#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kf3 h SER 28 N 0.00 0.00 -3.56 1.45 0.02 -2.05 -3.45 113.55 105.97 3kf3 h SER 28 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 3kf3 h SER 28 Cb 0.00 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.39 3kf3 h SER 28 CO 0.00 0.68 -0.52 -0.69 -1.14 0.00 0.00 176.83 175.16 3kf3 s VAL 29 N -2.86 5.21 -0.18 2.27 1.01 -1.26 -5.07 120.40 119.52 3kf3 s VAL 29 Ca 0.02 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 3kf3 s VAL 29 Cb 0.08 -3.42 0.05 0.00 0.00 0.00 0.00 36.38 33.09 3kf3 s VAL 29 CO 0.78 0.36 -0.05 -0.62 0.00 0.00 0.00 175.10 175.57 3kf3 s ASP 30 N 1.03 3.10 0.00 3.32 3.68 -1.26 -4.02 116.67 122.51 3kf3 s ASP 30 Ca 0.07 -0.80 0.28 0.00 2.13 0.00 0.00 52.55 54.22 3kf3 s ASP 30 Cb -0.14 -0.98 0.97 0.00 -1.45 0.00 0.00 42.92 41.33 3kf3 s ASP 30 CO 0.04 -0.20 1.70 0.35 0.13 0.00 0.00 175.17 177.19 3kf3 n THR 31 N 4.83 0.00 -0.25 1.71 -2.24 -0.27 -4.60 114.28 113.46 3kf3 n THR 31 Ca -0.12 -0.25 0.05 0.00 -2.27 0.00 0.00 64.05 61.45 3kf3 n THR 31 Cb 0.47 0.54 0.15 0.00 -2.10 0.00 0.00 70.33 69.40 3kf3 n THR 31 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3kf3 h SER 32 N 2.36 -0.27 -0.64 3.42 0.02 -1.93 0.81 113.55 117.32 3kf3 h SER 32 Ca 0.00 0.18 0.17 0.00 -0.84 0.00 0.00 61.79 61.30 3kf3 h SER 32 Cb 0.53 0.31 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 3kf3 h SER 32 CO 0.00 -0.15 0.46 -0.08 -1.14 0.00 0.00 176.83 175.92 3kf3 h GLU 33 N 0.13 0.08 0.00 3.45 4.57 -1.92 -1.08 114.58 119.82 3kf3 h GLU 33 Ca 0.40 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 3kf3 h GLU 33 Cb 0.69 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 3kf3 h GLU 33 CO -0.61 0.05 -0.86 2.48 -1.18 0.00 0.00 179.01 178.88 3kf3 n TYR 34 N -4.38 0.00 0.00 0.92 0.18 -0.75 -4.85 117.16 108.28 3kf3 n TYR 34 Ca 0.12 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.92 3kf3 n TYR 34 Cb 0.66 -0.07 -0.03 0.00 -0.38 0.00 0.00 39.34 39.52 3kf3 n TYR 34 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 3kf3 n ASN 35 N -1.47 4.02 -4.62 9.48 3.02 0.21 -4.56 115.26 121.34 3kf3 n ASN 35 Ca -0.00 -0.01 -0.40 0.00 -0.03 0.00 0.00 54.58 54.14 3kf3 n ASN 35 Cb 0.10 1.18 -0.07 0.00 -0.61 0.00 0.00 39.78 40.38 3kf3 n ASN 35 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3kf3 s ARG 36 N -2.27 4.07 0.68 3.52 6.06 -0.44 -4.28 118.95 126.29 3kf3 s ARG 36 Ca -0.01 0.40 -0.17 0.00 -2.50 0.00 0.00 55.73 53.44 3kf3 s ARG 36 Cb 0.03 -3.66 -0.01 0.00 0.06 0.00 0.00 34.95 31.37 3kf3 s ARG 36 CO 0.17 -0.38 1.11 -2.30 -2.50 0.00 0.00 175.30 171.39 3kf3 n PRO 37 N 5.62 0.79 -0.02 5.12 -0.02 -1.26 -4.83 135.00 140.40 3kf3 n PRO 37 Ca -0.03 0.33 -0.18 0.00 -2.02 0.00 0.00 63.50 61.60 3kf3 n PRO 37 Cb 0.49 -2.34 -0.14 0.00 -0.02 0.00 0.00 33.50 31.49 3kf3 n PRO 37 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kf3 n LEU 38 N -1.70 2.22 0.00 2.45 4.77 -1.26 -4.60 117.00 118.88 3kf3 n LEU 38 Ca 0.14 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3kf3 n LEU 38 Cb 0.49 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3kf3 n LEU 38 CO 0.48 0.76 0.43 2.30 -1.33 0.00 0.00 177.39 180.02 3kf3 n ILE 39 N -3.34 0.73 -4.01 -0.08 -5.35 -1.26 -4.85 119.36 101.20 3kf3 n ILE 39 Ca -0.31 -0.80 -0.35 0.00 -0.27 0.00 0.00 62.75 61.03 3kf3 n ILE 39 Cb 1.05 0.66 -0.09 0.00 -1.74 0.00 0.00 39.64 39.52 3kf3 n ILE 39 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3kf3 s HIS 40 N -0.73 3.33 0.29 4.28 3.76 -1.26 -4.73 115.29 120.22 3kf3 s HIS 40 Ca 0.00 0.22 -0.29 0.00 -0.15 0.00 0.00 55.06 54.83 3kf3 s HIS 40 Cb 0.00 -2.01 -0.10 0.00 1.11 0.00 0.00 32.58 31.58 3kf3 s HIS 40 CO 0.00 0.35 1.41 0.12 -0.85 0.00 0.00 174.74 175.77 3kf3 s PHE 41 N -0.14 2.97 -0.01 1.40 5.36 -1.26 -4.75 117.98 121.55 3kf3 s PHE 41 Ca 0.08 1.14 -0.00 0.00 -0.96 0.00 0.00 56.93 57.19 3kf3 s PHE 41 Cb -0.12 -3.81 0.01 0.00 -0.34 0.00 0.00 43.02 38.76 3kf3 s PHE 41 CO 0.01 -2.51 0.02 0.99 -1.46 0.00 0.00 175.22 172.27 3kf3 s THR 42 N -0.44 -0.02 0.42 0.12 2.01 -1.26 -2.19 115.64 114.28 3kf3 s THR 42 Ca 0.56 0.08 -0.26 0.00 0.31 0.00 0.00 61.69 62.38 3kf3 s THR 42 Cb -0.42 -0.04 -0.08 0.00 0.01 0.00 0.00 72.50 71.96 3kf3 s THR 42 CO 0.48 0.03 1.35 -2.16 -0.69 0.00 0.00 174.62 173.63 3kf3 s PRO 43 N 0.39 3.86 0.25 4.92 0.04 -1.26 -4.91 135.00 138.28 3kf3 s PRO 43 Ca -0.03 2.25 -0.04 0.00 0.04 0.00 0.00 61.00 63.22 3kf3 s PRO 43 Cb -0.05 -2.71 0.46 0.00 0.04 0.00 0.00 34.50 32.24 3kf3 s PRO 43 CO -0.01 -0.62 1.74 1.49 0.04 0.00 0.00 177.00 179.65 3kf3 h GLU 44 N 2.53 0.50 -3.84 4.56 4.81 -2.00 -3.44 114.58 117.71 3kf3 h GLU 44 Ca -0.50 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 58.55 3kf3 h GLU 44 Cb 1.25 -0.11 -0.20 0.00 0.63 0.00 0.00 28.75 30.32 3kf3 h GLU 44 CO 0.62 0.33 -0.61 -1.59 -0.73 0.00 0.00 179.01 177.03 3kf3 s LYS 45 N -6.01 0.43 0.78 1.92 -2.85 -1.26 -4.51 119.74 108.24 3kf3 s LYS 45 Ca -0.12 -0.63 0.00 0.00 -1.00 0.00 0.00 55.97 54.22 3kf3 s LYS 45 Cb 0.20 0.17 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 3kf3 s LYS 45 CO 0.77 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 176.54 3kf3 n GLY 46 N 1.29 -1.75 3.54 0.59 0.00 0.40 -4.80 105.19 104.47 3kf3 n GLY 46 Ca -0.22 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 3kf3 n GLY 46 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kf3 s TRP 47 N 0.00 2.93 -0.03 1.61 -0.11 -0.18 -1.40 118.94 121.76 3kf3 s TRP 47 Ca 0.00 -0.11 0.04 0.00 1.22 0.00 0.00 56.10 57.26 3kf3 s TRP 47 Cb 0.00 -1.76 -0.01 0.00 -1.50 0.00 0.00 33.47 30.20 3kf3 s TRP 47 CO 0.00 0.21 -0.16 1.41 -4.62 0.00 0.00 176.95 173.79 3kf3 s MET 48 N -0.48 1.45 0.00 5.86 1.75 -1.05 -1.58 119.30 125.25 3kf3 s MET 48 Ca 0.07 -0.55 0.00 0.00 -1.25 0.00 0.00 55.69 53.96 3kf3 s MET 48 Cb -0.12 -1.33 0.00 0.00 2.84 0.00 0.00 34.83 36.22 3kf3 s MET 48 CO 0.02 0.28 0.00 0.27 -0.65 0.00 0.00 175.02 174.94 3kf3 n ASN 49 N 2.94 0.00 -4.57 1.11 6.94 -0.57 -4.65 115.26 116.46 3kf3 n ASN 49 Ca -0.16 0.00 -0.49 0.00 -0.02 0.00 0.00 54.58 53.91 3kf3 n ASN 49 Cb 0.54 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.92 3kf3 n ASN 49 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3kf3 n ASP 50 N 0.00 1.16 -4.77 0.53 9.92 -1.26 -4.42 116.55 117.71 3kf3 n ASP 50 Ca 0.00 1.14 -0.39 0.00 -0.53 0.00 0.00 54.79 55.02 3kf3 n ASP 50 Cb 0.00 -1.19 -0.03 0.00 -0.64 0.00 0.00 41.12 39.26 3kf3 n ASP 50 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3kf3 s PRO 51 N -0.44 4.26 0.10 -0.24 0.04 -1.26 -0.96 135.00 136.50 3kf3 s PRO 51 Ca 0.73 1.77 0.03 0.00 0.04 0.00 0.00 61.00 63.56 3kf3 s PRO 51 Cb -0.87 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 3kf3 s PRO 51 CO 0.53 -0.12 -0.08 -0.80 0.04 0.00 0.00 177.00 176.57 3kf3 s ASN 52 N -1.14 1.29 -1.43 6.66 0.01 0.20 -4.82 114.94 115.71 3kf3 s ASN 52 Ca 0.53 -0.91 -0.02 0.00 -0.71 0.00 0.00 52.86 51.75 3kf3 s ASN 52 Cb -0.29 0.05 0.01 0.00 0.41 0.00 0.00 41.25 41.43 3kf3 s ASN 52 CO 0.37 -0.37 0.15 0.61 -1.51 0.00 0.00 177.10 176.35 3kf3 n GLY 53 N 0.23 -0.50 3.68 0.66 0.00 -0.68 -1.39 105.19 107.19 3kf3 n GLY 53 Ca -0.14 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3kf3 n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kf3 s LEU 54 N -6.03 4.39 0.10 0.99 1.43 -1.26 -4.39 118.68 113.89 3kf3 s LEU 54 Ca 0.09 2.61 -0.25 0.00 -1.03 0.00 0.00 54.13 55.54 3kf3 s LEU 54 Cb -0.04 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.69 3kf3 s LEU 54 CO 0.11 -0.96 0.62 0.72 0.23 0.00 0.00 176.35 177.07 3kf3 s PHE 55 N 3.04 -0.57 -0.19 0.29 -0.12 -1.18 -1.36 117.98 117.89 3kf3 s PHE 55 Ca 0.79 0.56 -0.08 0.00 -0.05 0.00 0.00 56.93 58.14 3kf3 s PHE 55 Cb -0.42 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 3kf3 s PHE 55 CO 0.35 -0.78 0.08 -0.47 -0.05 0.00 0.00 175.22 174.36 3kf3 s TYR 56 N -3.00 3.30 -0.51 3.49 5.04 -0.51 -0.58 117.35 124.58 3kf3 s TYR 56 Ca -0.03 0.16 -0.22 0.00 -2.44 0.00 0.00 57.07 54.54 3kf3 s TYR 56 Cb -0.01 -2.10 0.04 0.00 0.35 0.00 0.00 41.96 40.25 3kf3 s TYR 56 CO -0.06 0.20 0.77 0.34 -1.34 0.00 0.00 175.55 175.46 3kf3 s ASP 57 N 0.35 6.30 0.40 4.32 -1.08 0.52 -4.74 116.67 122.74 3kf3 s ASP 57 Ca 0.05 -0.54 0.14 0.00 -0.52 0.00 0.00 52.55 51.68 3kf3 s ASP 57 Cb -0.12 -2.36 0.84 0.00 -1.46 0.00 0.00 42.92 39.82 3kf3 s ASP 57 CO -0.01 -1.02 1.88 0.11 0.52 0.00 0.00 175.17 176.66 3kf3 h LYS 58 N 9.11 0.00 0.06 4.34 1.57 -1.87 0.17 116.57 129.95 3kf3 h LYS 58 Ca -0.26 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.36 3kf3 h LYS 58 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 3kf3 h LYS 58 CO 1.01 0.31 -0.77 1.79 -0.57 0.00 0.00 179.45 181.22 3kf3 h THR 59 N 0.00 1.38 0.00 -0.16 1.35 -1.92 -3.33 112.91 110.23 3kf3 h THR 59 Ca -0.00 -2.37 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 3kf3 h THR 59 Cb 0.56 2.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.94 3kf3 h THR 59 CO 0.04 0.60 0.00 0.00 -0.25 0.00 0.00 175.52 175.91 3kf3 n ALA 60 N -2.87 2.07 -3.43 6.62 0.00 -1.23 -4.94 120.51 116.73 3kf3 n ALA 60 Ca -0.19 -0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.07 3kf3 n ALA 60 Cb 0.70 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.79 3kf3 n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kf3 n LYS 61 N -2.12 -5.17 -4.17 0.00 4.01 0.55 -5.02 118.16 106.23 3kf3 n LYS 61 Ca 0.05 0.81 -0.19 0.00 -0.51 0.00 0.00 58.31 58.47 3kf3 n LYS 61 Cb 0.35 -5.71 -0.16 0.00 -0.51 0.00 0.00 35.03 28.99 3kf3 n LYS 61 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3kf3 s LEU 62 N -6.17 1.55 -0.03 -0.35 2.96 -0.91 -4.71 118.68 111.02 3kf3 s LEU 62 Ca 0.13 -0.12 -0.25 0.00 -0.22 0.00 0.00 54.13 53.67 3kf3 s LEU 62 Cb -0.02 -0.39 -0.04 0.00 0.50 0.00 0.00 46.19 46.24 3kf3 s LEU 62 CO 0.75 -0.01 0.77 0.26 -1.32 0.00 0.00 176.35 176.80 3kf3 s TRP 63 N 0.55 3.62 -0.11 5.38 0.52 0.42 -0.36 118.94 128.96 3kf3 s TRP 63 Ca -0.07 1.39 -0.01 0.00 0.02 0.00 0.00 56.10 57.43 3kf3 s TRP 63 Cb -0.10 -2.88 -0.03 0.00 -1.15 0.00 0.00 33.47 29.31 3kf3 s TRP 63 CO -0.00 0.10 -0.06 -1.01 0.02 0.00 0.00 176.95 176.00 3kf3 s HIS 64 N 0.70 2.96 -0.14 -1.98 3.76 0.25 -1.21 115.29 119.64 3kf3 s HIS 64 Ca 0.41 -0.19 0.01 0.00 -0.15 0.00 0.00 55.06 55.15 3kf3 s HIS 64 Cb -0.19 -1.83 0.02 0.00 1.11 0.00 0.00 32.58 31.69 3kf3 s HIS 64 CO 0.21 0.12 -0.16 -1.17 -0.85 0.00 0.00 174.74 172.89 3kf3 s LEU 65 N -0.19 1.81 0.38 0.89 2.96 0.59 -3.08 118.68 122.04 3kf3 s LEU 65 Ca 0.03 -0.51 0.08 0.00 -0.22 0.00 0.00 54.13 53.51 3kf3 s LEU 65 Cb -0.13 -1.23 -0.05 0.00 0.50 0.00 0.00 46.19 45.29 3kf3 s LEU 65 CO 0.03 -0.01 0.16 -0.31 -1.32 0.00 0.00 176.35 174.90 3kf3 s TYR 66 N 1.21 2.64 -0.14 5.38 1.51 -0.49 -0.11 117.35 127.36 3kf3 s TYR 66 Ca -0.00 -0.49 -0.29 0.00 -1.01 0.00 0.00 57.07 55.27 3kf3 s TYR 66 Cb -0.14 -1.81 0.10 0.00 -0.11 0.00 0.00 41.96 40.00 3kf3 s TYR 66 CO -0.07 0.25 0.85 -0.59 -1.11 0.00 0.00 175.55 174.88 3kf3 s PHE 67 N -2.52 -0.54 0.12 2.71 -0.12 -0.97 0.61 117.98 117.27 3kf3 s PHE 67 Ca 0.40 1.01 -0.31 0.00 -0.05 0.00 0.00 56.93 57.98 3kf3 s PHE 67 Cb 0.01 0.41 -0.11 0.00 -0.63 0.00 0.00 43.02 42.70 3kf3 s PHE 67 CO 0.23 -0.44 1.84 1.04 -0.05 0.00 0.00 175.22 177.84 3kf3 n GLN 68 N 1.16 2.79 -3.74 1.99 1.13 -0.14 -0.23 117.38 120.34 3kf3 n GLN 68 Ca -0.14 1.02 -0.15 0.00 -1.94 0.00 0.00 57.00 55.78 3kf3 n GLN 68 Cb 0.57 -2.91 -0.16 0.00 0.11 0.00 0.00 30.24 27.85 3kf3 n GLN 68 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3kf3 s TYR 69 N 2.79 -0.04 -0.33 1.08 5.04 0.23 -1.51 117.35 124.60 3kf3 s TYR 69 Ca 0.82 0.30 0.03 0.00 -2.44 0.00 0.00 57.07 55.78 3kf3 s TYR 69 Cb -0.48 -0.23 0.09 0.00 0.35 0.00 0.00 41.96 41.69 3kf3 s TYR 69 CO 0.38 -0.15 0.03 1.21 -1.34 0.00 0.00 175.55 175.68 3kf3 s ASN 70 N 1.39 4.76 0.19 4.32 2.47 -0.61 -0.83 114.94 126.63 3kf3 s ASN 70 Ca -0.06 -1.95 0.21 0.00 0.42 0.00 0.00 52.86 51.49 3kf3 s ASN 70 Cb -0.12 -1.64 0.89 0.00 -1.45 0.00 0.00 41.25 38.93 3kf3 s ASN 70 CO -0.04 -0.35 1.65 -0.81 -3.72 0.00 0.00 177.10 173.83 3kf3 n PRO 71 N 4.34 0.15 0.00 0.43 -0.04 -1.26 -1.01 135.00 137.61 3kf3 n PRO 71 Ca -0.01 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 63.94 3kf3 n PRO 71 Cb 0.42 -1.78 -0.01 0.00 -0.04 0.00 0.00 33.50 32.09 3kf3 n PRO 71 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kf3 n ASN 72 N -2.06 0.76 -3.81 3.54 3.02 -1.26 -4.50 115.26 110.95 3kf3 n ASN 72 Ca 0.02 -0.63 -0.10 0.00 -0.03 0.00 0.00 54.58 53.85 3kf3 n ASN 72 Cb 0.21 0.83 -0.05 0.00 -0.61 0.00 0.00 39.78 40.16 3kf3 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kf3 s ALA 73 N -3.06 -0.53 -0.29 5.41 0.00 -1.25 -5.02 121.76 117.02 3kf3 s ALA 73 Ca 0.07 -0.46 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 3kf3 s ALA 73 Cb 0.16 0.78 0.26 0.00 0.00 0.00 0.00 23.12 24.31 3kf3 s ALA 73 CO 0.82 -0.68 1.83 -2.37 0.00 0.00 0.00 175.76 175.36 3kf3 n THR 74 N -0.24 2.57 -3.69 0.00 5.66 -1.26 -1.79 114.28 115.53 3kf3 n THR 74 Ca -0.11 -1.45 -0.10 0.00 -3.05 0.00 0.00 64.05 59.34 3kf3 n THR 74 Cb 0.63 -1.14 -0.05 0.00 -1.55 0.00 0.00 70.33 68.22 3kf3 n THR 74 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kf3 s ALA 75 N -1.80 -0.84 0.35 1.79 0.00 -1.26 -4.76 121.76 115.24 3kf3 s ALA 75 Ca 0.31 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 3kf3 s ALA 75 Cb 0.25 0.75 -0.11 0.00 0.00 0.00 0.00 23.12 24.01 3kf3 s ALA 75 CO 0.01 -0.69 1.49 -0.46 0.00 0.00 0.00 175.76 176.12 3kf3 s TRP 76 N -3.84 2.67 -0.13 0.00 -0.00 -1.26 -4.73 118.94 111.65 3kf3 s TRP 76 Ca 0.06 1.11 -0.32 0.00 -0.00 0.00 0.00 56.10 56.95 3kf3 s TRP 76 Cb 0.01 -4.00 0.13 0.00 -0.00 0.00 0.00 33.47 29.61 3kf3 s TRP 76 CO -0.08 -3.01 1.07 0.20 -0.00 0.00 0.00 176.95 175.12 3kf3 s GLY 77 N -0.03 -0.32 0.53 5.86 0.00 -1.26 -5.09 107.32 107.01 3kf3 s GLY 77 Ca 0.55 1.56 -0.15 0.00 0.00 0.00 0.00 44.72 46.67 3kf3 s GLY 77 CO 0.59 0.59 0.99 1.20 0.00 0.00 0.00 173.10 176.47 3kf3 s GLN 78 N -2.33 3.88 -0.01 2.90 -0.21 -1.26 -3.78 119.66 118.84 3kf3 s GLN 78 Ca 0.06 0.91 -0.00 0.00 0.02 0.00 0.00 55.36 56.35 3kf3 s GLN 78 Cb -0.01 -2.13 -0.00 0.00 1.00 0.00 0.00 33.01 31.87 3kf3 s GLN 78 CO -0.05 -0.32 0.03 -2.30 -2.12 0.00 0.00 175.29 170.52 3kf3 n PRO 79 N -1.80 0.00 -3.60 2.91 -0.02 -1.21 -5.03 135.00 126.25 3kf3 n PRO 79 Ca 0.06 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.17 3kf3 n PRO 79 Cb 0.54 -0.01 -0.07 0.00 -0.02 0.00 0.00 33.50 33.94 3kf3 n PRO 79 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kf3 s LEU 80 N 0.04 4.34 0.31 2.45 2.96 -1.17 -4.74 118.68 122.86 3kf3 s LEU 80 Ca 0.02 0.62 0.06 0.00 -0.22 0.00 0.00 54.13 54.61 3kf3 s LEU 80 Cb -0.01 -2.37 -0.06 0.00 0.50 0.00 0.00 46.19 44.25 3kf3 s LEU 80 CO 0.01 0.23 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.93 3kf3 s TYR 81 N -0.28 2.05 -0.39 5.38 1.51 -0.01 -1.51 117.35 124.09 3kf3 s TYR 81 Ca 0.18 -0.75 -0.22 0.00 -1.01 0.00 0.00 57.07 55.26 3kf3 s TYR 81 Cb -0.14 -1.25 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 3kf3 s TYR 81 CO 0.06 0.25 0.75 -1.58 -1.11 0.00 0.00 175.55 173.92 3kf3 s TRP 82 N -3.03 3.08 0.91 2.71 0.52 -0.33 -0.60 118.94 122.20 3kf3 s TRP 82 Ca 0.32 0.35 -0.12 0.00 0.02 0.00 0.00 56.10 56.67 3kf3 s TRP 82 Cb 0.06 -3.43 0.14 0.00 -1.15 0.00 0.00 33.47 29.08 3kf3 s TRP 82 CO 0.14 -0.80 1.13 0.20 0.02 0.00 0.00 176.95 177.63 3kf3 s GLY 83 N 1.94 1.58 -0.14 0.98 0.00 0.67 -1.40 107.32 110.95 3kf3 s GLY 83 Ca 0.29 -0.48 -0.08 0.00 0.00 0.00 0.00 44.72 44.44 3kf3 s GLY 83 CO 0.18 0.07 0.34 -1.58 0.00 0.00 0.00 173.10 172.11 3kf3 s HIS 84 N -3.24 -0.46 -0.00 1.90 2.46 -1.26 -2.29 115.29 112.40 3kf3 s HIS 84 Ca 0.64 1.03 -0.07 0.00 0.47 0.00 0.00 55.06 57.12 3kf3 s HIS 84 Cb -0.15 0.16 0.00 0.00 -0.13 0.00 0.00 32.58 32.46 3kf3 s HIS 84 CO 0.54 -0.27 0.15 0.00 -2.47 0.00 0.00 174.74 172.69 3kf3 s ALA 85 N 1.08 -0.35 0.23 1.58 0.00 0.84 -0.05 121.76 125.09 3kf3 s ALA 85 Ca -0.07 -0.07 0.08 0.00 0.00 0.00 0.00 51.96 51.90 3kf3 s ALA 85 Cb -0.08 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 3kf3 s ALA 85 CO -0.08 -0.20 -0.14 0.95 0.00 0.00 0.00 175.76 176.29 3kf3 s THR 86 N -1.26 1.85 -0.05 0.00 -4.23 -0.43 -0.30 115.64 111.22 3kf3 s THR 86 Ca -0.13 -2.23 -0.15 0.00 -1.18 0.00 0.00 61.69 58.00 3kf3 s THR 86 Cb -0.07 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.62 3kf3 s THR 86 CO 0.02 -0.50 0.33 -0.55 -0.54 0.00 0.00 174.62 173.38 3kf3 s SER 87 N -3.38 -0.25 0.21 3.99 0.15 -0.35 -0.06 113.70 114.01 3kf3 s SER 87 Ca 0.25 0.28 0.23 0.00 0.70 0.00 0.00 55.95 57.41 3kf3 s SER 87 Cb -0.01 0.43 0.12 0.00 -1.71 0.00 0.00 66.02 64.86 3kf3 s SER 87 CO 0.09 -0.36 1.17 -0.55 1.20 0.00 0.00 173.24 174.80 3kf3 h ASN 88 N 4.32 0.00 0.00 5.45 -1.07 -1.84 0.12 115.58 122.56 3kf3 h ASN 88 Ca -0.29 -0.06 0.00 0.00 0.07 0.00 0.00 56.30 56.03 3kf3 h ASN 88 Cb 1.18 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.43 3kf3 h ASN 88 CO 0.37 0.03 0.00 -0.90 0.07 0.00 0.00 177.43 177.00 3kf3 n ASP 89 N -2.58 0.25 -0.28 6.14 5.68 -1.26 -4.83 116.55 119.67 3kf3 n ASP 89 Ca 0.01 -1.08 -0.04 0.00 -0.50 0.00 0.00 54.79 53.19 3kf3 n ASP 89 Cb 0.52 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.48 3kf3 n ASP 89 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3kf3 n LEU 90 N -0.04 0.17 0.00 -2.12 4.77 -1.26 -4.57 117.00 113.94 3kf3 n LEU 90 Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3kf3 n LEU 90 Cb 0.32 -1.79 0.00 0.00 -2.33 0.00 0.00 43.42 39.62 3kf3 n LEU 90 CO 0.00 -0.63 -0.26 1.33 -1.33 0.00 0.00 177.39 176.50 3kf3 n VAL 91 N -2.46 0.00 -3.52 4.08 0.24 -1.26 -4.59 118.33 110.82 3kf3 n VAL 91 Ca -0.04 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.85 3kf3 n VAL 91 Cb 0.34 -0.50 -0.10 0.00 -1.47 0.00 0.00 33.84 32.11 3kf3 n VAL 91 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3kf3 s HIS 92 N -1.52 3.23 -0.10 6.34 3.76 -1.26 -4.59 115.29 121.14 3kf3 s HIS 92 Ca 0.00 -0.35 -0.00 0.00 -0.15 0.00 0.00 55.06 54.56 3kf3 s HIS 92 Cb 0.00 -2.50 -0.03 0.00 1.11 0.00 0.00 32.58 31.17 3kf3 s HIS 92 CO 0.00 -0.43 -0.08 -1.58 -0.85 0.00 0.00 174.74 171.80 3kf3 s TRP 93 N 1.70 2.91 -0.32 1.40 0.52 -1.26 -4.28 118.94 119.61 3kf3 s TRP 93 Ca 0.06 -0.22 -0.08 0.00 0.02 0.00 0.00 56.10 55.88 3kf3 s TRP 93 Cb -0.18 -1.80 0.02 0.00 -1.15 0.00 0.00 33.47 30.36 3kf3 s TRP 93 CO 0.10 0.10 0.11 -0.51 0.02 0.00 0.00 176.95 176.78 3kf3 s ASP 94 N -0.25 5.32 0.09 2.95 1.01 0.92 -4.94 116.67 121.77 3kf3 s ASP 94 Ca 0.03 -0.83 -0.30 0.00 0.71 0.00 0.00 52.55 52.16 3kf3 s ASP 94 Cb -0.13 -1.92 -0.06 0.00 1.01 0.00 0.00 42.92 41.83 3kf3 s ASP 94 CO 0.03 -0.25 1.05 -0.70 0.21 0.00 0.00 175.17 175.51 3kf3 s GLU 95 N 1.50 4.58 0.51 8.23 2.12 -1.26 -1.32 118.70 133.06 3kf3 s GLU 95 Ca 0.02 1.58 0.04 0.00 0.36 0.00 0.00 54.97 56.97 3kf3 s GLU 95 Cb -0.18 -3.36 0.04 0.00 0.26 0.00 0.00 34.13 30.89 3kf3 s GLU 95 CO 0.04 0.02 0.33 0.72 -0.54 0.00 0.00 175.26 175.83 3kf3 n HIS 96 N 3.17 -0.43 -1.68 5.30 8.25 0.92 -4.98 115.22 125.77 3kf3 n HIS 96 Ca 0.05 -2.18 -0.35 0.00 -0.26 0.00 0.00 57.72 54.97 3kf3 n HIS 96 Cb 0.48 -0.40 0.07 0.00 1.12 0.00 0.00 29.99 31.26 3kf3 n HIS 96 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3kf3 s GLU 97 N -4.05 2.50 0.17 -0.41 0.41 -1.26 -4.58 118.70 111.48 3kf3 s GLU 97 Ca 0.25 1.79 -0.33 0.00 -0.41 0.00 0.00 54.97 56.27 3kf3 s GLU 97 Cb -0.02 -1.87 -0.16 0.00 -1.78 0.00 0.00 34.13 30.30 3kf3 s GLU 97 CO 0.16 -1.56 1.22 -0.89 -0.49 0.00 0.00 175.26 173.70 3kf3 n ILE 98 N -2.25 0.76 -0.01 -1.63 5.41 -1.26 -4.39 119.36 115.99 3kf3 n ILE 98 Ca 0.14 -0.19 -0.22 0.00 1.00 0.00 0.00 62.75 63.48 3kf3 n ILE 98 Cb 0.50 -0.92 -0.14 0.00 -0.71 0.00 0.00 39.64 38.37 3kf3 n ILE 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kf3 h ALA 99 N 3.68 0.27 -3.62 -1.39 0.00 -1.45 -3.48 119.26 113.27 3kf3 h ALA 99 Ca -0.44 -1.20 -0.29 0.00 0.00 0.00 0.00 54.91 52.97 3kf3 h ALA 99 Cb 1.33 0.59 -0.31 0.00 0.00 0.00 0.00 17.79 19.40 3kf3 h ALA 99 CO 0.72 0.96 -0.73 0.42 0.00 0.00 0.00 179.25 180.62 3kf3 s ILE 100 N -2.49 0.09 0.20 0.00 1.01 -1.20 -3.90 121.20 114.90 3kf3 s ILE 100 Ca -0.22 0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.55 3kf3 s ILE 100 Cb 0.05 -0.15 -0.05 0.00 0.01 0.00 0.00 42.46 42.33 3kf3 s ILE 100 CO 0.74 0.08 -0.10 -0.83 0.00 0.00 0.00 174.94 174.84 3kf3 s GLY 101 N 0.59 1.37 0.75 6.18 0.00 -1.26 -1.19 107.32 113.76 3kf3 s GLY 101 Ca -0.05 -1.65 -0.11 0.00 0.00 0.00 0.00 44.72 42.91 3kf3 s GLY 101 CO -0.01 -1.69 1.08 2.56 0.00 0.00 0.00 173.10 175.03 3kf3 s PRO 102 N -3.73 2.46 0.20 2.90 0.04 -1.26 -4.88 135.00 130.73 3kf3 s PRO 102 Ca 0.22 0.78 -0.01 0.00 0.04 0.00 0.00 61.00 62.04 3kf3 s PRO 102 Cb 0.02 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 32.73 3kf3 s PRO 102 CO 0.05 -1.39 1.49 0.93 0.04 0.00 0.00 177.00 178.12 3kf3 h GLU 103 N -0.93 0.42 -5.16 4.56 5.08 -1.97 -3.46 114.58 113.11 3kf3 h GLU 103 Ca -0.46 -0.30 -0.36 0.00 -1.00 0.00 0.00 59.36 57.24 3kf3 h GLU 103 Cb 1.24 0.05 -0.17 0.00 0.50 0.00 0.00 28.75 30.37 3kf3 h GLU 103 CO 0.58 0.92 -0.74 -1.01 -1.00 0.00 0.00 179.01 177.76 3kf3 s HIS 104 N -3.78 1.23 0.14 4.33 3.76 -1.26 -5.01 115.29 114.70 3kf3 s HIS 104 Ca -0.06 -0.63 0.24 0.00 -0.15 0.00 0.00 55.06 54.46 3kf3 s HIS 104 Cb 0.11 -0.65 1.29 0.00 1.11 0.00 0.00 32.58 34.44 3kf3 s HIS 104 CO 0.83 0.07 1.70 -0.44 -0.85 0.00 0.00 174.74 176.05 3kf3 h ASP 105 N 3.42 0.00 0.32 1.40 5.19 -1.99 -2.05 116.42 122.71 3kf3 h ASP 105 Ca -0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 3kf3 h ASP 105 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 3kf3 h ASP 105 CO 0.54 0.00 -0.06 -3.20 -3.12 0.00 0.00 179.24 173.39 3kf3 n ASN 106 N -2.42 0.36 -3.91 6.45 4.05 -1.26 -3.30 115.26 115.23 3kf3 n ASN 106 Ca -0.02 -0.62 -0.21 0.00 0.45 0.00 0.00 54.58 54.19 3kf3 n ASN 106 Cb 0.18 -0.10 -0.09 0.00 1.23 0.00 0.00 39.78 41.01 3kf3 n ASN 106 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3kf3 s GLU 107 N -2.38 1.71 -0.13 1.20 2.02 -0.77 -4.30 118.70 116.04 3kf3 s GLU 107 Ca 0.33 -2.00 -0.23 0.00 0.02 0.00 0.00 54.97 53.08 3kf3 s GLU 107 Cb 0.20 -0.16 0.06 0.00 0.10 0.00 0.00 34.13 34.33 3kf3 s GLU 107 CO 0.45 -0.49 0.58 0.20 0.02 0.00 0.00 175.26 176.02 3kf3 s GLY 108 N -3.43 -0.45 -0.65 -1.39 0.00 -0.73 -3.06 107.32 97.61 3kf3 s GLY 108 Ca 0.34 1.35 -0.25 0.00 0.00 0.00 0.00 44.72 46.15 3kf3 s GLY 108 CO 0.19 1.07 1.07 -0.42 0.00 0.00 0.00 173.10 175.00 3kf3 s ILE 109 N -0.47 4.15 0.40 0.90 -1.09 -0.57 -1.20 121.20 123.32 3kf3 s ILE 109 Ca -0.06 0.13 -0.06 0.00 -2.23 0.00 0.00 60.65 58.43 3kf3 s ILE 109 Cb -0.03 -4.72 0.09 0.00 -1.58 0.00 0.00 42.46 36.23 3kf3 s ILE 109 CO 0.05 -1.47 0.55 0.49 -1.23 0.00 0.00 174.94 173.33 3kf3 n PHE 110 N 8.17 -3.94 -0.90 3.97 3.01 0.35 -4.47 117.46 123.64 3kf3 n PHE 110 Ca 0.01 -0.51 -0.31 0.00 1.01 0.00 0.00 57.45 57.64 3kf3 n PHE 110 Cb 0.47 -0.42 0.14 0.00 -0.01 0.00 0.00 39.48 39.66 3kf3 n PHE 110 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3kf3 s SER 111 N -3.02 3.38 0.00 4.37 0.01 -1.26 -3.97 113.70 113.21 3kf3 s SER 111 Ca 0.31 2.15 0.00 0.00 1.31 0.00 0.00 55.95 59.72 3kf3 s SER 111 Cb -0.01 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.66 3kf3 s SER 111 CO 0.22 -2.80 0.00 0.61 0.41 0.00 0.00 173.24 171.68 3kf3 n GLY 112 N -0.04 -1.24 3.26 3.44 0.00 -1.26 -1.77 105.19 107.60 3kf3 n GLY 112 Ca 0.12 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 45.14 3kf3 n GLY 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kf3 s SER 113 N -3.62 0.93 0.00 1.61 1.04 0.33 -1.69 113.70 112.30 3kf3 s SER 113 Ca 0.00 -1.51 0.05 0.00 0.48 0.00 0.00 55.95 54.96 3kf3 s SER 113 Cb 0.00 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 3kf3 s SER 113 CO 0.00 -0.89 -0.15 -0.63 0.98 0.00 0.00 173.24 172.55 3kf3 s ILE 114 N -3.83 1.19 0.24 -1.02 1.01 -1.26 -0.59 121.20 116.94 3kf3 s ILE 114 Ca 0.38 -0.73 0.10 0.00 0.00 0.00 0.00 60.65 60.40 3kf3 s ILE 114 Cb 0.06 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.47 3kf3 s ILE 114 CO 0.17 0.27 -0.17 0.68 0.00 0.00 0.00 174.94 175.89 3kf3 s VAL 115 N -0.46 2.06 -0.24 2.92 -7.23 -0.26 -4.69 120.40 112.49 3kf3 s VAL 115 Ca 0.05 -2.30 -0.07 0.00 -1.81 0.00 0.00 61.98 57.85 3kf3 s VAL 115 Cb -0.06 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 3kf3 s VAL 115 CO -0.00 -0.51 0.06 -0.69 -0.31 0.00 0.00 175.10 173.65 3kf3 s VAL 116 N -2.76 4.27 -1.18 1.32 1.01 -1.26 -1.01 120.40 120.78 3kf3 s VAL 116 Ca 0.26 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 3kf3 s VAL 116 Cb -0.03 -2.99 0.24 0.00 0.00 0.00 0.00 36.38 33.60 3kf3 s VAL 116 CO 0.10 0.35 1.71 -0.67 0.00 0.00 0.00 175.10 176.59 3kf3 n ASP 117 N 4.84 5.80 -0.26 3.32 2.03 0.83 -4.86 116.55 128.25 3kf3 n ASP 117 Ca -0.16 -3.26 0.07 0.00 0.52 0.00 0.00 54.79 51.95 3kf3 n ASP 117 Cb 0.51 -1.37 0.21 0.00 -0.72 0.00 0.00 41.12 39.75 3kf3 n ASP 117 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 3kf3 h HIS 118 N 5.55 0.38 -0.50 -0.67 3.86 -1.83 -1.41 115.15 120.52 3kf3 h HIS 118 Ca 0.31 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 3kf3 h HIS 118 Cb 0.61 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.03 3kf3 h HIS 118 CO 1.15 -0.06 0.00 0.09 0.86 0.00 0.00 177.93 179.97 3kf3 n ASN 119 N -5.12 3.55 -3.86 2.45 4.13 -1.26 -4.77 115.26 110.38 3kf3 n ASN 119 Ca 0.16 -2.27 -0.27 0.00 1.68 0.00 0.00 54.58 53.88 3kf3 n ASN 119 Cb 0.49 -0.47 0.02 0.00 -1.54 0.00 0.00 39.78 38.28 3kf3 n ASN 119 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3kf3 n ASN 120 N 0.85 -2.87 0.23 6.41 5.15 -0.53 -4.87 115.26 119.63 3kf3 n ASN 120 Ca 0.19 -0.84 0.08 0.00 -0.60 0.00 0.00 54.58 53.42 3kf3 n ASN 120 Cb 0.65 -3.78 0.57 0.00 -0.53 0.00 0.00 39.78 36.70 3kf3 n ASN 120 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 3kf3 h THR 121 N -1.95 0.88 0.00 -0.44 1.35 -1.89 -2.83 112.91 108.04 3kf3 h THR 121 Ca -0.60 -0.74 -0.06 0.00 -0.55 0.00 0.00 66.41 64.46 3kf3 h THR 121 Cb 1.37 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 3kf3 h THR 121 CO 0.63 0.19 -0.26 0.77 -0.25 0.00 0.00 175.52 176.60 3kf3 h SER 122 N 0.00 0.00 0.00 5.36 4.64 -1.87 -3.43 113.55 118.25 3kf3 h SER 122 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kf3 h SER 122 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3kf3 h SER 122 CO 0.03 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 3kf3 n GLY 123 N 0.89 0.80 0.18 -0.77 0.00 -1.07 -4.94 105.19 100.29 3kf3 n GLY 123 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3kf3 n GLY 123 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kf3 h PHE 124 N 0.00 0.00 -3.18 1.61 0.04 -1.92 -3.46 116.94 110.03 3kf3 h PHE 124 Ca 0.00 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 60.10 3kf3 h PHE 124 Cb 0.00 0.00 -0.33 0.00 2.20 0.00 0.00 35.95 37.82 3kf3 h PHE 124 CO 0.00 0.00 -0.84 -0.06 -0.60 0.00 0.00 178.31 176.81 3kf3 s PHE 125 N -3.19 2.76 1.19 -0.55 0.40 -1.26 -5.09 117.98 112.24 3kf3 s PHE 125 Ca 0.07 -1.35 -0.17 0.00 -0.60 0.00 0.00 56.93 54.88 3kf3 s PHE 125 Cb 0.07 -1.89 0.28 0.00 0.51 0.00 0.00 43.02 41.99 3kf3 s PHE 125 CO 0.66 -0.65 1.05 -0.80 0.70 0.00 0.00 175.22 176.18 3kf3 s ASN 126 N 1.04 0.94 0.00 1.36 0.01 -1.26 -4.93 114.94 112.11 3kf3 s ASN 126 Ca -0.01 0.98 0.16 0.00 -0.71 0.00 0.00 52.86 53.28 3kf3 s ASN 126 Cb -0.14 -1.47 0.75 0.00 0.41 0.00 0.00 41.25 40.80 3kf3 s ASN 126 CO -0.06 -4.15 1.50 -0.24 -1.51 0.00 0.00 177.10 172.64 3kf3 n SER 127 N -4.83 0.00 -0.14 -1.22 2.88 -1.26 -2.75 113.62 106.30 3kf3 n SER 127 Ca 0.09 0.30 0.14 0.00 -1.33 0.00 0.00 58.87 58.07 3kf3 n SER 127 Cb 0.58 -0.40 0.59 0.00 -0.75 0.00 0.00 64.21 64.23 3kf3 n SER 127 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3kf3 n SER 128 N -1.40 0.57 -4.29 -3.46 3.41 -1.26 -4.72 113.62 102.46 3kf3 n SER 128 Ca 0.06 -0.67 -0.36 0.00 -0.26 0.00 0.00 58.87 57.64 3kf3 n SER 128 Cb 0.16 -0.04 -0.14 0.00 -0.26 0.00 0.00 64.21 63.93 3kf3 n SER 128 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3kf3 s ILE 129 N -2.44 3.44 0.27 -1.33 -1.09 -1.11 -5.09 121.20 113.86 3kf3 s ILE 129 Ca 0.29 -0.72 -0.30 0.00 -2.23 0.00 0.00 60.65 57.70 3kf3 s ILE 129 Cb 0.20 -2.70 -0.13 0.00 -1.58 0.00 0.00 42.46 38.25 3kf3 s ILE 129 CO 0.47 0.23 1.26 -0.67 -1.23 0.00 0.00 174.94 175.00 3kf3 n ASP 130 N 4.78 2.26 -0.31 3.58 2.03 -1.26 -4.84 116.55 122.79 3kf3 n ASP 130 Ca -0.16 1.17 0.12 0.00 0.52 0.00 0.00 54.79 56.43 3kf3 n ASP 130 Cb 0.49 -1.39 0.35 0.00 -0.72 0.00 0.00 41.12 39.85 3kf3 n ASP 130 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3kf3 h PRO 131 N 3.16 0.73 0.00 -0.67 0.11 -1.94 0.47 132.00 133.85 3kf3 h PRO 131 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kf3 h PRO 131 Cb 1.30 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kf3 h PRO 131 CO 0.68 0.48 0.00 0.09 -0.21 0.00 0.00 178.00 179.04 3kf3 n ASN 132 N -4.62 0.00 -0.03 -2.05 3.02 -1.26 -2.87 115.26 107.45 3kf3 n ASN 132 Ca 0.19 -0.71 0.02 0.00 -0.03 0.00 0.00 54.58 54.06 3kf3 n ASN 132 Cb 0.49 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.69 3kf3 n ASN 132 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3kf3 n GLN 133 N -0.98 2.13 -2.42 3.52 7.27 0.14 -4.40 117.38 122.63 3kf3 n GLN 133 Ca 0.16 -1.55 -0.43 0.00 0.07 0.00 0.00 57.00 55.25 3kf3 n GLN 133 Cb 0.07 -1.01 0.00 0.00 2.41 0.00 0.00 30.24 31.72 3kf3 n GLN 133 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3kf3 n ARG 134 N -0.59 3.24 -3.18 3.69 1.74 -1.14 -4.64 116.66 115.79 3kf3 n ARG 134 Ca 0.03 -3.31 -0.40 0.00 -0.77 0.00 0.00 57.85 53.40 3kf3 n ARG 134 Cb 0.38 -3.22 -0.06 0.00 -1.02 0.00 0.00 32.46 28.53 3kf3 n ARG 134 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kf3 s ILE 135 N 2.57 5.05 -0.11 0.55 1.01 -1.26 -0.12 121.20 128.89 3kf3 s ILE 135 Ca 0.47 1.06 0.02 0.00 0.00 0.00 0.00 60.65 62.20 3kf3 s ILE 135 Cb 0.06 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 38.65 3kf3 s ILE 135 CO 0.01 0.12 -0.18 -0.69 0.00 0.00 0.00 174.94 174.20 3kf3 s VAL 136 N 1.93 1.68 -0.12 2.92 1.01 -0.18 -1.31 120.40 126.33 3kf3 s VAL 136 Ca 0.26 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 3kf3 s VAL 136 Cb -0.16 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 3kf3 s VAL 136 CO 0.10 0.48 0.30 0.00 0.00 0.00 0.00 175.10 175.97 3kf3 s ALA 137 N 0.87 3.65 -0.16 5.51 0.00 0.62 -1.10 121.76 131.15 3kf3 s ALA 137 Ca -0.08 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.47 3kf3 s ALA 137 Cb -0.15 -2.34 0.02 0.00 0.00 0.00 0.00 23.12 20.64 3kf3 s ALA 137 CO -0.01 0.24 -0.21 0.42 0.00 0.00 0.00 175.76 176.20 3kf3 s ILE 138 N -0.04 2.04 0.12 0.00 1.09 0.24 -1.08 121.20 123.57 3kf3 s ILE 138 Ca 0.18 -0.94 -0.06 0.00 -1.10 0.00 0.00 60.65 58.73 3kf3 s ILE 138 Cb -0.14 -1.82 -0.02 0.00 -1.06 0.00 0.00 42.46 39.42 3kf3 s ILE 138 CO 0.06 0.54 0.16 -0.72 -0.10 0.00 0.00 174.94 174.88 3kf3 s TYR 139 N 1.08 0.46 -0.11 3.97 -0.85 -0.36 -0.51 117.35 121.02 3kf3 s TYR 139 Ca -0.01 -0.87 -0.24 0.00 -0.52 0.00 0.00 57.07 55.43 3kf3 s TYR 139 Cb -0.14 -0.21 -0.03 0.00 0.38 0.00 0.00 41.96 41.96 3kf3 s TYR 139 CO -0.08 -0.57 0.76 0.99 -1.52 0.00 0.00 175.55 175.13 3kf3 s THR 140 N -3.95 4.98 -0.28 -3.49 2.01 -0.73 -0.36 115.64 113.82 3kf3 s THR 140 Ca 0.14 1.53 -0.18 0.00 0.31 0.00 0.00 61.69 63.48 3kf3 s THR 140 Cb 0.05 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 3kf3 s THR 140 CO -0.04 0.16 0.54 0.21 -0.69 0.00 0.00 174.62 174.79 3kf3 s ASN 141 N 0.97 6.43 -0.23 3.53 2.47 0.20 -0.50 114.94 127.81 3kf3 s ASN 141 Ca 0.38 0.44 -0.12 0.00 0.42 0.00 0.00 52.86 53.98 3kf3 s ASN 141 Cb -0.17 -2.29 -0.05 0.00 -1.45 0.00 0.00 41.25 37.29 3kf3 s ASN 141 CO 0.16 -0.34 0.22 0.21 -3.72 0.00 0.00 177.10 173.63 3kf3 s ASN 142 N 1.59 6.19 0.10 -4.21 2.47 -0.34 -1.98 114.94 118.77 3kf3 s ASN 142 Ca 0.22 0.21 0.04 0.00 0.42 0.00 0.00 52.86 53.75 3kf3 s ASN 142 Cb -0.15 -2.13 -0.04 0.00 -1.45 0.00 0.00 41.25 37.47 3kf3 s ASN 142 CO 0.10 0.03 -0.11 -0.63 -3.72 0.00 0.00 177.10 172.78 3kf3 s ILE 143 N 1.10 1.01 -0.03 -5.21 1.01 -0.08 -1.77 121.20 117.23 3kf3 s ILE 143 Ca 0.10 -1.68 -0.36 0.00 0.00 0.00 0.00 60.65 58.71 3kf3 s ILE 143 Cb -0.14 -1.42 -0.15 0.00 0.01 0.00 0.00 42.46 40.76 3kf3 s ILE 143 CO 0.05 -0.55 1.60 -2.65 0.00 0.00 0.00 174.94 173.39 3kf3 n PRO 144 N 0.50 1.57 -0.96 2.79 -0.02 -1.26 -1.66 135.00 135.96 3kf3 n PRO 144 Ca -0.16 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3kf3 n PRO 144 Cb 0.58 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3kf3 n PRO 144 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3kf3 n ASP 145 N 4.26 -4.37 -3.74 2.55 10.43 -1.26 -4.96 116.55 119.45 3kf3 n ASP 145 Ca 0.21 0.00 -0.12 0.00 2.57 0.00 0.00 54.79 57.45 3kf3 n ASP 145 Cb 0.22 -2.38 -0.12 0.00 1.84 0.00 0.00 41.12 40.67 3kf3 n ASP 145 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3kf3 s ASN 146 N -2.04 -0.29 -0.12 -2.24 2.47 -0.66 -4.26 114.94 107.80 3kf3 s ASN 146 Ca 0.00 0.56 0.01 0.00 0.42 0.00 0.00 52.86 53.85 3kf3 s ASN 146 Cb 0.00 0.48 0.02 0.00 -1.45 0.00 0.00 41.25 40.30 3kf3 s ASN 146 CO 0.00 -0.14 -0.16 -1.10 -3.72 0.00 0.00 177.10 171.98 3kf3 s GLN 147 N 0.88 2.32 0.27 0.43 -0.21 0.11 -0.90 119.66 122.56 3kf3 s GLN 147 Ca -0.06 -0.59 0.06 0.00 0.02 0.00 0.00 55.36 54.79 3kf3 s GLN 147 Cb -0.07 -2.00 -0.06 0.00 1.00 0.00 0.00 33.01 31.88 3kf3 s GLN 147 CO -0.06 -0.10 -0.05 0.95 -2.12 0.00 0.00 175.29 173.92 3kf3 s THR 148 N 1.08 1.53 -0.22 -0.19 -4.23 -0.84 -4.56 115.64 108.22 3kf3 s THR 148 Ca -0.04 -2.10 -0.12 0.00 -1.18 0.00 0.00 61.69 58.25 3kf3 s THR 148 Cb -0.14 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.20 3kf3 s THR 148 CO -0.04 -0.29 0.21 -1.10 -0.54 0.00 0.00 174.62 172.86 3kf3 s GLN 149 N -3.75 4.13 0.21 3.99 -1.52 -0.41 -0.62 119.66 121.68 3kf3 s GLN 149 Ca 0.29 -0.13 0.07 0.00 -1.95 0.00 0.00 55.36 53.64 3kf3 s GLN 149 Cb 0.04 -3.51 -0.05 0.00 -0.22 0.00 0.00 33.01 29.28 3kf3 s GLN 149 CO 0.11 0.10 -0.12 -0.51 -0.25 0.00 0.00 175.29 174.62 3kf3 s ASP 150 N 0.88 2.51 0.14 5.90 1.11 0.51 -0.40 116.67 127.33 3kf3 s ASP 150 Ca 0.11 -1.05 0.07 0.00 0.18 0.00 0.00 52.55 51.86 3kf3 s ASP 150 Cb -0.13 -0.12 -0.04 0.00 1.07 0.00 0.00 42.92 43.69 3kf3 s ASP 150 CO 0.04 -0.22 -0.16 0.27 1.18 0.00 0.00 175.17 176.27 3kf3 s ILE 151 N -3.03 1.60 0.00 0.77 -4.36 -1.26 -1.23 121.20 113.70 3kf3 s ILE 151 Ca 0.23 -1.82 -0.10 0.00 -0.26 0.00 0.00 60.65 58.70 3kf3 s ILE 151 Cb 0.00 -1.70 0.01 0.00 1.25 0.00 0.00 42.46 42.03 3kf3 s ILE 151 CO 0.07 -0.35 0.21 0.00 0.24 0.00 0.00 174.94 175.11 3kf3 s ALA 152 N -2.06 -0.51 0.12 2.27 0.00 -0.24 -1.45 121.76 119.90 3kf3 s ALA 152 Ca 0.12 0.02 0.10 0.00 0.00 0.00 0.00 51.96 52.21 3kf3 s ALA 152 Cb -0.05 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 3kf3 s ALA 152 CO 0.05 -0.25 -0.25 -0.59 0.00 0.00 0.00 175.76 174.72 3kf3 s PHE 153 N -1.50 2.37 -0.09 0.00 -0.12 -0.30 -0.28 117.98 118.06 3kf3 s PHE 153 Ca -0.13 -0.35 0.03 0.00 -0.05 0.00 0.00 56.93 56.42 3kf3 s PHE 153 Cb -0.06 -1.28 -0.02 0.00 -0.63 0.00 0.00 43.02 41.03 3kf3 s PHE 153 CO 0.02 0.34 -0.17 0.45 -0.05 0.00 0.00 175.22 175.81 3kf3 s SER 154 N -2.03 3.71 0.00 1.98 0.15 -0.43 -0.88 113.70 116.21 3kf3 s SER 154 Ca 0.15 -0.35 0.14 0.00 0.70 0.00 0.00 55.95 56.59 3kf3 s SER 154 Cb -0.10 -1.19 0.20 0.00 -1.71 0.00 0.00 66.02 63.22 3kf3 s SER 154 CO 0.07 0.24 1.08 0.18 1.20 0.00 0.00 173.24 176.00 3kf3 n LEU 155 N 3.04 2.52 -0.96 3.45 4.77 -1.26 -4.09 117.00 124.47 3kf3 n LEU 155 Ca -0.18 -1.31 0.02 0.00 -0.03 0.00 0.00 56.01 54.52 3kf3 n LEU 155 Cb 0.52 -0.09 0.15 0.00 -2.33 0.00 0.00 43.42 41.67 3kf3 n LEU 155 CO 0.28 0.52 0.28 -0.90 -1.33 0.00 0.00 177.39 176.24 3kf3 n ASP 156 N 0.82 1.91 -0.06 -1.43 5.75 -1.26 -4.96 116.55 117.32 3kf3 n ASP 156 Ca 0.11 -3.51 -0.01 0.00 -0.01 0.00 0.00 54.79 51.37 3kf3 n ASP 156 Cb 0.40 -0.47 -0.00 0.00 -1.03 0.00 0.00 41.12 40.02 3kf3 n ASP 156 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kf3 n GLY 157 N -0.78 0.47 0.00 6.12 0.00 -1.26 -4.07 105.19 105.67 3kf3 n GLY 157 Ca 0.19 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3kf3 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kf3 n GLY 158 N -2.83 1.04 0.13 -0.02 0.00 -1.26 -5.01 105.19 97.24 3kf3 n GLY 158 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 3kf3 n GLY 158 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kf3 n TYR 159 N -1.91 0.32 -4.39 1.61 4.02 -1.26 -4.96 117.16 110.59 3kf3 n TYR 159 Ca 0.00 0.09 -0.27 0.00 -0.01 0.00 0.00 57.90 57.71 3kf3 n TYR 159 Cb 0.00 -1.04 -0.12 0.00 -0.02 0.00 0.00 39.34 38.16 3kf3 n TYR 159 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3kf3 s THR 160 N -2.51 2.23 0.05 -0.72 -4.23 -1.26 -4.45 115.64 104.75 3kf3 s THR 160 Ca -0.33 -1.90 0.05 0.00 -1.18 0.00 0.00 61.69 58.33 3kf3 s THR 160 Cb 0.10 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.90 3kf3 s THR 160 CO 0.60 -0.06 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.12 3kf3 s PHE 161 N -1.46 1.21 -0.16 3.99 0.40 -1.25 -4.21 117.98 116.50 3kf3 s PHE 161 Ca 0.17 -0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 56.11 3kf3 s PHE 161 Cb -0.09 -0.71 -0.01 0.00 0.51 0.00 0.00 43.02 42.72 3kf3 s PHE 161 CO 0.08 0.04 -0.10 0.99 0.70 0.00 0.00 175.22 176.92 3kf3 s THR 162 N -0.96 3.15 0.33 0.64 2.01 -0.06 -4.93 115.64 115.82 3kf3 s THR 162 Ca 0.00 -0.61 -0.27 0.00 0.31 0.00 0.00 61.69 61.13 3kf3 s THR 162 Cb -0.08 -2.36 -0.09 0.00 0.01 0.00 0.00 72.50 69.97 3kf3 s THR 162 CO 0.01 0.49 1.08 -0.54 -0.69 0.00 0.00 174.62 174.98 3kf3 s LYS 163 N 0.72 4.44 0.22 4.92 1.02 -1.26 -1.15 119.74 128.65 3kf3 s LYS 163 Ca -0.05 1.69 -0.30 0.00 0.02 0.00 0.00 55.97 57.33 3kf3 s LYS 163 Cb -0.15 -2.93 -0.09 0.00 -0.52 0.00 0.00 37.83 34.14 3kf3 s LYS 163 CO 0.02 0.06 1.37 -0.47 -0.92 0.00 0.00 175.35 175.41 3kf3 s TYR 164 N -1.35 3.15 0.28 3.18 5.04 -0.53 -4.92 117.35 122.20 3kf3 s TYR 164 Ca 0.50 1.12 0.01 0.00 -2.44 0.00 0.00 57.07 56.26 3kf3 s TYR 164 Cb -0.28 -3.70 0.64 0.00 0.35 0.00 0.00 41.96 38.97 3kf3 s TYR 164 CO 0.36 -2.26 1.71 0.93 -1.34 0.00 0.00 175.55 174.94 3kf3 h GLU 165 N 5.29 0.41 -0.62 4.97 5.08 -1.93 -2.57 114.58 125.21 3kf3 h GLU 165 Ca -0.45 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 57.71 3kf3 h GLU 165 Cb 1.22 -0.09 -0.10 0.00 0.50 0.00 0.00 28.75 30.27 3kf3 h GLU 165 CO 0.78 0.27 0.19 0.09 -1.00 0.00 0.00 179.01 179.34 3kf3 n ASN 166 N -5.03 4.45 -4.68 1.42 3.02 -1.26 -4.97 115.26 108.22 3kf3 n ASN 166 Ca 0.20 -3.25 -0.42 0.00 -0.03 0.00 0.00 54.58 51.08 3kf3 n ASN 166 Cb 0.58 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 3kf3 n ASN 166 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kf3 n ASN 167 N -0.31 2.40 -4.84 6.41 3.02 -0.97 -4.38 115.26 116.59 3kf3 n ASN 167 Ca 0.37 1.15 -0.32 0.00 -0.03 0.00 0.00 54.58 55.75 3kf3 n ASN 167 Cb 1.27 -1.46 -0.04 0.00 -0.61 0.00 0.00 39.78 38.94 3kf3 n ASN 167 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3kf3 s PRO 168 N -1.99 3.97 0.21 3.52 0.04 -1.26 -5.10 135.00 134.38 3kf3 s PRO 168 Ca 0.58 0.89 0.18 0.00 0.04 0.00 0.00 61.00 62.69 3kf3 s PRO 168 Cb -0.56 -2.20 0.01 0.00 0.04 0.00 0.00 34.50 31.80 3kf3 s PRO 168 CO 0.60 -0.17 1.16 -0.39 0.04 0.00 0.00 177.00 178.24 3kf3 h VAL 169 N 1.15 0.46 -3.37 -0.36 -1.51 -0.93 -3.45 116.25 108.24 3kf3 h VAL 169 Ca -0.47 -1.75 -0.28 0.00 -1.23 0.00 0.00 66.70 62.97 3kf3 h VAL 169 Cb 1.18 2.05 -0.34 0.00 -2.13 0.00 0.00 31.29 32.06 3kf3 h VAL 169 CO 0.62 0.26 -0.67 -0.63 -1.23 0.00 0.00 177.57 175.92 3kf3 s ILE 170 N -3.06 -0.07 -0.09 7.19 1.01 -0.96 -4.52 121.20 120.70 3kf3 s ILE 170 Ca 0.01 0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.85 3kf3 s ILE 170 Cb 0.08 -0.16 0.04 0.00 0.01 0.00 0.00 42.46 42.43 3kf3 s ILE 170 CO 0.77 0.09 0.09 -0.62 0.00 0.00 0.00 174.94 175.28 3kf3 s ASP 171 N 1.27 1.43 -0.16 3.58 3.68 -1.26 -1.29 116.67 123.92 3kf3 s ASP 171 Ca -0.07 -0.09 0.16 0.00 2.13 0.00 0.00 52.55 54.67 3kf3 s ASP 171 Cb -0.12 -0.07 0.52 0.00 -1.45 0.00 0.00 42.92 41.79 3kf3 s ASP 171 CO -0.04 -0.28 1.42 1.33 0.13 0.00 0.00 175.17 177.72 3kf3 n VAL 172 N 5.30 2.14 -3.57 1.11 0.24 -1.26 -4.97 118.33 117.32 3kf3 n VAL 172 Ca -0.05 -1.74 -0.22 0.00 -2.04 0.00 0.00 64.34 60.30 3kf3 n VAL 172 Cb 0.50 -0.15 0.08 0.00 -1.47 0.00 0.00 33.84 32.79 3kf3 n VAL 172 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3kf3 n SER 173 N -0.31 -4.41 -4.25 -1.34 7.64 -1.26 -5.01 113.62 104.67 3kf3 n SER 173 Ca 0.20 -0.60 -0.25 0.00 1.01 0.00 0.00 58.87 59.24 3kf3 n SER 173 Cb 0.85 -4.93 -0.13 0.00 -1.01 0.00 0.00 64.21 58.98 3kf3 n SER 173 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3kf3 s SER 174 N -3.76 2.42 0.00 6.43 0.15 -1.26 -5.01 113.70 112.68 3kf3 s SER 174 Ca 0.35 -0.57 0.27 0.00 0.70 0.00 0.00 55.95 56.69 3kf3 s SER 174 Cb -0.16 -0.17 0.82 0.00 -1.71 0.00 0.00 66.02 64.80 3kf3 s SER 174 CO 0.74 0.12 1.60 -3.20 1.20 0.00 0.00 173.24 173.70 3kf3 n ASN 175 N 1.60 1.15 -3.30 5.45 5.15 -1.26 -0.71 115.26 123.34 3kf3 n ASN 175 Ca -0.18 -1.04 -0.26 0.00 -0.60 0.00 0.00 54.58 52.50 3kf3 n ASN 175 Cb 0.53 0.10 -0.09 0.00 -0.53 0.00 0.00 39.78 39.80 3kf3 n ASN 175 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kf3 n GLN 176 N -0.44 0.48 -3.16 1.20 1.13 -1.26 -4.61 117.38 110.72 3kf3 n GLN 176 Ca 0.14 -3.23 0.02 0.00 -1.94 0.00 0.00 57.00 51.99 3kf3 n GLN 176 Cb 0.35 -1.47 -0.00 0.00 0.11 0.00 0.00 30.24 29.23 3kf3 n GLN 176 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 3kf3 s PHE 177 N -0.58 -1.65 0.21 1.08 5.36 -1.25 -2.34 117.98 118.81 3kf3 s PHE 177 Ca 0.34 0.56 -0.17 0.00 -0.96 0.00 0.00 56.93 56.70 3kf3 s PHE 177 Cb 0.10 0.29 0.02 0.00 -0.34 0.00 0.00 43.02 43.10 3kf3 s PHE 177 CO -0.15 -1.05 0.55 -0.98 -1.46 0.00 0.00 175.22 172.12 3kf3 s ARG 178 N 2.28 1.46 -0.27 10.12 1.70 -0.64 -4.34 118.95 129.25 3kf3 s ARG 178 Ca 0.14 -0.93 -0.01 0.00 -0.47 0.00 0.00 55.73 54.46 3kf3 s ARG 178 Cb -0.06 0.53 -0.01 0.00 -0.57 0.00 0.00 34.95 34.84 3kf3 s ARG 178 CO -0.15 -0.63 0.25 -0.25 -1.08 0.00 0.00 175.30 173.44 3kf3 n ASP 179 N -0.36 -3.70 -4.70 -2.89 8.00 -1.26 -1.81 116.55 109.83 3kf3 n ASP 179 Ca -0.08 -0.10 -0.42 0.00 0.71 0.00 0.00 54.79 54.90 3kf3 n ASP 179 Cb 0.62 -2.22 -0.03 0.00 -0.02 0.00 0.00 41.12 39.47 3kf3 n ASP 179 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3kf3 s PRO 180 N -3.17 4.47 -0.26 -0.24 0.04 -1.26 -4.23 135.00 130.35 3kf3 s PRO 180 Ca 0.06 1.46 -0.05 0.00 0.04 0.00 0.00 61.00 62.52 3kf3 s PRO 180 Cb -0.01 -3.49 0.01 0.00 0.04 0.00 0.00 34.50 31.05 3kf3 s PRO 180 CO 0.24 -0.21 0.01 0.21 0.04 0.00 0.00 177.00 177.28 3kf3 s LYS 181 N 1.53 3.13 0.08 4.56 2.47 0.16 -2.79 119.74 128.88 3kf3 s LYS 181 Ca 0.52 -0.80 0.08 0.00 -1.56 0.00 0.00 55.97 54.20 3kf3 s LYS 181 Cb -0.21 -3.16 -0.04 0.00 -1.46 0.00 0.00 37.83 32.97 3kf3 s LYS 181 CO 0.24 -0.35 -0.18 0.54 0.16 0.00 0.00 175.35 175.76 3kf3 s VAL 182 N 1.45 2.83 0.00 4.02 0.11 -1.26 -1.41 120.40 126.14 3kf3 s VAL 182 Ca 0.03 -1.35 -0.15 0.00 -2.93 0.00 0.00 61.98 57.58 3kf3 s VAL 182 Cb -0.16 -2.25 0.02 0.00 -1.53 0.00 0.00 36.38 32.46 3kf3 s VAL 182 CO -0.01 0.21 0.32 0.72 -3.33 0.00 0.00 175.10 173.02 3kf3 s PHE 183 N -1.04 -0.18 -0.00 1.54 -0.12 -0.27 -4.75 117.98 113.15 3kf3 s PHE 183 Ca 0.16 0.21 -0.30 0.00 -0.05 0.00 0.00 56.93 56.96 3kf3 s PHE 183 Cb -0.11 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 3kf3 s PHE 183 CO 0.08 -0.44 1.20 -0.46 -0.05 0.00 0.00 175.22 175.55 3kf3 s TRP 184 N -1.70 3.30 -0.40 3.49 -0.11 -1.26 -0.01 118.94 122.24 3kf3 s TRP 184 Ca -0.11 1.25 -0.06 0.00 1.22 0.00 0.00 56.10 58.40 3kf3 s TRP 184 Cb -0.04 -3.42 0.09 0.00 -1.50 0.00 0.00 33.47 28.60 3kf3 s TRP 184 CO 0.02 -1.29 0.22 -1.58 -4.62 0.00 0.00 176.95 169.69 3kf3 s HIS 185 N 1.69 3.41 0.10 5.86 5.65 0.49 -4.93 115.29 127.56 3kf3 s HIS 185 Ca 0.57 -1.88 -0.26 0.00 0.25 0.00 0.00 55.06 53.75 3kf3 s HIS 185 Cb -0.27 -2.98 -0.12 0.00 -1.18 0.00 0.00 32.58 28.03 3kf3 s HIS 185 CO 0.25 -0.89 1.69 0.93 -0.65 0.00 0.00 174.74 176.07 3kf3 h GLU 186 N 8.25 -0.29 -0.59 2.88 4.39 -1.95 -1.78 114.58 125.48 3kf3 h GLU 186 Ca -0.19 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.60 3kf3 h GLU 186 Cb 1.07 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.75 3kf3 h GLU 186 CO 0.72 -0.20 0.39 -0.44 -1.16 0.00 0.00 179.01 178.33 3kf3 h ASP 187 N -0.31 0.43 -0.44 1.42 3.32 -1.95 -0.12 116.42 118.77 3kf3 h ASP 187 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3kf3 h ASP 187 Cb 0.29 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3kf3 h ASP 187 CO -0.04 0.27 0.00 -1.54 -1.72 0.00 0.00 179.24 176.21 3kf3 n SER 188 N -4.47 3.37 -3.87 6.45 3.41 -1.22 -5.02 113.62 112.27 3kf3 n SER 188 Ca 0.09 -2.13 -0.37 0.00 -0.26 0.00 0.00 58.87 56.19 3kf3 n SER 188 Cb 0.30 -0.34 0.03 0.00 -0.26 0.00 0.00 64.21 63.94 3kf3 n SER 188 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3kf3 n ASN 189 N 0.68 -4.80 -3.51 4.04 2.85 -0.06 -4.98 115.26 109.49 3kf3 n ASN 189 Ca 0.16 -1.12 -0.10 0.00 -0.11 0.00 0.00 54.58 53.41 3kf3 n ASN 189 Cb 0.55 -2.43 -0.02 0.00 1.24 0.00 0.00 39.78 39.12 3kf3 n ASN 189 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kf3 s GLN 190 N -6.49 1.20 0.23 1.20 -2.07 -0.92 -4.92 119.66 107.89 3kf3 s GLN 190 Ca 0.42 -0.49 -0.30 0.00 -1.82 0.00 0.00 55.36 53.17 3kf3 s GLN 190 Cb -0.20 0.52 -0.09 0.00 -1.09 0.00 0.00 33.01 32.16 3kf3 s GLN 190 CO 0.92 -0.53 1.02 -1.58 -1.32 0.00 0.00 175.29 173.79 3kf3 s TRP 191 N -3.57 3.78 -0.08 9.60 0.52 0.15 -0.38 118.94 128.95 3kf3 s TRP 191 Ca 0.04 1.79 0.03 0.00 0.02 0.00 0.00 56.10 57.97 3kf3 s TRP 191 Cb -0.02 -3.13 -0.02 0.00 -1.15 0.00 0.00 33.47 29.15 3kf3 s TRP 191 CO -0.09 -0.06 -0.15 0.42 0.02 0.00 0.00 176.95 177.09 3kf3 s ILE 192 N -0.89 2.92 -0.15 2.03 -1.09 0.99 -1.34 121.20 123.66 3kf3 s ILE 192 Ca 0.44 -0.75 -0.00 0.00 -2.23 0.00 0.00 60.65 58.11 3kf3 s ILE 192 Cb -0.28 -2.16 -0.00 0.00 -1.58 0.00 0.00 42.46 38.43 3kf3 s ILE 192 CO 0.35 0.56 -0.14 -0.32 -1.23 0.00 0.00 174.94 174.16 3kf3 s MET 193 N -0.25 3.26 -0.17 2.79 -2.45 -0.02 -1.11 119.30 121.34 3kf3 s MET 193 Ca 0.01 -0.73 -0.08 0.00 -1.25 0.00 0.00 55.69 53.64 3kf3 s MET 193 Cb -0.13 -2.64 -0.04 0.00 1.25 0.00 0.00 34.83 33.26 3kf3 s MET 193 CO 0.03 0.05 0.08 0.14 1.05 0.00 0.00 175.02 176.37 3kf3 s VAL 194 N 0.75 4.98 0.05 10.11 -7.23 -0.50 -0.67 120.40 127.88 3kf3 s VAL 194 Ca -0.06 0.03 -0.13 0.00 -1.81 0.00 0.00 61.98 60.01 3kf3 s VAL 194 Cb -0.15 -3.23 0.02 0.00 0.56 0.00 0.00 36.38 33.57 3kf3 s VAL 194 CO 0.01 0.48 0.29 0.54 -0.31 0.00 0.00 175.10 176.11 3kf3 s VAL 195 N 0.14 0.09 -0.08 1.32 0.11 -0.57 -0.66 120.40 120.75 3kf3 s VAL 195 Ca 0.06 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.41 3kf3 s VAL 195 Cb -0.12 -0.96 -0.02 0.00 -1.53 0.00 0.00 36.38 33.75 3kf3 s VAL 195 CO 0.00 -0.40 -0.12 -0.94 -3.33 0.00 0.00 175.10 170.31 3kf3 s SER 196 N -2.11 4.15 -1.07 3.54 1.04 -0.75 0.12 113.70 118.62 3kf3 s SER 196 Ca -0.04 -0.20 -0.16 0.00 0.48 0.00 0.00 55.95 56.03 3kf3 s SER 196 Cb -0.01 -1.12 0.16 0.00 0.10 0.00 0.00 66.02 65.15 3kf3 s SER 196 CO -0.04 0.30 1.26 -0.75 0.98 0.00 0.00 173.24 174.99 3kf3 s LYS 197 N -0.44 3.87 0.17 4.02 2.47 -0.47 -1.63 119.74 127.73 3kf3 s LYS 197 Ca 0.05 -2.26 -0.18 0.00 -1.56 0.00 0.00 55.97 52.02 3kf3 s LYS 197 Cb -0.12 -4.95 0.09 0.00 -1.46 0.00 0.00 37.83 31.39 3kf3 s LYS 197 CO 0.02 -1.73 1.65 0.77 0.16 0.00 0.00 175.35 176.23 3kf3 h SER 198 N 7.87 -0.50 0.38 1.43 0.02 -1.64 -1.48 113.55 119.62 3kf3 h SER 198 Ca 0.23 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 3kf3 h SER 198 Cb 0.94 0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3kf3 h SER 198 CO 1.15 -0.18 -0.27 0.00 -1.14 0.00 0.00 176.83 176.40 3kf3 n GLN 199 N -5.34 0.54 0.00 3.45 6.02 -1.26 -1.40 117.38 119.39 3kf3 n GLN 199 Ca 0.02 -0.27 0.13 0.00 -0.01 0.00 0.00 57.00 56.87 3kf3 n GLN 199 Cb 0.25 -1.49 0.46 0.00 1.02 0.00 0.00 30.24 30.47 3kf3 n GLN 199 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3kf3 n GLU 200 N -0.99 0.82 -3.60 -1.09 1.02 -0.58 -4.97 120.64 111.26 3kf3 n GLU 200 Ca 0.11 -0.43 -0.20 0.00 -0.02 0.00 0.00 57.16 56.62 3kf3 n GLU 200 Cb 0.33 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.31 3kf3 n GLU 200 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3kf3 n TYR 201 N -0.72 -2.04 -4.20 -0.32 4.02 -1.07 -5.02 117.16 107.82 3kf3 n TYR 201 Ca 0.13 0.88 -0.20 0.00 -0.01 0.00 0.00 57.90 58.71 3kf3 n TYR 201 Cb 0.33 -4.67 -0.16 0.00 -0.02 0.00 0.00 39.34 34.82 3kf3 n TYR 201 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3kf3 s LYS 202 N -5.75 0.81 -0.21 -0.72 -0.14 -1.19 -4.47 119.74 108.08 3kf3 s LYS 202 Ca 0.02 -0.14 -0.21 0.00 -1.36 0.00 0.00 55.97 54.27 3kf3 s LYS 202 Cb -0.01 -0.80 -0.02 0.00 -1.68 0.00 0.00 37.83 35.32 3kf3 s LYS 202 CO 0.78 -0.03 0.66 0.42 -0.76 0.00 0.00 175.35 176.42 3kf3 s ILE 203 N 0.70 4.99 -0.16 2.17 1.01 0.07 -1.37 121.20 128.61 3kf3 s ILE 203 Ca -0.10 1.25 -0.08 0.00 0.00 0.00 0.00 60.65 61.73 3kf3 s ILE 203 Cb -0.13 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 3kf3 s ILE 203 CO 0.00 0.07 0.10 -1.10 0.00 0.00 0.00 174.94 174.01 3kf3 s GLN 204 N 2.11 3.80 -0.28 2.79 -0.21 0.12 -0.57 119.66 127.43 3kf3 s GLN 204 Ca 0.30 -0.26 -0.05 0.00 0.02 0.00 0.00 55.36 55.37 3kf3 s GLN 204 Cb -0.16 -3.23 0.01 0.00 1.00 0.00 0.00 33.01 30.64 3kf3 s GLN 204 CO 0.10 0.46 0.03 0.42 -2.12 0.00 0.00 175.29 174.18 3kf3 s ILE 205 N -0.12 3.62 0.16 1.08 1.01 -0.13 -1.51 121.20 125.30 3kf3 s ILE 205 Ca 0.09 -0.79 0.06 0.00 0.00 0.00 0.00 60.65 60.01 3kf3 s ILE 205 Cb -0.12 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 3kf3 s ILE 205 CO 0.01 0.13 0.05 -0.36 0.00 0.00 0.00 174.94 174.76 3kf3 s PHE 206 N 1.45 2.98 0.11 3.97 0.08 0.16 -0.19 117.98 126.53 3kf3 s PHE 206 Ca 0.02 -0.07 0.09 0.00 0.12 0.00 0.00 56.93 57.08 3kf3 s PHE 206 Cb -0.17 -1.45 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 3kf3 s PHE 206 CO 0.00 0.51 -0.22 0.20 -0.10 0.00 0.00 175.22 175.62 3kf3 s GLY 207 N -2.90 1.31 -0.07 4.36 0.00 -0.14 -0.84 107.32 109.03 3kf3 s GLY 207 Ca 0.29 -1.30 -0.20 0.00 0.00 0.00 0.00 44.72 43.51 3kf3 s GLY 207 CO 0.20 -1.30 0.46 -0.45 0.00 0.00 0.00 173.10 172.01 3kf3 s SER 208 N -1.96 -0.40 0.00 1.64 0.15 -0.45 -1.18 113.70 111.50 3kf3 s SER 208 Ca 0.08 0.50 0.24 0.00 0.70 0.00 0.00 55.95 57.47 3kf3 s SER 208 Cb -0.10 0.56 0.34 0.00 -1.71 0.00 0.00 66.02 65.11 3kf3 s SER 208 CO 0.05 -0.41 1.30 0.00 1.20 0.00 0.00 173.24 175.37 3kf3 n ALA 209 N 1.61 3.62 0.00 5.45 0.00 -1.26 0.29 120.51 130.22 3kf3 n ALA 209 Ca -0.19 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.78 3kf3 n ALA 209 Cb 0.56 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3kf3 n ALA 209 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kf3 n ASN 210 N -0.90 3.79 0.00 0.00 4.05 -1.26 -4.78 115.26 116.15 3kf3 n ASN 210 Ca 0.08 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.11 3kf3 n ASN 210 Cb 0.37 0.41 0.00 0.00 1.23 0.00 0.00 39.78 41.79 3kf3 n ASN 210 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3kf3 n LEU 211 N -1.59 0.36 -0.06 1.20 4.77 -1.26 -3.99 117.00 116.43 3kf3 n LEU 211 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3kf3 n LEU 211 Cb 0.35 -0.62 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 3kf3 n LEU 211 CO 0.00 -0.18 -0.92 0.29 -1.33 0.00 0.00 177.39 175.25 3kf3 n LYS 212 N -2.00 0.29 -3.93 3.23 5.02 -1.26 -4.92 118.16 114.59 3kf3 n LYS 212 Ca 0.00 0.09 -0.35 0.00 -2.02 0.00 0.00 58.31 56.03 3kf3 n LYS 212 Cb 0.00 -1.14 -0.14 0.00 -0.02 0.00 0.00 35.03 33.74 3kf3 n LYS 212 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kf3 s ASN 213 N -5.55 4.52 0.11 4.39 0.01 -1.26 -4.70 114.94 112.45 3kf3 s ASN 213 Ca -0.17 -0.33 0.11 0.00 -0.71 0.00 0.00 52.86 51.76 3kf3 s ASN 213 Cb 0.05 -1.78 -0.04 0.00 0.41 0.00 0.00 41.25 39.90 3kf3 s ASN 213 CO 0.26 -0.00 -0.27 0.26 -1.51 0.00 0.00 177.10 175.84 3kf3 s TRP 214 N 1.40 2.32 -0.05 2.20 0.52 -1.26 -4.31 118.94 119.75 3kf3 s TRP 214 Ca 0.05 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 55.82 3kf3 s TRP 214 Cb -0.14 -1.29 0.00 0.00 -1.15 0.00 0.00 33.47 30.89 3kf3 s TRP 214 CO -0.01 0.29 -0.17 0.08 0.02 0.00 0.00 176.95 177.16 3kf3 s VAL 215 N -1.00 1.42 -0.17 4.03 1.01 -0.32 -4.96 120.40 120.41 3kf3 s VAL 215 Ca 0.14 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 3kf3 s VAL 215 Cb -0.10 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 3kf3 s VAL 215 CO 0.05 0.41 1.23 -0.22 0.00 0.00 0.00 175.10 176.57 3kf3 s LEU 216 N 0.23 4.17 -0.25 3.92 2.96 -1.26 -0.96 118.68 127.49 3kf3 s LEU 216 Ca -0.08 1.64 0.01 0.00 -0.22 0.00 0.00 54.13 55.48 3kf3 s LEU 216 Cb -0.13 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.84 3kf3 s LEU 216 CO 0.03 -0.74 -0.17 0.59 -1.32 0.00 0.00 176.35 174.74 3kf3 n ASN 217 N 6.52 2.00 -3.63 3.68 3.02 0.73 -4.97 115.26 122.62 3kf3 n ASN 217 Ca 0.13 -0.09 -0.09 0.00 -0.03 0.00 0.00 54.58 54.50 3kf3 n ASN 217 Cb 0.45 -0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 39.13 3kf3 n ASN 217 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kf3 s SER 218 N -6.60 -0.39 -0.03 6.41 1.04 -1.06 -4.86 113.70 108.21 3kf3 s SER 218 Ca -0.34 -0.27 0.07 0.00 0.48 0.00 0.00 55.95 55.90 3kf3 s SER 218 Cb 0.09 0.61 -0.02 0.00 0.10 0.00 0.00 66.02 66.80 3kf3 s SER 218 CO 0.62 -1.06 -0.24 0.20 0.98 0.00 0.00 173.24 173.73 3kf3 s ASN 219 N -2.80 3.22 -0.08 7.02 0.01 -1.26 -0.96 114.94 120.09 3kf3 s ASN 219 Ca 0.06 -0.43 0.03 0.00 -0.71 0.00 0.00 52.86 51.82 3kf3 s ASN 219 Cb -0.03 -0.49 0.01 0.00 0.41 0.00 0.00 41.25 41.15 3kf3 s ASN 219 CO -0.04 0.31 -0.18 0.12 -1.51 0.00 0.00 177.10 175.81 3kf3 s PHE 220 N -0.57 1.98 -0.04 2.20 5.36 0.27 -4.97 117.98 122.20 3kf3 s PHE 220 Ca 0.08 -0.76 -0.01 0.00 -0.96 0.00 0.00 56.93 55.28 3kf3 s PHE 220 Cb -0.11 -1.37 0.03 0.00 -0.34 0.00 0.00 43.02 41.24 3kf3 s PHE 220 CO -0.00 -0.33 0.04 -1.12 -1.46 0.00 0.00 175.22 172.35 3kf3 s SER 221 N 0.45 1.05 0.14 6.13 0.01 -1.26 -0.75 113.70 119.46 3kf3 s SER 221 Ca -0.15 0.02 -0.17 0.00 1.31 0.00 0.00 55.95 56.96 3kf3 s SER 221 Cb -0.16 -0.22 0.06 0.00 0.21 0.00 0.00 66.02 65.91 3kf3 s SER 221 CO 0.06 -0.21 0.80 -0.24 0.41 0.00 0.00 173.24 174.06 3kf3 n SER 222 N 5.00 -1.32 0.00 2.44 2.88 -1.26 -5.11 113.62 116.25 3kf3 n SER 222 Ca -0.09 -1.68 0.00 0.00 -1.33 0.00 0.00 58.87 55.76 3kf3 n SER 222 Cb 0.50 2.15 0.00 0.00 -0.75 0.00 0.00 64.21 66.11 3kf3 n SER 222 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kf3 n GLY 223 N -0.56 -0.07 3.64 0.46 0.00 -1.26 -4.59 105.19 102.80 3kf3 n GLY 223 Ca -0.02 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 3kf3 n GLY 223 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kf3 s TYR 224 N 0.00 3.29 0.04 1.61 5.04 -1.26 -4.95 117.35 121.11 3kf3 s TYR 224 Ca 0.00 1.01 -0.17 0.00 -2.44 0.00 0.00 57.07 55.47 3kf3 s TYR 224 Cb 0.00 -3.00 -0.27 0.00 0.35 0.00 0.00 41.96 39.04 3kf3 s TYR 224 CO 0.00 -0.39 1.10 1.88 -1.34 0.00 0.00 175.55 176.79 3kf3 h TYR 225 N 7.78 0.88 0.00 4.97 -1.99 -1.93 -3.48 116.97 123.20 3kf3 h TYR 225 Ca -0.24 -0.53 0.00 0.00 2.00 0.00 0.00 58.73 59.96 3kf3 h TYR 225 Cb 1.10 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.75 3kf3 h TYR 225 CO 0.76 1.37 0.00 0.41 -0.00 0.00 0.00 178.16 180.70 3kf3 n GLY 226 N 1.28 1.19 0.16 3.88 0.00 -1.26 -3.60 105.19 106.84 3kf3 n GLY 226 Ca -0.12 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 3kf3 n GLY 226 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3kf3 h ASN 227 N 6.16 0.87 -4.50 1.61 -1.24 -1.45 -3.48 115.58 113.54 3kf3 h ASN 227 Ca 0.00 -0.89 -0.09 0.00 0.71 0.00 0.00 56.30 56.03 3kf3 h ASN 227 Cb 0.00 -0.28 -0.21 0.00 0.73 0.00 0.00 38.32 38.56 3kf3 h ASN 227 CO 0.00 1.69 -0.08 -1.10 -1.29 0.00 0.00 177.43 176.65 3kf3 s GLN 228 N -2.71 0.74 0.05 6.67 -0.21 -1.24 -4.82 119.66 118.14 3kf3 s GLN 228 Ca -0.09 0.34 -0.25 0.00 0.02 0.00 0.00 55.36 55.37 3kf3 s GLN 228 Cb 0.04 0.35 -0.06 0.00 1.00 0.00 0.00 33.01 34.35 3kf3 s GLN 228 CO 0.95 -0.17 0.78 0.71 -2.12 0.00 0.00 175.29 175.43 3kf3 s TYR 229 N -0.56 3.74 0.10 0.91 1.51 -0.49 -2.96 117.35 119.60 3kf3 s TYR 229 Ca -0.07 1.49 -0.01 0.00 -1.01 0.00 0.00 57.07 57.47 3kf3 s TYR 229 Cb -0.03 -2.83 -0.04 0.00 -0.11 0.00 0.00 41.96 38.95 3kf3 s TYR 229 CO 0.04 0.27 0.02 -1.21 -1.11 0.00 0.00 175.55 173.57 3kf3 s GLU 230 N -0.07 0.79 -0.55 -0.62 2.02 0.25 -4.24 118.70 116.28 3kf3 s GLU 230 Ca 0.39 -1.34 -0.02 0.00 0.02 0.00 0.00 54.97 54.02 3kf3 s GLU 230 Cb -0.21 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.26 3kf3 s GLU 230 CO 0.23 -0.20 0.39 0.00 0.02 0.00 0.00 175.26 175.70 3kf3 s PRO 232 N -4.12 3.01 0.00 0.00 0.04 -1.26 -3.59 135.00 129.08 3kf3 s PRO 232 Ca 0.02 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 61.76 3kf3 s PRO 232 Cb -0.01 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.53 3kf3 s PRO 232 CO 0.58 -1.01 0.24 0.20 0.04 0.00 0.00 177.00 177.06 3kf3 s GLY 233 N -3.97 -0.06 -0.07 0.56 0.00 -0.24 -4.42 107.32 99.11 3kf3 s GLY 233 Ca 0.57 0.07 -0.03 0.00 0.00 0.00 0.00 44.72 45.34 3kf3 s GLY 233 CO 0.54 -0.11 0.13 -2.27 0.00 0.00 0.00 173.10 171.39 3kf3 s LEU 234 N -1.53 0.19 -0.10 0.66 2.96 -1.26 0.16 118.68 119.78 3kf3 s LEU 234 Ca -0.12 0.27 -0.28 0.00 -0.22 0.00 0.00 54.13 53.78 3kf3 s LEU 234 Cb -0.05 0.20 0.06 0.00 0.50 0.00 0.00 46.19 46.91 3kf3 s LEU 234 CO 0.02 -0.22 0.65 -0.51 -1.32 0.00 0.00 176.35 174.96 3kf3 s ILE 235 N 1.97 0.01 -0.15 6.68 2.07 -0.82 -4.97 121.20 125.99 3kf3 s ILE 235 Ca 0.00 -0.04 -0.29 0.00 -1.41 0.00 0.00 60.65 58.91 3kf3 s ILE 235 Cb -0.12 -0.95 -0.02 0.00 0.13 0.00 0.00 42.46 41.50 3kf3 s ILE 235 CO -0.05 -0.02 1.31 -1.61 -1.91 0.00 0.00 174.94 172.66 3kf3 s GLU 236 N -0.83 4.23 -0.18 3.50 2.02 -1.26 -0.99 118.70 125.19 3kf3 s GLU 236 Ca -0.09 1.73 -0.05 0.00 0.02 0.00 0.00 54.97 56.59 3kf3 s GLU 236 Cb -0.02 -3.79 -0.03 0.00 0.10 0.00 0.00 34.13 30.39 3kf3 s GLU 236 CO 0.07 -0.72 -0.01 0.08 0.02 0.00 0.00 175.26 174.70 3kf3 s VAL 237 N 3.56 4.06 0.29 2.63 1.01 0.68 -4.84 120.40 127.79 3kf3 s VAL 237 Ca 0.57 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 3kf3 s VAL 237 Cb -0.23 -2.81 -0.10 0.00 0.00 0.00 0.00 36.38 33.24 3kf3 s VAL 237 CO 0.17 0.46 1.33 -2.16 0.00 0.00 0.00 175.10 174.90 3kf3 s PRO 238 N 0.62 4.35 0.04 2.72 0.04 -1.26 -1.80 135.00 139.71 3kf3 s PRO 238 Ca -0.01 2.20 -0.25 0.00 0.04 0.00 0.00 61.00 62.98 3kf3 s PRO 238 Cb -0.14 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 3kf3 s PRO 238 CO 0.02 -0.24 0.77 0.42 0.04 0.00 0.00 177.00 178.01 3kf3 s ILE 239 N -0.68 4.75 0.37 0.56 1.01 -0.97 -0.83 121.20 125.42 3kf3 s ILE 239 Ca 0.52 1.63 -0.28 0.00 0.00 0.00 0.00 60.65 62.53 3kf3 s ILE 239 Cb -0.40 -4.12 -0.10 0.00 0.01 0.00 0.00 42.46 37.86 3kf3 s ILE 239 CO 0.48 0.35 1.38 -1.61 0.00 0.00 0.00 174.94 175.55 3kf3 s GLU 240 N 0.01 4.12 -1.55 2.79 2.02 -0.36 -2.53 118.70 123.21 3kf3 s GLU 240 Ca 0.39 2.35 -0.03 0.00 0.02 0.00 0.00 54.97 57.70 3kf3 s GLU 240 Cb -0.20 -2.93 0.01 0.00 0.10 0.00 0.00 34.13 31.11 3kf3 s GLU 240 CO 0.23 -0.44 0.31 0.09 0.02 0.00 0.00 175.26 175.47 3kf3 n ASN 241 N 0.44 -5.55 -3.87 -0.19 3.02 -1.26 -4.97 115.26 102.87 3kf3 n ASN 241 Ca 0.02 -0.14 -0.09 0.00 -0.03 0.00 0.00 54.58 54.33 3kf3 n ASN 241 Cb 0.41 -4.56 -0.08 0.00 -0.61 0.00 0.00 39.78 34.94 3kf3 n ASN 241 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3kf3 s SER 242 N -2.40 0.12 0.14 6.41 0.15 -1.05 -5.02 113.70 112.05 3kf3 s SER 242 Ca 0.17 -0.56 0.23 0.00 0.70 0.00 0.00 55.95 56.49 3kf3 s SER 242 Cb -0.08 0.30 0.10 0.00 -1.71 0.00 0.00 66.02 64.63 3kf3 s SER 242 CO 0.21 -0.64 1.10 0.47 1.20 0.00 0.00 173.24 175.58 3kf3 n ASP 243 N 0.29 0.73 -4.89 5.45 8.00 -1.26 -4.70 116.55 120.18 3kf3 n ASP 243 Ca -0.17 0.15 -0.30 0.00 0.71 0.00 0.00 54.79 55.19 3kf3 n ASP 243 Cb 0.61 0.48 0.04 0.00 -0.02 0.00 0.00 41.12 42.23 3kf3 n ASP 243 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kf3 s LYS 244 N -3.28 2.96 0.19 -1.24 -0.14 -1.26 -4.96 119.74 112.01 3kf3 s LYS 244 Ca 0.02 0.45 -0.02 0.00 -1.36 0.00 0.00 55.97 55.05 3kf3 s LYS 244 Cb 0.12 -2.06 -0.04 0.00 -1.68 0.00 0.00 37.83 34.17 3kf3 s LYS 244 CO 0.78 -0.94 0.16 -1.54 -0.76 0.00 0.00 175.35 173.05 3kf3 s SER 245 N -4.33 0.14 0.20 2.83 1.04 -1.26 -2.29 113.70 110.03 3kf3 s SER 245 Ca 0.57 -1.30 0.11 0.00 0.48 0.00 0.00 55.95 55.81 3kf3 s SER 245 Cb -0.11 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 3kf3 s SER 245 CO 0.51 -0.86 -0.19 -0.54 0.98 0.00 0.00 173.24 173.14 3kf3 s LYS 246 N -4.12 1.69 -0.04 4.02 -0.14 -0.74 -4.92 119.74 115.48 3kf3 s LYS 246 Ca 0.35 -1.48 -0.29 0.00 -1.36 0.00 0.00 55.97 53.19 3kf3 s LYS 246 Cb 0.06 -1.93 -0.02 0.00 -1.68 0.00 0.00 37.83 34.26 3kf3 s LYS 246 CO 0.10 0.40 0.96 -1.58 -0.76 0.00 0.00 175.35 174.47 3kf3 s TRP 247 N -1.76 3.60 -0.17 3.18 0.52 -0.49 -0.23 118.94 123.60 3kf3 s TRP 247 Ca 0.23 1.62 -0.01 0.00 0.02 0.00 0.00 56.10 57.96 3kf3 s TRP 247 Cb -0.08 -3.11 -0.00 0.00 -1.15 0.00 0.00 33.47 29.12 3kf3 s TRP 247 CO 0.12 -0.07 -0.13 0.08 0.02 0.00 0.00 176.95 176.97 3kf3 s VAL 248 N 1.32 2.86 -0.22 4.03 1.01 -0.17 -0.35 120.40 128.89 3kf3 s VAL 248 Ca 0.49 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 3kf3 s VAL 248 Cb -0.20 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3kf3 s VAL 248 CO 0.24 0.50 0.45 -0.32 0.00 0.00 0.00 175.10 175.96 3kf3 s MET 249 N 0.91 4.15 0.08 2.72 1.75 0.07 -1.94 119.30 127.04 3kf3 s MET 249 Ca -0.03 0.26 0.01 0.00 -1.25 0.00 0.00 55.69 54.68 3kf3 s MET 249 Cb -0.15 -3.57 -0.04 0.00 2.84 0.00 0.00 34.83 33.91 3kf3 s MET 249 CO -0.01 -0.14 0.21 -0.06 -0.65 0.00 0.00 175.02 174.37 3kf3 s PHE 250 N 1.62 3.47 -0.23 4.11 0.40 0.43 -0.83 117.98 126.95 3kf3 s PHE 250 Ca 0.20 0.20 -0.12 0.00 -0.60 0.00 0.00 56.93 56.62 3kf3 s PHE 250 Cb -0.15 -1.72 0.08 0.00 0.51 0.00 0.00 43.02 41.74 3kf3 s PHE 250 CO 0.09 0.57 0.56 -1.17 0.70 0.00 0.00 175.22 175.96 3kf3 s LEU 251 N -2.66 -0.64 -0.11 -0.37 2.96 -0.45 -1.08 118.68 116.33 3kf3 s LEU 251 Ca 0.34 1.25 -0.07 0.00 -0.22 0.00 0.00 54.13 55.43 3kf3 s LEU 251 Cb -0.12 1.90 -0.04 0.00 0.50 0.00 0.00 46.19 48.42 3kf3 s LEU 251 CO 0.27 -0.22 0.15 0.00 -1.32 0.00 0.00 176.35 175.24 3kf3 s ALA 252 N 1.83 3.88 -0.01 5.97 0.00 -0.13 -0.24 121.76 133.05 3kf3 s ALA 252 Ca -0.08 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 51.29 3kf3 s ALA 252 Cb -0.08 -1.98 -0.01 0.00 0.00 0.00 0.00 23.12 21.05 3kf3 s ALA 252 CO -0.17 0.62 -0.13 0.96 0.00 0.00 0.00 175.76 177.04 3kf3 s ILE 253 N -1.05 1.03 -0.28 0.00 -4.36 -0.31 0.84 121.20 117.07 3kf3 s ILE 253 Ca 0.16 -0.59 -0.23 0.00 -0.26 0.00 0.00 60.65 59.73 3kf3 s ILE 253 Cb -0.12 -0.86 0.12 0.00 1.25 0.00 0.00 42.46 42.84 3kf3 s ILE 253 CO 0.05 0.26 0.95 0.21 0.24 0.00 0.00 174.94 176.66 3kf3 s ASN 254 N -0.38 -0.54 0.32 4.36 2.47 -1.16 -1.93 114.94 118.10 3kf3 s ASN 254 Ca 0.05 0.99 0.00 0.00 0.42 0.00 0.00 52.86 54.32 3kf3 s ASN 254 Cb -0.05 1.05 0.00 0.00 -1.45 0.00 0.00 41.25 40.80 3kf3 s ASN 254 CO -0.00 -0.17 0.00 -0.81 -3.72 0.00 0.00 177.10 172.40 3kf3 n PRO 255 N 2.65 0.52 -0.27 0.43 -0.04 -1.26 -3.85 135.00 133.18 3kf3 n PRO 255 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 3kf3 n PRO 255 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 3kf3 n PRO 255 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kf3 n GLY 256 N 3.71 0.86 3.76 0.55 0.00 -1.08 -1.30 105.19 111.70 3kf3 n GLY 256 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3kf3 n GLY 256 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kf3 n SER 257 N 0.00 3.21 0.31 1.61 2.88 -0.42 -4.38 113.62 116.83 3kf3 n SER 257 Ca 0.00 1.09 0.19 0.00 -1.33 0.00 0.00 58.87 58.82 3kf3 n SER 257 Cb 0.00 -1.60 1.02 0.00 -0.75 0.00 0.00 64.21 62.88 3kf3 n SER 257 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3kf3 h PRO 258 N 2.11 0.00 -0.01 -1.46 0.11 -1.97 0.13 132.00 130.91 3kf3 h PRO 258 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kf3 h PRO 258 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kf3 h PRO 258 CO 0.60 0.02 -0.07 1.28 -0.21 0.00 0.00 178.00 179.62 3kf3 n LEU 259 N -3.30 1.32 -0.09 2.35 4.32 -1.26 -5.02 117.00 115.33 3kf3 n LEU 259 Ca -0.02 -0.42 0.00 0.00 -0.02 0.00 0.00 56.01 55.55 3kf3 n LEU 259 Cb 0.13 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 3kf3 n LEU 259 CO 0.24 0.23 0.00 0.61 -1.22 0.00 0.00 177.39 177.25 3kf3 n GLY 260 N 1.22 0.09 4.91 -0.72 0.00 0.46 -4.97 105.19 106.17 3kf3 n GLY 260 Ca 0.17 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3kf3 n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kf3 n GLY 261 N 2.13 1.58 3.57 -0.02 0.00 -1.26 -4.72 105.19 106.47 3kf3 n GLY 261 Ca 0.00 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 3kf3 n GLY 261 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kf3 s SER 262 N -4.00 4.52 0.07 1.61 1.04 -1.26 -1.30 113.70 114.37 3kf3 s SER 262 Ca 0.00 -0.13 -0.26 0.00 0.48 0.00 0.00 55.95 56.03 3kf3 s SER 262 Cb 0.00 -1.05 0.07 0.00 0.10 0.00 0.00 66.02 65.14 3kf3 s SER 262 CO 0.00 0.31 0.65 -0.51 0.98 0.00 0.00 173.24 174.67 3kf3 s ILE 263 N -0.91 0.00 -0.09 -1.02 2.07 -0.81 -4.79 121.20 115.64 3kf3 s ILE 263 Ca 0.15 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.37 3kf3 s ILE 263 Cb -0.11 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.45 3kf3 s ILE 263 CO 0.05 0.00 0.01 0.20 -1.91 0.00 0.00 174.94 173.29 3kf3 s ASN 264 N -2.14 5.31 0.34 4.50 0.01 -1.25 -1.16 114.94 120.54 3kf3 s ASN 264 Ca -0.03 0.16 0.04 0.00 -0.71 0.00 0.00 52.86 52.32 3kf3 s ASN 264 Cb -0.01 -1.53 -0.07 0.00 0.41 0.00 0.00 41.25 40.06 3kf3 s ASN 264 CO -0.04 0.37 0.05 0.00 -1.51 0.00 0.00 177.10 175.97 3kf3 s GLN 265 N -0.82 1.70 0.11 -0.60 -2.07 0.66 -1.02 119.66 117.63 3kf3 s GLN 265 Ca 0.13 -1.94 -0.06 0.00 -1.82 0.00 0.00 55.36 51.66 3kf3 s GLN 265 Cb -0.11 -0.98 -0.02 0.00 -1.09 0.00 0.00 33.01 30.81 3kf3 s GLN 265 CO 0.02 -0.17 0.16 1.52 -1.32 0.00 0.00 175.29 175.50 3kf3 s TYR 266 N -3.21 0.44 -0.00 9.60 -0.85 -0.04 -1.33 117.35 121.95 3kf3 s TYR 266 Ca 0.36 -0.85 0.02 0.00 -0.52 0.00 0.00 57.07 56.08 3kf3 s TYR 266 Cb 0.09 -0.20 -0.00 0.00 0.38 0.00 0.00 41.96 42.23 3kf3 s TYR 266 CO 0.16 -0.57 -0.05 -0.06 -1.52 0.00 0.00 175.55 173.51 3kf3 s PHE 267 N -3.94 0.47 -0.15 -3.49 0.08 -0.01 -4.02 117.98 106.92 3kf3 s PHE 267 Ca 0.13 -0.09 -0.02 0.00 0.12 0.00 0.00 56.93 57.07 3kf3 s PHE 267 Cb 0.05 -0.30 -0.02 0.00 -0.57 0.00 0.00 43.02 42.18 3kf3 s PHE 267 CO -0.05 -0.01 -0.08 0.08 -0.10 0.00 0.00 175.22 175.07 3kf3 s VAL 268 N -0.12 3.47 0.00 -0.44 1.01 -1.26 -0.75 120.40 122.31 3kf3 s VAL 268 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3kf3 s VAL 268 Cb -0.02 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.86 3kf3 s VAL 268 CO -0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 3kf3 n GLY 269 N 3.65 2.09 3.36 4.51 0.00 0.52 -0.78 105.19 118.53 3kf3 n GLY 269 Ca -0.18 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 3kf3 n GLY 269 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kf3 s ASP 270 N 2.00 2.72 -0.10 1.61 2.15 -0.09 -1.40 116.67 123.56 3kf3 s ASP 270 Ca 0.00 -0.98 -0.10 0.00 0.43 0.00 0.00 52.55 51.91 3kf3 s ASP 270 Cb 0.00 -0.16 0.03 0.00 -0.30 0.00 0.00 42.92 42.49 3kf3 s ASP 270 CO 0.00 -0.11 0.27 0.12 -0.17 0.00 0.00 175.17 175.28 3kf3 s PHE 271 N -2.66 -0.29 0.00 -5.34 5.36 -1.26 -0.94 117.98 112.86 3kf3 s PHE 271 Ca 0.21 0.69 0.00 0.00 -0.96 0.00 0.00 56.93 56.87 3kf3 s PHE 271 Cb -0.03 0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.75 3kf3 s PHE 271 CO 0.08 -0.16 0.83 -0.40 -1.46 0.00 0.00 175.22 174.11 3kf3 n ASP 272 N 2.84 1.62 0.00 6.13 5.75 -1.21 -4.96 116.55 126.73 3kf3 n ASP 272 Ca -0.13 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 3kf3 n ASP 272 Cb 0.58 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 3kf3 n ASP 272 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kf3 n GLY 273 N -0.34 0.13 1.57 6.12 0.00 -1.26 -4.66 105.19 106.75 3kf3 n GLY 273 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kf3 n GLY 273 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kf3 n PHE 274 N -1.86 -0.13 -5.05 1.61 3.01 -1.26 -4.90 117.46 108.88 3kf3 n PHE 274 Ca 0.00 0.02 -0.28 0.00 1.01 0.00 0.00 57.45 58.20 3kf3 n PHE 274 Cb 0.00 0.29 -0.16 0.00 -0.01 0.00 0.00 39.48 39.60 3kf3 n PHE 274 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3kf3 s GLN 275 N -2.00 1.84 -0.18 -1.08 -2.07 -1.26 -3.84 119.66 111.07 3kf3 s GLN 275 Ca 0.00 -0.76 -0.15 0.00 -1.82 0.00 0.00 55.36 52.63 3kf3 s GLN 275 Cb 0.00 -1.72 -0.04 0.00 -1.09 0.00 0.00 33.01 30.16 3kf3 s GLN 275 CO 0.00 0.42 0.36 0.12 -1.32 0.00 0.00 175.29 174.87 3kf3 s PHE 276 N -0.38 3.42 -0.27 9.60 5.36 -1.26 -3.28 117.98 131.16 3kf3 s PHE 276 Ca 0.05 0.63 0.03 0.00 -0.96 0.00 0.00 56.93 56.67 3kf3 s PHE 276 Cb -0.09 -2.46 0.06 0.00 -0.34 0.00 0.00 43.02 40.19 3kf3 s PHE 276 CO 0.00 0.09 -0.09 0.08 -1.46 0.00 0.00 175.22 173.85 3kf3 s VAL 277 N 0.95 2.10 0.60 3.12 1.01 -0.11 -4.99 120.40 123.08 3kf3 s VAL 277 Ca 0.19 -1.66 -0.17 0.00 0.00 0.00 0.00 61.98 60.33 3kf3 s VAL 277 Cb -0.14 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 3kf3 s VAL 277 CO 0.07 -0.10 1.12 -2.16 0.00 0.00 0.00 175.10 174.03 3kf3 s PRO 278 N 1.12 3.07 0.32 2.72 0.04 -1.26 -0.91 135.00 140.09 3kf3 s PRO 278 Ca -0.07 1.52 0.09 0.00 0.04 0.00 0.00 61.00 62.59 3kf3 s PRO 278 Cb -0.20 -1.98 0.53 0.00 0.04 0.00 0.00 34.50 32.90 3kf3 s PRO 278 CO -0.06 -1.06 1.73 -0.44 0.04 0.00 0.00 177.00 177.22 3kf3 h ASP 279 N 0.64 0.14 -3.24 6.66 3.32 -1.30 -3.46 116.42 119.18 3kf3 h ASP 279 Ca -0.49 -0.06 -0.21 0.00 0.02 0.00 0.00 57.03 56.30 3kf3 h ASP 279 Cb 1.26 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 3kf3 h ASP 279 CO 0.55 0.55 -0.19 -0.90 -1.72 0.00 0.00 179.24 177.53 3kf3 n ASP 280 N -4.03 -0.38 -0.93 6.45 3.85 -1.26 -5.07 116.55 115.18 3kf3 n ASP 280 Ca -0.02 -2.01 -0.00 0.00 -0.71 0.00 0.00 54.79 52.05 3kf3 n ASP 280 Cb 0.47 0.85 0.19 0.00 -1.35 0.00 0.00 41.12 41.28 3kf3 n ASP 280 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3kf3 n SER 281 N -2.30 2.27 -4.86 -1.12 3.41 -1.26 -4.96 113.62 104.79 3kf3 n SER 281 Ca 0.03 -3.86 -0.32 0.00 -0.26 0.00 0.00 58.87 54.47 3kf3 n SER 281 Cb 0.28 -0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 63.62 3kf3 n SER 281 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kf3 s GLN 282 N -3.28 3.91 -0.19 4.33 -2.07 -1.26 -4.86 119.66 116.24 3kf3 s GLN 282 Ca 0.42 0.59 -0.11 0.00 -1.82 0.00 0.00 55.36 54.44 3kf3 s GLN 282 Cb 0.39 -2.42 -0.05 0.00 -1.09 0.00 0.00 33.01 29.84 3kf3 s GLN 282 CO -0.04 0.09 0.16 0.99 -1.32 0.00 0.00 175.29 175.17 3kf3 s THR 283 N -2.13 5.39 -0.03 3.63 2.01 -1.26 -4.87 115.64 118.39 3kf3 s THR 283 Ca 0.53 0.26 -0.03 0.00 0.31 0.00 0.00 61.69 62.75 3kf3 s THR 283 Cb -0.10 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 68.91 3kf3 s THR 283 CO 0.23 0.43 0.08 -0.13 -0.69 0.00 0.00 174.62 174.54 3kf3 s ARG 284 N 0.37 0.16 0.06 4.92 0.52 -1.26 -5.06 118.95 118.66 3kf3 s ARG 284 Ca 0.10 0.01 -0.05 0.00 -0.52 0.00 0.00 55.73 55.27 3kf3 s ARG 284 Cb -0.11 0.07 -0.05 0.00 0.52 0.00 0.00 34.95 35.38 3kf3 s ARG 284 CO -0.01 -0.03 0.30 -0.06 0.02 0.00 0.00 175.30 175.52 3kf3 s PHE 285 N -0.21 3.53 0.07 -0.53 0.40 -1.26 -0.86 117.98 119.13 3kf3 s PHE 285 Ca -0.03 0.51 -0.17 0.00 -0.60 0.00 0.00 56.93 56.65 3kf3 s PHE 285 Cb -0.02 -1.95 -0.12 0.00 0.51 0.00 0.00 43.02 41.43 3kf3 s PHE 285 CO 0.00 0.55 1.36 0.28 0.70 0.00 0.00 175.22 178.11 3kf3 h VAL 286 N 2.53 1.33 -3.30 -0.44 2.07 -1.36 -3.45 116.25 113.62 3kf3 h VAL 286 Ca -0.48 -1.51 -0.25 0.00 0.82 0.00 0.00 66.70 65.28 3kf3 h VAL 286 Cb 1.18 1.79 -0.32 0.00 -1.52 0.00 0.00 31.29 32.42 3kf3 h VAL 286 CO 0.70 0.47 -0.62 -0.62 0.02 0.00 0.00 177.57 177.52 3kf3 s ASP 287 N -6.49 -0.08 -0.32 0.57 -1.08 -1.26 -4.49 116.67 103.53 3kf3 s ASP 287 Ca -0.13 0.25 0.09 0.00 -0.52 0.00 0.00 52.55 52.25 3kf3 s ASP 287 Cb 0.07 0.14 0.62 0.00 -1.46 0.00 0.00 42.92 42.29 3kf3 s ASP 287 CO 0.81 -0.15 1.66 2.30 0.52 0.00 0.00 175.17 180.31 3kf3 n ILE 288 N 4.21 2.76 -2.41 4.11 -5.35 -0.58 -4.74 119.36 117.37 3kf3 n ILE 288 Ca -0.27 -2.11 -0.25 0.00 -0.27 0.00 0.00 62.75 59.85 3kf3 n ILE 288 Cb 0.51 -0.35 0.13 0.00 -1.74 0.00 0.00 39.64 38.19 3kf3 n ILE 288 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kf3 s GLY 289 N -1.75 1.76 0.28 3.28 0.00 -1.26 -4.85 107.32 104.78 3kf3 s GLY 289 Ca 0.50 -1.60 0.15 0.00 0.00 0.00 0.00 44.72 43.76 3kf3 s GLY 289 CO 0.08 -0.97 1.44 1.70 0.00 0.00 0.00 173.10 175.35 3kf3 h LYS 290 N -0.85 0.00 -2.25 2.90 1.63 -1.85 -3.42 116.57 112.74 3kf3 h LYS 290 Ca -0.38 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 58.82 3kf3 h LYS 290 Cb 1.26 0.00 -0.42 0.00 -0.60 0.00 0.00 32.23 32.47 3kf3 h LYS 290 CO 0.39 0.51 -0.60 -0.25 -3.45 0.00 0.00 179.45 176.05 3kf3 n ASP 291 N -3.23 4.24 -3.35 4.20 8.00 -0.70 -4.38 116.55 121.33 3kf3 n ASP 291 Ca 0.02 -3.59 -0.13 0.00 0.71 0.00 0.00 54.79 51.80 3kf3 n ASP 291 Cb 0.74 -0.61 -0.08 0.00 -0.02 0.00 0.00 41.12 41.15 3kf3 n ASP 291 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3kf3 s PHE 292 N -3.08 -0.76 0.05 1.24 5.36 -1.24 -3.52 117.98 116.02 3kf3 s PHE 292 Ca 0.45 0.09 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 3kf3 s PHE 292 Cb 0.23 -0.30 -0.03 0.00 -0.34 0.00 0.00 43.02 42.58 3kf3 s PHE 292 CO -0.09 -0.96 -0.05 -0.47 -1.46 0.00 0.00 175.22 172.20 3kf3 s TYR 293 N 2.46 0.53 -1.42 10.12 5.04 -0.55 -3.79 117.35 129.74 3kf3 s TYR 293 Ca 0.10 -0.75 -0.10 0.00 -2.44 0.00 0.00 57.07 53.88 3kf3 s TYR 293 Cb -0.13 -0.35 0.03 0.00 0.35 0.00 0.00 41.96 41.86 3kf3 s TYR 293 CO -0.31 -0.22 1.08 0.00 -1.34 0.00 0.00 175.55 174.76 3kf3 n ALA 294 N 0.85 -1.27 -1.65 3.97 0.00 -1.26 -0.93 120.51 120.22 3kf3 n ALA 294 Ca -0.19 0.35 -0.44 0.00 0.00 0.00 0.00 53.44 53.16 3kf3 n ALA 294 Cb 0.58 -5.13 -0.02 0.00 0.00 0.00 0.00 19.45 14.88 3kf3 n ALA 294 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kf3 n PHE 295 N -4.88 1.91 -3.98 0.00 7.35 -1.26 -4.30 117.46 112.29 3kf3 n PHE 295 Ca 0.01 0.56 -0.09 0.00 -0.76 0.00 0.00 57.45 57.17 3kf3 n PHE 295 Cb 0.56 -2.38 -0.11 0.00 0.35 0.00 0.00 39.48 37.90 3kf3 n PHE 295 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 3kf3 s GLN 296 N -1.18 0.33 0.13 -4.13 0.74 -0.57 -4.88 119.66 110.09 3kf3 s GLN 296 Ca 0.62 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 55.39 3kf3 s GLN 296 Cb -0.65 0.12 -0.04 0.00 1.10 0.00 0.00 33.01 33.53 3kf3 s GLN 296 CO 0.57 -0.05 0.29 0.95 -0.55 0.00 0.00 175.29 176.49 3kf3 s THR 297 N -1.57 5.31 0.14 -0.34 -4.23 -1.26 -1.83 115.64 111.85 3kf3 s THR 297 Ca -0.15 -0.43 -0.30 0.00 -1.18 0.00 0.00 61.69 59.63 3kf3 s THR 297 Cb -0.09 -3.69 -0.07 0.00 1.34 0.00 0.00 72.50 70.00 3kf3 s THR 297 CO -0.01 -0.01 1.03 -0.36 -0.54 0.00 0.00 174.62 174.73 3kf3 s PHE 298 N -1.67 3.71 0.55 3.99 0.40 -0.16 -4.63 117.98 120.17 3kf3 s PHE 298 Ca 0.36 1.70 -0.15 0.00 -0.60 0.00 0.00 56.93 58.24 3kf3 s PHE 298 Cb -0.12 -3.16 -0.06 0.00 0.51 0.00 0.00 43.02 40.19 3kf3 s PHE 298 CO 0.28 -0.19 1.00 -1.12 0.70 0.00 0.00 175.22 175.90 3kf3 s SER 299 N 0.00 6.43 -0.88 1.36 0.01 -0.46 -4.30 113.70 115.86 3kf3 s SER 299 Ca 0.48 1.55 0.00 0.00 1.31 0.00 0.00 55.95 59.29 3kf3 s SER 299 Cb -0.26 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.47 3kf3 s SER 299 CO 0.32 -0.72 0.00 -0.62 0.41 0.00 0.00 173.24 172.63 3kf3 n GLU 300 N -1.95 -0.77 -3.02 12.44 -0.58 -1.26 -1.43 120.64 124.07 3kf3 n GLU 300 Ca 0.07 0.54 -0.41 0.00 -0.42 0.00 0.00 57.16 56.94 3kf3 n GLU 300 Cb 0.54 -4.57 -0.05 0.00 -0.57 0.00 0.00 31.44 26.79 3kf3 n GLU 300 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3kf3 s VAL 301 N -2.47 4.94 0.07 2.62 1.01 -1.26 -4.62 120.40 120.69 3kf3 s VAL 301 Ca 0.00 1.34 -0.14 0.00 0.00 0.00 0.00 61.98 63.18 3kf3 s VAL 301 Cb 0.00 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 3kf3 s VAL 301 CO 0.00 0.03 0.46 -1.61 0.00 0.00 0.00 175.10 173.98 3kf3 s GLU 302 N 2.32 3.92 -0.20 2.72 0.41 -1.26 -4.65 118.70 121.96 3kf3 s GLU 302 Ca 0.31 0.40 -0.06 0.00 -0.41 0.00 0.00 54.97 55.21 3kf3 s GLU 302 Cb -0.16 -3.08 0.01 0.00 -1.78 0.00 0.00 34.13 29.12 3kf3 s GLU 302 CO 0.09 0.59 0.21 0.72 -0.49 0.00 0.00 175.26 176.38 3kf3 n HIS 303 N 1.25 -1.86 -2.41 1.61 8.25 -1.26 -4.98 115.22 115.82 3kf3 n HIS 303 Ca -0.09 0.77 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 3kf3 n HIS 303 Cb 0.52 -2.81 0.00 0.00 1.12 0.00 0.00 29.99 28.82 3kf3 n HIS 303 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kf3 n GLY 304 N -0.17 -1.68 2.96 -1.41 0.00 -1.26 -4.92 105.19 98.72 3kf3 n GLY 304 Ca 0.04 -1.59 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 3kf3 n GLY 304 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kf3 s VAL 305 N 0.00 0.93 0.04 1.61 1.01 -1.26 -4.85 120.40 117.88 3kf3 s VAL 305 Ca 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.73 3kf3 s VAL 305 Cb 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 3kf3 s VAL 305 CO 0.00 0.32 -0.23 -0.76 0.00 0.00 0.00 175.10 174.42 3kf3 s LEU 306 N 0.92 2.15 0.31 3.92 1.02 -1.26 -0.55 118.68 125.20 3kf3 s LEU 306 Ca -0.10 -0.54 -0.17 0.00 0.02 0.00 0.00 54.13 53.34 3kf3 s LEU 306 Cb -0.15 -1.13 0.03 0.00 0.02 0.00 0.00 46.19 44.96 3kf3 s LEU 306 CO 0.01 0.21 0.68 -0.83 0.02 0.00 0.00 176.35 176.45 3kf3 s GLY 307 N -1.14 0.28 0.27 -3.19 0.00 -0.50 -0.98 107.32 102.06 3kf3 s GLY 307 Ca 0.09 -0.64 -0.18 0.00 0.00 0.00 0.00 44.72 44.00 3kf3 s GLY 307 CO 0.02 -0.32 0.63 0.48 0.00 0.00 0.00 173.10 173.91 3kf3 s LEU 308 N -3.01 -0.04 0.29 0.66 0.05 -0.76 -0.05 118.68 115.83 3kf3 s LEU 308 Ca 0.16 -0.74 0.02 0.00 0.05 0.00 0.00 54.13 53.62 3kf3 s LEU 308 Cb -0.04 2.37 -0.04 0.00 -2.05 0.00 0.00 46.19 46.42 3kf3 s LEU 308 CO 0.10 -1.28 0.12 0.00 -0.55 0.00 0.00 176.35 174.74 3kf3 s ALA 309 N -3.93 1.97 -0.11 1.48 0.00 -1.26 -1.51 121.76 118.40 3kf3 s ALA 309 Ca 0.15 -1.79 -0.29 0.00 0.00 0.00 0.00 51.96 50.04 3kf3 s ALA 309 Cb -0.04 1.03 -0.01 0.00 0.00 0.00 0.00 23.12 24.10 3kf3 s ALA 309 CO 0.08 -0.46 0.99 -0.46 0.00 0.00 0.00 175.76 175.91 3kf3 s TRP 310 N -3.62 3.51 -1.14 0.00 -0.00 -0.10 -0.92 118.94 116.67 3kf3 s TRP 310 Ca 0.36 1.56 -0.04 0.00 -0.00 0.00 0.00 56.10 57.98 3kf3 s TRP 310 Cb 0.06 -3.16 0.18 0.00 -0.00 0.00 0.00 33.47 30.55 3kf3 s TRP 310 CO 0.15 -0.21 2.26 0.00 -0.00 0.00 0.00 176.95 179.15 3kf3 n ALA 311 N 4.97 6.58 -3.30 5.86 0.00 -0.00 -1.49 120.51 133.13 3kf3 n ALA 311 Ca 0.08 -4.12 -0.03 0.00 0.00 0.00 0.00 53.44 49.36 3kf3 n ALA 311 Cb 0.49 -2.53 -0.01 0.00 0.00 0.00 0.00 19.45 17.41 3kf3 n ALA 311 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kf3 n SER 312 N 1.08 -0.46 -3.98 0.00 2.88 -1.23 -4.62 113.62 107.30 3kf3 n SER 312 Ca 0.57 -1.55 -0.20 0.00 -1.33 0.00 0.00 58.87 56.35 3kf3 n SER 312 Cb 0.28 0.83 -0.16 0.00 -0.75 0.00 0.00 64.21 64.41 3kf3 n SER 312 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 3kf3 s ASN 313 N -1.65 1.14 0.60 -3.46 3.84 -1.26 -3.63 114.94 110.52 3kf3 s ASN 313 Ca 0.08 -0.17 0.30 0.00 0.21 0.00 0.00 52.86 53.28 3kf3 s ASN 313 Cb -0.00 -0.36 1.70 0.00 -0.55 0.00 0.00 41.25 42.03 3kf3 s ASN 313 CO 0.06 0.04 2.09 -0.50 -2.79 0.00 0.00 177.10 175.99 3kf3 h TRP 314 N 6.57 0.00 -0.69 0.43 4.06 -1.91 0.67 115.95 125.08 3kf3 h TRP 314 Ca -0.34 0.00 0.07 0.00 2.06 0.00 0.00 58.89 60.68 3kf3 h TRP 314 Cb 1.17 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.29 3kf3 h TRP 314 CO 0.45 0.00 0.45 1.96 -3.56 0.00 0.00 178.44 177.75 3kf3 h GLN 315 N 0.00 0.64 0.00 0.49 4.20 -1.95 -3.35 115.11 115.14 3kf3 h GLN 315 Ca 0.08 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3kf3 h GLN 315 Cb 0.53 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3kf3 h GLN 315 CO -0.00 0.42 0.00 2.48 -0.67 0.00 0.00 178.83 181.06 3kf3 n TYR 316 N -4.48 0.00 -0.31 2.96 0.18 -0.90 -4.90 117.16 109.70 3kf3 n TYR 316 Ca 0.10 0.00 0.17 0.00 1.88 0.00 0.00 57.90 60.05 3kf3 n TYR 316 Cb 0.26 0.01 0.36 0.00 -0.38 0.00 0.00 39.34 39.59 3kf3 n TYR 316 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3kf3 h ALA 317 N 0.00 1.56 -0.28 -3.48 0.00 -1.02 -0.72 119.26 115.32 3kf3 h ALA 317 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kf3 h ALA 317 Cb 0.55 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3kf3 h ALA 317 CO 0.00 -0.47 0.00 -0.40 0.00 0.00 0.00 179.25 178.38 3kf3 n ASP 318 N -5.12 1.80 0.00 0.00 3.85 -1.26 -3.96 116.55 111.86 3kf3 n ASP 318 Ca 0.25 -2.07 0.00 0.00 -0.71 0.00 0.00 54.79 52.27 3kf3 n ASP 318 Cb 0.79 -0.26 0.00 0.00 -1.35 0.00 0.00 41.12 40.29 3kf3 n ASP 318 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3kf3 n GLN 319 N 0.34 5.82 -2.05 0.11 1.13 -0.28 -4.86 117.38 117.58 3kf3 n GLN 319 Ca 0.10 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.79 3kf3 n GLN 319 Cb 0.31 -0.44 0.02 0.00 0.11 0.00 0.00 30.24 30.24 3kf3 n GLN 319 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3kf3 s VAL 320 N -0.88 2.68 -1.51 5.09 -7.23 -1.18 -4.47 120.40 112.90 3kf3 s VAL 320 Ca 0.00 0.47 -0.11 0.00 -1.81 0.00 0.00 61.98 60.53 3kf3 s VAL 320 Cb 0.00 -3.21 -0.01 0.00 0.56 0.00 0.00 36.38 33.72 3kf3 s VAL 320 CO 0.00 -0.05 2.59 -0.81 -0.31 0.00 0.00 175.10 176.52 3kf3 n PRO 321 N -1.13 3.56 -4.39 4.82 -0.04 -1.26 -4.86 135.00 131.70 3kf3 n PRO 321 Ca 0.11 -2.58 -0.28 0.00 -0.04 0.00 0.00 63.50 60.71 3kf3 n PRO 321 Cb 0.48 -2.93 -0.12 0.00 -0.04 0.00 0.00 33.50 30.89 3kf3 n PRO 321 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3kf3 s THR 322 N 1.92 2.37 -0.23 0.52 -4.23 -1.26 -4.98 115.64 109.75 3kf3 s THR 322 Ca 0.59 -1.84 -0.26 0.00 -1.18 0.00 0.00 61.69 59.00 3kf3 s THR 322 Cb 0.16 -2.09 0.09 0.00 1.34 0.00 0.00 72.50 72.01 3kf3 s THR 322 CO -0.07 0.01 0.85 0.21 -0.54 0.00 0.00 174.62 175.09 3kf3 s ASN 323 N -2.31 -0.59 -0.18 3.99 2.47 -1.26 -4.50 114.94 112.56 3kf3 s ASN 323 Ca 0.17 1.02 0.06 0.00 0.42 0.00 0.00 52.86 54.53 3kf3 s ASN 323 Cb -0.09 0.99 0.43 0.00 -1.45 0.00 0.00 41.25 41.13 3kf3 s ASN 323 CO 0.08 -0.28 1.32 -0.81 -3.72 0.00 0.00 177.10 173.69 3kf3 n PRO 324 N 2.03 2.62 -4.36 0.43 -0.04 -1.26 -1.11 135.00 133.32 3kf3 n PRO 324 Ca -0.14 -1.73 -0.18 0.00 -0.04 0.00 0.00 63.50 61.41 3kf3 n PRO 324 Cb 0.56 -1.83 -0.10 0.00 -0.04 0.00 0.00 33.50 32.09 3kf3 n PRO 324 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3kf3 s TRP 325 N -1.93 1.68 -0.01 0.54 -2.14 -1.26 -0.45 118.94 115.36 3kf3 s TRP 325 Ca 0.31 -0.81 0.02 0.00 2.66 0.00 0.00 56.10 58.28 3kf3 s TRP 325 Cb 0.25 -0.95 0.00 0.00 -3.10 0.00 0.00 33.47 29.67 3kf3 s TRP 325 CO 0.08 0.11 -0.06 1.03 -2.66 0.00 0.00 176.95 175.45 3kf3 s ARG 326 N -3.79 0.54 0.00 3.25 0.52 -0.49 -4.60 118.95 114.37 3kf3 s ARG 326 Ca 0.27 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.30 3kf3 s ARG 326 Cb 0.04 -0.54 0.00 0.00 0.52 0.00 0.00 34.95 34.98 3kf3 s ARG 326 CO 0.09 0.08 0.00 0.43 0.02 0.00 0.00 175.30 175.92 3kf3 n SER 327 N 3.18 -0.21 -4.40 0.23 7.64 -1.26 -2.54 113.62 116.26 3kf3 n SER 327 Ca -0.16 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.52 3kf3 n SER 327 Cb 0.56 0.25 -0.10 0.00 -1.01 0.00 0.00 64.21 63.91 3kf3 n SER 327 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3kf3 s SER 328 N -0.53 2.30 0.62 6.43 1.04 -1.26 -4.54 113.70 117.76 3kf3 s SER 328 Ca 0.00 -1.27 -0.06 0.00 0.48 0.00 0.00 55.95 55.11 3kf3 s SER 328 Cb 0.00 -0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.07 3kf3 s SER 328 CO 0.00 -0.49 0.93 0.42 0.98 0.00 0.00 173.24 175.07 3kf3 s THR 329 N -3.25 3.15 0.98 2.02 -4.23 -0.93 -0.82 115.64 112.56 3kf3 s THR 329 Ca 0.32 -0.14 -0.14 0.00 -1.18 0.00 0.00 61.69 60.55 3kf3 s THR 329 Cb 0.06 -3.28 0.18 0.00 1.34 0.00 0.00 72.50 70.80 3kf3 s THR 329 CO 0.12 -0.28 1.16 -0.94 -0.54 0.00 0.00 174.62 174.14 3kf3 s SER 330 N -4.38 2.86 0.78 3.99 1.04 -0.10 -4.52 113.70 113.38 3kf3 s SER 330 Ca 0.56 0.78 -0.13 0.00 0.48 0.00 0.00 55.95 57.64 3kf3 s SER 330 Cb -0.11 -1.19 0.07 0.00 0.10 0.00 0.00 66.02 64.89 3kf3 s SER 330 CO 0.44 -2.94 1.17 -0.76 0.98 0.00 0.00 173.24 172.14 3kf3 s LEU 331 N -6.21 3.15 0.31 2.42 1.43 -1.26 -4.71 118.68 113.81 3kf3 s LEU 331 Ca 0.67 2.22 -0.29 0.00 -1.03 0.00 0.00 54.13 55.70 3kf3 s LEU 331 Cb -0.12 -4.57 -0.10 0.00 0.03 0.00 0.00 46.19 41.43 3kf3 s LEU 331 CO 0.54 -2.43 1.41 0.00 0.23 0.00 0.00 176.35 176.10 3kf3 s ALA 332 N -2.31 3.58 0.15 4.21 0.00 -1.26 -4.63 121.76 121.49 3kf3 s ALA 332 Ca 0.70 1.37 0.09 0.00 0.00 0.00 0.00 51.96 54.12 3kf3 s ALA 332 Cb -0.25 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 3kf3 s ALA 332 CO 0.50 -0.78 -0.20 1.03 0.00 0.00 0.00 175.76 176.31 3kf3 s ARG 333 N -1.25 1.25 -0.23 0.00 0.52 0.93 -0.24 118.95 119.93 3kf3 s ARG 333 Ca 0.54 -1.34 -0.06 0.00 -0.52 0.00 0.00 55.73 54.35 3kf3 s ARG 333 Cb -0.42 -1.41 -0.02 0.00 0.52 0.00 0.00 34.95 33.61 3kf3 s ARG 333 CO 0.51 0.30 0.02 1.21 0.02 0.00 0.00 175.30 177.37 3kf3 s ASN 334 N -2.42 4.81 -0.18 0.23 3.84 0.11 -1.41 114.94 119.92 3kf3 s ASN 334 Ca 0.13 -0.27 -0.06 0.00 0.21 0.00 0.00 52.86 52.88 3kf3 s ASN 334 Cb -0.07 -1.85 -0.03 0.00 -0.55 0.00 0.00 41.25 38.74 3kf3 s ASN 334 CO 0.06 -0.02 0.02 -0.31 -2.79 0.00 0.00 177.10 174.07 3kf3 s TYR 335 N 1.48 3.14 0.28 0.43 1.51 0.29 -1.95 117.35 122.53 3kf3 s TYR 335 Ca 0.06 -0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.00 3kf3 s TYR 335 Cb -0.15 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 3kf3 s TYR 335 CO 0.01 0.01 0.18 0.95 -1.11 0.00 0.00 175.55 175.59 3kf3 s THR 336 N 0.52 0.17 -0.05 -0.71 -4.23 -0.65 -4.07 115.64 106.62 3kf3 s THR 336 Ca 0.00 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 3kf3 s THR 336 Cb -0.13 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.18 3kf3 s THR 336 CO 0.02 0.00 -0.23 -0.76 -0.54 0.00 0.00 174.62 173.11 3kf3 s LEU 337 N -3.32 2.20 -0.03 4.79 1.43 -0.01 -0.58 118.68 123.16 3kf3 s LEU 337 Ca 0.38 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 3kf3 s LEU 337 Cb 0.05 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.87 3kf3 s LEU 337 CO 0.18 0.28 0.09 -0.60 0.23 0.00 0.00 176.35 176.53 3kf3 s ARG 338 N -0.34 0.10 -0.40 1.70 3.52 -0.64 -1.22 118.95 121.67 3kf3 s ARG 338 Ca 0.02 0.13 -0.29 0.00 -0.13 0.00 0.00 55.73 55.46 3kf3 s ARG 338 Cb -0.12 0.04 0.01 0.00 -1.56 0.00 0.00 34.95 33.32 3kf3 s ARG 338 CO 0.02 -0.02 1.32 0.71 -0.81 0.00 0.00 175.30 176.52 3kf3 s TYR 339 N 0.09 2.57 0.10 5.12 1.51 -1.26 -0.66 117.35 124.82 3kf3 s TYR 339 Ca -0.00 0.74 0.09 0.00 -1.01 0.00 0.00 57.07 56.88 3kf3 s TYR 339 Cb -0.01 -4.23 -0.03 0.00 -0.11 0.00 0.00 41.96 37.58 3kf3 s TYR 339 CO -0.00 -1.74 -0.22 0.14 -1.11 0.00 0.00 175.55 172.61 3kf3 s VAL 340 N 4.94 1.80 -0.08 0.71 -7.23 -0.62 -4.87 120.40 115.06 3kf3 s VAL 340 Ca 0.57 -1.54 -0.30 0.00 -1.81 0.00 0.00 61.98 58.91 3kf3 s VAL 340 Cb -0.13 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 3kf3 s VAL 340 CO 0.30 0.00 1.59 -1.00 -0.31 0.00 0.00 175.10 175.68 3kf3 s HIS 341 N -1.10 2.12 -0.14 2.82 3.76 -1.26 -0.98 115.29 120.52 3kf3 s HIS 341 Ca 0.08 0.34 0.20 0.00 -0.15 0.00 0.00 55.06 55.53 3kf3 s HIS 341 Cb -0.10 -3.85 -0.17 0.00 1.11 0.00 0.00 32.58 29.57 3kf3 s HIS 341 CO 0.04 -3.47 0.69 0.25 -0.85 0.00 0.00 174.74 171.40 3kf3 n THR 342 N 5.50 0.68 -4.31 1.30 -2.24 -0.77 -4.47 114.28 109.97 3kf3 n THR 342 Ca 0.17 -0.61 -0.20 0.00 -2.27 0.00 0.00 64.05 61.13 3kf3 n THR 342 Cb 0.43 -0.36 -0.08 0.00 -2.10 0.00 0.00 70.33 68.22 3kf3 n THR 342 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3kf3 n ASN 343 N -2.61 -0.57 0.18 3.42 0.23 -1.21 -4.76 115.26 109.94 3kf3 n ASN 343 Ca -0.08 -3.24 0.05 0.00 -0.53 0.00 0.00 54.58 50.78 3kf3 n ASN 343 Cb 0.71 1.66 0.50 0.00 -2.08 0.00 0.00 39.78 40.56 3kf3 n ASN 343 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kf3 h ALA 344 N 2.06 1.72 0.00 -2.53 0.00 -2.02 -3.19 119.26 115.30 3kf3 h ALA 344 Ca -0.25 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.31 3kf3 h ALA 344 Cb 1.23 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3kf3 h ALA 344 CO 0.36 0.21 -1.74 0.39 0.00 0.00 0.00 179.25 178.48 3kf3 n GLU 345 N -4.37 0.64 -4.78 0.00 -0.58 -1.26 -5.00 120.64 105.29 3kf3 n GLU 345 Ca -0.02 0.17 -0.25 0.00 -0.42 0.00 0.00 57.16 56.64 3kf3 n GLU 345 Cb 0.20 -1.73 -0.16 0.00 -0.57 0.00 0.00 31.44 29.18 3kf3 n GLU 345 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3kf3 s THR 346 N -2.78 1.35 0.07 2.62 2.01 -1.21 -5.10 115.64 112.61 3kf3 s THR 346 Ca -0.05 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.28 3kf3 s THR 346 Cb 0.08 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 3kf3 s THR 346 CO 0.83 0.39 0.17 -0.54 -0.69 0.00 0.00 174.62 174.78 3kf3 s LYS 347 N 0.02 3.26 -0.01 4.92 1.02 -1.26 -1.85 119.74 125.85 3kf3 s LYS 347 Ca -0.03 -0.53 0.03 0.00 0.02 0.00 0.00 55.97 55.46 3kf3 s LYS 347 Cb -0.11 -2.94 -0.01 0.00 -0.52 0.00 0.00 37.83 34.26 3kf3 s LYS 347 CO 0.02 0.59 -0.10 -0.65 -0.92 0.00 0.00 175.35 174.28 3kf3 s GLN 348 N -2.52 0.85 -0.28 1.68 -1.52 -0.15 -4.90 119.66 112.82 3kf3 s GLN 348 Ca 0.33 -0.37 -0.29 0.00 -1.95 0.00 0.00 55.36 53.09 3kf3 s GLN 348 Cb -0.13 -0.82 -0.02 0.00 -0.22 0.00 0.00 33.01 31.82 3kf3 s GLN 348 CO 0.26 0.22 1.70 -1.17 -0.25 0.00 0.00 175.29 176.05 3kf3 s LEU 349 N -0.21 3.70 0.04 2.90 0.20 -1.26 -1.59 118.68 122.46 3kf3 s LEU 349 Ca 0.03 1.44 0.07 0.00 0.69 0.00 0.00 54.13 56.37 3kf3 s LEU 349 Cb -0.04 -3.53 -0.03 0.00 -0.43 0.00 0.00 46.19 42.16 3kf3 s LEU 349 CO -0.00 -1.48 -0.21 -0.89 -0.29 0.00 0.00 176.35 173.48 3kf3 s THR 350 N 6.00 1.70 -0.01 3.68 2.01 0.16 -4.91 115.64 124.27 3kf3 s THR 350 Ca 0.75 -1.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.25 3kf3 s THR 350 Cb -0.23 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 3kf3 s THR 350 CO 0.32 0.22 1.35 -0.22 -0.69 0.00 0.00 174.62 175.61 3kf3 s LEU 351 N -1.16 4.31 0.01 4.42 2.96 -1.26 -1.63 118.68 126.33 3kf3 s LEU 351 Ca 0.08 2.04 0.06 0.00 -0.22 0.00 0.00 54.13 56.09 3kf3 s LEU 351 Cb -0.09 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 3kf3 s LEU 351 CO 0.02 -0.69 -0.16 -0.63 -1.32 0.00 0.00 176.35 173.57 3kf3 s ILE 352 N 2.34 2.94 -0.06 6.68 1.09 0.25 -4.80 121.20 129.64 3kf3 s ILE 352 Ca 0.62 -1.02 -0.05 0.00 -1.10 0.00 0.00 60.65 59.10 3kf3 s ILE 352 Cb -0.30 -2.21 0.02 0.00 -1.06 0.00 0.00 42.46 38.90 3kf3 s ILE 352 CO 0.25 0.42 0.16 0.00 -0.10 0.00 0.00 174.94 175.67 3kf3 s GLN 353 N -1.23 0.19 0.03 2.79 -2.07 -0.64 -1.63 119.66 117.10 3kf3 s GLN 353 Ca 0.14 0.21 0.02 0.00 -1.82 0.00 0.00 55.36 53.91 3kf3 s GLN 353 Cb -0.11 0.09 -0.02 0.00 -1.09 0.00 0.00 33.01 31.89 3kf3 s GLN 353 CO 0.04 -0.02 -0.08 -0.80 -1.32 0.00 0.00 175.29 173.11 3kf3 s ASN 354 N 0.07 0.91 0.47 12.60 0.01 -0.82 -4.18 114.94 124.00 3kf3 s ASN 354 Ca -0.00 -0.41 -0.22 0.00 -0.71 0.00 0.00 52.86 51.52 3kf3 s ASN 354 Cb -0.01 -0.01 -0.07 0.00 0.41 0.00 0.00 41.25 41.56 3kf3 s ASN 354 CO 0.00 -0.10 1.12 -2.16 -1.51 0.00 0.00 177.10 174.45 3kf3 s PRO 355 N -1.13 3.74 -0.38 -0.60 0.04 -1.26 0.05 135.00 135.46 3kf3 s PRO 355 Ca -0.05 1.63 -0.21 0.00 0.04 0.00 0.00 61.00 62.40 3kf3 s PRO 355 Cb -0.08 -2.29 0.01 0.00 0.04 0.00 0.00 34.50 32.19 3kf3 s PRO 355 CO 0.00 -0.53 0.68 0.08 0.04 0.00 0.00 177.00 177.27 3kf3 s VAL 356 N -1.68 4.83 -0.28 -0.36 1.01 0.67 -4.80 120.40 119.77 3kf3 s VAL 356 Ca 0.65 0.52 -0.02 0.00 0.00 0.00 0.00 61.98 63.13 3kf3 s VAL 356 Cb -0.24 -4.15 0.09 0.00 0.00 0.00 0.00 36.38 32.08 3kf3 s VAL 356 CO 0.29 -0.43 0.09 -0.76 0.00 0.00 0.00 175.10 174.29 3kf3 s LEU 357 N 2.86 1.68 1.03 3.92 1.43 -1.26 -4.70 118.68 123.63 3kf3 s LEU 357 Ca 0.26 -1.40 -0.16 0.00 -1.03 0.00 0.00 54.13 51.80 3kf3 s LEU 357 Cb -0.14 -0.71 0.21 0.00 0.03 0.00 0.00 46.19 45.59 3kf3 s LEU 357 CO 0.17 -0.40 1.20 -2.16 0.23 0.00 0.00 176.35 175.39 3kf3 s PRO 358 N 1.76 0.17 0.00 1.29 0.04 -1.26 -4.95 135.00 132.05 3kf3 s PRO 358 Ca 0.07 -0.11 0.24 0.00 0.04 0.00 0.00 61.00 61.25 3kf3 s PRO 358 Cb -0.17 -1.76 1.13 0.00 0.04 0.00 0.00 34.50 33.74 3kf3 s PRO 358 CO -0.24 -2.78 1.80 -0.25 0.04 0.00 0.00 177.00 175.57 3kf3 n ASP 359 N -4.09 0.00 0.00 6.66 8.00 -1.26 -3.01 116.55 122.85 3kf3 n ASP 359 Ca 0.12 0.23 0.08 0.00 0.71 0.00 0.00 54.79 55.93 3kf3 n ASP 359 Cb 0.59 -0.40 0.34 0.00 -0.02 0.00 0.00 41.12 41.63 3kf3 n ASP 359 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3kf3 n SER 360 N -1.40 0.00 -4.69 -2.24 3.41 -1.26 -4.64 113.62 102.79 3kf3 n SER 360 Ca 0.09 0.49 -0.42 0.00 -0.26 0.00 0.00 58.87 58.77 3kf3 n SER 360 Cb 0.24 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.67 3kf3 n SER 360 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3kf3 s ILE 361 N -2.99 4.48 0.08 -1.33 1.01 -1.16 -4.97 121.20 116.32 3kf3 s ILE 361 Ca 0.08 1.78 -0.24 0.00 0.00 0.00 0.00 60.65 62.26 3kf3 s ILE 361 Cb 0.10 -4.14 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 3kf3 s ILE 361 CO 0.29 0.03 0.74 0.20 0.00 0.00 0.00 174.94 176.20 3kf3 s ASN 362 N 1.25 7.24 -0.41 3.58 0.02 -0.98 -4.95 114.94 120.69 3kf3 s ASN 362 Ca 0.53 1.48 -0.17 0.00 -1.02 0.00 0.00 52.86 53.68 3kf3 s ASN 362 Cb -0.23 -2.46 0.02 0.00 0.02 0.00 0.00 41.25 38.60 3kf3 s ASN 362 CO 0.22 0.11 0.44 -0.69 0.02 0.00 0.00 177.10 177.20 3kf3 s VAL 363 N -0.51 5.08 0.04 1.60 1.01 -1.26 -1.05 120.40 125.31 3kf3 s VAL 363 Ca 0.36 -0.23 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 3kf3 s VAL 363 Cb -0.21 -4.01 -0.19 0.00 0.00 0.00 0.00 36.38 31.97 3kf3 s VAL 363 CO 0.23 -0.37 1.21 0.58 0.00 0.00 0.00 175.10 176.75 3kf3 h VAL 364 N 5.70 1.38 -2.97 2.92 2.07 -0.88 -3.48 116.25 120.99 3kf3 h VAL 364 Ca -0.27 -1.87 -0.03 0.00 0.82 0.00 0.00 66.70 65.35 3kf3 h VAL 364 Cb 1.12 2.27 -0.13 0.00 -1.52 0.00 0.00 31.29 33.03 3kf3 h VAL 364 CO 0.78 0.56 0.15 -0.62 0.02 0.00 0.00 177.57 178.46 3kf3 s ASP 365 N -6.69 -0.51 0.05 0.57 3.68 -1.12 -5.00 116.67 107.65 3kf3 s ASP 365 Ca -0.13 0.02 -0.08 0.00 2.13 0.00 0.00 52.55 54.48 3kf3 s ASP 365 Cb 0.05 0.56 -0.00 0.00 -1.45 0.00 0.00 42.92 42.09 3kf3 s ASP 365 CO 0.83 -0.90 0.17 -1.59 0.13 0.00 0.00 175.17 173.81 3kf3 s LYS 366 N -3.45 0.69 -0.09 4.34 -2.85 -1.26 -0.84 119.74 116.28 3kf3 s LYS 366 Ca -0.00 -0.70 0.04 0.00 -1.00 0.00 0.00 55.97 54.31 3kf3 s LYS 366 Cb -0.00 0.28 -0.01 0.00 -2.06 0.00 0.00 37.83 36.04 3kf3 s LYS 366 CO -0.10 -0.20 -0.20 -1.17 0.10 0.00 0.00 175.35 173.78 3kf3 s LEU 367 N -2.19 2.32 -0.05 2.77 0.20 0.73 -5.00 118.68 117.45 3kf3 s LEU 367 Ca -0.04 -0.44 -0.01 0.00 0.69 0.00 0.00 54.13 54.33 3kf3 s LEU 367 Cb -0.00 -1.47 0.03 0.00 -0.43 0.00 0.00 46.19 44.32 3kf3 s LEU 367 CO -0.05 0.21 0.02 -0.75 -0.29 0.00 0.00 176.35 175.49 3kf3 s LYS 368 N 0.03 0.35 0.12 1.98 2.20 -1.26 -1.00 119.74 122.17 3kf3 s LYS 368 Ca -0.08 0.18 0.03 0.00 -0.36 0.00 0.00 55.97 55.73 3kf3 s LYS 368 Cb -0.15 -0.74 -0.04 0.00 -1.51 0.00 0.00 37.83 35.39 3kf3 s LYS 368 CO 0.05 -0.27 -0.07 0.15 -0.36 0.00 0.00 175.35 174.85 3kf3 s LYS 369 N 1.81 0.94 -0.05 4.03 1.02 -0.06 -5.01 119.74 122.43 3kf3 s LYS 369 Ca 0.02 -1.40 -0.02 0.00 0.02 0.00 0.00 55.97 54.59 3kf3 s LYS 369 Cb -0.12 -0.34 0.03 0.00 -0.52 0.00 0.00 37.83 36.87 3kf3 s LYS 369 CO -0.04 -0.00 0.11 0.21 -0.92 0.00 0.00 175.35 174.70 3kf3 s LYS 370 N -3.82 0.07 -1.47 1.68 2.20 -1.26 -1.22 119.74 115.92 3kf3 s LYS 370 Ca 0.15 0.27 -0.05 0.00 -0.36 0.00 0.00 55.97 55.98 3kf3 s LYS 370 Cb 0.05 -0.14 0.04 0.00 -1.51 0.00 0.00 37.83 36.27 3kf3 s LYS 370 CO -0.02 -0.13 0.58 0.09 -0.36 0.00 0.00 175.35 175.51 3kf3 n ASN 371 N 3.90 -1.46 -4.89 1.43 5.03 -0.46 -4.95 115.26 113.87 3kf3 n ASN 371 Ca -0.23 -0.96 -0.36 0.00 0.87 0.00 0.00 54.58 53.90 3kf3 n ASN 371 Cb 0.53 -3.20 -0.06 0.00 -1.02 0.00 0.00 39.78 36.04 3kf3 n ASN 371 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3kf3 s VAL 372 N -3.73 5.42 -0.13 2.41 -7.23 -0.34 -4.93 120.40 111.88 3kf3 s VAL 372 Ca 0.22 0.13 -0.13 0.00 -1.81 0.00 0.00 61.98 60.39 3kf3 s VAL 372 Cb -0.11 -3.49 -0.05 0.00 0.56 0.00 0.00 36.38 33.29 3kf3 s VAL 372 CO 0.88 0.49 0.29 -0.54 -0.31 0.00 0.00 175.10 175.91 3kf3 s LYS 373 N -1.43 4.08 -0.11 4.82 1.02 -1.26 -0.19 119.74 126.67 3kf3 s LYS 373 Ca 0.21 0.12 -0.22 0.00 0.02 0.00 0.00 55.97 56.11 3kf3 s LYS 373 Cb -0.13 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 3kf3 s LYS 373 CO 0.11 0.39 0.64 -0.51 -0.92 0.00 0.00 175.35 175.06 3kf3 s LEU 374 N -0.02 4.26 0.19 3.17 1.43 -0.84 -4.85 118.68 122.04 3kf3 s LEU 374 Ca 0.18 1.02 -0.04 0.00 -1.03 0.00 0.00 54.13 54.26 3kf3 s LEU 374 Cb -0.14 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 3kf3 s LEU 374 CO 0.06 -0.13 0.19 0.42 0.23 0.00 0.00 176.35 177.11 3kf3 s THR 375 N 1.06 0.02 0.33 5.49 -4.23 -1.26 -4.17 115.64 112.89 3kf3 s THR 375 Ca 0.33 -1.84 0.34 0.00 -1.18 0.00 0.00 61.69 59.35 3kf3 s THR 375 Cb -0.17 -2.33 0.34 0.00 1.34 0.00 0.00 72.50 71.69 3kf3 s THR 375 CO 0.14 -0.10 2.05 -0.55 -0.54 0.00 0.00 174.62 175.63 3kf3 h ASN 376 N 2.59 0.00 -0.02 3.99 -1.07 -1.13 -0.62 115.58 119.31 3kf3 h ASN 376 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.03 3kf3 h ASN 376 Cb 1.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.49 3kf3 h ASN 376 CO 0.51 0.00 -0.06 0.29 0.07 0.00 0.00 177.43 178.24 3kf3 n LYS 377 N -2.73 1.39 -2.87 4.14 5.02 -1.26 -4.57 118.16 117.27 3kf3 n LYS 377 Ca -0.02 -1.38 -0.26 0.00 -2.02 0.00 0.00 58.31 54.63 3kf3 n LYS 377 Cb 0.08 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 3kf3 n LYS 377 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kf3 n LYS 378 N 0.76 3.09 -2.09 1.97 5.02 -0.24 -5.09 118.16 121.56 3kf3 n LYS 378 Ca 0.09 -4.68 -0.33 0.00 -2.02 0.00 0.00 58.31 51.37 3kf3 n LYS 378 Cb 0.40 -2.19 0.01 0.00 -0.02 0.00 0.00 35.03 33.24 3kf3 n LYS 378 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kf3 s PRO 379 N -3.41 3.29 -0.24 1.97 0.04 -1.24 -4.10 135.00 131.31 3kf3 s PRO 379 Ca 0.48 1.32 -0.13 0.00 0.04 0.00 0.00 61.00 62.71 3kf3 s PRO 379 Cb 0.31 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 3kf3 s PRO 379 CO -0.14 -0.85 0.28 0.42 0.04 0.00 0.00 177.00 176.75 3kf3 s ILE 380 N -2.26 5.26 -0.07 0.56 -1.09 -0.10 -4.96 121.20 118.55 3kf3 s ILE 380 Ca 0.66 0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 59.50 3kf3 s ILE 380 Cb -0.18 -3.62 0.02 0.00 -1.58 0.00 0.00 42.46 37.11 3kf3 s ILE 380 CO 0.34 0.26 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.73 3kf3 s LYS 381 N 1.45 0.94 0.22 2.79 1.02 -1.26 -0.36 119.74 124.53 3kf3 s LYS 381 Ca 0.12 -0.07 -0.30 0.00 0.02 0.00 0.00 55.97 55.75 3kf3 s LYS 381 Cb -0.15 -1.09 -0.09 0.00 -0.52 0.00 0.00 37.83 35.99 3kf3 s LYS 381 CO 0.08 -0.21 1.26 0.99 -0.92 0.00 0.00 175.35 176.55 3kf3 s THR 382 N 1.51 3.27 -0.42 2.17 2.01 -0.58 -4.99 115.64 118.61 3kf3 s THR 382 Ca -0.01 1.09 0.11 0.00 0.31 0.00 0.00 61.69 63.19 3kf3 s THR 382 Cb -0.13 -3.70 0.37 0.00 0.01 0.00 0.00 72.50 69.05 3kf3 s THR 382 CO -0.04 0.19 0.86 -3.20 -0.69 0.00 0.00 174.62 171.74 3kf3 n ASN 383 N 2.23 2.27 -4.90 3.53 5.15 -1.26 -4.70 115.26 117.58 3kf3 n ASN 383 Ca 0.04 -3.20 -0.28 0.00 -0.60 0.00 0.00 54.58 50.53 3kf3 n ASN 383 Cb 0.43 -0.57 0.01 0.00 -0.53 0.00 0.00 39.78 39.12 3kf3 n ASN 383 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3kf3 s PHE 384 N -2.93 3.50 0.13 1.20 0.08 -1.26 -5.01 117.98 113.68 3kf3 s PHE 384 Ca 0.41 0.93 -0.09 0.00 0.12 0.00 0.00 56.93 58.30 3kf3 s PHE 384 Cb 0.36 -2.57 -0.08 0.00 -0.57 0.00 0.00 43.02 40.15 3kf3 s PHE 384 CO -0.09 -0.58 1.35 -0.22 -0.10 0.00 0.00 175.22 175.59 3kf3 h LYS 385 N -0.08 0.69 0.00 0.44 3.64 -1.99 -3.47 116.57 115.80 3kf3 h LYS 385 Ca -0.46 -0.55 0.00 0.00 -1.27 0.00 0.00 60.65 58.37 3kf3 h LYS 385 Cb 1.22 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3kf3 h LYS 385 CO 0.62 1.17 0.00 0.41 -2.27 0.00 0.00 179.45 179.37 3kf3 n GLY 386 N 0.62 4.92 3.18 5.01 0.00 -1.26 -5.18 105.19 112.49 3kf3 n GLY 386 Ca -0.06 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 3kf3 n GLY 386 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kf3 s SER 387 N 0.85 -0.40 0.00 1.61 0.15 -1.26 -4.99 113.70 109.66 3kf3 s SER 387 Ca 0.00 0.73 0.27 0.00 0.70 0.00 0.00 55.95 57.65 3kf3 s SER 387 Cb 0.00 0.61 0.83 0.00 -1.71 0.00 0.00 66.02 65.75 3kf3 s SER 387 CO 0.00 -0.18 1.61 0.35 1.20 0.00 0.00 173.24 176.22 3kf3 n THR 388 N 4.19 0.00 -0.92 6.45 -2.24 -1.26 -4.96 114.28 115.55 3kf3 n THR 388 Ca -0.24 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3kf3 n THR 388 Cb 0.54 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 3kf3 n THR 388 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kf3 n GLY 389 N 1.26 0.70 3.17 3.38 0.00 -1.25 -4.91 105.19 107.55 3kf3 n GLY 389 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3kf3 n GLY 389 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kf3 s LEU 390 N 0.00 2.10 0.00 0.99 2.96 -1.26 -1.35 118.68 122.12 3kf3 s LEU 390 Ca 0.00 -0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 53.25 3kf3 s LEU 390 Cb 0.00 -1.43 -0.00 0.00 0.50 0.00 0.00 46.19 45.26 3kf3 s LEU 390 CO 0.00 0.08 0.12 -0.36 -1.32 0.00 0.00 176.35 174.87 3kf3 s PHE 391 N 0.78 0.06 0.20 5.38 0.40 0.01 -1.56 117.98 123.24 3kf3 s PHE 391 Ca -0.08 -0.15 0.08 0.00 -0.60 0.00 0.00 56.93 56.18 3kf3 s PHE 391 Cb -0.16 -0.06 -0.05 0.00 0.51 0.00 0.00 43.02 43.27 3kf3 s PHE 391 CO -0.01 -0.27 -0.16 0.16 0.70 0.00 0.00 175.22 175.64 3kf3 s ASP 392 N -1.33 2.69 -0.00 1.36 1.47 -0.54 -0.28 116.67 120.05 3kf3 s ASP 392 Ca -0.14 -0.97 0.01 0.00 1.18 0.00 0.00 52.55 52.63 3kf3 s ASP 392 Cb -0.08 -0.16 -0.00 0.00 -0.34 0.00 0.00 42.92 42.35 3kf3 s ASP 392 CO 0.01 -0.11 -0.02 0.72 0.68 0.00 0.00 175.17 176.45 3kf3 s PHE 393 N -2.62 0.22 -0.12 2.11 -0.12 -0.12 -1.16 117.98 116.18 3kf3 s PHE 393 Ca 0.21 -0.04 -0.03 0.00 -0.05 0.00 0.00 56.93 57.02 3kf3 s PHE 393 Cb -0.03 -0.15 0.05 0.00 -0.63 0.00 0.00 43.02 42.26 3kf3 s PHE 393 CO 0.07 -0.01 0.06 1.21 -0.05 0.00 0.00 175.22 176.51 3kf3 s ASN 394 N -0.01 1.99 -0.04 1.98 3.84 0.06 -0.98 114.94 121.78 3kf3 s ASN 394 Ca 0.00 -0.38 0.03 0.00 0.21 0.00 0.00 52.86 52.73 3kf3 s ASN 394 Cb -0.02 -0.29 0.00 0.00 -0.55 0.00 0.00 41.25 40.39 3kf3 s ASN 394 CO -0.00 -0.29 -0.12 -0.63 -2.79 0.00 0.00 177.10 173.26 3kf3 s ILE 395 N 2.08 1.03 -0.14 -5.21 1.01 0.26 -1.24 121.20 119.00 3kf3 s ILE 395 Ca 0.03 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.21 3kf3 s ILE 395 Cb -0.15 -0.91 -0.00 0.00 0.01 0.00 0.00 42.46 41.42 3kf3 s ILE 395 CO -0.07 0.31 -0.18 -0.89 0.00 0.00 0.00 174.94 174.11 3kf3 s THR 396 N 0.19 2.44 0.09 2.92 2.01 -0.53 -0.82 115.64 121.95 3kf3 s THR 396 Ca -0.04 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.13 3kf3 s THR 396 Cb -0.10 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 3kf3 s THR 396 CO 0.01 0.53 -0.10 0.72 -0.69 0.00 0.00 174.62 175.09 3kf3 s PHE 397 N 0.65 1.05 -0.01 4.92 -0.12 -0.30 -0.62 117.98 123.55 3kf3 s PHE 397 Ca -0.09 -0.63 0.05 0.00 -0.05 0.00 0.00 56.93 56.21 3kf3 s PHE 397 Cb -0.16 -0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 41.62 3kf3 s PHE 397 CO 0.02 0.00 -0.16 0.15 -0.05 0.00 0.00 175.22 175.18 3kf3 s LYS 398 N -2.62 2.32 -0.30 1.99 1.02 0.83 -1.04 119.74 121.94 3kf3 s LYS 398 Ca 0.04 -0.82 -0.17 0.00 0.02 0.00 0.00 55.97 55.04 3kf3 s LYS 398 Cb -0.04 -2.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 3kf3 s LYS 398 CO 0.00 0.59 0.47 0.08 -0.92 0.00 0.00 175.35 175.57 3kf3 s VAL 399 N -0.80 5.08 0.51 3.17 1.01 -0.05 -0.82 120.40 128.50 3kf3 s VAL 399 Ca 0.13 0.60 -0.14 0.00 0.00 0.00 0.00 61.98 62.57 3kf3 s VAL 399 Cb -0.11 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 3kf3 s VAL 399 CO 0.02 -0.00 0.94 -0.76 0.00 0.00 0.00 175.10 175.30 3kf3 s LEU 400 N 2.27 3.59 -1.24 3.92 1.02 0.13 -4.04 118.68 124.33 3kf3 s LEU 400 Ca 0.18 1.41 -0.19 0.00 0.02 0.00 0.00 54.13 55.55 3kf3 s LEU 400 Cb -0.16 -4.36 0.06 0.00 0.02 0.00 0.00 46.19 41.75 3kf3 s LEU 400 CO 0.11 -0.60 1.70 0.20 0.02 0.00 0.00 176.35 177.78 3kf3 s ASN 401 N -3.36 6.68 -0.06 2.29 0.02 -1.26 -4.90 114.94 114.35 3kf3 s ASN 401 Ca 0.56 -2.22 0.00 0.00 -1.02 0.00 0.00 52.86 50.18 3kf3 s ASN 401 Cb -0.10 -2.58 0.02 0.00 0.02 0.00 0.00 41.25 38.61 3kf3 s ASN 401 CO 0.36 -1.33 -0.04 -0.22 0.02 0.00 0.00 177.10 175.89 3kf3 s LEU 402 N 4.71 1.11 -0.27 0.60 2.96 -1.26 -5.11 118.68 121.42 3kf3 s LEU 402 Ca 0.53 -0.15 -0.26 0.00 -0.22 0.00 0.00 54.13 54.03 3kf3 s LEU 402 Cb 0.03 -0.53 0.00 0.00 0.50 0.00 0.00 46.19 46.20 3kf3 s LEU 402 CO 0.05 -0.10 0.90 0.20 -1.32 0.00 0.00 176.35 176.08 3kf3 s ASN 403 N 1.32 6.86 0.16 3.68 0.01 -1.26 -4.99 114.94 120.72 3kf3 s ASN 403 Ca -0.04 1.02 0.05 0.00 -0.71 0.00 0.00 52.86 53.17 3kf3 s ASN 403 Cb -0.14 -2.47 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 3kf3 s ASN 403 CO -0.02 -0.63 -0.09 0.54 -1.51 0.00 0.00 177.10 175.39 3kf3 s VAL 404 N 3.07 1.20 0.56 1.60 0.11 -1.26 -5.14 120.40 120.54 3kf3 s VAL 404 Ca 0.38 -2.07 -0.20 0.00 -2.93 0.00 0.00 61.98 57.15 3kf3 s VAL 404 Cb -0.14 -1.93 -0.05 0.00 -1.53 0.00 0.00 36.38 32.73 3kf3 s VAL 404 CO 0.09 -0.68 1.22 -0.94 -3.33 0.00 0.00 175.10 171.47 3kf3 s SER 405 N -3.20 5.42 0.46 3.54 1.04 -1.26 -4.87 113.70 114.84 3kf3 s SER 405 Ca 0.19 2.43 0.26 0.00 0.48 0.00 0.00 55.95 59.31 3kf3 s SER 405 Cb 0.03 -2.61 1.30 0.00 0.10 0.00 0.00 66.02 64.84 3kf3 s SER 405 CO 0.02 -1.44 1.80 -0.65 0.98 0.00 0.00 173.24 173.95 3kf3 h PRO 406 N 1.23 0.21 -0.06 4.02 0.11 -2.02 -0.10 132.00 135.39 3kf3 h PRO 406 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3kf3 h PRO 406 Cb 1.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kf3 h PRO 406 CO 0.57 0.14 0.00 0.41 -0.21 0.00 0.00 178.00 178.90 3kf3 n GLY 407 N -1.60 -0.47 0.02 -0.55 0.00 -1.26 -3.81 105.19 97.52 3kf3 n GLY 407 Ca 0.24 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 46.02 3kf3 n GLY 407 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kf3 n LYS 408 N -0.34 2.27 -0.87 1.61 5.02 -0.05 -4.79 118.16 121.01 3kf3 n LYS 408 Ca 0.16 -1.42 -0.11 0.00 -2.02 0.00 0.00 58.31 54.92 3kf3 n LYS 408 Cb 0.18 -0.95 -0.04 0.00 -0.02 0.00 0.00 35.03 34.21 3kf3 n LYS 408 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3kf3 n THR 409 N -0.49 2.63 -3.65 -0.18 -2.24 -1.25 -4.61 114.28 104.50 3kf3 n THR 409 Ca 0.01 -1.41 -0.11 0.00 -2.27 0.00 0.00 64.05 60.28 3kf3 n THR 409 Cb 0.34 -1.59 -0.05 0.00 -2.10 0.00 0.00 70.33 66.93 3kf3 n THR 409 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3kf3 s HIS 410 N -0.51 -0.20 0.17 4.78 -3.43 -1.26 -0.48 115.29 114.35 3kf3 s HIS 410 Ca 0.32 -0.06 0.06 0.00 -0.80 0.00 0.00 55.06 54.58 3kf3 s HIS 410 Cb 0.20 0.24 -0.04 0.00 -1.43 0.00 0.00 32.58 31.54 3kf3 s HIS 410 CO -0.03 -0.67 -0.13 -0.59 -2.00 0.00 0.00 174.74 171.32 3kf3 s PHE 411 N -3.53 1.48 -0.00 0.38 -0.12 -0.92 -4.48 117.98 110.78 3kf3 s PHE 411 Ca 0.01 -0.65 0.03 0.00 -0.05 0.00 0.00 56.93 56.28 3kf3 s PHE 411 Cb 0.01 -0.72 -0.01 0.00 -0.63 0.00 0.00 43.02 41.67 3kf3 s PHE 411 CO -0.10 0.21 -0.10 -0.51 -0.05 0.00 0.00 175.22 174.67 3kf3 s ASP 412 N -3.12 1.20 -0.32 1.98 1.11 -0.28 -1.82 116.67 115.42 3kf3 s ASP 412 Ca 0.18 -0.22 -0.12 0.00 0.18 0.00 0.00 52.55 52.57 3kf3 s ASP 412 Cb -0.00 -0.12 -0.02 0.00 1.07 0.00 0.00 42.92 43.85 3kf3 s ASP 412 CO 0.04 0.10 0.20 -0.63 1.18 0.00 0.00 175.17 176.06 3kf3 s ILE 413 N -0.34 5.03 -0.24 0.77 1.01 0.45 -0.80 121.20 127.07 3kf3 s ILE 413 Ca 0.03 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.30 3kf3 s ILE 413 Cb -0.04 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 3kf3 s ILE 413 CO -0.00 0.04 0.21 -0.76 0.00 0.00 0.00 174.94 174.42 3kf3 s LEU 414 N 1.69 4.10 -0.42 2.97 1.43 0.76 -1.06 118.68 128.14 3kf3 s LEU 414 Ca 0.06 0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.20 3kf3 s LEU 414 Cb -0.17 -2.18 0.07 0.00 0.03 0.00 0.00 46.19 43.94 3kf3 s LEU 414 CO 0.09 0.01 0.27 -0.63 0.23 0.00 0.00 176.35 176.32 3kf3 s ILE 415 N 1.29 4.41 -0.10 -0.59 1.01 0.11 -1.03 121.20 126.31 3kf3 s ILE 415 Ca 0.09 -1.26 -0.03 0.00 0.00 0.00 0.00 60.65 59.45 3kf3 s ILE 415 Cb -0.14 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 3kf3 s ILE 415 CO 0.07 -0.47 0.02 0.20 0.00 0.00 0.00 174.94 174.76 3kf3 s ASN 416 N 2.08 5.37 1.01 3.58 0.01 -0.33 -1.57 114.94 125.08 3kf3 s ASN 416 Ca 0.03 0.16 -0.15 0.00 -0.71 0.00 0.00 52.86 52.18 3kf3 s ASN 416 Cb -0.22 -1.59 0.20 0.00 0.41 0.00 0.00 41.25 40.04 3kf3 s ASN 416 CO 0.03 0.36 1.19 -0.94 -1.51 0.00 0.00 177.10 176.23 3kf3 s SER 417 N -0.74 2.68 0.62 -1.22 1.04 0.33 0.06 113.70 116.47 3kf3 s SER 417 Ca 0.12 0.64 -0.15 0.00 0.48 0.00 0.00 55.95 57.03 3kf3 s SER 417 Cb -0.12 -0.94 -0.03 0.00 0.10 0.00 0.00 66.02 65.04 3kf3 s SER 417 CO 0.02 -3.03 1.06 0.00 0.98 0.00 0.00 173.24 172.27 3kf3 s GLN 418 N -5.53 3.20 -0.09 4.02 0.00 -1.23 -4.60 119.66 115.44 3kf3 s GLN 418 Ca 0.69 1.19 -0.30 0.00 -0.00 0.00 0.00 55.36 56.94 3kf3 s GLN 418 Cb -0.10 -2.02 -0.03 0.00 0.00 0.00 0.00 33.01 30.86 3kf3 s GLN 418 CO 0.54 -0.90 1.35 -2.00 0.00 0.00 0.00 175.29 174.27 3kf3 s GLU 419 N -4.21 4.25 0.00 9.60 2.12 -1.26 -4.64 118.70 124.56 3kf3 s GLU 419 Ca 0.63 1.82 0.00 0.00 0.36 0.00 0.00 54.97 57.78 3kf3 s GLU 419 Cb -0.16 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.50 3kf3 s GLU 419 CO 0.40 -0.66 0.00 1.28 -0.54 0.00 0.00 175.26 175.74 3kf3 n LEU 420 N 6.19 0.00 -3.47 2.70 4.77 -1.01 -4.82 117.00 121.36 3kf3 n LEU 420 Ca 0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.72 3kf3 n LEU 420 Cb 0.44 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 3kf3 n LEU 420 CO 0.57 0.00 3.09 0.59 -1.33 0.00 0.00 177.39 180.31 3kf3 n ASN 421 N 0.00 6.70 -1.08 -1.43 3.02 -1.26 -4.53 115.26 116.67 3kf3 n ASN 421 Ca 0.00 -2.67 -0.10 0.00 -0.03 0.00 0.00 54.58 51.78 3kf3 n ASN 421 Cb 0.00 -1.58 -0.04 0.00 -0.61 0.00 0.00 39.78 37.55 3kf3 n ASN 421 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3kf3 n SER 422 N 4.62 -3.41 -4.14 6.41 3.41 -1.26 -4.96 113.62 114.29 3kf3 n SER 422 Ca 0.67 0.25 -0.17 0.00 -0.26 0.00 0.00 58.87 59.36 3kf3 n SER 422 Cb 0.29 -2.98 -0.12 0.00 -0.26 0.00 0.00 64.21 61.14 3kf3 n SER 422 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kf3 s SER 423 N -1.90 1.47 -0.13 4.04 1.04 -1.26 -5.10 113.70 111.86 3kf3 s SER 423 Ca 0.00 -0.59 -0.02 0.00 0.48 0.00 0.00 55.95 55.82 3kf3 s SER 423 Cb 0.00 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 3kf3 s SER 423 CO 0.00 -0.10 -0.07 -0.69 0.98 0.00 0.00 173.24 173.36 3kf3 s VAL 424 N -1.28 3.63 0.07 5.02 1.01 -1.26 -2.42 120.40 125.17 3kf3 s VAL 424 Ca -0.04 -0.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 3kf3 s VAL 424 Cb -0.10 -2.55 -0.07 0.00 0.00 0.00 0.00 36.38 33.66 3kf3 s VAL 424 CO 0.02 0.53 0.56 -1.81 0.00 0.00 0.00 175.10 174.40 3kf3 s ASP 425 N 0.09 7.06 0.01 3.32 1.11 -1.26 -4.92 116.67 122.07 3kf3 s ASP 425 Ca -0.02 1.25 0.01 0.00 0.18 0.00 0.00 52.55 53.97 3kf3 s ASP 425 Cb -0.14 -2.36 -0.01 0.00 1.07 0.00 0.00 42.92 41.49 3kf3 s ASP 425 CO 0.03 0.28 -0.05 -0.94 1.18 0.00 0.00 175.17 175.67 3kf3 s SER 426 N -1.10 0.55 0.23 0.27 1.04 -1.26 -0.51 113.70 112.92 3kf3 s SER 426 Ca 0.29 -0.25 0.10 0.00 0.48 0.00 0.00 55.95 56.57 3kf3 s SER 426 Cb -0.19 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.87 3kf3 s SER 426 CO 0.19 -0.06 -0.10 0.27 0.98 0.00 0.00 173.24 174.52 3kf3 s ILE 427 N -0.58 3.06 -0.05 -1.02 -4.36 -0.61 -4.75 121.20 112.89 3kf3 s ILE 427 Ca -0.03 -1.91 0.02 0.00 -0.26 0.00 0.00 60.65 58.47 3kf3 s ILE 427 Cb -0.05 -2.57 0.01 0.00 1.25 0.00 0.00 42.46 41.11 3kf3 s ILE 427 CO -0.00 -0.25 -0.10 -0.75 0.24 0.00 0.00 174.94 174.09 3kf3 s LYS 428 N -3.20 1.33 -0.09 0.37 2.20 -0.84 -0.71 119.74 118.81 3kf3 s LYS 428 Ca 0.27 -0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.60 3kf3 s LYS 428 Cb -0.07 -1.16 0.01 0.00 -1.51 0.00 0.00 37.83 35.10 3kf3 s LYS 428 CO 0.16 0.01 -0.14 0.42 -0.36 0.00 0.00 175.35 175.45 3kf3 s ILE 429 N 0.65 1.33 0.26 5.43 1.09 -0.23 -0.60 121.20 129.13 3kf3 s ILE 429 Ca -0.12 -0.56 0.04 0.00 -1.10 0.00 0.00 60.65 58.91 3kf3 s ILE 429 Cb -0.14 -1.21 -0.01 0.00 -1.06 0.00 0.00 42.46 40.03 3kf3 s ILE 429 CO 0.02 0.40 0.27 0.61 -0.10 0.00 0.00 174.94 176.14 3kf3 n GLY 430 N 4.03 2.93 2.91 6.18 0.00 -0.17 0.17 105.19 121.23 3kf3 n GLY 430 Ca -0.20 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 3kf3 n GLY 430 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kf3 s PHE 431 N -3.14 -0.07 -0.20 1.61 5.36 -0.75 -1.06 117.98 119.73 3kf3 s PHE 431 Ca 0.29 0.21 -0.03 0.00 -0.96 0.00 0.00 56.93 56.44 3kf3 s PHE 431 Cb 0.01 -0.04 -0.01 0.00 -0.34 0.00 0.00 43.02 42.64 3kf3 s PHE 431 CO 0.21 -0.06 -0.07 0.34 -1.46 0.00 0.00 175.22 174.17 3kf3 s ASP 432 N 0.39 4.17 0.26 6.13 -1.08 -0.16 -2.17 116.67 124.20 3kf3 s ASP 432 Ca -0.03 -0.39 0.04 0.00 -0.52 0.00 0.00 52.55 51.65 3kf3 s ASP 432 Cb -0.04 -1.70 0.33 0.00 -1.46 0.00 0.00 42.92 40.05 3kf3 s ASP 432 CO -0.01 0.02 1.62 0.77 0.52 0.00 0.00 175.17 178.09 3kf3 h SER 433 N 7.80 0.33 0.21 -0.34 4.64 -1.09 -0.35 113.55 124.75 3kf3 h SER 433 Ca -0.39 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 60.71 3kf3 h SER 433 Cb 1.17 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 3kf3 h SER 433 CO 0.60 0.77 -0.26 0.77 -0.87 0.00 0.00 176.83 177.83 3kf3 h SER 434 N 0.24 0.09 -0.00 4.97 4.64 -1.96 -3.06 113.55 118.47 3kf3 h SER 434 Ca 0.01 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3kf3 h SER 434 Cb 0.95 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3kf3 h SER 434 CO 0.08 0.36 -0.80 0.00 -0.87 0.00 0.00 176.83 175.60 3kf3 n GLN 435 N -4.19 0.71 -3.98 4.77 1.13 -1.14 -4.98 117.38 109.71 3kf3 n GLN 435 Ca -0.02 -0.27 -0.31 0.00 -1.94 0.00 0.00 57.00 54.47 3kf3 n GLN 435 Cb 0.34 -1.43 0.01 0.00 0.11 0.00 0.00 30.24 29.26 3kf3 n GLN 435 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3kf3 n SER 436 N -1.07 -3.68 -3.90 1.08 2.88 -0.17 -4.87 113.62 103.90 3kf3 n SER 436 Ca 0.05 -0.86 -0.17 0.00 -1.33 0.00 0.00 58.87 56.56 3kf3 n SER 436 Cb 0.34 -3.54 -0.15 0.00 -0.75 0.00 0.00 64.21 60.11 3kf3 n SER 436 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3kf3 s SER 437 N -3.50 0.60 0.49 -3.46 0.01 -1.01 -2.36 113.70 104.47 3kf3 s SER 437 Ca 0.56 -0.08 -0.08 0.00 1.31 0.00 0.00 55.95 57.67 3kf3 s SER 437 Cb -0.29 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.69 3kf3 s SER 437 CO 0.86 -0.02 0.83 -0.36 0.41 0.00 0.00 173.24 174.97 3kf3 s PHE 438 N 0.49 3.55 0.09 2.43 0.40 -0.48 -0.99 117.98 123.47 3kf3 s PHE 438 Ca -0.05 0.97 -0.11 0.00 -0.60 0.00 0.00 56.93 57.13 3kf3 s PHE 438 Cb -0.09 -2.42 0.01 0.00 0.51 0.00 0.00 43.02 41.03 3kf3 s PHE 438 CO -0.01 -0.32 0.26 1.52 0.70 0.00 0.00 175.22 177.37 3kf3 s TYR 439 N -2.75 0.01 0.08 0.36 -0.85 -0.22 -0.95 117.35 113.03 3kf3 s TYR 439 Ca 0.50 -0.36 0.08 0.00 -0.52 0.00 0.00 57.07 56.78 3kf3 s TYR 439 Cb -0.10 0.05 -0.03 0.00 0.38 0.00 0.00 41.96 42.25 3kf3 s TYR 439 CO 0.43 -0.57 -0.22 -1.50 -1.52 0.00 0.00 175.55 172.18 3kf3 s ILE 440 N -3.55 1.76 -0.25 -3.49 2.07 -0.52 -1.00 121.20 116.21 3kf3 s ILE 440 Ca 0.02 -1.41 0.00 0.00 -1.41 0.00 0.00 60.65 57.86 3kf3 s ILE 440 Cb 0.03 -1.56 0.07 0.00 0.13 0.00 0.00 42.46 41.13 3kf3 s ILE 440 CO -0.10 0.09 0.00 -0.62 -1.91 0.00 0.00 174.94 172.40 3kf3 s ASP 441 N -1.58 3.84 -0.08 4.50 -1.08 0.23 -2.42 116.67 120.08 3kf3 s ASP 441 Ca 0.08 -1.32 0.18 0.00 -0.52 0.00 0.00 52.55 50.97 3kf3 s ASP 441 Cb -0.09 -1.07 0.66 0.00 -1.46 0.00 0.00 42.92 40.95 3kf3 s ASP 441 CO 0.03 -0.30 1.55 -2.11 0.52 0.00 0.00 175.17 174.87 3kf3 n ARG 442 N 4.72 3.33 -1.80 4.34 1.85 -0.37 -1.98 116.66 126.75 3kf3 n ARG 442 Ca -0.08 -2.61 -0.42 0.00 -1.00 0.00 0.00 57.85 53.74 3kf3 n ARG 442 Cb 0.44 -1.78 -0.03 0.00 -1.05 0.00 0.00 32.46 30.04 3kf3 n ARG 442 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3kf3 s HIS 443 N -1.66 2.94 -0.12 2.89 2.46 -1.26 -4.81 115.29 115.73 3kf3 s HIS 443 Ca 0.47 0.49 0.01 0.00 0.47 0.00 0.00 55.06 56.49 3kf3 s HIS 443 Cb 0.29 -4.07 0.02 0.00 -0.13 0.00 0.00 32.58 28.70 3kf3 s HIS 443 CO 0.25 -3.95 -0.12 0.42 -2.47 0.00 0.00 174.74 168.87 3kf3 s ILE 444 N 1.01 1.34 0.59 0.89 1.01 -1.26 -4.79 121.20 119.99 3kf3 s ILE 444 Ca 0.72 -0.51 -0.18 0.00 0.00 0.00 0.00 60.65 60.68 3kf3 s ILE 444 Cb -0.48 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 3kf3 s ILE 444 CO 0.34 0.42 1.15 -2.16 0.00 0.00 0.00 174.94 174.68 3kf3 s PRO 445 N 1.36 3.08 -1.77 2.79 0.04 -1.26 -3.64 135.00 135.60 3kf3 s PRO 445 Ca 0.00 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.66 3kf3 s PRO 445 Cb -0.13 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3kf3 s PRO 445 CO -0.06 -1.07 0.00 0.09 0.04 0.00 0.00 177.00 176.00 3kf3 n ASN 446 N -1.69 -5.05 -4.24 6.66 3.02 -1.26 -4.85 115.26 107.85 3kf3 n ASN 446 Ca 0.12 0.37 -0.35 0.00 -0.03 0.00 0.00 54.58 54.69 3kf3 n ASN 446 Cb 0.51 -4.06 -0.14 0.00 -0.61 0.00 0.00 39.78 35.47 3kf3 n ASN 446 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kf3 s VAL 447 N -2.66 3.05 0.01 2.41 1.01 -1.24 -4.94 120.40 118.05 3kf3 s VAL 447 Ca 0.00 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.24 3kf3 s VAL 447 Cb 0.00 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 3kf3 s VAL 447 CO 0.00 0.29 -0.25 -1.61 0.00 0.00 0.00 175.10 173.53 3kf3 s GLU 448 N 1.39 1.83 0.09 2.72 8.01 -1.26 -4.98 118.70 126.49 3kf3 s GLU 448 Ca 0.03 -0.97 -0.23 0.00 0.01 0.00 0.00 54.97 53.81 3kf3 s GLU 448 Cb -0.16 -1.88 0.06 0.00 -4.31 0.00 0.00 34.13 27.84 3kf3 s GLU 448 CO -0.04 0.50 0.55 -0.59 0.01 0.00 0.00 175.26 175.69 3kf3 s PHE 449 N -0.69 -0.46 0.44 1.61 -0.71 -1.26 -4.98 117.98 111.93 3kf3 s PHE 449 Ca 0.10 0.41 -0.24 0.00 -1.04 0.00 0.00 56.93 56.16 3kf3 s PHE 449 Cb -0.10 0.41 -0.09 0.00 -1.21 0.00 0.00 43.02 42.03 3kf3 s PHE 449 CO 0.01 -0.72 1.16 -2.30 -1.34 0.00 0.00 175.22 172.03 3kf3 n PRO 450 N 0.10 1.63 -1.61 1.99 -0.02 -1.26 -2.85 135.00 132.98 3kf3 n PRO 450 Ca -0.18 0.58 -0.12 0.00 -2.02 0.00 0.00 63.50 61.76 3kf3 n PRO 450 Cb 0.62 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 3kf3 n PRO 450 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kf3 n ARG 451 N -0.06 -0.90 0.00 -0.52 1.74 -1.26 -4.81 116.66 110.85 3kf3 n ARG 451 Ca 0.08 0.84 0.07 0.00 -0.77 0.00 0.00 57.85 58.08 3kf3 n ARG 451 Cb 0.40 -4.92 0.32 0.00 -1.02 0.00 0.00 32.46 27.24 3kf3 n ARG 451 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3kf3 n LYS 452 N -2.51 0.00 0.29 5.56 4.81 -1.13 -1.92 118.16 123.25 3kf3 n LYS 452 Ca -0.13 0.24 0.18 0.00 -0.87 0.00 0.00 58.31 57.73 3kf3 n LYS 452 Cb 0.47 -1.50 0.97 0.00 0.02 0.00 0.00 35.03 34.98 3kf3 n LYS 452 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3kf3 h GLN 453 N 0.00 0.00 -0.02 1.64 7.50 -1.90 -0.93 115.11 121.39 3kf3 h GLN 453 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3kf3 h GLN 453 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.79 3kf3 h GLN 453 CO 0.00 0.00 -0.20 1.19 -1.50 0.00 0.00 178.83 178.32 3kf3 n PHE 454 N -3.56 0.00 -2.83 2.96 3.01 -0.81 -4.77 117.46 111.47 3kf3 n PHE 454 Ca -0.02 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.01 3kf3 n PHE 454 Cb 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 3kf3 n PHE 454 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3kf3 n PHE 455 N 0.68 4.80 -1.68 1.38 7.35 -0.36 -4.97 117.46 124.67 3kf3 n PHE 455 Ca 0.11 -3.22 -0.45 0.00 -0.76 0.00 0.00 57.45 53.13 3kf3 n PHE 455 Cb 0.51 -2.28 -0.04 0.00 0.35 0.00 0.00 39.48 38.02 3kf3 n PHE 455 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 3kf3 n THR 456 N 4.94 0.15 -0.03 -2.13 -1.04 -1.26 -4.91 114.28 110.01 3kf3 n THR 456 Ca 0.40 -0.03 -0.16 0.00 -2.04 0.00 0.00 64.05 62.22 3kf3 n THR 456 Cb 0.43 -1.74 -0.14 0.00 -1.82 0.00 0.00 70.33 67.06 3kf3 n THR 456 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3kf3 n ASP 457 N 4.34 1.54 -4.44 8.00 10.43 -1.26 -4.88 116.55 130.28 3kf3 n ASP 457 Ca 0.18 0.23 -0.33 0.00 2.57 0.00 0.00 54.79 57.43 3kf3 n ASP 457 Cb 0.31 -0.41 -0.13 0.00 1.84 0.00 0.00 41.12 42.73 3kf3 n ASP 457 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3kf3 s LYS 458 N -2.56 3.55 0.04 -1.24 1.02 -1.26 -1.23 119.74 118.06 3kf3 s LYS 458 Ca -0.17 -0.58 -0.02 0.00 0.02 0.00 0.00 55.97 55.21 3kf3 s LYS 458 Cb 0.07 -2.82 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 3kf3 s LYS 458 CO 0.78 0.21 0.02 -0.51 -0.92 0.00 0.00 175.35 174.92 3kf3 s LEU 459 N 0.42 2.16 0.15 3.17 1.43 -1.01 -5.01 118.68 119.98 3kf3 s LEU 459 Ca -0.06 -0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 52.34 3kf3 s LEU 459 Cb -0.15 0.34 -0.04 0.00 0.03 0.00 0.00 46.19 46.36 3kf3 s LEU 459 CO 0.04 -0.49 0.05 0.00 0.23 0.00 0.00 176.35 176.17 3kf3 s ALA 460 N -2.82 1.03 -0.19 4.21 0.00 -1.26 -1.45 121.76 121.29 3kf3 s ALA 460 Ca -0.03 -1.53 -0.04 0.00 0.00 0.00 0.00 51.96 50.35 3kf3 s ALA 460 Cb 0.00 0.82 0.09 0.00 0.00 0.00 0.00 23.12 24.03 3kf3 s ALA 460 CO -0.06 -0.45 0.31 0.00 0.00 0.00 0.00 175.76 175.56 3kf3 s ALA 461 N -3.94 -0.73 0.11 0.00 0.00 -0.13 -4.97 121.76 112.10 3kf3 s ALA 461 Ca 0.25 0.88 -0.28 0.00 0.00 0.00 0.00 51.96 52.81 3kf3 s ALA 461 Cb 0.07 -1.30 -0.06 0.00 0.00 0.00 0.00 23.12 21.83 3kf3 s ALA 461 CO 0.03 -0.94 0.88 -0.47 0.00 0.00 0.00 175.76 175.26 3kf3 s TYR 462 N 2.47 3.82 -0.12 0.00 5.04 -1.26 -1.38 117.35 125.92 3kf3 s TYR 462 Ca 0.05 1.70 -0.08 0.00 -2.44 0.00 0.00 57.07 56.30 3kf3 s TYR 462 Cb -0.14 -2.94 0.04 0.00 0.35 0.00 0.00 41.96 39.27 3kf3 s TYR 462 CO -0.12 0.30 0.29 -0.51 -1.34 0.00 0.00 175.55 174.17 3kf3 s LEU 463 N -0.30 0.53 0.88 6.97 1.02 -0.99 -5.01 118.68 121.78 3kf3 s LEU 463 Ca 0.42 0.60 -0.11 0.00 0.02 0.00 0.00 54.13 55.07 3kf3 s LEU 463 Cb -0.23 0.93 0.12 0.00 0.02 0.00 0.00 46.19 47.03 3kf3 s LEU 463 CO 0.28 -0.14 1.10 -1.61 0.02 0.00 0.00 176.35 175.99 3kf3 s GLU 464 N 0.83 1.37 0.65 1.70 0.41 -1.26 -4.72 118.70 117.69 3kf3 s GLU 464 Ca -0.06 1.12 -0.18 0.00 -0.41 0.00 0.00 54.97 55.45 3kf3 s GLU 464 Cb -0.07 -1.80 -0.01 0.00 -1.78 0.00 0.00 34.13 30.47 3kf3 s GLU 464 CO -0.06 -2.25 1.15 -2.30 -0.49 0.00 0.00 175.26 171.32 3kf3 n PRO 465 N -3.93 0.93 -0.19 0.39 -0.02 -1.26 -4.91 135.00 126.01 3kf3 n PRO 465 Ca 0.09 0.37 -0.10 0.00 -2.02 0.00 0.00 63.50 61.84 3kf3 n PRO 465 Cb 0.54 -2.39 0.01 0.00 -0.02 0.00 0.00 33.50 31.64 3kf3 n PRO 465 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kf3 h LEU 466 N 0.34 1.00 -8.10 2.45 5.85 -0.36 -3.48 115.31 113.00 3kf3 h LEU 466 Ca -0.50 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 57.86 3kf3 h LEU 466 Cb 1.35 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 3kf3 h LEU 466 CO 0.51 1.09 0.15 -0.62 -0.34 0.00 0.00 178.44 179.23 3kf3 s ASP 467 N -6.56 0.02 -0.11 1.25 -1.08 -1.01 -5.02 116.67 104.17 3kf3 s ASP 467 Ca -0.12 -0.99 0.02 0.00 -0.52 0.00 0.00 52.55 50.94 3kf3 s ASP 467 Cb 0.13 0.75 0.02 0.00 -1.46 0.00 0.00 42.92 42.36 3kf3 s ASP 467 CO 0.85 -1.46 -0.15 -0.31 0.52 0.00 0.00 175.17 174.62 3kf3 s TYR 468 N -3.15 2.01 -0.62 -5.34 1.51 -1.26 -0.47 117.35 110.03 3kf3 s TYR 468 Ca 0.17 -0.97 -0.15 0.00 -1.01 0.00 0.00 57.07 55.11 3kf3 s TYR 468 Cb -0.04 -1.45 0.15 0.00 -0.11 0.00 0.00 41.96 40.51 3kf3 s TYR 468 CO 0.11 -0.50 0.56 0.34 -1.11 0.00 0.00 175.55 174.95 3kf3 s ASP 469 N 1.05 6.31 1.64 2.29 -1.08 0.07 -4.87 116.67 122.07 3kf3 s ASP 469 Ca -0.05 -2.07 0.00 0.00 -0.52 0.00 0.00 52.55 49.91 3kf3 s ASP 469 Cb -0.15 -2.19 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 3kf3 s ASP 469 CO -0.03 -0.76 0.00 0.00 0.52 0.00 0.00 175.17 174.90 3kf3 n GLN 470 N 4.85 0.00 0.00 4.34 1.13 -1.26 -1.89 117.38 124.55 3kf3 n GLN 470 Ca -0.06 0.00 0.09 0.00 -1.94 0.00 0.00 57.00 55.09 3kf3 n GLN 470 Cb 0.42 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.79 3kf3 n GLN 470 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3kf3 n ASP 471 N 10.96 1.93 -4.73 1.08 5.75 -1.26 -4.99 116.55 125.30 3kf3 n ASP 471 Ca 0.00 -1.47 -0.39 0.00 -0.01 0.00 0.00 54.79 52.92 3kf3 n ASP 471 Cb 0.00 0.33 -0.05 0.00 -1.03 0.00 0.00 41.12 40.37 3kf3 n ASP 471 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3kf3 s LEU 472 N -1.91 4.33 0.08 -2.12 1.02 -0.79 -5.04 118.68 114.25 3kf3 s LEU 472 Ca 0.16 1.13 -0.30 0.00 0.02 0.00 0.00 54.13 55.14 3kf3 s LEU 472 Cb 0.14 -3.00 -0.06 0.00 0.02 0.00 0.00 46.19 43.30 3kf3 s LEU 472 CO 0.37 -0.06 1.18 -0.13 0.02 0.00 0.00 176.35 177.73 3kf3 s ARG 473 N 0.58 4.46 -0.08 1.70 0.52 -1.26 -0.75 118.95 124.12 3kf3 s ARG 473 Ca 0.35 1.76 0.02 0.00 -0.52 0.00 0.00 55.73 57.33 3kf3 s ARG 473 Cb -0.17 -3.34 -0.02 0.00 0.52 0.00 0.00 34.95 31.94 3kf3 s ARG 473 CO 0.17 -0.21 -0.12 0.08 0.02 0.00 0.00 175.30 175.24 3kf3 s VAL 474 N 0.85 3.23 0.13 3.52 1.01 0.37 -0.87 120.40 128.64 3kf3 s VAL 474 Ca 0.57 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.95 3kf3 s VAL 474 Cb -0.29 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3kf3 s VAL 474 CO 0.30 0.57 -0.11 -0.36 0.00 0.00 0.00 175.10 175.50 3kf3 s PHE 475 N -0.41 1.22 0.17 5.22 0.40 -0.21 0.46 117.98 124.84 3kf3 s PHE 475 Ca 0.05 -0.69 0.08 0.00 -0.60 0.00 0.00 56.93 55.77 3kf3 s PHE 475 Cb -0.12 -0.64 -0.04 0.00 0.51 0.00 0.00 43.02 42.73 3kf3 s PHE 475 CO 0.02 0.07 -0.16 -1.54 0.70 0.00 0.00 175.22 174.30 3kf3 s SER 476 N -2.81 2.53 -0.08 1.36 1.04 -1.26 -1.15 113.70 113.32 3kf3 s SER 476 Ca 0.12 -0.90 -0.04 0.00 0.48 0.00 0.00 55.95 55.61 3kf3 s SER 476 Cb -0.00 -0.14 0.04 0.00 0.10 0.00 0.00 66.02 66.02 3kf3 s SER 476 CO 0.01 -0.09 0.18 -0.22 0.98 0.00 0.00 173.24 174.10 3kf3 s LEU 477 N -2.83 0.44 -0.09 2.42 0.20 -0.00 -0.40 118.68 118.41 3kf3 s LEU 477 Ca 0.17 0.39 0.04 0.00 0.69 0.00 0.00 54.13 55.42 3kf3 s LEU 477 Cb -0.04 0.48 0.00 0.00 -0.43 0.00 0.00 46.19 46.20 3kf3 s LEU 477 CO 0.06 -0.17 -0.23 -0.47 -0.29 0.00 0.00 176.35 175.25 3kf3 s TYR 478 N 1.46 2.43 0.02 5.38 5.04 -0.23 -0.57 117.35 130.88 3kf3 s TYR 478 Ca -0.07 -0.96 0.03 0.00 -2.44 0.00 0.00 57.07 53.64 3kf3 s TYR 478 Cb -0.11 -1.63 -0.01 0.00 0.35 0.00 0.00 41.96 40.55 3kf3 s TYR 478 CO -0.07 -0.38 -0.10 0.20 -1.34 0.00 0.00 175.55 173.85 3kf3 s GLY 479 N 0.32 0.57 -0.06 8.97 0.00 -0.15 0.07 107.32 117.04 3kf3 s GLY 479 Ca -0.17 -0.61 0.03 0.00 0.00 0.00 0.00 44.72 43.97 3kf3 s GLY 479 CO 0.08 -0.58 -0.12 -1.50 0.00 0.00 0.00 173.10 170.98 3kf3 s ILE 480 N -0.64 1.13 -0.16 0.90 2.07 -0.41 -0.94 121.20 123.15 3kf3 s ILE 480 Ca 0.00 -0.50 0.00 0.00 -1.41 0.00 0.00 60.65 58.75 3kf3 s ILE 480 Cb -0.06 -1.02 0.00 0.00 0.13 0.00 0.00 42.46 41.51 3kf3 s ILE 480 CO 0.00 0.35 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.53 3kf3 s VAL 481 N 0.50 2.54 -0.52 4.00 1.01 0.61 -1.10 120.40 127.44 3kf3 s VAL 481 Ca -0.11 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.10 3kf3 s VAL 481 Cb -0.14 -2.07 0.17 0.00 0.00 0.00 0.00 36.38 34.33 3kf3 s VAL 481 CO 0.03 0.52 0.39 -0.62 0.00 0.00 0.00 175.10 175.41 3kf3 s ASP 482 N 0.95 2.94 0.00 3.32 2.15 -0.29 -0.81 116.67 124.93 3kf3 s ASP 482 Ca -0.03 -3.31 0.00 0.00 0.43 0.00 0.00 52.55 49.64 3kf3 s ASP 482 Cb -0.15 -0.94 0.00 0.00 -0.30 0.00 0.00 42.92 41.53 3kf3 s ASP 482 CO -0.03 -0.15 0.00 0.29 -0.17 0.00 0.00 175.17 175.11 3kf3 n LYS 483 N 2.60 0.00 -0.03 4.34 5.02 -0.46 -2.89 118.16 126.73 3kf3 n LYS 483 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 3kf3 n LYS 483 Cb 0.42 -0.32 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 3kf3 n LYS 483 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3kf3 n ASN 484 N 0.00 0.00 -3.79 4.39 2.04 -1.26 -4.72 115.26 111.92 3kf3 n ASN 484 Ca 0.00 -1.05 -0.14 0.00 -0.44 0.00 0.00 54.58 52.95 3kf3 n ASN 484 Cb 0.00 -0.01 -0.15 0.00 -2.53 0.00 0.00 39.78 37.09 3kf3 n ASN 484 CO 0.00 0.00 0.00 -0.51 -0.44 0.00 0.00 177.26 176.31 3kf3 s ILE 485 N 0.00 -0.04 -0.11 1.53 2.07 -1.14 -0.40 121.20 123.11 3kf3 s ILE 485 Ca 0.00 0.14 0.04 0.00 -1.41 0.00 0.00 60.65 59.41 3kf3 s ILE 485 Cb 0.00 -0.15 0.00 0.00 0.13 0.00 0.00 42.46 42.45 3kf3 s ILE 485 CO 0.00 0.06 -0.23 -0.51 -1.91 0.00 0.00 174.94 172.34 3kf3 s ILE 486 N 0.78 2.10 -0.16 2.00 2.07 0.12 -1.13 121.20 126.97 3kf3 s ILE 486 Ca -0.06 -1.00 -0.01 0.00 -1.41 0.00 0.00 60.65 58.17 3kf3 s ILE 486 Cb -0.08 -1.80 -0.01 0.00 0.13 0.00 0.00 42.46 40.69 3kf3 s ILE 486 CO -0.03 0.56 -0.11 -1.61 -1.91 0.00 0.00 174.94 171.84 3kf3 s GLU 487 N 0.42 3.37 -0.05 3.50 2.02 -0.26 -1.82 118.70 125.87 3kf3 s GLU 487 Ca -0.17 -0.67 0.05 0.00 0.02 0.00 0.00 54.97 54.20 3kf3 s GLU 487 Cb -0.18 -2.74 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 3kf3 s GLU 487 CO 0.07 0.08 -0.21 -0.51 0.02 0.00 0.00 175.26 174.71 3kf3 s LEU 488 N 0.71 2.30 -0.18 1.80 1.43 -0.04 -1.29 118.68 123.41 3kf3 s LEU 488 Ca -0.05 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 3kf3 s LEU 488 Cb -0.15 -1.44 0.05 0.00 0.03 0.00 0.00 46.19 44.68 3kf3 s LEU 488 CO 0.02 0.28 -0.02 -0.31 0.23 0.00 0.00 176.35 176.54 3kf3 s TYR 489 N -0.35 1.61 -0.10 0.29 1.51 0.11 -1.22 117.35 119.19 3kf3 s TYR 489 Ca 0.02 -1.12 -0.09 0.00 -1.01 0.00 0.00 57.07 54.87 3kf3 s TYR 489 Cb -0.12 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.42 3kf3 s TYR 489 CO 0.02 -0.63 0.20 -0.06 -1.11 0.00 0.00 175.55 173.96 3kf3 s PHE 490 N 1.66 3.61 -1.12 2.71 0.40 0.07 -1.07 117.98 124.24 3kf3 s PHE 490 Ca -0.01 0.61 -0.22 0.00 -0.60 0.00 0.00 56.93 56.71 3kf3 s PHE 490 Cb -0.16 -2.04 0.00 0.00 0.51 0.00 0.00 43.02 41.33 3kf3 s PHE 490 CO -0.07 0.67 0.76 0.09 0.70 0.00 0.00 175.22 177.37 3kf3 n ASN 491 N 2.12 -5.16 -3.72 1.36 3.02 0.47 -0.77 115.26 112.58 3kf3 n ASN 491 Ca -0.18 -1.04 -0.23 0.00 -0.03 0.00 0.00 54.58 53.09 3kf3 n ASN 491 Cb 0.54 -2.98 0.04 0.00 -0.61 0.00 0.00 39.78 36.77 3kf3 n ASN 491 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3kf3 n ASP 492 N -2.52 -2.65 0.00 6.41 2.03 -1.26 -2.67 116.55 115.89 3kf3 n ASP 492 Ca -0.11 -0.77 0.00 0.00 0.52 0.00 0.00 54.79 54.44 3kf3 n ASP 492 Cb 0.59 -4.20 0.00 0.00 -0.72 0.00 0.00 41.12 36.78 3kf3 n ASP 492 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kf3 n GLY 493 N -1.60 0.56 0.24 0.27 0.00 -1.09 -4.76 105.19 98.81 3kf3 n GLY 493 Ca -0.18 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 3kf3 n GLY 493 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kf3 h THR 494 N 0.00 1.17 -3.98 2.61 2.02 -0.72 -1.69 112.91 112.32 3kf3 h THR 494 Ca 0.00 -0.36 -0.35 0.00 0.77 0.00 0.00 66.41 66.47 3kf3 h THR 494 Cb 0.00 0.35 -0.25 0.00 -1.74 0.00 0.00 68.15 66.52 3kf3 h THR 494 CO 0.00 0.17 -0.76 0.68 0.37 0.00 0.00 175.52 175.98 3kf3 s VAL 495 N -6.03 0.71 0.06 3.16 -7.23 -1.16 -4.78 120.40 105.14 3kf3 s VAL 495 Ca -0.13 -0.79 0.08 0.00 -1.81 0.00 0.00 61.98 59.33 3kf3 s VAL 495 Cb 0.13 -0.67 -0.03 0.00 0.56 0.00 0.00 36.38 36.36 3kf3 s VAL 495 CO 0.76 -0.09 -0.20 0.00 -0.31 0.00 0.00 175.10 175.26 3kf3 s ALA 496 N -0.80 2.54 -0.07 1.32 0.00 -1.26 -0.75 121.76 122.74 3kf3 s ALA 496 Ca -0.02 -1.26 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 3kf3 s ALA 496 Cb -0.07 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.44 3kf3 s ALA 496 CO 0.00 0.57 0.12 1.41 0.00 0.00 0.00 175.76 177.87 3kf3 s MET 497 N -1.60 -0.01 -0.13 0.00 -2.45 -0.36 -1.52 119.30 113.23 3kf3 s MET 497 Ca 0.15 0.49 0.01 0.00 -1.25 0.00 0.00 55.69 55.09 3kf3 s MET 497 Cb -0.10 -0.38 -0.00 0.00 1.25 0.00 0.00 34.83 35.59 3kf3 s MET 497 CO 0.06 -0.32 -0.17 0.99 1.05 0.00 0.00 175.02 176.62 3kf3 s THR 498 N 2.25 2.58 -0.07 10.11 2.01 -1.26 -0.86 115.64 130.40 3kf3 s THR 498 Ca 0.04 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 3kf3 s THR 498 Cb -0.12 -2.06 0.03 0.00 0.01 0.00 0.00 72.50 70.36 3kf3 s THR 498 CO -0.05 0.53 0.18 0.20 -0.69 0.00 0.00 174.62 174.79 3kf3 s ASN 499 N 0.55 -0.17 0.62 3.53 0.01 -0.76 -1.73 114.94 117.00 3kf3 s ASN 499 Ca -0.11 0.37 -0.11 0.00 -0.71 0.00 0.00 52.86 52.30 3kf3 s ASN 499 Cb -0.16 0.30 -0.04 0.00 0.41 0.00 0.00 41.25 41.76 3kf3 s ASN 499 CO 0.04 -0.12 1.03 0.42 -1.51 0.00 0.00 177.10 176.96 3kf3 s THR 500 N 0.80 4.62 0.02 1.60 -4.23 -1.26 -0.71 115.64 116.49 3kf3 s THR 500 Ca -0.06 0.87 -0.11 0.00 -1.18 0.00 0.00 61.69 61.21 3kf3 s THR 500 Cb -0.07 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 69.97 3kf3 s THR 500 CO -0.04 -1.09 0.24 0.72 -0.54 0.00 0.00 174.62 173.90 3kf3 s PHE 501 N -3.13 -0.03 -0.31 3.99 -0.12 0.46 -4.89 117.98 113.95 3kf3 s PHE 501 Ca 0.56 -0.09 -0.02 0.00 -0.05 0.00 0.00 56.93 57.33 3kf3 s PHE 501 Cb -0.11 0.02 0.10 0.00 -0.63 0.00 0.00 43.02 42.40 3kf3 s PHE 501 CO 0.53 -0.42 0.11 -0.06 -0.05 0.00 0.00 175.22 175.33 3kf3 s PHE 502 N -2.15 1.36 0.72 3.49 0.08 -1.26 -4.55 117.98 115.66 3kf3 s PHE 502 Ca -0.08 -1.53 -0.11 0.00 0.12 0.00 0.00 56.93 55.33 3kf3 s PHE 502 Cb -0.03 -1.51 0.02 0.00 -0.57 0.00 0.00 43.02 40.93 3kf3 s PHE 502 CO -0.01 -0.87 1.07 -1.64 -0.10 0.00 0.00 175.22 173.67 3kf3 s MET 503 N 1.72 2.74 0.78 0.44 -1.94 -1.26 -4.84 119.30 116.94 3kf3 s MET 503 Ca 0.10 0.81 -0.15 0.00 -1.71 0.00 0.00 55.69 54.73 3kf3 s MET 503 Cb -0.17 -1.98 -0.01 0.00 2.01 0.00 0.00 34.83 34.68 3kf3 s MET 503 CO -0.28 -1.20 0.62 0.41 -0.01 0.00 0.00 175.02 174.56 3kf3 n GLY 504 N -2.16 -1.35 3.58 -0.03 0.00 -1.26 -4.80 105.19 99.16 3kf3 n GLY 504 Ca 0.07 -0.46 -0.55 0.00 0.00 0.00 0.00 46.02 45.09 3kf3 n GLY 504 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kf3 n GLU 505 N -1.29 0.83 0.00 1.61 2.13 -1.26 -1.05 120.64 121.61 3kf3 n GLU 505 Ca 0.10 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.22 3kf3 n GLU 505 Cb 0.51 -1.91 0.00 0.00 0.27 0.00 0.00 31.44 30.31 3kf3 n GLU 505 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kf3 n GLY 506 N 2.42 2.86 3.84 8.31 0.00 -1.26 -5.02 105.19 116.34 3kf3 n GLY 506 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3kf3 n GLY 506 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kf3 s LYS 507 N -0.25 3.93 0.15 1.61 1.02 -0.22 -4.83 119.74 121.16 3kf3 s LYS 507 Ca 0.00 0.42 -0.18 0.00 0.02 0.00 0.00 55.97 56.23 3kf3 s LYS 507 Cb 0.00 -3.08 0.04 0.00 -0.52 0.00 0.00 37.83 34.27 3kf3 s LYS 507 CO 0.00 0.59 0.48 1.52 -0.92 0.00 0.00 175.35 177.01 3kf3 s TYR 508 N -1.28 -0.23 0.13 3.18 -0.85 -1.26 -4.71 117.35 112.33 3kf3 s TYR 508 Ca 0.31 -0.07 -0.35 0.00 -0.52 0.00 0.00 57.07 56.43 3kf3 s TYR 508 Cb -0.16 0.35 -0.15 0.00 0.38 0.00 0.00 41.96 42.38 3kf3 s TYR 508 CO 0.17 -0.80 1.42 -2.30 -1.52 0.00 0.00 175.55 172.53 3kf3 n PRO 509 N -0.29 1.59 0.00 -3.49 -0.02 -1.26 -3.49 135.00 128.04 3kf3 n PRO 509 Ca -0.14 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3kf3 n PRO 509 Cb 0.64 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3kf3 n PRO 509 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3kf3 n HIS 510 N 2.76 0.00 -3.90 6.00 8.25 0.11 -3.87 115.22 124.56 3kf3 n HIS 510 Ca 0.17 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.54 3kf3 n HIS 510 Cb 0.24 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.27 3kf3 n HIS 510 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 3kf3 s ASP 511 N -3.45 0.18 -0.04 0.41 -4.77 -0.93 -4.79 116.67 103.27 3kf3 s ASP 511 Ca 0.00 -0.66 0.06 0.00 -3.30 0.00 0.00 52.55 48.65 3kf3 s ASP 511 Cb 0.00 0.30 -0.01 0.00 -1.09 0.00 0.00 42.92 42.12 3kf3 s ASP 511 CO 0.00 -0.67 -0.23 -0.63 0.70 0.00 0.00 175.17 174.34 3kf3 s ILE 512 N -3.59 1.85 0.09 2.11 1.01 -1.26 -1.19 121.20 120.22 3kf3 s ILE 512 Ca 0.03 -0.98 0.09 0.00 0.00 0.00 0.00 60.65 59.79 3kf3 s ILE 512 Cb 0.04 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 3kf3 s ILE 512 CO -0.09 0.52 -0.23 -1.10 0.00 0.00 0.00 174.94 174.04 3kf3 s GLN 513 N -0.30 1.32 -0.19 2.79 -0.21 -0.19 -1.53 119.66 121.35 3kf3 s GLN 513 Ca 0.02 -1.14 0.01 0.00 0.02 0.00 0.00 55.36 54.27 3kf3 s GLN 513 Cb -0.11 -1.59 0.03 0.00 1.00 0.00 0.00 33.01 32.34 3kf3 s GLN 513 CO 0.01 0.38 -0.16 0.42 -2.12 0.00 0.00 175.29 173.83 3kf3 s ILE 514 N -1.01 1.95 0.22 1.08 1.01 0.51 -0.17 121.20 124.79 3kf3 s ILE 514 Ca 0.09 -1.03 0.04 0.00 0.00 0.00 0.00 60.65 59.75 3kf3 s ILE 514 Cb -0.10 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 3kf3 s ILE 514 CO 0.04 0.38 -0.03 0.68 0.00 0.00 0.00 174.94 176.00 3kf3 s VAL 515 N 1.30 1.14 0.13 2.92 -7.23 0.02 -0.92 120.40 117.75 3kf3 s VAL 515 Ca 0.02 -2.05 -0.19 0.00 -1.81 0.00 0.00 61.98 57.94 3kf3 s VAL 515 Cb -0.15 -2.25 0.05 0.00 0.56 0.00 0.00 36.38 34.59 3kf3 s VAL 515 CO -0.11 -0.41 0.48 0.28 -0.31 0.00 0.00 175.10 175.03 3kf3 s THR 516 N -3.35 0.04 -1.58 5.32 -1.32 -1.26 -1.12 115.64 112.37 3kf3 s THR 516 Ca 0.26 -0.35 0.22 0.00 -1.21 0.00 0.00 61.69 60.61 3kf3 s THR 516 Cb 0.05 -1.09 -0.11 0.00 -1.51 0.00 0.00 72.50 69.84 3kf3 s THR 516 CO 0.07 -0.19 1.01 0.47 -2.21 0.00 0.00 174.62 173.77 3kf3 n ASP 517 N -0.22 1.58 -4.74 8.08 8.00 -1.26 -3.32 116.55 124.66 3kf3 n ASP 517 Ca -0.17 -1.29 -0.41 0.00 0.71 0.00 0.00 54.79 53.64 3kf3 n ASP 517 Cb 0.64 0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 42.42 3kf3 n ASP 517 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3kf3 s THR 518 N -2.71 3.24 0.04 -3.53 -4.23 -1.26 -4.64 115.64 102.56 3kf3 s THR 518 Ca 0.14 1.08 -0.12 0.00 -1.18 0.00 0.00 61.69 61.61 3kf3 s THR 518 Cb 0.17 -3.69 -0.33 0.00 1.34 0.00 0.00 72.50 69.99 3kf3 s THR 518 CO 0.70 0.19 1.04 -0.33 -0.54 0.00 0.00 174.62 175.68 3kf3 h GLU 519 N 4.88 0.46 -6.27 3.99 5.08 -1.93 -0.81 114.58 119.98 3kf3 h GLU 519 Ca -0.45 -0.78 -0.47 0.00 -1.00 0.00 0.00 59.36 56.66 3kf3 h GLU 519 Cb 1.22 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 3kf3 h GLU 519 CO 0.74 1.37 -0.37 -1.21 -1.00 0.00 0.00 179.01 178.54 3kf3 s GLU 520 N -2.62 3.45 -0.20 2.33 0.41 -1.26 -4.69 118.70 116.13 3kf3 s GLU 520 Ca -0.07 -0.64 -0.29 0.00 -0.41 0.00 0.00 54.97 53.55 3kf3 s GLU 520 Cb 0.05 -2.84 -0.02 0.00 -1.78 0.00 0.00 34.13 29.55 3kf3 s GLU 520 CO 0.93 0.36 1.40 -2.14 -0.49 0.00 0.00 175.26 175.32 3kf3 s PRO 521 N -4.02 4.06 -0.11 0.39 0.02 -1.26 -4.83 135.00 129.24 3kf3 s PRO 521 Ca 0.36 1.63 0.14 0.00 0.02 0.00 0.00 61.00 63.14 3kf3 s PRO 521 Cb -0.09 -3.88 -0.24 0.00 0.02 0.00 0.00 34.50 30.31 3kf3 s PRO 521 CO 0.31 -0.95 0.39 -0.11 -0.33 0.00 0.00 177.00 176.31 3kf3 n LEU 522 N 7.30 0.60 -4.23 -5.54 7.94 -1.26 -4.78 117.00 117.04 3kf3 n LEU 522 Ca 0.16 0.23 -0.32 0.00 -1.11 0.00 0.00 56.01 54.96 3kf3 n LEU 522 Cb 0.45 0.25 -0.17 0.00 0.53 0.00 0.00 43.42 44.48 3kf3 n LEU 522 CO 0.60 0.46 -0.56 -0.36 -1.11 0.00 0.00 177.39 176.42 3kf3 s PHE 523 N -2.55 2.53 -0.24 1.96 0.40 -1.26 0.17 117.98 118.99 3kf3 s PHE 523 Ca -0.08 -0.98 -0.06 0.00 -0.60 0.00 0.00 56.93 55.21 3kf3 s PHE 523 Cb 0.07 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 3kf3 s PHE 523 CO 0.82 -0.38 0.04 -2.00 0.70 0.00 0.00 175.22 174.40 3kf3 s GLU 524 N 0.24 3.58 -0.71 0.44 2.12 0.00 -1.98 118.70 122.40 3kf3 s GLU 524 Ca -0.16 -0.52 -0.22 0.00 0.36 0.00 0.00 54.97 54.43 3kf3 s GLU 524 Cb -0.17 -3.23 0.07 0.00 0.26 0.00 0.00 34.13 31.06 3kf3 s GLU 524 CO 0.08 -0.18 1.03 -0.51 -0.54 0.00 0.00 175.26 175.14 3kf3 s LEU 525 N 1.55 4.33 0.21 2.70 1.43 0.73 -0.12 118.68 129.50 3kf3 s LEU 525 Ca 0.06 -1.09 -0.08 0.00 -1.03 0.00 0.00 54.13 51.99 3kf3 s LEU 525 Cb -0.15 -2.43 0.16 0.00 0.03 0.00 0.00 46.19 43.80 3kf3 s LEU 525 CO 0.02 -1.44 1.79 -0.33 0.23 0.00 0.00 176.35 176.63 3kf3 h GLU 526 N 9.53 1.16 -3.09 1.70 5.08 -1.12 -0.79 114.58 127.05 3kf3 h GLU 526 Ca -0.22 -0.18 -0.21 0.00 -1.00 0.00 0.00 59.36 57.75 3kf3 h GLU 526 Cb 1.06 -0.20 -0.30 0.00 0.50 0.00 0.00 28.75 29.81 3kf3 h GLU 526 CO 1.19 0.91 -0.51 0.45 -1.00 0.00 0.00 179.01 180.05 3kf3 s SER 527 N -6.27 -0.22 -0.08 1.42 0.15 -1.09 -1.35 113.70 106.26 3kf3 s SER 527 Ca -0.13 0.46 -0.00 0.00 0.70 0.00 0.00 55.95 56.98 3kf3 s SER 527 Cb 0.16 0.35 0.02 0.00 -1.71 0.00 0.00 66.02 64.84 3kf3 s SER 527 CO 0.83 -0.16 -0.05 -0.69 1.20 0.00 0.00 173.24 174.37 3kf3 s VAL 528 N 1.17 0.73 -0.17 4.45 1.01 -0.36 -1.45 120.40 125.79 3kf3 s VAL 528 Ca -0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 3kf3 s VAL 528 Cb -0.10 -0.78 0.05 0.00 0.00 0.00 0.00 36.38 35.55 3kf3 s VAL 528 CO -0.07 0.30 -0.01 -0.63 0.00 0.00 0.00 175.10 174.68 3kf3 s ILE 529 N 1.50 0.84 -0.18 2.22 1.01 -0.37 -0.88 121.20 125.34 3kf3 s ILE 529 Ca -0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 3kf3 s ILE 529 Cb -0.13 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.19 3kf3 s ILE 529 CO -0.04 -0.00 -0.13 -0.63 0.00 0.00 0.00 174.94 174.14 3kf3 s ILE 530 N 1.74 2.74 -0.01 2.92 1.01 -0.17 -0.76 121.20 128.67 3kf3 s ILE 530 Ca -0.00 -0.72 0.07 0.00 0.00 0.00 0.00 60.65 60.00 3kf3 s ILE 530 Cb -0.16 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 3kf3 s ILE 530 CO -0.07 0.49 -0.21 -0.13 0.00 0.00 0.00 174.94 175.01 3kf3 s ARG 531 N 1.16 1.69 -0.22 2.79 0.52 -0.31 -0.19 118.95 124.39 3kf3 s ARG 531 Ca 0.01 -0.80 -0.20 0.00 -0.52 0.00 0.00 55.73 54.22 3kf3 s ARG 531 Cb -0.14 -1.67 -0.03 0.00 0.52 0.00 0.00 34.95 33.64 3kf3 s ARG 531 CO -0.05 0.45 0.60 -2.00 0.02 0.00 0.00 175.30 174.32 3kf3 s GLU 532 N -0.61 4.17 0.27 3.54 2.12 -0.02 -1.46 118.70 126.71 3kf3 s GLU 532 Ca 0.08 0.53 0.09 0.00 0.36 0.00 0.00 54.97 56.03 3kf3 s GLU 532 Cb -0.08 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 3kf3 s GLU 532 CO -0.00 -0.28 0.08 -0.51 -0.54 0.00 0.00 175.26 174.01 3kf3 s LEU 533 N 2.05 3.38 0.03 2.70 1.02 -0.60 -0.18 118.68 127.08 3kf3 s LEU 533 Ca 0.26 -0.55 -0.04 0.00 0.02 0.00 0.00 54.13 53.83 3kf3 s LEU 533 Cb -0.16 -1.90 -0.02 0.00 0.02 0.00 0.00 46.19 44.14 3kf3 s LEU 533 CO 0.10 -0.06 0.05 0.21 0.02 0.00 0.00 176.35 176.67 3kf3 s ASN 534 N -3.75 0.21 0.00 2.29 2.47 -0.22 -4.50 114.94 111.45 3kf3 s ASN 534 Ca 0.33 -0.53 0.00 0.00 0.42 0.00 0.00 52.86 53.07 3kf3 s ASN 534 Cb -0.06 0.18 0.00 0.00 -1.45 0.00 0.00 41.25 39.92 3kf3 s ASN 534 CO 0.22 -0.44 0.04 0.29 -3.72 0.00 0.00 177.10 173.49