h TYR 342 N 0.20 0.33 -0.75 3.16 5.03 -0.90 -1.42 116.97 122.62 3fko h TYR 342 Ca 0.13 0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.58 3fko h TYR 342 Cb 0.12 -0.10 -0.08 0.00 1.55 0.00 0.00 36.73 38.22 3fko h TYR 342 CO -0.15 0.17 0.34 -0.44 -1.32 0.00 0.00 178.16 176.77 3fko h ASP 343 N 0.37 0.39 -0.13 -2.11 3.32 -1.08 -1.10 116.42 116.08 3fko h ASP 343 Ca 0.15 0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.19 3fko h ASP 343 Cb 0.06 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3fko h ASP 343 CO -0.11 0.19 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.06 3fko h GLU 344 N 0.54 0.56 0.08 3.56 4.39 -0.82 -1.01 114.58 121.88 3fko h GLU 344 Ca 0.40 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 3fko h GLU 344 Cb 0.53 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3fko h GLU 344 CO -0.34 0.73 -0.04 0.28 -1.16 0.00 0.00 179.01 178.48 3fko h VAL 345 N 0.50 1.11 -0.13 3.13 2.07 -0.75 -3.06 116.25 119.12 3fko h VAL 345 Ca 0.08 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 3fko h VAL 345 Cb 0.64 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3fko h VAL 345 CO 0.05 0.17 -0.19 0.40 0.02 0.00 0.00 177.57 178.02 3fko h ILE 346 N -0.42 1.20 -0.01 4.57 1.08 -1.12 -2.86 117.51 119.95 3fko h ILE 346 Ca -0.01 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.54 3fko h ILE 346 Cb 0.36 1.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 3fko h ILE 346 CO 0.02 0.28 -0.08 -1.54 -0.69 0.00 0.00 178.15 176.14 3fko n SER 347 N -4.23 1.13 -4.73 1.72 3.41 -0.39 -4.93 113.62 105.60 3fko n SER 347 Ca -0.01 -1.19 -0.42 0.00 -0.26 0.00 0.00 58.87 56.99 3fko n SER 347 Cb 0.31 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 3fko n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3fko s PHE 348 N -2.19 2.95 -0.19 7.33 2.19 -1.08 -5.01 117.98 121.98 3fko s PHE 348 Ca 0.34 0.57 -0.01 0.00 0.33 0.00 0.00 56.93 58.16 3fko s PHE 348 Cb 0.21 -4.02 0.00 0.00 -1.31 0.00 0.00 43.02 37.89 3fko s PHE 348 CO 0.40 -3.74 -0.12 0.08 1.83 0.00 0.00 175.22 173.67 3fko s VAL 349 N 0.88 2.76 0.65 3.12 1.01 -1.26 -5.06 120.40 122.50 3fko s VAL 349 Ca 0.70 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 3fko s VAL 349 Cb -0.47 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 3fko s VAL 349 CO 0.35 0.49 1.25 -0.81 0.00 0.00 0.00 175.10 176.38 3fko n PRO 350 N 4.56 1.07 -1.56 2.72 -0.04 -1.26 -5.00 135.00 135.49 3fko n PRO 350 Ca -0.19 0.42 -0.33 0.00 -0.04 0.00 0.00 63.50 63.36 3fko n PRO 350 Cb 0.51 -2.49 0.07 0.00 -0.04 0.00 0.00 33.50 31.55 3fko n PRO 350 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3fko s PRO 351 N -3.31 2.48 0.00 0.54 0.04 -1.26 -5.15 135.00 128.34 3fko s PRO 351 Ca 0.82 1.45 0.28 0.00 0.04 0.00 0.00 61.00 63.58 3fko s PRO 351 Cb -0.38 -1.91 0.96 0.00 0.04 0.00 0.00 34.50 33.21 3fko s PRO 351 CO 0.41 -1.51 1.69 -0.35 0.04 0.00 0.00 177.00 177.28