#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nf3 n PRO 2 N 0.00 0.56 0.00 3.17 -0.04 -1.26 -4.93 135.00 132.51 3nf3 n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3nf3 n PRO 2 Cb 0.00 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 3nf3 n PRO 2 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3nf3 n PHE 3 N -0.40 0.00 -2.84 0.54 7.35 -1.26 -4.88 117.46 115.97 3nf3 n PHE 3 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 3nf3 n PHE 3 Cb 0.02 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.81 3nf3 n PHE 3 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3nf3 s VAL 4 N 0.00 4.86 -2.00 -2.13 1.01 -1.26 -4.69 120.40 116.19 3nf3 s VAL 4 Ca 0.00 1.76 0.31 0.00 0.00 0.00 0.00 61.98 64.05 3nf3 s VAL 4 Cb 0.00 -4.19 0.82 0.00 0.00 0.00 0.00 36.38 33.01 3nf3 s VAL 4 CO 0.00 0.04 2.15 -0.46 0.00 0.00 0.00 175.10 176.83 3nf3 n ASN 5 N 5.01 0.19 -3.59 3.32 6.94 -1.20 -4.88 115.26 121.05 3nf3 n ASN 5 Ca 0.05 -0.97 -0.05 0.00 -0.02 0.00 0.00 54.58 53.59 3nf3 n ASN 5 Cb 0.49 -0.03 -0.02 0.00 -2.36 0.00 0.00 39.78 37.86 3nf3 n ASN 5 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3nf3 s LYS 6 N -2.06 0.34 -0.95 -3.83 -2.85 -1.26 -5.09 119.74 104.05 3nf3 s LYS 6 Ca 0.45 -0.10 -0.20 0.00 -1.00 0.00 0.00 55.97 55.12 3nf3 s LYS 6 Cb 0.22 0.16 0.12 0.00 -2.06 0.00 0.00 37.83 36.26 3nf3 s LYS 6 CO 0.38 -0.15 1.19 -0.65 0.10 0.00 0.00 175.35 176.22 3nf3 s GLN 7 N -2.28 3.60 0.30 1.78 -1.52 -1.26 -5.01 119.66 115.26 3nf3 s GLN 7 Ca 0.08 -1.64 -0.29 0.00 -1.95 0.00 0.00 55.36 51.56 3nf3 s GLN 7 Cb -0.01 -5.00 -0.10 0.00 -0.22 0.00 0.00 33.01 27.68 3nf3 s GLN 7 CO -0.05 -1.85 1.24 -0.06 -0.25 0.00 0.00 175.29 174.32 3nf3 s PHE 8 N 3.11 3.25 0.03 0.91 0.08 -1.26 -5.05 117.98 119.04 3nf3 s PHE 8 Ca 0.35 1.48 0.03 0.00 0.12 0.00 0.00 56.93 58.91 3nf3 s PHE 8 Cb -0.04 -3.54 -0.04 0.00 -0.57 0.00 0.00 43.02 38.83 3nf3 s PHE 8 CO -0.10 -1.44 -0.02 -0.80 -0.10 0.00 0.00 175.22 172.77 3nf3 s ASN 9 N -0.51 4.93 0.53 1.36 0.01 -1.26 -4.80 114.94 115.20 3nf3 s ASN 9 Ca 0.48 -0.10 0.21 0.00 -0.71 0.00 0.00 52.86 52.74 3nf3 s ASN 9 Cb -0.37 -1.21 1.40 0.00 0.41 0.00 0.00 41.25 41.47 3nf3 s ASN 9 CO 0.47 0.25 2.14 0.22 -1.51 0.00 0.00 177.10 178.68 3nf3 h TYR 10 N 4.14 0.00 -0.01 2.20 3.20 -1.90 -1.18 116.97 123.43 3nf3 h TYR 10 Ca -0.48 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.39 3nf3 h TYR 10 Cb 1.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.44 3nf3 h TYR 10 CO 0.60 0.05 -0.13 1.63 -1.64 0.00 0.00 178.16 178.67 3nf3 n LYS 11 N -4.22 0.79 -1.62 1.82 5.02 -1.26 -4.89 118.16 113.80 3nf3 n LYS 11 Ca -0.03 -0.32 -0.45 0.00 -2.02 0.00 0.00 58.31 55.49 3nf3 n LYS 11 Cb 0.13 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 3nf3 n LYS 11 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3nf3 n ASP 12 N -0.82 1.87 -4.77 4.39 8.00 -0.45 -4.89 116.55 119.87 3nf3 n ASP 12 Ca 0.15 1.16 -0.41 0.00 0.71 0.00 0.00 54.79 56.40 3nf3 n ASP 12 Cb 0.29 -1.33 -0.01 0.00 -0.02 0.00 0.00 41.12 40.05 3nf3 n ASP 12 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3nf3 s PRO 13 N -1.00 4.15 0.58 -0.24 0.02 -1.26 -4.98 135.00 132.27 3nf3 s PRO 13 Ca 0.64 2.51 -0.20 0.00 0.02 0.00 0.00 61.00 63.97 3nf3 s PRO 13 Cb -0.71 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 30.77 3nf3 s PRO 13 CO 0.56 -0.50 1.27 0.14 -0.33 0.00 0.00 177.00 178.14 3nf3 s VAL 14 N -0.87 2.36 0.00 3.83 -7.23 -1.26 -4.85 120.40 112.38 3nf3 s VAL 14 Ca 0.54 0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.96 3nf3 s VAL 14 Cb -0.46 -3.11 0.00 0.00 0.56 0.00 0.00 36.38 33.37 3nf3 s VAL 14 CO 0.58 -0.03 0.50 -0.46 -0.31 0.00 0.00 175.10 175.38 3nf3 n ASN 15 N -1.36 0.59 0.00 4.85 0.23 0.16 -4.98 115.26 114.74 3nf3 n ASN 15 Ca 0.12 -1.23 0.00 0.00 -0.53 0.00 0.00 54.58 52.95 3nf3 n ASN 15 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 3nf3 n ASN 15 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3nf3 n GLY 16 N -0.11 0.55 0.62 4.83 0.00 -0.70 -4.74 105.19 105.65 3nf3 n GLY 16 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3nf3 n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3nf3 n VAL 17 N -2.00 1.30 -0.12 1.61 0.31 -1.26 -4.90 118.33 113.27 3nf3 n VAL 17 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 3nf3 n VAL 17 Cb 0.00 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.02 3nf3 n VAL 17 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3nf3 n ASP 18 N -3.90 0.47 -3.87 4.52 5.68 -1.26 -4.85 116.55 113.34 3nf3 n ASP 18 Ca -0.08 -0.75 -0.28 0.00 -0.50 0.00 0.00 54.79 53.18 3nf3 n ASP 18 Cb 0.27 0.32 -0.16 0.00 -1.14 0.00 0.00 41.12 40.41 3nf3 n ASP 18 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3nf3 s ILE 19 N -0.32 1.03 0.25 2.12 1.01 -1.26 -0.74 121.20 123.28 3nf3 s ILE 19 Ca 0.00 -0.62 -0.18 0.00 0.00 0.00 0.00 60.65 59.85 3nf3 s ILE 19 Cb 0.00 -1.25 0.02 0.00 0.01 0.00 0.00 42.46 41.24 3nf3 s ILE 19 CO 0.00 0.08 0.61 0.00 0.00 0.00 0.00 174.94 175.63 3nf3 s ALA 20 N 1.66 -0.91 -0.05 9.38 0.00 -1.04 0.36 121.76 131.16 3nf3 s ALA 20 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 51.96 51.41 3nf3 s ALA 20 Cb -0.16 0.91 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 3nf3 s ALA 20 CO -0.07 -0.93 0.38 0.71 0.00 0.00 0.00 175.76 175.85 3nf3 s TYR 21 N -3.93 3.65 0.15 0.00 1.51 -1.26 -0.05 117.35 117.42 3nf3 s TYR 21 Ca 0.13 0.88 0.00 0.00 -1.01 0.00 0.00 57.07 57.08 3nf3 s TYR 21 Cb -0.03 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.47 3nf3 s TYR 21 CO 0.05 0.53 0.03 0.96 -1.11 0.00 0.00 175.55 176.00 3nf3 s ILE 22 N -0.60 0.38 0.06 2.71 -4.36 -0.16 -1.28 121.20 117.94 3nf3 s ILE 22 Ca 0.22 -1.94 0.07 0.00 -0.26 0.00 0.00 60.65 58.74 3nf3 s ILE 22 Cb -0.16 -2.10 -0.03 0.00 1.25 0.00 0.00 42.46 41.42 3nf3 s ILE 22 CO 0.11 -0.46 -0.16 -1.59 0.24 0.00 0.00 174.94 173.08 3nf3 s LYS 23 N -3.99 2.08 -0.33 0.37 -2.85 -0.19 -1.81 119.74 113.03 3nf3 s LYS 23 Ca 0.24 -0.99 -0.05 0.00 -1.00 0.00 0.00 55.97 54.18 3nf3 s LYS 23 Cb 0.07 -2.22 0.05 0.00 -2.06 0.00 0.00 37.83 33.66 3nf3 s LYS 23 CO 0.03 0.53 0.08 0.42 0.10 0.00 0.00 175.35 176.52 3nf3 s ILE 24 N -1.00 3.50 0.00 3.79 1.01 -1.26 -2.45 121.20 124.79 3nf3 s ILE 24 Ca 0.16 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.52 3nf3 s ILE 24 Cb -0.11 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.33 3nf3 s ILE 24 CO 0.07 -0.21 0.00 -2.65 0.00 0.00 0.00 174.94 172.16 3nf3 n PRO 25 N 4.74 0.00 0.00 2.79 -0.02 -1.26 -4.88 135.00 136.36 3nf3 n PRO 25 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 3nf3 n PRO 25 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 3nf3 n PRO 25 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3nf3 n ASN 26 N 0.00 0.00 -4.88 2.55 4.13 -1.26 -4.87 115.26 110.93 3nf3 n ASN 26 Ca 0.00 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.94 3nf3 n ASN 26 Cb 0.00 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.19 3nf3 n ASN 26 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3nf3 s GLN 29 N 1.87 3.73 0.11 3.52 1.11 -1.26 -4.96 119.66 123.79 3nf3 s GLN 29 Ca 0.00 0.14 0.10 0.00 0.01 0.00 0.00 55.36 55.60 3nf3 s GLN 29 Cb 0.00 -2.73 -0.04 0.00 -1.01 0.00 0.00 33.01 29.23 3nf3 s GLN 29 CO 0.00 0.38 -0.24 0.00 0.01 0.00 0.00 175.29 175.44 3nf3 s MET 30 N -2.73 1.31 0.45 2.91 0.23 -1.26 -5.13 119.30 115.08 3nf3 s MET 30 Ca 0.45 -1.25 -0.22 0.00 -1.03 0.00 0.00 55.69 53.63 3nf3 s MET 30 Cb -0.12 -1.69 -0.09 0.00 -1.53 0.00 0.00 34.83 31.41 3nf3 s MET 30 CO 0.22 0.40 1.05 1.14 -2.03 0.00 0.00 175.02 175.81 3nf3 s GLN 31 N -1.94 3.95 0.75 3.16 -2.07 -1.26 -5.01 119.66 117.24 3nf3 s GLN 31 Ca 0.11 1.45 -0.14 0.00 -1.82 0.00 0.00 55.36 54.96 3nf3 s GLN 31 Cb -0.10 -2.30 0.05 0.00 -1.09 0.00 0.00 33.01 29.57 3nf3 s GLN 31 CO 0.05 -0.32 1.19 -2.14 -1.32 0.00 0.00 175.29 172.75 3nf3 s PRO 32 N -2.89 2.03 0.13 9.60 0.02 -1.26 -4.94 135.00 137.69 3nf3 s PRO 32 Ca 0.63 1.68 0.06 0.00 0.02 0.00 0.00 61.00 63.39 3nf3 s PRO 32 Cb -0.19 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 3nf3 s PRO 32 CO 0.24 -1.90 -0.14 0.14 -0.33 0.00 0.00 177.00 175.01 3nf3 s VAL 33 N -2.13 1.34 -0.09 3.83 -7.23 -0.75 -4.86 120.40 110.50 3nf3 s VAL 33 Ca 0.72 -1.76 -0.30 0.00 -1.81 0.00 0.00 61.98 58.84 3nf3 s VAL 33 Cb -0.27 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 3nf3 s VAL 33 CO 0.47 -0.44 1.09 -0.75 -0.31 0.00 0.00 175.10 175.16 3nf3 s LYS 34 N -2.77 4.38 0.32 4.82 2.20 -1.26 -0.99 119.74 126.43 3nf3 s LYS 34 Ca 0.10 1.51 0.07 0.00 -0.36 0.00 0.00 55.97 57.29 3nf3 s LYS 34 Cb -0.04 -3.56 -0.06 0.00 -1.51 0.00 0.00 37.83 32.65 3nf3 s LYS 34 CO 0.03 -0.40 -0.03 0.00 -0.36 0.00 0.00 175.35 174.59 3nf3 s ALA 35 N 2.20 2.62 -0.05 3.13 0.00 0.92 -4.34 121.76 126.24 3nf3 s ALA 35 Ca 0.51 -2.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.41 3nf3 s ALA 35 Cb -0.21 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.18 3nf3 s ALA 35 CO 0.19 -0.10 0.06 -0.06 0.00 0.00 0.00 175.76 175.85 3nf3 s PHE 36 N -2.93 0.12 -0.50 0.00 0.40 -0.58 -2.48 117.98 112.00 3nf3 s PHE 36 Ca 0.32 0.19 -0.26 0.00 -0.60 0.00 0.00 56.93 56.59 3nf3 s PHE 36 Cb 0.06 -0.52 0.03 0.00 0.51 0.00 0.00 43.02 43.10 3nf3 s PHE 36 CO 0.15 -0.22 0.98 0.21 0.70 0.00 0.00 175.22 177.04 3nf3 s LYS 37 N 2.15 3.50 0.00 0.44 2.20 0.08 -0.43 119.74 127.68 3nf3 s LYS 37 Ca 0.05 0.12 0.25 0.00 -0.36 0.00 0.00 55.97 56.03 3nf3 s LYS 37 Cb -0.12 -3.96 0.52 0.00 -1.51 0.00 0.00 37.83 32.75 3nf3 s LYS 37 CO -0.04 -1.36 1.42 0.44 -0.36 0.00 0.00 175.35 175.46 3nf3 n ILE 38 N 6.45 0.00 -3.59 5.43 -5.35 -0.63 -4.88 119.36 116.78 3nf3 n ILE 38 Ca 0.06 -0.07 -0.06 0.00 -0.27 0.00 0.00 62.75 62.41 3nf3 n ILE 38 Cb 0.48 0.42 -0.04 0.00 -1.74 0.00 0.00 39.64 38.77 3nf3 n ILE 38 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3nf3 s HIS 39 N -2.77 -0.21 -0.16 4.28 5.04 -1.18 -3.24 115.29 117.05 3nf3 s HIS 39 Ca 0.17 0.27 -0.41 0.00 -1.54 0.00 0.00 55.06 53.55 3nf3 s HIS 39 Cb 0.18 0.49 -0.18 0.00 0.04 0.00 0.00 32.58 33.11 3nf3 s HIS 39 CO 0.63 -0.24 1.39 -1.71 -2.34 0.00 0.00 174.74 172.48 3nf3 n ASN 40 N 0.33 1.12 0.00 9.88 5.15 -1.26 -0.22 115.26 130.27 3nf3 n ASN 40 Ca -0.04 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 55.08 3nf3 n ASN 40 Cb 0.59 -1.01 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 3nf3 n ASN 40 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3nf3 n LYS 41 N 3.09 0.00 -4.10 1.20 4.76 -1.26 -4.90 118.16 116.96 3nf3 n LYS 41 Ca 0.24 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.35 3nf3 n LYS 41 Cb 0.08 -2.58 -0.16 0.00 -1.84 0.00 0.00 35.03 30.53 3nf3 n LYS 41 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3nf3 s ILE 42 N -2.81 2.04 0.16 -0.18 1.01 0.69 -0.97 121.20 121.15 3nf3 s ILE 42 Ca 0.00 -1.10 0.10 0.00 0.00 0.00 0.00 60.65 59.64 3nf3 s ILE 42 Cb 0.00 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3nf3 s ILE 42 CO 0.00 0.37 -0.19 0.26 0.00 0.00 0.00 174.94 175.39 3nf3 s TRP 43 N 1.26 2.46 -0.14 3.97 0.52 -0.35 -1.60 118.94 125.06 3nf3 s TRP 43 Ca 0.01 -0.29 0.01 0.00 0.02 0.00 0.00 56.10 55.85 3nf3 s TRP 43 Cb -0.15 -1.26 0.02 0.00 -1.15 0.00 0.00 33.47 30.93 3nf3 s TRP 43 CO -0.11 0.45 -0.16 0.08 0.02 0.00 0.00 176.95 177.23 3nf3 s VAL 44 N -1.45 1.68 -0.41 4.03 1.01 0.43 -0.67 120.40 125.01 3nf3 s VAL 44 Ca 0.20 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 3nf3 s VAL 44 Cb -0.09 -1.54 0.11 0.00 0.00 0.00 0.00 36.38 34.86 3nf3 s VAL 44 CO 0.11 0.48 0.22 -0.63 0.00 0.00 0.00 175.10 175.28 3nf3 s ILE 45 N 1.18 3.53 -0.79 2.22 1.01 0.48 -1.53 121.20 127.29 3nf3 s ILE 45 Ca -0.01 -1.90 -0.06 0.00 0.00 0.00 0.00 60.65 58.67 3nf3 s ILE 45 Cb -0.14 -3.35 -0.10 0.00 0.01 0.00 0.00 42.46 38.88 3nf3 s ILE 45 CO -0.06 -0.65 2.46 -2.65 0.00 0.00 0.00 174.94 174.04 3nf3 n PRO 46 N 4.68 2.22 -4.05 2.79 -0.02 -1.26 -3.17 135.00 136.20 3nf3 n PRO 46 Ca -0.05 -1.39 -0.10 0.00 -2.02 0.00 0.00 63.50 59.94 3nf3 n PRO 46 Cb 0.41 -2.34 -0.11 0.00 -0.02 0.00 0.00 33.50 31.44 3nf3 n PRO 46 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3nf3 s GLU 47 N 2.61 0.50 0.24 -0.52 0.41 -1.26 -4.78 118.70 115.90 3nf3 s GLU 47 Ca 0.48 -0.86 -0.30 0.00 -0.41 0.00 0.00 54.97 53.88 3nf3 s GLU 47 Cb 0.15 -0.06 -0.10 0.00 -1.78 0.00 0.00 34.13 32.35 3nf3 s GLU 47 CO -0.03 -0.02 1.48 1.03 -0.49 0.00 0.00 175.26 177.23 3nf3 s ARG 48 N -2.21 4.24 -0.94 1.61 1.81 -1.26 -0.95 118.95 121.25 3nf3 s ARG 48 Ca -0.07 2.35 -0.24 0.00 -1.72 0.00 0.00 55.73 56.05 3nf3 s ARG 48 Cb -0.05 -3.10 0.03 0.00 -0.45 0.00 0.00 34.95 31.37 3nf3 s ARG 48 CO -0.02 -0.48 1.53 0.34 -0.68 0.00 0.00 175.30 175.99 3nf3 s ASP 49 N 0.49 6.14 -0.26 0.23 2.15 -0.51 -4.74 116.67 120.18 3nf3 s ASP 49 Ca 0.61 -1.07 0.11 0.00 0.43 0.00 0.00 52.55 52.63 3nf3 s ASP 49 Cb -0.43 -2.56 0.49 0.00 -0.30 0.00 0.00 42.92 40.12 3nf3 s ASP 49 CO 0.42 -1.83 1.42 0.35 -0.17 0.00 0.00 175.17 175.36 3nf3 n THR 50 N 7.01 2.45 0.04 1.71 -2.24 -1.26 -4.15 114.28 117.82 3nf3 n THR 50 Ca 0.29 -2.66 0.00 0.00 -2.27 0.00 0.00 64.05 59.41 3nf3 n THR 50 Cb 0.50 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 3nf3 n THR 50 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3nf3 n PHE 51 N -1.06 -0.10 0.20 4.78 3.72 -1.26 -4.49 117.46 119.24 3nf3 n PHE 51 Ca 0.29 0.02 0.04 0.00 -0.05 0.00 0.00 57.45 57.75 3nf3 n PHE 51 Cb 0.96 0.03 0.21 0.00 -0.94 0.00 0.00 39.48 39.75 3nf3 n PHE 51 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3nf3 h THR 52 N 0.00 0.00 -3.36 4.37 2.02 -1.89 -3.35 112.91 110.71 3nf3 h THR 52 Ca 0.00 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.72 3nf3 h THR 52 Cb 0.00 0.17 -0.35 0.00 -1.74 0.00 0.00 68.15 66.23 3nf3 h THR 52 CO 0.00 0.00 -0.79 0.21 0.37 0.00 0.00 175.52 175.31 3nf3 s ASN 53 N -3.08 1.50 0.16 4.18 3.84 -1.26 -5.01 114.94 115.27 3nf3 s ASN 53 Ca -0.01 -0.20 -0.11 0.00 0.21 0.00 0.00 52.86 52.75 3nf3 s ASN 53 Cb 0.02 -0.62 0.03 0.00 -0.55 0.00 0.00 41.25 40.13 3nf3 s ASN 53 CO 0.07 -0.07 1.61 -0.65 -2.79 0.00 0.00 177.10 175.27 3nf3 h PRO 54 N 7.53 0.92 0.00 0.43 0.11 -1.94 -2.37 132.00 136.69 3nf3 h PRO 54 Ca -0.32 -0.29 0.00 0.00 0.11 0.00 0.00 66.00 65.50 3nf3 h PRO 54 Cb 1.15 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3nf3 h PRO 54 CO 0.42 0.94 0.00 0.39 -0.21 0.00 0.00 178.00 179.55 3nf3 n GLU 55 N -4.29 0.78 -3.20 1.05 1.02 -1.26 -3.87 120.64 110.86 3nf3 n GLU 55 Ca 0.01 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.92 3nf3 n GLU 55 Cb 0.32 -1.16 -0.06 0.00 -0.02 0.00 0.00 31.44 30.52 3nf3 n GLU 55 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3nf3 n GLU 56 N -0.66 0.92 -0.94 3.49 1.02 -0.89 -4.91 120.64 118.67 3nf3 n GLU 56 Ca 0.06 -3.37 -0.01 0.00 -0.02 0.00 0.00 57.16 53.82 3nf3 n GLU 56 Cb 0.03 -1.40 0.16 0.00 -0.02 0.00 0.00 31.44 30.21 3nf3 n GLU 56 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3nf3 n GLY 57 N 1.10 5.44 3.24 0.62 0.00 -1.25 -4.27 105.19 110.07 3nf3 n GLY 57 Ca 0.23 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.51 3nf3 n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3nf3 s ASP 58 N -3.32 0.16 -0.36 1.61 1.01 -1.26 -5.01 116.67 109.50 3nf3 s ASP 58 Ca 0.41 -1.25 0.01 0.00 0.71 0.00 0.00 52.55 52.43 3nf3 s ASP 58 Cb 0.38 0.38 0.11 0.00 1.01 0.00 0.00 42.92 44.80 3nf3 s ASP 58 CO -0.04 -0.84 0.15 -0.76 0.21 0.00 0.00 175.17 173.88 3nf3 s LEU 59 N -3.10 2.63 -0.17 1.23 1.02 -1.26 -3.79 118.68 115.24 3nf3 s LEU 59 Ca 0.31 -2.05 -0.02 0.00 0.02 0.00 0.00 54.13 52.39 3nf3 s LEU 59 Cb 0.06 -0.99 -0.01 0.00 0.02 0.00 0.00 46.19 45.26 3nf3 s LEU 59 CO 0.08 -0.36 -0.08 -2.16 0.02 0.00 0.00 176.35 173.85 3nf3 s PRO 61 N 1.09 3.42 0.67 1.29 0.04 -1.26 -4.13 135.00 136.11 3nf3 s PRO 61 Ca 0.13 -0.64 -0.14 0.00 0.04 0.00 0.00 61.00 60.39 3nf3 s PRO 61 Cb -0.20 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.50 3nf3 s PRO 61 CO -0.14 0.03 1.09 -1.25 0.04 0.00 0.00 177.00 176.77 3nf3 s PRO 62 N 0.87 2.81 0.27 0.56 0.04 -1.26 -4.96 135.00 133.33 3nf3 s PRO 62 Ca -0.02 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.30 3nf3 s PRO 62 Cb -0.15 -1.96 0.60 0.00 0.04 0.00 0.00 34.50 33.03 3nf3 s PRO 62 CO 0.01 -1.23 1.66 -1.35 0.04 0.00 0.00 177.00 176.13 3nf3 h PRO 63 N -0.14 0.24 -0.63 0.56 0.11 -2.06 -1.77 132.00 128.31 3nf3 h PRO 63 Ca -0.46 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 3nf3 h PRO 63 Cb 1.24 -0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.18 3nf3 h PRO 63 CO 0.54 0.16 0.20 0.39 -0.21 0.00 0.00 178.00 179.08 3nf3 n GLU 64 N -5.19 3.32 -1.58 1.05 -0.58 -1.26 -5.02 120.64 111.38 3nf3 n GLU 64 Ca 0.18 -3.07 -0.40 0.00 -0.42 0.00 0.00 57.16 53.45 3nf3 n GLU 64 Cb 0.58 -2.11 0.02 0.00 -0.57 0.00 0.00 31.44 29.36 3nf3 n GLU 64 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3nf3 n ALA 65 N -0.37 -0.16 -1.69 0.62 0.00 -0.67 -4.98 120.51 113.26 3nf3 n ALA 65 Ca 0.38 0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.66 3nf3 n ALA 65 Cb 1.29 -2.02 0.09 0.00 0.00 0.00 0.00 19.45 18.80 3nf3 n ALA 65 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3nf3 s LYS 66 N -2.17 2.00 0.48 0.00 1.02 -1.26 -5.07 119.74 114.75 3nf3 s LYS 66 Ca 0.67 0.42 0.08 0.00 0.02 0.00 0.00 55.97 57.16 3nf3 s LYS 66 Cb -0.51 -1.93 0.03 0.00 -0.52 0.00 0.00 37.83 34.90 3nf3 s LYS 66 CO 0.54 -1.63 0.58 -0.65 -0.92 0.00 0.00 175.35 173.28 3nf3 s GLN 67 N -5.31 2.54 0.35 1.68 -1.52 -1.26 -4.46 119.66 111.69 3nf3 s GLN 67 Ca 0.61 -1.51 -0.27 0.00 -1.95 0.00 0.00 55.36 52.24 3nf3 s GLN 67 Cb -0.13 -2.58 -0.12 0.00 -0.22 0.00 0.00 33.01 29.96 3nf3 s GLN 67 CO 0.52 -0.47 1.26 0.28 -0.25 0.00 0.00 175.29 176.63 3nf3 n VAL 68 N -1.90 2.10 -1.05 1.09 0.31 -1.09 -1.04 118.33 116.74 3nf3 n VAL 68 Ca 0.08 -0.50 -0.03 0.00 -0.01 0.00 0.00 64.34 63.88 3nf3 n VAL 68 Cb 0.61 -1.52 0.31 0.00 -0.91 0.00 0.00 33.84 32.33 3nf3 n VAL 68 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3nf3 n PRO 69 N 0.47 3.68 -0.06 5.55 -0.04 -1.26 -4.89 135.00 138.45 3nf3 n PRO 69 Ca 0.05 -3.09 -0.09 0.00 -0.04 0.00 0.00 63.50 60.33 3nf3 n PRO 69 Cb 0.36 -2.17 -0.08 0.00 -0.04 0.00 0.00 33.50 31.57 3nf3 n PRO 69 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3nf3 h VAL 70 N 2.64 1.14 -2.28 0.52 2.07 -1.42 -3.46 116.25 115.46 3nf3 h VAL 70 Ca 0.22 -1.84 -0.56 0.00 0.82 0.00 0.00 66.70 65.34 3nf3 h VAL 70 Cb 2.19 2.15 -0.14 0.00 -1.52 0.00 0.00 31.29 33.98 3nf3 h VAL 70 CO 0.65 0.38 -0.68 -0.44 0.02 0.00 0.00 177.57 177.51 3nf3 s SER 71 N -5.96 3.27 -0.23 0.57 0.01 -0.83 -4.79 113.70 105.73 3nf3 s SER 71 Ca -0.12 -1.19 -0.18 0.00 1.31 0.00 0.00 55.95 55.78 3nf3 s SER 71 Cb -0.02 -0.26 0.06 0.00 0.21 0.00 0.00 66.02 66.01 3nf3 s SER 71 CO 0.44 -0.26 0.59 -0.47 0.41 0.00 0.00 173.24 173.95 3nf3 s TYR 72 N -2.79 -0.74 0.07 2.43 5.04 -1.26 -2.68 117.35 117.41 3nf3 s TYR 72 Ca 0.31 1.67 0.08 0.00 -2.44 0.00 0.00 57.07 56.69 3nf3 s TYR 72 Cb 0.03 0.33 -0.03 0.00 0.35 0.00 0.00 41.96 42.64 3nf3 s TYR 72 CO 0.14 -0.37 -0.21 0.71 -1.34 0.00 0.00 175.55 174.48 3nf3 s TYR 73 N 0.82 1.85 -0.31 4.97 1.51 -1.26 -1.01 117.35 123.92 3nf3 s TYR 73 Ca -0.04 -0.39 -0.12 0.00 -1.01 0.00 0.00 57.07 55.51 3nf3 s TYR 73 Cb -0.05 -1.07 0.19 0.00 -0.11 0.00 0.00 41.96 40.92 3nf3 s TYR 73 CO -0.06 0.15 1.10 0.34 -1.11 0.00 0.00 175.55 175.96 3nf3 s ASP 74 N -1.48 -0.19 0.00 2.29 -1.08 -1.26 -5.02 116.67 109.92 3nf3 s ASP 74 Ca 0.08 -0.09 0.04 0.00 -0.52 0.00 0.00 52.55 52.06 3nf3 s ASP 74 Cb -0.09 0.30 0.18 0.00 -1.46 0.00 0.00 42.92 41.85 3nf3 s ASP 74 CO 0.03 -0.02 1.08 -1.54 0.52 0.00 0.00 175.17 175.23 3nf3 n SER 75 N 3.72 0.00 0.16 -0.34 3.41 -1.26 -1.41 113.62 117.90 3nf3 n SER 75 Ca 0.05 0.42 0.11 0.00 -0.26 0.00 0.00 58.87 59.20 3nf3 n SER 75 Cb 0.64 -0.44 0.09 0.00 -0.26 0.00 0.00 64.21 64.23 3nf3 n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3nf3 h THR 76 N 0.00 0.04 -3.23 6.66 1.03 -1.95 -3.47 112.91 111.98 3nf3 h THR 76 Ca 0.00 -1.06 -0.53 0.00 -0.01 0.00 0.00 66.41 64.81 3nf3 h THR 76 Cb 0.06 1.80 0.04 0.00 -1.07 0.00 0.00 68.15 68.98 3nf3 h THR 76 CO 0.00 0.02 0.73 -0.47 -0.01 0.00 0.00 175.52 175.79 3nf3 s TYR 77 N -3.26 3.15 -0.86 0.00 5.04 -0.50 -3.08 117.35 117.84 3nf3 s TYR 77 Ca 0.03 1.03 -0.05 0.00 -2.44 0.00 0.00 57.07 55.64 3nf3 s TYR 77 Cb 0.07 -3.73 0.01 0.00 0.35 0.00 0.00 41.96 38.66 3nf3 s TYR 77 CO 0.73 -2.44 0.75 1.28 -1.34 0.00 0.00 175.55 174.53 3nf3 n LEU 78 N 2.98 -2.91 -0.07 6.97 4.77 -1.26 -4.84 117.00 122.64 3nf3 n LEU 78 Ca 0.08 -0.34 0.03 0.00 -0.03 0.00 0.00 56.01 55.75 3nf3 n LEU 78 Cb 0.41 -2.11 -0.01 0.00 -2.33 0.00 0.00 43.42 39.38 3nf3 n LEU 78 CO 0.59 0.41 0.09 -1.54 -1.33 0.00 0.00 177.39 175.61 3nf3 n SER 79 N -1.39 0.60 -4.64 -1.43 3.41 -1.18 -4.58 113.62 104.41 3nf3 n SER 79 Ca -0.00 -0.80 -0.24 0.00 -0.26 0.00 0.00 58.87 57.57 3nf3 n SER 79 Cb 0.54 0.72 -0.08 0.00 -0.26 0.00 0.00 64.21 65.13 3nf3 n SER 79 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3nf3 s THR 80 N -1.22 2.99 0.30 6.66 -4.23 -1.26 -5.04 115.64 113.84 3nf3 s THR 80 Ca 0.03 -1.94 0.06 0.00 -1.18 0.00 0.00 61.69 58.67 3nf3 s THR 80 Cb 0.04 -2.80 0.06 0.00 1.34 0.00 0.00 72.50 71.14 3nf3 s THR 80 CO 0.18 -0.28 1.73 0.44 -0.54 0.00 0.00 174.62 176.15 3nf3 h ASP 81 N 1.83 0.29 -0.71 3.99 3.32 -1.99 -2.23 116.42 120.92 3nf3 h ASP 81 Ca -0.43 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.50 3nf3 h ASP 81 Cb 1.25 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 3nf3 h ASP 81 CO 0.63 0.62 0.39 0.78 -1.72 0.00 0.00 179.24 179.94 3nf3 h ASN 82 N 0.25 0.89 -0.36 6.45 -0.26 -1.99 0.21 115.58 120.78 3nf3 h ASN 82 Ca 0.03 -0.10 -0.05 0.00 -0.56 0.00 0.00 56.30 55.63 3nf3 h ASN 82 Cb 0.73 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.75 3nf3 h ASN 82 CO 0.06 0.73 0.04 -0.33 -1.06 0.00 0.00 177.43 176.87 3nf3 h GLU 83 N 0.98 0.60 -0.64 0.81 5.08 -1.92 -1.28 114.58 118.22 3nf3 h GLU 83 Ca 0.25 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3nf3 h GLU 83 Cb 0.04 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3nf3 h GLU 83 CO -0.04 0.69 0.19 0.87 -1.00 0.00 0.00 179.01 179.72 3nf3 h LYS 84 N 0.43 0.99 -0.66 2.33 1.57 -1.24 0.36 116.57 120.36 3nf3 h LYS 84 Ca 0.11 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3nf3 h LYS 84 Cb 0.39 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 3nf3 h LYS 84 CO 0.01 0.88 0.40 0.22 -0.57 0.00 0.00 179.45 180.39 3nf3 h ASP 85 N 0.92 0.79 -0.35 0.86 3.58 -0.87 0.71 116.42 122.06 3nf3 h ASP 85 Ca 0.20 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.54 3nf3 h ASP 85 Cb 0.30 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 3nf3 h ASP 85 CO -0.01 0.62 0.01 -1.13 -2.88 0.00 0.00 179.24 175.85 3nf3 h ASN 86 N 0.90 0.60 -0.33 2.28 -1.24 -0.72 -1.05 115.58 116.02 3nf3 h ASN 86 Ca 0.24 -0.30 0.04 0.00 0.71 0.00 0.00 56.30 56.98 3nf3 h ASN 86 Cb -0.04 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 38.82 3nf3 h ASN 86 CO -0.05 0.76 0.11 0.22 -1.29 0.00 0.00 177.43 177.18 3nf3 h TYR 87 N 0.43 0.19 -0.15 0.67 3.20 -0.03 0.17 116.97 121.45 3nf3 h TYR 87 Ca 0.10 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.99 3nf3 h TYR 87 Cb 0.45 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3nf3 h TYR 87 CO 0.04 0.07 0.08 1.25 -1.64 0.00 0.00 178.16 177.96 3nf3 h LEU 88 N 0.24 0.14 -1.26 2.82 5.85 -0.67 -1.45 115.31 120.98 3nf3 h LEU 88 Ca 0.15 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 3nf3 h LEU 88 Cb 0.13 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3nf3 h LEU 88 CO -0.16 0.10 -0.34 0.11 -0.34 0.00 0.00 178.44 177.81 3nf3 h LYS 89 N 0.18 0.00 0.04 1.25 1.57 -0.94 -1.80 116.57 116.88 3nf3 h LYS 89 Ca 0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3nf3 h LYS 89 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3nf3 h LYS 89 CO -0.03 0.34 -0.02 0.78 -0.57 0.00 0.00 179.45 179.95 3nf3 h GLY 90 N 1.37 -0.06 0.75 3.86 0.00 -0.54 -2.03 103.07 106.42 3nf3 h GLY 90 Ca -0.00 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.39 3nf3 h GLY 90 CO 0.04 -0.02 0.36 -2.08 0.00 0.00 0.00 176.54 174.84 3nf3 h VAL 91 N -0.48 1.00 -0.16 4.60 2.07 -1.17 -1.92 116.25 120.19 3nf3 h VAL 91 Ca -0.01 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.33 3nf3 h VAL 91 Cb 0.43 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 3nf3 h VAL 91 CO 0.01 0.12 -0.12 0.74 0.02 0.00 0.00 177.57 178.34 3nf3 h THR 92 N 0.68 0.65 -0.79 2.57 2.02 -1.33 -1.88 112.91 114.82 3nf3 h THR 92 Ca 0.27 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.55 3nf3 h THR 92 Cb 0.12 0.65 -0.07 0.00 -1.74 0.00 0.00 68.15 67.11 3nf3 h THR 92 CO -0.15 0.00 0.43 0.50 0.37 0.00 0.00 175.52 176.67 3nf3 h LYS 93 N -0.13 0.69 -0.27 6.66 3.64 -0.84 -1.72 116.57 124.60 3nf3 h LYS 93 Ca 0.10 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 3nf3 h LYS 93 Cb 0.28 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3nf3 h LYS 93 CO -0.24 0.46 -0.36 -0.07 -2.27 0.00 0.00 179.45 176.97 3nf3 h LEU 94 N 0.71 0.63 -0.54 5.20 3.38 -0.92 0.14 115.31 123.91 3nf3 h LEU 94 Ca 0.39 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3nf3 h LEU 94 Cb 0.40 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3nf3 h LEU 94 CO -0.27 0.93 0.30 -0.26 0.09 0.00 0.00 178.44 179.24 3nf3 h PHE 95 N 0.51 0.74 -0.69 1.13 0.04 -0.75 0.51 116.94 118.42 3nf3 h PHE 95 Ca 0.05 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.74 3nf3 h PHE 95 Cb 0.86 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.74 3nf3 h PHE 95 CO 0.04 0.53 0.15 0.93 -0.60 0.00 0.00 178.31 179.36 3nf3 h GLU 96 N 0.73 1.11 -0.59 1.51 4.39 -0.90 0.11 114.58 120.94 3nf3 h GLU 96 Ca 0.19 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 3nf3 h GLU 96 Cb 0.04 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 3nf3 h GLU 96 CO -0.03 0.99 0.17 -0.09 -1.16 0.00 0.00 179.01 178.89 3nf3 h ARG 97 N 1.05 0.93 -0.24 2.33 2.43 -0.64 0.16 114.38 120.40 3nf3 h ARG 97 Ca 0.22 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 3nf3 h ARG 97 Cb 0.39 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3nf3 h ARG 97 CO 0.01 0.84 -0.08 0.82 -1.51 0.00 0.00 179.97 180.05 3nf3 h ILE 98 N 0.85 1.29 0.00 1.20 2.04 -0.67 -3.12 117.51 119.09 3nf3 h ILE 98 Ca 0.19 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 3nf3 h ILE 98 Cb 0.31 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3nf3 h ILE 98 CO -0.00 0.35 -0.20 0.22 0.00 0.00 0.00 178.15 178.52 3nf3 h TYR 99 N 0.22 0.00 0.00 1.37 3.20 -0.58 -2.41 116.97 118.77 3nf3 h TYR 99 Ca 0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3nf3 h TYR 99 Cb 0.56 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.83 3nf3 h TYR 99 CO 0.06 0.20 0.00 -1.13 -1.64 0.00 0.00 178.16 175.64 3nf3 n SER 100 N -4.28 0.00 -4.89 -2.11 3.41 0.03 -3.66 113.62 102.12 3nf3 n SER 100 Ca -0.02 0.40 -0.32 0.00 -0.26 0.00 0.00 58.87 58.66 3nf3 n SER 100 Cb 0.26 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.72 3nf3 n SER 100 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3nf3 s THR 101 N -2.89 5.30 0.22 6.66 -4.23 -0.91 -4.99 115.64 114.80 3nf3 s THR 101 Ca 0.07 -0.30 -0.09 0.00 -1.18 0.00 0.00 61.69 60.20 3nf3 s THR 101 Cb 0.08 -3.51 0.16 0.00 1.34 0.00 0.00 72.50 70.57 3nf3 s THR 101 CO 0.21 0.25 1.84 0.44 -0.54 0.00 0.00 174.62 176.82 3nf3 h ASP 102 N 3.56 0.70 0.01 3.99 3.32 -1.86 0.38 116.42 126.52 3nf3 h ASP 102 Ca -0.47 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 3nf3 h ASP 102 Cb 1.18 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3nf3 h ASP 102 CO 0.71 0.46 -0.01 0.25 -1.72 0.00 0.00 179.24 178.93 3nf3 h LEU 103 N 0.83 -0.01 -0.60 1.55 5.85 -1.93 -2.30 115.31 118.69 3nf3 h LEU 103 Ca 0.31 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 3nf3 h LEU 103 Cb 0.11 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3nf3 h LEU 103 CO -0.15 0.03 0.24 1.23 -0.34 0.00 0.00 178.44 179.46 3nf3 h GLY 104 N -0.06 0.97 0.18 3.75 0.00 -1.51 -1.18 103.07 105.23 3nf3 h GLY 104 Ca -0.00 -0.53 0.13 0.00 0.00 0.00 0.00 47.33 46.93 3nf3 h GLY 104 CO 0.00 0.50 0.26 -0.09 0.00 0.00 0.00 176.54 177.21 3nf3 h ARG 105 N 0.84 0.39 0.04 4.80 2.43 -0.17 0.01 114.38 122.73 3nf3 h ARG 105 Ca 0.20 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3nf3 h ARG 105 Cb 0.21 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3nf3 h ARG 105 CO -0.02 0.26 -0.02 0.52 -1.51 0.00 0.00 179.97 179.21 3nf3 h MET 106 N 0.41 -0.05 -0.55 0.20 2.86 -0.89 -2.26 114.93 114.64 3nf3 h MET 106 Ca 0.38 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 58.13 3nf3 h MET 106 Cb 0.57 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.17 3nf3 h MET 106 CO -0.39 0.39 0.12 1.25 1.06 0.00 0.00 176.91 179.33 3nf3 h LEU 107 N -0.52 0.01 -1.28 1.22 5.85 -1.04 0.83 115.31 120.38 3nf3 h LEU 107 Ca -0.01 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 3nf3 h LEU 107 Cb 0.47 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3nf3 h LEU 107 CO 0.01 0.02 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.95 3nf3 h LEU 108 N 0.25 0.33 -0.23 2.25 3.38 -0.99 -1.10 115.31 119.21 3nf3 h LEU 108 Ca 0.28 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 58.01 3nf3 h LEU 108 Cb 0.39 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3nf3 h LEU 108 CO -0.36 0.48 -0.51 0.74 0.09 0.00 0.00 178.44 178.88 3nf3 h THR 109 N 0.33 1.30 -0.39 0.22 2.02 -0.65 -1.61 112.91 114.13 3nf3 h THR 109 Ca 0.07 -1.72 -0.02 0.00 0.77 0.00 0.00 66.41 65.51 3nf3 h THR 109 Cb 0.40 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 3nf3 h THR 109 CO 0.02 0.55 0.14 0.28 0.37 0.00 0.00 175.52 176.88 3nf3 h SER 110 N 0.48 0.50 -0.15 4.18 0.02 -0.50 -1.24 113.55 116.83 3nf3 h SER 110 Ca 0.00 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 3nf3 h SER 110 Cb 1.12 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.53 3nf3 h SER 110 CO 0.11 0.47 -0.17 0.40 -1.14 0.00 0.00 176.83 176.50 3nf3 h ILE 111 N 0.55 1.35 -0.69 3.27 2.04 -1.01 -1.09 117.51 121.93 3nf3 h ILE 111 Ca 0.13 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.62 3nf3 h ILE 111 Cb 0.14 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 3nf3 h ILE 111 CO -0.01 0.40 0.31 0.58 0.00 0.00 0.00 178.15 179.42 3nf3 h VAL 112 N 0.02 1.23 0.00 1.67 2.07 -1.12 -2.09 116.25 118.03 3nf3 h VAL 112 Ca 0.02 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3nf3 h VAL 112 Cb 0.71 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3nf3 h VAL 112 CO 0.04 0.28 0.00 0.03 0.02 0.00 0.00 177.57 177.94 3nf3 h ARG 113 N 0.98 0.00 -1.99 1.57 3.08 -1.12 -3.37 114.38 113.53 3nf3 h ARG 113 Ca 0.24 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.12 3nf3 h ARG 113 Cb 0.13 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.12 3nf3 h ARG 113 CO -0.03 0.00 -0.24 0.41 -1.07 0.00 0.00 179.97 179.05 3nf3 n GLY 114 N 0.50 2.98 3.69 0.04 0.00 -0.42 -4.51 105.19 107.46 3nf3 n GLY 114 Ca 0.02 -0.95 -0.44 0.00 0.00 0.00 0.00 46.02 44.64 3nf3 n GLY 114 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3nf3 n ILE 115 N 2.12 0.14 -1.71 -0.61 5.41 -1.26 -4.73 119.36 118.73 3nf3 n ILE 115 Ca 0.33 -0.03 -0.43 0.00 1.00 0.00 0.00 62.75 63.62 3nf3 n ILE 115 Cb 0.79 -1.83 -0.03 0.00 -0.71 0.00 0.00 39.64 37.87 3nf3 n ILE 115 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3nf3 n PRO 116 N 4.41 2.41 -1.71 0.38 -0.02 -1.26 -4.90 135.00 134.31 3nf3 n PRO 116 Ca 0.18 0.86 -0.38 0.00 -2.02 0.00 0.00 63.50 62.14 3nf3 n PRO 116 Cb 0.32 -2.61 0.06 0.00 -0.02 0.00 0.00 33.50 31.25 3nf3 n PRO 116 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3nf3 n PHE 117 N 2.52 1.85 -2.24 6.00 7.35 0.27 -4.89 117.46 128.33 3nf3 n PHE 117 Ca 0.12 0.43 -0.42 0.00 -0.76 0.00 0.00 57.45 56.81 3nf3 n PHE 117 Cb 0.34 -2.28 0.00 0.00 0.35 0.00 0.00 39.48 37.89 3nf3 n PHE 117 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 3nf3 n TRP 118 N -1.57 2.98 -1.46 -5.13 7.02 -1.26 -4.63 117.44 113.39 3nf3 n TRP 118 Ca 0.14 -2.81 -0.06 0.00 -1.02 0.00 0.00 57.50 53.75 3nf3 n TRP 118 Cb 0.47 -2.02 0.20 0.00 -2.42 0.00 0.00 31.31 27.53 3nf3 n TRP 118 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3nf3 n GLY 119 N 2.93 4.92 1.58 6.99 0.00 -1.17 -3.08 105.19 117.36 3nf3 n GLY 119 Ca 0.42 -1.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.17 3nf3 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nf3 n GLY 120 N -1.13 2.95 3.62 -0.02 0.00 -0.33 -4.94 105.19 105.34 3nf3 n GLY 120 Ca 0.35 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 3nf3 n GLY 120 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3nf3 s SER 121 N -0.51 4.61 0.06 1.61 0.15 -1.26 -4.86 113.70 113.50 3nf3 s SER 121 Ca 0.37 -0.34 -0.11 0.00 0.70 0.00 0.00 55.95 56.57 3nf3 s SER 121 Cb 0.29 -0.95 -0.28 0.00 -1.71 0.00 0.00 66.02 63.37 3nf3 s SER 121 CO 0.09 0.16 1.12 0.74 1.20 0.00 0.00 173.24 176.55 3nf3 h THR 122 N 3.02 1.36 -3.37 6.45 2.02 -1.92 -3.43 112.91 117.04 3nf3 h THR 122 Ca -0.48 -2.68 -0.53 0.00 0.77 0.00 0.00 66.41 63.49 3nf3 h THR 122 Cb 1.17 2.81 -0.01 0.00 -1.74 0.00 0.00 68.15 70.38 3nf3 h THR 122 CO 0.55 0.80 0.46 -0.63 0.37 0.00 0.00 175.52 177.07 3nf3 s ILE 123 N -2.84 4.35 -0.99 3.11 1.01 -1.26 -4.94 121.20 119.64 3nf3 s ILE 123 Ca -0.07 1.76 0.29 0.00 0.00 0.00 0.00 60.65 62.63 3nf3 s ILE 123 Cb 0.06 -4.13 0.24 0.00 0.01 0.00 0.00 42.46 38.64 3nf3 s ILE 123 CO 0.92 0.18 1.91 -0.90 0.00 0.00 0.00 174.94 177.05 3nf3 n ASP 124 N 3.53 0.04 -1.15 3.58 5.75 -1.26 -2.57 116.55 124.47 3nf3 n ASP 124 Ca 0.06 0.49 0.12 0.00 -0.01 0.00 0.00 54.79 55.45 3nf3 n ASP 124 Cb 0.48 -0.49 0.24 0.00 -1.03 0.00 0.00 41.12 40.32 3nf3 n ASP 124 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3nf3 n THR 125 N -1.53 0.54 -4.61 2.12 -2.24 -1.26 -4.68 114.28 102.61 3nf3 n THR 125 Ca 0.07 -0.75 -0.33 0.00 -2.27 0.00 0.00 64.05 60.77 3nf3 n THR 125 Cb 0.34 0.89 -0.14 0.00 -2.10 0.00 0.00 70.33 69.33 3nf3 n THR 125 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3nf3 s GLU 126 N -1.46 3.49 -0.30 -0.78 2.12 -1.06 0.43 118.70 121.14 3nf3 s GLU 126 Ca 0.40 -0.63 -0.17 0.00 0.36 0.00 0.00 54.97 54.93 3nf3 s GLU 126 Cb 0.23 -2.74 -0.02 0.00 0.26 0.00 0.00 34.13 31.85 3nf3 s GLU 126 CO 0.32 0.21 0.47 -0.51 -0.54 0.00 0.00 175.26 175.21 3nf3 s LEU 127 N 0.39 4.16 -0.03 2.70 1.43 0.34 -4.60 118.68 123.07 3nf3 s LEU 127 Ca -0.08 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 3nf3 s LEU 127 Cb -0.15 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.51 3nf3 s LEU 127 CO 0.04 -0.33 -0.06 -0.75 0.23 0.00 0.00 176.35 175.48 3nf3 s LYS 128 N 2.27 0.76 0.43 1.70 2.20 -1.18 -1.26 119.74 124.67 3nf3 s LYS 128 Ca 0.18 -0.20 -0.24 0.00 -0.36 0.00 0.00 55.97 55.36 3nf3 s LYS 128 Cb -0.16 -0.74 -0.08 0.00 -1.51 0.00 0.00 37.83 35.34 3nf3 s LYS 128 CO 0.11 0.04 1.18 0.54 -0.36 0.00 0.00 175.35 176.86 3nf3 s VAL 129 N 0.38 3.06 -0.10 4.02 0.11 -1.26 -1.18 120.40 125.43 3nf3 s VAL 129 Ca -0.05 0.85 -0.25 0.00 -2.93 0.00 0.00 61.98 59.60 3nf3 s VAL 129 Cb -0.09 -3.46 -0.03 0.00 -1.53 0.00 0.00 36.38 31.27 3nf3 s VAL 129 CO 0.00 0.04 0.80 -0.63 -3.33 0.00 0.00 175.10 171.98 3nf3 s ILE 130 N -1.45 4.95 0.45 7.04 1.01 -1.26 -4.62 121.20 127.32 3nf3 s ILE 130 Ca 0.60 1.62 0.11 0.00 0.00 0.00 0.00 60.65 62.98 3nf3 s ILE 130 Cb -0.31 -4.12 0.24 0.00 0.01 0.00 0.00 42.46 38.28 3nf3 s ILE 130 CO 0.38 0.14 2.07 -2.24 0.00 0.00 0.00 174.94 175.29 3nf3 h ASP 131 N 7.01 0.22 0.10 3.58 2.03 -1.96 -0.66 116.42 126.76 3nf3 h ASP 131 Ca -0.36 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 3nf3 h ASP 131 Cb 1.17 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 3nf3 h ASP 131 CO 0.79 0.21 0.00 0.35 -1.03 0.00 0.00 179.24 179.56 3nf3 n THR 132 N -4.46 0.16 -0.55 1.15 -2.24 -1.26 -1.46 114.28 105.62 3nf3 n THR 132 Ca -0.00 0.04 0.10 0.00 -2.27 0.00 0.00 64.05 61.91 3nf3 n THR 132 Cb 0.12 -0.75 0.33 0.00 -2.10 0.00 0.00 70.33 67.93 3nf3 n THR 132 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3nf3 n ASN 133 N -1.09 4.42 -4.44 3.42 3.02 -0.25 -4.61 115.26 115.72 3nf3 n ASN 133 Ca 0.12 -2.33 -0.21 0.00 -0.03 0.00 0.00 54.58 52.12 3nf3 n ASN 133 Cb 0.09 -0.53 -0.11 0.00 -0.61 0.00 0.00 39.78 38.62 3nf3 n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3nf3 s ILE 135 N -3.22 2.16 -0.26 0.00 -4.36 -0.38 -4.66 121.20 110.48 3nf3 s ILE 135 Ca 0.34 -1.90 -0.20 0.00 -0.26 0.00 0.00 60.65 58.64 3nf3 s ILE 135 Cb 0.07 -1.98 -0.02 0.00 1.25 0.00 0.00 42.46 41.79 3nf3 s ILE 135 CO 0.14 -0.10 0.61 0.20 0.24 0.00 0.00 174.94 176.03 3nf3 s ASN 136 N -2.45 6.54 -0.20 4.36 0.01 -1.03 -1.01 114.94 121.17 3nf3 s ASN 136 Ca 0.17 0.63 -0.08 0.00 -0.71 0.00 0.00 52.86 52.87 3nf3 s ASN 136 Cb -0.08 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 3nf3 s ASN 136 CO 0.08 -0.37 0.08 -0.69 -1.51 0.00 0.00 177.10 174.68 3nf3 s VAL 137 N 2.49 4.80 0.17 1.60 1.01 0.37 -1.02 120.40 129.82 3nf3 s VAL 137 Ca 0.25 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 3nf3 s VAL 137 Cb -0.15 -3.18 -0.08 0.00 0.00 0.00 0.00 36.38 32.96 3nf3 s VAL 137 CO 0.09 0.43 1.22 -0.63 0.00 0.00 0.00 175.10 176.21 3nf3 s ILE 138 N 0.65 3.55 0.37 2.22 1.01 -0.40 -0.66 121.20 127.94 3nf3 s ILE 138 Ca 0.04 1.27 0.08 0.00 0.00 0.00 0.00 60.65 62.03 3nf3 s ILE 138 Cb -0.13 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 3nf3 s ILE 138 CO 0.01 0.18 0.27 -1.10 0.00 0.00 0.00 174.94 174.31 3nf3 s GLN 139 N -0.02 2.53 0.56 2.79 -0.21 0.14 -4.76 119.66 120.69 3nf3 s GLN 139 Ca 0.55 -1.48 0.30 0.00 0.02 0.00 0.00 55.36 54.74 3nf3 s GLN 139 Cb -0.33 -2.32 1.46 0.00 1.00 0.00 0.00 33.01 32.82 3nf3 s GLN 139 CO 0.36 -0.01 1.87 -1.35 -2.12 0.00 0.00 175.29 174.04 3nf3 h PRO 140 N 1.27 0.00 -0.14 2.91 0.11 -1.97 0.99 132.00 135.18 3nf3 h PRO 140 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3nf3 h PRO 140 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3nf3 h PRO 140 CO 0.60 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.14 3nf3 n ASP 141 N -4.01 2.16 0.00 -2.05 8.00 -1.26 -4.89 116.55 114.50 3nf3 n ASP 141 Ca 0.15 -1.75 0.00 0.00 0.71 0.00 0.00 54.79 53.90 3nf3 n ASP 141 Cb 0.87 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 3nf3 n ASP 141 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3nf3 n GLY 142 N 1.25 0.76 3.86 0.44 0.00 0.34 -5.05 105.19 106.79 3nf3 n GLY 142 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3nf3 n GLY 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3nf3 s SER 143 N -2.54 6.60 0.04 1.61 1.04 -1.25 -4.79 113.70 114.41 3nf3 s SER 143 Ca 0.00 1.34 0.01 0.00 0.48 0.00 0.00 55.95 57.78 3nf3 s SER 143 Cb 0.00 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.67 3nf3 s SER 143 CO 0.00 -0.45 0.11 -0.72 0.98 0.00 0.00 173.24 173.16 3nf3 s TYR 144 N -2.43 3.31 -0.05 5.02 -0.85 -1.26 0.24 117.35 121.33 3nf3 s TYR 144 Ca 0.55 0.17 0.06 0.00 -0.52 0.00 0.00 57.07 57.33 3nf3 s TYR 144 Cb -0.10 -1.70 -0.01 0.00 0.38 0.00 0.00 41.96 40.53 3nf3 s TYR 144 CO 0.29 0.55 -0.24 -0.98 -1.52 0.00 0.00 175.55 173.65 3nf3 s ARG 145 N -2.18 2.48 0.12 -3.49 1.70 0.17 -4.89 118.95 112.85 3nf3 s ARG 145 Ca 0.28 -0.90 -0.30 0.00 -0.47 0.00 0.00 55.73 54.35 3nf3 s ARG 145 Cb -0.12 -2.16 -0.06 0.00 -0.57 0.00 0.00 34.95 32.04 3nf3 s ARG 145 CO 0.21 0.42 0.97 -1.12 -1.08 0.00 0.00 175.30 174.70 3nf3 s SER 146 N -0.27 7.48 -0.05 -2.89 0.01 -1.26 -0.48 113.70 116.25 3nf3 s SER 146 Ca -0.00 1.82 0.02 0.00 1.31 0.00 0.00 55.95 59.09 3nf3 s SER 146 Cb -0.13 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.53 3nf3 s SER 146 CO 0.03 -0.07 -0.08 -0.70 0.41 0.00 0.00 173.24 172.83 3nf3 s GLU 147 N -0.05 1.14 0.33 12.44 2.12 -0.18 -4.96 118.70 129.55 3nf3 s GLU 147 Ca 0.47 -0.24 -0.29 0.00 0.36 0.00 0.00 54.97 55.28 3nf3 s GLU 147 Cb -0.24 -1.03 -0.10 0.00 0.26 0.00 0.00 34.13 33.02 3nf3 s GLU 147 CO 0.30 -0.02 1.29 -1.21 -0.54 0.00 0.00 175.26 175.09 3nf3 s GLU 148 N 0.73 4.35 0.09 4.30 2.02 -1.26 -1.25 118.70 127.68 3nf3 s GLU 148 Ca -0.12 2.18 -0.12 0.00 0.02 0.00 0.00 54.97 56.93 3nf3 s GLU 148 Cb -0.14 -3.06 0.01 0.00 0.10 0.00 0.00 34.13 31.04 3nf3 s GLU 148 CO 0.02 -0.18 0.28 -0.48 0.02 0.00 0.00 175.26 174.91 3nf3 s LEU 149 N -1.82 1.00 -0.17 1.80 2.34 -1.15 -4.79 118.68 115.89 3nf3 s LEU 149 Ca 0.49 -0.46 0.12 0.00 0.06 0.00 0.00 54.13 54.34 3nf3 s LEU 149 Cb -0.39 1.35 -0.19 0.00 -0.56 0.00 0.00 46.19 46.40 3nf3 s LEU 149 CO 0.52 -0.75 0.01 0.59 -1.06 0.00 0.00 176.35 175.66 3nf3 n ASN 150 N 0.00 1.24 -3.71 1.48 4.13 -0.14 -4.62 115.26 113.64 3nf3 n ASN 150 Ca -0.16 -0.02 -0.12 0.00 1.68 0.00 0.00 54.58 55.96 3nf3 n ASN 150 Cb 0.62 0.65 -0.12 0.00 -1.54 0.00 0.00 39.78 39.39 3nf3 n ASN 150 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3nf3 s LEU 151 N -5.42 0.21 -0.11 3.41 2.96 -1.01 -1.32 118.68 117.39 3nf3 s LEU 151 Ca -0.12 0.67 0.03 0.00 -0.22 0.00 0.00 54.13 54.48 3nf3 s LEU 151 Cb 0.05 0.97 0.01 0.00 0.50 0.00 0.00 46.19 47.72 3nf3 s LEU 151 CO 0.63 -0.18 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.58 3nf3 s VAL 152 N 1.34 1.95 -0.25 1.68 1.01 0.20 -1.22 120.40 125.10 3nf3 s VAL 152 Ca -0.09 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 60.81 3nf3 s VAL 152 Cb -0.10 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3nf3 s VAL 152 CO -0.10 0.53 0.34 -0.63 0.00 0.00 0.00 175.10 175.24 3nf3 s ILE 153 N 0.62 5.21 0.08 2.22 -1.09 0.15 -0.43 121.20 127.95 3nf3 s ILE 153 Ca -0.13 0.53 0.05 0.00 -2.23 0.00 0.00 60.65 58.87 3nf3 s ILE 153 Cb -0.17 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 3nf3 s ILE 153 CO 0.03 0.20 -0.12 -0.51 -1.23 0.00 0.00 174.94 173.31 3nf3 s ILE 154 N 1.77 1.02 0.72 2.92 2.07 -0.33 -0.39 121.20 128.97 3nf3 s ILE 154 Ca 0.15 -1.38 -0.16 0.00 -1.41 0.00 0.00 60.65 57.85 3nf3 s ILE 154 Cb -0.15 -1.10 0.03 0.00 0.13 0.00 0.00 42.46 41.36 3nf3 s ILE 154 CO 0.09 -0.33 1.25 -0.83 -1.91 0.00 0.00 174.94 173.21 3nf3 s GLY 155 N -1.92 2.54 0.89 1.50 0.00 -0.12 -1.24 107.32 108.96 3nf3 s GLY 155 Ca -0.01 1.04 -0.11 0.00 0.00 0.00 0.00 44.72 45.64 3nf3 s GLY 155 CO 0.02 1.46 1.09 2.56 0.00 0.00 0.00 173.10 178.23 3nf3 s PRO 156 N -3.72 1.31 0.00 2.90 0.04 -1.26 -1.42 135.00 132.86 3nf3 s PRO 156 Ca 0.78 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.84 3nf3 s PRO 156 Cb -0.33 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3nf3 s PRO 156 CO 0.44 -2.26 0.00 0.45 0.04 0.00 0.00 177.00 175.68 3nf3 n SER 157 N -3.92 0.00 -0.14 6.66 2.88 -1.26 -1.87 113.62 115.97 3nf3 n SER 157 Ca 0.08 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.55 3nf3 n SER 157 Cb 0.54 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.00 3nf3 n SER 157 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3nf3 h ALA 158 N -1.98 -0.11 -1.60 -1.46 0.00 -1.85 -3.34 119.26 108.93 3nf3 h ALA 158 Ca 0.00 0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.48 3nf3 h ALA 158 Cb 0.00 0.69 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 3nf3 h ALA 158 CO 0.00 -0.69 0.98 0.34 0.00 0.00 0.00 179.25 179.88 3nf3 s ASP 159 N -5.10 6.46 0.54 0.00 -1.08 -1.26 -4.45 116.67 111.78 3nf3 s ASP 159 Ca -0.15 0.16 0.21 0.00 -0.52 0.00 0.00 52.55 52.25 3nf3 s ASP 159 Cb 0.14 -2.55 1.43 0.00 -1.46 0.00 0.00 42.92 40.48 3nf3 s ASP 159 CO 0.68 -1.46 2.17 0.40 0.52 0.00 0.00 175.17 177.48 3nf3 h ILE 160 N 6.18 0.84 -0.33 4.11 2.04 -1.20 -2.55 117.51 126.60 3nf3 h ILE 160 Ca -0.25 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3nf3 h ILE 160 Cb 1.06 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 3nf3 h ILE 160 CO 1.18 0.02 0.00 2.30 0.00 0.00 0.00 178.15 181.65 3nf3 n ILE 161 N -4.25 1.96 -1.91 -0.67 -5.35 -1.26 -4.68 119.36 103.20 3nf3 n ILE 161 Ca -0.03 -1.58 -0.42 0.00 -0.27 0.00 0.00 62.75 60.45 3nf3 n ILE 161 Cb 0.11 -0.04 -0.00 0.00 -1.74 0.00 0.00 39.64 37.97 3nf3 n ILE 161 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 3nf3 n GLN 162 N -0.07 3.38 -2.12 6.28 7.27 -0.96 -4.98 117.38 126.17 3nf3 n GLN 162 Ca 0.20 -2.94 -0.41 0.00 0.07 0.00 0.00 57.00 53.91 3nf3 n GLN 162 Cb 0.79 -3.04 -0.02 0.00 2.41 0.00 0.00 30.24 30.37 3nf3 n GLN 162 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 3nf3 s PHE 163 N 1.71 3.09 -0.21 3.69 0.08 -1.26 -4.86 117.98 120.21 3nf3 s PHE 163 Ca 0.48 1.34 -0.35 0.00 0.12 0.00 0.00 56.93 58.52 3nf3 s PHE 163 Cb 0.13 -3.68 0.15 0.00 -0.57 0.00 0.00 43.02 39.05 3nf3 s PHE 163 CO -0.05 -1.94 1.25 -1.83 -0.10 0.00 0.00 175.22 172.54 3nf3 s GLU 164 N -1.36 0.25 -0.19 0.44 -1.05 -0.98 -5.00 118.70 110.81 3nf3 s GLU 164 Ca 0.51 -0.07 -0.17 0.00 -0.15 0.00 0.00 54.97 55.08 3nf3 s GLU 164 Cb -0.39 0.11 -0.04 0.00 -0.44 0.00 0.00 34.13 33.37 3nf3 s GLU 164 CO 0.49 -0.10 0.46 0.00 0.95 0.00 0.00 175.26 177.06 3nf3 s LYS 166 N 1.32 1.22 0.02 0.00 1.02 0.12 -4.95 119.74 118.49 3nf3 s LYS 166 Ca 0.22 -1.08 -0.12 0.00 0.02 0.00 0.00 55.97 55.02 3nf3 s LYS 166 Cb -0.15 -1.43 0.01 0.00 -0.52 0.00 0.00 37.83 35.74 3nf3 s LYS 166 CO 0.09 0.35 0.24 -1.54 -0.92 0.00 0.00 175.35 173.57 3nf3 s SER 167 N -1.64 -0.07 0.32 2.83 1.04 -1.26 0.72 113.70 115.64 3nf3 s SER 167 Ca 0.07 -0.17 -0.28 0.00 0.48 0.00 0.00 55.95 56.05 3nf3 s SER 167 Cb -0.10 0.30 -0.09 0.00 0.10 0.00 0.00 66.02 66.23 3nf3 s SER 167 CO 0.03 -0.51 1.11 -0.36 0.98 0.00 0.00 173.24 174.49 3nf3 s PHE 168 N -2.02 3.44 0.42 5.02 0.08 -1.26 -5.04 117.98 118.62 3nf3 s PHE 168 Ca -0.09 1.66 -0.02 0.00 0.12 0.00 0.00 56.93 58.60 3nf3 s PHE 168 Cb -0.03 -3.29 0.09 0.00 -0.57 0.00 0.00 43.02 39.22 3nf3 s PHE 168 CO -0.01 -0.72 0.58 0.41 -0.10 0.00 0.00 175.22 175.38 3nf3 n GLY 169 N 0.95 0.28 3.02 4.36 0.00 -1.26 -4.94 105.19 107.60 3nf3 n GLY 169 Ca 0.01 -1.93 -0.18 0.00 0.00 0.00 0.00 46.02 43.92 3nf3 n GLY 169 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3nf3 s HIS 170 N -1.76 0.76 0.41 1.61 2.46 -1.25 -5.00 115.29 112.51 3nf3 s HIS 170 Ca 0.37 -0.17 0.16 0.00 0.47 0.00 0.00 55.06 55.89 3nf3 s HIS 170 Cb -0.02 -0.48 1.04 0.00 -0.13 0.00 0.00 32.58 32.99 3nf3 s HIS 170 CO 0.25 -0.01 1.86 0.93 -2.47 0.00 0.00 174.74 175.29 3nf3 h GLU 171 N 5.80 0.44 0.00 2.88 3.07 -2.06 -3.25 114.58 121.45 3nf3 h GLU 171 Ca -0.31 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 3nf3 h GLU 171 Cb 1.18 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 3nf3 h GLU 171 CO 0.49 0.29 -0.37 1.55 -1.40 0.00 0.00 179.01 179.56 3nf3 n VAL 172 N -4.53 0.07 -3.88 3.13 3.14 -1.26 -5.07 118.33 109.93 3nf3 n VAL 172 Ca 0.19 -0.08 -0.13 0.00 -2.96 0.00 0.00 64.34 61.35 3nf3 n VAL 172 Cb 0.66 0.58 -0.15 0.00 -1.06 0.00 0.00 33.84 33.88 3nf3 n VAL 172 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3nf3 s LEU 173 N -0.10 1.75 -1.17 6.55 1.43 -1.23 -5.07 118.68 120.83 3nf3 s LEU 173 Ca 0.01 -0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.02 3nf3 s LEU 173 Cb 0.01 -0.06 0.24 0.00 0.03 0.00 0.00 46.19 46.41 3nf3 s LEU 173 CO 0.00 -0.03 1.48 0.59 0.23 0.00 0.00 176.35 178.62 3nf3 n ASN 174 N 3.37 5.60 -0.29 2.29 3.02 -1.26 -3.80 115.26 124.19 3nf3 n ASN 174 Ca -0.16 -3.15 0.16 0.00 -0.03 0.00 0.00 54.58 51.39 3nf3 n ASN 174 Cb 0.57 -1.42 0.41 0.00 -0.61 0.00 0.00 39.78 38.74 3nf3 n ASN 174 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3nf3 h LEU 175 N 7.31 0.60 0.00 3.41 3.38 -1.93 0.12 115.31 128.19 3nf3 h LEU 175 Ca 0.27 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3nf3 h LEU 175 Cb 0.74 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3nf3 h LEU 175 CO 1.31 0.24 0.00 0.35 0.09 0.00 0.00 178.44 180.43 3nf3 n THR 176 N -4.61 0.03 -0.50 0.22 -2.24 -1.26 -0.12 114.28 105.79 3nf3 n THR 176 Ca 0.21 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 3nf3 n THR 176 Cb 0.61 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3nf3 n THR 176 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3nf3 n ARG 177 N -1.33 -0.14 -0.10 -0.78 1.74 0.33 -1.35 116.66 115.03 3nf3 n ARG 177 Ca 0.13 -0.38 0.03 0.00 -0.77 0.00 0.00 57.85 56.85 3nf3 n ARG 177 Cb 0.25 -0.75 0.09 0.00 -1.02 0.00 0.00 32.46 31.03 3nf3 n ARG 177 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3nf3 n ASN 178 N -0.04 2.51 0.00 0.55 6.94 -0.73 -4.78 115.26 119.71 3nf3 n ASN 178 Ca 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.57 3nf3 n ASN 178 Cb 0.17 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 3nf3 n ASN 178 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3nf3 n GLY 179 N 0.09 1.36 0.09 4.83 0.00 -0.19 -4.85 105.19 106.51 3nf3 n GLY 179 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 3nf3 n GLY 179 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3nf3 h TYR 180 N 0.00 0.19 0.00 1.61 -1.99 -1.77 -3.39 116.97 111.62 3nf3 h TYR 180 Ca 0.00 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.63 3nf3 h TYR 180 Cb 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.71 3nf3 h TYR 180 CO 0.00 0.88 0.00 0.41 -0.00 0.00 0.00 178.16 179.45 3nf3 n GLY 181 N 1.00 -2.35 3.30 3.88 0.00 0.83 -0.57 105.19 111.29 3nf3 n GLY 181 Ca -0.10 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 3nf3 n GLY 181 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3nf3 s SER 182 N -4.12 0.01 0.16 1.61 1.04 -1.18 -4.26 113.70 106.96 3nf3 s SER 182 Ca 0.00 -0.69 -0.31 0.00 0.48 0.00 0.00 55.95 55.43 3nf3 s SER 182 Cb 0.00 0.42 -0.10 0.00 0.10 0.00 0.00 66.02 66.43 3nf3 s SER 182 CO 0.00 -0.84 1.68 -0.89 0.98 0.00 0.00 173.24 174.17 3nf3 s THR 183 N -3.90 2.47 -0.21 2.02 2.01 -1.26 -4.48 115.64 112.29 3nf3 s THR 183 Ca 0.10 0.23 -0.09 0.00 0.31 0.00 0.00 61.69 62.25 3nf3 s THR 183 Cb 0.03 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 3nf3 s THR 183 CO -0.06 0.01 0.11 -1.10 -0.69 0.00 0.00 174.62 172.90 3nf3 s GLN 184 N 1.69 4.04 -0.30 4.92 -1.52 -0.44 -4.43 119.66 123.62 3nf3 s GLN 184 Ca 0.74 -0.30 -0.09 0.00 -1.95 0.00 0.00 55.36 53.77 3nf3 s GLN 184 Cb -0.46 -3.38 -0.01 0.00 -0.22 0.00 0.00 33.01 28.95 3nf3 s GLN 184 CO 0.33 0.18 0.14 0.71 -0.25 0.00 0.00 175.29 176.39 3nf3 s TYR 185 N 0.68 3.17 -0.43 0.91 1.51 0.22 -0.63 117.35 122.77 3nf3 s TYR 185 Ca 0.06 -0.61 -0.13 0.00 -1.01 0.00 0.00 57.07 55.37 3nf3 s TYR 185 Cb -0.13 -2.33 0.06 0.00 -0.11 0.00 0.00 41.96 39.45 3nf3 s TYR 185 CO 0.01 -0.46 0.31 0.42 -1.11 0.00 0.00 175.55 174.72 3nf3 s ILE 186 N 1.60 4.86 -0.05 2.71 1.01 0.42 0.13 121.20 131.87 3nf3 s ILE 186 Ca 0.04 -1.05 -0.30 0.00 0.00 0.00 0.00 60.65 59.34 3nf3 s ILE 186 Cb -0.17 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 3nf3 s ILE 186 CO 0.06 -0.46 1.49 -0.13 0.00 0.00 0.00 174.94 175.89 3nf3 s ARG 187 N 1.58 4.23 -0.10 2.79 0.52 -0.57 -1.19 118.95 126.21 3nf3 s ARG 187 Ca 0.03 2.01 -0.30 0.00 -0.52 0.00 0.00 55.73 56.95 3nf3 s ARG 187 Cb -0.22 -3.78 0.10 0.00 0.52 0.00 0.00 34.95 31.56 3nf3 s ARG 187 CO 0.06 -0.72 0.83 0.12 0.02 0.00 0.00 175.30 175.60 3nf3 s PHE 188 N 3.32 -0.52 -0.04 -0.53 5.36 -0.37 -2.33 117.98 122.86 3nf3 s PHE 188 Ca 0.66 0.88 0.01 0.00 -0.96 0.00 0.00 56.93 57.53 3nf3 s PHE 188 Cb -0.30 0.43 0.02 0.00 -0.34 0.00 0.00 43.02 42.83 3nf3 s PHE 188 CO 0.25 -0.49 -0.05 0.45 -1.46 0.00 0.00 175.22 173.92 3nf3 s SER 189 N -1.19 0.98 0.00 6.13 0.15 -1.26 -4.19 113.70 114.32 3nf3 s SER 189 Ca -0.06 -0.14 0.30 0.00 0.70 0.00 0.00 55.95 56.74 3nf3 s SER 189 Cb -0.00 -0.45 1.67 0.00 -1.71 0.00 0.00 66.02 65.53 3nf3 s SER 189 CO 0.06 -0.03 2.10 -0.81 1.20 0.00 0.00 173.24 175.75 3nf3 n PRO 190 N 3.90 0.71 -0.03 5.44 -0.04 -1.26 -3.99 135.00 139.73 3nf3 n PRO 190 Ca -0.24 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.32 3nf3 n PRO 190 Cb 0.51 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.58 3nf3 n PRO 190 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3nf3 n ASP 191 N -1.13 2.76 -4.06 3.54 8.00 -1.26 -4.60 116.55 119.80 3nf3 n ASP 191 Ca 0.19 -1.85 -0.12 0.00 0.71 0.00 0.00 54.79 53.72 3nf3 n ASP 191 Cb 0.16 -0.04 -0.11 0.00 -0.02 0.00 0.00 41.12 41.11 3nf3 n ASP 191 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3nf3 s PHE 192 N -1.60 0.62 0.00 1.24 0.40 -1.26 -0.61 117.98 116.78 3nf3 s PHE 192 Ca 0.25 -0.55 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 3nf3 s PHE 192 Cb 0.17 -0.38 0.00 0.00 0.51 0.00 0.00 43.02 43.32 3nf3 s PHE 192 CO 0.25 -0.11 0.00 -2.37 0.70 0.00 0.00 175.22 173.69 3nf3 n THR 193 N 1.35 0.00 -4.41 0.64 5.66 -0.61 -4.92 114.28 111.98 3nf3 n THR 193 Ca -0.22 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.57 3nf3 n THR 193 Cb 0.55 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.20 3nf3 n THR 193 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 3nf3 s PHE 194 N -4.19 1.26 -0.14 1.09 0.40 -1.26 -1.44 117.98 113.69 3nf3 s PHE 194 Ca 0.00 -0.33 -0.20 0.00 -0.60 0.00 0.00 56.93 55.80 3nf3 s PHE 194 Cb 0.00 -0.76 -0.04 0.00 0.51 0.00 0.00 43.02 42.74 3nf3 s PHE 194 CO 0.00 0.03 0.55 0.20 0.70 0.00 0.00 175.22 176.70 3nf3 s GLY 195 N -1.01 2.30 0.37 4.36 0.00 -0.13 0.29 107.32 113.49 3nf3 s GLY 195 Ca 0.02 -0.20 0.08 0.00 0.00 0.00 0.00 44.72 44.63 3nf3 s GLY 195 CO 0.01 1.00 0.12 -0.11 0.00 0.00 0.00 173.10 174.12 3nf3 s PHE 196 N 1.11 2.63 -0.08 1.90 -0.71 0.05 -0.21 117.98 122.67 3nf3 s PHE 196 Ca 0.28 -0.47 -0.30 0.00 -1.04 0.00 0.00 56.93 55.40 3nf3 s PHE 196 Cb -0.16 -1.72 -0.05 0.00 -1.21 0.00 0.00 43.02 39.89 3nf3 s PHE 196 CO 0.11 0.32 1.57 -1.21 -1.34 0.00 0.00 175.22 174.67 3nf3 s GLU 197 N -3.83 4.19 -0.06 1.99 2.02 -1.26 -4.12 118.70 117.63 3nf3 s GLU 197 Ca 0.38 2.07 0.03 0.00 0.02 0.00 0.00 54.97 57.47 3nf3 s GLU 197 Cb 0.00 -3.93 0.01 0.00 0.10 0.00 0.00 34.13 30.31 3nf3 s GLU 197 CO 0.22 -0.81 -0.14 -1.21 0.02 0.00 0.00 175.26 173.33 3nf3 s GLU 198 N 3.91 1.77 -1.03 1.61 2.02 -1.26 -4.90 118.70 120.82 3nf3 s GLU 198 Ca 0.69 -0.48 -0.15 0.00 0.02 0.00 0.00 54.97 55.04 3nf3 s GLU 198 Cb -0.31 -1.47 0.17 0.00 0.10 0.00 0.00 34.13 32.62 3nf3 s GLU 198 CO 0.26 0.09 1.18 0.20 0.02 0.00 0.00 175.26 177.01 3nf3 s GLY 211 N 0.47 2.32 0.20 -1.39 0.00 -1.26 -4.43 107.32 103.24 3nf3 s GLY 211 Ca -0.12 -3.15 -0.10 0.00 0.00 0.00 0.00 44.72 41.34 3nf3 s GLY 211 CO 0.04 1.85 1.83 1.70 0.00 0.00 0.00 173.10 178.52 3nf3 h LYS 212 N 7.91 0.73 -5.58 2.90 3.64 -1.91 -3.38 116.57 120.88 3nf3 h LYS 212 Ca 0.21 -0.04 -0.59 0.00 -1.27 0.00 0.00 60.65 58.95 3nf3 h LYS 212 Cb 0.96 -0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.52 3nf3 h LYS 212 CO 1.09 0.48 -0.30 -0.06 -2.27 0.00 0.00 179.45 178.40 3nf3 s PHE 213 N -6.11 3.50 -0.01 1.91 0.40 -1.26 -1.62 117.98 114.78 3nf3 s PHE 213 Ca -0.13 0.67 -0.16 0.00 -0.60 0.00 0.00 56.93 56.71 3nf3 s PHE 213 Cb 0.15 -2.34 -0.06 0.00 0.51 0.00 0.00 43.02 41.28 3nf3 s PHE 213 CO 0.76 0.29 0.45 0.00 0.70 0.00 0.00 175.22 177.42 3nf3 s ALA 214 N 0.27 3.63 0.23 5.36 0.00 0.00 -0.77 121.76 130.49 3nf3 s ALA 214 Ca 0.18 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 3nf3 s ALA 214 Cb -0.14 -2.48 -0.10 0.00 0.00 0.00 0.00 23.12 20.40 3nf3 s ALA 214 CO 0.06 0.36 1.46 0.99 0.00 0.00 0.00 175.76 178.62 3nf3 s THR 215 N -0.71 2.66 -0.02 0.00 2.01 0.14 -4.86 115.64 114.86 3nf3 s THR 215 Ca 0.25 0.54 -0.30 0.00 0.31 0.00 0.00 61.69 62.49 3nf3 s THR 215 Cb -0.17 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 3nf3 s THR 215 CO 0.14 0.08 1.48 -0.62 -0.69 0.00 0.00 174.62 175.01 3nf3 s ASP 216 N 0.49 6.78 0.63 3.53 -1.08 -1.26 -4.50 116.67 121.25 3nf3 s ASP 216 Ca 0.61 2.15 0.36 0.00 -0.52 0.00 0.00 52.55 55.15 3nf3 s ASP 216 Cb -0.42 -2.55 2.04 0.00 -1.46 0.00 0.00 42.92 40.53 3nf3 s ASP 216 CO 0.41 -0.80 2.25 -0.65 0.52 0.00 0.00 175.17 176.91 3nf3 h PRO 217 N 8.38 0.00 -0.21 4.34 0.11 -1.93 0.96 132.00 143.65 3nf3 h PRO 217 Ca -0.38 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.63 3nf3 h PRO 217 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3nf3 h PRO 217 CO 0.93 0.00 -0.31 0.00 -0.21 0.00 0.00 178.00 178.41 3nf3 h ALA 218 N 1.91 1.07 -0.37 -0.75 0.00 -1.93 -1.59 119.26 117.60 3nf3 h ALA 218 Ca 0.01 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 3nf3 h ALA 218 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3nf3 h ALA 218 CO -0.00 0.57 -0.41 0.28 0.00 0.00 0.00 179.25 179.70 3nf3 h VAL 219 N 0.37 1.27 -0.42 0.00 2.07 -1.19 -2.04 116.25 116.31 3nf3 h VAL 219 Ca 0.05 -1.58 -0.09 0.00 0.82 0.00 0.00 66.70 65.89 3nf3 h VAL 219 Cb 0.73 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 3nf3 h VAL 219 CO 0.06 0.53 -0.12 0.74 0.02 0.00 0.00 177.57 178.80 3nf3 h THR 220 N 0.75 1.26 -0.33 2.57 2.02 -1.30 -0.81 112.91 117.07 3nf3 h THR 220 Ca 0.06 -1.17 -0.14 0.00 0.77 0.00 0.00 66.41 65.93 3nf3 h THR 220 Cb 1.00 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 3nf3 h THR 220 CO 0.10 0.40 -0.33 0.25 0.37 0.00 0.00 175.52 176.31 3nf3 h LEU 221 N 0.69 0.86 -0.41 2.58 5.85 -1.27 -3.00 115.31 120.61 3nf3 h LEU 221 Ca 0.12 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3nf3 h LEU 221 Cb 0.59 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3nf3 h LEU 221 CO 0.04 1.15 0.27 0.00 -0.34 0.00 0.00 178.44 179.56 3nf3 h ALA 222 N 0.73 0.52 -0.64 1.25 0.00 -1.04 0.17 119.26 120.26 3nf3 h ALA 222 Ca 0.05 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.04 3nf3 h ALA 222 Cb 0.91 -0.17 -0.12 0.00 0.00 0.00 0.00 17.79 18.42 3nf3 h ALA 222 CO 0.08 -0.02 -0.34 1.25 0.00 0.00 0.00 179.25 180.23 3nf3 h HIS 223 N 0.56 -0.94 -0.51 0.00 -0.00 -1.15 0.21 115.15 113.32 3nf3 h HIS 223 Ca 0.15 0.08 -0.08 0.00 -0.00 0.00 0.00 60.37 60.52 3nf3 h HIS 223 Cb -0.06 0.51 -0.02 0.00 -0.00 0.00 0.00 27.41 27.84 3nf3 h HIS 223 CO -0.05 -0.38 -0.00 0.93 -0.00 0.00 0.00 177.93 178.43 3nf3 h GLU 224 N -0.14 0.85 -0.25 5.26 4.39 -1.12 -2.27 114.58 121.30 3nf3 h GLU 224 Ca 0.25 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3nf3 h GLU 224 Cb 0.56 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 3nf3 h GLU 224 CO -0.72 0.85 0.09 -0.07 -1.16 0.00 0.00 179.01 178.00 3nf3 h LEU 225 N 0.79 0.30 -0.30 1.33 3.38 0.80 -0.26 115.31 121.34 3nf3 h LEU 225 Ca 0.15 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 3nf3 h LEU 225 Cb 0.48 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3nf3 h LEU 225 CO 0.02 0.29 -0.44 0.40 0.09 0.00 0.00 178.44 178.81 3nf3 h ILE 226 N 0.34 1.28 -0.17 1.22 2.04 -0.10 0.18 117.51 122.31 3nf3 h ILE 226 Ca 0.09 -1.62 0.02 0.00 1.00 0.00 0.00 64.86 64.35 3nf3 h ILE 226 Cb 0.09 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3nf3 h ILE 226 CO -0.01 0.53 0.04 0.45 0.00 0.00 0.00 178.15 179.16 3nf3 h HIS 227 N 0.61 0.07 -0.95 1.37 3.86 -1.04 -1.82 115.15 117.24 3nf3 h HIS 227 Ca 0.03 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3nf3 h HIS 227 Cb 1.04 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.45 3nf3 h HIS 227 CO 0.07 0.03 0.62 0.00 0.86 0.00 0.00 177.93 179.51 3nf3 h ALA 228 N 1.11 1.24 -0.27 2.45 0.00 -0.85 -0.60 119.26 122.35 3nf3 h ALA 228 Ca 0.07 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3nf3 h ALA 228 Cb 0.06 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.42 3nf3 h ALA 228 CO -0.09 0.53 -0.26 0.78 0.00 0.00 0.00 179.25 180.21 3nf3 h GLY 229 N 1.23 -0.20 0.70 0.00 0.00 -0.26 0.27 103.07 104.82 3nf3 h GLY 229 Ca 0.37 0.33 0.05 0.00 0.00 0.00 0.00 47.33 48.08 3nf3 h GLY 229 CO -0.11 -0.20 0.24 0.45 0.00 0.00 0.00 176.54 176.91 3nf3 h HIS 230 N -0.26 0.43 -0.04 5.60 3.86 -0.32 -2.71 115.15 121.71 3nf3 h HIS 230 Ca 0.14 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.24 3nf3 h HIS 230 Cb 0.48 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 3nf3 h HIS 230 CO -0.43 0.20 -0.59 0.00 0.86 0.00 0.00 177.93 177.98 3nf3 h ARG 231 N 0.46 0.13 0.00 2.45 3.08 -0.65 -1.15 114.38 118.70 3nf3 h ARG 231 Ca 0.22 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 3nf3 h ARG 231 Cb 0.15 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3nf3 h ARG 231 CO -0.17 0.68 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.18 3nf3 h LEU 232 N 0.10 0.00 -2.50 3.04 3.38 -0.17 -2.69 115.31 116.47 3nf3 h LEU 232 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3nf3 h LEU 232 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3nf3 h LEU 232 CO 0.08 0.16 0.00 -1.22 0.09 0.00 0.00 178.44 177.56 3nf3 n TYR 233 N -3.30 0.58 -2.37 1.13 4.02 -1.06 -4.02 117.16 112.14 3nf3 n TYR 233 Ca 0.00 -0.36 -0.16 0.00 -0.01 0.00 0.00 57.90 57.37 3nf3 n TYR 233 Cb 0.41 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 39.72 3nf3 n TYR 233 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3nf3 n GLY 234 N 1.22 -0.29 0.04 2.72 0.00 -0.97 -4.14 105.19 103.77 3nf3 n GLY 234 Ca 0.18 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 46.06 3nf3 n GLY 234 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3nf3 n ILE 235 N -4.04 1.45 -1.52 -0.61 -5.35 -0.47 -1.03 119.36 107.80 3nf3 n ILE 235 Ca -0.18 -1.66 -0.35 0.00 -0.27 0.00 0.00 62.75 60.29 3nf3 n ILE 235 Cb 0.64 0.11 0.09 0.00 -1.74 0.00 0.00 39.64 38.74 3nf3 n ILE 235 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3nf3 s ALA 236 N -1.98 2.18 -0.16 -1.28 0.00 -0.46 -4.92 121.76 115.14 3nf3 s ALA 236 Ca 0.17 1.01 -0.05 0.00 0.00 0.00 0.00 51.96 53.09 3nf3 s ALA 236 Cb 0.15 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3nf3 s ALA 236 CO 0.02 -1.82 0.02 0.42 0.00 0.00 0.00 175.76 174.39 3nf3 s ILE 237 N -1.76 4.42 -0.09 0.00 1.01 -1.26 -4.58 121.20 118.93 3nf3 s ILE 237 Ca 0.78 -0.17 -0.40 0.00 0.00 0.00 0.00 60.65 60.85 3nf3 s ILE 237 Cb -0.32 -2.95 -0.18 0.00 0.01 0.00 0.00 42.46 39.01 3nf3 s ILE 237 CO 0.44 0.50 1.36 -3.20 0.00 0.00 0.00 174.94 174.03 3nf3 n ASN 238 N 3.30 1.15 0.19 3.58 2.85 -1.26 -4.61 115.26 120.47 3nf3 n ASN 238 Ca -0.17 1.14 0.13 0.00 -0.11 0.00 0.00 54.58 55.57 3nf3 n ASN 238 Cb 0.53 -1.04 0.70 0.00 1.24 0.00 0.00 39.78 41.20 3nf3 n ASN 238 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3nf3 h PRO 239 N 4.55 0.00 0.00 1.20 0.11 -2.00 0.44 132.00 136.30 3nf3 h PRO 239 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3nf3 h PRO 239 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3nf3 h PRO 239 CO 0.80 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 177.68 3nf3 h ASN 240 N 0.00 0.00 -3.03 -2.05 4.21 -2.01 -3.42 115.58 109.28 3nf3 h ASN 240 Ca 0.00 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 56.95 3nf3 h ASN 240 Cb 0.05 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.17 3nf3 h ASN 240 CO 0.00 0.00 0.92 -0.13 -1.29 0.00 0.00 177.43 176.93 3nf3 s ARG 241 N -3.28 3.42 0.37 0.81 1.81 0.14 -5.00 118.95 117.22 3nf3 s ARG 241 Ca 0.07 0.06 0.08 0.00 -1.72 0.00 0.00 55.73 54.22 3nf3 s ARG 241 Cb 0.09 -4.05 -0.07 0.00 -0.45 0.00 0.00 34.95 30.47 3nf3 s ARG 241 CO 0.56 -1.74 -0.05 0.14 -0.68 0.00 0.00 175.30 173.53 3nf3 s VAL 242 N 4.93 2.12 -0.03 3.52 -7.23 -1.26 -0.44 120.40 122.00 3nf3 s VAL 242 Ca 0.39 -2.12 0.02 0.00 -1.81 0.00 0.00 61.98 58.46 3nf3 s VAL 242 Cb -0.08 -2.79 0.01 0.00 0.56 0.00 0.00 36.38 34.08 3nf3 s VAL 242 CO 0.22 -0.12 -0.07 -0.36 -0.31 0.00 0.00 175.10 174.46 3nf3 s PHE 243 N -2.67 0.88 0.14 2.82 0.08 0.11 -4.79 117.98 114.57 3nf3 s PHE 243 Ca 0.33 -0.24 -0.31 0.00 0.12 0.00 0.00 56.93 56.84 3nf3 s PHE 243 Cb 0.06 -0.67 -0.08 0.00 -0.57 0.00 0.00 43.02 41.75 3nf3 s PHE 243 CO 0.17 -0.14 1.38 0.15 -0.10 0.00 0.00 175.22 176.68 3nf3 s LYS 244 N 0.45 4.33 0.00 0.44 1.02 -1.26 -1.70 119.74 123.02 3nf3 s LYS 244 Ca -0.07 2.10 0.00 0.00 0.02 0.00 0.00 55.97 58.02 3nf3 s LYS 244 Cb -0.11 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 3nf3 s LYS 244 CO 0.01 -0.40 0.00 1.33 -0.92 0.00 0.00 175.35 175.37 3nf3 n VAL 245 N 3.54 0.00 -3.26 3.17 0.24 -1.26 -4.92 118.33 115.85 3nf3 n VAL 245 Ca 0.10 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.19 3nf3 n VAL 245 Cb 0.42 -0.37 0.02 0.00 -1.47 0.00 0.00 33.84 32.44 3nf3 n VAL 245 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3nf3 n ASN 246 N -1.94 -6.58 0.00 -1.34 3.02 -1.26 -5.10 115.26 102.06 3nf3 n ASN 246 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 3nf3 n ASN 246 Cb 0.30 -3.45 0.00 0.00 -0.61 0.00 0.00 39.78 36.02 3nf3 n ASN 246 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3nf3 n LEU 256 N -0.75 0.00 -4.38 3.41 0.00 -1.26 -5.23 117.00 108.79 3nf3 n LEU 256 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 56.01 55.63 3nf3 n LEU 256 Cb 0.58 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.87 3nf3 n LEU 256 CO 0.54 0.00 -0.37 -1.61 0.00 0.00 0.00 177.39 175.95 3nf3 s GLU 257 N -4.53 3.49 0.04 1.96 2.02 -1.26 -4.06 118.70 116.36 3nf3 s GLU 257 Ca 0.00 -0.58 0.08 0.00 0.02 0.00 0.00 54.97 54.48 3nf3 s GLU 257 Cb 0.00 -2.99 -0.03 0.00 0.10 0.00 0.00 34.13 31.21 3nf3 s GLU 257 CO 0.00 -0.05 -0.23 0.08 0.02 0.00 0.00 175.26 175.09 3nf3 s VAL 258 N 1.11 1.82 0.31 2.63 1.01 -0.69 -4.89 120.40 121.69 3nf3 s VAL 258 Ca 0.02 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 60.47 3nf3 s VAL 258 Cb -0.15 -1.56 -0.10 0.00 0.00 0.00 0.00 36.38 34.57 3nf3 s VAL 258 CO 0.00 0.28 1.22 -0.94 0.00 0.00 0.00 175.10 175.67 3nf3 s SER 259 N -1.13 6.98 0.26 3.32 1.04 -1.26 0.10 113.70 123.00 3nf3 s SER 259 Ca 0.09 2.51 -0.05 0.00 0.48 0.00 0.00 55.95 58.98 3nf3 s SER 259 Cb -0.09 -2.64 0.51 0.00 0.10 0.00 0.00 66.02 63.91 3nf3 s SER 259 CO 0.02 -0.38 1.61 0.15 0.98 0.00 0.00 173.24 175.62 3nf3 h PHE 260 N 3.64 -0.11 -0.73 5.02 3.04 -1.06 -1.77 116.94 124.97 3nf3 h PHE 260 Ca -0.48 0.06 0.10 0.00 3.98 0.00 0.00 57.97 61.64 3nf3 h PHE 260 Cb 1.22 0.18 -0.07 0.00 2.56 0.00 0.00 35.95 39.84 3nf3 h PHE 260 CO 0.57 -0.31 0.36 1.49 -2.02 0.00 0.00 178.31 178.41 3nf3 h GLU 261 N 0.07 0.58 -0.05 1.11 4.57 -1.81 -2.09 114.58 116.96 3nf3 h GLU 261 Ca 0.46 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.53 3nf3 h GLU 261 Cb 0.85 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 3nf3 h GLU 261 CO -0.77 0.39 -0.30 0.93 -1.18 0.00 0.00 179.01 178.08 3nf3 h GLU 262 N 0.60 0.29 -0.88 1.92 4.39 -1.72 -1.95 114.58 117.23 3nf3 h GLU 262 Ca 0.37 -0.24 0.11 0.00 0.34 0.00 0.00 59.36 59.93 3nf3 h GLU 262 Cb 0.41 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.03 3nf3 h GLU 262 CO -0.29 0.90 0.51 -0.07 -1.16 0.00 0.00 179.01 178.91 3nf3 h LEU 263 N -0.24 0.73 -0.10 1.33 3.38 -1.28 0.21 115.31 119.33 3nf3 h LEU 263 Ca -0.02 0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3nf3 h LEU 263 Cb 0.96 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3nf3 h LEU 263 CO 0.06 0.39 -0.75 0.08 0.09 0.00 0.00 178.44 178.31 3nf3 h ARG 264 N 0.82 0.00 -0.66 1.13 0.11 -1.42 -0.26 114.38 114.10 3nf3 h ARG 264 Ca 0.44 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.44 3nf3 h ARG 264 Cb 0.45 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.50 3nf3 h ARG 264 CO -0.27 0.75 0.11 1.15 0.10 0.00 0.00 179.97 181.81 3nf3 h THR 265 N 0.00 1.26 -0.05 0.08 2.02 -0.41 -3.13 112.91 112.69 3nf3 h THR 265 Ca -0.01 -1.03 -0.11 0.00 0.77 0.00 0.00 66.41 66.03 3nf3 h THR 265 Cb 1.53 0.65 0.01 0.00 -1.74 0.00 0.00 68.15 68.59 3nf3 h THR 265 CO 0.10 0.39 -0.41 0.15 0.37 0.00 0.00 175.52 176.12 3nf3 h PHE 266 N 1.01 0.50 0.00 3.16 3.57 -0.92 -1.26 116.94 123.00 3nf3 h PHE 266 Ca 0.20 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3nf3 h PHE 266 Cb 0.43 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3nf3 h PHE 266 CO 0.03 1.01 0.00 0.41 -2.23 0.00 0.00 178.31 177.53 3nf3 n GLY 267 N 0.83 1.20 7.00 2.40 0.00 -0.12 -1.22 105.19 115.29 3nf3 n GLY 267 Ca -0.09 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3nf3 n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nf3 n GLY 268 N 0.00 2.38 0.37 -0.02 0.00 -1.26 -0.48 105.19 106.19 3nf3 n GLY 268 Ca 0.00 -0.03 0.20 0.00 0.00 0.00 0.00 46.02 46.20 3nf3 n GLY 268 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3nf3 h HIS 269 N 0.00 0.88 0.00 1.61 -0.00 -1.92 -2.00 115.15 113.72 3nf3 h HIS 269 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3nf3 h HIS 269 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.16 3nf3 h HIS 269 CO 0.00 0.03 0.00 -0.44 -0.00 0.00 0.00 177.93 177.52 3nf3 h ASP 270 N 0.48 0.00 -0.71 3.26 3.32 -1.06 -2.97 116.42 118.74 3nf3 h ASP 270 Ca 0.64 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.89 3nf3 h ASP 270 Cb 1.41 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.92 3nf3 h ASP 270 CO -0.43 0.00 0.50 0.00 -1.72 0.00 0.00 179.24 177.59 3nf3 h ALA 271 N 2.11 2.56 -0.26 3.45 0.00 -1.25 -0.31 119.26 125.56 3nf3 h ALA 271 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3nf3 h ALA 271 Cb 0.38 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3nf3 h ALA 271 CO 0.00 -0.76 0.23 1.57 0.00 0.00 0.00 179.25 180.29 3nf3 h LYS 272 N 0.08 0.00 -0.00 0.00 2.10 -1.75 -1.26 116.57 115.74 3nf3 h LYS 272 Ca 0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 3nf3 h LYS 272 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3nf3 h LYS 272 CO -0.03 0.00 -0.10 1.19 -2.00 0.00 0.00 179.45 178.52 3nf3 n PHE 273 N -4.09 0.00 -3.39 0.07 3.72 -0.13 -4.80 117.46 108.84 3nf3 n PHE 273 Ca 0.03 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.04 3nf3 n PHE 273 Cb 0.37 -0.23 -0.09 0.00 -0.94 0.00 0.00 39.48 38.59 3nf3 n PHE 273 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3nf3 s ILE 274 N -2.56 5.17 -0.16 4.37 1.01 -0.48 -4.92 121.20 123.64 3nf3 s ILE 274 Ca 0.27 0.54 -0.29 0.00 0.00 0.00 0.00 60.65 61.17 3nf3 s ILE 274 Cb 0.20 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.91 3nf3 s ILE 274 CO 0.49 0.14 2.10 -0.62 0.00 0.00 0.00 174.94 177.04 3nf3 s ASP 275 N 1.65 5.78 0.51 3.58 3.68 -1.26 -4.87 116.67 125.73 3nf3 s ASP 275 Ca 0.15 2.04 0.19 0.00 2.13 0.00 0.00 52.55 57.06 3nf3 s ASP 275 Cb -0.16 -2.52 1.30 0.00 -1.45 0.00 0.00 42.92 40.09 3nf3 s ASP 275 CO 0.10 -1.68 2.10 0.28 0.13 0.00 0.00 175.17 176.10 3nf3 h SER 276 N 13.58 0.00 -0.12 -0.34 0.02 -1.95 -1.12 113.55 123.61 3nf3 h SER 276 Ca -0.42 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.50 3nf3 h SER 276 Cb 1.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 3nf3 h SER 276 CO 0.96 0.08 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.63 3nf3 h LEU 277 N 0.00 0.24 -0.89 5.07 3.38 -1.99 -0.34 115.31 120.78 3nf3 h LEU 277 Ca -0.00 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3nf3 h LEU 277 Cb 0.15 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3nf3 h LEU 277 CO 0.01 0.56 0.51 1.56 0.09 0.00 0.00 178.44 181.17 3nf3 h GLN 278 N -0.08 1.23 -0.89 1.13 4.20 -1.90 -0.05 115.11 118.76 3nf3 h GLN 278 Ca 0.03 -0.13 0.10 0.00 0.06 0.00 0.00 58.65 58.71 3nf3 h GLN 278 Cb 0.46 -0.25 -0.08 0.00 0.30 0.00 0.00 27.48 27.91 3nf3 h GLN 278 CO 0.01 0.89 0.53 1.49 -0.67 0.00 0.00 178.83 181.09 3nf3 h GLU 279 N 1.24 0.86 0.01 1.46 4.81 -0.91 -0.96 114.58 121.09 3nf3 h GLU 279 Ca 0.32 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.29 3nf3 h GLU 279 Cb 0.00 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 3nf3 h GLU 279 CO -0.05 0.57 -0.95 -0.97 -0.73 0.00 0.00 179.01 176.88 3nf3 h ASN 280 N 0.89 0.06 -0.49 1.04 -1.24 -0.43 -2.87 115.58 112.53 3nf3 h ASN 280 Ca 0.43 -0.06 -0.08 0.00 0.71 0.00 0.00 56.30 57.30 3nf3 h ASN 280 Cb 0.38 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 3nf3 h ASN 280 CO -0.24 0.97 0.02 -0.33 -1.29 0.00 0.00 177.43 176.55 3nf3 h GLU 281 N 0.02 0.92 -0.48 6.67 5.08 -0.19 -2.17 114.58 124.43 3nf3 h GLU 281 Ca -0.02 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 57.97 3nf3 h GLU 281 Cb 1.65 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.79 3nf3 h GLU 281 CO 0.13 0.90 -0.13 0.74 -1.00 0.00 0.00 179.01 179.65 3nf3 h PHE 282 N 0.85 0.99 0.02 4.33 0.04 -1.21 -1.26 116.94 120.68 3nf3 h PHE 282 Ca 0.16 -0.20 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 3nf3 h PHE 282 Cb 0.48 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.38 3nf3 h PHE 282 CO 0.03 0.95 -0.01 -0.09 -0.60 0.00 0.00 178.31 178.59 3nf3 h ARG 283 N 0.79 -0.02 -0.52 1.51 2.43 -1.25 0.37 114.38 117.69 3nf3 h ARG 283 Ca 0.13 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3nf3 h ARG 283 Cb 0.65 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 3nf3 h ARG 283 CO 0.05 0.09 0.31 -0.07 -1.51 0.00 0.00 179.97 178.84 3nf3 h LEU 284 N -0.13 0.63 -0.40 3.80 3.38 -1.41 -1.41 115.31 119.77 3nf3 h LEU 284 Ca -0.00 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 57.98 3nf3 h LEU 284 Cb 0.12 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.62 3nf3 h LEU 284 CO 0.00 0.50 -0.37 0.22 0.09 0.00 0.00 178.44 178.89 3nf3 h TYR 285 N 0.70 -1.04 0.00 1.13 3.20 -0.80 -2.25 116.97 117.92 3nf3 h TYR 285 Ca 0.19 0.06 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 3nf3 h TYR 285 Cb -0.01 0.51 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3nf3 h TYR 285 CO -0.03 -0.41 -0.29 1.88 -1.64 0.00 0.00 178.16 177.67 3nf3 h TYR 286 N -0.28 0.00 -0.79 -3.82 0.05 -0.68 -2.07 116.97 109.37 3nf3 h TYR 286 Ca 0.16 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.95 3nf3 h TYR 286 Cb 0.56 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.26 3nf3 h TYR 286 CO -0.57 0.29 0.52 -0.92 -1.05 0.00 0.00 178.16 176.43 3nf3 h TYR 287 N 0.00 0.98 -0.42 4.88 3.20 -0.78 -1.76 116.97 123.07 3nf3 h TYR 287 Ca -0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 3nf3 h TYR 287 Cb 0.96 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 3nf3 h TYR 287 CO 0.00 0.61 0.18 -0.91 -1.64 0.00 0.00 178.16 176.41 3nf3 h ASN 288 N 1.06 0.56 -0.47 -2.11 2.35 -0.82 -1.96 115.58 114.19 3nf3 h ASN 288 Ca 0.29 -0.15 0.03 0.00 -0.55 0.00 0.00 56.30 55.92 3nf3 h ASN 288 Cb -0.11 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 3nf3 h ASN 288 CO -0.07 0.56 0.31 0.11 -1.65 0.00 0.00 177.43 176.69 3nf3 h LYS 289 N 0.53 0.50 -0.15 0.81 1.79 -1.19 0.52 116.57 119.40 3nf3 h LYS 289 Ca 0.14 -0.03 -0.14 0.00 -2.18 0.00 0.00 60.65 58.44 3nf3 h LYS 289 Cb 0.16 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 3nf3 h LYS 289 CO -0.01 0.33 -0.51 0.74 -1.08 0.00 0.00 179.45 178.92 3nf3 h PHE 290 N 0.52 0.50 -0.42 -1.35 -1.00 -1.00 -2.08 116.94 112.10 3nf3 h PHE 290 Ca 0.19 -0.17 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 3nf3 h PHE 290 Cb 0.10 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 3nf3 h PHE 290 CO -0.00 0.83 0.26 0.87 -1.61 0.00 0.00 178.31 178.66 3nf3 h LYS 291 N 0.32 0.56 -0.58 1.51 1.57 -0.21 0.84 116.57 120.57 3nf3 h LYS 291 Ca 0.01 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.84 3nf3 h LYS 291 Cb 1.01 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 33.12 3nf3 h LYS 291 CO 0.09 0.41 0.19 -0.44 -0.57 0.00 0.00 179.45 179.13 3nf3 h ASP 292 N 0.56 0.16 -0.48 0.86 3.32 -0.73 0.46 116.42 120.57 3nf3 h ASP 292 Ca 0.15 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 3nf3 h ASP 292 Cb -0.02 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3nf3 h ASP 292 CO -0.03 0.10 -0.02 0.40 -1.72 0.00 0.00 179.24 177.97 3nf3 h ILE 293 N 0.36 1.26 0.00 0.35 2.04 -1.01 0.17 117.51 120.68 3nf3 h ILE 293 Ca 0.30 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 3nf3 h ILE 293 Cb 0.38 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3nf3 h ILE 293 CO -0.32 0.38 -0.00 0.00 0.00 0.00 0.00 178.15 178.21 3nf3 h ALA 294 N 0.92 -0.00 -0.94 1.87 0.00 -0.19 -0.89 119.26 120.02 3nf3 h ALA 294 Ca 0.13 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3nf3 h ALA 294 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3nf3 h ALA 294 CO 0.03 -0.50 0.61 1.03 0.00 0.00 0.00 179.25 180.42 3nf3 h SER 295 N -0.00 0.97 -0.45 0.00 0.87 0.18 -1.14 113.55 113.98 3nf3 h SER 295 Ca -0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 3nf3 h SER 295 Cb 0.00 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3nf3 h SER 295 CO 0.00 0.63 -0.03 0.74 -0.53 0.00 0.00 176.83 177.64 3nf3 h THR 296 N 1.11 1.27 -0.71 2.23 2.02 -0.35 -2.17 112.91 116.31 3nf3 h THR 296 Ca 0.39 -1.10 0.02 0.00 0.77 0.00 0.00 66.41 66.49 3nf3 h THR 296 Cb 0.14 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 3nf3 h THR 296 CO -0.14 0.38 0.47 -0.07 0.37 0.00 0.00 175.52 176.53 3nf3 h LEU 297 N 0.66 0.78 -0.91 2.58 3.38 -0.32 -1.63 115.31 119.85 3nf3 h LEU 297 Ca 0.12 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3nf3 h LEU 297 Cb 0.54 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3nf3 h LEU 297 CO 0.03 0.55 -0.40 0.78 0.09 0.00 0.00 178.44 179.49 3nf3 h ASN 298 N 0.92 0.30 0.33 -0.43 2.35 -0.89 -2.94 115.58 115.21 3nf3 h ASN 298 Ca 0.27 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3nf3 h ASN 298 Cb -0.04 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.25 3nf3 h ASN 298 CO -0.07 0.68 -0.16 0.29 -1.65 0.00 0.00 177.43 176.52 3nf3 n LYS 299 N -4.03 0.73 -2.23 0.81 5.02 -0.69 -4.93 118.16 112.84 3nf3 n LYS 299 Ca -0.01 -0.32 -0.41 0.00 -2.02 0.00 0.00 58.31 55.54 3nf3 n LYS 299 Cb 0.48 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.97 3nf3 n LYS 299 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3nf3 s ALA 300 N -2.50 3.52 0.00 7.82 0.00 -0.77 -4.53 121.76 125.30 3nf3 s ALA 300 Ca 0.27 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.32 3nf3 s ALA 300 Cb 0.20 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3nf3 s ALA 300 CO 0.49 -0.53 0.00 1.63 0.00 0.00 0.00 175.76 177.36 3nf3 n LYS 301 N 2.68 1.99 -4.08 0.00 5.02 0.17 -5.02 118.16 118.92 3nf3 n LYS 301 Ca 0.06 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.25 3nf3 n LYS 301 Cb 0.43 -0.84 -0.09 0.00 -0.02 0.00 0.00 35.03 34.51 3nf3 n LYS 301 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3nf3 s SER 302 N -1.48 0.15 0.04 4.39 1.04 -0.81 -5.04 113.70 111.99 3nf3 s SER 302 Ca 0.00 -1.11 -0.06 0.00 0.48 0.00 0.00 55.95 55.26 3nf3 s SER 302 Cb 0.00 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 3nf3 s SER 302 CO 0.00 -0.84 0.11 -0.51 0.98 0.00 0.00 173.24 172.98 3nf3 s ILE 303 N -4.04 0.13 -0.08 -1.02 2.07 -1.26 -0.51 121.20 116.48 3nf3 s ILE 303 Ca 0.25 -1.03 0.00 0.00 -1.41 0.00 0.00 60.65 58.46 3nf3 s ILE 303 Cb 0.05 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.76 3nf3 s ILE 303 CO 0.04 -0.57 -0.06 -0.69 -1.91 0.00 0.00 174.94 171.75 3nf3 s VAL 304 N -2.50 3.73 -0.61 4.00 1.01 -0.39 -4.92 120.40 120.71 3nf3 s VAL 304 Ca -0.06 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3nf3 s VAL 304 Cb -0.02 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3nf3 s VAL 304 CO -0.04 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3nf3 n GLY 305 N 2.44 0.57 0.09 4.51 0.00 -1.26 -4.68 105.19 106.87 3nf3 n GLY 305 Ca -0.18 -2.24 -0.04 0.00 0.00 0.00 0.00 46.02 43.56 3nf3 n GLY 305 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3nf3 n THR 306 N 1.09 0.66 0.00 2.61 -2.24 -1.26 -4.94 114.28 110.20 3nf3 n THR 306 Ca 0.00 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 3nf3 n THR 306 Cb 0.00 -1.85 0.00 0.00 -2.10 0.00 0.00 70.33 66.38 3nf3 n THR 306 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nf3 n ALA 308 N -3.35 -0.38 0.00 6.98 0.00 -1.26 -5.04 120.51 117.46 3nf3 n ALA 308 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3nf3 n ALA 308 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3nf3 n ALA 308 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3nf3 n SER 309 N 0.57 0.00 -0.15 0.00 2.88 -1.26 -4.96 113.62 110.70 3nf3 n SER 309 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 3nf3 n SER 309 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 3nf3 n SER 309 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3nf3 h LEU 310 N 0.00 0.66 -0.70 2.46 5.85 -1.96 -1.40 115.31 120.23 3nf3 h LEU 310 Ca 0.00 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 3nf3 h LEU 310 Cb 0.00 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3nf3 h LEU 310 CO 0.00 0.75 0.31 -0.61 -0.34 0.00 0.00 178.44 178.54 3nf3 h GLN 311 N 0.55 1.03 -0.42 1.25 5.75 -1.99 -0.74 115.11 120.54 3nf3 h GLN 311 Ca 0.13 -0.17 -0.09 0.00 -0.15 0.00 0.00 58.65 58.36 3nf3 h GLN 311 Cb 0.36 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 3nf3 h GLN 311 CO 0.01 0.83 -0.12 -0.92 -2.65 0.00 0.00 178.83 175.98 3nf3 h TYR 312 N 0.99 0.84 -0.09 3.99 3.20 -1.92 -1.89 116.97 122.08 3nf3 h TYR 312 Ca 0.24 -0.16 -0.15 0.00 3.14 0.00 0.00 58.73 61.80 3nf3 h TYR 312 Cb 0.17 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3nf3 h TYR 312 CO 0.01 0.84 -0.58 0.52 -1.64 0.00 0.00 178.16 177.31 3nf3 h MET 313 N 0.69 0.30 -0.50 1.82 2.86 -0.90 -0.94 114.93 118.27 3nf3 h MET 313 Ca 0.11 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3nf3 h MET 313 Cb 0.60 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 3nf3 h MET 313 CO 0.04 0.80 0.26 0.87 1.06 0.00 0.00 176.91 179.94 3nf3 h LYS 314 N 0.23 0.70 -0.40 1.72 1.57 -0.91 -0.83 116.57 118.65 3nf3 h LYS 314 Ca -0.00 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3nf3 h LYS 314 Cb 1.09 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 3nf3 h LYS 314 CO 0.09 0.56 0.15 -0.91 -0.57 0.00 0.00 179.45 178.78 3nf3 h ASN 315 N 0.66 0.56 -0.46 0.86 2.35 -1.16 0.35 115.58 118.74 3nf3 h ASN 315 Ca 0.17 -0.18 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 3nf3 h ASN 315 Cb 0.07 -0.15 -0.09 0.00 0.05 0.00 0.00 38.32 38.20 3nf3 h ASN 315 CO -0.03 0.59 -0.19 0.58 -1.65 0.00 0.00 177.43 176.73 3nf3 h VAL 316 N 0.50 0.40 0.00 2.81 2.07 -0.89 -0.95 116.25 120.19 3nf3 h VAL 316 Ca 0.13 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.52 3nf3 h VAL 316 Cb 0.21 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3nf3 h VAL 316 CO -0.01 0.00 -0.66 -0.26 0.02 0.00 0.00 177.57 176.67 3nf3 h PHE 317 N -0.10 0.00 -0.65 1.57 0.04 -0.85 -1.59 116.94 115.35 3nf3 h PHE 317 Ca 0.22 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.05 3nf3 h PHE 317 Cb 0.44 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.53 3nf3 h PHE 317 CO -0.46 0.66 0.35 -0.22 -0.60 0.00 0.00 178.31 178.03 3nf3 h LYS 318 N 0.00 0.62 -0.25 1.51 3.64 0.39 -1.59 116.57 120.89 3nf3 h LYS 318 Ca -0.01 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.16 3nf3 h LYS 318 Cb 1.28 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3nf3 h LYS 318 CO 0.09 0.41 -0.54 0.93 -2.27 0.00 0.00 179.45 178.07 3nf3 h GLU 319 N 0.64 0.81 0.33 1.90 5.08 -0.91 0.26 114.58 122.69 3nf3 h GLU 319 Ca 0.30 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3nf3 h GLU 319 Cb 0.21 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3nf3 h GLU 319 CO -0.20 1.16 -0.26 -0.22 -1.00 0.00 0.00 179.01 178.49 3nf3 h LYS 320 N 0.57 -0.57 -0.36 2.33 3.64 -1.01 -2.87 116.57 118.29 3nf3 h LYS 320 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3nf3 h LYS 320 Cb 1.15 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3nf3 h LYS 320 CO 0.12 -0.38 0.00 0.66 -2.27 0.00 0.00 179.45 177.58 3nf3 n TYR 321 N -5.39 0.47 -3.92 1.91 4.01 -0.62 -4.93 117.16 108.69 3nf3 n TYR 321 Ca -0.10 -0.24 -0.25 0.00 -0.16 0.00 0.00 57.90 57.16 3nf3 n TYR 321 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.31 3nf3 n TYR 321 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3nf3 n LEU 322 N 0.70 -2.33 -4.82 7.72 4.77 -0.01 -4.84 117.00 118.20 3nf3 n LEU 322 Ca 0.15 -0.99 -0.33 0.00 -0.03 0.00 0.00 56.01 54.81 3nf3 n LEU 322 Cb 0.38 -2.27 -0.05 0.00 -2.33 0.00 0.00 43.42 39.15 3nf3 n LEU 322 CO 0.11 0.43 0.68 -0.76 -1.33 0.00 0.00 177.39 176.53 3nf3 s LEU 323 N -6.92 3.82 -0.04 2.23 1.43 0.71 -4.46 118.68 115.46 3nf3 s LEU 323 Ca 0.02 1.75 -0.13 0.00 -1.03 0.00 0.00 54.13 54.74 3nf3 s LEU 323 Cb -0.01 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.62 3nf3 s LEU 323 CO 0.88 -0.59 0.35 -0.55 0.23 0.00 0.00 176.35 176.66 3nf3 s SER 324 N -2.33 6.70 -0.16 2.29 0.15 0.54 -4.85 113.70 116.04 3nf3 s SER 324 Ca 0.63 0.83 -0.00 0.00 0.70 0.00 0.00 55.95 58.11 3nf3 s SER 324 Cb -0.12 -2.21 -0.01 0.00 -1.71 0.00 0.00 66.02 61.98 3nf3 s SER 324 CO 0.20 0.32 -0.13 -0.70 1.20 0.00 0.00 173.24 174.13 3nf3 s GLU 325 N -0.93 3.28 0.84 5.44 2.12 -1.26 -1.17 118.70 127.01 3nf3 s GLU 325 Ca 0.22 -0.72 -0.07 0.00 0.36 0.00 0.00 54.97 54.75 3nf3 s GLU 325 Cb -0.15 -2.68 0.17 0.00 0.26 0.00 0.00 34.13 31.72 3nf3 s GLU 325 CO 0.11 0.03 1.15 0.16 -0.54 0.00 0.00 175.26 176.16 3nf3 s ASP 326 N 0.81 3.74 0.36 -1.70 1.47 -0.52 -4.90 116.67 115.93 3nf3 s ASP 326 Ca -0.05 -0.12 0.05 0.00 1.18 0.00 0.00 52.55 53.61 3nf3 s ASP 326 Cb -0.15 -0.08 0.69 0.00 -0.34 0.00 0.00 42.92 43.04 3nf3 s ASP 326 CO 0.00 -2.29 1.95 0.71 0.68 0.00 0.00 175.17 176.22 3nf3 h THR 327 N -1.05 1.16 0.00 2.11 1.35 -2.00 0.16 112.91 114.65 3nf3 h THR 327 Ca -0.39 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 3nf3 h THR 327 Cb 1.25 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3nf3 h THR 327 CO 0.38 0.20 0.00 -1.54 -0.25 0.00 0.00 175.52 174.31 3nf3 n SER 328 N -4.36 0.00 0.00 5.36 3.41 -1.26 -4.86 113.62 111.91 3nf3 n SER 328 Ca 0.02 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 3nf3 n SER 328 Cb 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3nf3 n SER 328 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3nf3 n GLY 329 N 0.54 0.79 3.77 5.00 0.00 0.57 -5.00 105.19 110.86 3nf3 n GLY 329 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3nf3 n GLY 329 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3nf3 s LYS 330 N -0.18 4.41 0.01 1.61 2.20 -1.26 -4.69 119.74 121.85 3nf3 s LYS 330 Ca 0.00 1.74 -0.01 0.00 -0.36 0.00 0.00 55.97 57.33 3nf3 s LYS 330 Cb 0.00 -2.92 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 3nf3 s LYS 330 CO 0.00 0.02 0.16 -0.06 -0.36 0.00 0.00 175.35 175.12 3nf3 s PHE 331 N -1.34 3.47 0.11 4.03 0.08 -1.26 -1.43 117.98 121.64 3nf3 s PHE 331 Ca 0.50 0.29 -0.10 0.00 0.12 0.00 0.00 56.93 57.73 3nf3 s PHE 331 Cb -0.29 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 3nf3 s PHE 331 CO 0.37 0.61 0.26 -1.54 -0.10 0.00 0.00 175.22 174.82 3nf3 s SER 332 N -2.07 0.03 -0.13 1.36 1.04 -0.31 -4.71 113.70 108.91 3nf3 s SER 332 Ca 0.28 -0.63 -0.25 0.00 0.48 0.00 0.00 55.95 55.84 3nf3 s SER 332 Cb -0.13 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 3nf3 s SER 332 CO 0.20 -0.79 0.81 -0.69 0.98 0.00 0.00 173.24 173.75 3nf3 s VAL 333 N -3.87 4.93 -0.33 5.02 1.01 -1.26 -0.34 120.40 125.56 3nf3 s VAL 333 Ca 0.07 1.61 -0.21 0.00 0.00 0.00 0.00 61.98 63.46 3nf3 s VAL 333 Cb 0.04 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 3nf3 s VAL 333 CO -0.09 0.10 0.66 -0.62 0.00 0.00 0.00 175.10 175.15 3nf3 s ASP 334 N 1.05 6.49 0.25 3.32 2.15 -1.26 -4.90 116.67 123.76 3nf3 s ASP 334 Ca 0.39 0.35 -0.04 0.00 0.43 0.00 0.00 52.55 53.69 3nf3 s ASP 334 Cb -0.17 -2.34 0.45 0.00 -0.30 0.00 0.00 42.92 40.55 3nf3 s ASP 334 CO 0.15 -0.55 1.77 0.50 -0.17 0.00 0.00 175.17 176.88 3nf3 h LYS 335 N 8.29 0.60 0.71 4.34 1.63 -1.96 0.15 116.57 130.34 3nf3 h LYS 335 Ca -0.26 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.47 3nf3 h LYS 335 Cb 1.11 -0.14 0.01 0.00 -0.60 0.00 0.00 32.23 32.61 3nf3 h LYS 335 CO 0.83 0.40 -0.34 -0.07 -3.45 0.00 0.00 179.45 176.82 3nf3 h LEU 336 N 0.62 -0.81 -1.56 5.20 3.38 -1.99 -1.08 115.31 119.07 3nf3 h LEU 336 Ca 0.41 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.50 3nf3 h LEU 336 Cb 0.52 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3nf3 h LEU 336 CO -0.32 -0.51 0.45 0.11 0.09 0.00 0.00 178.44 178.27 3nf3 h LYS 337 N -1.08 0.46 -0.13 1.13 1.57 -1.77 -1.47 116.57 115.29 3nf3 h LYS 337 Ca -0.10 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3nf3 h LYS 337 Cb 0.76 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 3nf3 h LYS 337 CO 0.16 0.30 -0.05 0.35 -0.57 0.00 0.00 179.45 179.64 3nf3 h PHE 338 N 0.47 0.30 -0.92 -1.35 3.57 -0.59 -1.88 116.94 116.54 3nf3 h PHE 338 Ca 0.32 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.76 3nf3 h PHE 338 Cb 0.61 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 3nf3 h PHE 338 CO -0.00 0.59 0.61 -0.44 -2.23 0.00 0.00 178.31 176.83 3nf3 h ASP 339 N -0.08 1.04 0.07 0.41 3.32 -0.22 0.24 116.42 121.19 3nf3 h ASP 339 Ca 0.03 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3nf3 h ASP 339 Cb 0.51 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3nf3 h ASP 339 CO 0.02 0.74 -0.03 0.50 -1.72 0.00 0.00 179.24 178.74 3nf3 h LYS 340 N 1.22 -0.09 -0.13 3.56 3.64 -1.32 -1.14 116.57 122.31 3nf3 h LYS 340 Ca 0.34 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.77 3nf3 h LYS 340 Cb -0.10 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 3nf3 h LYS 340 CO -0.08 0.27 -0.12 1.25 -2.27 0.00 0.00 179.45 178.50 3nf3 h LEU 341 N -0.46 -0.37 -0.58 5.20 5.85 -1.03 -0.13 115.31 123.79 3nf3 h LEU 341 Ca -0.01 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3nf3 h LEU 341 Cb 0.40 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3nf3 h LEU 341 CO 0.02 -0.16 0.36 0.22 -0.34 0.00 0.00 178.44 178.54 3nf3 h TYR 342 N -0.14 0.76 -0.61 1.25 3.20 -0.53 -2.03 116.97 118.87 3nf3 h TYR 342 Ca 0.09 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 3nf3 h TYR 342 Cb 0.26 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3nf3 h TYR 342 CO -0.24 0.51 0.05 -0.22 -1.64 0.00 0.00 178.16 176.62 3nf3 h LYS 343 N 0.79 1.05 -0.25 1.82 3.64 -0.98 -1.35 116.57 121.29 3nf3 h LYS 343 Ca 0.21 -0.31 0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3nf3 h LYS 343 Cb -0.04 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 3nf3 h LYS 343 CO -0.04 1.00 -0.04 1.98 -2.27 0.00 0.00 179.45 180.08 3nf3 h MET 344 N 0.95 0.02 -0.02 1.90 4.05 -0.58 0.44 114.93 121.69 3nf3 h MET 344 Ca 0.18 -0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.45 3nf3 h MET 344 Cb 0.49 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.27 3nf3 h MET 344 CO 0.02 0.01 -0.66 -0.07 0.23 0.00 0.00 176.91 176.44 3nf3 h LEU 345 N 0.02 0.13 0.00 3.39 3.38 -1.16 -0.33 115.31 120.74 3nf3 h LEU 345 Ca 0.12 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3nf3 h LEU 345 Cb 0.17 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3nf3 h LEU 345 CO -0.24 0.75 -1.92 0.35 0.09 0.00 0.00 178.44 177.48 3nf3 n THR 346 N -3.79 0.27 -1.09 0.22 -2.24 -0.53 -4.56 114.28 102.57 3nf3 n THR 346 Ca -0.02 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3nf3 n THR 346 Cb 0.65 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3nf3 n THR 346 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3nf3 n GLU 347 N -2.25 0.00 -0.14 -0.78 0.28 0.09 -4.80 120.64 113.04 3nf3 n GLU 347 Ca -0.09 -0.13 -0.29 0.00 -0.16 0.00 0.00 57.16 56.49 3nf3 n GLU 347 Cb 0.61 -0.46 -0.10 0.00 1.43 0.00 0.00 31.44 32.93 3nf3 n GLU 347 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3nf3 n ILE 348 N 0.00 1.52 -2.30 3.84 5.41 -0.86 -4.74 119.36 122.23 3nf3 n ILE 348 Ca 0.00 -0.40 -0.35 0.00 1.00 0.00 0.00 62.75 63.00 3nf3 n ILE 348 Cb 0.32 -1.84 -0.04 0.00 -0.71 0.00 0.00 39.64 37.37 3nf3 n ILE 348 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3nf3 s TYR 349 N -2.51 2.14 0.09 1.39 2.02 -0.15 -4.78 117.35 115.55 3nf3 s TYR 349 Ca -0.38 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 3nf3 s TYR 349 Cb 0.14 -4.37 -0.04 0.00 -0.40 0.00 0.00 41.96 37.29 3nf3 s TYR 349 CO 0.49 -1.88 -0.07 0.95 -1.57 0.00 0.00 175.55 173.47 3nf3 s THR 350 N 7.52 0.67 0.14 -0.71 -4.23 -1.26 -4.78 115.64 112.99 3nf3 s THR 350 Ca 0.57 -1.84 -0.18 0.00 -1.18 0.00 0.00 61.69 59.06 3nf3 s THR 350 Cb -0.04 -1.57 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 3nf3 s THR 350 CO -0.03 -0.83 1.78 -0.08 -0.54 0.00 0.00 174.62 174.93 3nf3 h GLU 351 N 3.13 0.44 -0.46 3.99 4.81 -1.10 -1.65 114.58 123.72 3nf3 h GLU 351 Ca -0.35 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.92 3nf3 h GLU 351 Cb 1.17 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.39 3nf3 h GLU 351 CO 0.62 0.32 0.08 0.22 -0.73 0.00 0.00 179.01 179.52 3nf3 h ASP 352 N 0.43 -0.02 -0.55 1.04 3.58 -1.43 -0.81 116.42 118.66 3nf3 h ASP 352 Ca 0.12 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 3nf3 h ASP 352 Cb -0.01 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 3nf3 h ASP 352 CO -0.02 0.02 0.16 0.78 -2.88 0.00 0.00 179.24 177.30 3nf3 h ASN 353 N 0.21 0.85 -0.85 2.28 2.35 -1.75 -2.47 115.58 116.21 3nf3 h ASN 353 Ca 0.23 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3nf3 h ASN 353 Cb 0.30 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 3nf3 h ASN 353 CO -0.31 0.81 0.40 -0.26 -1.65 0.00 0.00 177.43 176.43 3nf3 h PHE 354 N 0.88 1.22 -0.52 1.19 0.04 -0.35 -2.34 116.94 117.07 3nf3 h PHE 354 Ca 0.19 -0.06 0.07 0.00 2.80 0.00 0.00 57.97 60.97 3nf3 h PHE 354 Cb 0.29 -0.38 -0.06 0.00 2.20 0.00 0.00 35.95 38.00 3nf3 h PHE 354 CO 0.02 0.88 0.19 0.28 -0.60 0.00 0.00 178.31 179.08 3nf3 h VAL 355 N 1.21 0.82 -0.44 -0.55 2.07 -0.73 0.76 116.25 119.38 3nf3 h VAL 355 Ca 0.29 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.75 3nf3 h VAL 355 Cb 0.12 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 3nf3 h VAL 355 CO -0.04 0.07 0.13 0.11 0.02 0.00 0.00 177.57 177.86 3nf3 h LYS 356 N 0.37 0.27 -0.57 1.57 1.57 -1.14 0.29 116.57 118.93 3nf3 h LYS 356 Ca 0.25 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.91 3nf3 h LYS 356 Cb 0.27 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3nf3 h LYS 356 CO -0.25 0.18 -0.04 0.74 -0.57 0.00 0.00 179.45 179.51 3nf3 h PHE 357 N 0.28 1.10 0.00 -1.35 -1.00 -0.79 -2.79 116.94 112.40 3nf3 h PHE 357 Ca 0.21 -0.20 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 3nf3 h PHE 357 Cb 0.24 -0.29 -0.00 0.00 3.61 0.00 0.00 35.95 39.51 3nf3 h PHE 357 CO -0.18 1.00 -0.12 0.74 -1.61 0.00 0.00 178.31 178.14 3nf3 h PHE 358 N 0.92 0.00 -6.34 -0.55 0.04 -0.49 -3.48 116.94 107.04 3nf3 h PHE 358 Ca 0.16 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.46 3nf3 h PHE 358 Cb 0.58 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 3nf3 h PHE 358 CO 0.04 0.12 -0.87 0.36 -0.60 0.00 0.00 178.31 177.36 3nf3 n LYS 359 N -3.16 -3.91 -3.95 1.51 2.85 0.10 -5.00 118.16 106.60 3nf3 n LYS 359 Ca 0.02 0.49 -0.26 0.00 -1.05 0.00 0.00 58.31 57.51 3nf3 n LYS 359 Cb 0.50 -4.78 -0.03 0.00 -0.65 0.00 0.00 35.03 30.07 3nf3 n LYS 359 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3nf3 s VAL 360 N -3.85 1.86 0.02 0.58 -7.23 -1.22 -5.07 120.40 105.50 3nf3 s VAL 360 Ca 0.01 -1.55 -0.18 0.00 -1.81 0.00 0.00 61.98 58.45 3nf3 s VAL 360 Cb -0.00 -2.40 -0.06 0.00 0.56 0.00 0.00 36.38 34.47 3nf3 s VAL 360 CO 0.86 0.00 0.52 -0.22 -0.31 0.00 0.00 175.10 175.95 3nf3 s LEU 361 N -4.17 4.47 0.07 1.32 2.96 -1.26 -4.91 118.68 117.16 3nf3 s LEU 361 Ca 0.35 1.11 -0.24 0.00 -0.22 0.00 0.00 54.13 55.14 3nf3 s LEU 361 Cb -0.01 -2.79 0.06 0.00 0.50 0.00 0.00 46.19 43.95 3nf3 s LEU 361 CO 0.21 0.23 0.56 0.21 -1.32 0.00 0.00 176.35 176.24 3nf3 s ASN 362 N -0.74 -0.50 0.35 3.68 2.47 -1.26 -4.54 114.94 114.39 3nf3 s ASN 362 Ca 0.28 0.19 -0.28 0.00 0.42 0.00 0.00 52.86 53.46 3nf3 s ASN 362 Cb -0.18 0.53 -0.12 0.00 -1.45 0.00 0.00 41.25 40.03 3nf3 s ASN 362 CO 0.16 -0.78 1.36 -2.11 -3.72 0.00 0.00 177.10 172.01 3nf3 n ARG 363 N 0.22 2.32 0.00 0.43 1.85 -1.26 -4.89 116.66 115.32 3nf3 n ARG 363 Ca -0.18 0.81 0.13 0.00 -1.00 0.00 0.00 57.85 57.62 3nf3 n ARG 363 Cb 0.61 -2.45 0.47 0.00 -1.05 0.00 0.00 32.46 30.05 3nf3 n ARG 363 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3nf3 n LYS 364 N 0.56 0.55 -3.98 2.89 4.76 -1.26 -4.87 118.16 116.80 3nf3 n LYS 364 Ca 0.04 -0.25 -0.08 0.00 -2.87 0.00 0.00 58.31 55.14 3nf3 n LYS 364 Cb 0.37 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 31.97 3nf3 n LYS 364 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3nf3 s THR 365 N -2.62 0.18 0.26 -0.18 -1.32 -1.26 -4.42 115.64 106.27 3nf3 s THR 365 Ca 0.23 -1.45 0.09 0.00 -1.21 0.00 0.00 61.69 59.34 3nf3 s THR 365 Cb 0.19 -1.31 -0.04 0.00 -1.51 0.00 0.00 72.50 69.83 3nf3 s THR 365 CO 0.53 -0.80 1.58 0.22 -2.21 0.00 0.00 174.62 173.94 3nf3 h TYR 366 N 3.16 0.06 -0.34 9.09 5.03 -1.93 -3.33 116.97 128.71 3nf3 h TYR 366 Ca -0.34 -0.03 -0.69 0.00 2.58 0.00 0.00 58.73 60.26 3nf3 h TYR 366 Cb 1.17 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 39.42 3nf3 h TYR 366 CO 0.50 0.67 3.43 1.28 -1.32 0.00 0.00 178.16 182.72 3nf3 n LEU 367 N -3.79 8.53 -3.88 2.82 4.32 -1.26 -4.80 117.00 118.93 3nf3 n LEU 367 Ca -0.01 -4.52 -0.26 0.00 -0.02 0.00 0.00 56.01 51.20 3nf3 n LEU 367 Cb 0.64 -1.50 -0.17 0.00 -1.62 0.00 0.00 43.42 40.76 3nf3 n LEU 367 CO 0.43 2.05 -0.43 0.21 -1.22 0.00 0.00 177.39 178.43 3nf3 s ASN 368 N 1.67 2.16 0.09 -1.43 2.47 -1.25 -5.12 114.94 113.53 3nf3 s ASN 368 Ca 0.65 -0.30 -0.31 0.00 0.42 0.00 0.00 52.86 53.32 3nf3 s ASN 368 Cb 0.18 -0.79 -0.06 0.00 -1.45 0.00 0.00 41.25 39.13 3nf3 s ASN 368 CO -0.07 -0.14 1.22 -0.36 -3.72 0.00 0.00 177.10 174.03 3nf3 s PHE 369 N 1.74 3.42 0.32 0.43 0.08 -1.26 -4.98 117.98 117.74 3nf3 s PHE 369 Ca 0.05 1.29 -0.29 0.00 0.12 0.00 0.00 56.93 58.10 3nf3 s PHE 369 Cb -0.13 -3.45 -0.11 0.00 -0.57 0.00 0.00 43.02 38.77 3nf3 s PHE 369 CO -0.08 -1.37 1.43 -0.51 -0.10 0.00 0.00 175.22 174.60 3nf3 s ASP 370 N 0.86 6.55 0.00 1.36 1.01 -1.26 -4.10 116.67 121.08 3nf3 s ASP 370 Ca 0.58 2.84 0.13 0.00 0.71 0.00 0.00 52.55 56.81 3nf3 s ASP 370 Cb -0.31 -2.65 -0.07 0.00 1.01 0.00 0.00 42.92 40.90 3nf3 s ASP 370 CO 0.31 -0.73 0.63 0.29 0.21 0.00 0.00 175.17 175.87 3nf3 n LYS 371 N 1.19 2.43 -3.61 8.23 4.76 0.71 -4.76 118.16 127.12 3nf3 n LYS 371 Ca 0.03 -0.33 -0.07 0.00 -2.87 0.00 0.00 58.31 55.07 3nf3 n LYS 371 Cb 0.40 -1.13 -0.02 0.00 -1.84 0.00 0.00 35.03 32.44 3nf3 n LYS 371 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3nf3 s ALA 372 N -1.92 -1.71 0.02 7.82 0.00 -1.14 -4.36 121.76 120.47 3nf3 s ALA 372 Ca 0.08 0.55 0.05 0.00 0.00 0.00 0.00 51.96 52.64 3nf3 s ALA 372 Cb 0.10 0.57 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 3nf3 s ALA 372 CO 0.42 -0.85 -0.16 0.08 0.00 0.00 0.00 175.76 175.25 3nf3 s VAL 373 N -3.28 1.30 -0.01 0.00 1.01 -1.26 -0.96 120.40 117.19 3nf3 s VAL 373 Ca 0.08 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3nf3 s VAL 373 Cb -0.01 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 3nf3 s VAL 373 CO -0.04 0.19 -0.11 -0.36 0.00 0.00 0.00 175.10 174.77 3nf3 s PHE 374 N -0.65 1.03 0.13 5.22 0.08 -0.52 -1.39 117.98 121.88 3nf3 s PHE 374 Ca 0.05 -0.21 -0.28 0.00 0.12 0.00 0.00 56.93 56.61 3nf3 s PHE 374 Cb -0.07 -0.67 -0.07 0.00 -0.57 0.00 0.00 43.02 41.64 3nf3 s PHE 374 CO 0.01 -0.03 0.88 0.21 -0.10 0.00 0.00 175.22 176.18 3nf3 s LYS 375 N -0.19 4.66 0.39 0.44 2.47 -0.38 -1.57 119.74 125.56 3nf3 s LYS 375 Ca 0.03 1.32 0.05 0.00 -1.56 0.00 0.00 55.97 55.81 3nf3 s LYS 375 Cb -0.05 -3.34 -0.02 0.00 -1.46 0.00 0.00 37.83 32.96 3nf3 s LYS 375 CO -0.00 0.35 0.20 0.44 0.16 0.00 0.00 175.35 176.50 3nf3 n ILE 376 N 2.34 0.00 -3.27 5.43 -5.35 0.22 -1.97 119.36 116.76 3nf3 n ILE 376 Ca -0.01 -2.45 -0.06 0.00 -0.27 0.00 0.00 62.75 59.96 3nf3 n ILE 376 Cb 0.49 1.00 -0.04 0.00 -1.74 0.00 0.00 39.64 39.34 3nf3 n ILE 376 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3nf3 s ASN 377 N -3.49 -0.17 0.00 7.28 2.47 -1.26 -4.73 114.94 115.04 3nf3 s ASN 377 Ca 0.28 -0.55 0.28 0.00 0.42 0.00 0.00 52.86 53.29 3nf3 s ASN 377 Cb 0.01 1.33 0.95 0.00 -1.45 0.00 0.00 41.25 42.09 3nf3 s ASN 377 CO 0.20 -0.30 1.69 2.30 -3.72 0.00 0.00 177.10 177.27 3nf3 n ILE 378 N 5.03 0.00 -0.02 -5.21 -5.35 -1.26 -4.35 119.36 108.19 3nf3 n ILE 378 Ca 0.05 -0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.14 3nf3 n ILE 378 Cb 0.51 0.58 -0.09 0.00 -1.74 0.00 0.00 39.64 38.89 3nf3 n ILE 378 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3nf3 h VAL 379 N 2.48 1.38 -2.95 7.28 2.07 -1.91 -3.38 116.25 121.21 3nf3 h VAL 379 Ca 0.00 -1.19 -0.53 0.00 0.82 0.00 0.00 66.70 65.80 3nf3 h VAL 379 Cb 0.54 2.10 0.07 0.00 -1.52 0.00 0.00 31.29 32.49 3nf3 h VAL 379 CO 0.00 0.32 0.94 -2.65 0.02 0.00 0.00 177.57 176.20 3nf3 n PRO 380 N -4.78 2.73 0.11 1.57 -0.02 -1.26 -4.85 135.00 128.49 3nf3 n PRO 380 Ca -0.08 0.98 0.11 0.00 -2.02 0.00 0.00 63.50 62.49 3nf3 n PRO 380 Cb 0.28 -2.79 0.46 0.00 -0.02 0.00 0.00 33.50 31.43 3nf3 n PRO 380 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3nf3 n LYS 381 N 3.06 0.17 0.00 -0.52 0.00 -1.26 -0.84 118.16 118.77 3nf3 n LYS 381 Ca 0.12 0.39 0.14 0.00 -0.00 0.00 0.00 58.31 58.97 3nf3 n LYS 381 Cb 0.36 -1.81 0.64 0.00 -0.00 0.00 0.00 35.03 34.21 3nf3 n LYS 381 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 3nf3 n VAL 382 N -2.12 0.00 -0.11 0.58 0.24 -1.26 -3.87 118.33 111.78 3nf3 n VAL 382 Ca 0.02 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.34 62.16 3nf3 n VAL 382 Cb 0.23 -0.33 -0.14 0.00 -1.47 0.00 0.00 33.84 32.13 3nf3 n VAL 382 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3nf3 n ASN 383 N -1.28 1.17 -3.64 -1.34 3.02 -0.02 -5.04 115.26 108.13 3nf3 n ASN 383 Ca 0.11 -0.07 -0.05 0.00 -0.03 0.00 0.00 54.58 54.54 3nf3 n ASN 383 Cb 0.29 0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.55 3nf3 n ASN 383 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3nf3 s TYR 384 N -2.51 -0.78 0.18 3.10 6.14 -1.10 -4.56 117.35 117.82 3nf3 s TYR 384 Ca -0.24 1.59 0.11 0.00 0.64 0.00 0.00 57.07 59.17 3nf3 s TYR 384 Cb 0.08 0.46 -0.04 0.00 0.42 0.00 0.00 41.96 42.88 3nf3 s TYR 384 CO 0.70 -0.39 -0.23 0.95 0.64 0.00 0.00 175.55 177.23 3nf3 s THR 385 N 1.35 2.19 0.49 4.34 -4.23 -0.60 -4.40 115.64 114.79 3nf3 s THR 385 Ca -0.08 -1.97 0.29 0.00 -1.18 0.00 0.00 61.69 58.74 3nf3 s THR 385 Cb -0.04 -2.03 0.47 0.00 1.34 0.00 0.00 72.50 72.24 3nf3 s THR 385 CO -0.16 -0.16 1.83 0.40 -0.54 0.00 0.00 174.62 176.00 3nf3 h ILE 386 N 3.27 0.51 0.03 2.99 2.04 -1.90 -0.01 117.51 124.45 3nf3 h ILE 386 Ca -0.45 -0.05 -0.36 0.00 1.00 0.00 0.00 64.86 65.00 3nf3 h ILE 386 Cb 1.21 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3nf3 h ILE 386 CO 0.48 0.02 -2.16 -1.22 0.00 0.00 0.00 178.15 175.28 3nf3 n TYR 387 N -4.35 0.56 0.20 1.37 4.02 -1.26 -4.41 117.16 113.30 3nf3 n TYR 387 Ca 0.22 0.15 0.02 0.00 -0.01 0.00 0.00 57.90 58.29 3nf3 n TYR 387 Cb 1.01 -1.09 -0.00 0.00 -0.02 0.00 0.00 39.34 39.24 3nf3 n TYR 387 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3nf3 n ASP 388 N -3.15 0.79 0.00 7.72 8.00 -1.15 -5.08 116.55 123.68 3nf3 n ASP 388 Ca -0.33 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.28 3nf3 n ASP 388 Cb 1.06 0.51 0.00 0.00 -0.02 0.00 0.00 41.12 42.67 3nf3 n ASP 388 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3nf3 n GLY 389 N 0.70 3.79 0.12 0.44 0.00 -0.03 -2.05 105.19 108.16 3nf3 n GLY 389 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 3nf3 n GLY 389 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3nf3 h PHE 390 N 0.00 0.00 -0.66 1.61 0.04 -1.86 -1.60 116.94 114.47 3nf3 h PHE 390 Ca 0.00 0.00 -0.71 0.00 2.80 0.00 0.00 57.97 60.06 3nf3 h PHE 390 Cb 0.00 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.09 3nf3 h PHE 390 CO 0.00 0.69 2.99 0.09 -0.60 0.00 0.00 178.31 181.48 3nf3 n ASN 391 N -3.43 7.84 -4.65 2.17 3.02 -0.87 -4.43 115.26 114.92 3nf3 n ASN 391 Ca 0.00 -2.90 -0.45 0.00 -0.03 0.00 0.00 54.58 51.20 3nf3 n ASN 391 Cb 0.75 -1.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.43 3nf3 n ASN 391 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3nf3 n LEU 392 N 2.87 2.78 -4.78 3.41 4.77 -1.26 -4.46 117.00 120.34 3nf3 n LEU 392 Ca 0.66 1.14 -0.31 0.00 -0.03 0.00 0.00 56.01 57.48 3nf3 n LEU 392 Cb 0.26 -1.39 0.09 0.00 -2.33 0.00 0.00 43.42 40.05 3nf3 n LEU 392 CO 0.78 -0.66 0.70 0.00 -1.33 0.00 0.00 177.39 176.87 3nf3 s ARG 393 N -0.46 2.17 -1.48 3.23 1.70 -1.26 -2.63 118.95 120.22 3nf3 s ARG 393 Ca 0.69 0.95 -0.06 0.00 -0.47 0.00 0.00 55.73 56.84 3nf3 s ARG 393 Cb -0.69 -1.90 0.02 0.00 -0.57 0.00 0.00 34.95 31.81 3nf3 s ARG 393 CO 0.51 -1.64 0.55 -1.71 -1.08 0.00 0.00 175.30 171.93 3nf3 n ASN 394 N -3.49 -5.47 -4.06 -2.89 5.15 -1.26 -4.94 115.26 98.30 3nf3 n ASN 394 Ca 0.08 -0.30 -0.10 0.00 -0.60 0.00 0.00 54.58 53.66 3nf3 n ASN 394 Cb 0.54 -4.44 -0.07 0.00 -0.53 0.00 0.00 39.78 35.27 3nf3 n ASN 394 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3nf3 s THR 395 N -3.10 0.02 -0.51 -0.44 -4.23 -1.23 -5.01 115.64 101.14 3nf3 s THR 395 Ca 0.31 -1.61 0.16 0.00 -1.18 0.00 0.00 61.69 59.37 3nf3 s THR 395 Cb -0.15 -2.20 0.16 0.00 1.34 0.00 0.00 72.50 71.66 3nf3 s THR 395 CO 0.39 -0.10 1.50 0.59 -0.54 0.00 0.00 174.62 176.47 3nf3 n ASN 396 N -0.29 0.41 -0.29 3.99 3.02 -1.26 -2.09 115.26 118.74 3nf3 n ASN 396 Ca -0.02 0.66 0.14 0.00 -0.03 0.00 0.00 54.58 55.33 3nf3 n ASN 396 Cb 0.64 -0.72 0.56 0.00 -0.61 0.00 0.00 39.78 39.64 3nf3 n ASN 396 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3nf3 n LEU 397 N -2.01 1.00 -0.17 3.41 4.77 -1.26 -4.25 117.00 118.48 3nf3 n LEU 397 Ca 0.00 -0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 55.60 3nf3 n LEU 397 Cb 0.08 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3nf3 n LEU 397 CO 0.10 0.17 0.73 0.00 -1.33 0.00 0.00 177.39 177.06 3nf3 h ALA 398 N 4.00 0.76 -2.82 -1.18 0.00 -1.17 -2.77 119.26 116.08 3nf3 h ALA 398 Ca 0.00 -0.36 -0.62 0.00 0.00 0.00 0.00 54.91 53.93 3nf3 h ALA 398 Cb 0.41 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3nf3 h ALA 398 CO 0.00 0.67 -0.44 0.00 0.00 0.00 0.00 179.25 179.48 3nf3 s ALA 399 N -4.79 3.93 -1.84 0.00 0.00 -1.26 -4.47 121.76 113.33 3nf3 s ALA 399 Ca -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3nf3 s ALA 399 Cb 0.13 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.31 3nf3 s ALA 399 CO 0.86 0.75 0.00 0.09 0.00 0.00 0.00 175.76 177.47 3nf3 n ASN 400 N 0.55 -5.46 -2.38 0.00 3.02 -1.26 -1.48 115.26 108.25 3nf3 n ASN 400 Ca -0.07 0.21 -0.20 0.00 -0.03 0.00 0.00 54.58 54.49 3nf3 n ASN 400 Cb 0.52 -4.58 -0.01 0.00 -0.61 0.00 0.00 39.78 35.10 3nf3 n ASN 400 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3nf3 n PHE 401 N -3.29 -1.01 -0.31 3.10 3.72 -1.26 -4.86 117.46 113.54 3nf3 n PHE 401 Ca -0.21 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.38 3nf3 n PHE 401 Cb 0.66 -3.86 0.46 0.00 -0.94 0.00 0.00 39.48 35.81 3nf3 n PHE 401 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3nf3 h ASN 402 N 0.00 0.52 -0.19 4.37 2.35 -1.33 0.12 115.58 121.42 3nf3 h ASN 402 Ca -0.48 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3nf3 h ASN 402 Cb 1.35 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.70 3nf3 h ASN 402 CO 0.57 0.14 0.12 1.23 -1.65 0.00 0.00 177.43 177.84 3nf3 h GLY 403 N 0.48 0.29 0.17 2.83 0.00 -1.70 -1.28 103.07 103.86 3nf3 h GLY 403 Ca 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.79 3nf3 h GLY 403 CO -0.30 0.11 -0.23 -1.06 0.00 0.00 0.00 176.54 175.06 3nf3 n GLN 404 N -4.49 0.92 -2.80 4.80 6.02 0.38 -4.72 117.38 117.49 3nf3 n GLN 404 Ca -0.00 -0.54 -0.43 0.00 -0.01 0.00 0.00 57.00 56.02 3nf3 n GLN 404 Cb 0.09 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.82 3nf3 n GLN 404 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3nf3 s ASN 405 N -2.45 6.44 0.04 1.08 3.84 -0.48 -0.82 114.94 122.59 3nf3 s ASN 405 Ca 0.26 -0.05 0.17 0.00 0.21 0.00 0.00 52.86 53.44 3nf3 s ASN 405 Cb 0.19 -2.46 0.70 0.00 -0.55 0.00 0.00 41.25 39.14 3nf3 s ASN 405 CO 0.50 -1.17 1.52 0.35 -2.79 0.00 0.00 177.10 175.52 3nf3 n THR 406 N 6.37 0.93 -0.01 -5.21 -2.24 -0.64 0.05 114.28 113.53 3nf3 n THR 406 Ca 0.05 0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.91 3nf3 n THR 406 Cb 0.48 -1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 67.57 3nf3 n THR 406 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3nf3 n GLU 407 N -1.62 0.70 -0.04 -0.78 1.02 -1.26 -3.92 120.64 114.74 3nf3 n GLU 407 Ca 0.03 0.28 -0.17 0.00 -0.02 0.00 0.00 57.16 57.28 3nf3 n GLU 407 Cb 0.19 -1.75 -0.13 0.00 -0.02 0.00 0.00 31.44 29.73 3nf3 n GLU 407 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3nf3 h ILE 408 N 0.04 1.60 -1.30 -3.67 2.04 -1.62 -3.35 117.51 111.25 3nf3 h ILE 408 Ca -0.36 -2.38 -0.63 0.00 1.00 0.00 0.00 64.86 62.49 3nf3 h ILE 408 Cb 2.03 3.19 -0.18 0.00 -0.74 0.00 0.00 36.82 41.11 3nf3 h ILE 408 CO 0.08 0.61 1.11 -3.20 0.00 0.00 0.00 178.15 176.75 3nf3 n ASN 409 N -4.44 7.13 0.00 1.72 5.15 0.11 -4.78 115.26 120.14 3nf3 n ASN 409 Ca -0.14 -3.30 0.08 0.00 -0.60 0.00 0.00 54.58 50.61 3nf3 n ASN 409 Cb 0.60 -1.25 0.36 0.00 -0.53 0.00 0.00 39.78 38.97 3nf3 n ASN 409 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 3nf3 n ASN 410 N 0.87 0.00 -0.22 1.20 0.23 -1.25 -1.81 115.26 114.27 3nf3 n ASN 410 Ca 0.53 0.42 0.13 0.00 -0.53 0.00 0.00 54.58 55.13 3nf3 n ASN 410 Cb 0.40 -0.46 0.30 0.00 -2.08 0.00 0.00 39.78 37.94 3nf3 n ASN 410 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3nf3 n MET 411 N -1.46 0.71 -0.04 -3.83 2.81 -1.26 -3.98 117.12 110.07 3nf3 n MET 411 Ca 0.05 -0.45 0.10 0.00 -1.81 0.00 0.00 57.70 55.59 3nf3 n MET 411 Cb 0.18 -1.49 0.11 0.00 -0.71 0.00 0.00 33.22 31.31 3nf3 n MET 411 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3nf3 n ASN 412 N -0.76 2.81 -3.83 7.83 3.02 -0.75 -4.94 115.26 118.63 3nf3 n ASN 412 Ca 0.11 -1.86 -0.13 0.00 -0.03 0.00 0.00 54.58 52.66 3nf3 n ASN 412 Cb 0.36 -0.05 -0.15 0.00 -0.61 0.00 0.00 39.78 39.33 3nf3 n ASN 412 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3nf3 s PHE 413 N -1.61 0.01 -0.26 3.10 0.08 -1.25 -4.43 117.98 113.62 3nf3 s PHE 413 Ca 0.26 0.06 0.02 0.00 0.12 0.00 0.00 56.93 57.38 3nf3 s PHE 413 Cb 0.17 -0.08 0.06 0.00 -0.57 0.00 0.00 43.02 42.61 3nf3 s PHE 413 CO 0.26 -0.03 -0.07 0.99 -0.10 0.00 0.00 175.22 176.27 3nf3 s THR 414 N 0.39 1.85 0.30 0.64 2.01 -0.83 -4.93 115.64 115.06 3nf3 s THR 414 Ca -0.03 -1.49 -0.29 0.00 0.31 0.00 0.00 61.69 60.18 3nf3 s THR 414 Cb -0.05 -2.07 -0.11 0.00 0.01 0.00 0.00 72.50 70.29 3nf3 s THR 414 CO -0.01 -0.12 1.45 -0.75 -0.69 0.00 0.00 174.62 174.50 3nf3 s LYS 415 N 1.23 4.23 -0.15 4.92 2.20 -1.26 -1.25 119.74 129.66 3nf3 s LYS 415 Ca -0.06 2.39 -0.13 0.00 -0.36 0.00 0.00 55.97 57.81 3nf3 s LYS 415 Cb -0.19 -3.06 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 3nf3 s LYS 415 CO -0.06 -0.43 0.27 -0.51 -0.36 0.00 0.00 175.35 174.26 3nf3 s LEU 416 N -1.03 4.27 0.00 5.43 1.02 -0.48 -4.92 118.68 122.96 3nf3 s LEU 416 Ca 0.57 0.51 0.00 0.00 0.02 0.00 0.00 54.13 55.22 3nf3 s LEU 416 Cb -0.43 -2.34 0.00 0.00 0.02 0.00 0.00 46.19 43.44 3nf3 s LEU 416 CO 0.50 0.14 0.00 1.17 0.02 0.00 0.00 176.35 178.18