#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fj4 h ALA 5 N 0.00 1.51 -0.50 1.57 0.00 -2.00 -1.72 119.26 118.12 3fj4 h ALA 5 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3fj4 h ALA 5 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 3fj4 h ALA 5 CO 0.00 -0.00 0.10 0.43 0.00 0.00 0.00 179.25 179.78 3fj4 n SER 6 N -3.83 4.13 -4.68 0.00 7.64 -1.26 -2.29 113.62 113.33 3fj4 n SER 6 Ca -0.03 -3.24 -0.42 0.00 1.01 0.00 0.00 58.87 56.19 3fj4 n SER 6 Cb 0.08 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 3fj4 n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fj4 n ALA 7 N -0.42 1.03 -2.56 -0.43 0.00 -0.65 -1.12 120.51 116.36 3fj4 n ALA 7 Ca 0.32 0.29 -0.42 0.00 0.00 0.00 0.00 53.44 53.63 3fj4 n ALA 7 Cb 1.15 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 3fj4 n ALA 7 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fj4 s ILE 8 N -1.17 4.46 -0.19 0.00 1.01 0.43 0.03 121.20 125.76 3fj4 s ILE 8 Ca 0.60 1.76 0.12 0.00 0.00 0.00 0.00 60.65 63.13 3fj4 s ILE 8 Cb -0.54 -4.13 -0.20 0.00 0.01 0.00 0.00 42.46 37.60 3fj4 s ILE 8 CO 0.59 0.05 -0.01 -0.62 0.00 0.00 0.00 174.94 174.95 3fj4 n GLU 9 N 4.71 0.97 -3.59 2.79 1.02 0.06 -0.41 120.64 126.18 3fj4 n GLU 9 Ca 0.09 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.11 3fj4 n GLU 9 Cb 0.48 -1.45 -0.06 0.00 -0.02 0.00 0.00 31.44 30.39 3fj4 n GLU 9 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3fj4 s SER 10 N -5.45 -0.46 -0.11 1.62 1.04 -1.14 -4.88 113.70 104.32 3fj4 s SER 10 Ca -0.15 0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.56 3fj4 s SER 10 Cb 0.06 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.70 3fj4 s SER 10 CO 0.66 -0.65 0.03 -0.63 0.98 0.00 0.00 173.24 173.64 3fj4 s ILE 11 N -1.95 0.24 -0.07 -1.02 1.01 -1.26 -1.57 121.20 116.57 3fj4 s ILE 11 Ca -0.08 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.59 3fj4 s ILE 11 Cb -0.01 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 3fj4 s ILE 11 CO 0.02 0.06 -0.14 -0.70 0.00 0.00 0.00 174.94 174.18 3fj4 s GLU 12 N 2.01 2.77 -0.12 2.79 2.12 -0.24 -4.96 118.70 123.06 3fj4 s GLU 12 Ca 0.03 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.68 3fj4 s GLU 12 Cb -0.14 -2.45 -0.01 0.00 0.26 0.00 0.00 34.13 31.79 3fj4 s GLU 12 CO -0.06 0.50 -0.16 0.95 -0.54 0.00 0.00 175.26 175.95 3fj4 s THR 13 N -0.41 2.80 -0.10 -1.70 -4.23 -1.26 -0.62 115.64 110.13 3fj4 s THR 13 Ca 0.05 -0.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.82 3fj4 s THR 13 Cb -0.12 -2.16 0.02 0.00 1.34 0.00 0.00 72.50 71.58 3fj4 s THR 13 CO 0.02 0.53 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.88 3fj4 s ILE 14 N 0.38 1.26 -0.14 2.99 1.01 0.08 -4.95 121.20 121.83 3fj4 s ILE 14 Ca -0.12 -0.48 -0.23 0.00 0.00 0.00 0.00 60.65 59.81 3fj4 s ILE 14 Cb -0.16 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 3fj4 s ILE 14 CO 0.06 0.40 0.71 -0.63 0.00 0.00 0.00 174.94 175.48 3fj4 s ILE 15 N 1.20 4.99 -0.07 2.92 1.01 -1.26 0.23 121.20 130.23 3fj4 s ILE 15 Ca -0.03 1.40 0.05 0.00 0.00 0.00 0.00 60.65 62.06 3fj4 s ILE 15 Cb -0.14 -4.03 -0.00 0.00 0.01 0.00 0.00 42.46 38.30 3fj4 s ILE 15 CO -0.04 0.14 -0.23 -0.69 0.00 0.00 0.00 174.94 174.13 3fj4 s VAL 16 N 1.56 1.89 -0.26 2.92 1.01 0.84 -1.40 120.40 126.94 3fj4 s VAL 16 Ca 0.34 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 3fj4 s VAL 16 Cb -0.17 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3fj4 s VAL 16 CO 0.14 0.53 0.07 -1.81 0.00 0.00 0.00 175.10 174.02 3fj4 s ASP 17 N 0.07 5.07 0.11 3.32 1.01 -1.00 -0.17 116.67 125.08 3fj4 s ASP 17 Ca -0.09 -0.38 0.10 0.00 0.71 0.00 0.00 52.55 52.90 3fj4 s ASP 17 Cb -0.15 -1.90 -0.04 0.00 1.01 0.00 0.00 42.92 41.85 3fj4 s ASP 17 CO 0.05 -0.08 -0.24 -0.76 0.21 0.00 0.00 175.17 174.34 3fj4 s LEU 18 N 1.57 2.40 0.40 1.23 1.43 0.93 -4.81 118.68 121.83 3fj4 s LEU 18 Ca 0.05 -0.66 -0.21 0.00 -1.03 0.00 0.00 54.13 52.28 3fj4 s LEU 18 Cb -0.16 -1.32 -0.11 0.00 0.03 0.00 0.00 46.19 44.64 3fj4 s LEU 18 CO 0.03 0.20 0.92 -2.16 0.23 0.00 0.00 176.35 175.56 3fj4 s PRO 19 N -1.91 4.25 0.35 1.29 0.04 -1.26 -1.25 135.00 136.51 3fj4 s PRO 19 Ca 0.15 1.09 0.09 0.00 0.04 0.00 0.00 61.00 62.36 3fj4 s PRO 19 Cb -0.10 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 3fj4 s PRO 19 CO 0.06 0.04 0.07 0.95 0.04 0.00 0.00 177.00 178.16 3fj4 s THR 20 N -2.07 2.68 0.01 1.26 -4.23 -1.26 -1.74 115.64 110.28 3fj4 s THR 20 Ca 0.59 -1.86 0.26 0.00 -1.18 0.00 0.00 61.69 59.50 3fj4 s THR 20 Cb -0.11 -2.88 0.28 0.00 1.34 0.00 0.00 72.50 71.14 3fj4 s THR 20 CO 0.15 -0.16 1.80 0.16 -0.54 0.00 0.00 174.62 176.03 3fj4 h ILE 21 N 1.69 0.33 -1.35 2.99 3.07 -1.33 -3.44 117.51 119.47 3fj4 h ILE 21 Ca -0.43 -1.02 0.29 0.00 1.55 0.00 0.00 64.86 65.25 3fj4 h ILE 21 Cb 1.25 1.79 -0.18 0.00 -0.27 0.00 0.00 36.82 39.41 3fj4 h ILE 21 CO 0.67 0.14 0.86 0.00 -1.05 0.00 0.00 178.15 178.77 3fj4 s ARG 22 N -3.52 0.24 0.30 0.16 1.70 -1.26 -5.13 118.95 111.44 3fj4 s ARG 22 Ca 0.02 -0.10 -0.30 0.00 -0.47 0.00 0.00 55.73 54.88 3fj4 s ARG 22 Cb 0.09 0.10 -0.12 0.00 -0.57 0.00 0.00 34.95 34.45 3fj4 s ARG 22 CO 0.62 -0.11 1.59 -2.30 -1.08 0.00 0.00 175.30 174.03 3fj4 n PRO 23 N -0.14 2.71 -3.85 3.89 -0.02 -1.26 -4.86 135.00 131.47 3fj4 n PRO 23 Ca -0.00 0.96 -0.36 0.00 -2.02 0.00 0.00 63.50 62.09 3fj4 n PRO 23 Cb 0.59 -2.74 -0.13 0.00 -0.02 0.00 0.00 33.50 31.19 3fj4 n PRO 23 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3fj4 s HIS 24 N -0.07 3.38 -0.41 6.00 2.46 -0.43 -4.55 115.29 121.66 3fj4 s HIS 24 Ca 0.63 -2.01 -0.20 0.00 0.47 0.00 0.00 55.06 53.95 3fj4 s HIS 24 Cb -0.49 -2.51 0.02 0.00 -0.13 0.00 0.00 32.58 29.47 3fj4 s HIS 24 CO 0.49 -0.85 0.62 0.15 -2.47 0.00 0.00 174.74 172.68 3fj4 s LYS 25 N 1.23 3.38 0.33 2.88 1.02 -0.43 -0.11 119.74 128.04 3fj4 s LYS 25 Ca -0.00 -0.29 0.03 0.00 0.02 0.00 0.00 55.97 55.73 3fj4 s LYS 25 Cb -0.21 -3.91 -0.02 0.00 -0.52 0.00 0.00 37.83 33.17 3fj4 s LYS 25 CO -0.02 -0.92 0.50 -0.51 -0.92 0.00 0.00 175.35 173.48 3fj4 s LEU 26 N 2.73 4.03 0.50 3.17 2.01 0.19 -4.80 118.68 126.51 3fj4 s LEU 26 Ca 0.22 0.18 0.18 0.00 0.01 0.00 0.00 54.13 54.71 3fj4 s LEU 26 Cb -0.14 -3.04 1.22 0.00 0.01 0.00 0.00 46.19 44.24 3fj4 s LEU 26 CO 0.17 -0.33 2.06 0.00 1.01 0.00 0.00 176.35 179.27 3fj4 h ALA 27 N 0.84 2.13 -0.01 4.21 0.00 -1.88 -2.83 119.26 121.72 3fj4 h ALA 27 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3fj4 h ALA 27 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3fj4 h ALA 27 CO 0.59 -0.20 -0.11 0.00 0.00 0.00 0.00 179.25 179.53 3fj4 n MET 28 N -4.47 1.35 -3.60 0.00 0.00 -1.26 -4.38 117.12 104.76 3fj4 n MET 28 Ca 0.04 -0.79 -0.11 0.00 0.00 0.00 0.00 57.70 56.84 3fj4 n MET 28 Cb 0.30 -1.11 -0.06 0.00 0.00 0.00 0.00 33.22 32.35 3fj4 n MET 28 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 3fj4 s HIS 29 N -1.07 -0.43 -0.25 3.17 5.65 -1.07 -5.03 115.29 116.26 3fj4 s HIS 29 Ca 0.09 0.89 -0.05 0.00 0.25 0.00 0.00 55.06 56.24 3fj4 s HIS 29 Cb 0.08 0.41 -0.00 0.00 -1.18 0.00 0.00 32.58 31.88 3fj4 s HIS 29 CO 0.18 -0.31 0.01 0.99 -0.65 0.00 0.00 174.74 174.96 3fj4 s THR 30 N -0.56 3.66 0.09 0.89 2.01 -1.26 0.53 115.64 121.00 3fj4 s THR 30 Ca -0.00 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 3fj4 s THR 30 Cb -0.02 -2.77 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 3fj4 s THR 30 CO -0.01 0.27 0.95 -0.04 -0.69 0.00 0.00 174.62 175.10 3fj4 s MET 31 N 1.49 4.66 0.00 4.92 -1.94 0.84 -4.88 119.30 124.40 3fj4 s MET 31 Ca 0.04 1.41 0.06 0.00 -1.71 0.00 0.00 55.69 55.49 3fj4 s MET 31 Cb -0.16 -3.39 -0.06 0.00 2.01 0.00 0.00 34.83 33.24 3fj4 s MET 31 CO -0.00 0.19 0.30 1.04 -0.01 0.00 0.00 175.02 176.53 3fj4 n GLN 32 N 2.93 4.57 -3.66 2.03 1.13 -1.26 -1.31 117.38 121.80 3fj4 n GLN 32 Ca 0.02 -0.08 0.01 0.00 -1.94 0.00 0.00 57.00 55.01 3fj4 n GLN 32 Cb 0.49 -0.82 0.01 0.00 0.11 0.00 0.00 30.24 30.04 3fj4 n GLN 32 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3fj4 n ASN 33 N -1.02 -1.22 -4.05 1.08 6.94 -1.26 -4.45 115.26 111.28 3fj4 n ASN 33 Ca 0.01 -1.43 -0.17 0.00 -0.02 0.00 0.00 54.58 52.97 3fj4 n ASN 33 Cb 0.10 1.94 -0.13 0.00 -2.36 0.00 0.00 39.78 39.32 3fj4 n ASN 33 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3fj4 s GLN 34 N -2.02 0.66 -0.10 -3.83 2.00 -0.38 -4.93 119.66 111.07 3fj4 s GLN 34 Ca 0.24 -0.52 0.04 0.00 -2.00 0.00 0.00 55.36 53.12 3fj4 s GLN 34 Cb -0.01 -0.60 0.00 0.00 0.80 0.00 0.00 33.01 33.20 3fj4 s GLN 34 CO 0.01 0.15 -0.23 0.99 -0.50 0.00 0.00 175.29 175.71 3fj4 s THR 35 N -0.65 2.00 0.28 -0.34 2.01 -1.26 -0.05 115.64 117.64 3fj4 s THR 35 Ca -0.01 -0.99 0.11 0.00 0.31 0.00 0.00 61.69 61.11 3fj4 s THR 35 Cb -0.06 -1.73 -0.05 0.00 0.01 0.00 0.00 72.50 70.67 3fj4 s THR 35 CO 0.00 0.55 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.60 3fj4 s LEU 36 N 0.35 2.80 -0.24 4.42 1.43 0.77 -4.41 118.68 123.79 3fj4 s LEU 36 Ca -0.18 -0.92 0.02 0.00 -1.03 0.00 0.00 54.13 52.02 3fj4 s LEU 36 Cb -0.18 -1.29 0.05 0.00 0.03 0.00 0.00 46.19 44.80 3fj4 s LEU 36 CO 0.09 -0.00 -0.12 -0.69 0.23 0.00 0.00 176.35 175.85 3fj4 s VAL 37 N -2.46 2.09 0.08 -1.59 1.01 -0.72 -0.11 120.40 118.70 3fj4 s VAL 37 Ca 0.31 -1.47 -0.21 0.00 0.00 0.00 0.00 61.98 60.61 3fj4 s VAL 37 Cb -0.05 -2.15 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 3fj4 s VAL 37 CO 0.17 0.07 0.64 -0.22 0.00 0.00 0.00 175.10 175.76 3fj4 s LEU 38 N 1.16 4.52 -0.18 3.92 2.96 0.14 -1.55 118.68 129.66 3fj4 s LEU 38 Ca -0.06 1.36 -0.01 0.00 -0.22 0.00 0.00 54.13 55.20 3fj4 s LEU 38 Cb -0.19 -3.03 -0.00 0.00 0.50 0.00 0.00 46.19 43.48 3fj4 s LEU 38 CO -0.07 0.21 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.42 3fj4 s ILE 39 N -0.91 2.81 -0.30 6.68 1.01 0.18 -0.74 121.20 129.94 3fj4 s ILE 39 Ca 0.32 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 3fj4 s ILE 39 Cb -0.20 -2.22 0.05 0.00 0.01 0.00 0.00 42.46 40.10 3fj4 s ILE 39 CO 0.21 0.49 -0.00 -0.13 0.00 0.00 0.00 174.94 175.51 3fj4 s ARG 40 N 1.05 2.38 -0.27 2.79 0.52 0.21 -1.45 118.95 124.20 3fj4 s ARG 40 Ca -0.01 -1.30 -0.04 0.00 -0.52 0.00 0.00 55.73 53.87 3fj4 s ARG 40 Cb -0.15 -3.17 0.02 0.00 0.52 0.00 0.00 34.95 32.17 3fj4 s ARG 40 CO -0.03 -0.64 -0.01 -1.17 0.02 0.00 0.00 175.30 173.48 3fj4 s LEU 41 N 1.23 3.43 -0.13 2.53 0.20 -0.13 -1.08 118.68 124.75 3fj4 s LEU 41 Ca -0.05 -0.80 -0.04 0.00 0.69 0.00 0.00 54.13 53.94 3fj4 s LEU 41 Cb -0.20 -1.75 -0.03 0.00 -0.43 0.00 0.00 46.19 43.78 3fj4 s LEU 41 CO -0.02 -0.15 0.02 -0.13 -0.29 0.00 0.00 176.35 175.78 3fj4 s ARG 42 N 1.39 3.40 0.29 1.98 0.52 -0.61 0.34 118.95 126.27 3fj4 s ARG 42 Ca 0.01 -0.40 0.08 0.00 -0.52 0.00 0.00 55.73 54.90 3fj4 s ARG 42 Cb -0.17 -2.95 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 3fj4 s ARG 42 CO -0.02 0.51 0.17 0.00 0.02 0.00 0.00 175.30 175.98 3fj4 h ALA 44 N 1.52 1.13 -0.29 0.00 0.00 -0.57 -1.80 119.26 119.25 3fj4 h ALA 44 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3fj4 h ALA 44 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3fj4 h ALA 44 CO 0.60 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.47 3fj4 n ASP 45 N -3.29 2.87 0.00 0.00 5.68 -0.97 -4.88 116.55 115.96 3fj4 n ASP 45 Ca -0.03 -2.32 0.00 0.00 -0.50 0.00 0.00 54.79 51.95 3fj4 n ASP 45 Cb 0.11 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 3fj4 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fj4 n GLY 46 N 0.51 0.48 3.81 6.12 0.00 -0.68 -5.03 105.19 110.40 3fj4 n GLY 46 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3fj4 n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fj4 s ILE 47 N -2.02 5.36 -0.10 -0.61 1.01 -1.25 -4.91 121.20 118.70 3fj4 s ILE 47 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 60.65 61.04 3fj4 s ILE 47 Cb 0.00 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 3fj4 s ILE 47 CO 0.00 0.53 -0.11 -0.70 0.00 0.00 0.00 174.94 174.66 3fj4 s GLU 48 N -0.46 3.03 -0.02 2.79 2.12 -1.26 -0.58 118.70 124.32 3fj4 s GLU 48 Ca 0.15 -0.64 0.04 0.00 0.36 0.00 0.00 54.97 54.89 3fj4 s GLU 48 Cb -0.13 -2.58 -0.03 0.00 0.26 0.00 0.00 34.13 31.65 3fj4 s GLU 48 CO 0.04 0.43 -0.12 0.20 -0.54 0.00 0.00 175.26 175.28 3fj4 s GLY 49 N -0.21 1.62 -0.06 -1.50 0.00 0.15 -4.54 107.32 102.78 3fj4 s GLY 49 Ca 0.01 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 43.74 3fj4 s GLY 49 CO 0.03 -0.86 -0.16 1.08 0.00 0.00 0.00 173.10 173.19 3fj4 s LEU 50 N -1.08 2.62 0.15 0.66 1.43 -1.26 -0.95 118.68 120.25 3fj4 s LEU 50 Ca 0.14 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3fj4 s LEU 50 Cb -0.11 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 3fj4 s LEU 50 CO 0.04 0.30 0.06 -0.83 0.23 0.00 0.00 176.35 176.15 3fj4 s GLY 51 N -0.46 1.11 -0.02 -3.19 0.00 -0.53 -3.46 107.32 100.77 3fj4 s GLY 51 Ca 0.06 -1.53 -0.01 0.00 0.00 0.00 0.00 44.72 43.23 3fj4 s GLY 51 CO 0.02 -1.40 0.04 1.85 0.00 0.00 0.00 173.10 173.61 3fj4 s GLU 52 N -4.05 0.00 -0.23 2.90 2.12 -1.26 -0.64 118.70 117.55 3fj4 s GLU 52 Ca 0.27 0.15 0.01 0.00 0.36 0.00 0.00 54.97 55.76 3fj4 s GLU 52 Cb 0.07 -0.14 0.05 0.00 0.26 0.00 0.00 34.13 34.38 3fj4 s GLU 52 CO 0.04 -0.10 -0.09 -1.12 -0.54 0.00 0.00 175.26 173.44 3fj4 s SER 53 N 0.68 3.82 0.02 -1.70 0.01 -0.59 -3.93 113.70 112.01 3fj4 s SER 53 Ca -0.06 -1.11 0.03 0.00 1.31 0.00 0.00 55.95 56.12 3fj4 s SER 53 Cb -0.08 -1.31 -0.02 0.00 0.21 0.00 0.00 66.02 64.82 3fj4 s SER 53 CO -0.02 -0.18 -0.08 -0.89 0.41 0.00 0.00 173.24 172.47 3fj4 s THR 54 N 1.31 0.61 0.00 1.44 2.01 -1.26 -1.75 115.64 118.00 3fj4 s THR 54 Ca -0.05 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.20 3fj4 s THR 54 Cb -0.18 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.73 3fj4 s THR 54 CO -0.07 -0.12 0.00 1.07 -0.69 0.00 0.00 174.62 174.81 3fj4 n THR 55 N 2.10 0.00 -4.24 -0.82 5.66 -1.26 -4.84 114.28 110.87 3fj4 n THR 55 Ca -0.18 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.62 3fj4 n THR 55 Cb 0.56 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.18 3fj4 n THR 55 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3fj4 s ILE 56 N -0.07 0.61 -1.43 1.09 1.01 -1.26 -4.83 121.20 116.31 3fj4 s ILE 56 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.35 3fj4 s ILE 56 Cb 0.00 -0.59 0.03 0.00 0.01 0.00 0.00 42.46 41.91 3fj4 s ILE 56 CO 0.00 0.22 1.02 0.61 0.00 0.00 0.00 174.94 176.80 3fj4 n GLY 57 N 3.76 -0.53 6.89 6.18 0.00 -1.26 -3.19 105.19 117.04 3fj4 n GLY 57 Ca -0.23 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3fj4 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fj4 n GLY 58 N -1.83 1.29 0.00 -0.02 0.00 -1.26 -1.66 105.19 101.72 3fj4 n GLY 58 Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3fj4 n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fj4 n LEU 59 N 0.00 1.87 0.24 0.99 4.77 -1.26 -4.09 117.00 119.53 3fj4 n LEU 59 Ca 0.00 -1.87 0.13 0.00 -0.03 0.00 0.00 56.01 54.24 3fj4 n LEU 59 Cb 0.00 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 41.60 3fj4 n LEU 59 CO 0.00 0.47 0.88 0.00 -1.33 0.00 0.00 177.39 177.41 3fj4 h ALA 60 N 0.00 1.00 0.00 -1.18 0.00 -1.48 -3.35 119.26 114.24 3fj4 h ALA 60 Ca 0.00 -0.09 -0.35 0.00 0.00 0.00 0.00 54.91 54.47 3fj4 h ALA 60 Cb 0.45 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3fj4 h ALA 60 CO 0.00 0.12 -2.22 0.98 0.00 0.00 0.00 179.25 178.13 3fj4 n TYR 61 N -3.20 0.00 -4.32 0.00 9.36 -1.19 -4.96 117.16 112.84 3fj4 n TYR 61 Ca 0.01 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.04 3fj4 n TYR 61 Cb 0.40 -0.79 -0.09 0.00 -0.63 0.00 0.00 39.34 38.23 3fj4 n TYR 61 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3fj4 s GLY 62 N -5.59 2.09 0.00 2.98 0.00 -1.26 -5.05 107.32 100.49 3fj4 s GLY 62 Ca -0.30 -1.78 0.28 0.00 0.00 0.00 0.00 44.72 42.92 3fj4 s GLY 62 CO 0.42 -1.56 1.93 1.16 0.00 0.00 0.00 173.10 175.05 3fj4 n ASN 63 N -1.01 0.00 -4.56 1.64 0.23 -1.26 -4.46 115.26 105.84 3fj4 n ASN 63 Ca 0.02 0.06 -0.34 0.00 -0.53 0.00 0.00 54.58 53.79 3fj4 n ASN 63 Cb 0.64 -0.35 -0.11 0.00 -2.08 0.00 0.00 39.78 37.89 3fj4 n ASN 63 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3fj4 s GLU 64 N -2.69 3.82 0.30 -3.83 2.02 -1.26 -5.03 118.70 112.03 3fj4 s GLU 64 Ca 0.23 -0.43 0.08 0.00 0.02 0.00 0.00 54.97 54.86 3fj4 s GLU 64 Cb 0.18 -3.10 -0.03 0.00 0.10 0.00 0.00 34.13 31.28 3fj4 s GLU 64 CO 0.44 0.22 0.23 -1.54 0.02 0.00 0.00 175.26 174.63 3fj4 s SER 65 N 0.48 5.25 0.33 -0.19 1.04 -1.26 -4.77 113.70 114.59 3fj4 s SER 65 Ca 0.00 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 56.02 3fj4 s SER 65 Cb -0.13 -1.08 0.67 0.00 0.10 0.00 0.00 66.02 65.58 3fj4 s SER 65 CO 0.02 -0.22 1.89 -0.65 0.98 0.00 0.00 173.24 175.25 3fj4 h PRO 66 N 1.40 0.84 0.10 4.02 0.11 -1.93 0.09 132.00 136.62 3fj4 h PRO 66 Ca -0.46 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3fj4 h PRO 66 Cb 1.25 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3fj4 h PRO 66 CO 0.60 0.55 -0.05 -0.44 -0.21 0.00 0.00 178.00 178.46 3fj4 h ASP 67 N 0.86 -0.11 0.74 -2.05 3.32 -1.96 -2.33 116.42 114.90 3fj4 h ASP 67 Ca 0.42 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.28 3fj4 h ASP 67 Cb 0.44 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3fj4 h ASP 67 CO -0.18 0.04 -0.36 0.77 -1.72 0.00 0.00 179.24 177.79 3fj4 h SER 68 N -0.26 0.00 -0.35 6.45 4.64 -1.80 -2.17 113.55 120.06 3fj4 h SER 68 Ca -0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 3fj4 h SER 68 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3fj4 h SER 68 CO 0.02 0.36 0.06 0.40 -0.87 0.00 0.00 176.83 176.80 3fj4 h ILE 69 N 0.00 1.24 -0.52 0.95 2.04 -0.87 -0.22 117.51 120.12 3fj4 h ILE 69 Ca -0.00 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 3fj4 h ILE 69 Cb 0.83 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 3fj4 h ILE 69 CO 0.05 0.28 0.22 0.50 0.00 0.00 0.00 178.15 179.20 3fj4 h LYS 70 N 0.42 0.76 0.10 2.37 3.64 -1.17 -1.06 116.57 121.63 3fj4 h LYS 70 Ca 0.11 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3fj4 h LYS 70 Cb 0.35 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3fj4 h LYS 70 CO 0.01 0.66 -0.07 1.15 -2.27 0.00 0.00 179.45 178.93 3fj4 h THR 71 N 0.69 0.84 -0.20 1.00 2.02 -1.16 -0.73 112.91 115.38 3fj4 h THR 71 Ca 0.17 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.23 3fj4 h THR 71 Cb 0.17 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3fj4 h THR 71 CO -0.02 0.00 -0.39 0.78 0.37 0.00 0.00 175.52 176.27 3fj4 h ASN 72 N -0.17 0.48 -0.00 4.18 -0.26 -0.98 -0.50 115.58 118.32 3fj4 h ASN 72 Ca -0.00 -0.20 -0.00 0.00 -0.56 0.00 0.00 56.30 55.53 3fj4 h ASN 72 Cb 0.15 -0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 37.28 3fj4 h ASN 72 CO -0.00 0.82 -0.00 0.40 -1.06 0.00 0.00 177.43 177.58 3fj4 h ILE 73 N 0.38 1.36 -0.72 2.81 2.04 -1.10 -0.36 117.51 121.91 3fj4 h ILE 73 Ca 0.04 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 3fj4 h ILE 73 Cb 0.85 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.96 3fj4 h ILE 73 CO 0.07 0.27 0.41 0.44 0.00 0.00 0.00 178.15 179.34 3fj4 h ASP 74 N -0.44 0.88 0.92 1.72 3.32 -1.09 0.14 116.42 121.88 3fj4 h ASP 74 Ca 0.00 -0.08 -0.20 0.00 0.02 0.00 0.00 57.03 56.76 3fj4 h ASP 74 Cb 0.45 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3fj4 h ASP 74 CO 0.00 0.71 -1.14 -0.09 -1.72 0.00 0.00 179.24 177.00 3fj4 h ARG 75 N 0.99 0.00 0.00 3.56 9.65 -1.14 -3.40 114.38 124.03 3fj4 h ARG 75 Ca 0.26 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.14 3fj4 h ARG 75 Cb 0.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 3fj4 h ARG 75 CO -0.04 0.68 -0.80 1.19 2.80 0.00 0.00 179.97 183.79 3fj4 n PHE 76 N -3.18 0.00 -0.03 2.20 3.72 -0.18 -4.74 117.46 115.25 3fj4 n PHE 76 Ca -0.05 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.20 3fj4 n PHE 76 Cb 0.92 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.35 3fj4 n PHE 76 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3fj4 h VAL 77 N 0.00 1.51 -0.03 -4.37 2.07 -1.03 -3.24 116.25 111.16 3fj4 h VAL 77 Ca 0.00 -1.80 0.04 0.00 0.82 0.00 0.00 66.70 65.75 3fj4 h VAL 77 Cb 0.80 2.61 -0.05 0.00 -1.52 0.00 0.00 31.29 33.13 3fj4 h VAL 77 CO 0.00 0.49 -0.33 0.00 0.02 0.00 0.00 177.57 177.75 3fj4 h ALA 78 N 0.32 -0.48 -0.87 1.67 0.00 -0.96 -1.81 119.26 117.13 3fj4 h ALA 78 Ca -0.02 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.04 3fj4 h ALA 78 Cb 0.92 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 19.24 3fj4 h ALA 78 CO 0.04 -0.84 0.57 -1.35 0.00 0.00 0.00 179.25 177.67 3fj4 h PRO 79 N -0.47 0.56 -0.06 0.00 0.11 -1.80 -0.13 132.00 130.20 3fj4 h PRO 79 Ca 0.07 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.99 3fj4 h PRO 79 Cb 0.57 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3fj4 h PRO 79 CO -0.29 0.37 -0.62 -0.07 -0.21 0.00 0.00 178.00 177.18 3fj4 h LEU 80 N 0.58 0.26 0.00 2.35 3.38 -1.41 -3.36 115.31 117.11 3fj4 h LEU 80 Ca 0.44 -0.15 -0.30 0.00 0.09 0.00 0.00 57.88 57.96 3fj4 h LEU 80 Cb 0.85 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 3fj4 h LEU 80 CO -0.19 0.81 -2.06 0.18 0.09 0.00 0.00 178.44 177.28 3fj4 n LEU 81 N -3.86 0.35 -4.67 1.67 4.77 -0.58 -4.78 117.00 109.89 3fj4 n LEU 81 Ca -0.02 0.16 -0.42 0.00 -0.03 0.00 0.00 56.01 55.70 3fj4 n LEU 81 Cb 0.63 0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 42.01 3fj4 n LEU 81 CO 0.45 0.39 1.53 -0.63 -1.33 0.00 0.00 177.39 177.80 3fj4 s ILE 82 N -2.64 2.84 0.00 -0.08 1.01 -0.16 -0.85 121.20 121.32 3fj4 s ILE 82 Ca -0.07 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3fj4 s ILE 82 Cb 0.07 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.50 3fj4 s ILE 82 CO 0.83 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.38 3fj4 n GLY 83 N 4.39 2.97 3.84 6.18 0.00 0.45 -4.96 105.19 118.06 3fj4 n GLY 83 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3fj4 n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fj4 s GLN 84 N -0.67 3.96 -0.19 1.61 -1.52 -0.03 -4.59 119.66 118.24 3fj4 s GLN 84 Ca 0.00 0.89 -0.29 0.00 -1.95 0.00 0.00 55.36 54.01 3fj4 s GLN 84 Cb 0.00 -2.19 -0.03 0.00 -0.22 0.00 0.00 33.01 30.57 3fj4 s GLN 84 CO 0.00 -0.19 1.62 0.34 -0.25 0.00 0.00 175.29 176.81 3fj4 s ASP 85 N -2.94 6.43 0.45 5.90 2.15 -1.26 -0.43 116.67 126.97 3fj4 s ASP 85 Ca 0.58 1.72 0.30 0.00 0.43 0.00 0.00 52.55 55.58 3fj4 s ASP 85 Cb -0.10 -2.53 1.10 0.00 -0.30 0.00 0.00 42.92 41.09 3fj4 s ASP 85 CO 0.28 -1.20 1.86 0.00 -0.17 0.00 0.00 175.17 175.94 3fj4 h ALA 86 N 10.53 1.00 0.00 3.66 0.00 -1.43 -3.08 119.26 129.94 3fj4 h ALA 86 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3fj4 h ALA 86 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3fj4 h ALA 86 CO 0.99 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 179.11 3fj4 n SER 87 N -2.86 0.00 -4.05 0.00 3.41 -1.26 -4.20 113.62 104.66 3fj4 n SER 87 Ca 0.02 0.27 -0.34 0.00 -0.26 0.00 0.00 58.87 58.55 3fj4 n SER 87 Cb 0.33 -0.42 -0.09 0.00 -0.26 0.00 0.00 64.21 63.77 3fj4 n SER 87 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3fj4 s ASN 88 N -2.84 5.45 0.15 4.04 3.84 -1.17 -4.94 114.94 119.48 3fj4 s ASN 88 Ca 0.18 -3.49 -0.13 0.00 0.21 0.00 0.00 52.86 49.63 3fj4 s ASN 88 Cb 0.18 -1.82 0.04 0.00 -0.55 0.00 0.00 41.25 39.10 3fj4 s ASN 88 CO 0.46 -0.21 1.68 0.40 -2.79 0.00 0.00 177.10 176.64 3fj4 h ILE 89 N 4.53 1.23 -0.29 -5.21 2.04 -1.84 -2.36 117.51 115.62 3fj4 h ILE 89 Ca 0.10 -0.76 0.02 0.00 1.00 0.00 0.00 64.86 65.21 3fj4 h ILE 89 Cb 0.84 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 3fj4 h ILE 89 CO 0.78 0.28 0.13 -1.13 0.00 0.00 0.00 178.15 178.21 3fj4 h ASN 90 N 0.70 0.18 -0.66 1.72 -1.24 -1.96 -0.57 115.58 113.75 3fj4 h ASN 90 Ca 0.17 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.17 3fj4 h ASN 90 Cb 0.27 -0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.27 3fj4 h ASN 90 CO -0.01 0.14 0.31 0.00 -1.29 0.00 0.00 177.43 176.59 3fj4 h ALA 91 N 1.16 1.26 -0.29 1.57 0.00 -1.95 -1.32 119.26 119.68 3fj4 h ALA 91 Ca 0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3fj4 h ALA 91 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3fj4 h ALA 91 CO -0.10 0.56 -0.06 0.00 0.00 0.00 0.00 179.25 179.65 3fj4 h ALA 92 N 1.36 0.40 -0.17 0.00 0.00 -0.92 -1.43 119.26 118.51 3fj4 h ALA 92 Ca 0.24 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3fj4 h ALA 92 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3fj4 h ALA 92 CO -0.03 0.22 -0.44 0.52 0.00 0.00 0.00 179.25 179.52 3fj4 h MET 93 N 0.33 0.42 -0.09 0.00 2.07 -0.95 -1.92 114.93 114.79 3fj4 h MET 93 Ca 0.08 -0.22 -0.13 0.00 -2.07 0.00 0.00 59.70 57.36 3fj4 h MET 93 Cb 0.54 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.27 3fj4 h MET 93 CO 0.03 0.78 -0.52 -0.07 1.07 0.00 0.00 176.91 178.20 3fj4 h LEU 94 N 0.34 0.28 -0.83 1.22 3.38 -1.20 -0.16 115.31 118.33 3fj4 h LEU 94 Ca 0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3fj4 h LEU 94 Cb 0.91 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 3fj4 h LEU 94 CO 0.08 0.75 0.29 -0.09 0.09 0.00 0.00 178.44 179.56 3fj4 h ARG 95 N 0.20 1.15 -0.20 1.13 2.43 -0.90 -1.56 114.38 116.63 3fj4 h ARG 95 Ca 0.01 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 3fj4 h ARG 95 Cb 0.99 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 3fj4 h ARG 95 CO 0.08 0.94 -0.05 -0.07 -1.51 0.00 0.00 179.97 179.37 3fj4 h LEU 96 N 1.12 0.39 -1.71 3.80 3.38 -0.84 -3.19 115.31 118.26 3fj4 h LEU 96 Ca 0.25 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3fj4 h LEU 96 Cb 0.23 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3fj4 h LEU 96 CO -0.02 0.66 0.28 -0.08 0.09 0.00 0.00 178.44 179.37 3fj4 h GLU 97 N 0.11 0.36 0.00 1.13 4.57 -0.67 0.31 114.58 120.39 3fj4 h GLU 97 Ca 0.05 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3fj4 h GLU 97 Cb 0.49 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3fj4 h GLU 97 CO 0.02 0.24 0.00 -0.56 -1.18 0.00 0.00 179.01 177.53 3fj4 h GLN 98 N 0.37 0.00 0.00 1.92 3.07 -1.28 -3.33 115.11 115.86 3fj4 h GLN 98 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.92 3fj4 h GLN 98 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.80 3fj4 h GLN 98 CO -0.04 0.00 -0.21 0.43 0.09 0.00 0.00 178.83 179.10 3fj4 n SER 99 N -2.41 0.59 -3.93 0.06 7.64 -0.75 -4.99 113.62 109.83 3fj4 n SER 99 Ca 0.05 -0.49 -0.28 0.00 1.01 0.00 0.00 58.87 59.16 3fj4 n SER 99 Cb 0.42 1.01 -0.17 0.00 -1.01 0.00 0.00 64.21 64.46 3fj4 n SER 99 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3fj4 s ILE 100 N -1.30 1.22 0.06 0.44 1.01 0.10 -5.10 121.20 117.63 3fj4 s ILE 100 Ca 0.01 -0.54 -0.19 0.00 0.00 0.00 0.00 60.65 59.93 3fj4 s ILE 100 Cb 0.01 -1.27 -0.06 0.00 0.01 0.00 0.00 42.46 41.15 3fj4 s ILE 100 CO 0.08 0.29 0.56 -0.13 0.00 0.00 0.00 174.94 175.75 3fj4 s ARG 101 N 1.61 4.21 6.30 2.79 1.81 -1.26 -4.52 118.95 129.89 3fj4 s ARG 101 Ca 0.03 0.72 0.00 0.00 -1.72 0.00 0.00 55.73 54.76 3fj4 s ARG 101 Cb -0.14 -3.25 0.00 0.00 -0.45 0.00 0.00 34.95 31.11 3fj4 s ARG 101 CO -0.09 0.60 0.00 0.41 -0.68 0.00 0.00 175.30 175.55 3fj4 n GLY 102 N 1.83 2.82 3.89 -3.53 0.00 -1.26 -4.90 105.19 104.03 3fj4 n GLY 102 Ca -0.10 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 3fj4 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fj4 n ASN 103 N 2.45 -2.84 0.00 1.61 3.02 -1.26 -4.87 115.26 113.37 3fj4 n ASN 103 Ca 0.00 -0.85 -0.02 0.00 -0.03 0.00 0.00 54.58 53.68 3fj4 n ASN 103 Cb 0.00 -3.69 0.23 0.00 -0.61 0.00 0.00 39.78 35.71 3fj4 n ASN 103 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3fj4 h THR 104 N -1.92 1.24 -0.41 3.41 1.35 -1.91 -1.26 112.91 113.41 3fj4 h THR 104 Ca -0.60 -1.08 -0.01 0.00 -0.55 0.00 0.00 66.41 64.17 3fj4 h THR 104 Cb 1.37 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.95 3fj4 h THR 104 CO 0.64 0.35 0.22 -0.26 -0.25 0.00 0.00 175.52 176.23 3fj4 h PHE 105 N 0.47 0.56 -0.22 4.73 -1.00 -1.82 0.20 116.94 119.86 3fj4 h PHE 105 Ca 0.08 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 3fj4 h PHE 105 Cb 0.54 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 3fj4 h PHE 105 CO 0.02 0.43 0.10 0.00 -1.61 0.00 0.00 178.31 177.25 3fj4 h ALA 106 N 1.08 0.29 -0.71 2.45 0.00 -1.84 -2.54 119.26 117.99 3fj4 h ALA 106 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fj4 h ALA 106 Cb 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3fj4 h ALA 106 CO -0.02 -0.13 0.45 0.87 0.00 0.00 0.00 179.25 180.41 3fj4 h LYS 107 N 0.21 0.95 -0.59 0.00 1.57 -0.89 -2.16 116.57 115.66 3fj4 h LYS 107 Ca 0.07 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3fj4 h LYS 107 Cb 0.15 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3fj4 h LYS 107 CO -0.01 0.65 0.32 1.03 -0.57 0.00 0.00 179.45 180.87 3fj4 h SER 108 N 0.97 0.75 -0.64 0.86 0.87 -0.32 -0.56 113.55 115.48 3fj4 h SER 108 Ca 0.26 -0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 3fj4 h SER 108 Cb -0.08 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 3fj4 h SER 108 CO -0.05 0.63 0.17 1.23 -0.53 0.00 0.00 176.83 178.28 3fj4 h GLY 109 N 0.80 1.10 0.85 5.77 0.00 -1.03 -1.23 103.07 109.33 3fj4 h GLY 109 Ca 0.21 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3fj4 h GLY 109 CO -0.03 0.63 0.01 -2.22 0.00 0.00 0.00 176.54 174.93 3fj4 h ILE 110 N 0.94 1.13 -0.37 2.60 1.08 -1.07 -1.83 117.51 120.00 3fj4 h ILE 110 Ca 0.20 -0.39 -0.06 0.00 -0.39 0.00 0.00 64.86 64.23 3fj4 h ILE 110 Cb 0.34 1.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 3fj4 h ILE 110 CO -0.00 0.10 -0.02 -0.08 -0.69 0.00 0.00 178.15 177.46 3fj4 h GLU 111 N -0.12 0.58 -0.67 2.37 4.81 -1.04 -1.30 114.58 119.21 3fj4 h GLU 111 Ca 0.01 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 3fj4 h GLU 111 Cb 0.16 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3fj4 h GLU 111 CO -0.00 0.63 0.34 0.77 -0.73 0.00 0.00 179.01 180.01 3fj4 h SER 112 N 0.55 0.87 -0.41 1.04 0.02 -1.06 0.36 113.55 114.93 3fj4 h SER 112 Ca 0.11 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3fj4 h SER 112 Cb 0.39 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3fj4 h SER 112 CO 0.02 0.75 0.14 0.00 -1.14 0.00 0.00 176.83 176.59 3fj4 h ALA 113 N 1.16 0.53 -0.87 3.77 0.00 -0.79 -0.52 119.26 122.54 3fj4 h ALA 113 Ca 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3fj4 h ALA 113 Cb 0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3fj4 h ALA 113 CO -0.03 0.17 0.44 -0.07 0.00 0.00 0.00 179.25 179.75 3fj4 h LEU 114 N 0.52 1.12 -0.49 0.00 3.38 -0.94 -0.93 115.31 117.97 3fj4 h LEU 114 Ca 0.13 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3fj4 h LEU 114 Cb 0.24 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3fj4 h LEU 114 CO -0.01 0.93 -0.06 -0.07 0.09 0.00 0.00 178.44 179.32 3fj4 h LEU 115 N 1.23 0.89 -0.34 1.67 3.38 -0.66 0.02 115.31 121.51 3fj4 h LEU 115 Ca 0.30 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3fj4 h LEU 115 Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3fj4 h LEU 115 CO -0.04 1.02 0.22 -0.78 0.09 0.00 0.00 178.44 178.94 3fj4 h ASP 116 N 0.75 0.40 -0.41 -0.43 3.58 -0.75 -0.08 116.42 119.48 3fj4 h ASP 116 Ca 0.13 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 3fj4 h ASP 116 Cb 0.59 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 3fj4 h ASP 116 CO 0.04 0.31 0.13 0.00 -2.88 0.00 0.00 179.24 176.83 3fj4 h ALA 117 N 1.11 0.54 -0.07 -0.78 0.00 -1.00 -2.14 119.26 116.92 3fj4 h ALA 117 Ca 0.12 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3fj4 h ALA 117 Cb -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3fj4 h ALA 117 CO -0.03 0.19 -0.26 0.37 0.00 0.00 0.00 179.25 179.52 3fj4 h GLN 118 N 0.52 0.11 -0.35 0.00 5.75 -0.80 0.08 115.11 120.43 3fj4 h GLN 118 Ca 0.13 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.50 3fj4 h GLN 118 Cb 0.26 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 3fj4 h GLN 118 CO -0.00 0.37 -0.17 0.78 -2.65 0.00 0.00 178.83 177.16 3fj4 h GLY 119 N 0.90 0.81 0.98 2.39 0.00 -0.73 -1.55 103.07 105.87 3fj4 h GLY 119 Ca 0.02 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 3fj4 h GLY 119 CO 0.04 0.66 0.02 0.50 0.00 0.00 0.00 176.54 177.76 3fj4 h LYS 120 N 0.53 0.80 -0.84 4.80 1.57 -1.03 0.37 116.57 122.76 3fj4 h LYS 120 Ca 0.08 -0.24 0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3fj4 h LYS 120 Cb 0.71 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.88 3fj4 h LYS 120 CO 0.05 0.84 0.51 -0.09 -0.57 0.00 0.00 179.45 180.20 3fj4 h ARG 121 N 0.66 0.89 -0.01 3.15 2.43 -0.83 -2.48 114.38 118.18 3fj4 h ARG 121 Ca 0.13 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3fj4 h ARG 121 Cb 0.47 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3fj4 h ARG 121 CO 0.02 0.59 -0.39 1.28 -1.51 0.00 0.00 179.97 179.96 3fj4 n LEU 122 N -4.65 1.81 -2.00 3.80 4.77 -0.60 -4.97 117.00 115.16 3fj4 n LEU 122 Ca 0.12 -0.64 -0.13 0.00 -0.03 0.00 0.00 56.01 55.34 3fj4 n LEU 122 Cb 0.20 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3fj4 n LEU 122 CO 0.30 0.33 0.06 0.61 -1.33 0.00 0.00 177.39 177.37 3fj4 n GLY 123 N 1.39 0.06 3.07 -0.72 0.00 0.10 -5.04 105.19 104.06 3fj4 n GLY 123 Ca 0.10 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 3fj4 n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fj4 s LEU 124 N -4.22 2.15 0.71 0.99 1.02 0.36 -4.77 118.68 114.93 3fj4 s LEU 124 Ca 0.24 -0.39 -0.12 0.00 0.02 0.00 0.00 54.13 53.88 3fj4 s LEU 124 Cb -0.11 -0.40 0.02 0.00 0.02 0.00 0.00 46.19 45.72 3fj4 s LEU 124 CO 0.30 -0.02 1.09 -2.16 0.02 0.00 0.00 176.35 175.58 3fj4 s PRO 125 N -0.99 2.61 0.44 1.29 0.04 -1.23 -0.70 135.00 136.47 3fj4 s PRO 125 Ca -0.01 1.20 0.15 0.00 0.04 0.00 0.00 61.00 62.37 3fj4 s PRO 125 Cb -0.07 -1.94 1.05 0.00 0.04 0.00 0.00 34.50 33.58 3fj4 s PRO 125 CO 0.01 -1.37 1.98 0.28 0.04 0.00 0.00 177.00 177.93 3fj4 h VAL 126 N -0.59 0.88 -0.22 -0.36 2.07 -1.46 -1.19 116.25 115.37 3fj4 h VAL 126 Ca -0.45 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3fj4 h VAL 126 Cb 1.23 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3fj4 h VAL 126 CO 0.53 0.07 0.12 0.77 0.02 0.00 0.00 177.57 179.08 3fj4 h SER 127 N 0.39 0.27 1.07 0.57 4.64 -1.85 -1.43 113.55 117.20 3fj4 h SER 127 Ca 0.28 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.40 3fj4 h SER 127 Cb 0.59 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 3fj4 h SER 127 CO -0.08 0.23 -0.94 -0.33 -0.87 0.00 0.00 176.83 174.84 3fj4 h GLU 128 N 0.31 0.00 -0.09 4.77 4.39 -1.56 -1.24 114.58 121.16 3fj4 h GLU 128 Ca 0.08 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 3fj4 h GLU 128 Cb 0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3fj4 h GLU 128 CO -0.01 0.85 -0.30 -0.07 -1.16 0.00 0.00 179.01 178.32 3fj4 h LEU 129 N 0.00 0.16 -0.49 1.33 3.38 -1.06 -2.30 115.31 116.33 3fj4 h LEU 129 Ca -0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3fj4 h LEU 129 Cb 1.70 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.40 3fj4 h LEU 129 CO 0.11 0.46 0.00 0.18 0.09 0.00 0.00 178.44 179.28 3fj4 n LEU 130 N -4.14 0.73 0.00 1.67 4.77 -0.64 -4.88 117.00 114.52 3fj4 n LEU 130 Ca -0.01 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 3fj4 n LEU 130 Cb 0.38 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3fj4 n LEU 130 CO 0.39 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3fj4 n GLY 131 N 0.89 1.04 0.00 -0.72 0.00 -0.87 -5.04 105.19 100.48 3fj4 n GLY 131 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3fj4 n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fj4 n GLY 132 N 0.00 3.96 3.82 -0.02 0.00 -0.47 -4.95 105.19 107.51 3fj4 n GLY 132 Ca 0.00 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 3fj4 n GLY 132 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fj4 s ARG 133 N -5.45 3.79 0.00 1.61 1.70 -1.25 -4.40 118.95 114.94 3fj4 s ARG 133 Ca 0.00 1.16 0.04 0.00 -0.47 0.00 0.00 55.73 56.46 3fj4 s ARG 133 Cb 0.00 -2.10 0.05 0.00 -0.57 0.00 0.00 34.95 32.32 3fj4 s ARG 133 CO 0.00 -0.41 0.71 1.33 -1.08 0.00 0.00 175.30 175.84 3fj4 n VAL 134 N -1.36 0.15 -3.51 4.99 0.24 0.31 -4.94 118.33 114.21 3fj4 n VAL 134 Ca 0.08 -0.58 -0.11 0.00 -2.04 0.00 0.00 64.34 61.70 3fj4 n VAL 134 Cb 0.53 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.88 3fj4 n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fj4 s ARG 135 N -0.46 1.36 -0.02 7.34 1.70 -1.25 -5.06 118.95 122.56 3fj4 s ARG 135 Ca 0.06 -0.56 0.15 0.00 -0.47 0.00 0.00 55.73 54.90 3fj4 s ARG 135 Cb 0.04 0.58 -0.21 0.00 -0.57 0.00 0.00 34.95 34.79 3fj4 s ARG 135 CO 0.06 -0.60 0.39 -0.25 -1.08 0.00 0.00 175.30 173.81 3fj4 n ASP 136 N -0.39 1.41 -4.27 -2.89 8.00 -1.26 -4.90 116.55 112.26 3fj4 n ASP 136 Ca -0.14 -0.20 -0.23 0.00 0.71 0.00 0.00 54.79 54.93 3fj4 n ASP 136 Cb 0.64 1.51 -0.12 0.00 -0.02 0.00 0.00 41.12 43.13 3fj4 n ASP 136 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fj4 s ALA 137 N -2.86 1.70 -0.06 2.24 0.00 -1.26 -1.04 121.76 120.48 3fj4 s ALA 137 Ca -0.03 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 50.75 3fj4 s ALA 137 Cb 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.01 3fj4 s ALA 137 CO 0.60 0.31 -0.17 -0.51 0.00 0.00 0.00 175.76 175.99 3fj4 s LEU 138 N -1.95 1.87 0.26 0.00 1.43 -0.29 -4.93 118.68 115.07 3fj4 s LEU 138 Ca 0.06 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 3fj4 s LEU 138 Cb -0.09 -1.03 -0.10 0.00 0.03 0.00 0.00 46.19 45.00 3fj4 s LEU 138 CO 0.04 0.12 1.34 -2.16 0.23 0.00 0.00 176.35 175.92 3fj4 s PRO 139 N 0.28 4.35 -0.15 1.29 0.04 -1.26 -0.51 135.00 139.03 3fj4 s PRO 139 Ca -0.10 2.18 0.01 0.00 0.04 0.00 0.00 61.00 63.13 3fj4 s PRO 139 Cb -0.14 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.29 3fj4 s PRO 139 CO 0.04 -0.26 -0.17 0.08 0.04 0.00 0.00 177.00 176.73 3fj4 s VAL 140 N -0.42 1.76 0.77 -0.36 1.01 -0.81 -2.34 120.40 120.02 3fj4 s VAL 140 Ca 0.54 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 3fj4 s VAL 140 Cb -0.39 -1.61 0.08 0.00 0.00 0.00 0.00 36.38 34.46 3fj4 s VAL 140 CO 0.45 0.49 1.11 0.00 0.00 0.00 0.00 175.10 177.15 3fj4 s ALA 141 N 1.28 2.86 -0.02 5.51 0.00 0.12 -4.59 121.76 126.93 3fj4 s ALA 141 Ca 0.02 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.17 3fj4 s ALA 141 Cb -0.13 -2.77 0.01 0.00 0.00 0.00 0.00 23.12 20.22 3fj4 s ALA 141 CO -0.09 -1.56 -0.07 -0.46 0.00 0.00 0.00 175.76 173.58 3fj4 s TRP 142 N -3.45 0.77 -0.17 0.00 -0.11 0.17 -4.59 118.94 111.57 3fj4 s TRP 142 Ca 0.62 -0.18 -0.18 0.00 1.22 0.00 0.00 56.10 57.57 3fj4 s TRP 142 Cb -0.10 -0.57 -0.04 0.00 -1.50 0.00 0.00 33.47 31.26 3fj4 s TRP 142 CO 0.47 -0.09 0.51 0.99 -4.62 0.00 0.00 176.95 174.21 3fj4 s THR 143 N 0.27 5.13 -0.33 5.86 2.01 -1.26 -0.81 115.64 126.51 3fj4 s THR 143 Ca -0.04 0.97 -0.14 0.00 0.31 0.00 0.00 61.69 62.80 3fj4 s THR 143 Cb -0.08 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 3fj4 s THR 143 CO 0.00 0.23 0.30 -0.76 -0.69 0.00 0.00 174.62 173.71 3fj4 s LEU 144 N 1.25 4.42 -0.37 4.42 1.43 0.52 -4.92 118.68 125.43 3fj4 s LEU 144 Ca 0.25 -0.27 0.12 0.00 -1.03 0.00 0.00 54.13 53.21 3fj4 s LEU 144 Cb -0.15 -2.25 0.41 0.00 0.03 0.00 0.00 46.19 44.23 3fj4 s LEU 144 CO 0.10 -0.27 1.21 0.00 0.23 0.00 0.00 176.35 177.62 3fj4 n ALA 145 N 5.25 1.93 0.11 4.21 0.00 -1.26 -3.24 120.51 127.52 3fj4 n ALA 145 Ca -0.11 -1.93 0.10 0.00 0.00 0.00 0.00 53.44 51.49 3fj4 n ALA 145 Cb 0.50 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.98 3fj4 n ALA 145 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fj4 h SER 146 N 2.37 0.00 0.00 0.00 4.64 -1.90 -1.14 113.55 117.51 3fj4 h SER 146 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3fj4 h SER 146 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3fj4 h SER 146 CO 0.13 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 3fj4 n GLY 147 N 1.20 0.63 2.77 -0.77 0.00 -1.26 -4.91 105.19 102.85 3fj4 n GLY 147 Ca -0.01 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 3fj4 n GLY 147 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fj4 s ASP 148 N -2.39 0.64 0.11 1.61 2.15 -1.26 -5.06 116.67 112.47 3fj4 s ASP 148 Ca 0.00 0.18 -0.25 0.00 0.43 0.00 0.00 52.55 52.91 3fj4 s ASP 148 Cb 0.00 0.04 -0.08 0.00 -0.30 0.00 0.00 42.92 42.58 3fj4 s ASP 148 CO 0.00 -0.21 1.66 0.74 -0.17 0.00 0.00 175.17 177.19 3fj4 h THR 149 N 6.34 0.55 -0.63 1.71 2.02 -1.96 0.46 112.91 121.40 3fj4 h THR 149 Ca -0.23 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.00 3fj4 h THR 149 Cb 1.12 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 68.03 3fj4 h THR 149 CO 0.25 0.00 0.35 0.00 0.37 0.00 0.00 175.52 176.49 3fj4 h ALA 150 N 0.52 0.83 -0.55 6.16 0.00 -1.98 -0.98 119.26 123.25 3fj4 h ALA 150 Ca 0.04 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3fj4 h ALA 150 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3fj4 h ALA 150 CO -0.14 0.04 0.06 0.87 0.00 0.00 0.00 179.25 180.07 3fj4 h LYS 151 N 0.66 0.93 -0.72 0.00 1.57 -1.92 -2.11 116.57 114.98 3fj4 h LYS 151 Ca 0.27 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3fj4 h LYS 151 Cb 0.14 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3fj4 h LYS 151 CO -0.16 0.91 0.31 -0.44 -0.57 0.00 0.00 179.45 179.50 3fj4 h ASP 152 N 0.82 0.97 -0.32 0.86 3.32 -0.43 -1.24 116.42 120.40 3fj4 h ASP 152 Ca 0.16 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3fj4 h ASP 152 Cb 0.45 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3fj4 h ASP 152 CO 0.02 0.86 0.13 0.40 -1.72 0.00 0.00 179.24 178.92 3fj4 h ILE 153 N 1.02 1.18 -0.56 0.35 2.04 -1.05 -1.11 117.51 119.38 3fj4 h ILE 153 Ca 0.24 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 3fj4 h ILE 153 Cb 0.17 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3fj4 h ILE 153 CO -0.02 0.19 0.35 0.00 0.00 0.00 0.00 178.15 178.67 3fj4 h ALA 154 N 0.97 0.71 -0.51 1.87 0.00 -1.19 -0.29 119.26 120.83 3fj4 h ALA 154 Ca 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3fj4 h ALA 154 Cb 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3fj4 h ALA 154 CO -0.01 0.18 0.16 1.49 0.00 0.00 0.00 179.25 181.07 3fj4 h GLU 155 N 0.75 0.79 -0.56 0.00 4.81 -1.08 -0.93 114.58 118.36 3fj4 h GLU 155 Ca 0.20 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3fj4 h GLU 155 Cb -0.04 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3fj4 h GLU 155 CO -0.04 0.74 0.33 0.00 -0.73 0.00 0.00 179.01 179.31 3fj4 h ALA 156 N 1.02 0.71 -0.64 2.92 0.00 -0.89 -0.64 119.26 121.73 3fj4 h ALA 156 Ca 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3fj4 h ALA 156 Cb 0.27 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3fj4 h ALA 156 CO -0.01 0.21 0.31 1.96 0.00 0.00 0.00 179.25 181.72 3fj4 h GLN 157 N 0.75 0.91 -0.05 0.00 1.08 -0.76 -0.38 115.11 116.67 3fj4 h GLN 157 Ca 0.20 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 3fj4 h GLN 157 Cb 0.00 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.26 3fj4 h GLN 157 CO -0.04 0.71 0.01 -0.22 -0.95 0.00 0.00 178.83 178.34 3fj4 h LYS 158 N 0.91 0.08 -0.61 1.46 3.64 -0.56 -1.78 116.57 119.70 3fj4 h LYS 158 Ca 0.22 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3fj4 h LYS 158 Cb 0.09 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 3fj4 h LYS 158 CO -0.03 0.31 0.29 0.52 -2.27 0.00 0.00 179.45 178.28 3fj4 h MET 159 N -0.16 0.86 0.20 1.90 2.86 -0.80 -0.73 114.93 119.06 3fj4 h MET 159 Ca 0.02 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3fj4 h MET 159 Cb 0.27 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3fj4 h MET 159 CO 0.00 0.67 -0.09 -0.07 1.06 0.00 0.00 176.91 178.48 3fj4 h LEU 160 N 0.86 -0.22 -1.81 1.22 3.38 -0.94 0.32 115.31 118.12 3fj4 h LEU 160 Ca 0.21 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3fj4 h LEU 160 Cb 0.09 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3fj4 h LEU 160 CO -0.03 0.02 -0.13 0.44 0.09 0.00 0.00 178.44 178.83 3fj4 h ASP 161 N -0.47 0.00 0.43 -0.43 3.32 -1.08 -0.74 116.42 117.45 3fj4 h ASP 161 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3fj4 h ASP 161 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3fj4 h ASP 161 CO 0.04 0.13 -0.13 0.18 -1.72 0.00 0.00 179.24 177.75 3fj4 n LEU 162 N -3.60 0.43 -2.65 1.55 4.77 -0.30 -4.90 117.00 112.31 3fj4 n LEU 162 Ca -0.02 0.05 -0.19 0.00 -0.03 0.00 0.00 56.01 55.82 3fj4 n LEU 162 Cb 0.26 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3fj4 n LEU 162 CO 0.30 0.08 0.00 0.54 -1.33 0.00 0.00 177.39 176.99 3fj4 n ARG 163 N -1.04 -4.30 -0.10 3.23 1.74 -0.29 -4.80 116.66 111.09 3fj4 n ARG 163 Ca 0.13 0.79 -0.21 0.00 -0.77 0.00 0.00 57.85 57.79 3fj4 n ARG 163 Cb 0.29 -5.41 -0.11 0.00 -1.02 0.00 0.00 32.46 26.21 3fj4 n ARG 163 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3fj4 n ARG 164 N -3.61 0.56 -3.77 5.56 5.12 0.07 -0.64 116.66 119.95 3fj4 n ARG 164 Ca -0.10 0.56 -0.13 0.00 -1.93 0.00 0.00 57.85 56.25 3fj4 n ARG 164 Cb 0.61 -1.73 -0.10 0.00 -1.16 0.00 0.00 32.46 30.08 3fj4 n ARG 164 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3fj4 s HIS 165 N -2.37 -0.24 0.00 -1.55 3.76 -0.99 -3.61 115.29 110.29 3fj4 s HIS 165 Ca -0.29 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 3fj4 s HIS 165 Cb 0.06 0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.85 3fj4 s HIS 165 CO 0.56 -0.27 0.59 2.89 -0.85 0.00 0.00 174.74 177.66 3fj4 n ARG 166 N 2.09 0.78 -4.29 1.40 1.85 -1.26 -2.90 116.66 114.33 3fj4 n ARG 166 Ca -0.17 -0.73 -0.29 0.00 -1.00 0.00 0.00 57.85 55.65 3fj4 n ARG 166 Cb 0.57 -0.66 -0.17 0.00 -1.05 0.00 0.00 32.46 31.16 3fj4 n ARG 166 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3fj4 s ILE 167 N -0.27 1.55 -0.07 8.89 1.01 -1.26 -1.85 121.20 129.21 3fj4 s ILE 167 Ca 0.00 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.05 3fj4 s ILE 167 Cb 0.00 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 3fj4 s ILE 167 CO 0.00 0.45 -0.23 -0.36 0.00 0.00 0.00 174.94 174.81 3fj4 s PHE 168 N 1.19 2.30 -0.21 3.97 0.08 0.55 -0.65 117.98 125.21 3fj4 s PHE 168 Ca -0.02 -0.76 -0.04 0.00 0.12 0.00 0.00 56.93 56.22 3fj4 s PHE 168 Cb -0.14 -1.53 -0.02 0.00 -0.57 0.00 0.00 43.02 40.76 3fj4 s PHE 168 CO -0.05 -0.27 -0.02 0.21 -0.10 0.00 0.00 175.22 174.99 3fj4 s LYS 169 N 0.05 3.51 -0.22 0.44 2.20 0.01 -0.35 119.74 125.38 3fj4 s LYS 169 Ca -0.08 -0.57 -0.07 0.00 -0.36 0.00 0.00 55.97 54.89 3fj4 s LYS 169 Cb -0.15 -3.05 -0.03 0.00 -1.51 0.00 0.00 37.83 33.09 3fj4 s LYS 169 CO 0.05 -0.08 0.06 -0.51 -0.36 0.00 0.00 175.35 174.51 3fj4 s LEU 170 N 1.21 3.54 -0.12 5.43 1.02 0.78 -0.35 118.68 130.19 3fj4 s LEU 170 Ca 0.03 -0.11 -0.24 0.00 0.02 0.00 0.00 54.13 53.82 3fj4 s LEU 170 Cb -0.15 -1.92 -0.03 0.00 0.02 0.00 0.00 46.19 44.12 3fj4 s LEU 170 CO 0.00 0.05 0.77 -0.54 0.02 0.00 0.00 176.35 176.65 3fj4 s LYS 171 N 1.12 4.36 0.32 1.70 -0.14 -1.20 -0.86 119.74 125.03 3fj4 s LYS 171 Ca 0.04 0.94 0.04 0.00 -1.36 0.00 0.00 55.97 55.64 3fj4 s LYS 171 Cb -0.14 -3.52 -0.03 0.00 -1.68 0.00 0.00 37.83 32.46 3fj4 s LYS 171 CO 0.03 -0.15 0.19 0.96 -0.76 0.00 0.00 175.35 175.63 3fj4 s ILE 172 N 1.52 0.22 0.00 2.17 -4.36 -0.55 -4.92 121.20 115.27 3fj4 s ILE 172 Ca 0.38 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.77 3fj4 s ILE 172 Cb -0.17 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 41.06 3fj4 s ILE 172 CO 0.15 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.94 3fj4 n GLY 173 N -0.62 1.79 0.14 6.27 0.00 -1.26 -4.28 105.19 107.23 3fj4 n GLY 173 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 3fj4 n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fj4 h ALA 174 N 0.00 0.71 -3.92 4.61 0.00 -1.89 -3.47 119.26 115.30 3fj4 h ALA 174 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3fj4 h ALA 174 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3fj4 h ALA 174 CO 0.00 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.19 3fj4 n GLY 175 N 1.23 3.32 3.76 0.00 0.00 -1.26 -5.08 105.19 107.16 3fj4 n GLY 175 Ca 0.00 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 3fj4 n GLY 175 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fj4 s GLU 176 N -1.69 4.32 0.18 1.61 2.02 -1.26 -4.85 118.70 119.04 3fj4 s GLU 176 Ca 0.00 2.25 -0.17 0.00 0.02 0.00 0.00 54.97 57.07 3fj4 s GLU 176 Cb 0.00 -3.09 0.14 0.00 0.10 0.00 0.00 34.13 31.28 3fj4 s GLU 176 CO 0.00 -0.28 1.64 -0.24 0.02 0.00 0.00 175.26 176.40 3fj4 h VAL 177 N 3.25 0.44 0.00 2.63 3.04 -1.98 -1.22 116.25 122.42 3fj4 h VAL 177 Ca -0.48 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.18 3fj4 h VAL 177 Cb 1.22 0.44 -0.00 0.00 -2.01 0.00 0.00 31.29 30.94 3fj4 h VAL 177 CO 0.70 0.00 -0.14 0.44 -1.01 0.00 0.00 177.57 177.56 3fj4 h ASP 178 N -0.05 0.00 -0.12 3.17 3.32 -1.99 0.51 116.42 121.26 3fj4 h ASP 178 Ca 0.23 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.10 3fj4 h ASP 178 Cb 0.40 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.96 3fj4 h ASP 178 CO -0.52 0.14 -0.62 -0.09 -1.72 0.00 0.00 179.24 176.43 3fj4 h ARG 179 N 0.00 0.63 -0.53 3.56 2.43 -1.64 -1.96 114.38 116.86 3fj4 h ARG 179 Ca -0.00 -0.52 -0.11 0.00 -0.81 0.00 0.00 59.98 58.54 3fj4 h ARG 179 Cb 0.28 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3fj4 h ARG 179 CO 0.02 1.14 -0.09 -0.44 -1.51 0.00 0.00 179.97 179.09 3fj4 h ASP 180 N 0.28 0.97 -0.41 -3.80 3.32 -0.63 -2.02 116.42 114.13 3fj4 h ASP 180 Ca -0.04 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 3fj4 h ASP 180 Cb 1.27 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 3fj4 h ASP 180 CO 0.13 1.08 0.08 -0.07 -1.72 0.00 0.00 179.24 178.74 3fj4 h LEU 181 N 0.88 0.64 -0.93 1.55 3.38 -0.92 -1.64 115.31 118.28 3fj4 h LEU 181 Ca 0.14 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.90 3fj4 h LEU 181 Cb 0.64 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 3fj4 h LEU 181 CO 0.04 0.73 0.60 0.00 0.09 0.00 0.00 178.44 179.90 3fj4 h ALA 182 N 0.94 1.23 0.24 1.53 0.00 -1.23 -0.23 119.26 121.74 3fj4 h ALA 182 Ca 0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3fj4 h ALA 182 Cb 0.35 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3fj4 h ALA 182 CO 0.01 0.48 -0.18 1.25 0.00 0.00 0.00 179.25 180.80 3fj4 h HIS 183 N 1.17 -0.47 -0.36 0.00 -0.00 -1.07 0.35 115.15 114.78 3fj4 h HIS 183 Ca 0.37 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.73 3fj4 h HIS 183 Cb -0.00 0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.56 3fj4 h HIS 183 CO -0.01 -0.28 0.20 0.28 -0.00 0.00 0.00 177.93 178.12 3fj4 h VAL 184 N -0.43 1.14 -0.73 5.26 2.07 -0.95 -2.16 116.25 120.45 3fj4 h VAL 184 Ca -0.02 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 3fj4 h VAL 184 Cb 0.37 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3fj4 h VAL 184 CO -0.00 0.14 0.22 0.40 0.02 0.00 0.00 177.57 178.35 3fj4 h ILE 185 N 0.46 1.26 -0.86 4.57 2.04 -0.94 -1.51 117.51 122.53 3fj4 h ILE 185 Ca 0.13 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 3fj4 h ILE 185 Cb 0.05 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 3fj4 h ILE 185 CO -0.02 0.36 0.42 0.00 0.00 0.00 0.00 178.15 178.90 3fj4 h ALA 186 N 1.14 1.11 -0.10 1.87 0.00 -0.71 -0.05 119.26 122.52 3fj4 h ALA 186 Ca 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3fj4 h ALA 186 Cb 0.31 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fj4 h ALA 186 CO -0.01 0.67 0.00 0.82 0.00 0.00 0.00 179.25 180.74 3fj4 h ILE 187 N 1.23 1.24 -0.84 0.00 2.04 -1.03 -1.58 117.51 118.57 3fj4 h ILE 187 Ca 0.30 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.39 3fj4 h ILE 187 Cb 0.11 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 3fj4 h ILE 187 CO -0.04 0.22 0.55 0.50 0.00 0.00 0.00 178.15 179.39 3fj4 h LYS 188 N -0.09 1.11 -0.78 2.37 1.63 -1.07 -1.79 116.57 117.95 3fj4 h LYS 188 Ca 0.03 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 3fj4 h LYS 188 Cb 0.34 -0.25 -0.04 0.00 -0.60 0.00 0.00 32.23 31.68 3fj4 h LYS 188 CO 0.00 0.74 0.42 -0.22 -3.45 0.00 0.00 179.45 176.94 3fj4 h LYS 189 N 1.15 1.08 -0.22 1.90 3.64 -0.87 0.25 116.57 123.49 3fj4 h LYS 189 Ca 0.31 -0.12 -0.15 0.00 -1.27 0.00 0.00 60.65 59.41 3fj4 h LYS 189 Cb -0.13 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.47 3fj4 h LYS 189 CO -0.07 0.80 -0.48 0.00 -2.27 0.00 0.00 179.45 177.43 3fj4 h ALA 190 N 1.37 0.75 0.03 5.00 0.00 -0.70 -3.29 119.26 122.42 3fj4 h ALA 190 Ca 0.27 -0.48 -0.28 0.00 0.00 0.00 0.00 54.91 54.42 3fj4 h ALA 190 Cb 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3fj4 h ALA 190 CO -0.04 0.67 -1.53 -0.07 0.00 0.00 0.00 179.25 178.27 3fj4 h LEU 191 N 0.47 0.10 0.00 0.00 3.38 -1.08 -3.50 115.31 114.68 3fj4 h LEU 191 Ca 0.02 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3fj4 h LEU 191 Cb 1.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3fj4 h LEU 191 CO 0.09 1.15 0.00 0.61 0.09 0.00 0.00 178.44 180.38 3fj4 n GLY 192 N 1.56 2.40 0.00 0.83 0.00 0.85 -2.88 105.19 107.95 3fj4 n GLY 192 Ca -0.14 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.53 3fj4 n GLY 192 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fj4 n ASP 193 N 0.91 0.00 0.09 1.61 8.00 -1.26 -3.44 116.55 122.46 3fj4 n ASP 193 Ca 0.00 0.02 0.11 0.00 0.71 0.00 0.00 54.79 55.63 3fj4 n ASP 193 Cb 0.00 -0.32 0.45 0.00 -0.02 0.00 0.00 41.12 41.22 3fj4 n ASP 193 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3fj4 n SER 194 N -1.32 0.51 -3.80 -2.24 3.41 -1.14 -4.83 113.62 104.20 3fj4 n SER 194 Ca 0.11 0.61 -0.10 0.00 -0.26 0.00 0.00 58.87 59.23 3fj4 n SER 194 Cb 0.23 -0.72 -0.07 0.00 -0.26 0.00 0.00 64.21 63.39 3fj4 n SER 194 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fj4 s ALA 195 N -3.20 -0.43 -0.20 7.33 0.00 -1.22 -4.93 121.76 119.12 3fj4 s ALA 195 Ca 0.06 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.52 3fj4 s ALA 195 Cb 0.10 0.49 -0.05 0.00 0.00 0.00 0.00 23.12 23.67 3fj4 s ALA 195 CO 0.41 -0.51 0.12 0.45 0.00 0.00 0.00 175.76 176.22 3fj4 s SER 196 N -2.70 6.08 -0.11 0.00 0.15 -0.77 -4.83 113.70 111.53 3fj4 s SER 196 Ca 0.03 0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.89 3fj4 s SER 196 Cb 0.03 -2.06 -0.01 0.00 -1.71 0.00 0.00 66.02 62.27 3fj4 s SER 196 CO -0.10 0.18 -0.17 -0.69 1.20 0.00 0.00 173.24 173.67 3fj4 s VAL 197 N 0.36 2.76 0.18 4.45 1.01 -1.26 -0.33 120.40 127.57 3fj4 s VAL 197 Ca 0.07 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3fj4 s VAL 197 Cb -0.11 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 3fj4 s VAL 197 CO -0.02 0.54 0.00 -0.13 0.00 0.00 0.00 175.10 175.50 3fj4 s ARG 198 N 0.20 1.14 0.20 2.72 0.52 0.53 -0.77 118.95 123.50 3fj4 s ARG 198 Ca -0.10 -1.55 0.08 0.00 -0.52 0.00 0.00 55.73 53.63 3fj4 s ARG 198 Cb -0.16 -0.31 -0.05 0.00 0.52 0.00 0.00 34.95 34.95 3fj4 s ARG 198 CO 0.06 -0.13 -0.15 0.14 0.02 0.00 0.00 175.30 175.25 3fj4 s VAL 199 N -3.62 1.76 -0.06 3.52 -7.23 -0.73 -0.16 120.40 113.89 3fj4 s VAL 199 Ca 0.25 -2.20 -0.01 0.00 -1.81 0.00 0.00 61.98 58.20 3fj4 s VAL 199 Cb 0.06 -2.04 0.03 0.00 0.56 0.00 0.00 36.38 34.99 3fj4 s VAL 199 CO 0.05 -0.58 0.02 -0.62 -0.31 0.00 0.00 175.10 173.66 3fj4 s ASP 200 N -3.29 1.30 0.00 4.85 -1.08 -0.04 -0.97 116.67 117.44 3fj4 s ASP 200 Ca 0.22 -0.02 0.22 0.00 -0.52 0.00 0.00 52.55 52.46 3fj4 s ASP 200 Cb -0.01 -0.31 -0.04 0.00 -1.46 0.00 0.00 42.92 41.10 3fj4 s ASP 200 CO 0.07 -0.21 1.06 0.52 0.52 0.00 0.00 175.17 177.13 3fj4 n VAL 201 N 5.10 0.00 -4.12 1.11 0.31 -0.72 -1.49 118.33 118.52 3fj4 n VAL 201 Ca -0.08 -0.22 -0.32 0.00 -0.01 0.00 0.00 64.34 63.71 3fj4 n VAL 201 Cb 0.50 1.22 -0.02 0.00 -0.91 0.00 0.00 33.84 34.63 3fj4 n VAL 201 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3fj4 n ASN 202 N -0.23 -2.20 0.00 4.52 4.13 -1.19 -0.85 115.26 119.44 3fj4 n ASN 202 Ca 0.08 -1.01 0.00 0.00 1.68 0.00 0.00 54.58 55.34 3fj4 n ASN 202 Cb 0.45 -2.88 0.00 0.00 -1.54 0.00 0.00 39.78 35.80 3fj4 n ASN 202 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3fj4 n GLN 203 N -4.42 -0.59 0.26 3.52 6.02 0.31 -4.91 117.38 117.57 3fj4 n GLN 203 Ca -0.08 0.15 0.11 0.00 -0.01 0.00 0.00 57.00 57.17 3fj4 n GLN 203 Cb 0.57 -3.88 0.69 0.00 1.02 0.00 0.00 30.24 28.64 3fj4 n GLN 203 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fj4 h ALA 204 N 0.00 1.50 -2.41 -1.58 0.00 -1.09 -3.22 119.26 112.46 3fj4 h ALA 204 Ca 0.00 -0.10 -0.51 0.00 0.00 0.00 0.00 54.91 54.30 3fj4 h ALA 204 Cb 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3fj4 h ALA 204 CO 0.00 0.14 -0.10 -1.58 0.00 0.00 0.00 179.25 177.70 3fj4 s TRP 205 N -4.47 3.48 0.37 0.00 0.51 -0.73 -5.01 118.94 113.09 3fj4 s TRP 205 Ca -0.04 0.70 -0.09 0.00 -2.12 0.00 0.00 56.10 54.55 3fj4 s TRP 205 Cb 0.15 -2.15 -0.06 0.00 -0.81 0.00 0.00 33.47 30.59 3fj4 s TRP 205 CO 0.62 0.13 0.71 -0.51 -0.51 0.00 0.00 176.95 177.39 3fj4 s ASP 206 N -3.17 6.51 0.34 2.95 1.01 -1.26 -4.09 116.67 118.95 3fj4 s ASP 206 Ca 0.45 1.02 0.05 0.00 0.71 0.00 0.00 52.55 54.78 3fj4 s ASP 206 Cb -0.11 -2.27 0.69 0.00 1.01 0.00 0.00 42.92 42.24 3fj4 s ASP 206 CO 0.30 -0.34 1.90 -0.08 0.21 0.00 0.00 175.17 177.17 3fj4 h GLU 207 N 1.40 0.80 -0.59 8.23 4.81 -1.98 -0.27 114.58 126.98 3fj4 h GLU 207 Ca -0.47 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 58.80 3fj4 h GLU 207 Cb 1.19 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 3fj4 h GLU 207 CO 0.64 0.53 0.40 0.00 -0.73 0.00 0.00 179.01 179.85 3fj4 h ALA 208 N 1.57 1.96 0.13 2.92 0.00 -2.01 -0.35 119.26 123.48 3fj4 h ALA 208 Ca 0.40 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.05 3fj4 h ALA 208 Cb 0.43 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3fj4 h ALA 208 CO -0.16 -0.08 -1.17 0.28 0.00 0.00 0.00 179.25 178.12 3fj4 h VAL 209 N 0.45 1.23 -0.65 0.00 2.07 -1.54 -3.38 116.25 114.43 3fj4 h VAL 209 Ca 0.27 -2.46 -0.02 0.00 0.82 0.00 0.00 66.70 65.31 3fj4 h VAL 209 Cb 0.46 2.92 -0.03 0.00 -1.52 0.00 0.00 31.29 33.12 3fj4 h VAL 209 CO -0.08 0.71 0.34 0.00 0.02 0.00 0.00 177.57 178.56 3fj4 h ALA 210 N 0.01 1.37 -0.05 1.67 0.00 -0.58 -1.53 119.26 120.14 3fj4 h ALA 210 Ca -0.24 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.58 3fj4 h ALA 210 Cb 1.72 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 3fj4 h ALA 210 CO 0.10 0.51 0.04 1.37 0.00 0.00 0.00 179.25 181.27 3fj4 h LEU 211 N 0.91 0.00 0.03 0.00 8.10 -1.25 0.95 115.31 124.04 3fj4 h LEU 211 Ca 0.23 0.00 -0.29 0.00 0.11 0.00 0.00 57.88 57.93 3fj4 h LEU 211 Cb 0.05 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.24 3fj4 h LEU 211 CO -0.03 0.00 -1.59 -1.14 -4.11 0.00 0.00 178.44 171.57 3fj4 n ARG 212 N -4.22 0.61 -0.37 0.17 0.63 -1.02 -4.06 116.66 108.40 3fj4 n ARG 212 Ca -0.02 0.47 0.02 0.00 -0.92 0.00 0.00 57.85 57.40 3fj4 n ARG 212 Cb 0.14 -1.71 0.16 0.00 0.45 0.00 0.00 32.46 31.50 3fj4 n ARG 212 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fj4 h ALA 213 N -0.41 1.36 -0.52 5.13 0.00 -1.02 -1.98 119.26 121.82 3fj4 h ALA 213 Ca -0.41 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 3fj4 h ALA 213 Cb 1.51 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3fj4 h ALA 213 CO -0.17 0.49 0.06 0.00 0.00 0.00 0.00 179.25 179.63 3fj4 h ARG 215 N 0.80 0.85 -0.08 0.00 3.08 -1.53 -0.60 114.38 116.90 3fj4 h ARG 215 Ca 0.16 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3fj4 h ARG 215 Cb 0.39 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 3fj4 h ARG 215 CO 0.01 0.81 0.03 0.82 -1.07 0.00 0.00 179.97 180.56 3fj4 h ILE 216 N 0.75 1.17 -0.20 2.04 2.04 -1.03 -1.80 117.51 120.47 3fj4 h ILE 216 Ca 0.17 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3fj4 h ILE 216 Cb 0.34 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3fj4 h ILE 216 CO 0.00 0.14 0.13 -0.07 0.00 0.00 0.00 178.15 178.36 3fj4 h LEU 217 N -0.05 0.23 -1.99 1.44 3.38 -1.12 -2.21 115.31 114.99 3fj4 h LEU 217 Ca 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3fj4 h LEU 217 Cb 0.20 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3fj4 h LEU 217 CO -0.00 0.17 -0.04 1.23 0.09 0.00 0.00 178.44 179.90 3fj4 h GLY 218 N 0.27 0.00 0.09 0.83 0.00 -1.07 -0.33 103.07 102.86 3fj4 h GLY 218 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3fj4 h GLY 218 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.13 3fj4 n GLY 219 N -1.39 -0.39 0.70 4.60 0.00 -0.68 -4.00 105.19 104.04 3fj4 n GLY 219 Ca -0.03 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.71 3fj4 n GLY 219 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fj4 n ASN 220 N -0.28 1.62 -0.10 1.61 3.02 -0.15 -4.99 115.26 115.99 3fj4 n ASN 220 Ca 0.21 -3.55 -0.01 0.00 -0.03 0.00 0.00 54.58 51.19 3fj4 n ASN 220 Cb 0.25 -0.49 -0.01 0.00 -0.61 0.00 0.00 39.78 38.93 3fj4 n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fj4 n GLY 221 N -0.88 0.49 3.68 7.41 0.00 -1.22 -4.90 105.19 109.77 3fj4 n GLY 221 Ca 0.17 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 3fj4 n GLY 221 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fj4 s ILE 222 N -2.04 5.09 -0.19 -0.61 -1.09 -1.09 -4.57 121.20 116.70 3fj4 s ILE 222 Ca 0.00 1.09 0.17 0.00 -2.23 0.00 0.00 60.65 59.68 3fj4 s ILE 222 Cb 0.00 -3.90 0.06 0.00 -1.58 0.00 0.00 42.46 37.05 3fj4 s ILE 222 CO 0.00 0.20 1.34 0.44 -1.23 0.00 0.00 174.94 175.69 3fj4 h ASP 223 N 7.18 0.00 -4.23 3.58 3.32 -1.29 -3.41 116.42 121.57 3fj4 h ASP 223 Ca -0.36 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.61 3fj4 h ASP 223 Cb 1.16 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.50 3fj4 h ASP 223 CO 0.76 0.42 -0.03 -0.22 -1.72 0.00 0.00 179.24 178.45 3fj4 s LEU 224 N -6.25 -0.15 -0.28 1.55 2.96 -1.26 -4.36 118.68 110.88 3fj4 s LEU 224 Ca 0.03 0.97 0.03 0.00 -0.22 0.00 0.00 54.13 54.94 3fj4 s LEU 224 Cb 0.07 1.98 0.07 0.00 0.50 0.00 0.00 46.19 48.82 3fj4 s LEU 224 CO 0.75 -0.29 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.80 3fj4 s ILE 225 N -0.11 2.27 -0.09 6.68 1.01 -0.53 -1.77 121.20 128.65 3fj4 s ILE 225 Ca -0.03 -1.80 -0.23 0.00 0.00 0.00 0.00 60.65 58.58 3fj4 s ILE 225 Cb -0.03 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 3fj4 s ILE 225 CO 0.03 -0.18 0.71 -0.70 0.00 0.00 0.00 174.94 174.79 3fj4 s GLU 226 N 1.06 4.40 -0.49 2.79 2.12 -0.14 -1.14 118.70 127.29 3fj4 s GLU 226 Ca -0.04 0.87 -0.01 0.00 0.36 0.00 0.00 54.97 56.15 3fj4 s GLU 226 Cb -0.20 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.72 3fj4 s GLU 226 CO -0.05 -0.02 0.35 0.94 -0.54 0.00 0.00 175.26 175.94 3fj4 n GLN 227 N 4.10 -0.88 0.04 4.30 -0.06 0.10 -1.76 117.38 123.23 3fj4 n GLN 227 Ca -0.00 0.39 0.00 0.00 -2.00 0.00 0.00 57.00 55.39 3fj4 n GLN 227 Cb 0.51 -1.26 0.31 0.00 -4.06 0.00 0.00 30.24 25.74 3fj4 n GLN 227 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3fj4 h PRO 228 N 0.22 0.42 -5.09 3.69 0.13 -1.84 0.92 132.00 130.45 3fj4 h PRO 228 Ca -0.38 -0.10 -0.52 0.00 -0.87 0.00 0.00 66.00 64.13 3fj4 h PRO 228 Cb 0.82 -0.05 -0.13 0.00 0.13 0.00 0.00 31.00 31.76 3fj4 h PRO 228 CO 0.22 0.52 -0.55 0.96 -0.23 0.00 0.00 178.00 178.91 3fj4 s ILE 229 N -4.81 0.79 0.35 -3.56 -4.36 -1.26 -1.78 121.20 106.58 3fj4 s ILE 229 Ca -0.07 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.04 3fj4 s ILE 229 Cb 0.15 -2.51 -0.12 0.00 1.25 0.00 0.00 42.46 41.23 3fj4 s ILE 229 CO 0.76 0.00 1.40 -0.24 0.24 0.00 0.00 174.94 177.10 3fj4 n SER 230 N -1.04 3.27 0.25 4.36 2.88 -1.21 -4.34 113.62 117.78 3fj4 n SER 230 Ca -0.05 1.21 0.17 0.00 -1.33 0.00 0.00 58.87 58.87 3fj4 n SER 230 Cb 0.66 -1.55 0.86 0.00 -0.75 0.00 0.00 64.21 63.43 3fj4 n SER 230 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 3fj4 h ARG 231 N 2.93 0.00 0.00 -1.46 0.11 -1.92 -1.37 114.38 112.68 3fj4 h ARG 231 Ca -0.48 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.58 3fj4 h ARG 231 Cb 1.26 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.34 3fj4 h ARG 231 CO 0.65 0.00 -0.10 -0.91 0.10 0.00 0.00 179.97 179.71 3fj4 h ASN 232 N 0.00 0.00 -1.75 0.08 -0.26 -1.98 -3.35 115.58 108.31 3fj4 h ASN 232 Ca 0.00 0.00 -0.75 0.00 -0.56 0.00 0.00 56.30 54.99 3fj4 h ASN 232 Cb 0.07 0.00 -0.17 0.00 -1.06 0.00 0.00 38.32 37.16 3fj4 h ASN 232 CO 0.00 0.10 1.72 -3.20 -1.06 0.00 0.00 177.43 174.99 3fj4 n ASN 233 N -3.13 5.21 0.00 5.81 2.85 -0.52 -4.77 115.26 120.71 3fj4 n ASN 233 Ca 0.03 -3.08 -0.11 0.00 -0.11 0.00 0.00 54.58 51.31 3fj4 n ASN 233 Cb 0.54 -1.49 -0.05 0.00 1.24 0.00 0.00 39.78 40.01 3fj4 n ASN 233 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 3fj4 h ARG 234 N 6.18 0.12 -0.28 1.20 3.08 -1.81 -1.94 114.38 120.93 3fj4 h ARG 234 Ca 0.36 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.35 3fj4 h ARG 234 Cb 0.71 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 3fj4 h ARG 234 CO 1.48 0.08 -0.06 0.00 -1.07 0.00 0.00 179.97 180.40 3fj4 h ALA 235 N 1.03 1.39 -0.47 0.04 0.00 -1.95 -2.95 119.26 116.34 3fj4 h ALA 235 Ca 0.03 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3fj4 h ALA 235 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3fj4 h ALA 235 CO -0.01 0.42 -0.23 0.78 0.00 0.00 0.00 179.25 180.21 3fj4 h GLY 236 N 0.82 1.06 1.02 0.00 0.00 -1.86 -1.96 103.07 102.15 3fj4 h GLY 236 Ca 0.09 -0.95 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 3fj4 h GLY 236 CO 0.02 0.86 0.56 -0.33 0.00 0.00 0.00 176.54 177.64 3fj4 h MET 237 N 0.84 1.26 -0.19 4.80 2.07 -1.20 0.15 114.93 122.66 3fj4 h MET 237 Ca 0.11 -0.12 -0.01 0.00 -2.07 0.00 0.00 59.70 57.61 3fj4 h MET 237 Cb 0.81 -0.26 -0.01 0.00 -1.87 0.00 0.00 31.60 30.26 3fj4 h MET 237 CO 0.07 0.88 0.09 0.28 1.07 0.00 0.00 176.91 179.30 3fj4 h VAL 238 N 1.28 1.14 -0.84 -2.22 2.07 -1.39 -2.31 116.25 113.99 3fj4 h VAL 238 Ca 0.33 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3fj4 h VAL 238 Cb -0.05 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3fj4 h VAL 238 CO -0.06 0.14 0.54 0.03 0.02 0.00 0.00 177.57 178.24 3fj4 h ARG 239 N 0.17 1.12 -0.05 1.57 3.08 -0.88 -2.44 114.38 116.94 3fj4 h ARG 239 Ca 0.07 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3fj4 h ARG 239 Cb 0.14 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3fj4 h ARG 239 CO -0.01 0.76 -0.34 -0.07 -1.07 0.00 0.00 179.97 179.24 3fj4 h LEU 240 N 1.15 0.10 -1.43 3.04 3.38 -0.72 -2.32 115.31 118.51 3fj4 h LEU 240 Ca 0.31 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3fj4 h LEU 240 Cb -0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3fj4 h LEU 240 CO -0.06 0.44 0.23 0.78 0.09 0.00 0.00 178.44 179.91 3fj4 h ASN 241 N 0.09 0.54 -0.06 -0.43 2.35 -0.91 0.10 115.58 117.26 3fj4 h ASN 241 Ca 0.01 -0.04 -0.23 0.00 -0.55 0.00 0.00 56.30 55.49 3fj4 h ASN 241 Cb 0.65 -0.14 0.02 0.00 0.05 0.00 0.00 38.32 38.89 3fj4 h ASN 241 CO 0.05 0.46 -0.88 0.00 -1.65 0.00 0.00 177.43 175.40 3fj4 h ALA 242 N 1.64 0.19 0.00 -0.83 0.00 -1.41 -3.33 119.26 115.52 3fj4 h ALA 242 Ca 0.16 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 3fj4 h ALA 242 Cb 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3fj4 h ALA 242 CO -0.02 0.63 -0.82 0.66 0.00 0.00 0.00 179.25 179.70 3fj4 h SER 243 N 0.39 0.00 -3.22 0.00 4.64 -1.24 -3.45 113.55 110.67 3fj4 h SER 243 Ca -0.09 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.67 3fj4 h SER 243 Cb 1.53 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.59 3fj4 h SER 243 CO 0.18 0.48 0.59 -0.55 -0.87 0.00 0.00 176.83 176.66 3fj4 s SER 244 N -6.16 7.19 0.00 4.97 0.15 0.34 -4.79 113.70 115.39 3fj4 s SER 244 Ca 0.02 1.66 0.29 0.00 0.70 0.00 0.00 55.95 58.62 3fj4 s SER 244 Cb 0.08 -2.56 1.32 0.00 -1.71 0.00 0.00 66.02 63.15 3fj4 s SER 244 CO 0.77 -0.47 1.95 -0.81 1.20 0.00 0.00 173.24 175.87 3fj4 n PRO 245 N 4.89 0.28 -4.67 5.44 -0.04 -1.26 -4.71 135.00 134.93 3fj4 n PRO 245 Ca 0.09 -0.03 -0.34 0.00 -0.04 0.00 0.00 63.50 63.19 3fj4 n PRO 245 Cb 0.48 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.32 3fj4 n PRO 245 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fj4 s ALA 246 N -2.74 2.92 0.52 0.55 0.00 -1.26 -4.98 121.76 116.77 3fj4 s ALA 246 Ca 0.22 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 51.06 3fj4 s ALA 246 Cb 0.20 -1.19 -0.06 0.00 0.00 0.00 0.00 23.12 22.07 3fj4 s ALA 246 CO 0.50 0.56 1.30 -1.25 0.00 0.00 0.00 175.76 176.87 3fj4 s PRO 247 N -0.75 3.31 -0.12 0.00 0.04 -1.26 -4.81 135.00 131.41 3fj4 s PRO 247 Ca 0.11 2.09 -0.03 0.00 0.04 0.00 0.00 61.00 63.22 3fj4 s PRO 247 Cb -0.11 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 3fj4 s PRO 247 CO 0.01 -1.01 -0.03 0.42 0.04 0.00 0.00 177.00 176.43 3fj4 s ILE 248 N -1.38 3.98 -0.10 0.56 1.01 -1.26 -1.46 121.20 122.55 3fj4 s ILE 248 Ca 0.69 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.99 3fj4 s ILE 248 Cb -0.37 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 3fj4 s ILE 248 CO 0.44 0.54 -0.05 -0.32 0.00 0.00 0.00 174.94 175.54 3fj4 s MET 249 N -0.14 3.08 -0.07 2.79 -2.45 -0.29 -1.91 119.30 120.31 3fj4 s MET 249 Ca 0.03 -0.52 -0.18 0.00 -1.25 0.00 0.00 55.69 53.77 3fj4 s MET 249 Cb -0.13 -2.72 -0.05 0.00 1.25 0.00 0.00 34.83 33.18 3fj4 s MET 249 CO 0.02 0.53 0.48 0.00 1.05 0.00 0.00 175.02 177.11 3fj4 s ALA 250 N -0.43 3.52 0.00 4.11 0.00 -0.43 0.02 121.76 128.55 3fj4 s ALA 250 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.87 3fj4 s ALA 250 Cb -0.12 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.39 3fj4 s ALA 250 CO 0.02 0.13 0.00 -3.47 0.00 0.00 0.00 175.76 172.44 3fj4 n ASP 251 N 3.11 0.00 0.32 0.00 2.03 -1.26 -1.41 116.55 119.33 3fj4 n ASP 251 Ca -0.08 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.41 3fj4 n ASP 251 Cb 0.52 0.00 1.05 0.00 -0.72 0.00 0.00 41.12 41.97 3fj4 n ASP 251 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3fj4 h GLU 252 N 0.00 0.00 0.00 -0.67 3.07 -1.96 0.02 114.58 115.04 3fj4 h GLU 252 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3fj4 h GLU 252 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3fj4 h GLU 252 CO 0.00 0.00 -0.02 0.77 -1.40 0.00 0.00 179.01 178.36 3fj4 h SER 253 N 0.00 0.00 -3.39 1.42 0.02 -1.93 -3.38 113.55 106.29 3fj4 h SER 253 Ca -0.00 0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.22 3fj4 h SER 253 Cb 0.01 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.33 3fj4 h SER 253 CO 0.00 0.02 -0.37 -0.63 -1.14 0.00 0.00 176.83 174.71 3fj4 s ILE 254 N -4.07 5.24 -0.00 3.27 1.01 -0.01 -4.82 121.20 121.83 3fj4 s ILE 254 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3fj4 s ILE 254 Cb 0.12 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.56 3fj4 s ILE 254 CO 0.49 -0.46 1.00 -0.62 0.00 0.00 0.00 174.94 175.36 3fj4 n GLU 255 N 5.19 2.96 -3.60 2.79 1.02 -1.26 -4.86 120.64 122.88 3fj4 n GLU 255 Ca -0.12 -1.52 -0.00 0.00 -0.02 0.00 0.00 57.16 55.50 3fj4 n GLU 255 Cb 0.45 -1.01 -0.01 0.00 -0.02 0.00 0.00 31.44 30.85 3fj4 n GLU 255 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fj4 h VAL 257 N 2.00 1.25 -0.78 0.00 2.07 -1.86 -2.41 116.25 116.52 3fj4 h VAL 257 Ca -0.18 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3fj4 h VAL 257 Cb 1.17 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3fj4 h VAL 257 CO 0.25 0.24 0.52 -0.33 0.02 0.00 0.00 177.57 178.26 3fj4 h GLU 258 N 1.29 0.99 -0.99 1.57 3.07 -1.99 -1.57 114.58 116.96 3fj4 h GLU 258 Ca 0.35 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 59.17 3fj4 h GLU 258 Cb -0.13 -0.22 -0.05 0.00 -0.84 0.00 0.00 28.75 27.50 3fj4 h GLU 258 CO -0.07 0.66 0.65 -0.44 -1.40 0.00 0.00 179.01 178.40 3fj4 h ASP 259 N 1.02 1.10 -0.56 1.42 3.32 -1.78 -1.31 116.42 119.65 3fj4 h ASP 259 Ca 0.30 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.37 3fj4 h ASP 259 Cb -0.05 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.19 3fj4 h ASP 259 CO -0.07 0.78 0.31 0.00 -1.72 0.00 0.00 179.24 178.53 3fj4 h ALA 260 N 1.38 0.72 -0.16 3.45 0.00 -1.22 0.11 119.26 123.54 3fj4 h ALA 260 Ca 0.38 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3fj4 h ALA 260 Cb -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3fj4 h ALA 260 CO -0.10 -0.00 0.08 0.35 0.00 0.00 0.00 179.25 179.58 3fj4 h PHE 261 N 0.61 0.23 -0.77 0.00 3.57 -1.07 -1.55 116.94 117.95 3fj4 h PHE 261 Ca 0.24 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 3fj4 h PHE 261 Cb 0.09 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 3fj4 h PHE 261 CO -0.08 0.25 0.40 -0.91 -2.23 0.00 0.00 178.31 175.74 3fj4 h ASN 262 N 0.14 0.97 -0.63 0.41 -0.26 -0.77 0.14 115.58 115.59 3fj4 h ASN 262 Ca 0.06 -0.09 -0.06 0.00 -0.56 0.00 0.00 56.30 55.64 3fj4 h ASN 262 Cb 0.11 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.09 3fj4 h ASN 262 CO -0.01 0.80 0.14 -0.07 -1.06 0.00 0.00 177.43 177.23 3fj4 h LEU 263 N 1.08 0.97 -0.57 1.61 3.38 -0.67 -0.73 115.31 120.39 3fj4 h LEU 263 Ca 0.27 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3fj4 h LEU 263 Cb 0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3fj4 h LEU 263 CO -0.04 0.96 -0.04 0.00 0.09 0.00 0.00 178.44 179.41 3fj4 h ALA 264 N 1.05 0.77 -0.56 1.53 0.00 -0.67 0.17 119.26 121.54 3fj4 h ALA 264 Ca 0.20 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3fj4 h ALA 264 Cb 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3fj4 h ALA 264 CO 0.00 0.63 0.26 -0.09 0.00 0.00 0.00 179.25 180.06 3fj4 h ARG 265 N 0.91 0.81 0.00 0.00 2.43 -0.46 -3.10 114.38 114.97 3fj4 h ARG 265 Ca 0.16 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 3fj4 h ARG 265 Cb 0.60 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3fj4 h ARG 265 CO 0.04 0.66 -0.63 0.93 -1.51 0.00 0.00 179.97 179.46 3fj4 h GLU 266 N 0.75 0.00 -0.72 0.20 5.08 -1.02 -3.48 114.58 115.39 3fj4 h GLU 266 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3fj4 h GLU 266 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3fj4 h GLU 266 CO -0.02 0.63 0.00 0.41 -1.00 0.00 0.00 179.01 179.03 3fj4 n GLY 267 N 1.21 0.97 0.20 -3.84 0.00 0.45 -4.91 105.19 99.27 3fj4 n GLY 267 Ca 0.01 -0.50 0.14 0.00 0.00 0.00 0.00 46.02 45.67 3fj4 n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fj4 h ALA 268 N 0.00 1.00 -1.90 4.61 0.00 -1.46 -3.40 119.26 118.10 3fj4 h ALA 268 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3fj4 h ALA 268 Cb 0.73 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.33 3fj4 h ALA 268 CO 0.00 0.00 0.44 0.00 0.00 0.00 0.00 179.25 179.69 3fj4 s ALA 269 N -3.36 -1.85 -2.11 0.00 0.00 -1.26 -4.45 121.76 108.73 3fj4 s ALA 269 Ca 0.05 1.34 0.24 0.00 0.00 0.00 0.00 51.96 53.58 3fj4 s ALA 269 Cb 0.08 -0.20 0.19 0.00 0.00 0.00 0.00 23.12 23.19 3fj4 s ALA 269 CO 0.57 -0.44 1.22 -1.13 0.00 0.00 0.00 175.76 175.98 3fj4 n SER 270 N 0.47 1.94 -3.83 0.00 3.41 -0.80 -4.89 113.62 109.91 3fj4 n SER 270 Ca -0.12 -1.45 -0.12 0.00 -0.26 0.00 0.00 58.87 56.91 3fj4 n SER 270 Cb 0.59 0.35 -0.13 0.00 -0.26 0.00 0.00 64.21 64.75 3fj4 n SER 270 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3fj4 s VAL 271 N -2.41 -0.01 -0.09 -3.33 1.01 -1.17 -1.10 120.40 113.31 3fj4 s VAL 271 Ca 0.21 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.24 3fj4 s VAL 271 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.42 3fj4 s VAL 271 CO 0.52 0.01 -0.16 -0.36 0.00 0.00 0.00 175.10 175.11 3fj4 s PHE 272 N 0.15 2.70 0.16 5.22 0.08 0.07 -1.32 117.98 125.04 3fj4 s PHE 272 Ca -0.01 -0.48 -0.26 0.00 0.12 0.00 0.00 56.93 56.30 3fj4 s PHE 272 Cb -0.02 -1.71 -0.08 0.00 -0.57 0.00 0.00 43.02 40.64 3fj4 s PHE 272 CO -0.00 -0.06 0.81 0.00 -0.10 0.00 0.00 175.22 175.86 3fj4 s ALA 273 N -0.16 3.41 -0.28 5.36 0.00 -0.50 -1.81 121.76 127.78 3fj4 s ALA 273 Ca -0.01 0.40 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 3fj4 s ALA 273 Cb -0.14 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 19.98 3fj4 s ALA 273 CO 0.03 0.23 0.04 -0.51 0.00 0.00 0.00 175.76 175.55 3fj4 s LEU 274 N -0.94 3.62 -0.10 0.00 1.43 0.87 -4.88 118.68 118.68 3fj4 s LEU 274 Ca 0.37 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 3fj4 s LEU 274 Cb -0.23 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.20 3fj4 s LEU 274 CO 0.27 -0.16 -0.09 -0.54 0.23 0.00 0.00 176.35 176.06 3fj4 s LYS 275 N 1.45 1.57 0.44 1.70 1.02 -1.26 -0.15 119.74 124.50 3fj4 s LYS 275 Ca 0.02 -0.29 0.10 0.00 0.02 0.00 0.00 55.97 55.82 3fj4 s LYS 275 Cb -0.17 -1.55 0.97 0.00 -0.52 0.00 0.00 37.83 36.55 3fj4 s LYS 275 CO 0.00 -0.21 2.05 -0.84 -0.92 0.00 0.00 175.35 175.44 3fj4 h ILE 276 N 6.13 1.09 -0.11 2.17 3.07 -1.85 -1.99 117.51 126.01 3fj4 h ILE 276 Ca -0.30 -0.27 -0.10 0.00 1.55 0.00 0.00 64.86 65.74 3fj4 h ILE 276 Cb 1.14 0.82 -0.01 0.00 -0.27 0.00 0.00 36.82 38.50 3fj4 h ILE 276 CO 0.43 0.10 -0.36 0.00 -1.05 0.00 0.00 178.15 177.27 3fj4 h ALA 277 N 1.80 1.19 0.00 0.16 0.00 -1.90 0.26 119.26 120.77 3fj4 h ALA 277 Ca 0.08 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 3fj4 h ALA 277 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3fj4 h ALA 277 CO -0.01 0.55 -0.56 0.87 0.00 0.00 0.00 179.25 180.10 3fj4 h LYS 278 N 0.20 0.00 0.00 0.00 1.79 -1.68 -2.77 116.57 114.11 3fj4 h LYS 278 Ca 0.02 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.34 3fj4 h LYS 278 Cb 0.73 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.35 3fj4 h LYS 278 CO 0.06 0.28 -2.13 0.09 -1.08 0.00 0.00 179.45 176.67 3fj4 n ASN 279 N -3.08 0.14 0.00 0.86 3.02 -0.99 -3.14 115.26 112.07 3fj4 n ASN 279 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 3fj4 n ASN 279 Cb 0.67 1.56 0.00 0.00 -0.61 0.00 0.00 39.78 41.41 3fj4 n ASN 279 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fj4 n GLY 280 N 1.50 1.89 0.00 7.41 0.00 -0.33 -4.63 105.19 111.02 3fj4 n GLY 280 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3fj4 n GLY 280 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fj4 n GLY 281 N -0.57 2.44 0.29 -0.02 0.00 0.78 -3.77 105.19 104.34 3fj4 n GLY 281 Ca 0.00 -2.15 0.03 0.00 0.00 0.00 0.00 46.02 43.90 3fj4 n GLY 281 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fj4 h PRO 282 N 0.00 0.65 -0.28 1.61 0.11 -1.86 -1.20 132.00 131.03 3fj4 h PRO 282 Ca 0.00 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.99 3fj4 h PRO 282 Cb 0.00 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 3fj4 h PRO 282 CO 0.00 0.43 -0.14 0.00 -0.21 0.00 0.00 178.00 178.08 3fj4 h ARG 283 N 0.67 0.60 -0.41 1.05 3.08 -1.97 -1.84 114.38 115.55 3fj4 h ARG 283 Ca 0.39 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3fj4 h ARG 283 Cb 0.42 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3fj4 h ARG 283 CO -0.28 0.84 -0.00 0.00 -1.07 0.00 0.00 179.97 179.46 3fj4 h ALA 284 N 0.74 1.22 -0.14 0.04 0.00 -1.77 -1.98 119.26 117.38 3fj4 h ALA 284 Ca 0.06 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3fj4 h ALA 284 Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3fj4 h ALA 284 CO 0.04 0.51 -0.29 1.15 0.00 0.00 0.00 179.25 180.67 3fj4 h THR 285 N 0.63 1.26 0.00 0.00 2.02 -1.07 -1.83 112.91 113.92 3fj4 h THR 285 Ca 0.13 -1.22 -0.07 0.00 0.77 0.00 0.00 66.41 66.02 3fj4 h THR 285 Cb 0.40 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3fj4 h THR 285 CO 0.02 0.37 -0.31 -0.07 0.37 0.00 0.00 175.52 175.89 3fj4 h LEU 286 N 0.23 0.00 -0.17 2.58 3.38 -0.59 -0.65 115.31 120.09 3fj4 h LEU 286 Ca 0.03 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 3fj4 h LEU 286 Cb 0.64 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.39 3fj4 h LEU 286 CO 0.05 0.31 -0.77 0.03 0.09 0.00 0.00 178.44 178.15 3fj4 h ARG 287 N 0.00 0.79 -0.71 1.13 3.08 -0.94 -0.99 114.38 116.75 3fj4 h ARG 287 Ca -0.00 -0.64 -0.05 0.00 0.07 0.00 0.00 59.98 59.36 3fj4 h ARG 287 Cb 0.79 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 3fj4 h ARG 287 CO 0.04 1.25 0.25 1.15 -1.07 0.00 0.00 179.97 181.59 3fj4 h THR 288 N 0.54 1.25 -0.52 2.04 2.02 -0.99 -1.56 112.91 115.68 3fj4 h THR 288 Ca -0.05 -0.82 -0.07 0.00 0.77 0.00 0.00 66.41 66.24 3fj4 h THR 288 Cb 1.40 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 3fj4 h THR 288 CO 0.16 0.32 0.03 0.00 0.37 0.00 0.00 175.52 176.40 3fj4 h ALA 289 N 1.24 1.06 -0.65 6.16 0.00 -0.98 -1.46 119.26 124.63 3fj4 h ALA 289 Ca 0.23 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3fj4 h ALA 289 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3fj4 h ALA 289 CO -0.01 0.59 0.07 0.00 0.00 0.00 0.00 179.25 179.90 3fj4 h ALA 290 N 1.21 0.90 -0.25 0.00 0.00 -0.62 -0.17 119.26 120.34 3fj4 h ALA 290 Ca 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3fj4 h ALA 290 Cb 0.45 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3fj4 h ALA 290 CO 0.02 0.67 0.09 0.82 0.00 0.00 0.00 179.25 180.84 3fj4 h ILE 291 N 1.01 1.18 -0.14 0.00 2.04 -0.97 -1.03 117.51 119.61 3fj4 h ILE 291 Ca 0.19 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3fj4 h ILE 291 Cb 0.48 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3fj4 h ILE 291 CO 0.02 0.19 0.09 0.00 0.00 0.00 0.00 178.15 178.45 3fj4 h ALA 292 N 0.93 0.17 -0.79 1.87 0.00 -1.02 -1.99 119.26 118.42 3fj4 h ALA 292 Ca 0.08 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3fj4 h ALA 292 Cb 0.21 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3fj4 h ALA 292 CO -0.00 -0.33 0.51 0.93 0.00 0.00 0.00 179.25 180.35 3fj4 h GLU 293 N 0.18 0.95 0.00 0.00 5.08 -0.93 0.43 114.58 120.29 3fj4 h GLU 293 Ca 0.05 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3fj4 h GLU 293 Cb -0.01 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 3fj4 h GLU 293 CO -0.01 0.63 -0.12 0.00 -1.00 0.00 0.00 179.01 178.50 3fj4 h ALA 294 N 1.34 1.33 -0.05 3.43 0.00 -0.87 -2.12 119.26 122.32 3fj4 h ALA 294 Ca 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3fj4 h ALA 294 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3fj4 h ALA 294 CO -0.12 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3fj4 n ALA 295 N -2.30 2.49 -1.48 0.00 0.00 -0.54 -4.95 120.51 113.72 3fj4 n ALA 295 Ca -0.02 -0.64 -0.04 0.00 0.00 0.00 0.00 53.44 52.74 3fj4 n ALA 295 Cb 0.24 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 3fj4 n ALA 295 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fj4 n GLY 296 N 1.31 0.51 3.80 0.00 0.00 -0.61 -5.03 105.19 105.17 3fj4 n GLY 296 Ca 0.16 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 3fj4 n GLY 296 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fj4 s ILE 297 N -2.17 5.23 0.71 -0.61 1.01 0.03 -5.01 121.20 120.40 3fj4 s ILE 297 Ca 0.00 0.61 -0.14 0.00 0.00 0.00 0.00 60.65 61.13 3fj4 s ILE 297 Cb 0.00 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.87 3fj4 s ILE 297 CO 0.00 0.51 1.12 -0.83 0.00 0.00 0.00 174.94 175.74 3fj4 s GLY 298 N -0.45 2.04 0.05 6.18 0.00 -0.26 -4.15 107.32 110.73 3fj4 s GLY 298 Ca 0.19 0.53 0.07 0.00 0.00 0.00 0.00 44.72 45.51 3fj4 s GLY 298 CO 0.08 0.89 -0.17 1.08 0.00 0.00 0.00 173.10 174.99 3fj4 s LEU 299 N -5.27 2.69 -0.03 0.66 1.43 -1.26 -0.75 118.68 116.14 3fj4 s LEU 299 Ca 0.67 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 3fj4 s LEU 299 Cb -0.21 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.47 3fj4 s LEU 299 CO 0.47 0.24 -0.02 -0.47 0.23 0.00 0.00 176.35 176.80 3fj4 s TYR 300 N -0.97 0.47 -0.72 0.29 5.04 -0.75 -1.76 117.35 118.95 3fj4 s TYR 300 Ca 0.16 -0.08 -0.26 0.00 -2.44 0.00 0.00 57.07 54.45 3fj4 s TYR 300 Cb -0.11 -0.50 0.04 0.00 0.35 0.00 0.00 41.96 41.75 3fj4 s TYR 300 CO 0.06 -0.15 1.21 0.20 -1.34 0.00 0.00 175.55 175.54 3fj4 s GLY 301 N 0.95 0.99 0.66 8.97 0.00 0.46 -0.09 107.32 119.27 3fj4 s GLY 301 Ca -0.11 -1.48 -0.04 0.00 0.00 0.00 0.00 44.72 43.08 3fj4 s GLY 301 CO -0.01 2.52 0.95 -0.32 0.00 0.00 0.00 173.10 176.24 3fj4 s GLY 302 N 3.74 1.73 0.07 0.20 0.00 0.78 -0.43 107.32 113.41 3fj4 s GLY 302 Ca 0.32 -1.05 -0.09 0.00 0.00 0.00 0.00 44.72 43.90 3fj4 s GLY 302 CO 0.14 -0.68 0.20 -1.08 0.00 0.00 0.00 173.10 171.68 3fj4 s THR 303 N -3.12 0.13 -0.23 0.90 -1.32 -1.26 -4.61 115.64 106.13 3fj4 s THR 303 Ca 0.60 -1.03 0.12 0.00 -1.21 0.00 0.00 61.69 60.17 3fj4 s THR 303 Cb -0.10 -1.14 0.46 0.00 -1.51 0.00 0.00 72.50 70.21 3fj4 s THR 303 CO 0.43 -0.57 1.37 0.23 -2.21 0.00 0.00 174.62 173.87 3fj4 n MET 304 N 0.28 1.92 -3.21 7.08 2.81 -1.26 -4.93 117.12 119.82 3fj4 n MET 304 Ca -0.17 -3.06 -0.16 0.00 -1.81 0.00 0.00 57.70 52.51 3fj4 n MET 304 Cb 0.61 -1.74 0.06 0.00 -0.71 0.00 0.00 33.22 31.44 3fj4 n MET 304 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3fj4 n LEU 305 N -1.05 -3.13 -4.77 4.03 4.77 -1.26 -4.41 117.00 111.17 3fj4 n LEU 305 Ca 0.26 -0.40 -0.32 0.00 -0.03 0.00 0.00 56.01 55.51 3fj4 n LEU 305 Cb 0.89 -2.32 0.06 0.00 -2.33 0.00 0.00 43.42 39.71 3fj4 n LEU 305 CO 0.11 0.41 0.73 -1.61 -1.33 0.00 0.00 177.39 175.70 3fj4 s GLU 306 N -5.66 2.70 0.00 3.23 8.01 -1.26 -4.88 118.70 120.84 3fj4 s GLU 306 Ca 0.30 1.32 0.00 0.00 0.01 0.00 0.00 54.97 56.59 3fj4 s GLU 306 Cb -0.13 -1.94 0.00 0.00 -4.31 0.00 0.00 34.13 27.74 3fj4 s GLU 306 CO 0.52 -1.32 0.00 0.41 0.01 0.00 0.00 175.26 174.88 3fj4 n GLY 307 N -0.75 -1.02 0.30 -1.39 0.00 -1.26 -3.40 105.19 97.67 3fj4 n GLY 307 Ca 0.10 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.56 3fj4 n GLY 307 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fj4 h GLY 308 N -0.02 1.34 0.87 -0.02 0.00 -1.93 -1.53 103.07 101.78 3fj4 h GLY 308 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3fj4 h GLY 308 CO 0.00 -0.00 -0.20 -2.22 0.00 0.00 0.00 176.54 174.11 3fj4 h ILE 309 N 0.65 0.57 -0.16 2.60 2.04 -1.97 -0.89 117.51 120.34 3fj4 h ILE 309 Ca 0.44 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 66.01 3fj4 h ILE 309 Cb 0.58 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3fj4 h ILE 309 CO -0.34 0.04 -0.19 1.23 0.00 0.00 0.00 178.15 178.89 3fj4 h GLY 310 N -0.71 0.30 1.04 5.37 0.00 -1.83 -0.94 103.07 106.30 3fj4 h GLY 310 Ca -0.06 -0.21 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 3fj4 h GLY 310 CO 0.10 0.19 -0.29 -0.84 0.00 0.00 0.00 176.54 175.70 3fj4 h THR 311 N 0.25 1.28 -0.12 4.70 2.02 -1.24 -1.81 112.91 118.00 3fj4 h THR 311 Ca 0.05 -1.45 -0.16 0.00 0.77 0.00 0.00 66.41 65.62 3fj4 h THR 311 Cb 0.49 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 3fj4 h THR 311 CO 0.03 0.48 -0.60 -0.07 0.37 0.00 0.00 175.52 175.73 3fj4 h LEU 312 N 0.61 0.46 -0.78 2.58 3.38 -0.88 0.78 115.31 121.45 3fj4 h LEU 312 Ca 0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3fj4 h LEU 312 Cb 0.86 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3fj4 h LEU 312 CO 0.07 0.95 0.44 0.00 0.09 0.00 0.00 178.44 179.99 3fj4 h ALA 313 N 1.06 1.00 -0.08 1.53 0.00 -1.10 0.05 119.26 121.71 3fj4 h ALA 313 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3fj4 h ALA 313 Cb 1.13 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3fj4 h ALA 313 CO 0.10 0.49 0.00 0.77 0.00 0.00 0.00 179.25 180.62 3fj4 h SER 314 N 1.07 0.13 -0.53 0.00 0.02 -1.09 -3.20 113.55 109.95 3fj4 h SER 314 Ca 0.28 -0.30 0.07 0.00 -0.84 0.00 0.00 61.79 60.99 3fj4 h SER 314 Cb 0.01 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.46 3fj4 h SER 314 CO -0.05 0.40 0.22 0.00 -1.14 0.00 0.00 176.83 176.26 3fj4 h ALA 315 N 0.74 0.68 -0.51 3.77 0.00 -0.40 -1.72 119.26 121.82 3fj4 h ALA 315 Ca 0.02 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3fj4 h ALA 315 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3fj4 h ALA 315 CO 0.00 -0.16 0.34 0.45 0.00 0.00 0.00 179.25 179.88 3fj4 h HIS 316 N 0.42 0.57 -0.16 0.00 3.86 -1.02 -0.68 115.15 118.15 3fj4 h HIS 316 Ca 0.25 0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.34 3fj4 h HIS 316 Cb 0.25 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.53 3fj4 h HIS 316 CO -0.14 0.33 -0.46 0.00 0.86 0.00 0.00 177.93 178.53 3fj4 h ALA 317 N 1.70 0.27 0.00 2.45 0.00 -1.38 -3.18 119.26 119.12 3fj4 h ALA 317 Ca 0.20 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3fj4 h ALA 317 Cb 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3fj4 h ALA 317 CO -0.05 0.42 -0.16 0.74 0.00 0.00 0.00 179.25 180.20 3fj4 h PHE 318 N 0.24 0.00 0.00 0.00 0.04 -0.59 -2.41 116.94 114.23 3fj4 h PHE 318 Ca -0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 3fj4 h PHE 318 Cb 1.08 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.23 3fj4 h PHE 318 CO 0.10 0.16 -0.02 -0.07 -0.60 0.00 0.00 178.31 177.88 3fj4 h LEU 319 N 0.00 0.00 0.00 1.54 3.38 -1.13 -2.46 115.31 116.64 3fj4 h LEU 319 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fj4 h LEU 319 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3fj4 h LEU 319 CO 0.02 0.02 -0.48 0.35 0.09 0.00 0.00 178.44 178.43 3fj4 n THR 320 N -3.20 0.26 -2.39 0.22 -2.24 -0.91 -0.53 114.28 105.49 3fj4 n THR 320 Ca -0.02 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 3fj4 n THR 320 Cb 0.17 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.26 3fj4 n THR 320 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3fj4 s LEU 321 N -3.85 4.41 0.26 3.22 1.43 -0.93 -4.75 118.68 118.46 3fj4 s LEU 321 Ca 0.08 2.12 -0.02 0.00 -1.03 0.00 0.00 54.13 55.28 3fj4 s LEU 321 Cb 0.15 -3.59 0.45 0.00 0.03 0.00 0.00 46.19 43.23 3fj4 s LEU 321 CO 0.69 -0.43 1.81 -1.13 0.23 0.00 0.00 176.35 177.52 3fj4 h ASN 322 N 6.14 0.74 -3.35 2.29 -1.24 -1.90 -3.43 115.58 114.83 3fj4 h ASN 322 Ca -0.43 0.05 -0.09 0.00 0.71 0.00 0.00 56.30 56.55 3fj4 h ASN 322 Cb 1.21 -0.09 -0.25 0.00 0.73 0.00 0.00 38.32 39.93 3fj4 h ASN 322 CO 0.79 0.40 -0.20 -0.75 -1.29 0.00 0.00 177.43 176.38 3fj4 s LYS 323 N -6.01 0.49 -0.81 6.67 2.47 -1.26 -5.06 119.74 116.23 3fj4 s LYS 323 Ca -0.12 0.84 0.02 0.00 -1.56 0.00 0.00 55.97 55.14 3fj4 s LYS 323 Cb 0.20 0.08 0.22 0.00 -1.46 0.00 0.00 37.83 36.87 3fj4 s LYS 323 CO 0.79 -0.13 0.76 1.28 0.16 0.00 0.00 175.35 178.21 3fj4 n LEU 324 N 3.92 4.00 -0.25 5.43 4.77 -1.26 -4.66 117.00 128.94 3fj4 n LEU 324 Ca -0.20 -5.23 0.26 0.00 -0.03 0.00 0.00 56.01 50.81 3fj4 n LEU 324 Cb 0.56 -0.94 0.63 0.00 -2.33 0.00 0.00 43.42 41.34 3fj4 n LEU 324 CO 0.07 1.73 1.25 0.28 -1.33 0.00 0.00 177.39 179.39 3fj4 h SER 325 N 5.40 0.20 -0.43 -1.43 0.02 -1.95 -0.78 113.55 114.59 3fj4 h SER 325 Ca 0.17 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3fj4 h SER 325 Cb 0.75 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3fj4 h SER 325 CO 0.86 0.06 0.00 0.79 -1.14 0.00 0.00 176.83 177.40 3fj4 n TRP 326 N -4.40 1.11 -4.59 3.45 7.02 -0.72 -5.01 117.44 114.30 3fj4 n TRP 326 Ca 0.22 -0.70 0.00 0.00 -1.02 0.00 0.00 57.50 56.00 3fj4 n TRP 326 Cb 0.93 -0.25 0.00 0.00 -2.42 0.00 0.00 31.31 29.57 3fj4 n TRP 326 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3fj4 n ASP 327 N 0.32 -0.44 -4.13 -0.99 8.00 -0.30 -4.81 116.55 114.20 3fj4 n ASP 327 Ca 0.21 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.61 3fj4 n ASP 327 Cb 0.82 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.82 3fj4 n ASP 327 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3fj4 s THR 328 N 0.00 0.05 -0.27 -3.53 -4.23 -0.99 -0.40 115.64 106.27 3fj4 s THR 328 Ca 0.00 -1.83 0.10 0.00 -1.18 0.00 0.00 61.69 58.78 3fj4 s THR 328 Cb 0.00 -2.20 0.46 0.00 1.34 0.00 0.00 72.50 72.10 3fj4 s THR 328 CO 0.00 -0.22 1.18 -1.84 -0.54 0.00 0.00 174.62 173.19 3fj4 n GLU 329 N -0.20 3.09 -1.35 3.99 0.28 0.43 0.15 120.64 127.03 3fj4 n GLU 329 Ca -0.03 -3.96 -0.38 0.00 -0.16 0.00 0.00 57.16 52.63 3fj4 n GLU 329 Cb 0.64 -2.08 -0.02 0.00 1.43 0.00 0.00 31.44 31.41 3fj4 n GLU 329 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3fj4 n LEU 330 N -0.70 7.96 -0.57 -1.84 4.77 -1.26 -4.36 117.00 121.00 3fj4 n LEU 330 Ca 0.35 -4.17 0.06 0.00 -0.03 0.00 0.00 56.01 52.22 3fj4 n LEU 330 Cb 0.92 -1.53 0.11 0.00 -2.33 0.00 0.00 43.42 40.58 3fj4 n LEU 330 CO 0.30 1.70 0.54 2.22 -1.33 0.00 0.00 177.39 180.82 3fj4 n PHE 331 N 4.27 0.24 -0.27 -1.77 1.16 -1.26 -4.77 117.46 115.05 3fj4 n PHE 331 Ca 0.70 -0.25 0.04 0.00 -1.87 0.00 0.00 57.45 56.07 3fj4 n PHE 331 Cb 0.26 -0.01 0.13 0.00 -1.61 0.00 0.00 39.48 38.25 3fj4 n PHE 331 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 3fj4 h GLY 332 N 2.23 0.71 2.00 4.97 0.00 -1.76 0.73 103.07 111.95 3fj4 h GLY 332 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 3fj4 h GLY 332 CO 0.00 -0.31 -0.02 -2.55 0.00 0.00 0.00 176.54 173.66 3fj4 h PRO 333 N 0.03 0.00 0.00 4.80 0.11 -1.81 -1.39 132.00 133.74 3fj4 h PRO 333 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 3fj4 h PRO 333 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3fj4 h PRO 333 CO -0.77 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 178.31 3fj4 n LEU 334 N -3.85 0.62 0.14 2.35 4.77 0.24 -2.77 117.00 118.50 3fj4 n LEU 334 Ca -0.03 0.58 0.11 0.00 -0.03 0.00 0.00 56.01 56.64 3fj4 n LEU 334 Cb 0.10 -0.41 0.06 0.00 -2.33 0.00 0.00 43.42 40.84 3fj4 n LEU 334 CO 0.28 -0.23 0.30 0.25 -1.33 0.00 0.00 177.39 176.66 3fj4 h LEU 335 N 0.00 0.00 -9.69 2.23 5.85 -1.19 -3.46 115.31 109.05 3fj4 h LEU 335 Ca 0.00 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.13 3fj4 h LEU 335 Cb 0.60 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3fj4 h LEU 335 CO 0.00 0.06 -0.13 -0.76 -0.34 0.00 0.00 178.44 177.26 3fj4 s LEU 336 N -5.73 4.49 0.26 2.25 1.43 -1.12 -0.86 118.68 119.41 3fj4 s LEU 336 Ca 0.02 1.09 0.22 0.00 -1.03 0.00 0.00 54.13 54.43 3fj4 s LEU 336 Cb 0.08 -2.73 0.09 0.00 0.03 0.00 0.00 46.19 43.65 3fj4 s LEU 336 CO 0.75 0.30 1.20 0.71 0.23 0.00 0.00 176.35 179.53 3fj4 h THR 337 N 3.61 0.05 -3.05 5.49 1.35 -1.63 -3.46 112.91 115.28 3fj4 h THR 337 Ca -0.51 -1.09 -0.14 0.00 -0.55 0.00 0.00 66.41 64.11 3fj4 h THR 337 Cb 1.22 1.69 -0.24 0.00 -1.73 0.00 0.00 68.15 69.09 3fj4 h THR 337 CO 0.62 0.03 -0.36 -1.61 -0.25 0.00 0.00 175.52 173.96 3fj4 s GLU 338 N -3.28 0.41 0.16 4.72 2.02 -1.26 -5.08 118.70 116.39 3fj4 s GLU 338 Ca 0.02 0.26 0.02 0.00 0.02 0.00 0.00 54.97 55.28 3fj4 s GLU 338 Cb 0.08 0.19 -0.01 0.00 0.10 0.00 0.00 34.13 34.50 3fj4 s GLU 338 CO 0.76 -0.07 0.06 -3.47 0.02 0.00 0.00 175.26 172.55 3fj4 n ASP 339 N 2.54 1.10 -1.08 -0.19 -0.08 -1.26 -4.66 116.55 112.92 3fj4 n ASP 339 Ca -0.15 -1.85 0.07 0.00 -1.51 0.00 0.00 54.79 51.36 3fj4 n ASP 339 Cb 0.57 0.39 0.28 0.00 2.34 0.00 0.00 41.12 44.71 3fj4 n ASP 339 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3fj4 n ILE 340 N -0.36 2.39 -4.16 5.18 -5.35 -1.26 -4.87 119.36 110.93 3fj4 n ILE 340 Ca -0.02 -1.85 -0.36 0.00 -0.27 0.00 0.00 62.75 60.25 3fj4 n ILE 340 Cb 0.24 -0.27 -0.08 0.00 -1.74 0.00 0.00 39.64 37.79 3fj4 n ILE 340 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fj4 s LEU 341 N -2.85 3.91 0.24 7.28 1.02 -1.26 -0.09 118.68 126.92 3fj4 s LEU 341 Ca 0.45 0.26 -0.06 0.00 0.02 0.00 0.00 54.13 54.80 3fj4 s LEU 341 Cb 0.36 -1.93 0.31 0.00 0.02 0.00 0.00 46.19 44.95 3fj4 s LEU 341 CO 0.10 0.37 1.87 0.00 0.02 0.00 0.00 176.35 178.71 3fj4 h ALA 342 N 5.22 1.19 -3.35 4.21 0.00 -0.75 -3.40 119.26 122.37 3fj4 h ALA 342 Ca -0.51 -0.02 -0.51 0.00 0.00 0.00 0.00 54.91 53.87 3fj4 h ALA 342 Cb 1.20 -0.27 -0.35 0.00 0.00 0.00 0.00 17.79 18.38 3fj4 h ALA 342 CO 0.57 0.36 -0.81 -1.21 0.00 0.00 0.00 179.25 178.16 3fj4 s GLU 343 N -6.08 1.56 0.78 0.00 0.41 -1.26 -5.03 118.70 109.08 3fj4 s GLU 343 Ca -0.13 -0.33 -0.11 0.00 -0.41 0.00 0.00 54.97 53.99 3fj4 s GLU 343 Cb 0.18 -1.40 0.06 0.00 -1.78 0.00 0.00 34.13 31.19 3fj4 s GLU 343 CO 0.80 -0.07 1.08 -1.25 -0.49 0.00 0.00 175.26 175.33 3fj4 s PRO 344 N 1.00 2.18 0.79 0.39 0.04 -1.26 -4.88 135.00 133.26 3fj4 s PRO 344 Ca -0.08 0.87 -0.14 0.00 0.04 0.00 0.00 61.00 61.68 3fj4 s PRO 344 Cb -0.15 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.55 3fj4 s PRO 344 CO -0.00 -1.61 1.19 -2.30 0.04 0.00 0.00 177.00 174.32 3fj4 n PRO 345 N -3.46 0.27 -3.28 0.56 -0.02 -1.26 -4.95 135.00 122.86 3fj4 n PRO 345 Ca 0.08 0.17 -0.40 0.00 -2.02 0.00 0.00 63.50 61.32 3fj4 n PRO 345 Cb 0.55 -2.43 -0.08 0.00 -0.02 0.00 0.00 33.50 31.51 3fj4 n PRO 345 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fj4 s VAL 346 N -2.05 5.08 -0.06 -1.45 1.01 -1.26 -5.02 120.40 116.65 3fj4 s VAL 346 Ca 0.74 0.61 0.04 0.00 0.00 0.00 0.00 61.98 63.37 3fj4 s VAL 346 Cb -0.30 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 3fj4 s VAL 346 CO 0.50 0.01 -0.18 -0.31 0.00 0.00 0.00 175.10 175.11 3fj4 s TYR 347 N 2.27 2.61 -0.25 5.22 2.02 -1.26 -0.02 117.35 127.93 3fj4 s TYR 347 Ca 0.19 -0.42 -0.28 0.00 -0.37 0.00 0.00 57.07 56.19 3fj4 s TYR 347 Cb -0.16 -1.65 0.16 0.00 -0.40 0.00 0.00 41.96 39.92 3fj4 s TYR 347 CO 0.11 -0.01 1.21 -0.98 -1.57 0.00 0.00 175.55 174.31 3fj4 s ARG 348 N -0.38 0.30 -1.28 -0.62 1.70 -0.50 -5.00 118.95 113.16 3fj4 s ARG 348 Ca 0.03 0.18 -0.12 0.00 -0.47 0.00 0.00 55.73 55.36 3fj4 s ARG 348 Cb -0.12 0.14 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 3fj4 s ARG 348 CO 0.02 -0.07 0.58 -0.25 -1.08 0.00 0.00 175.30 174.50 3fj4 n ASP 349 N 1.19 -2.65 0.00 -2.89 8.00 -0.96 -1.76 116.55 117.47 3fj4 n ASP 349 Ca -0.08 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.37 3fj4 n ASP 349 Cb 0.57 -3.01 0.00 0.00 -0.02 0.00 0.00 41.12 38.66 3fj4 n ASP 349 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3fj4 n PHE 350 N -4.39 0.00 -4.31 1.24 3.72 0.19 -4.97 117.46 108.94 3fj4 n PHE 350 Ca -0.21 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.03 3fj4 n PHE 350 Cb 0.64 -1.40 -0.10 0.00 -0.94 0.00 0.00 39.48 37.68 3fj4 n PHE 350 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3fj4 s HIS 351 N -1.33 1.47 -0.20 1.38 3.76 -0.73 -1.92 115.29 117.72 3fj4 s HIS 351 Ca 0.00 -0.96 -0.06 0.00 -0.15 0.00 0.00 55.06 53.89 3fj4 s HIS 351 Cb 0.00 -0.85 -0.03 0.00 1.11 0.00 0.00 32.58 32.81 3fj4 s HIS 351 CO 0.00 -0.10 0.02 -1.17 -0.85 0.00 0.00 174.74 172.64 3fj4 s LEU 352 N -3.27 3.36 -0.27 0.89 2.96 0.33 -1.42 118.68 121.27 3fj4 s LEU 352 Ca 0.28 -0.16 -0.09 0.00 -0.22 0.00 0.00 54.13 53.93 3fj4 s LEU 352 Cb 0.06 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 3fj4 s LEU 352 CO 0.08 0.07 0.13 -1.00 -1.32 0.00 0.00 176.35 174.30 3fj4 s HIS 353 N 1.00 3.15 -0.22 5.38 3.76 0.97 -1.14 115.29 128.18 3fj4 s HIS 353 Ca 0.02 -0.18 -0.11 0.00 -0.15 0.00 0.00 55.06 54.64 3fj4 s HIS 353 Cb -0.14 -2.31 -0.05 0.00 1.11 0.00 0.00 32.58 31.19 3fj4 s HIS 353 CO 0.02 -0.27 0.18 0.08 -0.85 0.00 0.00 174.74 173.90 3fj4 s VAL 354 N 1.68 5.35 1.02 -0.90 1.01 -0.21 -4.18 120.40 124.18 3fj4 s VAL 354 Ca 0.07 0.25 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 3fj4 s VAL 354 Cb -0.16 -3.52 0.20 0.00 0.00 0.00 0.00 36.38 32.90 3fj4 s VAL 354 CO 0.07 0.36 1.18 -0.94 0.00 0.00 0.00 175.10 175.77 3fj4 s SER 355 N 0.89 2.54 -0.25 3.32 1.04 -1.26 -4.85 113.70 115.12 3fj4 s SER 355 Ca 0.09 0.67 0.13 0.00 0.48 0.00 0.00 55.95 57.32 3fj4 s SER 355 Cb -0.13 -1.00 0.65 0.00 0.10 0.00 0.00 66.02 65.64 3fj4 s SER 355 CO 0.03 -3.13 1.61 0.29 0.98 0.00 0.00 173.24 173.03 3fj4 n LYS 356 N -4.10 3.33 -1.64 4.02 5.02 -1.26 -4.99 118.16 118.54 3fj4 n LYS 356 Ca 0.11 -3.03 -0.33 0.00 -2.02 0.00 0.00 58.31 53.05 3fj4 n LYS 356 Cb 0.59 -2.03 0.06 0.00 -0.02 0.00 0.00 35.03 33.63 3fj4 n LYS 356 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fj4 s ALA 357 N -2.94 2.40 0.65 7.82 0.00 -1.26 -4.43 121.76 123.99 3fj4 s ALA 357 Ca 0.49 0.52 -0.18 0.00 0.00 0.00 0.00 51.96 52.79 3fj4 s ALA 357 Cb 0.40 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 3fj4 s ALA 357 CO 0.10 -1.42 1.28 -2.14 0.00 0.00 0.00 175.76 173.58 3fj4 s PRO 358 N -4.22 2.57 6.16 0.00 0.02 -1.26 -3.52 135.00 134.75 3fj4 s PRO 358 Ca 0.66 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.71 3fj4 s PRO 358 Cb -0.21 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.46 3fj4 s PRO 358 CO 0.44 -1.58 0.00 0.41 -0.33 0.00 0.00 177.00 175.95 3fj4 n GLY 359 N 0.83 3.06 0.26 0.52 0.00 0.13 -1.05 105.19 108.94 3fj4 n GLY 359 Ca 0.15 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.90 3fj4 n GLY 359 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fj4 n LEU 360 N 0.00 0.76 -3.92 0.99 4.77 -1.26 -1.30 117.00 117.04 3fj4 n LEU 360 Ca 0.00 -0.35 -0.30 0.00 -0.03 0.00 0.00 56.01 55.33 3fj4 n LEU 360 Cb 0.00 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 3fj4 n LEU 360 CO 0.00 0.18 0.08 0.61 -1.33 0.00 0.00 177.39 176.92 3fj4 n GLY 361 N 0.83 -0.47 3.19 -0.72 0.00 -0.22 -4.96 105.19 102.85 3fj4 n GLY 361 Ca 0.10 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 3fj4 n GLY 361 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3fj4 s LEU 362 N -7.22 1.80 -0.02 0.99 0.05 -1.26 -4.96 118.68 108.06 3fj4 s LEU 362 Ca 0.59 -1.23 0.02 0.00 0.05 0.00 0.00 54.13 53.56 3fj4 s LEU 362 Cb -0.30 0.19 0.00 0.00 -2.05 0.00 0.00 46.19 44.03 3fj4 s LEU 362 CO 0.84 -0.70 -0.07 -0.94 -0.55 0.00 0.00 176.35 174.93 3fj4 s SER 363 N -3.11 0.92 0.29 1.48 1.04 -1.26 -5.05 113.70 108.01 3fj4 s SER 363 Ca 0.26 -0.14 -0.29 0.00 0.48 0.00 0.00 55.95 56.27 3fj4 s SER 363 Cb 0.07 -0.22 -0.10 0.00 0.10 0.00 0.00 66.02 65.87 3fj4 s SER 363 CO 0.04 0.05 1.30 -0.22 0.98 0.00 0.00 173.24 175.39 3fj4 s LEU 364 N 0.15 4.44 -0.88 2.42 0.20 -1.26 -0.12 118.68 123.63 3fj4 s LEU 364 Ca -0.02 2.59 -0.16 0.00 0.69 0.00 0.00 54.13 57.23 3fj4 s LEU 364 Cb -0.07 -3.64 0.17 0.00 -0.43 0.00 0.00 46.19 42.23 3fj4 s LEU 364 CO -0.00 -0.50 0.95 -0.62 -0.29 0.00 0.00 176.35 175.89 3fj4 s ASP 365 N -0.31 6.69 0.33 3.68 -1.08 0.87 -4.53 116.67 122.32 3fj4 s ASP 365 Ca 0.51 -2.36 0.06 0.00 -0.52 0.00 0.00 52.55 50.23 3fj4 s ASP 365 Cb -0.38 -2.31 0.70 0.00 -1.46 0.00 0.00 42.92 39.47 3fj4 s ASP 365 CO 0.48 -0.83 1.89 -0.33 0.52 0.00 0.00 175.17 176.90 3fj4 h GLU 366 N 8.32 0.80 -0.09 4.34 4.39 -1.93 -0.76 114.58 129.66 3fj4 h GLU 366 Ca 0.13 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3fj4 h GLU 366 Cb 1.03 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 3fj4 h GLU 366 CO 0.93 0.53 0.04 0.93 -1.16 0.00 0.00 179.01 180.28 3fj4 h GLU 367 N 0.82 0.13 -0.13 2.33 3.07 -1.98 -1.32 114.58 117.50 3fj4 h GLU 367 Ca 0.42 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 59.15 3fj4 h GLU 367 Cb 0.51 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 3fj4 h GLU 367 CO -0.19 0.22 -0.41 0.00 -1.40 0.00 0.00 179.01 177.23 3fj4 h ARG 368 N 0.00 0.28 -0.41 2.33 3.08 -1.81 -2.14 114.38 115.72 3fj4 h ARG 368 Ca 0.03 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3fj4 h ARG 368 Cb 0.14 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3fj4 h ARG 368 CO -0.00 0.65 0.18 1.25 -1.07 0.00 0.00 179.97 180.98 3fj4 h LEU 369 N 0.24 0.56 -1.16 3.04 5.85 -0.94 0.27 115.31 123.16 3fj4 h LEU 369 Ca 0.02 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 3fj4 h LEU 369 Cb 0.84 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3fj4 h LEU 369 CO 0.07 0.55 0.13 0.00 -0.34 0.00 0.00 178.44 178.85 3fj4 h ALA 370 N 1.02 1.33 -0.05 1.25 0.00 -1.07 0.28 119.26 122.02 3fj4 h ALA 370 Ca 0.14 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 3fj4 h ALA 370 Cb 0.16 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.77 3fj4 h ALA 370 CO -0.01 0.48 -0.84 0.35 0.00 0.00 0.00 179.25 179.23 3fj4 h PHE 371 N 0.70 0.94 0.00 0.00 3.57 -0.98 -3.36 116.94 117.81 3fj4 h PHE 371 Ca 0.16 -0.48 0.00 0.00 3.53 0.00 0.00 57.97 61.18 3fj4 h PHE 371 Cb 0.24 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.86 3fj4 h PHE 371 CO 0.01 1.30 -1.07 1.19 -2.23 0.00 0.00 178.31 177.52 3fj4 n PHE 372 N -3.98 0.61 -1.33 0.41 3.72 0.05 -4.96 117.46 111.97 3fj4 n PHE 372 Ca -0.10 0.18 -0.33 0.00 -0.05 0.00 0.00 57.45 57.15 3fj4 n PHE 372 Cb 0.78 -0.72 0.10 0.00 -0.94 0.00 0.00 39.48 38.69 3fj4 n PHE 372 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3fj4 s ARG 373 N -3.31 2.09 0.00 -1.08 1.70 0.08 -2.38 118.95 116.04 3fj4 s ARG 373 Ca 0.01 1.53 0.30 0.00 -0.47 0.00 0.00 55.73 57.10 3fj4 s ARG 373 Cb 0.12 -1.85 1.47 0.00 -0.57 0.00 0.00 34.95 34.12 3fj4 s ARG 373 CO 0.80 -1.83 1.98 0.54 -1.08 0.00 0.00 175.30 175.71