#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 -3.79 1.45 0.02 -2.05 -3.44 113.55 105.73 3kf3 h SER 28 Ca 0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 3kf3 h SER 28 Cb 0.00 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.38 3kf3 h SER 28 CO 0.00 0.70 -0.40 -0.69 -1.14 0.00 0.00 176.83 175.30 3kf3 s VAL 29 N -3.36 5.26 -0.19 2.27 1.01 -1.26 -5.05 120.40 119.08 3kf3 s VAL 29 Ca -0.00 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.32 3kf3 s VAL 29 Cb 0.12 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.94 3kf3 s VAL 29 CO 0.77 0.22 -0.09 -0.62 0.00 0.00 0.00 175.10 175.38 3kf3 s ASP 30 N 1.63 3.29 0.00 3.32 3.68 -1.26 -4.02 116.67 123.32 3kf3 s ASP 30 Ca 0.10 -0.85 0.27 0.00 2.13 0.00 0.00 52.55 54.20 3kf3 s ASP 30 Cb -0.16 -1.17 0.84 0.00 -1.45 0.00 0.00 42.92 40.99 3kf3 s ASP 30 CO 0.10 -0.15 1.62 0.35 0.13 0.00 0.00 175.17 177.22 3kf3 n THR 31 N 4.72 0.00 -0.34 1.71 -2.24 0.17 -4.58 114.28 113.73 3kf3 n THR 31 Ca -0.14 -0.18 0.12 0.00 -2.27 0.00 0.00 64.05 61.58 3kf3 n THR 31 Cb 0.47 0.47 0.25 0.00 -2.10 0.00 0.00 70.33 69.42 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 1.72 -0.54 -1.00 3.42 0.02 -1.92 -0.43 113.55 114.83 3kf3 h SER 32 Ca 0.00 0.27 0.22 0.00 -0.84 0.00 0.00 61.79 61.44 3kf3 h SER 32 Cb 0.52 0.49 -0.12 0.00 0.14 0.00 0.00 62.40 63.43 3kf3 h SER 32 CO 0.00 -0.33 0.59 -0.08 -1.14 0.00 0.00 176.83 175.87 3kf3 h GLU 33 N 0.02 0.63 0.00 3.45 4.57 -1.92 -1.46 114.58 119.87 3kf3 h GLU 33 Ca 0.56 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.70 3kf3 h GLU 33 Cb 1.10 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 3kf3 h GLU 33 CO -0.91 0.42 -0.86 2.48 -1.18 0.00 0.00 179.01 178.95 3kf3 n TYR 34 N -4.85 0.00 -0.00 0.92 0.18 -0.79 -4.83 117.16 107.79 3kf3 n TYR 34 Ca 0.25 0.00 0.01 0.00 1.88 0.00 0.00 57.90 60.04 3kf3 n TYR 34 Cb 0.67 -0.09 -0.02 0.00 -0.38 0.00 0.00 39.34 39.51 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 -1.48 4.34 -4.62 9.48 4.13 -0.24 -4.58 115.26 122.30 3kf3 n ASN 35 Ca 0.00 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.86 3kf3 n ASN 35 Cb 0.18 1.12 -0.07 0.00 -1.54 0.00 0.00 39.78 39.46 3kf3 n ASN 35 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 3kf3 s ARG 36 N -2.20 4.06 0.55 3.52 6.06 -0.59 -4.25 118.95 126.11 3kf3 s ARG 36 Ca -0.01 0.33 -0.20 0.00 -2.50 0.00 0.00 55.73 53.35 3kf3 s ARG 36 Cb 0.02 -3.66 -0.07 0.00 0.06 0.00 0.00 34.95 31.30 3kf3 s ARG 36 CO 0.12 -0.36 0.85 -2.30 -2.50 0.00 0.00 175.30 171.11 3kf3 n PRO 37 N 5.56 0.88 0.02 5.12 -0.02 -1.26 -4.86 135.00 140.44 3kf3 n PRO 37 Ca -0.04 0.33 -0.15 0.00 -2.02 0.00 0.00 63.50 61.62 3kf3 n PRO 37 Cb 0.50 -2.01 -0.14 0.00 -0.02 0.00 0.00 33.50 31.83 3kf3 n PRO 37 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kf3 h LEU 38 N 0.64 0.26 -2.44 2.45 3.38 -1.94 -3.42 115.31 114.25 3kf3 h LEU 38 Ca -0.47 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.02 3kf3 h LEU 38 Cb 1.37 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3kf3 h LEU 38 CO 0.51 1.42 -0.09 2.30 0.09 0.00 0.00 178.44 182.67 3kf3 n ILE 39 N -3.33 0.90 -4.28 1.22 -5.35 -1.26 -4.83 119.36 102.43 3kf3 n ILE 39 Ca -0.21 -1.01 -0.34 0.00 -0.27 0.00 0.00 62.75 60.92 3kf3 n ILE 39 Cb 1.04 0.38 -0.11 0.00 -1.74 0.00 0.00 39.64 39.22 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 -1.19 3.13 0.21 4.28 3.76 -1.26 -4.75 115.29 119.46 3kf3 s HIS 40 Ca 0.09 -0.06 -0.32 0.00 -0.15 0.00 0.00 55.06 54.63 3kf3 s HIS 40 Cb 0.08 -1.95 -0.11 0.00 1.11 0.00 0.00 32.58 31.71 3kf3 s HIS 40 CO 0.01 0.16 1.66 0.12 -0.85 0.00 0.00 174.74 175.84 3kf3 s PHE 41 N 0.02 2.92 0.00 1.40 5.36 -1.26 -4.77 117.98 121.66 3kf3 s PHE 41 Ca 0.03 0.49 0.03 0.00 -0.96 0.00 0.00 56.93 56.52 3kf3 s PHE 41 Cb -0.13 -4.07 -0.01 0.00 -0.34 0.00 0.00 43.02 38.47 3kf3 s PHE 41 CO 0.02 -3.95 -0.10 0.99 -1.46 0.00 0.00 175.22 170.71 3kf3 s THR 42 N 0.96 0.81 0.46 0.12 2.01 -1.26 -1.82 115.64 116.93 3kf3 s THR 42 Ca 0.72 -0.53 -0.23 0.00 0.31 0.00 0.00 61.69 61.96 3kf3 s THR 42 Cb -0.48 -0.70 -0.07 0.00 0.01 0.00 0.00 72.50 71.26 3kf3 s THR 42 CO 0.34 0.16 1.18 -2.16 -0.69 0.00 0.00 174.62 173.46 3kf3 s PRO 43 N -0.41 3.74 0.23 4.92 0.04 -1.26 -4.93 135.00 137.33 3kf3 s PRO 43 Ca 0.03 1.83 -0.06 0.00 0.04 0.00 0.00 61.00 62.84 3kf3 s PRO 43 Cb -0.05 -2.42 0.33 0.00 0.04 0.00 0.00 34.50 32.41 3kf3 s PRO 43 CO -0.00 -0.58 1.82 1.49 0.04 0.00 0.00 177.00 179.77 3kf3 h GLU 44 N 2.06 0.80 -3.21 4.56 4.81 -1.99 -3.44 114.58 118.16 3kf3 h GLU 44 Ca -0.49 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 58.55 3kf3 h GLU 44 Cb 1.25 -0.18 -0.22 0.00 0.63 0.00 0.00 28.75 30.23 3kf3 h GLU 44 CO 0.60 0.53 -0.39 -1.59 -0.73 0.00 0.00 179.01 177.44 3kf3 s LYS 45 N -6.06 0.50 0.34 1.92 -2.85 -1.26 -4.47 119.74 107.86 3kf3 s LYS 45 Ca -0.13 -0.10 0.00 0.00 -1.00 0.00 0.00 55.97 54.75 3kf3 s LYS 45 Cb 0.18 0.22 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 3kf3 s LYS 45 CO 0.78 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 176.52 3kf3 n GLY 46 N 1.82 -1.83 3.48 0.59 0.00 -0.06 -4.78 105.19 104.41 3kf3 n GLY 46 Ca -0.19 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 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 2.82 -0.04 1.61 -0.11 0.01 -1.46 118.94 121.77 3kf3 s TRP 47 Ca 0.00 -0.23 0.04 0.00 1.22 0.00 0.00 56.10 57.13 3kf3 s TRP 47 Cb 0.00 -1.73 -0.00 0.00 -1.50 0.00 0.00 33.47 30.24 3kf3 s TRP 47 CO 0.00 0.12 -0.15 1.41 -4.62 0.00 0.00 176.95 173.71 3kf3 s MET 48 N -0.41 1.53 0.00 5.86 1.75 -1.07 -1.43 119.30 125.54 3kf3 s MET 48 Ca 0.05 -0.53 0.00 0.00 -1.25 0.00 0.00 55.69 53.97 3kf3 s MET 48 Cb -0.12 -1.36 0.00 0.00 2.84 0.00 0.00 34.83 36.19 3kf3 s MET 48 CO 0.02 0.22 0.00 0.27 -0.65 0.00 0.00 175.02 174.88 3kf3 n ASN 49 N 3.15 0.00 -4.58 1.11 6.94 -0.64 -4.64 115.26 116.59 3kf3 n ASN 49 Ca -0.18 0.00 -0.50 0.00 -0.02 0.00 0.00 54.58 53.88 3kf3 n ASN 49 Cb 0.53 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.91 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 1.47 -4.77 0.53 8.00 -1.26 -4.39 116.55 116.14 3kf3 n ASP 50 Ca 0.00 1.13 -0.39 0.00 0.71 0.00 0.00 54.79 56.25 3kf3 n ASP 50 Cb 0.00 -1.21 -0.01 0.00 -0.02 0.00 0.00 41.12 39.87 3kf3 n ASP 50 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3kf3 s PRO 51 N -0.10 4.04 0.11 -0.24 0.04 -1.26 -0.97 135.00 136.61 3kf3 s PRO 51 Ca 0.77 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.79 3kf3 s PRO 51 Cb -0.88 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.90 3kf3 s PRO 51 CO 0.50 -0.37 -0.08 -0.80 0.04 0.00 0.00 177.00 176.30 3kf3 s ASN 52 N -0.98 1.30 -1.30 6.66 0.01 0.15 -4.80 114.94 115.99 3kf3 s ASN 52 Ca 0.57 -0.99 -0.10 0.00 -0.71 0.00 0.00 52.86 51.62 3kf3 s ASN 52 Cb -0.34 0.07 0.08 0.00 0.41 0.00 0.00 41.25 41.47 3kf3 s ASN 52 CO 0.43 -0.42 0.51 0.61 -1.51 0.00 0.00 177.10 176.71 3kf3 n GLY 53 N -0.02 -0.48 3.68 0.66 0.00 -0.53 -1.53 105.19 106.97 3kf3 n GLY 53 Ca -0.12 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -6.53 4.35 0.18 0.99 1.43 -1.26 -4.44 118.68 113.40 3kf3 s LEU 54 Ca 0.43 2.39 -0.21 0.00 -1.03 0.00 0.00 54.13 55.71 3kf3 s LEU 54 Cb -0.23 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.49 3kf3 s LEU 54 CO 0.52 -0.90 0.58 0.72 0.23 0.00 0.00 176.35 177.50 3kf3 s PHE 55 N 3.19 -0.36 -0.19 0.29 -0.12 -1.15 -1.02 117.98 118.62 3kf3 s PHE 55 Ca 0.74 0.08 -0.03 0.00 -0.05 0.00 0.00 56.93 57.67 3kf3 s PHE 55 Cb -0.37 0.51 -0.01 0.00 -0.63 0.00 0.00 43.02 42.52 3kf3 s PHE 55 CO 0.32 -0.90 -0.07 -0.47 -0.05 0.00 0.00 175.22 174.04 3kf3 s TYR 56 N -3.81 2.92 -0.52 3.49 5.04 -0.59 -0.44 117.35 123.45 3kf3 s TYR 56 Ca 0.04 -0.79 -0.25 0.00 -2.44 0.00 0.00 57.07 53.63 3kf3 s TYR 56 Cb -0.01 -2.01 0.03 0.00 0.35 0.00 0.00 41.96 40.32 3kf3 s TYR 56 CO -0.08 -0.40 0.98 0.34 -1.34 0.00 0.00 175.55 175.05 3kf3 s ASP 57 N 1.03 6.43 0.32 4.32 -1.08 0.14 -4.77 116.67 123.06 3kf3 s ASP 57 Ca 0.00 -0.06 0.06 0.00 -0.52 0.00 0.00 52.55 52.03 3kf3 s ASP 57 Cb -0.15 -2.46 0.55 0.00 -1.46 0.00 0.00 42.92 39.40 3kf3 s ASP 57 CO -0.00 -1.19 1.79 0.11 0.52 0.00 0.00 175.17 176.39 3kf3 h LYS 58 N 9.25 0.34 0.07 4.34 1.57 -1.87 0.23 116.57 130.50 3kf3 h LYS 58 Ca -0.25 -0.11 -0.16 0.00 -1.87 0.00 0.00 60.65 58.26 3kf3 h LYS 58 Cb 1.07 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 33.37 3kf3 h LYS 58 CO 1.08 0.56 -0.66 1.79 -0.57 0.00 0.00 179.45 181.65 3kf3 h THR 59 N 0.31 1.50 0.00 -0.16 1.35 -1.92 -3.27 112.91 110.71 3kf3 h THR 59 Ca 0.05 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 3kf3 h THR 59 Cb 0.59 2.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 3kf3 h THR 59 CO 0.04 0.66 0.00 0.00 -0.25 0.00 0.00 175.52 175.97 3kf3 n ALA 60 N -2.63 2.22 -3.55 6.62 0.00 -1.22 -4.95 120.51 117.00 3kf3 n ALA 60 Ca -0.12 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 3kf3 n ALA 60 Cb 0.73 -1.45 0.06 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 -1.85 -4.82 -4.22 0.00 4.01 0.74 -5.00 118.16 107.02 3kf3 n LYS 61 Ca 0.06 0.71 -0.19 0.00 -0.51 0.00 0.00 58.31 58.38 3kf3 n LYS 61 Cb 0.36 -5.41 -0.16 0.00 -0.51 0.00 0.00 35.03 29.31 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 -6.39 1.53 -0.07 -0.35 2.96 -0.81 -4.71 118.68 110.85 3kf3 s LEU 62 Ca 0.10 -0.14 -0.22 0.00 -0.22 0.00 0.00 54.13 53.65 3kf3 s LEU 62 Cb -0.02 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.19 3kf3 s LEU 62 CO 0.78 -0.01 0.63 0.26 -1.32 0.00 0.00 176.35 176.69 3kf3 s TRP 63 N 0.60 3.58 -0.15 5.38 0.52 0.37 -0.68 118.94 128.55 3kf3 s TRP 63 Ca -0.08 1.16 -0.04 0.00 0.02 0.00 0.00 56.10 57.15 3kf3 s TRP 63 Cb -0.12 -2.72 -0.03 0.00 -1.15 0.00 0.00 33.47 29.45 3kf3 s TRP 63 CO 0.00 0.14 -0.01 -1.01 0.02 0.00 0.00 176.95 176.09 3kf3 s HIS 64 N 0.63 3.09 -0.18 -1.98 3.76 0.41 -1.24 115.29 119.78 3kf3 s HIS 64 Ca 0.34 -0.15 0.01 0.00 -0.15 0.00 0.00 55.06 55.10 3kf3 s HIS 64 Cb -0.17 -1.97 0.02 0.00 1.11 0.00 0.00 32.58 31.57 3kf3 s HIS 64 CO 0.16 0.07 -0.18 -1.17 -0.85 0.00 0.00 174.74 172.77 3kf3 s LEU 65 N 0.22 2.21 0.37 0.89 2.96 0.20 -2.94 118.68 122.59 3kf3 s LEU 65 Ca -0.01 -0.63 0.08 0.00 -0.22 0.00 0.00 54.13 53.35 3kf3 s LEU 65 Cb -0.13 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3kf3 s LEU 65 CO 0.02 -0.00 0.29 -0.31 -1.32 0.00 0.00 176.35 175.03 3kf3 s TYR 66 N 1.31 2.78 -0.15 5.38 1.51 -0.58 -0.15 117.35 127.44 3kf3 s TYR 66 Ca 0.05 -0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 55.41 3kf3 s TYR 66 Cb -0.13 -1.92 0.10 0.00 -0.11 0.00 0.00 41.96 39.89 3kf3 s TYR 66 CO -0.12 0.10 0.85 -0.59 -1.11 0.00 0.00 175.55 174.68 3kf3 s PHE 67 N -2.41 -0.55 -0.00 2.71 -0.12 -0.95 0.35 117.98 117.01 3kf3 s PHE 67 Ca 0.43 1.07 -0.32 0.00 -0.05 0.00 0.00 56.93 58.06 3kf3 s PHE 67 Cb -0.04 0.40 -0.11 0.00 -0.63 0.00 0.00 43.02 42.64 3kf3 s PHE 67 CO 0.26 -0.43 1.88 1.04 -0.05 0.00 0.00 175.22 177.92 3kf3 n GLN 68 N 1.29 2.47 -3.74 1.99 1.13 -0.15 -0.43 117.38 119.95 3kf3 n GLN 68 Ca -0.14 0.91 -0.19 0.00 -1.94 0.00 0.00 57.00 55.63 3kf3 n GLN 68 Cb 0.57 -2.79 -0.17 0.00 0.11 0.00 0.00 30.24 27.96 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 3.75 0.18 -0.34 1.08 5.04 0.44 -1.63 117.35 125.87 3kf3 s TYR 69 Ca 0.89 0.13 -0.01 0.00 -2.44 0.00 0.00 57.07 55.65 3kf3 s TYR 69 Cb -0.58 -0.47 0.08 0.00 0.35 0.00 0.00 41.96 41.34 3kf3 s TYR 69 CO 0.46 -0.18 0.07 1.21 -1.34 0.00 0.00 175.55 175.76 3kf3 s ASN 70 N 1.76 4.95 0.16 4.32 2.47 -0.52 -1.16 114.94 126.93 3kf3 s ASN 70 Ca 0.00 -1.73 0.22 0.00 0.42 0.00 0.00 52.86 51.78 3kf3 s ASN 70 Cb -0.12 -1.72 0.89 0.00 -1.45 0.00 0.00 41.25 38.84 3kf3 s ASN 70 CO -0.03 -0.38 1.69 -0.81 -3.72 0.00 0.00 177.10 173.85 3kf3 n PRO 71 N 4.52 0.14 0.00 0.43 -0.04 -1.26 -0.81 135.00 137.98 3kf3 n PRO 71 Ca -0.06 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 3kf3 n PRO 71 Cb 0.42 -1.74 0.02 0.00 -0.04 0.00 0.00 33.50 32.16 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 -2.00 2.19 -3.62 3.54 3.02 -1.26 -4.54 115.26 112.59 3kf3 n ASN 72 Ca 0.04 -1.59 -0.10 0.00 -0.03 0.00 0.00 54.58 52.89 3kf3 n ASN 72 Cb 0.26 0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 39.79 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 -2.33 -1.31 -0.43 5.41 0.00 -1.25 -5.03 121.76 116.83 3kf3 s ALA 73 Ca 0.20 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 3kf3 s ALA 73 Cb 0.18 0.86 0.27 0.00 0.00 0.00 0.00 23.12 24.43 3kf3 s ALA 73 CO 0.51 -0.84 2.08 -2.37 0.00 0.00 0.00 175.76 175.13 3kf3 n THR 74 N -0.38 3.06 -3.57 0.00 5.66 -1.26 -2.04 114.28 115.74 3kf3 n THR 74 Ca -0.12 -2.13 -0.11 0.00 -3.05 0.00 0.00 64.05 58.64 3kf3 n THR 74 Cb 0.63 -1.31 -0.03 0.00 -1.55 0.00 0.00 70.33 68.07 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 -2.38 -1.31 0.36 1.79 0.00 -1.26 -4.79 121.76 114.17 3kf3 s ALA 75 Ca 0.42 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 3kf3 s ALA 75 Cb 0.33 0.84 -0.11 0.00 0.00 0.00 0.00 23.12 24.18 3kf3 s ALA 75 CO -0.03 -0.79 1.53 -0.46 0.00 0.00 0.00 175.76 176.01 3kf3 s TRP 76 N -3.80 2.60 -0.14 0.00 -0.00 -1.26 -4.74 118.94 111.59 3kf3 s TRP 76 Ca 0.04 1.05 -0.30 0.00 -0.00 0.00 0.00 56.10 56.89 3kf3 s TRP 76 Cb -0.01 -4.06 0.12 0.00 -0.00 0.00 0.00 33.47 29.52 3kf3 s TRP 76 CO -0.08 -3.23 0.99 0.20 -0.00 0.00 0.00 176.95 174.82 3kf3 s GLY 77 N 0.04 -0.29 -0.26 5.86 0.00 -1.26 -5.08 107.32 106.33 3kf3 s GLY 77 Ca 0.56 1.92 -0.08 0.00 0.00 0.00 0.00 44.72 47.12 3kf3 s GLY 77 CO 0.60 0.96 0.08 1.20 0.00 0.00 0.00 173.10 175.94 3kf3 s GLN 78 N -1.32 3.57 -0.39 2.90 -0.21 -1.26 -3.96 119.66 118.99 3kf3 s GLN 78 Ca -0.01 -0.53 -0.25 0.00 0.02 0.00 0.00 55.36 54.58 3kf3 s GLN 78 Cb -0.00 -3.36 0.02 0.00 1.00 0.00 0.00 33.01 30.66 3kf3 s GLN 78 CO 0.01 -0.24 0.90 -1.25 -2.12 0.00 0.00 175.29 172.59 3kf3 s PRO 79 N 1.61 3.75 -0.12 2.91 0.04 -1.22 -4.88 135.00 137.08 3kf3 s PRO 79 Ca 0.06 0.44 -0.04 0.00 0.04 0.00 0.00 61.00 61.50 3kf3 s PRO 79 Cb -0.15 -3.83 -0.03 0.00 0.04 0.00 0.00 34.50 30.52 3kf3 s PRO 79 CO 0.04 -1.00 0.02 -1.17 0.04 0.00 0.00 177.00 174.93 3kf3 s LEU 80 N 3.48 3.64 0.26 -3.56 2.96 -1.08 -4.79 118.68 119.58 3kf3 s LEU 80 Ca 0.37 0.11 0.10 0.00 -0.22 0.00 0.00 54.13 54.48 3kf3 s LEU 80 Cb -0.12 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 3kf3 s LEU 80 CO 0.20 0.30 -0.17 -0.31 -1.32 0.00 0.00 176.35 175.05 3kf3 s TYR 81 N -0.39 2.06 -0.44 5.38 1.51 -0.31 -1.12 117.35 124.04 3kf3 s TYR 81 Ca 0.08 -0.45 -0.24 0.00 -1.01 0.00 0.00 57.07 55.44 3kf3 s TYR 81 Cb -0.12 -0.94 0.02 0.00 -0.11 0.00 0.00 41.96 40.81 3kf3 s TYR 81 CO 0.02 0.55 0.87 -1.58 -1.11 0.00 0.00 175.55 174.30 3kf3 s TRP 82 N -2.72 2.97 0.92 2.71 0.52 -0.43 -0.42 118.94 122.49 3kf3 s TRP 82 Ca 0.27 0.35 -0.14 0.00 0.02 0.00 0.00 56.10 56.61 3kf3 s TRP 82 Cb -0.02 -3.80 0.15 0.00 -1.15 0.00 0.00 33.47 28.64 3kf3 s TRP 82 CO 0.12 -1.01 1.19 0.20 0.02 0.00 0.00 176.95 177.46 3kf3 s GLY 83 N 2.16 1.62 -0.19 0.98 0.00 0.43 -1.00 107.32 111.33 3kf3 s GLY 83 Ca 0.34 -0.74 -0.11 0.00 0.00 0.00 0.00 44.72 44.22 3kf3 s GLY 83 CO 0.24 -0.13 0.46 -1.58 0.00 0.00 0.00 173.10 172.09 3kf3 s HIS 84 N -3.47 -0.68 0.04 1.90 2.46 -1.26 -2.25 115.29 112.04 3kf3 s HIS 84 Ca 0.66 1.43 0.01 0.00 0.47 0.00 0.00 55.06 57.63 3kf3 s HIS 84 Cb -0.11 0.32 -0.03 0.00 -0.13 0.00 0.00 32.58 32.64 3kf3 s HIS 84 CO 0.52 -0.37 -0.06 0.00 -2.47 0.00 0.00 174.74 172.37 3kf3 s ALA 85 N 1.38 0.47 0.16 1.58 0.00 0.78 -0.01 121.76 126.12 3kf3 s ALA 85 Ca -0.09 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.14 3kf3 s ALA 85 Cb -0.08 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 3kf3 s ALA 85 CO -0.13 -0.11 -0.17 0.95 0.00 0.00 0.00 175.76 176.30 3kf3 s THR 86 N -1.84 1.66 -0.06 0.00 -4.23 -0.31 -0.63 115.64 110.24 3kf3 s THR 86 Ca -0.08 -1.88 -0.10 0.00 -1.18 0.00 0.00 61.69 58.44 3kf3 s THR 86 Cb -0.07 -1.77 0.02 0.00 1.34 0.00 0.00 72.50 72.02 3kf3 s THR 86 CO -0.01 -0.37 0.26 -0.55 -0.54 0.00 0.00 174.62 173.40 3kf3 s SER 87 N -2.66 -0.20 0.00 3.99 0.15 -0.37 -0.30 113.70 114.30 3kf3 s SER 87 Ca 0.14 0.29 0.26 0.00 0.70 0.00 0.00 55.95 57.34 3kf3 s SER 87 Cb -0.05 0.43 0.61 0.00 -1.71 0.00 0.00 66.02 65.30 3kf3 s SER 87 CO 0.05 -0.24 1.48 -0.46 1.20 0.00 0.00 173.24 175.27 3kf3 n ASN 88 N 2.23 1.28 0.00 5.45 6.94 -1.26 -0.48 115.26 129.42 3kf3 n ASN 88 Ca -0.17 -1.07 0.00 0.00 -0.02 0.00 0.00 54.58 53.33 3kf3 n ASN 88 Cb 0.57 0.20 0.00 0.00 -2.36 0.00 0.00 39.78 38.19 3kf3 n ASN 88 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3kf3 n ASP 89 N -0.45 0.00 0.00 0.53 5.68 -1.26 -4.91 116.55 116.14 3kf3 n ASP 89 Ca 0.12 -0.93 0.00 0.00 -0.50 0.00 0.00 54.79 53.48 3kf3 n ASP 89 Cb 0.38 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 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 0.00 0.32 0.00 -2.12 4.77 -1.26 -4.62 117.00 114.08 3kf3 n LEU 90 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kf3 n LEU 90 Cb 0.23 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 3kf3 n LEU 90 CO 0.00 -0.28 -0.37 1.33 -1.33 0.00 0.00 177.39 176.74 3kf3 n VAL 91 N -2.52 0.00 -3.45 4.08 0.24 -1.26 -4.63 118.33 110.79 3kf3 n VAL 91 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 3kf3 n VAL 91 Cb 0.12 -0.64 -0.10 0.00 -1.47 0.00 0.00 33.84 31.75 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 -1.75 3.22 -0.08 6.34 3.76 -1.26 -4.65 115.29 120.88 3kf3 s HIS 92 Ca 0.00 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 3kf3 s HIS 92 Cb 0.00 -2.61 -0.03 0.00 1.11 0.00 0.00 32.58 31.05 3kf3 s HIS 92 CO 0.00 -0.46 -0.07 -1.58 -0.85 0.00 0.00 174.74 171.78 3kf3 s TRP 93 N 1.86 2.94 -0.30 1.40 0.52 -1.26 -4.24 118.94 119.86 3kf3 s TRP 93 Ca 0.08 -0.01 -0.03 0.00 0.02 0.00 0.00 56.10 56.16 3kf3 s TRP 93 Cb -0.17 -1.73 0.04 0.00 -1.15 0.00 0.00 33.47 30.45 3kf3 s TRP 93 CO 0.11 0.30 0.02 -0.51 0.02 0.00 0.00 176.95 176.89 3kf3 s ASP 94 N -0.71 4.89 0.05 2.95 1.01 0.59 -4.94 116.67 120.51 3kf3 s ASP 94 Ca 0.11 -1.11 -0.30 0.00 0.71 0.00 0.00 52.55 51.96 3kf3 s ASP 94 Cb -0.11 -1.75 -0.04 0.00 1.01 0.00 0.00 42.92 42.02 3kf3 s ASP 94 CO 0.02 -0.24 1.02 -0.70 0.21 0.00 0.00 175.17 175.47 3kf3 s GLU 95 N 1.32 4.57 0.52 8.23 2.12 -1.26 -1.16 118.70 133.05 3kf3 s GLU 95 Ca -0.03 1.50 0.05 0.00 0.36 0.00 0.00 54.97 56.85 3kf3 s GLU 95 Cb -0.19 -3.41 0.05 0.00 0.26 0.00 0.00 34.13 30.84 3kf3 s GLU 95 CO -0.01 -0.01 0.39 0.72 -0.54 0.00 0.00 175.26 175.81 3kf3 n HIS 96 N 3.56 -0.62 -1.41 5.30 8.25 0.99 -4.98 115.22 126.31 3kf3 n HIS 96 Ca 0.05 -2.22 -0.33 0.00 -0.26 0.00 0.00 57.72 54.96 3kf3 n HIS 96 Cb 0.50 -0.43 0.09 0.00 1.12 0.00 0.00 29.99 31.27 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 -4.16 2.18 0.25 -0.41 0.41 -1.26 -4.55 118.70 111.18 3kf3 s GLU 97 Ca 0.30 1.59 -0.29 0.00 -0.41 0.00 0.00 54.97 56.15 3kf3 s GLU 97 Cb -0.02 -1.86 -0.15 0.00 -1.78 0.00 0.00 34.13 30.32 3kf3 s GLU 97 CO 0.19 -1.76 0.99 -0.89 -0.49 0.00 0.00 175.26 173.29 3kf3 n ILE 98 N -2.89 1.76 -0.04 -1.63 5.41 -1.26 -4.43 119.36 116.28 3kf3 n ILE 98 Ca 0.12 -0.44 -0.21 0.00 1.00 0.00 0.00 62.75 63.22 3kf3 n ILE 98 Cb 0.51 -0.86 -0.13 0.00 -0.71 0.00 0.00 39.64 38.45 3kf3 n ILE 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kf3 n ALA 99 N 0.47 1.02 -2.88 -1.39 0.00 -0.17 -4.93 120.51 112.63 3kf3 n ALA 99 Ca 0.12 -0.72 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 3kf3 n ALA 99 Cb 0.30 -0.52 -0.14 0.00 0.00 0.00 0.00 19.45 19.09 3kf3 n ALA 99 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kf3 s ILE 100 N -2.54 0.01 0.11 0.00 1.01 -1.18 -3.87 121.20 114.75 3kf3 s ILE 100 Ca -0.26 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.37 3kf3 s ILE 100 Cb 0.07 -0.03 -0.04 0.00 0.01 0.00 0.00 42.46 42.47 3kf3 s ILE 100 CO 0.71 -0.02 -0.06 -0.83 0.00 0.00 0.00 174.94 174.74 3kf3 s GLY 101 N -0.07 0.87 0.74 6.18 0.00 -1.26 -1.32 107.32 112.47 3kf3 s GLY 101 Ca -0.01 -1.40 -0.12 0.00 0.00 0.00 0.00 44.72 43.19 3kf3 s GLY 101 CO -0.00 -1.49 1.12 2.56 0.00 0.00 0.00 173.10 175.29 3kf3 s PRO 102 N -3.83 2.53 0.19 2.90 0.04 -1.26 -4.88 135.00 130.70 3kf3 s PRO 102 Ca 0.14 0.40 0.04 0.00 0.04 0.00 0.00 61.00 61.63 3kf3 s PRO 102 Cb 0.05 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.69 3kf3 s PRO 102 CO -0.03 -1.25 1.45 0.93 0.04 0.00 0.00 177.00 178.14 3kf3 h GLU 103 N -0.81 0.16 -4.81 4.56 5.08 -1.96 -3.46 114.58 113.33 3kf3 h GLU 103 Ca -0.46 -0.16 -0.26 0.00 -1.00 0.00 0.00 59.36 57.48 3kf3 h GLU 103 Cb 1.27 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.41 3kf3 h GLU 103 CO 0.64 0.86 -0.71 -1.01 -1.00 0.00 0.00 179.01 177.79 3kf3 s HIS 104 N -3.37 1.03 0.02 4.33 3.76 -1.26 -5.02 115.29 114.78 3kf3 s HIS 104 Ca -0.03 -0.84 0.31 0.00 -0.15 0.00 0.00 55.06 54.35 3kf3 s HIS 104 Cb 0.11 -0.56 1.50 0.00 1.11 0.00 0.00 32.58 34.74 3kf3 s HIS 104 CO 0.81 -0.06 1.93 -0.44 -0.85 0.00 0.00 174.74 176.13 3kf3 h ASP 105 N 2.96 0.00 0.53 1.40 3.32 -1.95 -1.73 116.42 120.96 3kf3 h ASP 105 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3kf3 h ASP 105 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3kf3 h ASP 105 CO 0.63 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.74 3kf3 n ASN 106 N -2.64 0.40 -4.21 6.45 5.03 -1.26 -3.45 115.26 115.58 3kf3 n ASN 106 Ca -0.01 0.61 -0.25 0.00 0.87 0.00 0.00 54.58 55.80 3kf3 n ASN 106 Cb 0.15 -0.69 -0.08 0.00 -1.02 0.00 0.00 39.78 38.13 3kf3 n ASN 106 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3kf3 s GLU 107 N -3.22 1.90 -0.11 3.52 2.02 -0.65 -4.48 118.70 117.68 3kf3 s GLU 107 Ca 0.04 -2.15 -0.22 0.00 0.02 0.00 0.00 54.97 52.66 3kf3 s GLU 107 Cb 0.08 -0.69 0.05 0.00 0.10 0.00 0.00 34.13 33.67 3kf3 s GLU 107 CO 0.31 -0.43 0.54 0.20 0.02 0.00 0.00 175.26 175.90 3kf3 s GLY 108 N -3.60 -0.41 -0.72 -1.39 0.00 -0.78 -2.65 107.32 97.77 3kf3 s GLY 108 Ca 0.25 1.20 -0.21 0.00 0.00 0.00 0.00 44.72 45.95 3kf3 s GLY 108 CO 0.14 0.93 0.97 -0.42 0.00 0.00 0.00 173.10 174.72 3kf3 s ILE 109 N -0.60 4.51 0.30 0.90 -1.09 -0.27 -0.89 121.20 124.06 3kf3 s ILE 109 Ca -0.07 -0.79 -0.05 0.00 -2.23 0.00 0.00 60.65 57.50 3kf3 s ILE 109 Cb -0.03 -4.68 0.07 0.00 -1.58 0.00 0.00 42.46 36.24 3kf3 s ILE 109 CO 0.05 -1.42 0.34 0.49 -1.23 0.00 0.00 174.94 173.17 3kf3 n PHE 110 N 7.18 -3.67 -1.01 3.97 3.01 0.86 -4.46 117.46 123.34 3kf3 n PHE 110 Ca 0.03 -0.30 -0.31 0.00 1.01 0.00 0.00 57.45 57.88 3kf3 n PHE 110 Cb 0.46 -0.30 0.14 0.00 -0.01 0.00 0.00 39.48 39.77 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 -2.34 3.53 0.00 4.37 0.01 -1.26 -3.97 113.70 114.03 3kf3 s SER 111 Ca 0.20 1.86 0.00 0.00 1.31 0.00 0.00 55.95 59.33 3kf3 s SER 111 Cb -0.01 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.76 3kf3 s SER 111 CO 0.15 -2.66 0.00 0.61 0.41 0.00 0.00 173.24 171.75 3kf3 n GLY 112 N -0.58 -1.29 3.33 3.44 0.00 -1.26 -2.15 105.19 106.69 3kf3 n GLY 112 Ca 0.09 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.80 1.62 0.01 1.61 1.04 0.19 -1.45 113.70 112.92 3kf3 s SER 113 Ca 0.00 -1.63 0.04 0.00 0.48 0.00 0.00 55.95 54.84 3kf3 s SER 113 Cb 0.00 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 3kf3 s SER 113 CO 0.00 -0.95 -0.13 -0.63 0.98 0.00 0.00 173.24 172.51 3kf3 s ILE 114 N -3.55 1.02 0.18 -1.02 1.01 -1.26 -0.49 121.20 117.09 3kf3 s ILE 114 Ca 0.36 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 60.35 3kf3 s ILE 114 Cb 0.04 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.57 3kf3 s ILE 114 CO 0.20 0.15 -0.14 0.68 0.00 0.00 0.00 174.94 175.84 3kf3 s VAL 115 N -0.54 1.61 -0.31 2.92 -7.23 -0.66 -4.72 120.40 111.46 3kf3 s VAL 115 Ca 0.03 -2.12 -0.08 0.00 -1.81 0.00 0.00 61.98 58.00 3kf3 s VAL 115 Cb -0.06 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 34.94 3kf3 s VAL 115 CO 0.00 -0.59 0.11 -0.69 -0.31 0.00 0.00 175.10 173.63 3kf3 s VAL 116 N -2.89 4.11 -1.23 1.32 1.01 -1.26 -1.21 120.40 120.25 3kf3 s VAL 116 Ca 0.20 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 3kf3 s VAL 116 Cb -0.01 -3.17 0.18 0.00 0.00 0.00 0.00 36.38 33.37 3kf3 s VAL 116 CO 0.05 -0.00 1.56 -0.67 0.00 0.00 0.00 175.10 176.04 3kf3 n ASP 117 N 4.89 5.22 -0.25 3.32 2.03 0.16 -4.87 116.55 127.06 3kf3 n ASP 117 Ca -0.14 -3.03 0.03 0.00 0.52 0.00 0.00 54.79 52.18 3kf3 n ASP 117 Cb 0.47 -1.53 0.16 0.00 -0.72 0.00 0.00 41.12 39.50 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 6.67 0.55 -0.50 -0.67 3.86 -1.84 -2.35 115.15 120.87 3kf3 h HIS 118 Ca 0.33 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 3kf3 h HIS 118 Cb 0.79 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.13 3kf3 h HIS 118 CO 1.13 0.14 0.00 0.09 0.86 0.00 0.00 177.93 180.15 3kf3 n ASN 119 N -4.94 4.00 -3.92 2.45 4.13 -1.26 -4.74 115.26 110.97 3kf3 n ASN 119 Ca 0.12 -2.42 -0.30 0.00 1.68 0.00 0.00 54.58 53.66 3kf3 n ASN 119 Cb 0.34 -0.54 0.02 0.00 -1.54 0.00 0.00 39.78 38.07 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 0.77 -4.50 0.15 6.41 5.15 -0.88 -4.84 115.26 117.52 3kf3 n ASN 120 Ca 0.20 -0.80 0.15 0.00 -0.60 0.00 0.00 54.58 53.54 3kf3 n ASN 120 Cb 0.78 -3.82 0.72 0.00 -0.53 0.00 0.00 39.78 36.93 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 -2.05 0.74 0.00 -0.44 1.35 -1.89 -1.67 112.91 108.95 3kf3 h THR 121 Ca -0.58 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.19 3kf3 h THR 121 Cb 1.38 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 3kf3 h THR 121 CO 0.67 0.00 -0.43 0.77 -0.25 0.00 0.00 175.52 176.28 3kf3 h SER 122 N 0.00 0.00 -0.05 5.36 4.64 -1.86 -3.43 113.55 118.22 3kf3 h SER 122 Ca 0.12 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 3kf3 h SER 122 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3kf3 h SER 122 CO -0.00 0.43 -0.02 0.61 -0.87 0.00 0.00 176.83 176.98 3kf3 n GLY 123 N 1.09 0.49 0.13 -0.77 0.00 -0.63 -4.92 105.19 100.58 3kf3 n GLY 123 Ca 0.02 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.71 1.61 0.04 -1.93 -3.48 116.94 109.47 3kf3 h PHE 124 Ca -0.02 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.07 3kf3 h PHE 124 Cb 0.15 0.00 -0.27 0.00 2.20 0.00 0.00 35.95 38.03 3kf3 h PHE 124 CO 0.08 0.00 -0.80 -0.06 -0.60 0.00 0.00 178.31 176.93 3kf3 s PHE 125 N -3.24 2.67 0.88 -0.55 0.40 -1.26 -5.10 117.98 111.78 3kf3 s PHE 125 Ca 0.04 -0.54 -0.14 0.00 -0.60 0.00 0.00 56.93 55.70 3kf3 s PHE 125 Cb 0.09 -1.71 0.13 0.00 0.51 0.00 0.00 43.02 42.05 3kf3 s PHE 125 CO 0.72 -0.10 1.24 -0.80 0.70 0.00 0.00 175.22 176.98 3kf3 s ASN 126 N -0.11 3.87 0.36 1.36 0.01 -1.26 -4.94 114.94 114.23 3kf3 s ASN 126 Ca -0.03 0.55 0.26 0.00 -0.71 0.00 0.00 52.86 52.93 3kf3 s ASN 126 Cb -0.14 -0.84 1.29 0.00 0.41 0.00 0.00 41.25 41.97 3kf3 s ASN 126 CO 0.04 -2.28 1.78 -1.28 -1.51 0.00 0.00 177.10 173.85 3kf3 h SER 127 N -1.33 0.00 1.05 -1.22 0.87 -2.02 -2.41 113.55 108.50 3kf3 h SER 127 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3kf3 h SER 127 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 3kf3 h SER 127 CO 0.53 0.00 0.00 -1.28 -0.53 0.00 0.00 176.83 175.55 3kf3 h SER 128 N 0.00 0.00 -3.62 6.23 0.87 -2.03 -3.43 113.55 111.57 3kf3 h SER 128 Ca 0.00 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.91 3kf3 h SER 128 Cb 0.14 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 61.87 3kf3 h SER 128 CO 0.00 0.00 -0.63 -0.63 -0.53 0.00 0.00 176.83 175.04 3kf3 s ILE 129 N -3.36 4.25 0.19 2.23 -1.09 -0.91 -5.07 121.20 117.44 3kf3 s ILE 129 Ca 0.05 -0.19 -0.33 0.00 -2.23 0.00 0.00 60.65 57.95 3kf3 s ILE 129 Cb 0.09 -2.98 -0.14 0.00 -1.58 0.00 0.00 42.46 37.85 3kf3 s ILE 129 CO 0.49 0.35 1.41 -0.67 -1.23 0.00 0.00 174.94 175.29 3kf3 n ASP 130 N 4.89 2.49 -0.29 3.58 2.03 -1.26 -4.82 116.55 123.16 3kf3 n ASP 130 Ca -0.16 1.12 0.04 0.00 0.52 0.00 0.00 54.79 56.31 3kf3 n ASP 130 Cb 0.51 -1.36 0.12 0.00 -0.72 0.00 0.00 41.12 39.67 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 4.61 0.01 -0.59 -0.67 0.11 -1.94 0.10 132.00 133.63 3kf3 h PRO 131 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kf3 h PRO 131 Cb 1.29 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kf3 h PRO 131 CO 0.79 0.01 0.00 0.27 -0.21 0.00 0.00 178.00 178.85 3kf3 n ASN 132 N -5.52 1.73 -0.12 -2.05 2.04 -1.26 -3.14 115.26 106.93 3kf3 n ASN 132 Ca 0.13 -2.14 0.07 0.00 -0.44 0.00 0.00 54.58 52.19 3kf3 n ASN 132 Cb 0.44 -0.37 0.10 0.00 -2.53 0.00 0.00 39.78 37.43 3kf3 n ASN 132 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3kf3 n GLN 133 N 0.13 2.00 -2.20 -3.83 6.02 0.34 -4.37 117.38 115.47 3kf3 n GLN 133 Ca 0.07 -2.23 -0.43 0.00 -0.01 0.00 0.00 57.00 54.41 3kf3 n GLN 133 Cb 0.35 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.26 3kf3 n GLN 133 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3kf3 n ARG 134 N -1.00 3.18 -3.01 -1.09 1.74 -1.14 -4.64 116.66 110.69 3kf3 n ARG 134 Ca 0.11 -3.12 -0.41 0.00 -0.77 0.00 0.00 57.85 53.67 3kf3 n ARG 134 Cb 0.52 -3.21 -0.05 0.00 -1.02 0.00 0.00 32.46 28.70 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 2.51 4.94 -0.15 0.55 1.01 -1.26 -0.66 121.20 128.14 3kf3 s ILE 135 Ca 0.46 1.38 0.01 0.00 0.00 0.00 0.00 60.65 62.50 3kf3 s ILE 135 Cb 0.09 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.55 3kf3 s ILE 135 CO -0.02 0.05 -0.17 -0.69 0.00 0.00 0.00 174.94 174.11 3kf3 s VAL 136 N 2.18 1.78 0.00 2.92 1.01 -0.35 -1.12 120.40 126.82 3kf3 s VAL 136 Ca 0.32 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 3kf3 s VAL 136 Cb -0.16 -1.63 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 3kf3 s VAL 136 CO 0.10 0.49 0.53 0.00 0.00 0.00 0.00 175.10 176.23 3kf3 s ALA 137 N 1.27 3.56 -0.16 5.51 0.00 0.12 -1.65 121.76 130.41 3kf3 s ALA 137 Ca 0.02 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.93 3kf3 s ALA 137 Cb -0.13 -2.62 0.02 0.00 0.00 0.00 0.00 23.12 20.39 3kf3 s ALA 137 CO -0.09 0.28 -0.17 0.42 0.00 0.00 0.00 175.76 176.20 3kf3 s ILE 138 N -0.52 1.78 0.10 0.00 1.09 0.35 -1.37 121.20 122.63 3kf3 s ILE 138 Ca 0.28 -0.77 -0.04 0.00 -1.10 0.00 0.00 60.65 59.03 3kf3 s ILE 138 Cb -0.18 -1.64 -0.03 0.00 -1.06 0.00 0.00 42.46 39.55 3kf3 s ILE 138 CO 0.16 0.49 0.09 -0.72 -0.10 0.00 0.00 174.94 174.86 3kf3 s TYR 139 N 1.40 0.52 -0.16 3.97 -0.85 -0.31 -0.63 117.35 121.29 3kf3 s TYR 139 Ca 0.05 -0.97 -0.23 0.00 -0.52 0.00 0.00 57.07 55.40 3kf3 s TYR 139 Cb -0.13 -0.30 -0.02 0.00 0.38 0.00 0.00 41.96 41.89 3kf3 s TYR 139 CO -0.12 -0.51 0.72 0.99 -1.52 0.00 0.00 175.55 175.11 3kf3 s THR 140 N -3.95 4.97 -0.32 -3.49 2.01 -0.91 -0.52 115.64 113.43 3kf3 s THR 140 Ca 0.13 1.40 -0.18 0.00 0.31 0.00 0.00 61.69 63.36 3kf3 s THR 140 Cb 0.06 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 3kf3 s THR 140 CO -0.05 0.11 0.49 0.21 -0.69 0.00 0.00 174.62 174.69 3kf3 s ASN 141 N 1.10 6.33 -0.24 3.53 2.47 0.31 -0.10 114.94 128.34 3kf3 s ASN 141 Ca 0.34 0.13 -0.13 0.00 0.42 0.00 0.00 52.86 53.62 3kf3 s ASN 141 Cb -0.16 -2.26 -0.04 0.00 -1.45 0.00 0.00 41.25 37.33 3kf3 s ASN 141 CO 0.13 -0.39 0.28 0.21 -3.72 0.00 0.00 177.10 173.61 3kf3 s ASN 142 N 1.70 6.24 0.09 -4.21 2.47 -0.07 -2.42 114.94 118.75 3kf3 s ASN 142 Ca 0.19 0.27 0.05 0.00 0.42 0.00 0.00 52.86 53.79 3kf3 s ASN 142 Cb -0.16 -2.17 -0.03 0.00 -1.45 0.00 0.00 41.25 37.44 3kf3 s ASN 142 CO 0.12 -0.04 -0.13 -0.63 -3.72 0.00 0.00 177.10 172.70 3kf3 s ILE 143 N 1.39 1.12 -0.06 -5.21 1.01 -0.39 -1.86 121.20 117.21 3kf3 s ILE 143 Ca 0.13 -1.52 -0.37 0.00 0.00 0.00 0.00 60.65 58.88 3kf3 s ILE 143 Cb -0.15 -1.28 -0.15 0.00 0.01 0.00 0.00 42.46 40.89 3kf3 s ILE 143 CO 0.07 -0.38 1.59 -2.65 0.00 0.00 0.00 174.94 173.57 3kf3 n PRO 144 N 0.85 1.42 -1.02 2.79 -0.02 -1.26 -1.22 135.00 136.54 3kf3 n PRO 144 Ca -0.18 0.52 -0.01 0.00 -2.02 0.00 0.00 63.50 61.81 3kf3 n PRO 144 Cb 0.56 -2.22 -0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 4.21 -4.60 -3.71 2.55 10.43 -1.26 -4.98 116.55 119.19 3kf3 n ASP 145 Ca 0.22 0.02 -0.11 0.00 2.57 0.00 0.00 54.79 57.48 3kf3 n ASP 145 Cb 0.20 -2.17 -0.11 0.00 1.84 0.00 0.00 41.12 40.88 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 -2.06 -0.46 -0.14 -2.24 2.47 -0.36 -4.33 114.94 107.83 3kf3 s ASN 146 Ca 0.00 0.82 0.00 0.00 0.42 0.00 0.00 52.86 54.10 3kf3 s ASN 146 Cb 0.00 0.73 0.02 0.00 -1.45 0.00 0.00 41.25 40.56 3kf3 s ASN 146 CO 0.00 -0.17 -0.11 -1.10 -3.72 0.00 0.00 177.10 171.99 3kf3 s GLN 147 N 1.06 1.97 0.24 0.43 -0.21 0.29 -1.26 119.66 122.17 3kf3 s GLN 147 Ca -0.07 -0.44 0.07 0.00 0.02 0.00 0.00 55.36 54.94 3kf3 s GLN 147 Cb -0.07 -1.91 -0.05 0.00 1.00 0.00 0.00 33.01 31.98 3kf3 s GLN 147 CO -0.09 -0.26 -0.10 0.95 -2.12 0.00 0.00 175.29 173.67 3kf3 s THR 148 N 1.58 1.68 -0.27 -0.19 -4.23 -1.02 -4.62 115.64 108.58 3kf3 s THR 148 Ca 0.05 -2.17 -0.12 0.00 -1.18 0.00 0.00 61.69 58.26 3kf3 s THR 148 Cb -0.13 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.44 3kf3 s THR 148 CO -0.10 -0.46 0.26 -1.10 -0.54 0.00 0.00 174.62 172.68 3kf3 s GLN 149 N -3.69 4.00 0.28 3.99 -1.52 -0.73 -0.53 119.66 121.46 3kf3 s GLN 149 Ca 0.26 -0.16 0.11 0.00 -1.95 0.00 0.00 55.36 53.62 3kf3 s GLN 149 Cb 0.01 -3.63 -0.05 0.00 -0.22 0.00 0.00 33.01 29.12 3kf3 s GLN 149 CO 0.09 -0.17 -0.19 -0.51 -0.25 0.00 0.00 175.29 174.27 3kf3 s ASP 150 N 1.57 3.47 0.20 5.90 1.11 0.32 -0.68 116.67 128.56 3kf3 s ASP 150 Ca 0.10 -1.04 0.08 0.00 0.18 0.00 0.00 52.55 51.87 3kf3 s ASP 150 Cb -0.15 -0.28 -0.05 0.00 1.07 0.00 0.00 42.92 43.51 3kf3 s ASP 150 CO 0.09 -0.00 -0.15 0.27 1.18 0.00 0.00 175.17 176.56 3kf3 s ILE 151 N -2.58 1.79 -0.05 0.77 -4.36 -1.26 -1.16 121.20 114.35 3kf3 s ILE 151 Ca 0.29 -2.19 -0.19 0.00 -0.26 0.00 0.00 60.65 58.30 3kf3 s ILE 151 Cb -0.04 -2.03 0.04 0.00 1.25 0.00 0.00 42.46 41.68 3kf3 s ILE 151 CO 0.14 -0.55 0.44 0.00 0.24 0.00 0.00 174.94 175.21 3kf3 s ALA 152 N -2.83 -1.12 0.14 2.27 0.00 -0.47 -1.89 121.76 117.85 3kf3 s ALA 152 Ca 0.22 0.77 0.10 0.00 0.00 0.00 0.00 51.96 53.05 3kf3 s ALA 152 Cb -0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 3kf3 s ALA 152 CO 0.07 -0.28 -0.23 -0.59 0.00 0.00 0.00 175.76 174.73 3kf3 s PHE 153 N -1.02 2.40 -0.09 0.00 -0.12 -0.31 0.14 117.98 118.98 3kf3 s PHE 153 Ca -0.11 -0.33 0.04 0.00 -0.05 0.00 0.00 56.93 56.48 3kf3 s PHE 153 Cb -0.03 -1.26 -0.01 0.00 -0.63 0.00 0.00 43.02 41.08 3kf3 s PHE 153 CO 0.05 0.39 -0.20 0.45 -0.05 0.00 0.00 175.22 175.86 3kf3 s SER 154 N -2.24 3.44 0.00 1.98 0.15 -0.27 -0.86 113.70 115.90 3kf3 s SER 154 Ca 0.17 -0.44 0.13 0.00 0.70 0.00 0.00 55.95 56.51 3kf3 s SER 154 Cb -0.10 -1.22 0.29 0.00 -1.71 0.00 0.00 66.02 63.29 3kf3 s SER 154 CO 0.09 0.21 1.20 0.18 1.20 0.00 0.00 173.24 176.11 3kf3 n LEU 155 N 3.20 2.83 -0.76 3.45 4.77 -1.26 -4.00 117.00 125.23 3kf3 n LEU 155 Ca -0.18 -1.71 0.06 0.00 -0.03 0.00 0.00 56.01 54.14 3kf3 n LEU 155 Cb 0.52 -0.20 0.13 0.00 -2.33 0.00 0.00 43.42 41.55 3kf3 n LEU 155 CO 0.28 0.67 0.30 -0.90 -1.33 0.00 0.00 177.39 176.40 3kf3 n ASP 156 N 0.73 1.47 0.00 -1.43 5.68 -1.26 -4.97 116.55 116.77 3kf3 n ASP 156 Ca 0.12 -3.11 0.00 0.00 -0.50 0.00 0.00 54.79 51.30 3kf3 n ASP 156 Cb 0.43 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3kf3 n ASP 156 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kf3 n GLY 157 N -0.63 0.58 0.10 6.12 0.00 -1.26 -4.16 105.19 105.94 3kf3 n GLY 157 Ca 0.13 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.72 0.97 0.11 -0.02 0.00 -1.26 -5.01 105.19 97.25 3kf3 n GLY 158 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.05 0.41 -4.23 1.61 4.02 -1.26 -4.95 117.16 110.70 3kf3 n TYR 159 Ca 0.00 0.12 -0.18 0.00 -0.01 0.00 0.00 57.90 57.83 3kf3 n TYR 159 Cb 0.00 -1.07 -0.13 0.00 -0.02 0.00 0.00 39.34 38.13 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 -2.53 1.02 0.03 -0.72 -4.23 -1.26 -4.53 115.64 103.41 3kf3 s THR 160 Ca -0.15 -1.11 0.05 0.00 -1.18 0.00 0.00 61.69 59.30 3kf3 s THR 160 Cb 0.07 -0.96 -0.02 0.00 1.34 0.00 0.00 72.50 72.93 3kf3 s THR 160 CO 0.78 -0.13 -0.16 -0.36 -0.54 0.00 0.00 174.62 174.20 3kf3 s PHE 161 N -1.07 1.43 -0.21 3.99 0.40 -1.25 -4.23 117.98 117.04 3kf3 s PHE 161 Ca -0.01 -0.33 -0.05 0.00 -0.60 0.00 0.00 56.93 55.93 3kf3 s PHE 161 Cb -0.09 -0.87 -0.02 0.00 0.51 0.00 0.00 43.02 42.56 3kf3 s PHE 161 CO 0.02 0.04 -0.00 0.99 0.70 0.00 0.00 175.22 176.96 3kf3 s THR 162 N -0.71 3.84 0.36 0.64 2.01 -0.04 -4.93 115.64 116.82 3kf3 s THR 162 Ca 0.04 -0.35 -0.26 0.00 0.31 0.00 0.00 61.69 61.44 3kf3 s THR 162 Cb -0.08 -2.74 -0.09 0.00 0.01 0.00 0.00 72.50 69.60 3kf3 s THR 162 CO 0.01 0.42 1.11 -0.54 -0.69 0.00 0.00 174.62 174.93 3kf3 s LYS 163 N 1.17 4.27 0.23 4.92 1.02 -1.26 -1.16 119.74 128.93 3kf3 s LYS 163 Ca 0.03 1.73 -0.30 0.00 0.02 0.00 0.00 55.97 57.44 3kf3 s LYS 163 Cb -0.14 -2.80 -0.10 0.00 -0.52 0.00 0.00 37.83 34.27 3kf3 s LYS 163 CO 0.01 -0.10 1.49 -0.47 -0.92 0.00 0.00 175.35 175.36 3kf3 s TYR 164 N -1.41 3.00 0.42 3.18 5.04 -0.79 -4.92 117.35 121.87 3kf3 s TYR 164 Ca 0.53 0.91 0.10 0.00 -2.44 0.00 0.00 57.07 56.17 3kf3 s TYR 164 Cb -0.28 -3.87 0.94 0.00 0.35 0.00 0.00 41.96 39.09 3kf3 s TYR 164 CO 0.36 -2.95 2.02 0.93 -1.34 0.00 0.00 175.55 174.57 3kf3 h GLU 165 N 5.43 0.48 -0.71 4.97 5.08 -1.94 -2.81 114.58 125.08 3kf3 h GLU 165 Ca -0.45 -0.03 -0.37 0.00 -1.00 0.00 0.00 59.36 57.51 3kf3 h GLU 165 Cb 1.21 -0.11 -0.22 0.00 0.50 0.00 0.00 28.75 30.14 3kf3 h GLU 165 CO 0.81 0.32 0.32 0.09 -1.00 0.00 0.00 179.01 179.55 3kf3 n ASN 166 N -4.47 3.19 -4.77 1.42 3.02 -1.26 -4.98 115.26 107.40 3kf3 n ASN 166 Ca 0.07 -3.70 -0.39 0.00 -0.03 0.00 0.00 54.58 50.52 3kf3 n ASN 166 Cb 0.22 -0.75 0.01 0.00 -0.61 0.00 0.00 39.78 38.65 3kf3 n ASN 166 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3kf3 s ASN 167 N -1.88 6.00 0.42 6.41 0.01 -1.06 -4.33 114.94 120.51 3kf3 s ASN 167 Ca 0.51 2.78 -0.18 0.00 -0.71 0.00 0.00 52.86 55.27 3kf3 s ASN 167 Cb 0.45 -2.64 -0.10 0.00 0.41 0.00 0.00 41.25 39.37 3kf3 s ASN 167 CO 0.06 -1.08 0.89 -2.16 -1.51 0.00 0.00 177.10 173.30 3kf3 s PRO 168 N -2.42 4.09 0.28 -0.60 0.04 -1.26 -5.11 135.00 130.02 3kf3 s PRO 168 Ca 0.60 0.93 0.20 0.00 0.04 0.00 0.00 61.00 62.78 3kf3 s PRO 168 Cb -0.41 -2.25 0.11 0.00 0.04 0.00 0.00 34.50 32.00 3kf3 s PRO 168 CO 0.52 -0.03 1.29 -0.39 0.04 0.00 0.00 177.00 178.43 3kf3 h VAL 169 N 1.67 0.27 -3.29 -0.36 -1.51 -1.09 -3.45 116.25 108.50 3kf3 h VAL 169 Ca -0.48 -1.43 -0.30 0.00 -1.23 0.00 0.00 66.70 63.26 3kf3 h VAL 169 Cb 1.18 1.96 -0.35 0.00 -2.13 0.00 0.00 31.29 31.95 3kf3 h VAL 169 CO 0.62 0.16 -0.67 -0.63 -1.23 0.00 0.00 177.57 175.82 3kf3 s ILE 170 N -3.15 -0.12 -0.09 7.19 1.01 -0.97 -4.55 121.20 120.51 3kf3 s ILE 170 Ca 0.03 0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.94 3kf3 s ILE 170 Cb 0.07 -0.20 0.04 0.00 0.01 0.00 0.00 42.46 42.39 3kf3 s ILE 170 CO 0.74 0.12 0.07 -0.62 0.00 0.00 0.00 174.94 175.26 3kf3 s ASP 171 N 1.69 1.64 -0.20 3.58 3.68 -1.26 -1.77 116.67 124.03 3kf3 s ASP 171 Ca -0.02 -0.21 0.15 0.00 2.13 0.00 0.00 52.55 54.60 3kf3 s ASP 171 Cb -0.12 -0.18 0.47 0.00 -1.45 0.00 0.00 42.92 41.64 3kf3 s ASP 171 CO -0.04 -0.29 1.37 1.33 0.13 0.00 0.00 175.17 177.66 3kf3 n VAL 172 N 5.29 2.26 -3.56 1.11 0.24 -1.26 -4.98 118.33 117.43 3kf3 n VAL 172 Ca -0.05 -2.21 -0.20 0.00 -2.04 0.00 0.00 64.34 59.84 3kf3 n VAL 172 Cb 0.50 -0.27 0.07 0.00 -1.47 0.00 0.00 33.84 32.67 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 -0.87 -2.83 -4.23 -1.34 7.64 -1.26 -5.01 113.62 105.72 3kf3 n SER 173 Ca 0.23 -0.67 -0.20 0.00 1.01 0.00 0.00 58.87 59.24 3kf3 n SER 173 Cb 0.87 -4.76 -0.12 0.00 -1.01 0.00 0.00 64.21 59.19 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 -4.09 2.07 0.00 6.43 0.15 -1.26 -5.02 113.70 111.98 3kf3 s SER 174 Ca 0.16 -0.69 0.21 0.00 0.70 0.00 0.00 55.95 56.33 3kf3 s SER 174 Cb -0.07 -0.09 0.26 0.00 -1.71 0.00 0.00 66.02 64.40 3kf3 s SER 174 CO 0.76 -0.04 1.23 -3.20 1.20 0.00 0.00 173.24 173.19 3kf3 n ASN 175 N 1.03 2.97 -3.31 5.45 5.15 -1.26 -0.55 115.26 124.75 3kf3 n ASN 175 Ca -0.19 -1.90 -0.25 0.00 -0.60 0.00 0.00 54.58 51.63 3kf3 n ASN 175 Cb 0.55 -0.10 -0.08 0.00 -0.53 0.00 0.00 39.78 39.62 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 1.23 0.82 -3.18 1.20 1.13 -1.26 -4.64 117.38 112.68 3kf3 n GLN 176 Ca 0.14 -3.43 0.02 0.00 -1.94 0.00 0.00 57.00 51.80 3kf3 n GLN 176 Cb 0.54 -1.51 -0.01 0.00 0.11 0.00 0.00 30.24 29.38 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 -1.00 -1.77 0.20 1.08 5.36 -1.26 -2.37 117.98 118.22 3kf3 s PHE 177 Ca 0.34 0.64 -0.18 0.00 -0.96 0.00 0.00 56.93 56.77 3kf3 s PHE 177 Cb 0.12 0.31 0.03 0.00 -0.34 0.00 0.00 43.02 43.14 3kf3 s PHE 177 CO -0.13 -1.12 0.54 -0.98 -1.46 0.00 0.00 175.22 172.08 3kf3 s ARG 178 N 2.31 1.41 -0.10 10.12 1.70 -0.66 -4.34 118.95 129.38 3kf3 s ARG 178 Ca 0.13 -0.86 -0.00 0.00 -0.47 0.00 0.00 55.73 54.53 3kf3 s ARG 178 Cb -0.07 0.53 -0.00 0.00 -0.57 0.00 0.00 34.95 34.84 3kf3 s ARG 178 CO -0.16 -0.60 0.09 -0.25 -1.08 0.00 0.00 175.30 173.30 3kf3 n ASP 179 N -0.35 -2.56 -4.70 -2.89 8.00 -1.26 -1.99 116.55 110.80 3kf3 n ASP 179 Ca -0.10 -0.05 -0.42 0.00 0.71 0.00 0.00 54.79 54.93 3kf3 n ASP 179 Cb 0.62 -1.18 -0.03 0.00 -0.02 0.00 0.00 41.12 40.51 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 -3.10 4.44 -0.26 -0.24 0.04 -1.26 -4.21 135.00 130.42 3kf3 s PRO 180 Ca 0.03 1.56 -0.04 0.00 0.04 0.00 0.00 61.00 62.59 3kf3 s PRO 180 Cb -0.00 -3.49 0.01 0.00 0.04 0.00 0.00 34.50 31.06 3kf3 s PRO 180 CO 0.08 -0.27 -0.00 0.21 0.04 0.00 0.00 177.00 177.05 3kf3 s LYS 181 N 1.62 3.07 0.05 4.56 2.47 -0.23 -2.74 119.74 128.54 3kf3 s LYS 181 Ca 0.54 -0.84 0.07 0.00 -1.56 0.00 0.00 55.97 54.18 3kf3 s LYS 181 Cb -0.23 -3.13 -0.03 0.00 -1.46 0.00 0.00 37.83 32.97 3kf3 s LYS 181 CO 0.24 -0.36 -0.18 0.54 0.16 0.00 0.00 175.35 175.75 3kf3 s VAL 182 N 1.43 2.81 0.03 4.02 0.11 -1.26 -1.06 120.40 126.48 3kf3 s VAL 182 Ca 0.02 -1.23 -0.14 0.00 -2.93 0.00 0.00 61.98 57.71 3kf3 s VAL 182 Cb -0.16 -2.20 0.02 0.00 -1.53 0.00 0.00 36.38 32.51 3kf3 s VAL 182 CO -0.02 0.30 0.30 0.72 -3.33 0.00 0.00 175.10 173.08 3kf3 s PHE 183 N -0.96 -0.12 -0.20 1.54 -0.12 -0.33 -4.73 117.98 113.05 3kf3 s PHE 183 Ca 0.15 0.03 -0.28 0.00 -0.05 0.00 0.00 56.93 56.79 3kf3 s PHE 183 Cb -0.11 0.09 0.00 0.00 -0.63 0.00 0.00 43.02 42.38 3kf3 s PHE 183 CO 0.06 -0.47 0.97 -0.46 -0.05 0.00 0.00 175.22 175.27 3kf3 s TRP 184 N -2.25 3.37 -0.44 3.49 -0.11 -1.26 -0.62 118.94 121.12 3kf3 s TRP 184 Ca -0.07 1.41 -0.17 0.00 1.22 0.00 0.00 56.10 58.49 3kf3 s TRP 184 Cb -0.02 -3.19 0.04 0.00 -1.50 0.00 0.00 33.47 28.80 3kf3 s TRP 184 CO -0.01 -0.39 0.42 -1.58 -4.62 0.00 0.00 176.95 170.77 3kf3 s HIS 185 N 2.80 3.18 0.10 5.86 5.65 0.03 -4.96 115.29 127.96 3kf3 s HIS 185 Ca 0.42 -0.55 -0.23 0.00 0.25 0.00 0.00 55.06 54.95 3kf3 s HIS 185 Cb -0.16 -2.97 -0.10 0.00 -1.18 0.00 0.00 32.58 28.17 3kf3 s HIS 185 CO 0.09 -0.74 1.71 0.93 -0.65 0.00 0.00 174.74 176.08 3kf3 h GLU 186 N 8.75 -0.13 -0.91 2.88 4.39 -1.95 -2.41 114.58 125.20 3kf3 h GLU 186 Ca -0.27 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.55 3kf3 h GLU 186 Cb 1.11 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.71 3kf3 h GLU 186 CO 0.82 -0.08 0.55 -0.44 -1.16 0.00 0.00 179.01 178.69 3kf3 h ASP 187 N -0.13 0.79 -0.60 1.42 3.32 -1.95 -1.66 116.42 117.61 3kf3 h ASP 187 Ca 0.03 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3kf3 h ASP 187 Cb 0.17 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3kf3 h ASP 187 CO -0.08 0.43 0.00 -1.54 -1.72 0.00 0.00 179.24 176.34 3kf3 n SER 188 N -4.69 4.13 -4.03 6.45 3.41 -1.22 -4.99 113.62 112.68 3kf3 n SER 188 Ca 0.16 -2.26 -0.44 0.00 -0.26 0.00 0.00 58.87 56.07 3kf3 n SER 188 Cb 0.32 -0.49 0.02 0.00 -0.26 0.00 0.00 64.21 63.80 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 1.09 -4.30 -3.71 4.04 2.85 -0.62 -4.96 115.26 109.65 3kf3 n ASN 189 Ca 0.23 -1.26 -0.07 0.00 -0.11 0.00 0.00 54.58 53.37 3kf3 n ASN 189 Cb 0.72 -1.79 -0.02 0.00 1.24 0.00 0.00 39.78 39.93 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 -7.14 1.46 0.17 1.20 -2.07 -1.13 -4.91 119.66 107.23 3kf3 s GLN 190 Ca 0.46 -0.74 -0.27 0.00 -1.82 0.00 0.00 55.36 52.99 3kf3 s GLN 190 Cb -0.25 0.54 -0.08 0.00 -1.09 0.00 0.00 33.01 32.14 3kf3 s GLN 190 CO 0.96 -0.66 0.83 -1.58 -1.32 0.00 0.00 175.29 173.52 3kf3 s TRP 191 N -3.67 3.91 -0.06 9.60 0.52 0.18 -0.79 118.94 128.63 3kf3 s TRP 191 Ca 0.09 1.71 0.05 0.00 0.02 0.00 0.00 56.10 57.97 3kf3 s TRP 191 Cb -0.03 -2.85 -0.01 0.00 -1.15 0.00 0.00 33.47 29.42 3kf3 s TRP 191 CO 0.00 0.45 -0.22 0.42 0.02 0.00 0.00 176.95 177.62 3kf3 s ILE 192 N -0.95 2.35 -0.15 2.03 -1.09 0.21 -1.17 121.20 122.43 3kf3 s ILE 192 Ca 0.38 -0.96 0.02 0.00 -2.23 0.00 0.00 60.65 57.86 3kf3 s ILE 192 Cb -0.24 -1.88 0.01 0.00 -1.58 0.00 0.00 42.46 38.78 3kf3 s ILE 192 CO 0.28 0.57 -0.21 -0.32 -1.23 0.00 0.00 174.94 174.03 3kf3 s MET 193 N -0.25 3.02 -0.21 2.79 -2.45 -0.82 -1.19 119.30 120.20 3kf3 s MET 193 Ca -0.01 -0.84 -0.13 0.00 -1.25 0.00 0.00 55.69 53.46 3kf3 s MET 193 Cb -0.13 -2.49 -0.04 0.00 1.25 0.00 0.00 34.83 33.42 3kf3 s MET 193 CO 0.03 -0.08 0.29 0.14 1.05 0.00 0.00 175.02 176.45 3kf3 s VAL 194 N 0.97 5.28 0.01 10.11 -7.23 -0.22 -1.17 120.40 128.14 3kf3 s VAL 194 Ca -0.03 0.47 -0.01 0.00 -1.81 0.00 0.00 61.98 60.60 3kf3 s VAL 194 Cb -0.15 -3.62 -0.01 0.00 0.56 0.00 0.00 36.38 33.16 3kf3 s VAL 194 CO -0.05 0.31 0.01 0.54 -0.31 0.00 0.00 175.10 175.60 3kf3 s VAL 195 N 1.07 0.09 -0.09 1.32 0.11 -0.56 -1.06 120.40 121.28 3kf3 s VAL 195 Ca 0.14 -0.72 -0.16 0.00 -2.93 0.00 0.00 61.98 58.31 3kf3 s VAL 195 Cb -0.14 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.41 3kf3 s VAL 195 CO 0.06 -0.40 0.42 -0.94 -3.33 0.00 0.00 175.10 170.91 3kf3 s SER 196 N -1.20 6.67 -0.91 3.54 1.04 -0.84 0.17 113.70 122.16 3kf3 s SER 196 Ca -0.13 0.80 -0.14 0.00 0.48 0.00 0.00 55.95 56.96 3kf3 s SER 196 Cb -0.08 -2.25 0.22 0.00 0.10 0.00 0.00 66.02 64.00 3kf3 s SER 196 CO -0.00 0.12 0.92 -0.75 0.98 0.00 0.00 173.24 174.50 3kf3 s LYS 197 N 0.08 3.74 0.14 4.02 2.47 0.29 -1.65 119.74 128.83 3kf3 s LYS 197 Ca 0.23 -2.51 -0.24 0.00 -1.56 0.00 0.00 55.97 51.89 3kf3 s LYS 197 Cb -0.15 -4.55 -0.00 0.00 -1.46 0.00 0.00 37.83 31.66 3kf3 s LYS 197 CO 0.10 -1.37 1.62 0.77 0.16 0.00 0.00 175.35 176.63 3kf3 h SER 198 N 7.69 -0.86 0.02 1.43 0.02 -1.65 -1.84 113.55 118.37 3kf3 h SER 198 Ca 0.14 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3kf3 h SER 198 Cb 1.00 0.38 0.00 0.00 0.14 0.00 0.00 62.40 63.92 3kf3 h SER 198 CO 0.87 -0.31 -0.04 0.00 -1.14 0.00 0.00 176.83 176.21 3kf3 n GLN 199 N -5.39 1.53 0.00 3.45 6.02 -1.26 -1.16 117.38 120.57 3kf3 n GLN 199 Ca -0.02 -0.87 0.12 0.00 -0.01 0.00 0.00 57.00 56.22 3kf3 n GLN 199 Cb 0.30 -1.48 0.19 0.00 1.02 0.00 0.00 30.24 30.28 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 0.02 1.33 -3.65 -1.09 1.02 -0.72 -4.98 120.64 112.58 3kf3 n GLU 200 Ca 0.18 -0.99 -0.21 0.00 -0.02 0.00 0.00 57.16 56.12 3kf3 n GLU 200 Cb 0.35 -1.48 0.05 0.00 -0.02 0.00 0.00 31.44 30.34 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 0.03 -2.11 -4.37 -0.32 4.02 -1.06 -5.00 117.16 108.34 3kf3 n TYR 201 Ca 0.12 0.89 -0.25 0.00 -0.01 0.00 0.00 57.90 58.65 3kf3 n TYR 201 Cb 0.44 -4.58 -0.17 0.00 -0.02 0.00 0.00 39.34 35.01 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 -5.92 1.65 -0.21 -0.72 -0.14 -1.18 -4.45 119.74 108.77 3kf3 s LYS 202 Ca 0.13 -0.37 -0.23 0.00 -1.36 0.00 0.00 55.97 54.14 3kf3 s LYS 202 Cb -0.06 -1.46 -0.02 0.00 -1.68 0.00 0.00 37.83 34.61 3kf3 s LYS 202 CO 0.79 -0.06 0.74 0.42 -0.76 0.00 0.00 175.35 176.47 3kf3 s ILE 203 N 0.98 4.93 -0.18 2.17 1.01 0.37 -0.54 121.20 129.94 3kf3 s ILE 203 Ca -0.09 1.41 -0.07 0.00 0.00 0.00 0.00 60.65 61.90 3kf3 s ILE 203 Cb -0.15 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3kf3 s ILE 203 CO -0.00 0.03 0.06 -1.10 0.00 0.00 0.00 174.94 173.93 3kf3 s GLN 204 N 2.27 3.97 -0.35 2.79 -0.21 0.13 -0.23 119.66 128.02 3kf3 s GLN 204 Ca 0.33 -0.35 -0.08 0.00 0.02 0.00 0.00 55.36 55.28 3kf3 s GLN 204 Cb -0.16 -3.22 0.03 0.00 1.00 0.00 0.00 33.01 30.67 3kf3 s GLN 204 CO 0.10 0.26 0.14 0.42 -2.12 0.00 0.00 175.29 174.08 3kf3 s ILE 205 N 0.41 4.06 0.26 1.08 1.01 -0.18 -1.50 121.20 126.34 3kf3 s ILE 205 Ca 0.03 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 59.73 3kf3 s ILE 205 Cb -0.12 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 3kf3 s ILE 205 CO 0.00 -0.17 0.33 -0.36 0.00 0.00 0.00 174.94 174.74 3kf3 s PHE 206 N 1.46 3.28 0.05 3.97 0.08 -0.32 -0.07 117.98 126.43 3kf3 s PHE 206 Ca -0.00 -0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.01 3kf3 s PHE 206 Cb -0.19 -1.60 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 3kf3 s PHE 206 CO 0.04 0.39 -0.13 0.20 -0.10 0.00 0.00 175.22 175.62 3kf3 s GLY 207 N -3.97 0.75 -0.19 4.36 0.00 0.11 -1.94 107.32 106.43 3kf3 s GLY 207 Ca 0.36 -0.85 -0.20 0.00 0.00 0.00 0.00 44.72 44.03 3kf3 s GLY 207 CO 0.28 -0.85 0.55 -0.45 0.00 0.00 0.00 173.10 172.64 3kf3 s SER 208 N -1.34 -0.57 0.00 1.64 0.15 -0.31 -0.59 113.70 112.68 3kf3 s SER 208 Ca -0.01 1.06 0.26 0.00 0.70 0.00 0.00 55.95 57.96 3kf3 s SER 208 Cb -0.09 1.08 0.72 0.00 -1.71 0.00 0.00 66.02 66.02 3kf3 s SER 208 CO 0.01 -0.22 1.54 0.00 1.20 0.00 0.00 173.24 175.78 3kf3 n ALA 209 N 2.63 3.14 0.00 5.45 0.00 -1.26 0.50 120.51 130.97 3kf3 n ALA 209 Ca -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3kf3 n ALA 209 Cb 0.56 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.75 4.88 0.00 0.00 4.05 -1.26 -4.75 115.26 117.43 3kf3 n ASN 210 Ca 0.11 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.14 3kf3 n ASN 210 Cb 0.35 0.47 0.00 0.00 1.23 0.00 0.00 39.78 41.82 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 -2.01 0.19 -0.08 1.20 4.77 -1.26 -4.02 117.00 115.78 3kf3 n LEU 211 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 3kf3 n LEU 211 Cb 0.49 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 3kf3 n LEU 211 CO 0.00 -0.09 -1.07 0.29 -1.33 0.00 0.00 177.39 175.18 3kf3 n LYS 212 N -2.00 0.36 -3.70 3.23 5.02 -1.26 -4.93 118.16 114.88 3kf3 n LYS 212 Ca 0.00 0.15 -0.38 0.00 -2.02 0.00 0.00 58.31 56.06 3kf3 n LYS 212 Cb 0.00 -1.13 -0.12 0.00 -0.02 0.00 0.00 35.03 33.76 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 -6.38 5.36 -0.05 4.39 0.01 -1.26 -4.75 114.94 112.25 3kf3 s ASN 213 Ca -0.23 -0.65 0.03 0.00 -0.71 0.00 0.00 52.86 51.30 3kf3 s ASN 213 Cb 0.09 -1.95 -0.03 0.00 0.41 0.00 0.00 41.25 39.77 3kf3 s ASN 213 CO 0.30 -0.21 -0.12 0.26 -1.51 0.00 0.00 177.10 175.82 3kf3 s TRP 214 N 1.55 2.76 -0.13 2.20 0.52 -1.26 -4.36 118.94 120.23 3kf3 s TRP 214 Ca 0.03 -0.11 0.02 0.00 0.02 0.00 0.00 56.10 56.06 3kf3 s TRP 214 Cb -0.17 -1.65 0.01 0.00 -1.15 0.00 0.00 33.47 30.51 3kf3 s TRP 214 CO 0.04 0.23 -0.20 0.08 0.02 0.00 0.00 176.95 177.13 3kf3 s VAL 215 N -0.76 1.87 -0.30 4.03 1.01 0.25 -4.92 120.40 121.58 3kf3 s VAL 215 Ca 0.12 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 3kf3 s VAL 215 Cb -0.11 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 3kf3 s VAL 215 CO 0.01 0.51 1.45 -0.22 0.00 0.00 0.00 175.10 176.85 3kf3 s LEU 216 N 0.90 3.80 -0.16 3.92 2.96 -1.26 0.04 118.68 128.88 3kf3 s LEU 216 Ca -0.06 1.26 -0.06 0.00 -0.22 0.00 0.00 54.13 55.05 3kf3 s LEU 216 Cb -0.15 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.77 3kf3 s LEU 216 CO -0.02 -1.25 0.19 0.59 -1.32 0.00 0.00 176.35 174.54 3kf3 n ASN 217 N 8.28 2.07 -3.71 3.68 3.02 0.90 -4.97 115.26 124.53 3kf3 n ASN 217 Ca 0.17 0.14 -0.09 0.00 -0.03 0.00 0.00 54.58 54.77 3kf3 n ASN 217 Cb 0.46 -0.76 -0.02 0.00 -0.61 0.00 0.00 39.78 38.86 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 -6.92 -0.36 0.00 6.41 1.04 -1.08 -4.91 113.70 107.88 3kf3 s SER 218 Ca -0.26 -0.40 0.07 0.00 0.48 0.00 0.00 55.95 55.84 3kf3 s SER 218 Cb 0.07 0.68 -0.02 0.00 0.10 0.00 0.00 66.02 66.86 3kf3 s SER 218 CO 0.71 -1.21 -0.23 0.20 0.98 0.00 0.00 173.24 173.69 3kf3 s ASN 219 N -2.86 2.70 -0.09 7.02 0.01 -1.26 -1.01 114.94 119.45 3kf3 s ASN 219 Ca 0.08 -0.45 0.03 0.00 -0.71 0.00 0.00 52.86 51.80 3kf3 s ASN 219 Cb -0.04 -0.28 0.01 0.00 0.41 0.00 0.00 41.25 41.35 3kf3 s ASN 219 CO 0.00 0.26 -0.16 0.12 -1.51 0.00 0.00 177.10 175.81 3kf3 s PHE 220 N -0.61 1.88 -0.06 2.20 5.36 0.68 -4.96 117.98 122.47 3kf3 s PHE 220 Ca 0.09 -0.77 -0.01 0.00 -0.96 0.00 0.00 56.93 55.27 3kf3 s PHE 220 Cb -0.09 -1.33 0.03 0.00 -0.34 0.00 0.00 43.02 41.29 3kf3 s PHE 220 CO -0.00 -0.37 0.02 -1.12 -1.46 0.00 0.00 175.22 172.29 3kf3 s SER 221 N 0.66 1.42 0.12 6.13 0.01 -1.26 -0.48 113.70 120.31 3kf3 s SER 221 Ca -0.14 -0.04 -0.25 0.00 1.31 0.00 0.00 55.95 56.83 3kf3 s SER 221 Cb -0.16 -0.36 0.08 0.00 0.21 0.00 0.00 66.02 65.79 3kf3 s SER 221 CO 0.04 -0.20 1.09 -0.55 0.41 0.00 0.00 173.24 174.03 3kf3 s SER 222 N 1.97 -0.04 0.20 2.44 0.15 -1.26 -5.11 113.70 112.05 3kf3 s SER 222 Ca 0.04 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.21 3kf3 s SER 222 Cb -0.12 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 3kf3 s SER 222 CO -0.04 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.22 3kf3 n GLY 223 N -0.65 0.02 3.60 9.45 0.00 -1.26 -4.64 105.19 111.70 3kf3 n GLY 223 Ca -0.03 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 3.18 -0.01 1.61 5.04 -1.26 -4.96 117.35 120.94 3kf3 s TYR 224 Ca 0.00 0.64 -0.21 0.00 -2.44 0.00 0.00 57.07 55.06 3kf3 s TYR 224 Cb 0.00 -3.20 -0.24 0.00 0.35 0.00 0.00 41.96 38.87 3kf3 s TYR 224 CO 0.00 -0.59 1.06 1.88 -1.34 0.00 0.00 175.55 176.56 3kf3 h TYR 225 N 8.26 0.52 0.00 4.97 -1.99 -1.93 -3.48 116.97 123.32 3kf3 h TYR 225 Ca -0.25 -0.29 0.00 0.00 2.00 0.00 0.00 58.73 60.19 3kf3 h TYR 225 Cb 1.10 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.78 3kf3 h TYR 225 CO 0.77 1.11 0.00 0.41 -0.00 0.00 0.00 178.16 180.46 3kf3 n GLY 226 N 1.12 2.15 0.13 3.88 0.00 -1.26 -3.57 105.19 107.64 3kf3 n GLY 226 Ca -0.10 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 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 5.48 0.51 -4.87 1.61 -1.24 -1.53 -3.49 115.58 112.05 3kf3 h ASN 227 Ca 0.00 -0.77 -0.08 0.00 0.71 0.00 0.00 56.30 56.16 3kf3 h ASN 227 Cb 0.00 -0.17 -0.20 0.00 0.73 0.00 0.00 38.32 38.69 3kf3 h ASN 227 CO 0.00 1.65 -0.01 -1.10 -1.29 0.00 0.00 177.43 176.68 3kf3 s GLN 228 N -2.59 0.87 -0.00 6.67 -0.21 -1.23 -4.80 119.66 118.36 3kf3 s GLN 228 Ca -0.14 0.15 -0.20 0.00 0.02 0.00 0.00 55.36 55.19 3kf3 s GLN 228 Cb 0.06 0.40 -0.05 0.00 1.00 0.00 0.00 33.01 34.42 3kf3 s GLN 228 CO 0.85 -0.25 0.59 0.71 -2.12 0.00 0.00 175.29 175.07 3kf3 s TYR 229 N -1.07 3.68 0.21 0.91 1.51 -0.31 -3.36 117.35 118.93 3kf3 s TYR 229 Ca -0.11 1.19 -0.02 0.00 -1.01 0.00 0.00 57.07 57.13 3kf3 s TYR 229 Cb -0.02 -2.60 -0.04 0.00 -0.11 0.00 0.00 41.96 39.19 3kf3 s TYR 229 CO 0.07 0.36 0.16 -1.21 -1.11 0.00 0.00 175.55 173.82 3kf3 s GLU 230 N -0.22 1.24 -0.19 -0.62 2.02 0.81 -4.25 118.70 117.50 3kf3 s GLU 230 Ca 0.31 -1.62 -0.00 0.00 0.02 0.00 0.00 54.97 53.68 3kf3 s GLU 230 Cb -0.18 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.33 3kf3 s GLU 230 CO 0.17 -0.42 0.14 0.00 0.02 0.00 0.00 175.26 175.17 3kf3 s PRO 232 N -2.74 3.09 0.02 0.00 0.04 -1.26 -3.69 135.00 130.46 3kf3 s PRO 232 Ca 0.00 1.07 -0.06 0.00 0.04 0.00 0.00 61.00 62.05 3kf3 s PRO 232 Cb -0.00 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 3kf3 s PRO 232 CO 0.20 -0.98 0.12 0.20 0.04 0.00 0.00 177.00 176.58 3kf3 s GLY 233 N -3.33 0.09 -0.17 0.56 0.00 -0.20 -4.43 107.32 99.85 3kf3 s GLY 233 Ca 0.61 -0.29 -0.05 0.00 0.00 0.00 0.00 44.72 44.99 3kf3 s GLY 233 CO 0.47 -0.42 0.31 -2.27 0.00 0.00 0.00 173.10 171.19 3kf3 s LEU 234 N -1.64 -0.41 -0.03 0.66 2.96 -1.26 0.50 118.68 119.46 3kf3 s LEU 234 Ca -0.12 0.53 -0.21 0.00 -0.22 0.00 0.00 54.13 54.11 3kf3 s LEU 234 Cb -0.06 0.88 0.04 0.00 0.50 0.00 0.00 46.19 47.56 3kf3 s LEU 234 CO -0.01 -0.26 0.47 -0.51 -1.32 0.00 0.00 176.35 174.72 3kf3 s ILE 235 N 2.47 0.03 -0.21 6.68 2.07 -0.85 -4.97 121.20 126.42 3kf3 s ILE 235 Ca 0.03 -0.27 -0.26 0.00 -1.41 0.00 0.00 60.65 58.75 3kf3 s ILE 235 Cb -0.13 -0.77 -0.00 0.00 0.13 0.00 0.00 42.46 41.68 3kf3 s ILE 235 CO -0.11 -0.15 0.88 -0.70 -1.91 0.00 0.00 174.94 172.96 3kf3 s GLU 236 N -1.22 4.24 -0.13 3.50 2.12 -1.26 -0.78 118.70 125.17 3kf3 s GLU 236 Ca -0.12 1.08 0.00 0.00 0.36 0.00 0.00 54.97 56.29 3kf3 s GLU 236 Cb -0.03 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.73 3kf3 s GLU 236 CO 0.06 -0.48 -0.14 0.08 -0.54 0.00 0.00 175.26 174.25 3kf3 s VAL 237 N 2.68 2.97 0.35 3.70 1.01 0.11 -4.87 120.40 126.35 3kf3 s VAL 237 Ca 0.38 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 3kf3 s VAL 237 Cb -0.16 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 3kf3 s VAL 237 CO 0.09 0.52 1.18 -2.16 0.00 0.00 0.00 175.10 174.73 3kf3 s PRO 238 N 0.43 4.28 -0.08 2.72 0.04 -1.26 -1.58 135.00 139.55 3kf3 s PRO 238 Ca -0.10 1.92 -0.22 0.00 0.04 0.00 0.00 61.00 62.63 3kf3 s PRO 238 Cb -0.16 -2.90 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 3kf3 s PRO 238 CO 0.05 -0.14 0.64 0.42 0.04 0.00 0.00 177.00 178.01 3kf3 s ILE 239 N -1.29 5.08 0.62 0.56 1.01 -0.48 -1.23 121.20 125.48 3kf3 s ILE 239 Ca 0.52 1.32 -0.19 0.00 0.00 0.00 0.00 60.65 62.30 3kf3 s ILE 239 Cb -0.33 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.14 3kf3 s ILE 239 CO 0.43 0.27 1.31 -1.61 0.00 0.00 0.00 174.94 175.34 3kf3 s GLU 240 N 0.76 2.69 -1.46 2.79 2.02 -0.00 -3.34 118.70 122.16 3kf3 s GLU 240 Ca 0.35 2.11 -0.05 0.00 0.02 0.00 0.00 54.97 57.40 3kf3 s GLU 240 Cb -0.17 -1.94 0.02 0.00 0.10 0.00 0.00 34.13 32.14 3kf3 s GLU 240 CO 0.16 -1.51 0.43 0.09 0.02 0.00 0.00 175.26 174.46 3kf3 n ASN 241 N -1.70 -5.21 -3.67 -0.19 3.02 -1.26 -4.94 115.26 101.30 3kf3 n ASN 241 Ca 0.15 -0.22 -0.07 0.00 -0.03 0.00 0.00 54.58 54.40 3kf3 n ASN 241 Cb 0.47 -4.27 -0.01 0.00 -0.61 0.00 0.00 39.78 35.37 3kf3 n ASN 241 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kf3 s SER 242 N -2.55 -0.20 0.00 6.41 1.04 -1.21 -5.02 113.70 112.16 3kf3 s SER 242 Ca 0.26 -0.70 0.25 0.00 0.48 0.00 0.00 55.95 56.24 3kf3 s SER 242 Cb -0.12 0.73 0.63 0.00 0.10 0.00 0.00 66.02 67.36 3kf3 s SER 242 CO 0.32 -1.38 1.51 0.47 0.98 0.00 0.00 173.24 175.14 3kf3 n ASP 243 N -0.65 2.26 -4.95 7.02 8.00 -1.26 -4.80 116.55 122.18 3kf3 n ASP 243 Ca -0.05 -1.76 -0.23 0.00 0.71 0.00 0.00 54.79 53.46 3kf3 n ASP 243 Cb 0.59 -0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.67 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 -1.95 3.17 0.21 -1.24 -0.14 -1.26 -5.00 119.74 113.54 3kf3 s LYS 244 Ca 0.34 -0.40 -0.11 0.00 -1.36 0.00 0.00 55.97 54.43 3kf3 s LYS 244 Cb 0.20 -2.56 -0.00 0.00 -1.68 0.00 0.00 37.83 33.79 3kf3 s LYS 244 CO 0.31 -0.19 0.40 -1.54 -0.76 0.00 0.00 175.35 173.57 3kf3 s SER 245 N -4.18 -0.05 0.12 2.83 1.04 -1.26 -1.38 113.70 110.82 3kf3 s SER 245 Ca 0.47 -0.89 0.04 0.00 0.48 0.00 0.00 55.95 56.05 3kf3 s SER 245 Cb -0.10 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 3kf3 s SER 245 CO 0.38 -1.03 -0.11 -0.54 0.98 0.00 0.00 173.24 172.92 3kf3 s LYS 246 N -4.00 0.95 0.11 4.02 -0.14 -0.62 -4.91 119.74 115.15 3kf3 s LYS 246 Ca 0.20 -1.27 -0.25 0.00 -1.36 0.00 0.00 55.97 53.29 3kf3 s LYS 246 Cb 0.01 -0.62 -0.07 0.00 -1.68 0.00 0.00 37.83 35.47 3kf3 s LYS 246 CO 0.05 0.09 0.78 -1.58 -0.76 0.00 0.00 175.35 173.94 3kf3 s TRP 247 N -2.68 3.82 -0.13 3.18 0.52 -0.29 0.04 118.94 123.40 3kf3 s TRP 247 Ca 0.10 1.57 0.01 0.00 0.02 0.00 0.00 56.10 57.80 3kf3 s TRP 247 Cb -0.01 -2.81 0.02 0.00 -1.15 0.00 0.00 33.47 29.52 3kf3 s TRP 247 CO 0.01 0.39 -0.15 0.08 0.02 0.00 0.00 176.95 177.29 3kf3 s VAL 248 N -0.58 1.57 -0.22 4.03 1.01 0.03 -0.66 120.40 125.59 3kf3 s VAL 248 Ca 0.38 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 3kf3 s VAL 248 Cb -0.22 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3kf3 s VAL 248 CO 0.25 0.46 0.41 -0.32 0.00 0.00 0.00 175.10 175.89 3kf3 s MET 249 N 1.24 4.14 0.07 2.72 1.75 -0.26 -2.01 119.30 126.94 3kf3 s MET 249 Ca -0.01 0.19 0.01 0.00 -1.25 0.00 0.00 55.69 54.63 3kf3 s MET 249 Cb -0.14 -3.57 -0.04 0.00 2.84 0.00 0.00 34.83 33.93 3kf3 s MET 249 CO -0.06 -0.11 0.18 -0.06 -0.65 0.00 0.00 175.02 174.32 3kf3 s PHE 250 N 1.53 3.44 -0.20 4.11 0.40 0.18 -0.78 117.98 126.66 3kf3 s PHE 250 Ca 0.19 0.21 -0.10 0.00 -0.60 0.00 0.00 56.93 56.63 3kf3 s PHE 250 Cb -0.15 -1.73 0.07 0.00 0.51 0.00 0.00 43.02 41.73 3kf3 s PHE 250 CO 0.08 0.57 0.46 -1.17 0.70 0.00 0.00 175.22 175.87 3kf3 s LEU 251 N -2.49 -0.40 -0.04 -0.37 2.96 -0.32 -1.03 118.68 116.98 3kf3 s LEU 251 Ca 0.34 1.04 -0.08 0.00 -0.22 0.00 0.00 54.13 55.20 3kf3 s LEU 251 Cb -0.13 1.53 -0.05 0.00 0.50 0.00 0.00 46.19 48.05 3kf3 s LEU 251 CO 0.27 -0.21 0.25 0.00 -1.32 0.00 0.00 176.35 175.33 3kf3 s ALA 252 N 1.82 3.83 -0.01 5.97 0.00 -0.69 -0.38 121.76 132.30 3kf3 s ALA 252 Ca -0.07 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.40 3kf3 s ALA 252 Cb -0.09 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 3kf3 s ALA 252 CO -0.14 0.60 -0.12 0.96 0.00 0.00 0.00 175.76 177.06 3kf3 s ILE 253 N -1.15 0.97 -0.28 0.00 -4.36 -0.23 -0.13 121.20 116.02 3kf3 s ILE 253 Ca 0.22 -0.51 -0.22 0.00 -0.26 0.00 0.00 60.65 59.88 3kf3 s ILE 253 Cb -0.13 -0.82 0.11 0.00 1.25 0.00 0.00 42.46 42.87 3kf3 s ILE 253 CO 0.11 0.28 0.92 0.21 0.24 0.00 0.00 174.94 176.69 3kf3 s ASN 254 N -0.19 -0.58 0.55 4.36 2.47 -1.21 -1.91 114.94 118.43 3kf3 s ASN 254 Ca 0.03 1.06 0.00 0.00 0.42 0.00 0.00 52.86 54.37 3kf3 s ASN 254 Cb -0.06 1.12 0.00 0.00 -1.45 0.00 0.00 41.25 40.87 3kf3 s ASN 254 CO -0.00 -0.18 0.00 -0.81 -3.72 0.00 0.00 177.10 172.39 3kf3 n PRO 255 N 2.84 0.47 -0.39 0.43 -0.04 -1.26 -4.02 135.00 133.02 3kf3 n PRO 255 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 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 5.00 0.77 3.76 0.55 0.00 -1.02 -1.47 105.19 112.78 3kf3 n GLY 256 Ca 0.00 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 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 0.52 3.38 0.09 1.61 2.88 -0.16 -4.36 113.62 117.58 3kf3 n SER 257 Ca 0.00 1.16 0.09 0.00 -1.33 0.00 0.00 58.87 58.79 3kf3 n SER 257 Cb 0.00 -1.59 0.40 0.00 -0.75 0.00 0.00 64.21 62.26 3kf3 n SER 257 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3kf3 n PRO 258 N 0.07 0.11 0.00 -1.46 -0.04 -1.26 -0.33 135.00 132.09 3kf3 n PRO 258 Ca 0.04 0.46 0.13 0.00 -0.04 0.00 0.00 63.50 64.08 3kf3 n PRO 258 Cb 0.40 -1.76 0.27 0.00 -0.04 0.00 0.00 33.50 32.37 3kf3 n PRO 258 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3kf3 n LEU 259 N -1.97 1.61 -0.06 1.53 4.32 -1.26 -5.03 117.00 116.14 3kf3 n LEU 259 Ca 0.01 -0.53 0.00 0.00 -0.02 0.00 0.00 56.01 55.48 3kf3 n LEU 259 Cb 0.13 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 3kf3 n LEU 259 CO 0.12 0.29 0.00 0.61 -1.22 0.00 0.00 177.39 177.19 3kf3 n GLY 260 N 1.33 0.65 6.42 -0.72 0.00 0.55 -4.97 105.19 108.45 3kf3 n GLY 260 Ca 0.13 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 2.50 1.99 3.61 -0.02 0.00 -1.26 -4.73 105.19 107.28 3kf3 n GLY 261 Ca 0.00 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 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 4.62 0.05 1.61 1.04 -1.26 -0.99 113.70 114.77 3kf3 s SER 262 Ca 0.00 -0.23 -0.27 0.00 0.48 0.00 0.00 55.95 55.94 3kf3 s SER 262 Cb 0.00 -1.02 0.08 0.00 0.10 0.00 0.00 66.02 65.18 3kf3 s SER 262 CO 0.00 0.23 0.71 -0.51 0.98 0.00 0.00 173.24 174.65 3kf3 s ILE 263 N -1.12 0.00 -0.07 -1.02 2.07 -0.80 -4.80 121.20 115.46 3kf3 s ILE 263 Ca 0.20 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.43 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 0.11 0.00 -0.02 0.20 -1.91 0.00 0.00 174.94 173.33 3kf3 s ASN 264 N -2.24 5.05 0.29 4.50 0.01 -1.25 -1.06 114.94 120.23 3kf3 s ASN 264 Ca -0.01 0.07 0.03 0.00 -0.71 0.00 0.00 52.86 52.24 3kf3 s ASN 264 Cb -0.01 -1.36 -0.06 0.00 0.41 0.00 0.00 41.25 40.23 3kf3 s ASN 264 CO -0.06 0.36 0.06 0.00 -1.51 0.00 0.00 177.10 175.95 3kf3 s GLN 265 N -0.98 1.53 0.09 -0.60 -2.07 0.49 -0.30 119.66 117.82 3kf3 s GLN 265 Ca 0.14 -1.83 -0.07 0.00 -1.82 0.00 0.00 55.36 51.78 3kf3 s GLN 265 Cb -0.11 -0.62 -0.01 0.00 -1.09 0.00 0.00 33.01 31.17 3kf3 s GLN 265 CO 0.03 -0.21 0.15 1.52 -1.32 0.00 0.00 175.29 175.46 3kf3 s TYR 266 N -3.47 0.27 0.00 9.60 -0.85 -0.29 -1.17 117.35 121.43 3kf3 s TYR 266 Ca 0.36 -0.71 0.01 0.00 -0.52 0.00 0.00 57.07 56.21 3kf3 s TYR 266 Cb 0.08 -0.14 -0.01 0.00 0.38 0.00 0.00 41.96 42.28 3kf3 s TYR 266 CO 0.14 -0.53 -0.05 -0.06 -1.52 0.00 0.00 175.55 173.53 3kf3 s PHE 267 N -3.89 0.43 -0.13 -3.49 0.08 0.04 -4.05 117.98 106.97 3kf3 s PHE 267 Ca 0.07 -0.12 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 3kf3 s PHE 267 Cb 0.05 -0.27 -0.02 0.00 -0.57 0.00 0.00 43.02 42.21 3kf3 s PHE 267 CO -0.09 -0.02 -0.11 0.08 -0.10 0.00 0.00 175.22 174.98 3kf3 s VAL 268 N -0.23 3.22 0.00 -0.44 1.01 -1.26 -1.11 120.40 121.60 3kf3 s VAL 268 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3kf3 s VAL 268 Cb -0.03 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 34.00 3kf3 s VAL 268 CO -0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3kf3 n GLY 269 N 3.40 1.68 3.12 4.51 0.00 0.16 -0.15 105.19 117.91 3kf3 n GLY 269 Ca -0.18 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 0.97 -0.03 1.61 2.15 -0.09 -1.14 116.67 122.14 3kf3 s ASP 270 Ca 0.00 -0.84 -0.02 0.00 0.43 0.00 0.00 52.55 52.12 3kf3 s ASP 270 Cb 0.00 0.08 0.02 0.00 -0.30 0.00 0.00 42.92 42.72 3kf3 s ASP 270 CO 0.00 -0.38 0.08 0.12 -0.17 0.00 0.00 175.17 174.81 3kf3 s PHE 271 N -2.84 -0.07 -1.15 -5.34 5.36 -1.26 -0.46 117.98 112.23 3kf3 s PHE 271 Ca 0.03 0.23 0.10 0.00 -0.96 0.00 0.00 56.93 56.33 3kf3 s PHE 271 Cb -0.00 -0.04 0.11 0.00 -0.34 0.00 0.00 43.02 42.75 3kf3 s PHE 271 CO -0.03 -0.07 0.88 -0.40 -1.46 0.00 0.00 175.22 174.14 3kf3 n ASP 272 N 3.48 1.98 0.00 6.13 5.75 -1.22 -4.95 116.55 127.72 3kf3 n ASP 272 Ca -0.18 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 3kf3 n ASP 272 Cb 0.56 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 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 0.52 0.09 0.94 6.12 0.00 -1.26 -4.64 105.19 106.95 3kf3 n GLY 273 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.89 0.00 -4.17 1.61 3.01 -1.26 -4.94 117.46 109.82 3kf3 n PHE 274 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.30 3kf3 n PHE 274 Cb 0.00 0.12 -0.13 0.00 -0.01 0.00 0.00 39.48 39.46 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 -1.90 0.64 -0.17 -1.08 -2.07 -1.26 -3.84 119.66 109.98 3kf3 s GLN 275 Ca 0.00 -0.64 -0.16 0.00 -1.82 0.00 0.00 55.36 52.74 3kf3 s GLN 275 Cb 0.00 -0.54 -0.04 0.00 -1.09 0.00 0.00 33.01 31.34 3kf3 s GLN 275 CO 0.00 0.12 0.38 0.12 -1.32 0.00 0.00 175.29 174.59 3kf3 s PHE 276 N -0.94 3.44 -0.30 9.60 5.36 -1.26 -3.40 117.98 130.47 3kf3 s PHE 276 Ca -0.04 0.67 0.01 0.00 -0.96 0.00 0.00 56.93 56.62 3kf3 s PHE 276 Cb -0.08 -2.46 0.07 0.00 -0.34 0.00 0.00 43.02 40.21 3kf3 s PHE 276 CO 0.01 0.13 -0.02 0.08 -1.46 0.00 0.00 175.22 173.95 3kf3 s VAL 277 N 0.83 2.54 0.60 3.12 1.01 0.40 -4.97 120.40 123.92 3kf3 s VAL 277 Ca 0.20 -1.74 -0.18 0.00 0.00 0.00 0.00 61.98 60.26 3kf3 s VAL 277 Cb -0.14 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 3kf3 s VAL 277 CO 0.07 -0.22 1.16 -2.16 0.00 0.00 0.00 175.10 173.94 3kf3 s PRO 278 N 1.11 3.02 0.41 2.72 0.04 -1.26 -0.91 135.00 140.13 3kf3 s PRO 278 Ca -0.02 1.66 0.22 0.00 0.04 0.00 0.00 61.00 62.90 3kf3 s PRO 278 Cb -0.20 -1.95 0.75 0.00 0.04 0.00 0.00 34.50 33.14 3kf3 s PRO 278 CO -0.04 -1.12 1.75 -0.44 0.04 0.00 0.00 177.00 177.18 3kf3 h ASP 279 N 0.76 0.00 -2.88 6.66 3.32 -0.89 -3.47 116.42 119.93 3kf3 h ASP 279 Ca -0.49 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.41 3kf3 h ASP 279 Cb 1.27 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.79 3kf3 h ASP 279 CO 0.55 0.26 -0.08 -0.90 -1.72 0.00 0.00 179.24 177.35 3kf3 n ASP 280 N -3.35 -0.74 -0.80 6.45 3.85 -1.26 -5.07 116.55 115.64 3kf3 n ASP 280 Ca 0.01 -2.02 0.02 0.00 -0.71 0.00 0.00 54.79 52.08 3kf3 n ASP 280 Cb 0.48 1.38 0.20 0.00 -1.35 0.00 0.00 41.12 41.84 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 -1.86 1.99 -4.87 -1.12 3.41 -1.26 -4.96 113.62 104.96 3kf3 n SER 281 Ca 0.00 -3.88 -0.31 0.00 -0.26 0.00 0.00 58.87 54.43 3kf3 n SER 281 Cb 0.32 -0.56 -0.04 0.00 -0.26 0.00 0.00 64.21 63.67 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 -3.25 3.83 -0.20 4.33 -2.07 -1.26 -4.84 119.66 116.20 3kf3 s GLN 282 Ca 0.40 0.54 -0.08 0.00 -1.82 0.00 0.00 55.36 54.40 3kf3 s GLN 282 Cb 0.38 -2.38 -0.04 0.00 -1.09 0.00 0.00 33.01 29.88 3kf3 s GLN 282 CO -0.05 -0.02 0.08 0.99 -1.32 0.00 0.00 175.29 174.97 3kf3 s THR 283 N -2.33 4.80 0.01 3.63 2.01 -1.26 -4.86 115.64 117.64 3kf3 s THR 283 Ca 0.52 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.50 3kf3 s THR 283 Cb -0.10 -3.19 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 3kf3 s THR 283 CO 0.29 0.43 -0.01 -0.13 -0.69 0.00 0.00 174.62 174.50 3kf3 s ARG 284 N 0.65 0.12 0.07 4.92 0.52 -1.26 -5.07 118.95 118.90 3kf3 s ARG 284 Ca 0.04 -0.18 -0.06 0.00 -0.52 0.00 0.00 55.73 55.01 3kf3 s ARG 284 Cb -0.13 -0.01 -0.05 0.00 0.52 0.00 0.00 34.95 35.28 3kf3 s ARG 284 CO 0.01 -0.00 0.32 -0.06 0.02 0.00 0.00 175.30 175.59 3kf3 s PHE 285 N -0.41 3.54 0.15 -0.53 0.40 -1.26 -1.14 117.98 118.73 3kf3 s PHE 285 Ca -0.04 0.57 -0.09 0.00 -0.60 0.00 0.00 56.93 56.77 3kf3 s PHE 285 Cb -0.03 -2.00 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 3kf3 s PHE 285 CO -0.00 0.54 1.46 0.28 0.70 0.00 0.00 175.22 178.20 3kf3 h VAL 286 N 2.62 1.28 -3.10 -0.44 2.07 -0.95 -3.44 116.25 114.28 3kf3 h VAL 286 Ca -0.48 -1.67 -0.21 0.00 0.82 0.00 0.00 66.70 65.16 3kf3 h VAL 286 Cb 1.18 1.56 -0.30 0.00 -1.52 0.00 0.00 31.29 32.21 3kf3 h VAL 286 CO 0.69 0.55 -0.52 -0.62 0.02 0.00 0.00 177.57 177.69 3kf3 s ASP 287 N -6.91 -0.22 -0.32 0.57 -1.08 -1.26 -4.53 116.67 102.93 3kf3 s ASP 287 Ca -0.10 0.45 0.10 0.00 -0.52 0.00 0.00 52.55 52.48 3kf3 s ASP 287 Cb 0.11 0.34 0.72 0.00 -1.46 0.00 0.00 42.92 42.63 3kf3 s ASP 287 CO 0.88 -0.16 1.77 2.30 0.52 0.00 0.00 175.17 180.48 3kf3 n ILE 288 N 4.15 2.90 -2.36 4.11 -5.35 -0.42 -4.75 119.36 117.64 3kf3 n ILE 288 Ca -0.25 -1.76 -0.25 0.00 -0.27 0.00 0.00 62.75 60.23 3kf3 n ILE 288 Cb 0.53 -0.36 0.10 0.00 -1.74 0.00 0.00 39.64 38.17 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 -1.22 1.75 0.42 3.28 0.00 -1.26 -4.84 107.32 105.45 3kf3 s GLY 289 Ca 0.54 -1.32 0.22 0.00 0.00 0.00 0.00 44.72 44.16 3kf3 s GLY 289 CO 0.12 -0.81 1.61 1.70 0.00 0.00 0.00 173.10 175.72 3kf3 h LYS 290 N -0.65 0.00 -2.23 2.90 1.63 -1.83 -3.41 116.57 112.97 3kf3 h LYS 290 Ca -0.41 0.00 -0.57 0.00 -0.85 0.00 0.00 60.65 58.82 3kf3 h LYS 290 Cb 1.28 0.00 -0.42 0.00 -0.60 0.00 0.00 32.23 32.50 3kf3 h LYS 290 CO 0.48 0.10 -0.75 -0.25 -3.45 0.00 0.00 179.45 175.58 3kf3 n ASP 291 N -3.13 3.73 -3.41 4.20 8.00 -0.70 -4.37 116.55 120.88 3kf3 n ASP 291 Ca 0.03 -3.54 -0.18 0.00 0.71 0.00 0.00 54.79 51.80 3kf3 n ASP 291 Cb 0.55 -0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 40.98 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 -3.24 -0.32 0.04 1.24 5.36 -1.24 -3.45 117.98 116.36 3kf3 s PHE 292 Ca 0.47 -0.42 0.01 0.00 -0.96 0.00 0.00 56.93 56.03 3kf3 s PHE 292 Cb 0.29 -0.50 -0.03 0.00 -0.34 0.00 0.00 43.02 42.44 3kf3 s PHE 292 CO -0.13 -0.92 -0.05 -0.47 -1.46 0.00 0.00 175.22 172.19 3kf3 s TYR 293 N 2.10 0.50 -1.10 10.12 5.04 -0.39 -3.78 117.35 129.85 3kf3 s TYR 293 Ca 0.11 -0.61 -0.04 0.00 -2.44 0.00 0.00 57.07 54.09 3kf3 s TYR 293 Cb -0.15 -0.32 0.00 0.00 0.35 0.00 0.00 41.96 41.84 3kf3 s TYR 293 CO -0.26 -0.17 0.94 0.00 -1.34 0.00 0.00 175.55 174.72 3kf3 n ALA 294 N 1.23 -1.47 -1.78 3.97 0.00 -1.26 -0.26 120.51 120.94 3kf3 n ALA 294 Ca -0.21 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 3kf3 n ALA 294 Cb 0.56 -3.38 -0.00 0.00 0.00 0.00 0.00 19.45 16.63 3kf3 n ALA 294 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3kf3 s PHE 295 N -3.30 2.62 0.01 0.00 5.36 -1.26 -4.31 117.98 117.10 3kf3 s PHE 295 Ca 0.23 1.10 -0.01 0.00 -0.96 0.00 0.00 56.93 57.29 3kf3 s PHE 295 Cb -0.10 -4.03 -0.01 0.00 -0.34 0.00 0.00 43.02 38.54 3kf3 s PHE 295 CO 0.63 -3.08 0.01 -1.14 -1.46 0.00 0.00 175.22 170.18 3kf3 s GLN 296 N -1.80 0.24 0.23 10.12 0.74 -0.53 -4.88 119.66 123.77 3kf3 s GLN 296 Ca 0.55 -0.38 -0.08 0.00 0.05 0.00 0.00 55.36 55.50 3kf3 s GLN 296 Cb -0.47 0.09 -0.06 0.00 1.10 0.00 0.00 33.01 33.67 3kf3 s GLN 296 CO 0.60 -0.04 0.53 0.95 -0.55 0.00 0.00 175.29 176.78 3kf3 s THR 297 N -0.97 4.99 0.23 -0.34 -4.23 -1.26 -1.53 115.64 112.52 3kf3 s THR 297 Ca -0.11 0.29 -0.30 0.00 -1.18 0.00 0.00 61.69 60.40 3kf3 s THR 297 Cb -0.07 -3.65 -0.09 0.00 1.34 0.00 0.00 72.50 70.04 3kf3 s THR 297 CO -0.00 -0.13 1.13 -0.36 -0.54 0.00 0.00 174.62 174.71 3kf3 s PHE 298 N -1.87 3.54 0.45 3.99 0.40 0.29 -4.62 117.98 120.15 3kf3 s PHE 298 Ca 0.45 1.60 -0.15 0.00 -0.60 0.00 0.00 56.93 58.24 3kf3 s PHE 298 Cb -0.11 -3.32 -0.08 0.00 0.51 0.00 0.00 43.02 40.02 3kf3 s PHE 298 CO 0.24 -0.75 0.88 -1.12 0.70 0.00 0.00 175.22 175.17 3kf3 s SER 299 N -0.42 6.63 -0.95 1.36 0.01 -0.19 -4.33 113.70 115.81 3kf3 s SER 299 Ca 0.48 1.39 0.00 0.00 1.31 0.00 0.00 55.95 59.13 3kf3 s SER 299 Cb -0.32 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.49 3kf3 s SER 299 CO 0.39 -0.46 0.00 -0.62 0.41 0.00 0.00 173.24 172.96 3kf3 n GLU 300 N -1.26 -0.79 -2.85 12.44 -0.58 -1.26 -1.54 120.64 124.81 3kf3 n GLU 300 Ca 0.05 0.62 -0.42 0.00 -0.42 0.00 0.00 57.16 56.99 3kf3 n GLU 300 Cb 0.54 -4.65 -0.04 0.00 -0.57 0.00 0.00 31.44 26.72 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 4.82 0.01 2.62 1.01 -1.26 -4.66 120.40 120.46 3kf3 s VAL 301 Ca 0.00 1.67 -0.16 0.00 0.00 0.00 0.00 61.98 63.49 3kf3 s VAL 301 Cb 0.00 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 3kf3 s VAL 301 CO 0.00 -0.06 0.45 -0.70 0.00 0.00 0.00 175.10 174.79 3kf3 s GLU 302 N 2.71 4.02 -0.07 2.72 2.56 -1.26 -4.66 118.70 124.72 3kf3 s GLU 302 Ca 0.37 0.49 -0.02 0.00 0.00 0.00 0.00 54.97 55.82 3kf3 s GLU 302 Cb -0.16 -3.24 0.00 0.00 2.00 0.00 0.00 34.13 32.73 3kf3 s GLU 302 CO 0.09 0.64 0.08 0.72 -0.56 0.00 0.00 175.26 176.22 3kf3 n HIS 303 N 1.95 -0.64 -2.43 5.30 8.25 -1.26 -4.99 115.22 121.39 3kf3 n HIS 303 Ca -0.13 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 3kf3 n HIS 303 Cb 0.52 -1.96 0.00 0.00 1.12 0.00 0.00 29.99 29.67 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 -0.31 -1.37 2.87 -1.41 0.00 -1.26 -4.91 105.19 98.80 3kf3 n GLY 304 Ca 0.02 -1.54 -0.23 0.00 0.00 0.00 0.00 46.02 44.26 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 0.64 0.04 1.61 1.01 -1.26 -4.88 120.40 117.56 3kf3 s VAL 305 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 61.95 3kf3 s VAL 305 Cb 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 3kf3 s VAL 305 CO 0.00 0.28 -0.25 -0.76 0.00 0.00 0.00 175.10 174.37 3kf3 s LEU 306 N 1.37 2.15 0.27 3.92 1.02 -1.26 -0.48 118.68 125.67 3kf3 s LEU 306 Ca -0.03 -0.56 -0.21 0.00 0.02 0.00 0.00 54.13 53.34 3kf3 s LEU 306 Cb -0.13 -1.23 0.04 0.00 0.02 0.00 0.00 46.19 44.89 3kf3 s LEU 306 CO -0.03 0.25 0.80 -0.83 0.02 0.00 0.00 176.35 176.56 3kf3 s GLY 307 N -1.15 -0.04 0.25 -3.19 0.00 -0.69 -0.54 107.32 101.95 3kf3 s GLY 307 Ca 0.11 -0.29 -0.13 0.00 0.00 0.00 0.00 44.72 44.41 3kf3 s GLY 307 CO 0.02 0.01 0.47 0.48 0.00 0.00 0.00 173.10 174.08 3kf3 s LEU 308 N -2.97 0.33 0.29 0.66 0.05 -0.58 -0.35 118.68 116.10 3kf3 s LEU 308 Ca 0.12 -0.93 0.02 0.00 0.05 0.00 0.00 54.13 53.39 3kf3 s LEU 308 Cb -0.05 1.75 -0.05 0.00 -2.05 0.00 0.00 46.19 45.80 3kf3 s LEU 308 CO 0.07 -1.14 0.10 0.00 -0.55 0.00 0.00 176.35 174.83 3kf3 s ALA 309 N -4.02 1.99 -0.16 1.48 0.00 -1.26 -1.46 121.76 118.33 3kf3 s ALA 309 Ca 0.23 -1.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.03 3kf3 s ALA 309 Cb -0.01 0.95 -0.01 0.00 0.00 0.00 0.00 23.12 24.06 3kf3 s ALA 309 CO 0.09 -0.42 1.11 -0.46 0.00 0.00 0.00 175.76 176.08 3kf3 s TRP 310 N -3.59 3.24 -1.28 0.00 -0.00 0.64 -0.44 118.94 117.50 3kf3 s TRP 310 Ca 0.36 1.35 -0.05 0.00 -0.00 0.00 0.00 56.10 57.77 3kf3 s TRP 310 Cb 0.07 -3.33 0.15 0.00 -0.00 0.00 0.00 33.47 30.37 3kf3 s TRP 310 CO 0.15 -0.83 2.28 0.00 -0.00 0.00 0.00 176.95 178.55 3kf3 n ALA 311 N 5.94 6.66 -3.27 5.86 0.00 -0.19 -1.26 120.51 134.24 3kf3 n ALA 311 Ca 0.12 -4.17 -0.02 0.00 0.00 0.00 0.00 53.44 49.37 3kf3 n ALA 311 Cb 0.46 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.23 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 1.52 -0.62 -3.91 0.00 2.88 -1.22 -4.62 113.62 107.64 3kf3 n SER 312 Ca 0.59 -1.53 -0.20 0.00 -1.33 0.00 0.00 58.87 56.41 3kf3 n SER 312 Cb 0.25 1.06 -0.16 0.00 -0.75 0.00 0.00 64.21 64.61 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 -1.66 0.96 0.65 -3.46 3.84 -1.26 -3.71 114.94 110.30 3kf3 s ASN 313 Ca 0.06 -0.14 0.32 0.00 0.21 0.00 0.00 52.86 53.31 3kf3 s ASN 313 Cb -0.01 -0.45 1.72 0.00 -0.55 0.00 0.00 41.25 41.96 3kf3 s ASN 313 CO 0.05 -0.04 2.00 -0.50 -2.79 0.00 0.00 177.10 175.81 3kf3 h TRP 314 N 7.07 0.00 -0.80 0.43 4.06 -1.91 0.04 115.95 124.84 3kf3 h TRP 314 Ca -0.38 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.58 3kf3 h TRP 314 Cb 1.16 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.28 3kf3 h TRP 314 CO 0.49 0.00 0.52 1.96 -3.56 0.00 0.00 178.44 177.86 3kf3 h GLN 315 N 0.00 1.06 0.00 0.49 4.20 -1.95 -3.36 115.11 115.54 3kf3 h GLN 315 Ca 0.04 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3kf3 h GLN 315 Cb 0.62 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3kf3 h GLN 315 CO -0.00 0.70 0.00 2.48 -0.67 0.00 0.00 178.83 181.34 3kf3 n TYR 316 N -4.41 0.00 -0.31 2.96 0.18 -0.85 -4.91 117.16 109.83 3kf3 n TYR 316 Ca 0.09 -0.01 0.12 0.00 1.88 0.00 0.00 57.90 59.99 3kf3 n TYR 316 Cb 0.03 -0.00 0.30 0.00 -0.38 0.00 0.00 39.34 39.29 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 1.45 -0.27 -3.48 0.00 -1.16 -0.03 119.26 115.77 3kf3 h ALA 317 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kf3 h ALA 317 Cb 0.66 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3kf3 h ALA 317 CO 0.00 -0.27 0.00 -0.40 0.00 0.00 0.00 179.25 178.58 3kf3 n ASP 318 N -4.98 1.57 -0.00 0.00 3.85 -1.26 -3.82 116.55 111.90 3kf3 n ASP 318 Ca 0.22 -2.03 0.01 0.00 -0.71 0.00 0.00 54.79 52.27 3kf3 n ASP 318 Cb 0.62 -0.22 -0.01 0.00 -1.35 0.00 0.00 41.12 40.16 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 0.29 6.37 -2.08 0.11 1.13 -0.03 -4.86 117.38 118.31 3kf3 n GLN 319 Ca 0.09 -0.01 -0.37 0.00 -1.94 0.00 0.00 57.00 54.77 3kf3 n GLN 319 Cb 0.26 -0.59 0.01 0.00 0.11 0.00 0.00 30.24 30.04 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 -1.15 2.72 -1.49 5.09 -7.23 -1.18 -4.55 120.40 112.61 3kf3 s VAL 320 Ca 0.01 0.53 -0.09 0.00 -1.81 0.00 0.00 61.98 60.62 3kf3 s VAL 320 Cb 0.01 -3.27 -0.08 0.00 0.56 0.00 0.00 36.38 33.60 3kf3 s VAL 320 CO 0.07 -0.01 2.96 -0.81 -0.31 0.00 0.00 175.10 177.00 3kf3 n PRO 321 N -0.74 3.67 -4.33 4.82 -0.04 -1.26 -4.85 135.00 132.27 3kf3 n PRO 321 Ca 0.09 -2.23 -0.30 0.00 -0.04 0.00 0.00 63.50 61.01 3kf3 n PRO 321 Cb 0.47 -2.73 -0.11 0.00 -0.04 0.00 0.00 33.50 31.10 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 1.78 3.25 -0.21 0.52 -4.23 -1.26 -4.98 115.64 110.50 3kf3 s THR 322 Ca 0.68 -1.23 -0.27 0.00 -1.18 0.00 0.00 61.69 59.70 3kf3 s THR 322 Cb 0.19 -2.48 0.08 0.00 1.34 0.00 0.00 72.50 71.62 3kf3 s THR 322 CO -0.06 0.18 0.74 0.21 -0.54 0.00 0.00 174.62 175.15 3kf3 s ASN 323 N -1.99 -0.69 -0.20 3.99 2.47 -1.26 -4.46 114.94 112.79 3kf3 s ASN 323 Ca 0.19 1.20 0.05 0.00 0.42 0.00 0.00 52.86 54.72 3kf3 s ASN 323 Cb -0.11 1.16 0.43 0.00 -1.45 0.00 0.00 41.25 41.28 3kf3 s ASN 323 CO 0.11 -0.33 1.39 -0.81 -3.72 0.00 0.00 177.10 173.74 3kf3 n PRO 324 N 2.16 2.43 -4.27 0.43 -0.04 -1.26 -0.65 135.00 133.80 3kf3 n PRO 324 Ca -0.15 -1.77 -0.15 0.00 -0.04 0.00 0.00 63.50 61.39 3kf3 n PRO 324 Cb 0.56 -1.80 -0.10 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.95 1.34 -0.02 0.54 -2.14 -1.26 -0.88 118.94 114.56 3kf3 s TRP 325 Ca 0.32 -0.83 0.02 0.00 2.66 0.00 0.00 56.10 58.28 3kf3 s TRP 325 Cb 0.26 -0.72 0.00 0.00 -3.10 0.00 0.00 33.47 29.91 3kf3 s TRP 325 CO 0.08 0.02 -0.08 1.03 -2.66 0.00 0.00 176.95 175.34 3kf3 s ARG 326 N -3.79 0.83 0.00 3.25 0.52 -0.53 -4.58 118.95 114.65 3kf3 s ARG 326 Ca 0.20 -0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 3kf3 s ARG 326 Cb 0.04 -0.79 0.00 0.00 0.52 0.00 0.00 34.95 34.72 3kf3 s ARG 326 CO 0.03 0.13 0.00 0.43 0.02 0.00 0.00 175.30 175.91 3kf3 n SER 327 N 3.17 -0.29 -4.54 0.23 7.64 -1.26 -2.58 113.62 115.99 3kf3 n SER 327 Ca -0.17 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.46 3kf3 n SER 327 Cb 0.55 0.26 -0.11 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 -0.50 3.39 0.70 6.43 1.04 -1.26 -4.46 113.70 119.04 3kf3 s SER 328 Ca 0.00 -1.29 -0.09 0.00 0.48 0.00 0.00 55.95 55.05 3kf3 s SER 328 Cb 0.00 -0.29 0.03 0.00 0.10 0.00 0.00 66.02 65.86 3kf3 s SER 328 CO 0.00 -0.38 1.05 0.42 0.98 0.00 0.00 173.24 175.30 3kf3 s THR 329 N -2.83 3.02 0.96 2.02 -4.23 -0.75 -1.03 115.64 112.80 3kf3 s THR 329 Ca 0.33 0.12 -0.13 0.00 -1.18 0.00 0.00 61.69 60.84 3kf3 s THR 329 Cb 0.06 -3.29 0.17 0.00 1.34 0.00 0.00 72.50 70.78 3kf3 s THR 329 CO 0.16 -0.35 1.13 -0.94 -0.54 0.00 0.00 174.62 174.09 3kf3 s SER 330 N -4.42 3.03 0.79 3.99 1.04 0.41 -4.54 113.70 114.01 3kf3 s SER 330 Ca 0.58 0.94 -0.13 0.00 0.48 0.00 0.00 55.95 57.82 3kf3 s SER 330 Cb -0.11 -1.48 0.07 0.00 0.10 0.00 0.00 66.02 64.61 3kf3 s SER 330 CO 0.48 -2.85 1.20 -0.76 0.98 0.00 0.00 173.24 172.29 3kf3 s LEU 331 N -6.21 3.17 0.36 2.42 1.43 -1.26 -4.69 118.68 113.90 3kf3 s LEU 331 Ca 0.65 2.34 -0.28 0.00 -1.03 0.00 0.00 54.13 55.82 3kf3 s LEU 331 Cb -0.15 -4.59 -0.10 0.00 0.03 0.00 0.00 46.19 41.39 3kf3 s LEU 331 CO 0.54 -2.56 1.30 0.00 0.23 0.00 0.00 176.35 175.86 3kf3 s ALA 332 N -2.15 3.40 0.10 4.21 0.00 -1.26 -4.68 121.76 121.38 3kf3 s ALA 332 Ca 0.73 1.24 0.07 0.00 0.00 0.00 0.00 51.96 54.00 3kf3 s ALA 332 Cb -0.28 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 3kf3 s ALA 332 CO 0.50 -0.71 -0.18 1.03 0.00 0.00 0.00 175.76 176.40 3kf3 s ARG 333 N -1.98 1.02 -0.23 0.00 0.52 0.52 -0.82 118.95 117.99 3kf3 s ARG 333 Ca 0.52 -1.12 -0.08 0.00 -0.52 0.00 0.00 55.73 54.53 3kf3 s ARG 333 Cb -0.39 -1.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.89 3kf3 s ARG 333 CO 0.51 0.26 0.09 1.21 0.02 0.00 0.00 175.30 177.39 3kf3 s ASN 334 N -1.96 5.53 -0.21 0.23 3.84 0.10 -1.71 114.94 120.76 3kf3 s ASN 334 Ca 0.05 -0.05 -0.06 0.00 0.21 0.00 0.00 52.86 53.01 3kf3 s ASN 334 Cb -0.09 -1.98 -0.03 0.00 -0.55 0.00 0.00 41.25 38.60 3kf3 s ASN 334 CO 0.04 0.05 0.02 -0.31 -2.79 0.00 0.00 177.10 174.10 3kf3 s TYR 335 N 1.15 3.08 0.31 0.43 1.51 0.37 -2.38 117.35 121.82 3kf3 s TYR 335 Ca 0.05 -0.37 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 3kf3 s TYR 335 Cb -0.14 -2.11 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 3kf3 s TYR 335 CO 0.04 -0.20 0.14 0.95 -1.11 0.00 0.00 175.55 175.37 3kf3 s THR 336 N 1.02 0.45 -0.04 -0.71 -4.23 -0.53 -4.14 115.64 107.45 3kf3 s THR 336 Ca 0.02 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 3kf3 s THR 336 Cb -0.14 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 3kf3 s THR 336 CO 0.02 0.00 -0.24 -0.76 -0.54 0.00 0.00 174.62 173.10 3kf3 s LEU 337 N -3.41 2.05 0.01 4.79 1.43 -0.37 -0.10 118.68 123.08 3kf3 s LEU 337 Ca 0.34 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3kf3 s LEU 337 Cb 0.05 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 3kf3 s LEU 337 CO 0.17 0.26 -0.03 -0.60 0.23 0.00 0.00 176.35 176.37 3kf3 s ARG 338 N -0.29 0.27 -0.35 1.70 3.52 -0.47 -0.82 118.95 122.51 3kf3 s ARG 338 Ca 0.01 -0.36 -0.29 0.00 -0.13 0.00 0.00 55.73 54.96 3kf3 s ARG 338 Cb -0.12 -0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.18 3kf3 s ARG 338 CO 0.02 0.02 1.22 0.71 -0.81 0.00 0.00 175.30 176.46 3kf3 s TYR 339 N -0.72 2.80 0.10 5.12 1.51 -1.26 -0.30 117.35 124.60 3kf3 s TYR 339 Ca -0.06 0.91 0.07 0.00 -1.01 0.00 0.00 57.07 56.98 3kf3 s TYR 339 Cb -0.05 -3.98 -0.03 0.00 -0.11 0.00 0.00 41.96 37.79 3kf3 s TYR 339 CO -0.00 -1.41 -0.19 0.14 -1.11 0.00 0.00 175.55 172.98 3kf3 s VAL 340 N 4.29 1.57 -0.14 0.71 -7.23 -0.62 -4.90 120.40 114.08 3kf3 s VAL 340 Ca 0.52 -1.49 -0.29 0.00 -1.81 0.00 0.00 61.98 58.91 3kf3 s VAL 340 Cb -0.14 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 3kf3 s VAL 340 CO 0.23 -0.10 1.55 -1.00 -0.31 0.00 0.00 175.10 175.47 3kf3 s HIS 341 N -1.20 2.21 -0.22 2.82 3.76 -1.26 -0.71 115.29 120.69 3kf3 s HIS 341 Ca 0.04 0.50 0.22 0.00 -0.15 0.00 0.00 55.06 55.68 3kf3 s HIS 341 Cb -0.10 -3.85 -0.11 0.00 1.11 0.00 0.00 32.58 29.62 3kf3 s HIS 341 CO 0.04 -3.03 0.84 0.25 -0.85 0.00 0.00 174.74 171.99 3kf3 n THR 342 N 5.82 0.33 -4.18 1.30 -2.24 -0.83 -4.43 114.28 110.06 3kf3 n THR 342 Ca 0.17 -0.48 -0.17 0.00 -2.27 0.00 0.00 64.05 61.30 3kf3 n THR 342 Cb 0.44 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 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 -2.42 -0.95 0.24 3.42 0.23 -1.20 -4.79 115.26 109.79 3kf3 n ASN 343 Ca -0.01 -2.99 0.09 0.00 -0.53 0.00 0.00 54.58 51.14 3kf3 n ASN 343 Cb 0.54 1.97 0.61 0.00 -2.08 0.00 0.00 39.78 40.82 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 2.02 1.35 0.11 -2.53 0.00 -2.02 -3.18 119.26 115.01 3kf3 h ALA 344 Ca -0.24 -0.16 -0.35 0.00 0.00 0.00 0.00 54.91 54.15 3kf3 h ALA 344 Cb 1.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3kf3 h ALA 344 CO 0.34 0.23 -1.94 0.39 0.00 0.00 0.00 179.25 178.26 3kf3 n GLU 345 N -3.81 0.74 -5.22 0.00 -0.58 -1.26 -4.99 120.64 105.52 3kf3 n GLU 345 Ca -0.02 0.27 -0.31 0.00 -0.42 0.00 0.00 57.16 56.68 3kf3 n GLU 345 Cb 0.28 -1.73 -0.17 0.00 -0.57 0.00 0.00 31.44 29.26 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 -2.57 2.02 0.06 2.62 2.01 -1.20 -5.09 115.64 113.49 3kf3 s THR 346 Ca -0.19 -1.02 -0.05 0.00 0.31 0.00 0.00 61.69 60.74 3kf3 s THR 346 Cb 0.07 -1.73 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 3kf3 s THR 346 CO 0.78 0.56 0.29 -0.54 -0.69 0.00 0.00 174.62 175.02 3kf3 s LYS 347 N 0.12 3.57 -0.02 4.92 1.02 -1.26 -1.96 119.74 126.12 3kf3 s LYS 347 Ca -0.12 -0.14 0.05 0.00 0.02 0.00 0.00 55.97 55.78 3kf3 s LYS 347 Cb -0.16 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.14 3kf3 s LYS 347 CO 0.06 0.59 -0.16 -0.65 -0.92 0.00 0.00 175.35 174.27 3kf3 s GLN 348 N -2.16 1.39 -0.16 1.68 -1.52 0.11 -4.90 119.66 114.10 3kf3 s GLN 348 Ca 0.33 -0.55 -0.29 0.00 -1.95 0.00 0.00 55.36 52.89 3kf3 s GLN 348 Cb -0.13 -1.29 -0.04 0.00 -0.22 0.00 0.00 33.01 31.33 3kf3 s GLN 348 CO 0.21 0.30 1.69 -1.17 -0.25 0.00 0.00 175.29 176.06 3kf3 s LEU 349 N -0.21 4.01 -0.00 2.90 0.20 -1.26 -1.59 118.68 122.72 3kf3 s LEU 349 Ca 0.03 1.87 0.04 0.00 0.69 0.00 0.00 54.13 56.75 3kf3 s LEU 349 Cb -0.08 -3.53 -0.01 0.00 -0.43 0.00 0.00 46.19 42.14 3kf3 s LEU 349 CO 0.00 -1.20 -0.13 -0.89 -0.29 0.00 0.00 176.35 173.84 3kf3 s THR 350 N 5.06 1.00 -0.03 3.68 2.01 0.59 -4.92 115.64 123.04 3kf3 s THR 350 Ca 0.75 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 3kf3 s THR 350 Cb -0.29 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 3kf3 s THR 350 CO 0.30 0.23 1.41 -0.22 -0.69 0.00 0.00 174.62 175.64 3kf3 s LEU 351 N -0.45 4.30 -0.03 4.42 2.96 -1.26 -1.37 118.68 127.25 3kf3 s LEU 351 Ca 0.04 2.07 0.03 0.00 -0.22 0.00 0.00 54.13 56.05 3kf3 s LEU 351 Cb -0.05 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 3kf3 s LEU 351 CO -0.00 -0.74 -0.10 -0.63 -1.32 0.00 0.00 176.35 173.56 3kf3 s ILE 352 N 2.70 3.41 -0.04 6.68 1.09 0.85 -4.80 121.20 131.10 3kf3 s ILE 352 Ca 0.64 -0.72 -0.04 0.00 -1.10 0.00 0.00 60.65 59.43 3kf3 s ILE 352 Cb -0.30 -2.41 0.01 0.00 -1.06 0.00 0.00 42.46 38.69 3kf3 s ILE 352 CO 0.25 0.50 0.11 0.00 -0.10 0.00 0.00 174.94 175.70 3kf3 s GLN 353 N -1.05 0.13 0.02 2.79 -2.07 -0.81 -1.46 119.66 117.22 3kf3 s GLN 353 Ca 0.14 0.13 0.01 0.00 -1.82 0.00 0.00 55.36 53.82 3kf3 s GLN 353 Cb -0.11 0.06 -0.02 0.00 -1.09 0.00 0.00 33.01 31.86 3kf3 s GLN 353 CO 0.04 -0.02 -0.05 -0.80 -1.32 0.00 0.00 175.29 173.14 3kf3 s ASN 354 N 0.01 0.47 0.48 12.60 0.01 -1.00 -4.21 114.94 123.30 3kf3 s ASN 354 Ca -0.00 -0.38 -0.21 0.00 -0.71 0.00 0.00 52.86 51.55 3kf3 s ASN 354 Cb -0.01 0.04 -0.08 0.00 0.41 0.00 0.00 41.25 41.61 3kf3 s ASN 354 CO 0.00 -0.17 1.08 -2.16 -1.51 0.00 0.00 177.10 174.34 3kf3 s PRO 355 N -1.08 3.76 -0.41 -0.60 0.04 -1.26 -0.72 135.00 134.73 3kf3 s PRO 355 Ca -0.09 1.49 -0.22 0.00 0.04 0.00 0.00 61.00 62.22 3kf3 s PRO 355 Cb -0.07 -2.19 0.02 0.00 0.04 0.00 0.00 34.50 32.29 3kf3 s PRO 355 CO -0.00 -0.49 0.73 0.08 0.04 0.00 0.00 177.00 177.35 3kf3 s VAL 356 N -1.82 4.75 -0.34 -0.36 1.01 -0.00 -4.81 120.40 118.82 3kf3 s VAL 356 Ca 0.66 0.51 0.00 0.00 0.00 0.00 0.00 61.98 63.15 3kf3 s VAL 356 Cb -0.20 -4.22 0.11 0.00 0.00 0.00 0.00 36.38 32.06 3kf3 s VAL 356 CO 0.25 -0.54 0.13 -0.76 0.00 0.00 0.00 175.10 174.17 3kf3 s LEU 357 N 3.04 2.58 1.06 3.92 1.43 -1.26 -4.72 118.68 124.72 3kf3 s LEU 357 Ca 0.28 -1.94 -0.15 0.00 -1.03 0.00 0.00 54.13 51.29 3kf3 s LEU 357 Cb -0.13 -0.98 0.22 0.00 0.03 0.00 0.00 46.19 45.33 3kf3 s LEU 357 CO 0.19 -0.38 1.12 -2.16 0.23 0.00 0.00 176.35 175.36 3kf3 s PRO 358 N 1.23 -0.04 0.09 1.29 0.04 -1.26 -4.93 135.00 131.41 3kf3 s PRO 358 Ca 0.12 0.20 0.17 0.00 0.04 0.00 0.00 61.00 61.53 3kf3 s PRO 358 Cb -0.19 -1.71 0.72 0.00 0.04 0.00 0.00 34.50 33.36 3kf3 s PRO 358 CO -0.17 -2.98 1.53 -0.25 0.04 0.00 0.00 177.00 175.17 3kf3 n ASP 359 N -4.29 0.22 0.12 6.66 8.00 -1.26 -2.85 116.55 123.15 3kf3 n ASP 359 Ca 0.09 0.56 0.11 0.00 0.71 0.00 0.00 54.79 56.26 3kf3 n ASP 359 Cb 0.59 -0.60 0.48 0.00 -0.02 0.00 0.00 41.12 41.57 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 -1.74 0.61 -4.69 -2.24 3.41 -1.26 -4.60 113.62 103.12 3kf3 n SER 360 Ca 0.03 0.66 -0.42 0.00 -0.26 0.00 0.00 58.87 58.88 3kf3 n SER 360 Cb 0.18 -0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 63.32 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 -3.31 4.57 0.17 -1.33 1.01 -1.13 -4.90 121.20 116.28 3kf3 s ILE 361 Ca 0.04 1.86 -0.21 0.00 0.00 0.00 0.00 60.65 62.35 3kf3 s ILE 361 Cb 0.09 -4.20 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 3kf3 s ILE 361 CO 0.37 -0.00 0.69 0.20 0.00 0.00 0.00 174.94 176.19 3kf3 s ASN 362 N 1.25 7.13 -0.38 3.58 0.02 -0.60 -4.94 114.94 121.00 3kf3 s ASN 362 Ca 0.51 1.41 -0.14 0.00 -1.02 0.00 0.00 52.86 53.62 3kf3 s ASN 362 Cb -0.21 -2.42 0.00 0.00 0.02 0.00 0.00 41.25 38.65 3kf3 s ASN 362 CO 0.19 0.14 0.30 -0.69 0.02 0.00 0.00 177.10 177.06 3kf3 s VAL 363 N -1.32 5.25 -0.08 1.60 1.01 -1.26 -1.40 120.40 124.19 3kf3 s VAL 363 Ca 0.37 -0.39 -0.27 0.00 0.00 0.00 0.00 61.98 61.69 3kf3 s VAL 363 Cb -0.19 -3.84 -0.23 0.00 0.00 0.00 0.00 36.38 32.11 3kf3 s VAL 363 CO 0.22 -0.18 1.01 0.58 0.00 0.00 0.00 175.10 176.73 3kf3 h VAL 364 N 5.58 1.60 -3.33 2.92 2.07 -1.00 -3.49 116.25 120.60 3kf3 h VAL 364 Ca -0.29 -1.77 -0.03 0.00 0.82 0.00 0.00 66.70 65.43 3kf3 h VAL 364 Cb 1.14 2.79 -0.11 0.00 -1.52 0.00 0.00 31.29 33.59 3kf3 h VAL 364 CO 0.69 0.46 0.00 -0.62 0.02 0.00 0.00 177.57 178.13 3kf3 s ASP 365 N -5.97 -0.26 0.02 0.57 3.68 -1.16 -5.00 116.67 108.55 3kf3 s ASP 365 Ca -0.17 -0.44 -0.19 0.00 2.13 0.00 0.00 52.55 53.88 3kf3 s ASP 365 Cb -0.01 0.55 0.04 0.00 -1.45 0.00 0.00 42.92 42.05 3kf3 s ASP 365 CO 0.68 -1.00 0.42 -1.59 0.13 0.00 0.00 175.17 173.81 3kf3 s LYS 366 N -3.86 0.88 -0.08 4.34 -2.85 -1.26 -0.61 119.74 116.30 3kf3 s LYS 366 Ca 0.08 -0.26 0.04 0.00 -1.00 0.00 0.00 55.97 54.83 3kf3 s LYS 366 Cb -0.00 0.39 -0.01 0.00 -2.06 0.00 0.00 37.83 36.15 3kf3 s LYS 366 CO -0.05 -0.29 -0.21 -1.17 0.10 0.00 0.00 175.35 173.73 3kf3 s LEU 367 N -1.77 2.29 -0.06 2.77 0.20 0.99 -5.00 118.68 118.10 3kf3 s LEU 367 Ca -0.08 -0.45 0.03 0.00 0.69 0.00 0.00 54.13 54.32 3kf3 s LEU 367 Cb -0.02 -1.45 0.01 0.00 -0.43 0.00 0.00 46.19 44.30 3kf3 s LEU 367 CO 0.00 0.22 -0.13 -0.75 -0.29 0.00 0.00 176.35 175.40 3kf3 s LYS 368 N -0.00 1.64 0.05 1.98 2.20 -1.26 -0.90 119.74 123.45 3kf3 s LYS 368 Ca -0.07 -0.45 -0.01 0.00 -0.36 0.00 0.00 55.97 55.08 3kf3 s LYS 368 Cb -0.15 -1.38 -0.04 0.00 -1.51 0.00 0.00 37.83 34.75 3kf3 s LYS 368 CO 0.05 0.09 -0.03 0.15 -0.36 0.00 0.00 175.35 175.25 3kf3 s LYS 369 N 0.45 0.61 -0.07 4.03 1.02 -0.08 -5.01 119.74 120.68 3kf3 s LYS 369 Ca -0.11 -1.20 -0.03 0.00 0.02 0.00 0.00 55.97 54.65 3kf3 s LYS 369 Cb -0.14 0.19 0.04 0.00 -0.52 0.00 0.00 37.83 37.40 3kf3 s LYS 369 CO 0.03 -0.10 0.16 0.21 -0.92 0.00 0.00 175.35 174.73 3kf3 s LYS 370 N -3.81 0.11 -1.41 1.68 2.20 -1.26 -0.95 119.74 116.29 3kf3 s LYS 370 Ca 0.06 0.40 -0.02 0.00 -0.36 0.00 0.00 55.97 56.06 3kf3 s LYS 370 Cb 0.07 -0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.22 3kf3 s LYS 370 CO -0.09 -0.17 0.38 0.09 -0.36 0.00 0.00 175.35 175.19 3kf3 n ASN 371 N 4.26 -0.43 -4.65 1.43 4.13 -0.62 -4.93 115.26 114.45 3kf3 n ASN 371 Ca -0.26 -1.05 -0.39 0.00 1.68 0.00 0.00 54.58 54.56 3kf3 n ASN 371 Cb 0.52 -2.83 -0.07 0.00 -1.54 0.00 0.00 39.78 35.85 3kf3 n ASN 371 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3kf3 s VAL 372 N -3.99 5.15 -0.84 2.41 -7.23 -0.12 -4.88 120.40 110.90 3kf3 s VAL 372 Ca 0.03 0.78 -0.22 0.00 -1.81 0.00 0.00 61.98 60.76 3kf3 s VAL 372 Cb -0.01 -3.77 0.07 0.00 0.56 0.00 0.00 36.38 33.23 3kf3 s VAL 372 CO 0.90 0.20 1.19 -0.54 -0.31 0.00 0.00 175.10 176.54 3kf3 s LYS 373 N 1.60 3.38 0.17 4.82 -0.14 -1.26 -0.18 119.74 128.13 3kf3 s LYS 373 Ca 0.20 -1.05 -0.32 0.00 -1.36 0.00 0.00 55.97 53.45 3kf3 s LYS 373 Cb -0.15 -4.69 -0.10 0.00 -1.68 0.00 0.00 37.83 31.21 3kf3 s LYS 373 CO 0.09 -1.96 1.58 -0.51 -0.76 0.00 0.00 175.35 173.78 3kf3 s LEU 374 N 4.22 4.37 0.22 3.17 1.43 -0.68 -4.83 118.68 126.59 3kf3 s LEU 374 Ca 0.33 2.65 -0.00 0.00 -1.03 0.00 0.00 54.13 56.08 3kf3 s LEU 374 Cb -0.08 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 3kf3 s LEU 374 CO 0.01 -0.83 0.17 0.42 0.23 0.00 0.00 176.35 176.34 3kf3 s THR 375 N 1.08 0.00 0.61 5.49 -4.23 -1.26 -4.07 115.64 113.26 3kf3 s THR 375 Ca 0.70 -1.98 0.33 0.00 -1.18 0.00 0.00 61.69 59.56 3kf3 s THR 375 Cb -0.44 -2.49 0.38 0.00 1.34 0.00 0.00 72.50 71.28 3kf3 s THR 375 CO 0.32 0.00 2.28 -0.55 -0.54 0.00 0.00 174.62 176.13 3kf3 h ASN 376 N 2.53 0.00 -0.67 3.99 -1.07 -0.79 -1.54 115.58 118.03 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 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 3kf3 h ASN 376 CO 0.50 0.00 0.00 0.29 0.07 0.00 0.00 177.43 178.29 3kf3 n LYS 377 N -3.67 3.46 -2.73 4.14 5.02 -1.26 -4.51 118.16 118.61 3kf3 n LYS 377 Ca -0.03 -2.80 -0.13 0.00 -2.02 0.00 0.00 58.31 53.34 3kf3 n LYS 377 Cb 0.09 -1.81 0.02 0.00 -0.02 0.00 0.00 35.03 33.30 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 1.27 1.42 -2.25 1.97 5.02 -0.58 -5.12 118.16 119.89 3kf3 n LYS 378 Ca 0.25 -3.45 -0.34 0.00 -2.02 0.00 0.00 58.31 52.75 3kf3 n LYS 378 Cb 0.82 -1.45 -0.00 0.00 -0.02 0.00 0.00 35.03 34.38 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 -3.07 3.40 -0.11 1.97 0.04 -1.25 -4.40 135.00 131.58 3kf3 s PRO 379 Ca 0.32 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 62.64 3kf3 s PRO 379 Cb 0.43 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.91 3kf3 s PRO 379 CO -0.01 -0.78 0.55 0.42 0.04 0.00 0.00 177.00 177.22 3kf3 s ILE 380 N -1.96 5.13 -0.06 0.56 -1.09 -0.33 -4.96 121.20 118.50 3kf3 s ILE 380 Ca 0.70 1.11 -0.02 0.00 -2.23 0.00 0.00 60.65 60.21 3kf3 s ILE 380 Cb -0.21 -3.89 0.03 0.00 -1.58 0.00 0.00 42.46 36.81 3kf3 s ILE 380 CO 0.28 0.28 0.03 -0.54 -1.23 0.00 0.00 174.94 173.76 3kf3 s LYS 381 N 0.80 0.28 0.29 2.79 1.02 -1.26 -0.66 119.74 123.00 3kf3 s LYS 381 Ca 0.29 0.24 -0.29 0.00 0.02 0.00 0.00 55.97 56.23 3kf3 s LYS 381 Cb -0.16 -0.75 -0.10 0.00 -0.52 0.00 0.00 37.83 36.30 3kf3 s LYS 381 CO 0.12 -0.31 1.30 0.99 -0.92 0.00 0.00 175.35 176.53 3kf3 s THR 382 N 2.06 2.90 -0.39 2.17 2.01 -0.26 -5.00 115.64 119.13 3kf3 s THR 382 Ca 0.05 0.84 0.09 0.00 0.31 0.00 0.00 61.69 62.98 3kf3 s THR 382 Cb -0.12 -3.53 0.27 0.00 0.01 0.00 0.00 72.50 69.13 3kf3 s THR 382 CO -0.04 0.17 0.57 -3.20 -0.69 0.00 0.00 174.62 171.44 3kf3 n ASN 383 N 1.46 0.24 -4.91 3.53 5.15 -1.26 -4.65 115.26 114.81 3kf3 n ASN 383 Ca 0.02 -2.77 -0.27 0.00 -0.60 0.00 0.00 54.58 50.96 3kf3 n ASN 383 Cb 0.42 -0.57 0.02 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 -1.40 3.36 -0.00 1.20 0.08 -1.26 -5.03 117.98 114.93 3kf3 s PHE 384 Ca 0.36 0.74 -0.24 0.00 0.12 0.00 0.00 56.93 57.91 3kf3 s PHE 384 Cb 0.21 -2.64 -0.17 0.00 -0.57 0.00 0.00 43.02 39.85 3kf3 s PHE 384 CO -0.11 -0.69 1.21 -0.22 -0.10 0.00 0.00 175.22 175.31 3kf3 h LYS 385 N -0.10 -0.25 0.00 0.44 3.64 -2.00 -3.47 116.57 114.83 3kf3 h LYS 385 Ca -0.46 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3kf3 h LYS 385 Cb 1.24 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3kf3 h LYS 385 CO 0.61 0.11 0.00 0.41 -2.27 0.00 0.00 179.45 178.31 3kf3 n GLY 386 N -0.07 5.63 3.44 5.01 0.00 -1.26 -5.18 105.19 112.77 3kf3 n GLY 386 Ca -0.09 -1.60 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 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 1.00 -0.66 0.00 1.61 0.15 -1.26 -5.00 113.70 109.54 3kf3 s SER 387 Ca 0.00 1.15 0.26 0.00 0.70 0.00 0.00 55.95 58.06 3kf3 s SER 387 Cb 0.00 1.08 0.52 0.00 -1.71 0.00 0.00 66.02 65.91 3kf3 s SER 387 CO 0.00 -0.21 1.45 0.35 1.20 0.00 0.00 173.24 176.03 3kf3 n THR 388 N 3.74 0.00 -0.94 6.45 -2.24 -1.26 -4.96 114.28 115.06 3kf3 n THR 388 Ca -0.19 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3kf3 n THR 388 Cb 0.57 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 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 1.28 0.69 3.15 3.38 0.00 -1.25 -4.92 105.19 107.52 3kf3 n GLY 389 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 3.00 0.05 0.99 2.96 -1.26 -1.60 118.68 122.83 3kf3 s LEU 390 Ca 0.00 -0.94 0.02 0.00 -0.22 0.00 0.00 54.13 52.99 3kf3 s LEU 390 Cb 0.00 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 3kf3 s LEU 390 CO 0.00 -0.11 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.48 3kf3 s PHE 391 N 1.27 0.73 0.17 5.38 0.40 -0.31 -0.45 117.98 125.17 3kf3 s PHE 391 Ca -0.01 -0.58 0.06 0.00 -0.60 0.00 0.00 56.93 55.81 3kf3 s PHE 391 Cb -0.17 -0.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.89 3kf3 s PHE 391 CO -0.07 -0.09 -0.13 0.16 0.70 0.00 0.00 175.22 175.79 3kf3 s ASP 392 N -1.88 2.22 0.00 1.36 -4.77 -0.72 0.08 116.67 112.97 3kf3 s ASP 392 Ca -0.05 -0.97 0.00 0.00 -3.30 0.00 0.00 52.55 48.23 3kf3 s ASP 392 Cb -0.07 -0.08 -0.00 0.00 -1.09 0.00 0.00 42.92 41.67 3kf3 s ASP 392 CO -0.01 -0.21 -0.01 0.72 0.70 0.00 0.00 175.17 176.36 3kf3 s PHE 393 N -2.89 0.12 -0.17 2.11 -0.12 -0.28 -1.24 117.98 115.53 3kf3 s PHE 393 Ca 0.18 -0.10 -0.03 0.00 -0.05 0.00 0.00 56.93 56.92 3kf3 s PHE 393 Cb -0.01 -0.08 0.06 0.00 -0.63 0.00 0.00 43.02 42.36 3kf3 s PHE 393 CO 0.04 -0.03 0.05 1.21 -0.05 0.00 0.00 175.22 176.44 3kf3 s ASN 394 N -0.27 2.53 -0.08 1.98 3.84 -0.32 -1.18 114.94 121.44 3kf3 s ASN 394 Ca -0.02 -0.64 0.02 0.00 0.21 0.00 0.00 52.86 52.42 3kf3 s ASN 394 Cb -0.02 -0.46 0.01 0.00 -0.55 0.00 0.00 41.25 40.23 3kf3 s ASN 394 CO -0.00 -0.30 -0.12 -0.63 -2.79 0.00 0.00 177.10 173.26 3kf3 s ILE 395 N 1.96 1.17 -0.17 -5.21 1.01 0.10 -1.27 121.20 118.78 3kf3 s ILE 395 Ca 0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 3kf3 s ILE 395 Cb -0.16 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 3kf3 s ILE 395 CO -0.08 0.37 -0.02 -0.89 0.00 0.00 0.00 174.94 174.32 3kf3 s THR 396 N 0.85 3.95 0.06 2.92 2.01 -0.53 -0.46 115.64 124.44 3kf3 s THR 396 Ca -0.11 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.57 3kf3 s THR 396 Cb -0.15 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 3kf3 s THR 396 CO 0.01 0.47 -0.06 0.72 -0.69 0.00 0.00 174.62 175.08 3kf3 s PHE 397 N 0.57 0.68 0.01 4.92 -0.12 -0.19 -0.44 117.98 123.41 3kf3 s PHE 397 Ca -0.02 -0.81 0.08 0.00 -0.05 0.00 0.00 56.93 56.13 3kf3 s PHE 397 Cb -0.14 -0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 41.80 3kf3 s PHE 397 CO 0.02 -0.19 -0.26 0.15 -0.05 0.00 0.00 175.22 174.89 3kf3 s LYS 398 N -3.06 1.95 -0.29 1.99 1.02 0.68 -1.01 119.74 121.02 3kf3 s LYS 398 Ca 0.02 -0.98 -0.17 0.00 0.02 0.00 0.00 55.97 54.86 3kf3 s LYS 398 Cb 0.01 -1.98 -0.02 0.00 -0.52 0.00 0.00 37.83 35.32 3kf3 s LYS 398 CO -0.04 0.53 0.48 0.08 -0.92 0.00 0.00 175.35 175.48 3kf3 s VAL 399 N -0.68 5.08 0.61 3.17 1.01 -0.22 -1.35 120.40 128.03 3kf3 s VAL 399 Ca 0.10 0.66 -0.09 0.00 0.00 0.00 0.00 61.98 62.66 3kf3 s VAL 399 Cb -0.10 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 3kf3 s VAL 399 CO 0.00 0.02 0.98 -0.76 0.00 0.00 0.00 175.10 175.34 3kf3 s LEU 400 N 2.28 3.20 -1.02 3.92 1.02 0.99 -3.95 118.68 125.13 3kf3 s LEU 400 Ca 0.19 1.09 -0.20 0.00 0.02 0.00 0.00 54.13 55.22 3kf3 s LEU 400 Cb -0.16 -3.99 0.09 0.00 0.02 0.00 0.00 46.19 42.15 3kf3 s LEU 400 CO 0.10 -1.00 1.34 0.20 0.02 0.00 0.00 176.35 177.01 3kf3 s ASN 401 N -4.25 6.61 -0.03 2.29 -0.87 -1.26 -4.92 114.94 112.51 3kf3 s ASN 401 Ca 0.54 -1.86 -0.01 0.00 -1.57 0.00 0.00 52.86 49.96 3kf3 s ASN 401 Cb -0.11 -2.49 0.03 0.00 -0.02 0.00 0.00 41.25 38.66 3kf3 s ASN 401 CO 0.50 -1.26 0.06 -0.22 -2.57 0.00 0.00 177.10 173.61 3kf3 s LEU 402 N 3.79 0.90 -0.26 0.60 2.96 -1.26 -5.11 118.68 120.30 3kf3 s LEU 402 Ca 0.41 0.10 -0.23 0.00 -0.22 0.00 0.00 54.13 54.20 3kf3 s LEU 402 Cb -0.02 0.02 -0.01 0.00 0.50 0.00 0.00 46.19 46.69 3kf3 s LEU 402 CO -0.08 -0.15 0.75 0.20 -1.32 0.00 0.00 176.35 175.75 3kf3 s ASN 403 N 1.21 6.71 0.11 3.68 0.01 -1.26 -4.99 114.94 120.41 3kf3 s ASN 403 Ca -0.08 0.85 0.06 0.00 -0.71 0.00 0.00 52.86 52.98 3kf3 s ASN 403 Cb -0.13 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 3kf3 s ASN 403 CO -0.04 -0.48 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.25 3kf3 s VAL 404 N 2.73 1.25 0.56 1.60 1.01 -1.26 -5.13 120.40 121.17 3kf3 s VAL 404 Ca 0.31 -1.65 -0.20 0.00 0.00 0.00 0.00 61.98 60.44 3kf3 s VAL 404 Cb -0.15 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3kf3 s VAL 404 CO 0.08 -0.41 1.23 -0.94 0.00 0.00 0.00 175.10 175.07 3kf3 s SER 405 N -2.35 5.35 0.56 3.32 1.04 -1.26 -4.85 113.70 115.50 3kf3 s SER 405 Ca 0.07 2.45 0.24 0.00 0.48 0.00 0.00 55.95 59.19 3kf3 s SER 405 Cb -0.05 -2.61 1.56 0.00 0.10 0.00 0.00 66.02 65.02 3kf3 s SER 405 CO 0.03 -1.49 2.17 -0.65 0.98 0.00 0.00 173.24 174.28 3kf3 h PRO 406 N 1.16 0.00 0.00 4.02 0.11 -2.02 0.98 132.00 136.26 3kf3 h PRO 406 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kf3 h PRO 406 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kf3 h PRO 406 CO 0.56 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.76 3kf3 n GLY 407 N -1.44 -0.89 0.00 -0.55 0.00 -1.26 -3.74 105.19 97.31 3kf3 n GLY 407 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.14 1.51 -0.70 1.61 5.02 0.34 -4.81 118.16 120.00 3kf3 n LYS 408 Ca 0.15 -1.10 -0.06 0.00 -2.02 0.00 0.00 58.31 55.28 3kf3 n LYS 408 Cb 0.13 -0.97 -0.08 0.00 -0.02 0.00 0.00 35.03 34.09 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 -0.31 2.30 -3.59 -0.18 -2.24 -1.24 -4.54 114.28 104.48 3kf3 n THR 409 Ca 0.00 -0.94 -0.11 0.00 -2.27 0.00 0.00 64.05 60.73 3kf3 n THR 409 Cb 0.18 -1.72 -0.04 0.00 -2.10 0.00 0.00 70.33 66.65 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 0.72 -0.27 0.14 4.78 -3.43 -1.26 -0.47 115.29 115.50 3kf3 s HIS 410 Ca 0.32 -0.02 0.04 0.00 -0.80 0.00 0.00 55.06 54.61 3kf3 s HIS 410 Cb 0.16 0.32 -0.04 0.00 -1.43 0.00 0.00 32.58 31.58 3kf3 s HIS 410 CO 0.00 -0.73 -0.10 -0.59 -2.00 0.00 0.00 174.74 171.32 3kf3 s PHE 411 N -3.77 1.21 -0.02 0.38 -0.12 -0.90 -4.43 117.98 110.33 3kf3 s PHE 411 Ca 0.02 -0.77 0.01 0.00 -0.05 0.00 0.00 56.93 56.14 3kf3 s PHE 411 Cb 0.01 -0.62 0.00 0.00 -0.63 0.00 0.00 43.02 41.78 3kf3 s PHE 411 CO -0.12 0.05 -0.05 -0.51 -0.05 0.00 0.00 175.22 174.54 3kf3 s ASP 412 N -3.12 0.69 -0.31 1.98 1.11 0.36 -1.96 116.67 115.42 3kf3 s ASP 412 Ca 0.15 -0.10 -0.12 0.00 0.18 0.00 0.00 52.55 52.67 3kf3 s ASP 412 Cb 0.03 -0.17 -0.03 0.00 1.07 0.00 0.00 42.92 43.81 3kf3 s ASP 412 CO -0.00 0.02 0.22 -0.63 1.18 0.00 0.00 175.17 175.96 3kf3 s ILE 413 N 0.22 5.30 -0.22 0.77 1.01 0.27 -0.81 121.20 127.73 3kf3 s ILE 413 Ca -0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 3kf3 s ILE 413 Cb -0.06 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 3kf3 s ILE 413 CO -0.00 0.11 0.10 -0.76 0.00 0.00 0.00 174.94 174.39 3kf3 s LEU 414 N 1.74 3.80 -0.41 2.97 1.43 0.91 -0.69 118.68 128.42 3kf3 s LEU 414 Ca 0.07 -0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 3kf3 s LEU 414 Cb -0.17 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.10 3kf3 s LEU 414 CO 0.11 0.07 0.26 -0.63 0.23 0.00 0.00 176.35 176.39 3kf3 s ILE 415 N 1.02 4.67 -0.07 -0.59 1.01 -0.23 -1.30 121.20 125.70 3kf3 s ILE 415 Ca 0.05 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 3kf3 s ILE 415 Cb -0.14 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3kf3 s ILE 415 CO 0.03 -0.38 0.03 0.20 0.00 0.00 0.00 174.94 174.83 3kf3 s ASN 416 N 1.90 5.47 1.03 3.58 0.01 -0.08 -1.88 114.94 124.97 3kf3 s ASN 416 Ca 0.03 0.18 -0.17 0.00 -0.71 0.00 0.00 52.86 52.20 3kf3 s ASN 416 Cb -0.21 -1.58 0.22 0.00 0.41 0.00 0.00 41.25 40.09 3kf3 s ASN 416 CO 0.06 0.36 1.23 -0.94 -1.51 0.00 0.00 177.10 176.30 3kf3 s SER 417 N -1.08 2.50 0.65 -1.22 1.04 0.70 -0.20 113.70 116.10 3kf3 s SER 417 Ca 0.15 0.47 -0.15 0.00 0.48 0.00 0.00 55.95 56.90 3kf3 s SER 417 Cb -0.12 -0.64 -0.00 0.00 0.10 0.00 0.00 66.02 65.36 3kf3 s SER 417 CO 0.05 -3.13 1.10 0.00 0.98 0.00 0.00 173.24 172.24 3kf3 s GLN 418 N -5.67 2.86 -0.28 4.02 0.00 -1.20 -4.57 119.66 114.82 3kf3 s GLN 418 Ca 0.72 1.35 -0.29 0.00 -0.00 0.00 0.00 55.36 57.14 3kf3 s GLN 418 Cb -0.07 -1.96 0.00 0.00 0.00 0.00 0.00 33.01 30.98 3kf3 s GLN 418 CO 0.54 -1.20 1.26 -2.00 0.00 0.00 0.00 175.29 173.89 3kf3 s GLU 419 N -4.13 4.00 0.00 9.60 2.12 -1.26 -4.60 118.70 124.43 3kf3 s GLU 419 Ca 0.66 1.31 0.00 0.00 0.36 0.00 0.00 54.97 57.30 3kf3 s GLU 419 Cb -0.20 -3.84 0.00 0.00 0.26 0.00 0.00 34.13 30.36 3kf3 s GLU 419 CO 0.42 -1.01 0.00 1.28 -0.54 0.00 0.00 175.26 175.41 3kf3 n LEU 420 N 7.33 0.00 -3.60 2.70 4.77 -0.98 -4.81 117.00 122.41 3kf3 n LEU 420 Ca 0.14 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.70 3kf3 n LEU 420 Cb 0.46 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 3kf3 n LEU 420 CO 0.61 0.00 2.14 0.59 -1.33 0.00 0.00 177.39 179.40 3kf3 n ASN 421 N 0.00 2.66 -2.34 -1.43 3.02 -1.26 -4.23 115.26 111.68 3kf3 n ASN 421 Ca 0.00 -2.66 -0.13 0.00 -0.03 0.00 0.00 54.58 51.76 3kf3 n ASN 421 Cb 0.00 -1.12 -0.01 0.00 -0.61 0.00 0.00 39.78 38.04 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 7.26 -4.05 -3.93 6.41 3.41 -1.26 -4.99 113.62 116.47 3kf3 n SER 422 Ca 0.49 0.19 -0.12 0.00 -0.26 0.00 0.00 58.87 59.17 3kf3 n SER 422 Cb 0.39 -3.46 -0.13 0.00 -0.26 0.00 0.00 64.21 60.75 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 -2.04 0.22 -0.17 4.04 1.04 -1.26 -5.12 113.70 110.41 3kf3 s SER 423 Ca 0.00 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3kf3 s SER 423 Cb 0.00 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.14 3kf3 s SER 423 CO 0.00 -0.08 -0.17 -0.69 0.98 0.00 0.00 173.24 173.28 3kf3 s VAL 424 N -0.49 2.47 0.09 5.02 1.01 -1.26 -2.32 120.40 124.91 3kf3 s VAL 424 Ca -0.04 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 3kf3 s VAL 424 Cb -0.04 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.24 3kf3 s VAL 424 CO -0.00 0.52 0.45 -1.81 0.00 0.00 0.00 175.10 174.26 3kf3 s ASP 425 N 1.03 6.74 0.03 3.32 1.01 -1.26 -4.92 116.67 122.61 3kf3 s ASP 425 Ca -0.01 0.92 -0.06 0.00 0.71 0.00 0.00 52.55 54.10 3kf3 s ASP 425 Cb -0.15 -2.23 -0.01 0.00 1.01 0.00 0.00 42.92 41.55 3kf3 s ASP 425 CO -0.04 0.18 0.12 -0.94 0.21 0.00 0.00 175.17 174.69 3kf3 s SER 426 N -1.61 0.11 0.19 0.27 1.04 -1.26 -0.21 113.70 112.23 3kf3 s SER 426 Ca 0.33 -0.41 0.11 0.00 0.48 0.00 0.00 55.95 56.46 3kf3 s SER 426 Cb -0.15 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 3kf3 s SER 426 CO 0.18 -0.46 -0.24 0.27 0.98 0.00 0.00 173.24 173.96 3kf3 s ILE 427 N -2.16 2.31 -0.06 -1.02 -4.36 -0.79 -4.70 121.20 110.42 3kf3 s ILE 427 Ca -0.09 -2.01 0.04 0.00 -0.26 0.00 0.00 60.65 58.34 3kf3 s ILE 427 Cb -0.04 -2.10 -0.00 0.00 1.25 0.00 0.00 42.46 41.58 3kf3 s ILE 427 CO -0.02 -0.12 -0.20 -0.75 0.24 0.00 0.00 174.94 174.09 3kf3 s LYS 428 N -2.64 2.24 -0.12 0.37 2.20 -0.66 -1.07 119.74 120.06 3kf3 s LYS 428 Ca 0.20 -0.70 0.03 0.00 -0.36 0.00 0.00 55.97 55.13 3kf3 s LYS 428 Cb -0.08 -1.84 0.01 0.00 -1.51 0.00 0.00 37.83 34.41 3kf3 s LYS 428 CO 0.09 0.22 -0.21 0.42 -0.36 0.00 0.00 175.35 175.51 3kf3 s ILE 429 N 0.17 1.93 0.33 5.43 1.09 0.13 -0.30 121.20 129.98 3kf3 s ILE 429 Ca -0.09 -0.92 0.07 0.00 -1.10 0.00 0.00 60.65 58.61 3kf3 s ILE 429 Cb -0.14 -1.70 -0.03 0.00 -1.06 0.00 0.00 42.46 39.52 3kf3 s ILE 429 CO 0.04 0.53 0.27 -0.83 -0.10 0.00 0.00 174.94 174.85 3kf3 s GLY 430 N 0.68 2.33 -0.01 6.18 0.00 0.36 0.95 107.32 117.81 3kf3 s GLY 430 Ca -0.11 -2.05 -0.00 0.00 0.00 0.00 0.00 44.72 42.56 3kf3 s GLY 430 CO 0.02 -1.48 0.03 -0.12 0.00 0.00 0.00 173.10 171.54 3kf3 s PHE 431 N -3.46 -0.00 -0.21 1.90 5.36 -0.83 -0.65 117.98 120.09 3kf3 s PHE 431 Ca 0.40 0.10 -0.03 0.00 -0.96 0.00 0.00 56.93 56.44 3kf3 s PHE 431 Cb 0.02 -0.10 -0.00 0.00 -0.34 0.00 0.00 43.02 42.60 3kf3 s PHE 431 CO 0.27 -0.05 -0.07 0.34 -1.46 0.00 0.00 175.22 174.25 3kf3 s ASP 432 N 0.51 4.11 0.33 6.13 -1.08 -0.60 -2.11 116.67 123.95 3kf3 s ASP 432 Ca -0.04 -0.43 0.11 0.00 -0.52 0.00 0.00 52.55 51.67 3kf3 s ASP 432 Cb -0.06 -1.70 0.58 0.00 -1.46 0.00 0.00 42.92 40.28 3kf3 s ASP 432 CO -0.02 -0.02 1.75 0.77 0.52 0.00 0.00 175.17 178.17 3kf3 h SER 433 N 8.08 0.02 0.29 -0.34 4.64 -1.09 -0.64 113.55 124.52 3kf3 h SER 433 Ca -0.42 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 60.81 3kf3 h SER 433 Cb 1.16 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 3kf3 h SER 433 CO 0.61 0.48 -0.34 0.77 -0.87 0.00 0.00 176.83 177.47 3kf3 h SER 434 N 0.02 0.09 -0.01 4.97 4.64 -1.96 -3.17 113.55 118.13 3kf3 h SER 434 Ca -0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3kf3 h SER 434 Cb 0.81 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3kf3 h SER 434 CO 0.06 0.43 -0.69 0.00 -0.87 0.00 0.00 176.83 175.76 3kf3 n GLN 435 N -4.11 0.88 -4.12 4.77 1.13 -1.11 -4.99 117.38 109.84 3kf3 n GLN 435 Ca -0.02 -0.49 -0.34 0.00 -1.94 0.00 0.00 57.00 54.22 3kf3 n GLN 435 Cb 0.40 -1.44 -0.01 0.00 0.11 0.00 0.00 30.24 29.30 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 -0.74 -3.28 -3.91 1.08 2.88 -0.26 -4.85 113.62 104.52 3kf3 n SER 436 Ca 0.06 -0.96 -0.17 0.00 -1.33 0.00 0.00 58.87 56.48 3kf3 n SER 436 Cb 0.38 -3.07 -0.15 0.00 -0.75 0.00 0.00 64.21 60.62 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 -3.44 0.65 0.64 -3.46 0.01 -1.14 -1.89 113.70 105.06 3kf3 s SER 437 Ca 0.63 -0.09 -0.11 0.00 1.31 0.00 0.00 55.95 57.69 3kf3 s SER 437 Cb -0.34 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.68 3kf3 s SER 437 CO 0.90 0.00 1.04 -0.36 0.41 0.00 0.00 173.24 175.23 3kf3 s PHE 438 N 0.35 3.54 0.05 2.43 0.40 -0.08 -1.56 117.98 123.10 3kf3 s PHE 438 Ca -0.04 1.20 -0.12 0.00 -0.60 0.00 0.00 56.93 57.37 3kf3 s PHE 438 Cb -0.07 -2.81 0.01 0.00 0.51 0.00 0.00 43.02 40.66 3kf3 s PHE 438 CO -0.00 -0.82 0.25 1.52 0.70 0.00 0.00 175.22 176.87 3kf3 s TYR 439 N -3.22 -0.03 0.10 0.36 -0.85 0.18 -1.12 117.35 112.78 3kf3 s TYR 439 Ca 0.56 -0.17 0.10 0.00 -0.52 0.00 0.00 57.07 57.04 3kf3 s TYR 439 Cb -0.11 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 3kf3 s TYR 439 CO 0.53 -0.48 -0.26 -1.50 -1.52 0.00 0.00 175.55 172.32 3kf3 s ILE 440 N -2.68 2.27 -0.28 -3.49 2.07 -0.24 -0.48 121.20 118.36 3kf3 s ILE 440 Ca -0.04 -1.62 -0.01 0.00 -1.41 0.00 0.00 60.65 57.57 3kf3 s ILE 440 Cb -0.00 -1.97 0.09 0.00 0.13 0.00 0.00 42.46 40.70 3kf3 s ILE 440 CO -0.04 0.18 0.06 -0.62 -1.91 0.00 0.00 174.94 172.60 3kf3 s ASP 441 N -1.81 3.83 -0.07 4.50 -1.08 0.59 -2.51 116.67 120.13 3kf3 s ASP 441 Ca 0.14 -1.43 0.14 0.00 -0.52 0.00 0.00 52.55 50.87 3kf3 s ASP 441 Cb -0.10 -0.92 0.52 0.00 -1.46 0.00 0.00 42.92 40.96 3kf3 s ASP 441 CO 0.05 -0.36 1.40 -2.11 0.52 0.00 0.00 175.17 174.67 3kf3 n ARG 442 N 4.81 2.87 -1.84 4.34 1.85 -0.51 -1.66 116.66 126.52 3kf3 n ARG 442 Ca -0.05 -2.06 -0.42 0.00 -1.00 0.00 0.00 57.85 54.32 3kf3 n ARG 442 Cb 0.43 -1.67 -0.03 0.00 -1.05 0.00 0.00 32.46 30.14 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 -1.68 2.69 -0.15 2.89 2.46 -1.26 -4.81 115.29 115.43 3kf3 s HIS 443 Ca 0.37 0.36 -0.01 0.00 0.47 0.00 0.00 55.06 56.25 3kf3 s HIS 443 Cb 0.23 -4.04 0.04 0.00 -0.13 0.00 0.00 32.58 28.68 3kf3 s HIS 443 CO 0.19 -4.02 -0.05 0.42 -2.47 0.00 0.00 174.74 168.81 3kf3 s ILE 444 N 1.83 1.01 0.67 0.89 1.01 -1.26 -4.77 121.20 120.57 3kf3 s ILE 444 Ca 0.74 -0.51 -0.15 0.00 0.00 0.00 0.00 60.65 60.73 3kf3 s ILE 444 Cb -0.45 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 40.85 3kf3 s ILE 444 CO 0.33 0.16 1.14 -2.16 0.00 0.00 0.00 174.94 174.41 3kf3 s PRO 445 N 1.68 2.67 0.00 2.79 0.04 -1.26 -3.79 135.00 137.13 3kf3 s PRO 445 Ca 0.02 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.56 3kf3 s PRO 445 Cb -0.15 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3kf3 s PRO 445 CO -0.08 -1.38 0.00 0.09 0.04 0.00 0.00 177.00 175.68 3kf3 n ASN 446 N -2.41 0.00 -4.59 6.66 3.02 -1.26 -4.91 115.26 111.77 3kf3 n ASN 446 Ca 0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.25 3kf3 n ASN 446 Cb 0.51 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.63 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 -1.48 4.84 0.02 2.41 1.01 -1.25 -5.04 120.40 120.92 3kf3 s VAL 447 Ca 0.00 0.83 0.09 0.00 0.00 0.00 0.00 61.98 62.89 3kf3 s VAL 447 Cb 0.00 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3kf3 s VAL 447 CO 0.00 -0.30 -0.25 -1.61 0.00 0.00 0.00 175.10 172.94 3kf3 s GLU 448 N 2.83 1.94 0.08 2.72 8.01 -1.26 -5.00 118.70 128.02 3kf3 s GLU 448 Ca 0.28 -1.03 -0.12 0.00 0.01 0.00 0.00 54.97 54.10 3kf3 s GLU 448 Cb -0.14 -2.03 0.02 0.00 -4.31 0.00 0.00 34.13 27.67 3kf3 s GLU 448 CO 0.14 0.53 0.28 -0.59 0.01 0.00 0.00 175.26 175.64 3kf3 s PHE 449 N -0.75 -0.03 0.47 1.61 -0.71 -1.26 -5.00 117.98 112.31 3kf3 s PHE 449 Ca 0.11 -0.26 -0.23 0.00 -1.04 0.00 0.00 56.93 55.51 3kf3 s PHE 449 Cb -0.10 0.08 -0.09 0.00 -1.21 0.00 0.00 43.02 41.70 3kf3 s PHE 449 CO 0.01 -0.57 1.10 -2.30 -1.34 0.00 0.00 175.22 172.13 3kf3 n PRO 450 N 0.15 1.45 -1.67 1.99 -0.02 -1.26 -2.80 135.00 132.84 3kf3 n PRO 450 Ca -0.17 0.53 -0.15 0.00 -2.02 0.00 0.00 63.50 61.69 3kf3 n PRO 450 Cb 0.62 -2.21 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 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 -0.21 -1.05 0.00 -0.52 1.74 -1.26 -4.81 116.66 110.54 3kf3 n ARG 451 Ca 0.09 0.92 0.09 0.00 -0.77 0.00 0.00 57.85 58.19 3kf3 n ARG 451 Cb 0.41 -5.09 0.46 0.00 -1.02 0.00 0.00 32.46 27.22 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 -2.53 0.17 0.29 5.56 4.81 -1.12 -2.14 118.16 123.21 3kf3 n LYS 452 Ca -0.15 0.13 0.15 0.00 -0.87 0.00 0.00 58.31 57.57 3kf3 n LYS 452 Cb 0.52 -1.50 0.90 0.00 0.02 0.00 0.00 35.03 34.97 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 -0.01 1.64 7.50 -1.90 -2.27 115.11 120.08 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 0.24 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.77 3kf3 h GLN 453 CO 0.00 0.03 -0.69 1.19 -1.50 0.00 0.00 178.83 177.86 3kf3 n PHE 454 N -3.70 0.00 -2.66 2.96 3.01 -0.91 -4.76 117.46 111.41 3kf3 n PHE 454 Ca -0.03 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.01 3kf3 n PHE 454 Cb 0.12 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 39.57 3kf3 n PHE 454 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 3kf3 s PHE 455 N -2.71 2.85 0.24 1.38 5.36 -0.85 -4.97 117.98 119.27 3kf3 s PHE 455 Ca 0.14 -1.48 -0.31 0.00 -0.96 0.00 0.00 56.93 54.32 3kf3 s PHE 455 Cb 0.17 -4.64 -0.12 0.00 -0.34 0.00 0.00 43.02 38.10 3kf3 s PHE 455 CO 0.70 -1.76 1.67 0.99 -1.46 0.00 0.00 175.22 175.36 3kf3 s THR 456 N 3.91 2.08 -0.16 0.12 2.01 -1.26 -4.93 115.64 117.41 3kf3 s THR 456 Ca 0.49 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.61 3kf3 s THR 456 Cb 0.01 -3.04 -0.23 0.00 0.01 0.00 0.00 72.50 69.26 3kf3 s THR 456 CO 0.01 0.01 0.21 0.47 -0.69 0.00 0.00 174.62 174.62 3kf3 n ASP 457 N 3.33 1.28 -4.40 3.53 10.43 -1.26 -4.89 116.55 124.57 3kf3 n ASP 457 Ca 0.13 0.11 -0.34 0.00 2.57 0.00 0.00 54.79 57.26 3kf3 n ASP 457 Cb 0.36 -0.11 -0.13 0.00 1.84 0.00 0.00 41.12 43.08 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 -2.54 3.51 0.02 -1.24 1.02 -1.26 -1.43 119.74 117.81 3kf3 s LYS 458 Ca -0.19 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.22 3kf3 s LYS 458 Cb 0.07 -2.90 -0.02 0.00 -0.52 0.00 0.00 37.83 34.47 3kf3 s LYS 458 CO 0.75 0.07 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.71 3kf3 s LEU 459 N 0.78 2.17 0.22 3.17 1.43 -1.04 -5.01 118.68 120.41 3kf3 s LEU 459 Ca -0.02 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.76 3kf3 s LEU 459 Cb -0.15 0.01 -0.05 0.00 0.03 0.00 0.00 46.19 46.03 3kf3 s LEU 459 CO 0.02 -0.19 -0.05 0.00 0.23 0.00 0.00 176.35 176.36 3kf3 s ALA 460 N -1.03 1.89 -0.21 4.21 0.00 -1.26 -1.08 121.76 124.27 3kf3 s ALA 460 Ca -0.10 -1.74 -0.04 0.00 0.00 0.00 0.00 51.96 50.08 3kf3 s ALA 460 Cb -0.07 0.29 0.10 0.00 0.00 0.00 0.00 23.12 23.44 3kf3 s ALA 460 CO -0.00 -0.15 0.29 0.00 0.00 0.00 0.00 175.76 175.89 3kf3 s ALA 461 N -3.27 -0.62 0.08 0.00 0.00 -0.28 -4.97 121.76 112.70 3kf3 s ALA 461 Ca 0.26 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.54 3kf3 s ALA 461 Cb 0.04 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 3kf3 s ALA 461 CO 0.08 -1.15 0.91 -0.47 0.00 0.00 0.00 175.76 175.13 3kf3 s TYR 462 N 2.42 3.77 -0.08 0.00 5.04 -1.26 -0.90 117.35 126.34 3kf3 s TYR 462 Ca 0.08 1.69 -0.05 0.00 -2.44 0.00 0.00 57.07 56.36 3kf3 s TYR 462 Cb -0.15 -3.00 0.04 0.00 0.35 0.00 0.00 41.96 39.20 3kf3 s TYR 462 CO -0.13 0.19 0.19 -0.51 -1.34 0.00 0.00 175.55 173.96 3kf3 s LEU 463 N 0.13 0.72 0.83 6.97 1.02 -0.79 -5.00 118.68 122.55 3kf3 s LEU 463 Ca 0.45 0.40 -0.11 0.00 0.02 0.00 0.00 54.13 54.90 3kf3 s LEU 463 Cb -0.22 0.57 0.09 0.00 0.02 0.00 0.00 46.19 46.64 3kf3 s LEU 463 CO 0.28 -0.14 1.10 -1.61 0.02 0.00 0.00 176.35 176.00 3kf3 s GLU 464 N 0.98 1.81 0.55 1.70 0.41 -1.26 -4.73 118.70 118.16 3kf3 s GLU 464 Ca -0.07 1.18 -0.20 0.00 -0.41 0.00 0.00 54.97 55.47 3kf3 s GLU 464 Cb -0.09 -1.84 -0.06 0.00 -1.78 0.00 0.00 34.13 30.36 3kf3 s GLU 464 CO -0.06 -1.96 1.08 -2.30 -0.49 0.00 0.00 175.26 171.53 3kf3 n PRO 465 N -3.74 1.20 -0.21 0.39 -0.02 -1.26 -4.89 135.00 126.47 3kf3 n PRO 465 Ca 0.09 0.45 -0.08 0.00 -2.02 0.00 0.00 63.50 61.94 3kf3 n PRO 465 Cb 0.53 -2.26 0.05 0.00 -0.02 0.00 0.00 33.50 31.80 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 0.95 1.03 -8.07 2.45 5.85 -0.70 -3.48 115.31 113.34 3kf3 h LEU 466 Ca -0.48 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 57.93 3kf3 h LEU 466 Cb 1.34 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3kf3 h LEU 466 CO 0.54 1.07 0.19 -0.62 -0.34 0.00 0.00 178.44 179.27 3kf3 s ASP 467 N -6.57 0.05 -0.09 1.25 -1.08 -1.14 -5.03 116.67 104.06 3kf3 s ASP 467 Ca -0.11 -1.06 0.03 0.00 -0.52 0.00 0.00 52.55 50.88 3kf3 s ASP 467 Cb 0.14 0.79 0.01 0.00 -1.46 0.00 0.00 42.92 42.40 3kf3 s ASP 467 CO 0.85 -1.55 -0.18 -0.31 0.52 0.00 0.00 175.17 174.51 3kf3 s TYR 468 N -2.82 2.07 -0.73 -5.34 1.51 -1.26 -0.93 117.35 109.84 3kf3 s TYR 468 Ca 0.17 -0.87 -0.13 0.00 -1.01 0.00 0.00 57.07 55.22 3kf3 s TYR 468 Cb -0.05 -1.44 0.19 0.00 -0.11 0.00 0.00 41.96 40.56 3kf3 s TYR 468 CO 0.11 -0.40 0.66 0.34 -1.11 0.00 0.00 175.55 175.16 3kf3 s ASP 469 N 0.62 6.47 1.79 2.29 2.15 0.19 -4.91 116.67 125.27 3kf3 s ASP 469 Ca -0.14 -2.47 0.00 0.00 0.43 0.00 0.00 52.55 50.37 3kf3 s ASP 469 Cb -0.16 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 3kf3 s ASP 469 CO 0.04 -0.63 0.00 0.00 -0.17 0.00 0.00 175.17 174.42 3kf3 n GLN 470 N 4.26 0.00 0.00 4.34 1.13 -1.26 -1.79 117.38 124.06 3kf3 n GLN 470 Ca 0.06 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.24 3kf3 n GLN 470 Cb 0.44 0.00 0.17 0.00 0.11 0.00 0.00 30.24 30.97 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 10.14 2.00 -4.71 1.08 5.75 -1.26 -4.94 116.55 124.60 3kf3 n ASP 471 Ca 0.00 -1.51 -0.40 0.00 -0.01 0.00 0.00 54.79 52.87 3kf3 n ASP 471 Cb 0.00 0.22 -0.05 0.00 -1.03 0.00 0.00 41.12 40.27 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 -2.30 4.31 0.01 -2.12 1.02 -0.74 -5.04 118.68 113.82 3kf3 s LEU 472 Ca 0.25 1.16 -0.30 0.00 0.02 0.00 0.00 54.13 55.26 3kf3 s LEU 472 Cb 0.19 -3.06 -0.04 0.00 0.02 0.00 0.00 46.19 43.30 3kf3 s LEU 472 CO 0.46 -0.12 1.08 -0.13 0.02 0.00 0.00 176.35 177.66 3kf3 s ARG 473 N 0.85 4.49 -0.09 1.70 0.52 -1.25 -0.64 118.95 124.53 3kf3 s ARG 473 Ca 0.37 1.56 -0.01 0.00 -0.52 0.00 0.00 55.73 57.14 3kf3 s ARG 473 Cb -0.17 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.83 3kf3 s ARG 473 CO 0.17 -0.17 -0.05 0.08 0.02 0.00 0.00 175.30 175.35 3kf3 s VAL 474 N 1.18 3.87 0.09 3.52 1.01 -0.11 -1.05 120.40 128.91 3kf3 s VAL 474 Ca 0.54 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.14 3kf3 s VAL 474 Cb -0.24 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3kf3 s VAL 474 CO 0.27 0.58 -0.07 -0.36 0.00 0.00 0.00 175.10 175.52 3kf3 s PHE 475 N -0.63 0.91 0.13 5.22 0.40 -0.18 0.11 117.98 123.94 3kf3 s PHE 475 Ca 0.10 -0.82 0.06 0.00 -0.60 0.00 0.00 56.93 55.67 3kf3 s PHE 475 Cb -0.12 -0.52 -0.04 0.00 0.51 0.00 0.00 43.02 42.86 3kf3 s PHE 475 CO 0.02 -0.11 -0.14 -1.54 0.70 0.00 0.00 175.22 174.15 3kf3 s SER 476 N -2.80 2.06 -0.08 1.36 1.04 -1.26 -1.02 113.70 113.00 3kf3 s SER 476 Ca 0.09 -0.82 -0.04 0.00 0.48 0.00 0.00 55.95 55.65 3kf3 s SER 476 Cb 0.02 -0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.10 3kf3 s SER 476 CO -0.03 -0.14 0.19 -0.22 0.98 0.00 0.00 173.24 174.02 3kf3 s LEU 477 N -2.50 0.70 -0.08 2.42 0.20 0.39 -0.50 118.68 119.30 3kf3 s LEU 477 Ca 0.10 0.41 0.03 0.00 0.69 0.00 0.00 54.13 55.35 3kf3 s LEU 477 Cb -0.05 0.57 0.01 0.00 -0.43 0.00 0.00 46.19 46.29 3kf3 s LEU 477 CO 0.03 -0.14 -0.17 -0.47 -0.29 0.00 0.00 176.35 175.32 3kf3 s TYR 478 N 1.01 1.92 0.05 5.38 5.04 -0.23 -0.72 117.35 129.80 3kf3 s TYR 478 Ca -0.08 -0.78 0.05 0.00 -2.44 0.00 0.00 57.07 53.82 3kf3 s TYR 478 Cb -0.09 -1.35 -0.02 0.00 0.35 0.00 0.00 41.96 40.84 3kf3 s TYR 478 CO -0.06 -0.36 -0.13 0.20 -1.34 0.00 0.00 175.55 173.86 3kf3 s GLY 479 N 0.61 0.79 -0.05 8.97 0.00 -0.33 -0.04 107.32 117.28 3kf3 s GLY 479 Ca -0.15 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.71 3kf3 s GLY 479 CO 0.05 -0.88 -0.06 -1.50 0.00 0.00 0.00 173.10 170.70 3kf3 s ILE 480 N -1.05 0.66 -0.13 0.90 2.07 -0.52 -1.12 121.20 122.01 3kf3 s ILE 480 Ca -0.01 -0.19 -0.00 0.00 -1.41 0.00 0.00 60.65 59.04 3kf3 s ILE 480 Cb -0.09 -0.67 -0.01 0.00 0.13 0.00 0.00 42.46 41.82 3kf3 s ILE 480 CO 0.02 0.26 -0.13 -0.69 -1.91 0.00 0.00 174.94 172.48 3kf3 s VAL 481 N 0.91 3.02 -0.45 4.00 1.01 0.11 -1.59 120.40 127.41 3kf3 s VAL 481 Ca -0.11 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.26 3kf3 s VAL 481 Cb -0.15 -2.26 0.22 0.00 0.00 0.00 0.00 36.38 34.19 3kf3 s VAL 481 CO 0.01 0.52 0.49 -0.67 0.00 0.00 0.00 175.10 175.45 3kf3 n ASP 482 N 3.56 0.58 0.00 3.32 2.03 -0.27 -1.16 116.55 124.60 3kf3 n ASP 482 Ca -0.18 -2.72 0.00 0.00 0.52 0.00 0.00 54.79 52.41 3kf3 n ASP 482 Cb 0.53 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 3kf3 n ASP 482 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kf3 n LYS 483 N 1.82 0.00 -0.08 -0.67 5.02 -0.62 -3.33 118.16 120.30 3kf3 n LYS 483 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3kf3 n LYS 483 Cb 0.49 -0.06 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 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 0.66 0.35 -3.77 4.39 2.04 -1.26 -4.76 115.26 112.91 3kf3 n ASN 484 Ca 0.00 -1.36 -0.14 0.00 -0.44 0.00 0.00 54.58 52.64 3kf3 n ASN 484 Cb 0.00 -0.05 -0.15 0.00 -2.53 0.00 0.00 39.78 37.06 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 -0.23 -0.04 -0.08 1.53 2.07 -1.21 -0.72 121.20 122.51 3kf3 s ILE 485 Ca 0.01 0.16 0.05 0.00 -1.41 0.00 0.00 60.65 59.46 3kf3 s ILE 485 Cb 0.01 -0.16 -0.00 0.00 0.13 0.00 0.00 42.46 42.43 3kf3 s ILE 485 CO 0.00 0.07 -0.24 -0.51 -1.91 0.00 0.00 174.94 172.35 3kf3 s ILE 486 N 0.92 2.00 -0.15 2.00 2.07 0.84 -1.12 121.20 127.77 3kf3 s ILE 486 Ca -0.07 -1.00 0.01 0.00 -1.41 0.00 0.00 60.65 58.17 3kf3 s ILE 486 Cb -0.10 -1.72 0.00 0.00 0.13 0.00 0.00 42.46 40.77 3kf3 s ILE 486 CO -0.04 0.55 -0.17 -1.61 -1.91 0.00 0.00 174.94 171.77 3kf3 s GLU 487 N 0.18 3.17 -0.08 3.50 2.02 -0.62 -1.54 118.70 125.34 3kf3 s GLU 487 Ca -0.13 -0.77 0.04 0.00 0.02 0.00 0.00 54.97 54.12 3kf3 s GLU 487 Cb -0.16 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 3kf3 s GLU 487 CO 0.07 -0.00 -0.19 -0.51 0.02 0.00 0.00 175.26 174.65 3kf3 s LEU 488 N 0.84 2.43 -0.22 1.80 1.43 0.15 -1.44 118.68 123.67 3kf3 s LEU 488 Ca -0.05 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 3kf3 s LEU 488 Cb -0.15 -1.49 0.06 0.00 0.03 0.00 0.00 46.19 44.63 3kf3 s LEU 488 CO -0.01 0.24 -0.06 -0.31 0.23 0.00 0.00 176.35 176.44 3kf3 s TYR 489 N -0.14 2.35 -0.08 0.29 1.51 0.95 -0.78 117.35 121.45 3kf3 s TYR 489 Ca -0.03 -1.69 -0.11 0.00 -1.01 0.00 0.00 57.07 54.23 3kf3 s TYR 489 Cb -0.14 -1.57 -0.05 0.00 -0.11 0.00 0.00 41.96 40.09 3kf3 s TYR 489 CO 0.04 -0.76 0.28 -0.06 -1.11 0.00 0.00 175.55 173.93 3kf3 s PHE 490 N 1.41 3.63 -1.21 2.71 0.40 0.15 -1.07 117.98 124.00 3kf3 s PHE 490 Ca -0.05 0.73 -0.18 0.00 -0.60 0.00 0.00 56.93 56.83 3kf3 s PHE 490 Cb -0.18 -2.16 -0.00 0.00 0.51 0.00 0.00 43.02 41.19 3kf3 s PHE 490 CO -0.07 0.61 0.70 0.09 0.70 0.00 0.00 175.22 177.25 3kf3 n ASN 491 N 2.22 -4.07 -3.59 1.36 3.02 0.34 -0.59 115.26 113.95 3kf3 n ASN 491 Ca -0.16 -1.05 -0.21 0.00 -0.03 0.00 0.00 54.58 53.13 3kf3 n ASN 491 Cb 0.53 -3.11 0.07 0.00 -0.61 0.00 0.00 39.78 36.66 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 -2.68 -3.02 0.00 6.41 2.03 -1.26 -2.87 116.55 115.16 3kf3 n ASP 492 Ca -0.14 -0.67 0.00 0.00 0.52 0.00 0.00 54.79 54.49 3kf3 n ASP 492 Cb 0.61 -4.69 0.00 0.00 -0.72 0.00 0.00 41.12 36.32 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 -1.49 0.52 0.24 0.27 0.00 -1.05 -4.77 105.19 98.91 3kf3 n GLY 493 Ca -0.19 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 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 1.23 -4.02 2.61 2.02 -0.70 -2.14 112.91 111.90 3kf3 h THR 494 Ca 0.00 -0.74 -0.39 0.00 0.77 0.00 0.00 66.41 66.05 3kf3 h THR 494 Cb 0.00 0.74 -0.26 0.00 -1.74 0.00 0.00 68.15 66.89 3kf3 h THR 494 CO 0.00 0.28 -0.77 0.54 0.37 0.00 0.00 175.52 175.93 3kf3 s VAL 495 N -5.45 0.78 0.07 3.16 0.11 -1.17 -4.78 120.40 113.12 3kf3 s VAL 495 Ca -0.13 -0.65 0.07 0.00 -2.93 0.00 0.00 61.98 58.34 3kf3 s VAL 495 Cb 0.12 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 3kf3 s VAL 495 CO 0.79 0.05 -0.15 0.00 -3.33 0.00 0.00 175.10 172.46 3kf3 s ALA 496 N -0.56 2.74 -0.04 1.54 0.00 -1.26 -0.68 121.76 123.50 3kf3 s ALA 496 Ca 0.01 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 50.71 3kf3 s ALA 496 Cb -0.06 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.31 3kf3 s ALA 496 CO 0.00 0.60 0.06 1.41 0.00 0.00 0.00 175.76 177.83 3kf3 s MET 497 N -1.81 -0.07 -0.15 0.00 -2.45 0.04 -1.30 119.30 113.55 3kf3 s MET 497 Ca 0.17 0.36 0.01 0.00 -1.25 0.00 0.00 55.69 54.98 3kf3 s MET 497 Cb -0.11 -0.49 0.01 0.00 1.25 0.00 0.00 34.83 35.49 3kf3 s MET 497 CO 0.09 -0.31 -0.18 0.99 1.05 0.00 0.00 175.02 176.65 3kf3 s THR 498 N 2.05 2.36 -0.04 10.11 2.01 -1.26 -0.68 115.64 130.19 3kf3 s THR 498 Ca 0.03 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.14 3kf3 s THR 498 Cb -0.12 -1.98 0.02 0.00 0.01 0.00 0.00 72.50 70.43 3kf3 s THR 498 CO -0.03 0.53 0.08 0.20 -0.69 0.00 0.00 174.62 174.71 3kf3 s ASN 499 N 0.90 -0.06 0.68 3.53 0.01 -0.59 -1.72 114.94 117.70 3kf3 s ASN 499 Ca -0.04 0.17 -0.11 0.00 -0.71 0.00 0.00 52.86 52.16 3kf3 s ASN 499 Cb -0.15 0.11 -0.00 0.00 0.41 0.00 0.00 41.25 41.62 3kf3 s ASN 499 CO -0.03 -0.08 1.08 0.42 -1.51 0.00 0.00 177.10 176.98 3kf3 s THR 500 N 0.57 3.83 0.01 1.60 -4.23 -1.26 -0.11 115.64 116.05 3kf3 s THR 500 Ca -0.04 0.59 -0.18 0.00 -1.18 0.00 0.00 61.69 60.88 3kf3 s THR 500 Cb -0.06 -3.58 0.03 0.00 1.34 0.00 0.00 72.50 70.23 3kf3 s THR 500 CO -0.02 -0.78 0.40 0.72 -0.54 0.00 0.00 174.62 174.40 3kf3 s PHE 501 N -3.31 -0.27 -0.34 3.99 -0.12 0.10 -4.87 117.98 113.16 3kf3 s PHE 501 Ca 0.57 0.32 -0.00 0.00 -0.05 0.00 0.00 56.93 57.77 3kf3 s PHE 501 Cb -0.11 0.19 0.11 0.00 -0.63 0.00 0.00 43.02 42.58 3kf3 s PHE 501 CO 0.52 -0.51 0.14 -0.06 -0.05 0.00 0.00 175.22 175.26 3kf3 s PHE 502 N -1.97 1.63 0.74 3.49 0.08 -1.26 -4.54 117.98 116.14 3kf3 s PHE 502 Ca -0.09 -1.84 -0.11 0.00 0.12 0.00 0.00 56.93 55.02 3kf3 s PHE 502 Cb -0.02 -1.66 0.04 0.00 -0.57 0.00 0.00 43.02 40.81 3kf3 s PHE 502 CO 0.01 -0.85 1.08 -1.64 -0.10 0.00 0.00 175.22 173.71 3kf3 s MET 503 N 1.33 2.55 0.85 0.44 -1.94 -1.26 -4.88 119.30 116.38 3kf3 s MET 503 Ca 0.12 1.04 -0.11 0.00 -1.71 0.00 0.00 55.69 55.02 3kf3 s MET 503 Cb -0.19 -1.94 0.11 0.00 2.01 0.00 0.00 34.83 34.81 3kf3 s MET 503 CO -0.18 -1.40 1.16 0.20 -0.01 0.00 0.00 175.02 174.78 3kf3 s GLY 504 N -3.61 1.86 0.00 -0.03 0.00 -1.26 -4.82 107.32 99.47 3kf3 s GLY 504 Ca 0.60 0.62 -0.38 0.00 0.00 0.00 0.00 44.72 45.56 3kf3 s GLY 504 CO 0.56 1.03 1.37 -2.21 0.00 0.00 0.00 173.10 173.85 3kf3 n GLU 505 N -3.75 0.97 0.00 2.90 2.13 -1.26 -1.29 120.64 120.33 3kf3 n GLU 505 Ca 0.12 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.29 3kf3 n GLU 505 Cb 0.52 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 30.25 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 2.67 3.13 3.81 8.31 0.00 -1.26 -5.02 105.19 116.84 3kf3 n GLY 506 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.35 4.24 0.14 1.61 1.02 -0.41 -4.80 119.74 121.19 3kf3 s LYS 507 Ca 0.00 0.80 -0.14 0.00 0.02 0.00 0.00 55.97 56.65 3kf3 s LYS 507 Cb 0.00 -3.11 0.02 0.00 -0.52 0.00 0.00 37.83 34.22 3kf3 s LYS 507 CO 0.00 0.55 0.38 1.52 -0.92 0.00 0.00 175.35 176.87 3kf3 s TYR 508 N -1.27 -0.03 -0.07 3.18 -0.85 -1.26 -4.70 117.35 112.36 3kf3 s TYR 508 Ca 0.35 -0.32 -0.38 0.00 -0.52 0.00 0.00 57.07 56.20 3kf3 s TYR 508 Cb -0.19 0.19 -0.16 0.00 0.38 0.00 0.00 41.96 42.18 3kf3 s TYR 508 CO 0.21 -0.73 1.55 -2.30 -1.52 0.00 0.00 175.55 172.76 3kf3 n PRO 509 N -0.22 1.26 0.00 -3.49 -0.02 -1.26 -3.26 135.00 128.01 3kf3 n PRO 509 Ca -0.13 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3kf3 n PRO 509 Cb 0.63 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 3.96 0.00 -3.85 6.00 8.25 0.72 -3.75 115.22 126.55 3kf3 n HIS 510 Ca 0.22 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.57 3kf3 n HIS 510 Cb 0.18 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.20 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 -3.38 0.01 -0.04 0.41 -4.77 -0.95 -4.81 116.67 103.13 3kf3 s ASP 511 Ca 0.00 -0.26 0.07 0.00 -3.30 0.00 0.00 52.55 49.06 3kf3 s ASP 511 Cb 0.00 0.26 -0.02 0.00 -1.09 0.00 0.00 42.92 42.07 3kf3 s ASP 511 CO 0.00 -0.48 -0.25 -0.63 0.70 0.00 0.00 175.17 174.51 3kf3 s ILE 512 N -2.00 2.09 0.08 2.11 1.01 -1.26 -0.90 121.20 122.33 3kf3 s ILE 512 Ca -0.10 -1.07 0.07 0.00 0.00 0.00 0.00 60.65 59.55 3kf3 s ILE 512 Cb -0.04 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 3kf3 s ILE 512 CO -0.01 0.58 -0.19 -1.10 0.00 0.00 0.00 174.94 174.22 3kf3 s GLN 513 N -0.40 1.10 -0.14 2.79 -0.21 -0.42 -1.10 119.66 121.28 3kf3 s GLN 513 Ca 0.03 -1.05 0.01 0.00 0.02 0.00 0.00 55.36 54.38 3kf3 s GLN 513 Cb -0.12 -1.26 0.02 0.00 1.00 0.00 0.00 33.01 32.65 3kf3 s GLN 513 CO 0.01 0.30 -0.16 0.42 -2.12 0.00 0.00 175.29 173.74 3kf3 s ILE 514 N -1.09 1.65 0.08 1.08 1.01 0.17 -0.07 121.20 124.03 3kf3 s ILE 514 Ca 0.05 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 3kf3 s ILE 514 Cb -0.10 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 3kf3 s ILE 514 CO 0.03 0.47 -0.03 0.68 0.00 0.00 0.00 174.94 176.09 3kf3 s VAL 515 N 1.26 0.37 0.16 2.92 -7.23 0.01 -1.19 120.40 116.69 3kf3 s VAL 515 Ca 0.00 -1.86 -0.14 0.00 -1.81 0.00 0.00 61.98 58.17 3kf3 s VAL 515 Cb -0.14 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.18 3kf3 s VAL 515 CO -0.07 -0.89 0.39 0.28 -0.31 0.00 0.00 175.10 174.49 3kf3 s THR 516 N -3.83 0.06 -1.72 5.32 -1.32 -1.26 -0.49 115.64 112.40 3kf3 s THR 516 Ca 0.11 -0.92 0.21 0.00 -1.21 0.00 0.00 61.69 59.87 3kf3 s THR 516 Cb 0.07 -1.50 -0.05 0.00 -1.51 0.00 0.00 72.50 69.51 3kf3 s THR 516 CO -0.07 -0.28 1.00 0.47 -2.21 0.00 0.00 174.62 173.53 3kf3 n ASP 517 N -0.24 1.75 -4.76 8.08 8.00 -1.26 -3.60 116.55 124.52 3kf3 n ASP 517 Ca -0.12 -1.37 -0.41 0.00 0.71 0.00 0.00 54.79 53.60 3kf3 n ASP 517 Cb 0.63 0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 42.29 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 -2.45 2.89 0.05 -3.53 -4.23 -1.26 -4.64 115.64 102.47 3kf3 s THR 518 Ca 0.15 0.84 0.04 0.00 -1.18 0.00 0.00 61.69 61.54 3kf3 s THR 518 Cb 0.17 -3.53 -0.24 0.00 1.34 0.00 0.00 72.50 70.23 3kf3 s THR 518 CO 0.59 0.17 1.01 -0.33 -0.54 0.00 0.00 174.62 175.53 3kf3 h GLU 519 N 4.11 0.11 -6.20 3.99 5.08 -1.93 0.13 114.58 119.86 3kf3 h GLU 519 Ca -0.47 -0.18 -0.50 0.00 -1.00 0.00 0.00 59.36 57.21 3kf3 h GLU 519 Cb 1.22 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 3kf3 h GLU 519 CO 0.70 0.96 -0.50 -1.21 -1.00 0.00 0.00 179.01 177.95 3kf3 s GLU 520 N -2.65 3.01 -0.24 2.33 0.41 -1.26 -4.69 118.70 115.61 3kf3 s GLU 520 Ca -0.04 -1.01 -0.29 0.00 -0.41 0.00 0.00 54.97 53.22 3kf3 s GLU 520 Cb 0.08 -2.62 -0.01 0.00 -1.78 0.00 0.00 34.13 29.81 3kf3 s GLU 520 CO 0.84 0.39 1.30 -2.14 -0.49 0.00 0.00 175.26 175.16 3kf3 s PRO 521 N -3.88 4.03 -0.10 0.39 0.02 -1.26 -4.79 135.00 129.42 3kf3 s PRO 521 Ca 0.33 1.43 0.18 0.00 0.02 0.00 0.00 61.00 62.96 3kf3 s PRO 521 Cb -0.08 -3.84 -0.24 0.00 0.02 0.00 0.00 34.50 30.36 3kf3 s PRO 521 CO 0.26 -0.97 0.37 -0.11 -0.33 0.00 0.00 177.00 176.22 3kf3 n LEU 522 N 7.27 0.28 -4.20 -5.54 7.94 -1.26 -4.79 117.00 116.71 3kf3 n LEU 522 Ca 0.15 0.13 -0.31 0.00 -1.11 0.00 0.00 56.01 54.87 3kf3 n LEU 522 Cb 0.46 0.28 -0.17 0.00 0.53 0.00 0.00 43.42 44.52 3kf3 n LEU 522 CO 0.60 0.32 -0.55 -0.36 -1.11 0.00 0.00 177.39 176.30 3kf3 s PHE 523 N -2.78 2.36 -0.26 1.96 0.40 -1.26 -0.01 117.98 118.40 3kf3 s PHE 523 Ca -0.08 -0.92 -0.09 0.00 -0.60 0.00 0.00 56.93 55.25 3kf3 s PHE 523 Cb 0.08 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 3kf3 s PHE 523 CO 0.84 -0.36 0.14 -2.00 0.70 0.00 0.00 175.22 174.53 3kf3 s GLU 524 N 0.31 3.86 -0.71 0.44 2.12 -0.45 -1.68 118.70 122.59 3kf3 s GLU 524 Ca -0.16 -0.37 -0.23 0.00 0.36 0.00 0.00 54.97 54.57 3kf3 s GLU 524 Cb -0.17 -3.51 0.07 0.00 0.26 0.00 0.00 34.13 30.79 3kf3 s GLU 524 CO 0.07 -0.13 1.03 -0.51 -0.54 0.00 0.00 175.26 175.17 3kf3 s LEU 525 N 1.56 4.31 0.35 2.70 1.43 0.74 -0.23 118.68 129.55 3kf3 s LEU 525 Ca 0.07 -1.06 0.07 0.00 -1.03 0.00 0.00 54.13 52.17 3kf3 s LEU 525 Cb -0.15 -2.43 0.66 0.00 0.03 0.00 0.00 46.19 44.29 3kf3 s LEU 525 CO 0.07 -1.44 1.87 -0.33 0.23 0.00 0.00 176.35 176.75 3kf3 h GLU 526 N 9.54 0.37 -2.84 1.70 5.08 -1.03 -0.16 114.58 127.24 3kf3 h GLU 526 Ca -0.23 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 57.88 3kf3 h GLU 526 Cb 1.06 -0.05 -0.29 0.00 0.50 0.00 0.00 28.75 29.98 3kf3 h GLU 526 CO 1.19 0.49 -0.42 0.45 -1.00 0.00 0.00 179.01 179.72 3kf3 s SER 527 N -6.82 -0.29 -0.12 1.42 0.15 -0.99 -1.58 113.70 105.48 3kf3 s SER 527 Ca -0.06 0.69 -0.01 0.00 0.70 0.00 0.00 55.95 57.27 3kf3 s SER 527 Cb 0.15 0.62 0.03 0.00 -1.71 0.00 0.00 66.02 65.11 3kf3 s SER 527 CO 0.75 -0.19 -0.07 -0.69 1.20 0.00 0.00 173.24 174.25 3kf3 s VAL 528 N 1.50 0.99 -0.20 4.45 1.01 -0.13 -1.46 120.40 126.56 3kf3 s VAL 528 Ca -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3kf3 s VAL 528 Cb -0.10 -1.04 0.05 0.00 0.00 0.00 0.00 36.38 35.29 3kf3 s VAL 528 CO -0.10 0.33 -0.06 -0.63 0.00 0.00 0.00 175.10 174.64 3kf3 s ILE 529 N 1.72 1.35 -0.15 2.22 1.01 -0.40 -0.90 121.20 126.06 3kf3 s ILE 529 Ca 0.04 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 3kf3 s ILE 529 Cb -0.13 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 3kf3 s ILE 529 CO -0.08 0.01 -0.11 -0.63 0.00 0.00 0.00 174.94 174.14 3kf3 s ILE 530 N 1.50 3.16 0.03 2.92 1.01 -0.07 -1.18 121.20 128.57 3kf3 s ILE 530 Ca -0.03 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.08 3kf3 s ILE 530 Cb -0.17 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 3kf3 s ILE 530 CO -0.07 0.50 -0.20 -0.13 0.00 0.00 0.00 174.94 175.04 3kf3 s ARG 531 N 0.62 1.41 -0.15 2.79 0.52 -0.37 -0.01 118.95 123.76 3kf3 s ARG 531 Ca -0.06 -0.86 -0.18 0.00 -0.52 0.00 0.00 55.73 54.10 3kf3 s ARG 531 Cb -0.15 -1.47 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 3kf3 s ARG 531 CO 0.03 0.38 0.49 -2.00 0.02 0.00 0.00 175.30 174.22 3kf3 s GLU 532 N -0.99 4.28 0.39 3.54 2.12 0.22 -1.75 118.70 126.52 3kf3 s GLU 532 Ca 0.07 0.43 0.08 0.00 0.36 0.00 0.00 54.97 55.90 3kf3 s GLU 532 Cb -0.08 -3.48 -0.06 0.00 0.26 0.00 0.00 34.13 30.77 3kf3 s GLU 532 CO 0.01 0.05 0.12 -0.51 -0.54 0.00 0.00 175.26 174.38 3kf3 s LEU 533 N 0.99 3.06 0.03 2.70 1.02 0.40 -0.35 118.68 126.53 3kf3 s LEU 533 Ca 0.25 -1.09 -0.16 0.00 0.02 0.00 0.00 54.13 53.15 3kf3 s LEU 533 Cb -0.15 -1.36 0.03 0.00 0.02 0.00 0.00 46.19 44.73 3kf3 s LEU 533 CO 0.10 -0.45 0.35 0.21 0.02 0.00 0.00 176.35 176.58 3kf3 s ASN 534 N -3.83 -0.21 0.00 2.29 2.47 -0.49 -4.47 114.94 110.70 3kf3 s ASN 534 Ca 0.39 -0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.64 3kf3 s ASN 534 Cb 0.04 0.37 0.00 0.00 -1.45 0.00 0.00 41.25 40.21 3kf3 s ASN 534 CO 0.21 -0.59 0.48 2.29 -3.72 0.00 0.00 177.10 175.77