#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fj3 s THR 2 N 0.00 5.27 0.00 1.39 2.01 -1.26 -5.01 115.64 118.04 1fj3 s THR 2 Ca 0.00 0.40 0.00 0.00 0.31 0.00 0.00 61.69 62.40 1fj3 s THR 2 Cb 0.00 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.90 1fj3 s THR 2 CO 0.00 0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 1fj3 n GLY 3 N 4.37 1.54 3.75 4.40 0.00 -1.26 -4.79 105.19 113.20 1fj3 n GLY 3 Ca -0.12 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 1fj3 n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fj3 s THR 4 N -2.30 5.18 0.27 2.61 2.01 -0.44 -4.82 115.64 118.15 1fj3 s THR 4 Ca 0.00 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.80 1fj3 s THR 4 Cb 0.00 -3.30 -0.09 0.00 0.01 0.00 0.00 72.50 69.11 1fj3 s THR 4 CO 0.00 0.53 1.24 -0.44 -0.69 0.00 0.00 174.62 175.25 1fj3 s SER 5 N -0.25 6.98 0.33 3.53 0.01 -1.26 -0.08 113.70 122.95 1fj3 s SER 5 Ca 0.10 2.45 -0.09 0.00 1.31 0.00 0.00 55.95 59.73 1fj3 s SER 5 Cb -0.12 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.52 1fj3 s SER 5 CO 0.01 -0.40 0.58 1.07 0.41 0.00 0.00 173.24 174.91 1fj3 n THR 6 N 1.53 0.00 -4.49 1.44 5.66 -0.10 -4.91 114.28 113.41 1fj3 n THR 6 Ca 0.02 -1.10 -0.27 0.00 -3.05 0.00 0.00 64.05 59.65 1fj3 n THR 6 Cb 0.43 0.88 -0.17 0.00 -1.55 0.00 0.00 70.33 69.93 1fj3 n THR 6 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1fj3 s VAL 7 N -2.43 1.31 0.51 1.08 1.01 -1.26 -1.22 120.40 119.39 1fj3 s VAL 7 Ca 0.18 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1fj3 s VAL 7 Cb -0.03 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.15 1fj3 s VAL 7 CO 0.13 0.40 0.17 -0.83 0.00 0.00 0.00 175.10 174.97 1fj3 s GLY 8 N 0.89 2.68 0.01 4.51 0.00 0.68 -4.93 107.32 111.17 1fj3 s GLY 8 Ca -0.10 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.67 1fj3 s GLY 8 CO 0.01 -2.07 -0.10 0.54 0.00 0.00 0.00 173.10 171.48 1fj3 s VAL 9 N -2.80 0.76 0.04 1.40 0.11 -0.98 -0.84 120.40 118.09 1fj3 s VAL 9 Ca 0.22 -0.65 -0.01 0.00 -2.93 0.00 0.00 61.98 58.60 1fj3 s VAL 9 Cb 0.01 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1fj3 s VAL 9 CO 0.13 0.04 0.08 0.61 -3.33 0.00 0.00 175.10 172.62 1fj3 n GLY 10 N 2.37 1.89 3.10 6.54 0.00 -0.49 0.13 105.19 118.72 1fj3 n GLY 10 Ca -0.16 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 1fj3 n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fj3 s ARG 11 N -2.01 1.59 0.78 1.61 3.52 -0.69 -0.83 118.95 122.93 1fj3 s ARG 11 Ca 0.02 -0.53 -0.12 0.00 -0.13 0.00 0.00 55.73 54.96 1fj3 s ARG 11 Cb -0.00 -1.40 0.18 0.00 -1.56 0.00 0.00 34.95 32.17 1fj3 s ARG 11 CO 0.01 0.20 1.06 0.41 -0.81 0.00 0.00 175.30 176.17 1fj3 n GLY 12 N 3.22 -1.27 0.35 8.12 0.00 -0.35 -4.23 105.19 111.03 1fj3 n GLY 12 Ca -0.18 -1.73 0.04 0.00 0.00 0.00 0.00 46.02 44.15 1fj3 n GLY 12 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fj3 h VAL 13 N -1.55 0.99 -0.06 1.61 2.07 -1.90 -0.73 116.25 116.68 1fj3 h VAL 13 Ca -0.34 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1fj3 h VAL 13 Cb 0.97 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1fj3 h VAL 13 CO 0.25 0.19 0.00 0.18 0.02 0.00 0.00 177.57 178.21 1fj3 n LEU 14 N -4.59 0.81 0.00 2.57 4.77 -1.26 -4.91 117.00 114.39 1fj3 n LEU 14 Ca 0.16 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1fj3 n LEU 14 Cb 0.26 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1fj3 n LEU 14 CO 0.29 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1fj3 n GLY 15 N 0.99 0.63 3.79 -0.72 0.00 -0.28 -5.06 105.19 104.55 1fj3 n GLY 15 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1fj3 n GLY 15 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1fj3 s ASP 16 N -2.93 7.26 -0.02 1.61 -4.77 -1.26 -4.77 116.67 111.79 1fj3 s ASP 16 Ca 0.00 1.76 -0.18 0.00 -3.30 0.00 0.00 52.55 50.84 1fj3 s ASP 16 Cb 0.00 -2.55 -0.05 0.00 -1.09 0.00 0.00 42.92 39.22 1fj3 s ASP 16 CO 0.00 -0.08 0.50 -1.58 0.70 0.00 0.00 175.17 174.70 1fj3 s GLN 17 N -2.16 4.18 0.06 2.11 0.74 -1.26 -1.21 119.66 122.11 1fj3 s GLN 17 Ca 0.50 0.56 -0.12 0.00 0.05 0.00 0.00 55.36 56.35 1fj3 s GLN 17 Cb -0.17 -3.31 0.01 0.00 1.10 0.00 0.00 33.01 30.64 1fj3 s GLN 17 CO 0.22 0.46 0.27 -1.59 -0.55 0.00 0.00 175.29 174.10 1fj3 s LYS 18 N -0.40 0.82 0.01 1.67 -2.85 -0.01 -4.97 119.74 114.00 1fj3 s LYS 18 Ca 0.27 -0.65 -0.15 0.00 -1.00 0.00 0.00 55.97 54.44 1fj3 s LYS 18 Cb -0.17 0.35 -0.06 0.00 -2.06 0.00 0.00 37.83 35.89 1fj3 s LYS 18 CO 0.14 -0.26 0.42 -0.80 0.10 0.00 0.00 175.35 174.95 1fj3 s ASN 19 N -2.31 6.83 0.08 0.03 0.01 -1.26 -1.39 114.94 116.93 1fj3 s ASN 19 Ca -0.02 0.99 0.05 0.00 -0.71 0.00 0.00 52.86 53.17 1fj3 s ASN 19 Cb 0.01 -2.26 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 1fj3 s ASN 19 CO -0.06 0.32 -0.14 0.27 -1.51 0.00 0.00 177.10 175.98 1fj3 s ILE 20 N -1.09 1.16 -0.14 0.60 -4.36 -0.02 -4.96 121.20 112.39 1fj3 s ILE 20 Ca 0.24 -1.40 -0.26 0.00 -0.26 0.00 0.00 60.65 58.96 1fj3 s ILE 20 Cb -0.17 -1.19 -0.02 0.00 1.25 0.00 0.00 42.46 42.34 1fj3 s ILE 20 CO 0.14 -0.27 0.87 0.20 0.24 0.00 0.00 174.94 176.12 1fj3 s ASN 21 N -1.91 7.04 0.28 4.36 0.02 -1.26 -0.23 114.94 123.25 1fj3 s ASN 21 Ca 0.01 1.28 0.02 0.00 -1.02 0.00 0.00 52.86 53.15 1fj3 s ASN 21 Cb -0.09 -2.48 -0.05 0.00 0.02 0.00 0.00 41.25 38.65 1fj3 s ASN 21 CO 0.02 -0.39 0.11 0.42 0.02 0.00 0.00 177.10 177.28 1fj3 s THR 22 N 1.99 0.59 -0.02 1.60 -4.23 -0.36 -3.88 115.64 111.33 1fj3 s THR 22 Ca 0.41 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.97 1fj3 s THR 22 Cb -0.17 -2.62 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 1fj3 s THR 22 CO 0.14 0.00 -0.18 -0.89 -0.54 0.00 0.00 174.62 173.16 1fj3 s THR 23 N -3.65 1.42 -0.15 3.99 2.01 -0.48 -0.92 115.64 117.86 1fj3 s THR 23 Ca 0.37 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 1fj3 s THR 23 Cb 0.07 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 1fj3 s THR 23 CO 0.15 0.40 -0.04 -0.47 -0.69 0.00 0.00 174.62 173.97 1fj3 s TYR 24 N -0.32 3.03 -0.46 4.92 5.04 0.89 -0.45 117.35 129.99 1fj3 s TYR 24 Ca 0.05 -0.25 0.04 0.00 -2.44 0.00 0.00 57.07 54.47 1fj3 s TYR 24 Cb -0.08 -1.93 0.23 0.00 0.35 0.00 0.00 41.96 40.52 1fj3 s TYR 24 CO -0.00 0.02 0.90 0.45 -1.34 0.00 0.00 175.55 175.58 1fj3 n SER 25 N 3.37 -2.73 0.00 4.32 2.88 -1.26 -1.33 113.62 118.86 1fj3 n SER 25 Ca -0.17 -2.74 0.00 0.00 -1.33 0.00 0.00 58.87 54.63 1fj3 n SER 25 Cb 0.53 1.55 0.00 0.00 -0.75 0.00 0.00 64.21 65.54 1fj3 n SER 25 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1fj3 n THR 26 N 2.16 0.00 -3.65 2.46 -1.04 -1.26 -4.77 114.28 108.17 1fj3 n THR 26 Ca 0.11 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.91 1fj3 n THR 26 Cb 0.62 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.10 1fj3 n THR 26 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1fj3 s TYR 27 N 0.00 2.78 -0.25 -1.42 2.02 -1.26 -5.01 117.35 114.21 1fj3 s TYR 27 Ca 0.00 -0.42 -0.11 0.00 -0.37 0.00 0.00 57.07 56.18 1fj3 s TYR 27 Cb 0.00 -2.03 -0.05 0.00 -0.40 0.00 0.00 41.96 39.48 1fj3 s TYR 27 CO 0.00 -0.01 0.16 0.71 -1.57 0.00 0.00 175.55 174.85 1fj3 s TYR 28 N -2.41 3.28 0.11 2.71 2.02 0.19 -4.41 117.35 118.84 1fj3 s TYR 28 Ca 0.45 0.17 0.05 0.00 -0.37 0.00 0.00 57.07 57.38 1fj3 s TYR 28 Cb -0.04 -2.30 -0.04 0.00 -0.40 0.00 0.00 41.96 39.18 1fj3 s TYR 28 CO 0.27 -0.01 0.01 0.71 -1.57 0.00 0.00 175.55 174.96 1fj3 s TYR 29 N 1.28 2.99 -1.19 2.71 2.02 0.40 0.16 117.35 125.71 1fj3 s TYR 29 Ca 0.07 -0.04 -0.20 0.00 -0.37 0.00 0.00 57.07 56.54 1fj3 s TYR 29 Cb -0.14 -1.51 0.06 0.00 -0.40 0.00 0.00 41.96 39.97 1fj3 s TYR 29 CO 0.06 0.49 1.62 -0.51 -1.57 0.00 0.00 175.55 175.65 1fj3 s LEU 30 N -2.47 3.74 -0.15 -1.29 1.43 -0.41 -1.38 118.68 118.16 1fj3 s LEU 30 Ca 0.27 -2.09 -0.04 0.00 -1.03 0.00 0.00 54.13 51.23 1fj3 s LEU 30 Cb -0.11 -2.57 0.07 0.00 0.03 0.00 0.00 46.19 43.60 1fj3 s LEU 30 CO 0.19 -1.29 0.15 -1.58 0.23 0.00 0.00 176.35 174.06 1fj3 s GLN 31 N 4.45 0.09 -0.45 1.70 0.74 -1.26 -1.63 119.66 123.31 1fj3 s GLN 31 Ca 0.51 0.23 -0.14 0.00 0.05 0.00 0.00 55.36 56.00 1fj3 s GLN 31 Cb 0.02 -1.10 0.06 0.00 1.10 0.00 0.00 33.01 33.10 1fj3 s GLN 31 CO 0.01 -0.54 0.35 0.34 -0.55 0.00 0.00 175.29 174.90 1fj3 s ASP 32 N 2.25 6.05 0.00 6.67 -1.08 0.23 -3.02 116.67 127.76 1fj3 s ASP 32 Ca 0.04 -1.26 0.13 0.00 -0.52 0.00 0.00 52.55 50.94 1fj3 s ASP 32 Cb -0.15 -2.14 0.46 0.00 -1.46 0.00 0.00 42.92 39.63 1fj3 s ASP 32 CO -0.09 -0.58 1.34 0.59 0.52 0.00 0.00 175.17 176.95 1fj3 n ASN 33 N 5.14 1.32 -0.07 -0.34 5.03 -1.26 -1.81 115.26 123.27 1fj3 n ASN 33 Ca -0.12 -1.86 0.11 0.00 0.87 0.00 0.00 54.58 53.58 1fj3 n ASN 33 Cb 0.44 -0.14 0.12 0.00 -1.02 0.00 0.00 39.78 39.18 1fj3 n ASN 33 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1fj3 n THR 34 N 0.17 0.00 -4.05 3.41 -2.24 -1.26 -4.76 114.28 105.55 1fj3 n THR 34 Ca 0.11 -0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.54 1fj3 n THR 34 Cb 0.23 0.61 -0.15 0.00 -2.10 0.00 0.00 70.33 68.91 1fj3 n THR 34 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1fj3 s ARG 35 N -2.90 2.21 5.05 -0.78 0.52 -1.26 -5.07 118.95 116.72 1fj3 s ARG 35 Ca 0.12 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.14 1fj3 s ARG 35 Cb 0.17 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.88 1fj3 s ARG 35 CO 0.73 -0.52 0.00 0.41 0.02 0.00 0.00 175.30 175.94 1fj3 n GLY 36 N 4.51 2.74 0.16 -3.53 0.00 -1.26 -1.29 105.19 106.52 1fj3 n GLY 36 Ca -0.15 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.58 1fj3 n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fj3 n ASP 37 N 0.65 0.46 0.00 1.61 8.00 -0.86 -4.97 116.55 121.43 1fj3 n ASP 37 Ca 0.00 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.66 1fj3 n ASP 37 Cb 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1fj3 n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fj3 n GLY 38 N 0.71 3.17 3.12 0.44 0.00 -0.41 -4.68 105.19 107.54 1fj3 n GLY 38 Ca 0.07 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 1fj3 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fj3 s ILE 39 N -2.75 1.80 -0.09 -0.61 1.01 -0.75 -1.62 121.20 118.20 1fj3 s ILE 39 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1fj3 s ILE 39 Cb 0.00 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.86 1fj3 s ILE 39 CO 0.00 0.50 -0.18 -0.36 0.00 0.00 0.00 174.94 174.90 1fj3 s PHE 40 N 0.88 2.05 -0.11 3.97 0.40 -0.23 -0.60 117.98 124.34 1fj3 s PHE 40 Ca -0.07 -0.83 0.03 0.00 -0.60 0.00 0.00 56.93 55.46 1fj3 s PHE 40 Cb -0.15 -1.42 -0.00 0.00 0.51 0.00 0.00 43.02 41.96 1fj3 s PHE 40 CO -0.01 -0.37 -0.23 0.99 0.70 0.00 0.00 175.22 176.30 1fj3 s THR 41 N 0.54 2.16 0.18 0.64 2.01 -0.64 -1.30 115.64 119.22 1fj3 s THR 41 Ca -0.16 -0.98 0.09 0.00 0.31 0.00 0.00 61.69 60.96 1fj3 s THR 41 Cb -0.17 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1fj3 s THR 41 CO 0.06 0.55 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.10 1fj3 s TYR 42 N 0.41 2.55 -0.32 4.92 1.51 0.74 -0.79 117.35 126.37 1fj3 s TYR 42 Ca -0.17 -0.26 -0.12 0.00 -1.01 0.00 0.00 57.07 55.52 1fj3 s TYR 42 Cb -0.17 -1.25 -0.02 0.00 -0.11 0.00 0.00 41.96 40.40 1fj3 s TYR 42 CO 0.07 0.51 0.23 0.34 -1.11 0.00 0.00 175.55 175.59 1fj3 s ASP 43 N -2.78 6.03 0.00 2.29 2.15 0.09 -0.90 116.67 123.55 1fj3 s ASP 43 Ca 0.24 -0.33 0.27 0.00 0.43 0.00 0.00 52.55 53.16 1fj3 s ASP 43 Cb -0.09 -2.13 0.90 0.00 -0.30 0.00 0.00 42.92 41.30 1fj3 s ASP 43 CO 0.14 -0.19 1.65 0.00 -0.17 0.00 0.00 175.17 176.60 1fj3 n ALA 44 N 5.09 2.65 -3.88 3.66 0.00 -0.17 -1.94 120.51 125.93 1fj3 n ALA 44 Ca -0.13 -0.47 -0.29 0.00 0.00 0.00 0.00 53.44 52.55 1fj3 n ALA 44 Cb 0.50 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.87 1fj3 n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1fj3 n LYS 45 N 0.18 -5.70 -1.15 0.00 5.02 -1.23 -1.18 118.16 114.10 1fj3 n LYS 45 Ca 0.17 0.62 -0.05 0.00 -2.02 0.00 0.00 58.31 57.03 1fj3 n LYS 45 Cb 0.38 -5.51 -0.02 0.00 -0.02 0.00 0.00 35.03 29.86 1fj3 n LYS 45 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1fj3 n TYR 46 N -4.70 0.00 -3.52 2.13 4.01 0.63 -4.96 117.16 110.76 1fj3 n TYR 46 Ca 0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.54 1fj3 n TYR 46 Cb 0.53 -1.70 -0.00 0.00 -0.31 0.00 0.00 39.34 37.87 1fj3 n TYR 46 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1fj3 s ARG 47 N -1.98 2.42 0.00 -0.72 0.52 -0.33 -3.40 118.95 115.46 1fj3 s ARG 47 Ca 0.00 -1.69 0.15 0.00 -0.52 0.00 0.00 55.73 53.68 1fj3 s ARG 47 Cb 0.00 -2.37 0.30 0.00 0.52 0.00 0.00 34.95 33.39 1fj3 s ARG 47 CO 0.00 -0.47 1.20 0.25 0.02 0.00 0.00 175.30 176.30 1fj3 n THR 48 N -1.78 0.56 -2.73 0.02 -2.24 -1.26 -0.98 114.28 105.86 1fj3 n THR 48 Ca 0.05 -0.78 -0.41 0.00 -2.27 0.00 0.00 64.05 60.64 1fj3 n THR 48 Cb 0.62 0.87 -0.05 0.00 -2.10 0.00 0.00 70.33 69.68 1fj3 n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1fj3 s THR 49 N -1.14 4.45 0.11 4.28 -4.23 -1.26 -5.02 115.64 112.82 1fj3 s THR 49 Ca 0.26 2.06 0.10 0.00 -1.18 0.00 0.00 61.69 62.94 1fj3 s THR 49 Cb 0.15 -4.32 -0.04 0.00 1.34 0.00 0.00 72.50 69.64 1fj3 s THR 49 CO 0.21 0.33 -0.26 -0.76 -0.54 0.00 0.00 174.62 173.60 1fj3 s LEU 50 N -0.12 2.29 0.02 4.79 1.43 -1.26 -3.91 118.68 121.92 1fj3 s LEU 50 Ca 0.46 -0.71 0.25 0.00 -1.03 0.00 0.00 54.13 53.10 1fj3 s LEU 50 Cb -0.24 -1.19 0.48 0.00 0.03 0.00 0.00 46.19 45.27 1fj3 s LEU 50 CO 0.30 0.18 1.40 -0.81 0.23 0.00 0.00 176.35 177.65 1fj3 n PRO 51 N 1.09 0.05 0.00 1.29 -0.04 -1.26 -5.12 135.00 131.01 1fj3 n PRO 51 Ca -0.18 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1fj3 n PRO 51 Cb 0.53 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1fj3 n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fj3 n GLY 52 N 1.47 -0.20 3.58 0.55 0.00 -1.25 -4.25 105.19 105.08 1fj3 n GLY 52 Ca 0.05 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 1fj3 n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fj3 s SER 53 N -4.00 4.72 0.36 1.61 0.01 -0.82 -4.86 113.70 110.72 1fj3 s SER 53 Ca 0.00 -0.02 -0.28 0.00 1.31 0.00 0.00 55.95 56.95 1fj3 s SER 53 Cb 0.00 -1.29 -0.11 0.00 0.21 0.00 0.00 66.02 64.83 1fj3 s SER 53 CO 0.00 0.34 1.46 -0.22 0.41 0.00 0.00 173.24 175.23 1fj3 s LEU 54 N -0.65 4.34 -0.06 2.44 2.96 -1.26 -0.73 118.68 125.72 1fj3 s LEU 54 Ca 0.10 2.97 -0.30 0.00 -0.22 0.00 0.00 54.13 56.68 1fj3 s LEU 54 Cb -0.12 -3.66 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1fj3 s LEU 54 CO 0.02 -0.81 1.40 0.86 -1.32 0.00 0.00 176.35 176.50 1fj3 s TRP 55 N -1.00 2.68 -0.05 5.38 -0.11 0.03 -4.79 118.94 121.08 1fj3 s TRP 55 Ca 0.53 0.76 0.05 0.00 1.22 0.00 0.00 56.10 58.65 1fj3 s TRP 55 Cb -0.45 -3.66 -0.02 0.00 -1.50 0.00 0.00 33.47 27.84 1fj3 s TRP 55 CO 0.59 -2.48 -0.19 0.00 -4.62 0.00 0.00 176.95 170.26 1fj3 s ALA 56 N 3.06 2.47 0.01 5.86 0.00 -1.26 -1.29 121.76 130.62 1fj3 s ALA 56 Ca 0.63 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1fj3 s ALA 56 Cb -0.29 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 1fj3 s ALA 56 CO 0.23 0.51 -0.04 0.34 0.00 0.00 0.00 175.76 176.80 1fj3 s ASP 57 N -0.54 0.45 0.17 0.00 2.15 0.12 -4.96 116.67 114.06 1fj3 s ASP 57 Ca 0.07 -0.24 0.06 0.00 0.43 0.00 0.00 52.55 52.88 1fj3 s ASP 57 Cb -0.11 -0.00 -0.01 0.00 -0.30 0.00 0.00 42.92 42.50 1fj3 s ASP 57 CO 0.01 -0.07 1.39 0.00 -0.17 0.00 0.00 175.17 176.33 1fj3 h ALA 58 N 5.50 0.55 0.00 3.66 0.00 -1.95 0.55 119.26 127.57 1fj3 h ALA 58 Ca -0.29 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1fj3 h ALA 58 Cb 1.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1fj3 h ALA 58 CO 0.47 1.02 -0.09 -0.40 0.00 0.00 0.00 179.25 180.25 1fj3 n ASP 59 N -3.56 1.32 -1.49 0.00 5.68 -1.26 -4.70 116.55 112.54 1fj3 n ASP 59 Ca -0.02 -2.10 -0.16 0.00 -0.50 0.00 0.00 54.79 52.02 1fj3 n ASP 59 Cb 0.82 -0.16 -0.04 0.00 -1.14 0.00 0.00 41.12 40.61 1fj3 n ASP 59 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1fj3 n ASN 60 N -0.57 -4.82 -4.08 -1.12 5.15 -1.26 -5.00 115.26 103.56 1fj3 n ASN 60 Ca 0.04 0.20 -0.31 0.00 -0.60 0.00 0.00 54.58 53.92 1fj3 n ASN 60 Cb 0.49 -3.82 -0.16 0.00 -0.53 0.00 0.00 39.78 35.76 1fj3 n ASN 60 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1fj3 s GLN 61 N -4.02 2.55 -0.65 1.20 -0.21 -1.26 -2.33 119.66 114.94 1fj3 s GLN 61 Ca 0.00 -0.67 0.06 0.00 0.02 0.00 0.00 55.36 54.77 1fj3 s GLN 61 Cb 0.00 -2.20 0.24 0.00 1.00 0.00 0.00 33.01 32.05 1fj3 s GLN 61 CO 0.00 -0.13 0.71 1.19 -2.12 0.00 0.00 175.29 174.93 1fj3 n PHE 62 N 4.43 3.59 0.00 0.91 3.01 0.34 -4.80 117.46 124.94 1fj3 n PHE 62 Ca -0.19 -4.18 0.07 0.00 1.01 0.00 0.00 57.45 54.15 1fj3 n PHE 62 Cb 0.51 -0.57 0.15 0.00 -0.01 0.00 0.00 39.48 39.55 1fj3 n PHE 62 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1fj3 n PHE 63 N 1.02 0.40 -2.68 1.38 3.72 -1.26 -1.70 117.46 118.34 1fj3 n PHE 63 Ca 0.28 -0.36 -0.33 0.00 -0.05 0.00 0.00 57.45 56.99 1fj3 n PHE 63 Cb 0.40 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.87 1fj3 n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fj3 s ALA 64 N -1.03 2.96 0.36 4.37 0.00 -1.26 -4.93 121.76 122.23 1fj3 s ALA 64 Ca 0.24 0.50 0.19 0.00 0.00 0.00 0.00 51.96 52.89 1fj3 s ALA 64 Cb 0.13 -3.20 0.99 0.00 0.00 0.00 0.00 23.12 21.05 1fj3 s ALA 64 CO 0.18 -0.09 1.91 0.66 0.00 0.00 0.00 175.76 178.42 1fj3 h SER 65 N 1.72 0.00 0.39 0.00 4.64 -1.97 -0.41 113.55 117.93 1fj3 h SER 65 Ca -0.49 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.78 1fj3 h SER 65 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1fj3 h SER 65 CO 0.60 0.26 -0.21 0.22 -0.87 0.00 0.00 176.83 176.83 1fj3 h TYR 66 N 0.00 0.00 0.00 4.77 3.20 -1.99 -2.68 116.97 120.27 1fj3 h TYR 66 Ca -0.00 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 1fj3 h TYR 66 Cb 0.55 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1fj3 h TYR 66 CO 0.00 0.21 -0.57 -0.44 -1.64 0.00 0.00 178.16 175.73 1fj3 h ASP 67 N 0.00 0.00 -0.50 -2.11 3.32 -1.41 -3.40 116.42 112.32 1fj3 h ASP 67 Ca -0.00 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.15 1fj3 h ASP 67 Cb 0.47 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.92 1fj3 h ASP 67 CO 0.03 0.57 -0.14 0.00 -1.72 0.00 0.00 179.24 177.98 1fj3 h ALA 68 N 1.43 0.31 -0.05 3.45 0.00 -1.38 -0.87 119.26 122.16 1fj3 h ALA 68 Ca -0.01 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1fj3 h ALA 68 Cb 1.17 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1fj3 h ALA 68 CO 0.07 -0.45 -0.24 -1.35 0.00 0.00 0.00 179.25 177.28 1fj3 h PRO 69 N -0.01 0.08 -0.14 0.00 0.11 -1.80 -2.66 132.00 127.57 1fj3 h PRO 69 Ca 0.24 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.26 1fj3 h PRO 69 Cb 0.38 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 1fj3 h PRO 69 CO -0.52 0.32 -0.19 0.00 -0.21 0.00 0.00 178.00 177.40 1fj3 h ALA 70 N 1.69 0.22 -0.28 -0.75 0.00 -1.45 -1.05 119.26 117.63 1fj3 h ALA 70 Ca 0.01 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.63 1fj3 h ALA 70 Cb 0.47 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1fj3 h ALA 70 CO 0.03 0.14 -0.36 0.28 0.00 0.00 0.00 179.25 179.34 1fj3 h VAL 71 N -0.00 0.21 -0.15 0.00 2.07 -1.02 -0.61 116.25 116.74 1fj3 h VAL 71 Ca 0.02 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 1fj3 h VAL 71 Cb 0.74 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1fj3 h VAL 71 CO 0.04 0.00 -0.44 0.44 0.02 0.00 0.00 177.57 177.63 1fj3 h ASP 72 N -0.35 0.38 -0.38 0.57 3.32 -1.50 -0.16 116.42 118.30 1fj3 h ASP 72 Ca 0.13 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1fj3 h ASP 72 Cb 0.57 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1fj3 h ASP 72 CO -0.47 0.77 0.18 0.00 -1.72 0.00 0.00 179.24 178.00 1fj3 h ALA 73 N 1.25 0.50 -0.30 3.45 0.00 -0.98 0.11 119.26 123.29 1fj3 h ALA 73 Ca 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1fj3 h ALA 73 Cb 0.89 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1fj3 h ALA 73 CO 0.07 0.07 0.01 1.25 0.00 0.00 0.00 179.25 180.65 1fj3 h HIS 74 N 0.48 0.57 -0.19 0.00 -0.00 -0.99 -2.36 115.15 112.65 1fj3 h HIS 74 Ca 0.13 -0.10 -0.08 0.00 -0.00 0.00 0.00 60.37 60.33 1fj3 h HIS 74 Cb 0.14 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 27.40 1fj3 h HIS 74 CO -0.01 0.65 -0.18 -0.92 -0.00 0.00 0.00 177.93 177.47 1fj3 h TYR 75 N 0.32 0.55 0.00 5.26 5.03 -0.84 -2.98 116.97 124.31 1fj3 h TYR 75 Ca 0.09 -0.16 -0.03 0.00 2.58 0.00 0.00 58.73 61.20 1fj3 h TYR 75 Cb 0.42 -0.12 -0.00 0.00 1.55 0.00 0.00 36.73 38.58 1fj3 h TYR 75 CO 0.03 0.82 -0.16 1.88 -1.32 0.00 0.00 178.16 179.41 1fj3 h TYR 76 N 0.13 0.00 -0.46 -3.82 0.05 -0.85 -1.66 116.97 110.37 1fj3 h TYR 76 Ca 0.03 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.73 1fj3 h TYR 76 Cb 0.72 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 1fj3 h TYR 76 CO 0.08 0.16 -0.06 0.00 -1.05 0.00 0.00 178.16 177.29 1fj3 h ALA 77 N 1.84 1.04 -0.19 3.88 0.00 -1.41 -1.34 119.26 123.09 1fj3 h ALA 77 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1fj3 h ALA 77 Cb 0.92 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1fj3 h ALA 77 CO 0.02 0.59 0.01 0.78 0.00 0.00 0.00 179.25 180.65 1fj3 h GLY 78 N 0.97 0.36 1.02 0.00 0.00 -1.18 -0.14 103.07 104.11 1fj3 h GLY 78 Ca 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1fj3 h GLY 78 CO 0.03 0.24 0.52 -2.08 0.00 0.00 0.00 176.54 175.25 1fj3 h VAL 79 N 0.10 1.25 -0.49 4.60 2.07 -1.12 0.09 116.25 122.75 1fj3 h VAL 79 Ca 0.06 -0.55 -0.13 0.00 0.82 0.00 0.00 66.70 66.90 1fj3 h VAL 79 Cb 0.37 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1fj3 h VAL 79 CO 0.01 0.26 -0.20 0.74 0.02 0.00 0.00 177.57 178.40 1fj3 h THR 80 N 1.21 1.27 -0.61 2.57 2.02 -1.08 -0.17 112.91 118.11 1fj3 h THR 80 Ca 0.32 -1.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 1fj3 h THR 80 Cb -0.04 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1fj3 h THR 80 CO -0.06 0.47 0.34 0.22 0.37 0.00 0.00 175.52 176.86 1fj3 h TYR 81 N 0.87 0.84 -0.72 3.16 5.03 -0.45 -2.38 116.97 123.31 1fj3 h TYR 81 Ca 0.12 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.35 1fj3 h TYR 81 Cb 0.78 -0.27 -0.03 0.00 1.55 0.00 0.00 36.73 38.76 1fj3 h TYR 81 CO 0.05 0.60 0.23 -0.44 -1.32 0.00 0.00 178.16 177.29 1fj3 h ASP 82 N 0.83 1.04 0.45 -2.11 3.32 -0.44 -1.72 116.42 117.79 1fj3 h ASP 82 Ca 0.22 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1fj3 h ASP 82 Cb 0.04 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1fj3 h ASP 82 CO -0.04 0.97 -0.29 0.22 -1.72 0.00 0.00 179.24 178.38 1fj3 h TYR 83 N 1.08 -0.78 -0.49 4.55 3.20 -0.70 0.19 116.97 124.02 1fj3 h TYR 83 Ca 0.24 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 1fj3 h TYR 83 Cb 0.29 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1fj3 h TYR 83 CO 0.02 -0.45 0.28 1.88 -1.64 0.00 0.00 178.16 178.26 1fj3 h TYR 84 N -0.72 0.64 0.15 -3.82 0.05 -1.34 0.96 116.97 112.88 1fj3 h TYR 84 Ca -0.05 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1fj3 h TYR 84 Cb 0.60 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.13 1fj3 h TYR 84 CO -0.11 0.43 -0.07 -0.22 -1.05 0.00 0.00 178.16 177.14 1fj3 h LYS 85 N 0.67 -0.19 -0.11 4.88 3.64 -1.11 0.05 116.57 124.41 1fj3 h LYS 85 Ca 0.18 0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.39 1fj3 h LYS 85 Cb -0.01 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1fj3 h LYS 85 CO -0.03 0.26 -0.67 -0.91 -2.27 0.00 0.00 179.45 175.82 1fj3 h ASN 86 N -0.82 0.52 0.12 4.20 2.35 -0.51 -2.32 115.58 119.12 1fj3 h ASN 86 Ca -0.02 -0.32 -0.34 0.00 -0.55 0.00 0.00 56.30 55.08 1fj3 h ASN 86 Cb 0.54 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1fj3 h ASN 86 CO 0.03 1.04 -1.79 0.58 -1.65 0.00 0.00 177.43 175.65 1fj3 h VAL 87 N 0.32 0.76 -0.09 2.81 2.07 -0.96 -3.41 116.25 117.75 1fj3 h VAL 87 Ca -0.02 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.15 1fj3 h VAL 87 Cb 1.23 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 1fj3 h VAL 87 CO 0.12 0.80 0.00 1.41 0.02 0.00 0.00 177.57 179.91 1fj3 n HIS 88 N -3.68 0.11 -3.81 1.57 8.25 -0.92 -5.01 115.22 111.73 1fj3 n HIS 88 Ca -0.30 -0.21 -0.27 0.00 -0.26 0.00 0.00 57.72 56.68 1fj3 n HIS 88 Cb 0.99 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 32.12 1fj3 n HIS 88 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1fj3 n ASN 89 N 0.26 -4.49 -4.26 0.41 4.05 -0.68 -4.95 115.26 105.60 1fj3 n ASN 89 Ca 0.05 -0.73 -0.32 0.00 0.45 0.00 0.00 54.58 54.02 1fj3 n ASN 89 Cb 0.24 -4.17 -0.16 0.00 1.23 0.00 0.00 39.78 36.92 1fj3 n ASN 89 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 1fj3 s ARG 90 N -6.43 3.15 -0.57 1.20 3.52 -0.08 -4.96 118.95 114.78 1fj3 s ARG 90 Ca 0.53 -0.82 -0.19 0.00 -0.13 0.00 0.00 55.73 55.12 1fj3 s ARG 90 Cb -0.26 -2.43 0.09 0.00 -1.56 0.00 0.00 34.95 30.80 1fj3 s ARG 90 CO 0.81 0.15 0.68 -0.51 -0.81 0.00 0.00 175.30 175.62 1fj3 s LEU 91 N 0.43 5.27 0.00 -0.88 1.43 -1.26 -2.78 118.68 120.89 1fj3 s LEU 91 Ca -0.15 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.66 1fj3 s LEU 91 Cb -0.17 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1fj3 s LEU 91 CO 0.06 -1.06 0.00 -0.24 0.23 0.00 0.00 176.35 175.35 1fj3 n SER 92 N 6.30 -4.08 0.08 2.29 2.88 -1.26 -0.68 113.62 119.15 1fj3 n SER 92 Ca -0.09 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.41 1fj3 n SER 92 Cb 0.43 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.82 1fj3 n SER 92 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 1fj3 h TYR 93 N 0.00 0.00 -0.01 0.66 -0.00 -1.93 -3.00 116.97 112.70 1fj3 h TYR 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1fj3 h TYR 93 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 1fj3 h TYR 93 CO 0.00 0.84 -0.13 -0.40 -0.00 0.00 0.00 178.16 178.47 1fj3 n ASP 94 N -3.30 1.20 0.00 0.10 5.75 -1.26 -4.48 116.55 114.55 1fj3 n ASP 94 Ca 0.00 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.63 1fj3 n ASP 94 Cb 0.88 0.06 0.00 0.00 -1.03 0.00 0.00 41.12 41.03 1fj3 n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fj3 n GLY 95 N 1.26 0.70 1.44 6.12 0.00 -0.96 -4.85 105.19 108.90 1fj3 n GLY 95 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1fj3 n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1fj3 n ASN 96 N 0.00 1.52 -2.22 1.61 5.15 -0.79 -4.42 115.26 116.11 1fj3 n ASN 96 Ca 0.00 -2.65 -0.18 0.00 -0.60 0.00 0.00 54.58 51.14 1fj3 n ASN 96 Cb 0.00 -0.39 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 1fj3 n ASN 96 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1fj3 n ASN 97 N -0.17 -5.31 -4.53 1.20 5.03 0.14 -4.92 115.26 106.70 1fj3 n ASN 97 Ca 0.12 -0.09 -0.40 0.00 0.87 0.00 0.00 54.58 55.08 1fj3 n ASN 97 Cb 0.97 -4.31 0.02 0.00 -1.02 0.00 0.00 39.78 35.44 1fj3 n ASN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1fj3 n ALA 98 N -2.31 -0.61 -1.77 5.41 0.00 -1.26 -2.02 120.51 117.95 1fj3 n ALA 98 Ca -0.18 0.12 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 1fj3 n ALA 98 Cb 0.64 -1.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 1fj3 n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fj3 s ALA 99 N -1.47 3.42 -0.24 0.00 0.00 -1.26 -4.62 121.76 117.59 1fj3 s ALA 99 Ca 0.66 1.27 -0.07 0.00 0.00 0.00 0.00 51.96 53.82 1fj3 s ALA 99 Cb -0.53 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.08 1fj3 s ALA 99 CO 0.55 -0.73 0.06 0.42 0.00 0.00 0.00 175.76 176.07 1fj3 s ILE 100 N -1.18 4.28 0.01 0.00 1.01 -0.64 -5.01 121.20 119.68 1fj3 s ILE 100 Ca 0.52 -0.18 0.06 0.00 0.00 0.00 0.00 60.65 61.04 1fj3 s ILE 100 Cb -0.40 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 1fj3 s ILE 100 CO 0.52 0.35 -0.16 -0.13 0.00 0.00 0.00 174.94 175.52 1fj3 s ARG 101 N 1.53 2.24 0.01 2.79 0.52 -1.26 -1.07 118.95 123.72 1fj3 s ARG 101 Ca 0.06 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.40 1fj3 s ARG 101 Cb -0.15 -2.27 -0.01 0.00 0.52 0.00 0.00 34.95 33.04 1fj3 s ARG 101 CO 0.03 0.57 -0.04 -1.12 0.02 0.00 0.00 175.30 174.76 1fj3 s SER 102 N -1.21 0.40 -0.04 0.23 0.01 -0.42 -1.12 113.70 111.55 1fj3 s SER 102 Ca 0.14 -0.27 0.06 0.00 1.31 0.00 0.00 55.95 57.18 1fj3 s SER 102 Cb -0.11 0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.12 1fj3 s SER 102 CO 0.04 -0.11 -0.22 -0.44 0.41 0.00 0.00 173.24 172.93 1fj3 s SER 103 N -0.76 3.40 0.43 2.44 0.01 -0.40 -0.19 113.70 118.64 1fj3 s SER 103 Ca -0.06 -0.39 0.05 0.00 1.31 0.00 0.00 55.95 56.87 1fj3 s SER 103 Cb -0.05 -0.64 -0.06 0.00 0.21 0.00 0.00 66.02 65.48 1fj3 s SER 103 CO -0.00 0.31 0.02 0.68 0.41 0.00 0.00 173.24 174.66 1fj3 s VAL 104 N -0.53 1.61 -1.26 3.43 -7.23 -0.08 -1.69 120.40 114.65 1fj3 s VAL 104 Ca 0.07 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.17 1fj3 s VAL 104 Cb -0.11 -2.71 0.01 0.00 0.56 0.00 0.00 36.38 34.12 1fj3 s VAL 104 CO 0.01 0.00 1.10 1.41 -0.31 0.00 0.00 175.10 177.31 1fj3 n HIS 105 N -1.02 -2.66 -2.75 2.82 8.25 -1.18 -1.00 115.22 117.70 1fj3 n HIS 105 Ca -0.09 0.95 -0.42 0.00 -0.26 0.00 0.00 57.72 57.90 1fj3 n HIS 105 Cb 0.67 -4.80 -0.03 0.00 1.12 0.00 0.00 29.99 26.94 1fj3 n HIS 105 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1fj3 s TYR 106 N -3.30 3.52 0.00 4.41 5.04 -1.01 -0.27 117.35 125.74 1fj3 s TYR 106 Ca 0.50 1.53 0.00 0.00 -2.44 0.00 0.00 57.07 56.67 1fj3 s TYR 106 Cb -0.22 -3.13 0.00 0.00 0.35 0.00 0.00 41.96 38.96 1fj3 s TYR 106 CO 0.68 -0.18 0.00 0.45 -1.34 0.00 0.00 175.55 175.17 1fj3 n SER 107 N 4.82 -2.77 -4.04 4.32 2.88 -0.16 -4.47 113.62 114.20 1fj3 n SER 107 Ca 0.07 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.35 1fj3 n SER 107 Cb 0.49 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.79 1fj3 n SER 107 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1fj3 s GLN 108 N 0.00 1.86 -1.55 -1.46 -0.21 -1.26 -4.23 119.66 112.81 1fj3 s GLN 108 Ca 0.00 -0.46 -0.05 0.00 0.02 0.00 0.00 55.36 54.87 1fj3 s GLN 108 Cb 0.00 -1.53 0.01 0.00 1.00 0.00 0.00 33.01 32.49 1fj3 s GLN 108 CO 0.00 0.03 0.52 0.41 -2.12 0.00 0.00 175.29 174.13 1fj3 n GLY 109 N 3.85 -0.52 3.56 3.09 0.00 -1.26 -4.93 105.19 108.99 1fj3 n GLY 109 Ca -0.22 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1fj3 n GLY 109 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1fj3 s TYR 110 N -3.13 3.15 -0.62 1.61 5.04 -1.25 -4.10 117.35 118.05 1fj3 s TYR 110 Ca 0.28 0.25 -0.06 0.00 -2.44 0.00 0.00 57.07 55.09 1fj3 s TYR 110 Cb -0.13 -3.10 -0.12 0.00 0.35 0.00 0.00 41.96 38.97 1fj3 s TYR 110 CO 0.34 -0.63 3.17 0.09 -1.34 0.00 0.00 175.55 177.18 1fj3 n ASN 111 N 5.98 6.62 -3.74 4.32 3.02 -1.26 -1.22 115.26 128.98 1fj3 n ASN 111 Ca -0.02 -2.72 -0.04 0.00 -0.03 0.00 0.00 54.58 51.77 1fj3 n ASN 111 Cb 0.49 -1.41 -0.01 0.00 -0.61 0.00 0.00 39.78 38.23 1fj3 n ASN 111 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1fj3 s ASN 112 N 1.54 -0.19 -0.03 6.41 2.47 -1.26 -5.00 114.94 118.87 1fj3 s ASN 112 Ca 0.65 -0.38 -0.11 0.00 0.42 0.00 0.00 52.86 53.44 1fj3 s ASN 112 Cb 0.29 0.48 0.02 0.00 -1.45 0.00 0.00 41.25 40.58 1fj3 s ASN 112 CO -0.07 -0.88 0.24 0.00 -3.72 0.00 0.00 177.10 172.67 1fj3 s ALA 113 N -3.27 -0.61 -0.00 1.71 0.00 -1.26 -1.23 121.76 117.09 1fj3 s ALA 113 Ca 0.12 0.28 -0.28 0.00 0.00 0.00 0.00 51.96 52.08 1fj3 s ALA 113 Cb -0.01 -0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.15 1fj3 s ALA 113 CO 0.02 -0.21 0.73 -0.59 0.00 0.00 0.00 175.76 175.70 1fj3 s PHE 114 N -0.98 -0.55 -0.22 0.00 -0.71 0.62 -4.99 117.98 111.15 1fj3 s PHE 114 Ca -0.11 0.75 -0.24 0.00 -1.04 0.00 0.00 56.93 56.29 1fj3 s PHE 114 Cb -0.05 0.47 -0.01 0.00 -1.21 0.00 0.00 43.02 42.22 1fj3 s PHE 114 CO 0.02 -0.63 0.79 -0.46 -1.34 0.00 0.00 175.22 173.60 1fj3 s TRP 115 N -2.07 3.35 -1.62 3.49 -0.11 -1.26 -0.74 118.94 119.97 1fj3 s TRP 115 Ca -0.05 1.12 0.17 0.00 1.22 0.00 0.00 56.10 58.56 1fj3 s TRP 115 Cb -0.00 -2.99 0.57 0.00 -1.50 0.00 0.00 33.47 29.54 1fj3 s TRP 115 CO 0.01 -0.32 1.46 0.27 -4.62 0.00 0.00 176.95 173.75 1fj3 n ASN 116 N 5.64 3.63 0.00 5.86 6.94 -0.15 -4.92 115.26 132.26 1fj3 n ASN 116 Ca 0.04 -2.18 0.00 0.00 -0.02 0.00 0.00 54.58 52.42 1fj3 n ASN 116 Cb 0.48 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 1fj3 n ASN 116 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1fj3 n GLY 117 N 1.24 3.01 0.00 4.83 0.00 -1.26 -4.72 105.19 108.28 1fj3 n GLY 117 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1fj3 n GLY 117 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fj3 n SER 118 N 0.00 2.59 -3.73 1.61 7.64 -1.26 -5.11 113.62 115.36 1fj3 n SER 118 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1fj3 n SER 118 Cb 0.00 0.39 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 1fj3 n SER 118 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1fj3 s GLU 119 N -1.28 1.60 0.14 1.43 -1.05 -1.26 -4.73 118.70 113.54 1fj3 s GLU 119 Ca 0.00 -0.90 -0.11 0.00 -0.15 0.00 0.00 54.97 53.81 1fj3 s GLU 119 Cb 0.00 0.53 -0.06 0.00 -0.44 0.00 0.00 34.13 34.16 1fj3 s GLU 119 CO 0.00 -0.73 0.48 -1.64 0.95 0.00 0.00 175.26 174.31 1fj3 s MET 120 N -3.50 3.83 -0.04 -4.83 -1.94 -0.28 -0.97 119.30 111.57 1fj3 s MET 120 Ca 0.12 0.28 0.02 0.00 -1.71 0.00 0.00 55.69 54.40 1fj3 s MET 120 Cb -0.04 -2.90 0.02 0.00 2.01 0.00 0.00 34.83 33.92 1fj3 s MET 120 CO 0.06 0.48 -0.07 0.08 -0.01 0.00 0.00 175.02 175.56 1fj3 s VAL 121 N -1.52 0.70 -0.05 -6.03 1.01 0.08 -1.27 120.40 113.30 1fj3 s VAL 121 Ca 0.38 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1fj3 s VAL 121 Cb -0.14 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.58 1fj3 s VAL 121 CO 0.20 0.25 -0.12 -0.31 0.00 0.00 0.00 175.10 175.12 1fj3 s TYR 122 N 0.72 1.39 0.68 5.22 2.02 -0.68 -0.27 117.35 126.42 1fj3 s TYR 122 Ca -0.11 -0.47 -0.09 0.00 -0.37 0.00 0.00 57.07 56.04 1fj3 s TYR 122 Cb -0.14 -1.00 0.03 0.00 -0.40 0.00 0.00 41.96 40.45 1fj3 s TYR 122 CO 0.01 -0.23 1.03 0.20 -1.57 0.00 0.00 175.55 174.99 1fj3 s GLY 123 N 0.50 1.63 0.00 0.71 0.00 -0.37 -2.41 107.32 107.38 1fj3 s GLY 123 Ca -0.11 -0.62 0.25 0.00 0.00 0.00 0.00 44.72 44.24 1fj3 s GLY 123 CO 0.03 -0.26 1.42 1.22 0.00 0.00 0.00 173.10 175.52 1fj3 n ASP 124 N -2.90 1.16 -0.02 1.64 8.00 -1.22 -2.59 116.55 120.63 1fj3 n ASP 124 Ca 0.06 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1fj3 n ASP 124 Cb 0.59 0.26 -0.00 0.00 -0.02 0.00 0.00 41.12 41.94 1fj3 n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fj3 n GLY 125 N 1.38 -1.94 0.88 0.44 0.00 -0.36 -1.91 105.19 103.69 1fj3 n GLY 125 Ca 0.10 -1.50 0.12 0.00 0.00 0.00 0.00 46.02 44.75 1fj3 n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fj3 n ASP 126 N -2.51 2.73 0.00 1.61 5.68 -1.16 -3.96 116.55 118.94 1fj3 n ASP 126 Ca -0.00 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.39 1fj3 n ASP 126 Cb 0.01 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 1fj3 n ASP 126 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fj3 n GLY 127 N 1.33 1.68 0.70 6.12 0.00 -0.28 -4.80 105.19 109.93 1fj3 n GLY 127 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1fj3 n GLY 127 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fj3 n GLN 128 N -2.00 0.19 0.07 1.61 6.02 -1.26 -4.76 117.38 117.26 1fj3 n GLN 128 Ca 0.00 0.08 -0.21 0.00 -0.01 0.00 0.00 57.00 56.86 1fj3 n GLN 128 Cb 0.00 -0.83 -0.15 0.00 1.02 0.00 0.00 30.24 30.28 1fj3 n GLN 128 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1fj3 h THR 129 N -0.31 1.44 -4.15 5.09 2.02 -1.95 -3.36 112.91 111.70 1fj3 h THR 129 Ca -0.23 -2.54 -0.12 0.00 0.77 0.00 0.00 66.41 64.29 1fj3 h THR 129 Cb 1.20 3.10 -0.15 0.00 -1.74 0.00 0.00 68.15 70.57 1fj3 h THR 129 CO -0.13 0.73 -0.60 -0.36 0.37 0.00 0.00 175.52 175.53 1fj3 s PHE 130 N -2.55 0.46 0.47 3.16 0.08 -1.26 0.90 117.98 119.24 1fj3 s PHE 130 Ca -0.12 -0.97 0.07 0.00 0.12 0.00 0.00 56.93 56.03 1fj3 s PHE 130 Cb 0.02 -0.32 0.00 0.00 -0.57 0.00 0.00 43.02 42.15 1fj3 s PHE 130 CO 0.86 -0.43 0.37 0.96 -0.10 0.00 0.00 175.22 176.88 1fj3 s ILE 131 N -3.92 2.22 -0.25 0.64 -4.36 -0.73 -1.13 121.20 113.67 1fj3 s ILE 131 Ca 0.08 -1.44 -0.41 0.00 -0.26 0.00 0.00 60.65 58.62 1fj3 s ILE 131 Cb 0.07 -2.65 -0.17 0.00 1.25 0.00 0.00 42.46 40.95 1fj3 s ILE 131 CO -0.09 0.00 1.59 -2.65 0.24 0.00 0.00 174.94 174.03 1fj3 n PRO 132 N -1.61 0.77 0.25 0.37 -0.02 -0.80 -4.43 135.00 129.53 1fj3 n PRO 132 Ca 0.02 0.28 0.16 0.00 -2.02 0.00 0.00 63.50 61.94 1fj3 n PRO 132 Cb 0.63 -1.90 0.65 0.00 -0.02 0.00 0.00 33.50 32.87 1fj3 n PRO 132 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1fj3 h LEU 133 N 5.90 0.00 0.00 2.45 4.07 -1.76 -1.77 115.31 124.21 1fj3 h LEU 133 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 1fj3 h LEU 133 Cb 1.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.08 1fj3 h LEU 133 CO 0.91 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 176.73 1fj3 n SER 134 N -2.93 0.00 0.00 -0.43 3.41 -1.26 -2.54 113.62 109.88 1fj3 n SER 134 Ca 0.01 0.22 0.09 0.00 -0.26 0.00 0.00 58.87 58.93 1fj3 n SER 134 Cb 0.29 -0.37 0.42 0.00 -0.26 0.00 0.00 64.21 64.29 1fj3 n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fj3 n GLY 135 N 0.29 -1.05 3.50 5.00 0.00 -0.66 -4.31 105.19 107.95 1fj3 n GLY 135 Ca 0.07 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1fj3 n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fj3 s GLY 136 N -2.85 1.98 0.32 -0.02 0.00 -1.05 -4.81 107.32 100.90 1fj3 s GLY 136 Ca 0.12 -1.52 0.08 0.00 0.00 0.00 0.00 44.72 43.40 1fj3 s GLY 136 CO 0.32 0.83 1.76 1.19 0.00 0.00 0.00 173.10 177.20 1fj3 h ILE 137 N 5.56 1.28 -0.48 0.90 2.10 -1.89 -1.89 117.51 123.10 1fj3 h ILE 137 Ca -0.30 -1.34 -0.12 0.00 1.08 0.00 0.00 64.86 64.18 1fj3 h ILE 137 Cb 1.14 1.59 -0.01 0.00 -1.09 0.00 0.00 36.82 38.45 1fj3 h ILE 137 CO 0.67 0.40 -0.19 -2.24 -1.08 0.00 0.00 178.15 175.71 1fj3 h ASP 138 N 0.18 0.97 -0.19 2.19 3.04 -1.94 -1.16 116.42 119.52 1fj3 h ASP 138 Ca 0.02 -0.35 0.00 0.00 -3.24 0.00 0.00 57.03 53.46 1fj3 h ASP 138 Cb 0.71 -0.26 -0.01 0.00 -1.04 0.00 0.00 39.33 38.72 1fj3 h ASP 138 CO 0.05 1.13 0.12 0.58 -2.04 0.00 0.00 179.24 179.08 1fj3 h VAL 139 N 0.83 1.05 -0.34 4.15 2.07 -1.72 0.64 116.25 122.93 1fj3 h VAL 139 Ca 0.11 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1fj3 h VAL 139 Cb 0.75 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1fj3 h VAL 139 CO 0.06 0.05 0.18 0.58 0.02 0.00 0.00 177.57 178.47 1fj3 h VAL 140 N 0.24 1.01 -0.03 2.57 2.07 -1.25 0.04 116.25 120.91 1fj3 h VAL 140 Ca 0.07 -0.13 -0.16 0.00 0.82 0.00 0.00 66.70 67.30 1fj3 h VAL 140 Cb -0.02 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1fj3 h VAL 140 CO -0.01 0.07 -0.69 0.00 0.02 0.00 0.00 177.57 176.96 1fj3 h ALA 141 N 1.16 0.79 -0.15 1.67 0.00 -1.20 -0.30 119.26 121.24 1fj3 h ALA 141 Ca 0.14 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1fj3 h ALA 141 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1fj3 h ALA 141 CO -0.08 0.81 0.07 1.25 0.00 0.00 0.00 179.25 181.30 1fj3 h HIS 142 N 0.09 0.21 -0.36 0.00 6.17 -0.49 -1.41 115.15 119.36 1fj3 h HIS 142 Ca -0.01 -0.01 -0.16 0.00 0.71 0.00 0.00 60.37 60.89 1fj3 h HIS 142 Cb 1.23 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 31.08 1fj3 h HIS 142 CO 0.01 0.26 -0.40 0.93 0.71 0.00 0.00 177.93 179.44 1fj3 h GLU 143 N 0.11 0.90 0.00 5.26 4.39 -0.68 -2.54 114.58 122.02 1fj3 h GLU 143 Ca 0.05 -0.48 -0.04 0.00 0.34 0.00 0.00 59.36 59.23 1fj3 h GLU 143 Cb 0.13 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1fj3 h GLU 143 CO -0.01 1.13 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.70 1fj3 h LEU 144 N 0.73 0.00 -1.30 1.33 3.38 -1.01 -1.27 115.31 117.16 1fj3 h LEU 144 Ca 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1fj3 h LEU 144 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1fj3 h LEU 144 CO 0.10 0.21 -0.26 0.74 0.09 0.00 0.00 178.44 179.32 1fj3 h THR 145 N 0.00 0.74 -0.33 0.22 2.02 -0.83 -2.13 112.91 112.61 1fj3 h THR 145 Ca -0.00 -1.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 1fj3 h THR 145 Cb 0.56 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 1fj3 h THR 145 CO 0.03 0.25 0.05 0.45 0.37 0.00 0.00 175.52 176.67 1fj3 h HIS 146 N 0.00 0.49 -0.59 3.16 3.86 -1.04 -0.82 115.15 120.21 1fj3 h HIS 146 Ca -0.00 -0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.08 1fj3 h HIS 146 Cb 0.67 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.97 1fj3 h HIS 146 CO 0.00 0.45 -0.01 0.00 0.86 0.00 0.00 177.93 179.23 1fj3 h ALA 147 N 1.59 0.80 -0.10 2.45 0.00 -1.43 0.11 119.26 122.68 1fj3 h ALA 147 Ca 0.11 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1fj3 h ALA 147 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1fj3 h ALA 147 CO 0.00 0.64 0.06 0.28 0.00 0.00 0.00 179.25 180.23 1fj3 h VAL 148 N 0.94 1.07 -0.47 0.00 2.07 -1.06 -2.38 116.25 116.43 1fj3 h VAL 148 Ca 0.17 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1fj3 h VAL 148 Cb 0.56 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1fj3 h VAL 148 CO 0.03 0.06 0.20 0.74 0.02 0.00 0.00 177.57 178.62 1fj3 h THR 149 N 0.10 0.90 -0.92 2.57 2.02 -1.13 -1.57 112.91 114.88 1fj3 h THR 149 Ca 0.04 -0.14 0.05 0.00 0.77 0.00 0.00 66.41 67.14 1fj3 h THR 149 Cb 0.04 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 66.87 1fj3 h THR 149 CO -0.01 0.07 0.60 0.44 0.37 0.00 0.00 175.52 176.99 1fj3 h ASP 150 N 0.40 0.95 0.76 4.18 3.32 -0.68 0.59 116.42 125.93 1fj3 h ASP 150 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1fj3 h ASP 150 Cb 0.17 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1fj3 h ASP 150 CO -0.19 0.62 -0.19 -1.22 -1.72 0.00 0.00 179.24 176.54 1fj3 n TYR 151 N -4.47 0.00 0.00 4.55 4.02 -0.89 -4.24 117.16 116.12 1fj3 n TYR 151 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1fj3 n TYR 151 Cb 0.16 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.10 1fj3 n TYR 151 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1fj3 n THR 152 N -1.45 0.00 -0.23 -0.72 -2.24 -0.64 -4.90 114.28 104.08 1fj3 n THR 152 Ca 0.07 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.83 1fj3 n THR 152 Cb 0.33 -0.03 0.18 0.00 -2.10 0.00 0.00 70.33 68.71 1fj3 n THR 152 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fj3 h ALA 153 N 0.64 1.30 -0.58 6.98 0.00 -1.54 -3.47 119.26 122.59 1fj3 h ALA 153 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1fj3 h ALA 153 Cb 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1fj3 h ALA 153 CO 0.00 0.57 -0.09 0.41 0.00 0.00 0.00 179.25 180.14 1fj3 n GLY 154 N -1.18 0.26 3.69 0.00 0.00 0.20 -2.54 105.19 105.62 1fj3 n GLY 154 Ca 0.08 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 44.92 1fj3 n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fj3 n LEU 155 N -0.55 3.64 -4.77 0.99 4.77 -1.26 -4.29 117.00 115.53 1fj3 n LEU 155 Ca -0.04 1.03 -0.31 0.00 -0.03 0.00 0.00 56.01 56.66 1fj3 n LEU 155 Cb 0.53 -1.49 0.08 0.00 -2.33 0.00 0.00 43.42 40.21 1fj3 n LEU 155 CO 0.05 -0.01 0.71 0.27 -1.33 0.00 0.00 177.39 177.08 1fj3 s ILE 156 N 2.00 3.39 -0.81 -0.08 -4.36 -0.51 -4.86 121.20 115.97 1fj3 s ILE 156 Ca 0.81 0.49 -0.03 0.00 -0.26 0.00 0.00 60.65 61.65 1fj3 s ILE 156 Cb -0.58 -3.00 0.18 0.00 1.25 0.00 0.00 42.46 40.31 1fj3 s ILE 156 CO 0.38 -0.55 2.37 -1.22 0.24 0.00 0.00 174.94 176.16 1fj3 n TYR 157 N -3.27 2.32 -3.50 1.37 4.02 -1.26 -1.73 117.16 115.11 1fj3 n TYR 157 Ca 0.09 -2.30 -0.14 0.00 -0.01 0.00 0.00 57.90 55.54 1fj3 n TYR 157 Cb 0.53 -1.39 -0.04 0.00 -0.02 0.00 0.00 39.34 38.41 1fj3 n TYR 157 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1fj3 s GLN 158 N -2.60 1.02 2.33 -0.72 -2.07 -1.26 -4.79 119.66 111.56 1fj3 s GLN 158 Ca 0.53 -0.02 0.00 0.00 -1.82 0.00 0.00 55.36 54.05 1fj3 s GLN 158 Cb 0.33 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.73 1fj3 s GLN 158 CO -0.24 -0.37 0.00 0.09 -1.32 0.00 0.00 175.29 173.45 1fj3 n ASN 159 N 0.40 0.00 -0.16 12.60 3.02 -0.71 -1.58 115.26 128.83 1fj3 n ASN 159 Ca -0.16 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.37 1fj3 n ASN 159 Cb 0.60 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.97 1fj3 n ASN 159 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1fj3 h GLU 160 N 0.00 0.89 -0.35 3.52 5.08 -1.90 -2.15 114.58 119.67 1fj3 h GLU 160 Ca 0.00 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 1fj3 h GLU 160 Cb 0.00 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1fj3 h GLU 160 CO 0.00 0.73 -0.10 0.77 -1.00 0.00 0.00 179.01 179.41 1fj3 h SER 161 N 0.88 0.59 -0.15 1.42 0.02 -1.58 -1.29 113.55 113.44 1fj3 h SER 161 Ca 0.21 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 1fj3 h SER 161 Cb 0.16 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1fj3 h SER 161 CO -0.02 0.72 -0.28 1.23 -1.14 0.00 0.00 176.83 177.34 1fj3 h GLY 162 N 0.95 0.68 1.19 -3.77 0.00 -0.42 -1.33 103.07 100.36 1fj3 h GLY 162 Ca 0.10 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 1fj3 h GLY 162 CO 0.03 0.54 0.10 0.00 0.00 0.00 0.00 176.54 177.21 1fj3 h ALA 163 N 1.15 1.02 -0.66 3.60 0.00 -0.98 0.08 119.26 123.48 1fj3 h ALA 163 Ca 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1fj3 h ALA 163 Cb 0.76 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1fj3 h ALA 163 CO 0.06 0.63 0.31 0.82 0.00 0.00 0.00 179.25 181.07 1fj3 h ILE 164 N 0.94 1.22 -0.23 0.00 2.04 -1.05 -0.51 117.51 119.93 1fj3 h ILE 164 Ca 0.19 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1fj3 h ILE 164 Cb 0.41 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1fj3 h ILE 164 CO 0.01 0.26 0.07 -1.13 0.00 0.00 0.00 178.15 177.37 1fj3 h ASN 165 N 0.91 0.08 -0.59 1.72 -0.73 -0.81 0.59 115.58 116.76 1fj3 h ASN 165 Ca 0.23 0.02 -0.07 0.00 1.87 0.00 0.00 56.30 58.35 1fj3 h ASN 165 Cb 0.12 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.71 1fj3 h ASN 165 CO -0.03 0.08 0.09 -0.33 -0.37 0.00 0.00 177.43 176.86 1fj3 h GLU 166 N 0.18 0.97 -0.61 6.67 4.39 -0.70 -2.56 114.58 122.92 1fj3 h GLU 166 Ca 0.10 -0.27 -0.09 0.00 0.34 0.00 0.00 59.36 59.44 1fj3 h GLU 166 Cb 0.07 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1fj3 h GLU 166 CO -0.11 0.93 0.01 0.00 -1.16 0.00 0.00 179.01 178.68 1fj3 h ALA 167 N 1.01 0.87 -0.89 3.43 0.00 -0.55 -1.31 119.26 121.81 1fj3 h ALA 167 Ca 0.18 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1fj3 h ALA 167 Cb 0.43 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1fj3 h ALA 167 CO 0.01 0.67 0.58 0.82 0.00 0.00 0.00 179.25 181.33 1fj3 h ILE 168 N 0.97 1.15 -0.63 0.00 1.08 -0.82 0.30 117.51 119.56 1fj3 h ILE 168 Ca 0.18 -0.38 -0.07 0.00 -0.39 0.00 0.00 64.86 64.19 1fj3 h ILE 168 Cb 0.54 -0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.19 1fj3 h ILE 168 CO 0.03 0.20 0.13 0.28 -0.69 0.00 0.00 178.15 178.11 1fj3 h SER 169 N 1.12 0.95 -0.39 1.72 0.02 -1.09 -1.24 113.55 114.64 1fj3 h SER 169 Ca 0.35 -0.20 -0.15 0.00 -0.84 0.00 0.00 61.79 60.95 1fj3 h SER 169 Cb -0.00 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1fj3 h SER 169 CO -0.12 0.94 -0.35 0.44 -1.14 0.00 0.00 176.83 176.60 1fj3 h ASP 170 N 0.96 0.99 0.55 3.07 3.32 -0.23 0.11 116.42 125.19 1fj3 h ASP 170 Ca 0.20 -0.45 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 1fj3 h ASP 170 Cb 0.37 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1fj3 h ASP 170 CO 0.00 1.24 -0.28 0.40 -1.72 0.00 0.00 179.24 178.89 1fj3 h ILE 171 N 0.75 0.44 -0.02 0.35 2.04 -0.19 0.38 117.51 121.27 1fj3 h ILE 171 Ca 0.07 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.80 1fj3 h ILE 171 Cb 0.94 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1fj3 h ILE 171 CO 0.09 0.00 -0.57 -0.26 0.00 0.00 0.00 178.15 177.41 1fj3 h PHE 172 N -0.76 0.07 -0.97 1.37 0.04 -1.28 0.15 116.94 115.56 1fj3 h PHE 172 Ca -0.07 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1fj3 h PHE 172 Cb 0.59 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.68 1fj3 h PHE 172 CO -0.05 0.61 0.61 0.78 -0.60 0.00 0.00 178.31 179.66 1fj3 h GLY 173 N 1.64 1.38 0.81 -1.45 0.00 -0.54 -0.81 103.07 104.10 1fj3 h GLY 173 Ca -0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 1fj3 h GLY 173 CO 0.08 0.53 -0.02 -0.84 0.00 0.00 0.00 176.54 176.28 1fj3 h THR 174 N 1.32 1.27 -0.80 4.70 2.02 -0.38 -2.26 112.91 118.79 1fj3 h THR 174 Ca 0.35 -0.95 0.06 0.00 0.77 0.00 0.00 66.41 66.64 1fj3 h THR 174 Cb -0.10 1.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 1fj3 h THR 174 CO -0.07 0.29 0.52 -0.07 0.37 0.00 0.00 175.52 176.56 1fj3 h LEU 175 N 0.12 0.78 -0.76 2.58 3.38 -0.72 -1.24 115.31 119.44 1fj3 h LEU 175 Ca 0.05 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1fj3 h LEU 175 Cb 0.45 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1fj3 h LEU 175 CO 0.02 0.51 -0.06 0.58 0.09 0.00 0.00 178.44 179.57 1fj3 h VAL 176 N 0.88 1.26 -0.50 1.22 2.07 -1.04 0.16 116.25 120.31 1fj3 h VAL 176 Ca 0.34 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 1fj3 h VAL 176 Cb 0.20 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1fj3 h VAL 176 CO -0.12 0.40 0.13 -0.08 0.02 0.00 0.00 177.57 177.92 1fj3 h GLU 177 N 0.80 0.75 -0.25 1.57 4.81 -0.77 0.14 114.58 121.63 1fj3 h GLU 177 Ca 0.14 -0.14 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1fj3 h GLU 177 Cb 0.57 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1fj3 h GLU 177 CO 0.03 0.68 -0.44 0.74 -0.73 0.00 0.00 179.01 179.29 1fj3 h PHE 178 N 0.73 0.92 -0.74 0.92 0.04 -0.96 -1.87 116.94 115.98 1fj3 h PHE 178 Ca 0.16 -0.32 -0.01 0.00 2.80 0.00 0.00 57.97 60.60 1fj3 h PHE 178 Cb 0.26 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.20 1fj3 h PHE 178 CO 0.01 1.11 0.42 -0.92 -0.60 0.00 0.00 178.31 178.34 1fj3 h TYR 179 N 0.47 0.99 0.00 -0.55 3.20 -0.14 -1.11 116.97 119.83 1fj3 h TYR 179 Ca 0.02 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1fj3 h TYR 179 Cb 1.04 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.99 1fj3 h TYR 179 CO 0.08 0.67 -0.08 0.00 -1.64 0.00 0.00 178.16 177.19 1fj3 n ALA 180 N -2.43 2.45 -3.68 1.82 0.00 -0.01 -4.92 120.51 113.74 1fj3 n ALA 180 Ca 0.08 -0.10 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 1fj3 n ALA 180 Cb 0.08 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.17 1fj3 n ALA 180 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1fj3 n ASN 181 N -1.81 -3.70 -4.28 0.00 5.15 -0.42 -4.90 115.26 105.29 1fj3 n ASN 181 Ca 0.06 -0.70 -0.44 0.00 -0.60 0.00 0.00 54.58 52.90 1fj3 n ASN 181 Cb 0.38 -4.46 0.00 0.00 -0.53 0.00 0.00 39.78 35.17 1fj3 n ASN 181 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1fj3 n LYS 182 N -4.55 3.62 -3.88 1.20 5.02 -1.07 -4.69 118.16 113.79 1fj3 n LYS 182 Ca -0.12 -4.14 -0.39 0.00 -2.02 0.00 0.00 58.31 51.63 1fj3 n LYS 182 Cb 0.60 -2.77 0.03 0.00 -0.02 0.00 0.00 35.03 32.88 1fj3 n LYS 182 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1fj3 n ASN 183 N 3.69 -4.74 -4.76 4.39 3.02 -1.26 -4.85 115.26 110.75 1fj3 n ASN 183 Ca 0.31 -1.15 -0.33 0.00 -0.03 0.00 0.00 54.58 53.38 1fj3 n ASN 183 Cb 0.39 -2.44 0.06 0.00 -0.61 0.00 0.00 39.78 37.19 1fj3 n ASN 183 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1fj3 s PRO 184 N -6.66 2.58 0.20 3.52 0.04 -1.26 -5.06 135.00 128.35 1fj3 s PRO 184 Ca 0.46 1.41 -0.09 0.00 0.04 0.00 0.00 61.00 62.82 1fj3 s PRO 184 Cb -0.22 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.44 1fj3 s PRO 184 CO 0.92 -1.43 0.47 -0.40 0.04 0.00 0.00 177.00 176.60 1fj3 n ASP 185 N -2.68 -1.22 -1.47 6.66 5.68 -1.26 -5.04 116.55 117.22 1fj3 n ASP 185 Ca 0.11 -1.81 -0.01 0.00 -0.50 0.00 0.00 54.79 52.57 1fj3 n ASP 185 Cb 0.52 2.02 0.26 0.00 -1.14 0.00 0.00 41.12 42.79 1fj3 n ASP 185 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1fj3 n TRP 186 N -0.32 1.69 -4.09 2.11 7.02 -1.26 -4.94 117.44 117.65 1fj3 n TRP 186 Ca -0.04 -1.21 -0.22 0.00 -1.02 0.00 0.00 57.50 55.01 1fj3 n TRP 186 Cb 0.33 -0.54 -0.04 0.00 -2.42 0.00 0.00 31.31 28.64 1fj3 n TRP 186 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1fj3 s GLU 187 N -3.01 2.85 -0.10 -0.99 0.41 -1.26 -0.27 118.70 116.32 1fj3 s GLU 187 Ca 0.49 -1.12 0.03 0.00 -0.41 0.00 0.00 54.97 53.96 1fj3 s GLU 187 Cb 0.40 -2.52 -0.01 0.00 -1.78 0.00 0.00 34.13 30.23 1fj3 s GLU 187 CO 0.09 0.36 -0.20 0.42 -0.49 0.00 0.00 175.26 175.43 1fj3 s ILE 188 N -2.17 2.42 -0.01 -1.63 -1.09 0.15 -4.72 121.20 114.15 1fj3 s ILE 188 Ca 0.34 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 1fj3 s ILE 188 Cb -0.07 -1.95 0.00 0.00 -1.58 0.00 0.00 42.46 38.85 1fj3 s ILE 188 CO 0.25 0.55 0.00 0.61 -1.23 0.00 0.00 174.94 175.12 1fj3 n GLY 189 N 3.41 0.43 0.26 6.18 0.00 -1.26 -1.12 105.19 113.09 1fj3 n GLY 189 Ca -0.18 -0.70 0.14 0.00 0.00 0.00 0.00 46.02 45.27 1fj3 n GLY 189 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1fj3 h GLU 190 N 0.35 0.00 0.00 1.61 9.09 -1.84 -1.53 114.58 122.26 1fj3 h GLU 190 Ca -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.38 1fj3 h GLU 190 Cb 0.01 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.11 1fj3 h GLU 190 CO 0.00 0.12 -0.11 -0.44 0.05 0.00 0.00 179.01 178.63 1fj3 h ASP 191 N 0.00 0.00 -0.00 3.06 3.32 -1.91 -3.33 116.42 117.55 1fj3 h ASP 191 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1fj3 h ASP 191 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1fj3 h ASP 191 CO 0.02 0.11 -0.04 1.33 -1.72 0.00 0.00 179.24 178.93 1fj3 n VAL 192 N -3.14 0.00 -3.22 -1.35 0.24 -0.77 -4.87 118.33 105.21 1fj3 n VAL 192 Ca 0.03 -0.48 -0.31 0.00 -2.04 0.00 0.00 64.34 61.54 1fj3 n VAL 192 Cb 0.53 1.04 -0.05 0.00 -1.47 0.00 0.00 33.84 33.89 1fj3 n VAL 192 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1fj3 s TYR 193 N -0.59 3.43 -0.04 6.34 5.04 -0.65 -1.78 117.35 129.09 1fj3 s TYR 193 Ca 0.02 0.96 -0.04 0.00 -2.44 0.00 0.00 57.07 55.58 1fj3 s TYR 193 Cb 0.02 -2.35 0.01 0.00 0.35 0.00 0.00 41.96 39.99 1fj3 s TYR 193 CO 0.06 0.13 0.06 0.25 -1.34 0.00 0.00 175.55 174.71 1fj3 n THR 194 N -0.54 -0.58 0.18 4.34 -2.24 0.26 -4.88 114.28 110.81 1fj3 n THR 194 Ca 0.01 0.06 0.17 0.00 -2.27 0.00 0.00 64.05 62.02 1fj3 n THR 194 Cb 0.53 -0.67 0.78 0.00 -2.10 0.00 0.00 70.33 68.88 1fj3 n THR 194 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1fj3 h PRO 195 N 1.04 0.00 0.00 -0.78 0.13 -1.82 -1.69 132.00 128.88 1fj3 h PRO 195 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1fj3 h PRO 195 Cb 0.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1fj3 h PRO 195 CO 0.02 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.20 1fj3 n GLY 196 N -1.46 -1.53 3.15 1.56 0.00 -1.26 -4.79 105.19 100.85 1fj3 n GLY 196 Ca 0.02 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1fj3 n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fj3 s ILE 197 N -3.02 2.16 0.55 -0.61 1.01 -0.64 -5.13 121.20 115.52 1fj3 s ILE 197 Ca 0.13 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.79 1fj3 s ILE 197 Cb 0.18 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1fj3 s ILE 197 CO 0.54 0.53 0.90 -0.44 0.00 0.00 0.00 174.94 176.48 1fj3 s SER 198 N 1.19 6.18 0.00 3.58 0.01 -1.26 -4.40 113.70 119.00 1fj3 s SER 198 Ca 0.02 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.40 1fj3 s SER 198 Cb -0.14 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1fj3 s SER 198 CO -0.10 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.41 1fj3 n GLY 199 N -2.50 0.72 0.55 3.44 0.00 -1.26 -5.03 105.19 101.11 1fj3 n GLY 199 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 1fj3 n GLY 199 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fj3 n ASP 200 N -0.04 0.94 -3.42 1.61 5.75 -1.26 -5.15 116.55 114.98 1fj3 n ASP 200 Ca 0.00 -1.26 -0.03 0.00 -0.01 0.00 0.00 54.79 53.49 1fj3 n ASP 200 Cb 0.02 -0.02 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1fj3 n ASP 200 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1fj3 s SER 201 N -1.48 -0.01 0.04 -1.12 1.04 -1.26 -4.54 113.70 106.36 1fj3 s SER 201 Ca 0.06 -0.62 -0.18 0.00 0.48 0.00 0.00 55.95 55.69 1fj3 s SER 201 Cb -0.00 0.48 -0.21 0.00 0.10 0.00 0.00 66.02 66.39 1fj3 s SER 201 CO 0.04 -0.95 1.17 0.25 0.98 0.00 0.00 173.24 174.73 1fj3 h LEU 202 N 2.00 0.65 -7.80 2.42 5.85 -1.39 -3.47 115.31 113.57 1fj3 h LEU 202 Ca -0.27 -0.71 -0.09 0.00 0.84 0.00 0.00 57.88 57.65 1fj3 h LEU 202 Cb 1.22 -0.20 -0.15 0.00 0.37 0.00 0.00 40.66 41.90 1fj3 h LEU 202 CO 0.35 1.27 -0.39 -0.13 -0.34 0.00 0.00 178.44 179.20 1fj3 s ARG 203 N -3.43 0.80 -0.08 1.25 0.52 -1.21 -4.98 118.95 111.81 1fj3 s ARG 203 Ca -0.12 -0.88 0.04 0.00 -0.52 0.00 0.00 55.73 54.25 1fj3 s ARG 203 Cb 0.05 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.85 1fj3 s ARG 203 CO 0.85 -0.24 -0.21 0.45 0.02 0.00 0.00 175.30 176.16 1fj3 s SER 204 N -2.66 2.69 0.03 0.23 0.15 -1.26 0.32 113.70 113.21 1fj3 s SER 204 Ca 0.02 -0.47 0.06 0.00 0.70 0.00 0.00 55.95 56.26 1fj3 s SER 204 Cb 0.03 -1.11 -0.24 0.00 -1.71 0.00 0.00 66.02 63.00 1fj3 s SER 204 CO -0.09 0.14 0.95 0.24 1.20 0.00 0.00 173.24 175.68 1fj3 h MET 205 N 6.62 0.08 0.00 5.44 0.00 -0.98 -2.83 114.93 123.26 1fj3 h MET 205 Ca -0.25 -0.13 -0.15 0.00 0.00 0.00 0.00 59.70 59.17 1fj3 h MET 205 Cb 1.21 0.05 -0.02 0.00 0.00 0.00 0.00 31.60 32.84 1fj3 h MET 205 CO 0.47 0.88 -0.71 0.66 0.00 0.00 0.00 176.91 178.21 1fj3 h SER 206 N 0.02 0.00 -1.53 1.22 4.64 -1.87 -3.31 113.55 112.72 1fj3 h SER 206 Ca -0.17 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.77 1fj3 h SER 206 Cb 1.92 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.74 1fj3 h SER 206 CO 0.12 0.71 -0.76 -0.67 -0.87 0.00 0.00 176.83 175.36 1fj3 n ASP 207 N -3.47 -1.77 -0.15 4.97 2.03 -1.26 -5.00 116.55 111.91 1fj3 n ASP 207 Ca 0.00 -2.73 0.16 0.00 0.52 0.00 0.00 54.79 52.74 1fj3 n ASP 207 Cb 0.75 0.56 0.52 0.00 -0.72 0.00 0.00 41.12 42.23 1fj3 n ASP 207 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1fj3 h PRO 208 N 4.98 0.38 0.00 -0.67 0.11 -1.71 -1.57 132.00 133.52 1fj3 h PRO 208 Ca 0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1fj3 h PRO 208 Cb 0.99 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1fj3 h PRO 208 CO 0.25 0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.29 1fj3 h ALA 209 N 1.65 1.00 0.00 -0.75 0.00 -1.75 -2.02 119.26 117.38 1fj3 h ALA 209 Ca 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1fj3 h ALA 209 Cb 0.85 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1fj3 h ALA 209 CO -0.11 0.00 -0.03 -0.22 0.00 0.00 0.00 179.25 178.89 1fj3 h LYS 210 N 0.00 0.00 -0.35 0.00 3.64 -1.58 0.26 116.57 118.54 1fj3 h LYS 210 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1fj3 h LYS 210 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1fj3 h LYS 210 CO 0.00 0.03 0.00 0.66 -2.27 0.00 0.00 179.45 177.87 1fj3 n TYR 211 N -4.46 0.92 -0.76 1.91 4.01 -1.00 -4.96 117.16 112.82 1fj3 n TYR 211 Ca -0.03 -0.72 0.00 0.00 -0.16 0.00 0.00 57.90 56.99 1fj3 n TYR 211 Cb 0.11 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 1fj3 n TYR 211 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fj3 n GLY 212 N 0.05 0.60 3.90 2.72 0.00 0.08 -5.06 105.19 107.47 1fj3 n GLY 212 Ca 0.19 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1fj3 n GLY 212 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fj3 s ASP 213 N -2.16 6.50 0.51 1.61 1.01 -0.80 -4.91 116.67 118.44 1fj3 s ASP 213 Ca 0.00 0.75 -0.22 0.00 0.71 0.00 0.00 52.55 53.80 1fj3 s ASP 213 Cb 0.00 -2.16 -0.06 0.00 1.01 0.00 0.00 42.92 41.71 1fj3 s ASP 213 CO 0.00 -0.13 1.24 -2.16 0.21 0.00 0.00 175.17 174.33 1fj3 s PRO 214 N -3.23 3.40 -0.05 8.23 0.04 -1.26 -2.31 135.00 139.83 1fj3 s PRO 214 Ca 0.44 1.95 0.07 0.00 0.04 0.00 0.00 61.00 63.50 1fj3 s PRO 214 Cb -0.11 -2.27 0.10 0.00 0.04 0.00 0.00 34.50 32.26 1fj3 s PRO 214 CO 0.27 -0.89 0.98 -0.40 0.04 0.00 0.00 177.00 177.00 1fj3 n ASP 215 N -0.88 1.61 -3.65 6.66 5.75 -1.26 -2.83 116.55 121.94 1fj3 n ASP 215 Ca 0.09 -2.25 -0.15 0.00 -0.01 0.00 0.00 54.79 52.48 1fj3 n ASP 215 Cb 0.47 -0.18 -0.08 0.00 -1.03 0.00 0.00 41.12 40.31 1fj3 n ASP 215 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1fj3 s HIS 216 N -1.40 -0.57 0.46 2.11 5.04 -1.26 -4.70 115.29 114.96 1fj3 s HIS 216 Ca 0.11 1.26 0.13 0.00 -1.54 0.00 0.00 55.06 55.02 1fj3 s HIS 216 Cb 0.10 0.25 1.07 0.00 0.04 0.00 0.00 32.58 34.03 1fj3 s HIS 216 CO 0.01 -0.39 2.08 -0.92 -2.34 0.00 0.00 174.74 173.18 1fj3 h TYR 217 N 4.48 0.17 0.00 3.88 3.20 -0.17 0.91 116.97 129.44 1fj3 h TYR 217 Ca -0.28 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.59 1fj3 h TYR 217 Cb 1.16 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.38 1fj3 h TYR 217 CO 0.41 0.16 0.00 -1.13 -1.64 0.00 0.00 178.16 175.96 1fj3 n SER 218 N -4.46 0.28 -1.30 -2.11 3.41 -1.26 -2.42 113.62 105.76 1fj3 n SER 218 Ca -0.01 0.57 0.10 0.00 -0.26 0.00 0.00 58.87 59.27 1fj3 n SER 218 Cb 0.12 -0.63 0.31 0.00 -0.26 0.00 0.00 64.21 63.75 1fj3 n SER 218 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1fj3 n LYS 219 N -1.81 3.07 -2.07 4.33 5.02 0.31 -5.01 118.16 122.01 1fj3 n LYS 219 Ca 0.03 -2.64 -0.37 0.00 -2.02 0.00 0.00 58.31 53.31 1fj3 n LYS 219 Cb 0.18 -1.63 0.02 0.00 -0.02 0.00 0.00 35.03 33.58 1fj3 n LYS 219 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1fj3 s ARG 220 N -1.32 3.24 -0.05 1.97 1.70 -1.01 -4.63 118.95 118.85 1fj3 s ARG 220 Ca 0.45 1.86 -0.30 0.00 -0.47 0.00 0.00 55.73 57.27 1fj3 s ARG 220 Cb 0.26 -2.11 -0.03 0.00 -0.57 0.00 0.00 34.95 32.50 1fj3 s ARG 220 CO 0.27 -1.00 1.07 -0.47 -1.08 0.00 0.00 175.30 174.09 1fj3 s TYR 221 N -1.55 3.47 -1.56 5.89 5.04 -1.26 -4.94 117.35 122.43 1fj3 s TYR 221 Ca 0.72 1.50 0.13 0.00 -2.44 0.00 0.00 57.07 56.99 1fj3 s TYR 221 Cb -0.31 -3.25 0.15 0.00 0.35 0.00 0.00 41.96 38.90 1fj3 s TYR 221 CO 0.35 -0.54 0.98 0.25 -1.34 0.00 0.00 175.55 175.26 1fj3 n THR 222 N 4.33 0.17 -0.40 4.34 -2.24 -1.26 -4.80 114.28 114.42 1fj3 n THR 222 Ca 0.09 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1fj3 n THR 222 Cb 0.48 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1fj3 n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fj3 n GLY 223 N 0.74 0.44 0.00 3.38 0.00 -1.26 -5.05 105.19 103.44 1fj3 n GLY 223 Ca 0.09 -1.67 0.06 0.00 0.00 0.00 0.00 46.02 44.49 1fj3 n GLY 223 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fj3 n THR 224 N 0.00 0.00 -0.67 2.61 -2.24 -1.26 -4.30 114.28 108.42 1fj3 n THR 224 Ca 0.00 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.22 1fj3 n THR 224 Cb 0.00 0.59 0.17 0.00 -2.10 0.00 0.00 70.33 68.99 1fj3 n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fj3 n GLN 225 N -1.62 -0.66 -4.11 -0.78 6.02 -1.26 -2.74 117.38 112.23 1fj3 n GLN 225 Ca -0.00 -0.13 -0.30 0.00 -0.01 0.00 0.00 57.00 56.55 1fj3 n GLN 225 Cb 0.25 -2.25 -0.04 0.00 1.02 0.00 0.00 30.24 29.23 1fj3 n GLN 225 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1fj3 n ASP 226 N -3.74 -1.08 -4.00 1.08 2.03 -1.26 -1.56 116.55 108.01 1fj3 n ASP 226 Ca 0.10 -1.06 -0.29 0.00 0.52 0.00 0.00 54.79 54.06 1fj3 n ASP 226 Cb 0.53 -2.69 -0.01 0.00 -0.72 0.00 0.00 41.12 38.23 1fj3 n ASP 226 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1fj3 n ASN 227 N -2.85 -2.04 0.00 1.67 4.13 -1.23 -1.50 115.26 113.43 1fj3 n ASN 227 Ca -0.18 -0.95 0.00 0.00 1.68 0.00 0.00 54.58 55.13 1fj3 n ASN 227 Cb 0.62 -3.20 0.00 0.00 -1.54 0.00 0.00 39.78 35.66 1fj3 n ASN 227 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fj3 n GLY 228 N -1.73 0.41 1.86 7.41 0.00 -0.64 -1.73 105.19 110.76 1fj3 n GLY 228 Ca -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1fj3 n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fj3 n GLY 229 N -1.11 0.50 0.28 -0.02 0.00 -0.57 -4.36 105.19 99.92 1fj3 n GLY 229 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 46.02 45.23 1fj3 n GLY 229 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1fj3 h VAL 230 N 0.00 1.12 0.00 1.61 -1.51 -1.46 0.22 116.25 116.23 1fj3 h VAL 230 Ca 0.00 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 1fj3 h VAL 230 Cb 0.95 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 1fj3 h VAL 230 CO 0.00 0.15 -0.62 1.41 -1.23 0.00 0.00 177.57 177.28 1fj3 n HIS 231 N -4.41 0.42 -0.10 5.19 8.25 -1.26 -3.67 115.22 119.65 1fj3 n HIS 231 Ca 0.01 0.12 -0.19 0.00 -0.26 0.00 0.00 57.72 57.41 1fj3 n HIS 231 Cb 0.14 -0.57 -0.09 0.00 1.12 0.00 0.00 29.99 30.59 1fj3 n HIS 231 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1fj3 n ILE 232 N -1.98 1.51 0.75 1.59 5.41 -0.53 -4.39 119.36 121.72 1fj3 n ILE 232 Ca 0.04 -0.01 0.10 0.00 1.00 0.00 0.00 62.75 63.87 1fj3 n ILE 232 Cb 0.42 -2.10 0.46 0.00 -0.71 0.00 0.00 39.64 37.70 1fj3 n ILE 232 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1fj3 n ASN 233 N -4.45 0.00 0.30 4.38 3.02 0.67 -1.67 115.26 117.52 1fj3 n ASN 233 Ca -0.29 0.43 0.19 0.00 -0.03 0.00 0.00 54.58 54.87 1fj3 n ASN 233 Cb 0.62 -0.47 0.93 0.00 -0.61 0.00 0.00 39.78 40.25 1fj3 n ASN 233 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1fj3 h SER 234 N 0.00 0.00 -0.50 6.41 4.64 -1.73 -2.35 113.55 120.02 1fj3 h SER 234 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1fj3 h SER 234 Cb 0.34 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 1fj3 h SER 234 CO 0.00 0.03 0.33 1.23 -0.87 0.00 0.00 176.83 177.55 1fj3 h GLY 235 N 0.87 0.54 1.11 -0.77 0.00 -1.52 -0.34 103.07 102.96 1fj3 h GLY 235 Ca -0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1fj3 h GLY 235 CO 0.00 0.13 0.09 -2.22 0.00 0.00 0.00 176.54 174.54 1fj3 h ILE 236 N 0.43 1.26 0.08 2.60 2.04 -1.26 -0.81 117.51 121.86 1fj3 h ILE 236 Ca 0.22 -1.05 -0.26 0.00 1.00 0.00 0.00 64.86 64.77 1fj3 h ILE 236 Cb 0.31 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1fj3 h ILE 236 CO -0.06 0.39 -1.13 0.40 0.00 0.00 0.00 178.15 177.75 1fj3 h ILE 237 N 1.01 1.46 -0.84 -0.67 1.08 -1.53 -2.54 117.51 115.47 1fj3 h ILE 237 Ca 0.20 -2.83 -0.01 0.00 -0.39 0.00 0.00 64.86 61.83 1fj3 h ILE 237 Cb 0.45 2.75 -0.04 0.00 -3.07 0.00 0.00 36.82 36.91 1fj3 h ILE 237 CO 0.02 0.83 0.47 0.78 -0.69 0.00 0.00 178.15 179.56 1fj3 h ASN 238 N 0.13 1.05 -0.56 1.72 2.35 -0.94 0.14 115.58 119.46 1fj3 h ASN 238 Ca -0.11 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.43 1fj3 h ASN 238 Cb 1.82 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 39.91 1fj3 h ASN 238 CO 0.19 0.84 -0.08 0.50 -1.65 0.00 0.00 177.43 177.23 1fj3 h LYS 239 N 1.17 1.04 -0.65 0.81 1.63 -1.14 -0.65 116.57 118.79 1fj3 h LYS 239 Ca 0.30 -0.37 0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1fj3 h LYS 239 Cb 0.01 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.52 1fj3 h LYS 239 CO -0.05 1.06 0.39 0.00 -3.45 0.00 0.00 179.45 177.40 1fj3 h ALA 240 N 0.94 0.85 -0.22 5.00 0.00 -1.00 -0.19 119.26 124.64 1fj3 h ALA 240 Ca 0.15 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1fj3 h ALA 240 Cb 0.64 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1fj3 h ALA 240 CO 0.04 0.11 -0.34 0.00 0.00 0.00 0.00 179.25 179.07 1fj3 h ALA 241 N 1.30 1.00 -0.59 0.00 0.00 -0.64 -1.30 119.26 119.04 1fj3 h ALA 241 Ca 0.27 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1fj3 h ALA 241 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1fj3 h ALA 241 CO -0.13 0.60 0.04 -0.92 0.00 0.00 0.00 179.25 178.84 1fj3 h TYR 242 N 0.40 1.09 -0.55 0.00 3.20 -0.71 -1.87 116.97 118.53 1fj3 h TYR 242 Ca 0.05 -0.17 -0.11 0.00 3.14 0.00 0.00 58.73 61.63 1fj3 h TYR 242 Cb 0.79 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1fj3 h TYR 242 CO 0.03 0.96 -0.08 -0.07 -1.64 0.00 0.00 178.16 177.35 1fj3 h LEU 243 N 0.90 1.02 -0.59 2.82 3.38 -0.76 0.31 115.31 122.40 1fj3 h LEU 243 Ca 0.17 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1fj3 h LEU 243 Cb 0.49 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1fj3 h LEU 243 CO 0.02 1.11 0.37 0.40 0.09 0.00 0.00 178.44 180.44 1fj3 h ILE 244 N 0.92 1.11 0.14 1.22 2.04 -1.00 0.54 117.51 122.47 1fj3 h ILE 244 Ca 0.15 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1fj3 h ILE 244 Cb 0.64 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1fj3 h ILE 244 CO 0.04 0.14 -0.07 -1.28 0.00 0.00 0.00 178.15 176.99 1fj3 h SER 245 N 0.75 -0.16 0.07 1.72 0.87 -1.06 0.93 113.55 116.68 1fj3 h SER 245 Ca 0.23 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1fj3 h SER 245 Cb -0.03 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1fj3 h SER 245 CO -0.07 0.38 -1.94 0.00 -0.53 0.00 0.00 176.83 174.67 1fj3 n GLN 246 N -4.92 0.66 -0.05 2.24 1.13 0.11 -0.80 117.38 115.74 1fj3 n GLN 246 Ca -0.08 -0.17 0.01 0.00 -1.94 0.00 0.00 57.00 54.81 1fj3 n GLN 246 Cb 0.27 -1.54 -0.00 0.00 0.11 0.00 0.00 30.24 29.08 1fj3 n GLN 246 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1fj3 n GLY 247 N 1.27 -1.84 0.00 1.08 0.00 0.19 -4.31 105.19 101.58 1fj3 n GLY 247 Ca -0.04 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1fj3 n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fj3 n GLY 248 N -2.28 1.95 3.22 -0.02 0.00 -0.30 -4.75 105.19 103.00 1fj3 n GLY 248 Ca -0.00 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 1fj3 n GLY 248 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fj3 s THR 249 N -1.69 2.29 -0.05 2.61 2.01 -1.26 -0.58 115.64 118.96 1fj3 s THR 249 Ca 0.00 -0.91 -0.00 0.00 0.31 0.00 0.00 61.69 61.08 1fj3 s THR 249 Cb 0.00 -1.92 0.03 0.00 0.01 0.00 0.00 72.50 70.61 1fj3 s THR 249 CO 0.00 0.54 -0.00 -2.28 -0.69 0.00 0.00 174.62 172.19 1fj3 s HIS 250 N 0.66 0.56 -1.59 4.92 5.04 -0.05 -4.74 115.29 120.10 1fj3 s HIS 250 Ca -0.10 -0.11 -0.16 0.00 -1.54 0.00 0.00 55.06 53.16 1fj3 s HIS 250 Cb -0.16 -0.66 0.12 0.00 0.04 0.00 0.00 32.58 31.91 1fj3 s HIS 250 CO 0.02 -0.24 0.87 0.66 -2.34 0.00 0.00 174.74 173.70 1fj3 n TYR 251 N 4.70 -2.04 -1.00 3.88 4.01 -1.26 -0.80 117.16 124.65 1fj3 n TYR 251 Ca -0.15 0.82 0.00 0.00 -0.16 0.00 0.00 57.90 58.42 1fj3 n TYR 251 Cb 0.50 -3.47 0.00 0.00 -0.31 0.00 0.00 39.34 36.06 1fj3 n TYR 251 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fj3 n GLY 252 N -1.52 0.67 3.50 2.72 0.00 -1.26 -5.01 105.19 104.29 1fj3 n GLY 252 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1fj3 n GLY 252 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fj3 s VAL 253 N -2.69 4.02 -0.14 1.61 1.01 0.02 -5.08 120.40 119.16 1fj3 s VAL 253 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 1fj3 s VAL 253 Cb 0.00 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1fj3 s VAL 253 CO 0.00 0.47 0.16 -0.44 0.00 0.00 0.00 175.10 175.30 1fj3 s SER 254 N 0.52 6.37 -0.09 3.32 0.01 -1.26 -0.87 113.70 121.70 1fj3 s SER 254 Ca -0.02 0.44 0.01 0.00 1.31 0.00 0.00 55.95 57.69 1fj3 s SER 254 Cb -0.14 -2.09 0.02 0.00 0.21 0.00 0.00 66.02 64.01 1fj3 s SER 254 CO 0.02 0.32 -0.11 -0.69 0.41 0.00 0.00 173.24 173.20 1fj3 s VAL 255 N -0.55 1.12 -0.21 3.43 1.01 0.25 -4.89 120.40 120.56 1fj3 s VAL 255 Ca 0.14 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.43 1fj3 s VAL 255 Cb -0.12 -1.06 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 1fj3 s VAL 255 CO 0.03 0.36 0.89 -0.69 0.00 0.00 0.00 175.10 175.69 1fj3 s VAL 256 N 1.05 4.81 0.53 2.92 1.01 -1.26 -1.15 120.40 128.30 1fj3 s VAL 256 Ca -0.07 1.72 -0.20 0.00 0.00 0.00 0.00 61.98 63.42 1fj3 s VAL 256 Cb -0.15 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 1fj3 s VAL 256 CO -0.01 -0.07 1.12 -0.83 0.00 0.00 0.00 175.10 175.32 1fj3 s GLY 257 N 1.24 2.63 0.00 4.51 0.00 -1.26 -4.70 107.32 109.74 1fj3 s GLY 257 Ca 0.39 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.92 1fj3 s GLY 257 CO 0.09 1.17 0.46 0.29 0.00 0.00 0.00 173.10 175.11 1fj3 n ILE 258 N -1.16 0.00 0.00 0.90 -5.35 0.32 -4.84 119.36 109.22 1fj3 n ILE 258 Ca 0.11 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 1fj3 n ILE 258 Cb 0.51 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 1fj3 n ILE 258 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fj3 n GLY 259 N 0.22 1.41 0.15 3.28 0.00 0.02 -4.54 105.19 105.72 1fj3 n GLY 259 Ca 0.01 -2.02 -0.23 0.00 0.00 0.00 0.00 46.02 43.78 1fj3 n GLY 259 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fj3 h ARG 260 N 0.00 0.49 -0.22 1.61 3.08 -1.93 -1.92 114.38 115.48 1fj3 h ARG 260 Ca 0.00 -0.77 0.05 0.00 0.07 0.00 0.00 59.98 59.33 1fj3 h ARG 260 Cb 0.00 0.27 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 1fj3 h ARG 260 CO 0.00 1.36 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.73 1fj3 h ASP 261 N 0.02 -0.30 0.04 7.04 3.32 -1.98 -0.46 116.42 124.09 1fj3 h ASP 261 Ca -0.20 0.08 -0.12 0.00 0.02 0.00 0.00 57.03 56.81 1fj3 h ASP 261 Cb 1.91 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 41.63 1fj3 h ASP 261 CO 0.22 -0.12 -0.38 0.11 -1.72 0.00 0.00 179.24 177.36 1fj3 h LYS 262 N -0.05 0.45 -0.19 3.56 1.57 -1.78 -2.15 116.57 117.99 1fj3 h LYS 262 Ca 0.12 -0.21 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1fj3 h LYS 262 Cb 0.22 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 1fj3 h LYS 262 CO -0.26 0.76 -0.10 1.25 -0.57 0.00 0.00 179.45 180.53 1fj3 h LEU 263 N 0.38 -0.33 -0.59 2.94 5.85 -0.95 -0.43 115.31 122.18 1fj3 h LEU 263 Ca 0.04 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1fj3 h LEU 263 Cb 0.83 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1fj3 h LEU 263 CO 0.07 -0.13 0.37 1.23 -0.34 0.00 0.00 178.44 179.64 1fj3 h GLY 264 N -0.09 0.84 1.14 3.75 0.00 -0.94 -1.86 103.07 105.91 1fj3 h GLY 264 Ca 0.11 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 1fj3 h GLY 264 CO -0.24 0.32 -0.11 0.50 0.00 0.00 0.00 176.54 177.00 1fj3 h LYS 265 N 0.79 1.00 0.10 4.80 1.57 -1.00 -0.84 116.57 122.99 1fj3 h LYS 265 Ca 0.21 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1fj3 h LYS 265 Cb -0.06 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1fj3 h LYS 265 CO -0.04 1.05 -0.05 0.82 -0.57 0.00 0.00 179.45 180.66 1fj3 h ILE 266 N 0.89 1.01 -0.09 1.86 2.04 -0.98 -2.44 117.51 119.79 1fj3 h ILE 266 Ca 0.14 -0.39 -0.12 0.00 1.00 0.00 0.00 64.86 65.49 1fj3 h ILE 266 Cb 0.67 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1fj3 h ILE 266 CO 0.05 0.10 -0.48 -0.26 0.00 0.00 0.00 178.15 177.55 1fj3 h PHE 267 N -0.31 0.28 -0.50 1.37 -1.00 -1.29 -1.55 116.94 113.95 1fj3 h PHE 267 Ca -0.01 -0.09 -0.11 0.00 2.81 0.00 0.00 57.97 60.57 1fj3 h PHE 267 Cb 0.26 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.74 1fj3 h PHE 267 CO -0.01 0.67 -0.12 -0.92 -1.61 0.00 0.00 178.31 176.32 1fj3 h TYR 268 N 0.19 1.04 -0.28 -0.55 3.20 -1.14 -0.01 116.97 119.42 1fj3 h TYR 268 Ca 0.01 -0.21 -0.04 0.00 3.14 0.00 0.00 58.73 61.62 1fj3 h TYR 268 Cb 0.92 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1fj3 h TYR 268 CO 0.02 0.99 0.00 -0.09 -1.64 0.00 0.00 178.16 177.44 1fj3 h ARG 269 N 0.83 0.49 -0.72 1.82 2.43 -1.38 -0.63 114.38 117.22 1fj3 h ARG 269 Ca 0.13 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1fj3 h ARG 269 Cb 0.66 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.13 1fj3 h ARG 269 CO 0.05 0.64 0.46 0.00 -1.51 0.00 0.00 179.97 179.61 1fj3 h ALA 270 N 0.83 0.92 -0.53 2.80 0.00 -1.12 -0.52 119.26 121.64 1fj3 h ALA 270 Ca 0.08 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1fj3 h ALA 270 Cb 0.42 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1fj3 h ALA 270 CO 0.01 0.36 -0.09 1.25 0.00 0.00 0.00 179.25 180.78 1fj3 h LEU 271 N 0.98 0.98 0.00 0.00 5.85 -0.85 -0.96 115.31 121.31 1fj3 h LEU 271 Ca 0.26 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1fj3 h LEU 271 Cb -0.08 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.68 1fj3 h LEU 271 CO -0.05 1.09 -0.90 0.35 -0.34 0.00 0.00 178.44 178.59 1fj3 n THR 272 N -4.15 0.05 0.00 1.05 -2.24 -0.26 -3.50 114.28 105.24 1fj3 n THR 272 Ca 0.02 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1fj3 n THR 272 Cb 0.39 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1fj3 n THR 272 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fj3 n GLN 273 N -1.67 1.68 0.00 -0.78 1.13 -0.22 -4.89 117.38 112.63 1fj3 n GLN 273 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1fj3 n GLN 273 Cb 0.37 -0.88 0.00 0.00 0.11 0.00 0.00 30.24 29.85 1fj3 n GLN 273 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1fj3 n TYR 274 N -1.19 0.00 -2.89 1.08 4.01 -0.48 -5.04 117.16 112.65 1fj3 n TYR 274 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 1fj3 n TYR 274 Cb 0.05 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.01 1fj3 n TYR 274 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1fj3 s LEU 275 N -1.99 4.03 0.42 7.72 1.43 -0.56 -4.99 118.68 124.75 1fj3 s LEU 275 Ca 0.00 1.61 0.03 0.00 -1.03 0.00 0.00 54.13 54.74 1fj3 s LEU 275 Cb 0.00 -4.34 -0.03 0.00 0.03 0.00 0.00 46.19 41.85 1fj3 s LEU 275 CO 0.00 -0.27 0.09 0.42 0.23 0.00 0.00 176.35 176.81 1fj3 s THR 276 N -2.04 0.85 0.50 5.49 -4.23 -1.26 -4.57 115.64 110.37 1fj3 s THR 276 Ca 0.58 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.26 1fj3 s THR 276 Cb -0.11 -2.37 0.25 0.00 1.34 0.00 0.00 72.50 71.61 1fj3 s THR 276 CO 0.16 0.00 2.10 -0.65 -0.54 0.00 0.00 174.62 175.69 1fj3 h PRO 277 N 1.72 0.00 -0.18 3.99 0.11 -1.68 -2.68 132.00 133.29 1fj3 h PRO 277 Ca -0.38 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 1fj3 h PRO 277 Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1fj3 h PRO 277 CO 0.63 0.07 -0.04 0.25 -0.21 0.00 0.00 178.00 178.69 1fj3 n THR 278 N -4.37 2.21 -1.73 -1.15 -2.24 -1.26 -1.42 114.28 104.32 1fj3 n THR 278 Ca -0.03 -2.24 -0.41 0.00 -2.27 0.00 0.00 64.05 59.10 1fj3 n THR 278 Cb 0.15 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1fj3 n THR 278 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1fj3 n SER 279 N -0.95 3.07 -3.43 3.42 7.64 -1.01 -4.83 113.62 117.53 1fj3 n SER 279 Ca 0.22 1.17 -0.13 0.00 1.01 0.00 0.00 58.87 61.14 1fj3 n SER 279 Cb 0.83 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1fj3 n SER 279 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1fj3 n ASN 280 N 0.40 1.83 -0.19 6.43 0.23 -1.26 -3.53 115.26 119.17 1fj3 n ASN 280 Ca 0.04 -1.94 -0.05 0.00 -0.53 0.00 0.00 54.58 52.10 1fj3 n ASN 280 Cb 0.39 -0.03 0.12 0.00 -2.08 0.00 0.00 39.78 38.17 1fj3 n ASN 280 CO 0.00 0.00 0.00 -0.26 -0.93 0.00 0.00 177.26 176.07 1fj3 h PHE 281 N 0.55 1.02 -1.00 -2.53 -1.00 -1.95 -0.90 116.94 111.13 1fj3 h PHE 281 Ca -0.17 -0.11 0.03 0.00 2.81 0.00 0.00 57.97 60.53 1fj3 h PHE 281 Cb 0.64 -0.29 -0.06 0.00 3.61 0.00 0.00 35.95 39.85 1fj3 h PHE 281 CO 0.00 0.85 0.66 1.03 -1.61 0.00 0.00 178.31 179.24 1fj3 h SER 282 N 0.93 1.10 0.68 2.17 0.87 -1.94 -0.81 113.55 116.55 1fj3 h SER 282 Ca 0.20 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.64 1fj3 h SER 282 Cb 0.35 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1fj3 h SER 282 CO 0.00 0.76 -0.49 1.56 -0.53 0.00 0.00 176.83 178.13 1fj3 h GLN 283 N 1.28 0.00 -0.59 2.24 4.20 -1.82 -2.29 115.11 118.14 1fj3 h GLN 283 Ca 0.39 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 59.00 1fj3 h GLN 283 Cb -0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1fj3 h GLN 283 CO -0.12 0.49 -0.04 1.25 -0.67 0.00 0.00 178.83 179.75 1fj3 h LEU 284 N 0.00 1.06 -0.21 1.46 5.85 -0.38 0.37 115.31 123.46 1fj3 h LEU 284 Ca -0.00 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1fj3 h LEU 284 Cb 0.97 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1fj3 h LEU 284 CO 0.06 1.12 0.13 -0.09 -0.34 0.00 0.00 178.44 179.33 1fj3 h ARG 285 N 0.97 0.28 -1.01 1.25 2.43 -0.85 0.03 114.38 117.47 1fj3 h ARG 285 Ca 0.16 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 1fj3 h ARG 285 Cb 0.61 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.03 1fj3 h ARG 285 CO 0.04 0.21 0.66 0.00 -1.51 0.00 0.00 179.97 179.36 1fj3 h ALA 286 N 1.05 1.37 -0.53 2.80 0.00 -1.05 -0.94 119.26 121.97 1fj3 h ALA 286 Ca 0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1fj3 h ALA 286 Cb -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1fj3 h ALA 286 CO -0.02 0.51 -0.01 0.00 0.00 0.00 0.00 179.25 179.73 1fj3 h ALA 287 N 1.43 0.71 -0.26 0.00 0.00 -0.45 -0.68 119.26 120.02 1fj3 h ALA 287 Ca 0.42 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1fj3 h ALA 287 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1fj3 h ALA 287 CO -0.15 0.54 -0.49 0.00 0.00 0.00 0.00 179.25 179.16 1fj3 h ALA 288 N 0.94 0.65 -0.14 0.00 0.00 -0.68 -0.26 119.26 119.77 1fj3 h ALA 288 Ca 0.15 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1fj3 h ALA 288 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1fj3 h ALA 288 CO 0.03 0.68 0.03 0.28 0.00 0.00 0.00 179.25 180.27 1fj3 h VAL 289 N 0.56 1.20 -0.89 0.00 2.07 -1.13 -0.25 116.25 117.81 1fj3 h VAL 289 Ca 0.03 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.92 1fj3 h VAL 289 Cb 1.05 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 1fj3 h VAL 289 CO 0.10 0.19 0.59 -0.61 0.02 0.00 0.00 177.57 177.86 1fj3 h GLN 290 N 0.02 1.17 -0.32 1.57 5.75 -1.06 -0.04 115.11 122.21 1fj3 h GLN 290 Ca 0.04 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1fj3 h GLN 290 Cb 0.26 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1fj3 h GLN 290 CO 0.00 0.77 0.18 0.77 -2.65 0.00 0.00 178.83 177.91 1fj3 h SER 291 N 1.21 0.39 -0.90 -0.69 0.02 -0.77 0.68 113.55 113.48 1fj3 h SER 291 Ca 0.33 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1fj3 h SER 291 Cb -0.13 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.27 1fj3 h SER 291 CO -0.07 0.34 0.50 0.00 -1.14 0.00 0.00 176.83 176.46 1fj3 h ALA 292 N 1.06 1.17 -0.11 3.77 0.00 -0.87 -1.06 119.26 123.23 1fj3 h ALA 292 Ca 0.11 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1fj3 h ALA 292 Cb 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1fj3 h ALA 292 CO -0.02 0.67 0.05 1.15 0.00 0.00 0.00 179.25 181.10 1fj3 h THR 293 N 1.27 1.00 -0.66 0.00 2.02 -0.60 0.21 112.91 116.14 1fj3 h THR 293 Ca 0.32 -0.04 0.09 0.00 0.77 0.00 0.00 66.41 67.55 1fj3 h THR 293 Cb 0.02 0.88 -0.07 0.00 -1.74 0.00 0.00 68.15 67.24 1fj3 h THR 293 CO -0.05 0.02 0.30 0.44 0.37 0.00 0.00 175.52 176.60 1fj3 h ASP 294 N 0.11 0.36 0.32 4.18 3.32 -0.54 0.81 116.42 124.98 1fj3 h ASP 294 Ca 0.04 0.07 -0.33 0.00 0.02 0.00 0.00 57.03 56.83 1fj3 h ASP 294 Cb 0.01 0.01 0.03 0.00 0.22 0.00 0.00 39.33 39.60 1fj3 h ASP 294 CO -0.03 0.21 -1.49 -0.07 -1.72 0.00 0.00 179.24 176.14 1fj3 h LEU 295 N 0.52 0.74 -0.76 1.55 3.38 -0.95 -3.41 115.31 116.38 1fj3 h LEU 295 Ca 0.33 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1fj3 h LEU 295 Cb 0.36 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1fj3 h LEU 295 CO -0.28 1.66 -0.01 -1.22 0.09 0.00 0.00 178.44 178.69 1fj3 n TYR 296 N -3.66 0.00 0.00 1.13 4.01 0.70 -5.10 117.16 114.24 1fj3 n TYR 296 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1fj3 n TYR 296 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.12 1fj3 n TYR 296 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fj3 n GLY 297 N 0.30 1.14 0.15 2.72 0.00 0.27 -4.45 105.19 105.32 1fj3 n GLY 297 Ca 0.00 -1.52 0.12 0.00 0.00 0.00 0.00 46.02 44.62 1fj3 n GLY 297 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fj3 n SER 298 N -0.21 0.63 -0.83 1.61 3.41 -1.26 -1.92 113.62 115.04 1fj3 n SER 298 Ca 0.00 0.72 0.04 0.00 -0.26 0.00 0.00 58.87 59.37 1fj3 n SER 298 Cb 0.00 -0.83 0.22 0.00 -0.26 0.00 0.00 64.21 63.33 1fj3 n SER 298 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1fj3 n THR 299 N -2.27 2.31 -1.87 6.66 -2.24 -1.26 -4.89 114.28 110.73 1fj3 n THR 299 Ca 0.00 -2.33 -0.31 0.00 -2.27 0.00 0.00 64.05 59.15 1fj3 n THR 299 Cb 0.13 -0.28 0.02 0.00 -2.10 0.00 0.00 70.33 68.11 1fj3 n THR 299 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1fj3 s SER 300 N -2.38 5.91 0.41 3.42 1.04 -0.81 -4.97 113.70 116.33 1fj3 s SER 300 Ca 0.41 1.32 0.13 0.00 0.48 0.00 0.00 55.95 58.28 1fj3 s SER 300 Cb 0.36 -2.27 0.88 0.00 0.10 0.00 0.00 66.02 65.09 1fj3 s SER 300 CO 0.04 -1.06 1.94 -0.61 0.98 0.00 0.00 173.24 174.52 1fj3 h GLN 301 N -0.46 0.07 -0.44 4.02 5.75 -1.92 -2.57 115.11 119.56 1fj3 h GLN 301 Ca -0.44 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.01 1fj3 h GLN 301 Cb 1.21 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.74 1fj3 h GLN 301 CO 0.63 0.28 0.17 0.93 -2.65 0.00 0.00 178.83 178.18 1fj3 h GLU 302 N 0.07 0.67 -0.73 1.69 3.07 -1.93 -1.05 114.58 116.37 1fj3 h GLU 302 Ca 0.01 -0.13 -0.05 0.00 -0.50 0.00 0.00 59.36 58.70 1fj3 h GLU 302 Cb 0.40 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 1fj3 h GLU 302 CO 0.03 0.62 0.27 0.28 -1.40 0.00 0.00 179.01 178.81 1fj3 h VAL 303 N 0.58 1.25 -0.85 3.13 2.07 -1.80 -2.23 116.25 118.40 1fj3 h VAL 303 Ca 0.15 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1fj3 h VAL 303 Cb 0.21 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1fj3 h VAL 303 CO -0.01 0.33 0.41 0.00 0.02 0.00 0.00 177.57 178.32 1fj3 h ALA 304 N 1.13 1.10 -0.30 1.67 0.00 -1.03 -2.05 119.26 119.78 1fj3 h ALA 304 Ca 0.24 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1fj3 h ALA 304 Cb 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1fj3 h ALA 304 CO -0.02 0.67 -0.46 0.77 0.00 0.00 0.00 179.25 180.21 1fj3 h SER 305 N 1.21 0.86 -0.49 0.00 0.02 -1.08 -1.19 113.55 112.87 1fj3 h SER 305 Ca 0.29 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1fj3 h SER 305 Cb 0.12 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1fj3 h SER 305 CO -0.04 1.18 0.32 0.58 -1.14 0.00 0.00 176.83 177.74 1fj3 h VAL 306 N 0.63 1.13 -0.55 2.27 2.07 -1.19 -1.51 116.25 119.09 1fj3 h VAL 306 Ca 0.04 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1fj3 h VAL 306 Cb 1.03 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1fj3 h VAL 306 CO 0.10 0.12 0.35 0.11 0.02 0.00 0.00 177.57 178.27 1fj3 h LYS 307 N 0.66 0.74 -0.73 1.57 1.57 -1.16 -2.53 116.57 116.69 1fj3 h LYS 307 Ca 0.18 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1fj3 h LYS 307 Cb -0.07 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 1fj3 h LYS 307 CO -0.04 0.51 0.23 1.96 -0.57 0.00 0.00 179.45 181.54 1fj3 h GLN 308 N 0.75 1.13 -0.29 3.15 1.08 -1.13 -0.22 115.11 119.58 1fj3 h GLN 308 Ca 0.20 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1fj3 h GLN 308 Cb -0.05 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.20 1fj3 h GLN 308 CO -0.04 0.96 0.14 0.00 -0.95 0.00 0.00 178.83 178.95 1fj3 h ALA 309 N 1.15 0.37 -0.37 3.87 0.00 -1.12 0.19 119.26 123.36 1fj3 h ALA 309 Ca 0.24 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1fj3 h ALA 309 Cb 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1fj3 h ALA 309 CO -0.01 -0.07 -0.16 0.74 0.00 0.00 0.00 179.25 179.75 1fj3 h PHE 310 N 0.34 0.76 -0.84 0.00 0.04 -1.36 -2.56 116.94 113.33 1fj3 h PHE 310 Ca 0.10 -0.15 0.01 0.00 2.80 0.00 0.00 57.97 60.74 1fj3 h PHE 310 Cb 0.11 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.02 1fj3 h PHE 310 CO -0.02 0.81 0.56 -0.44 -0.60 0.00 0.00 178.31 178.61 1fj3 h ASP 311 N 0.62 0.95 -0.13 2.17 3.32 -0.72 0.42 116.42 123.05 1fj3 h ASP 311 Ca 0.10 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1fj3 h ASP 311 Cb 0.63 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1fj3 h ASP 311 CO 0.04 0.68 -0.01 0.00 -1.72 0.00 0.00 179.24 178.24 1fj3 h ALA 312 N 1.32 1.54 -0.68 3.45 0.00 -0.35 -1.92 119.26 122.63 1fj3 h ALA 312 Ca 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1fj3 h ALA 312 Cb -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1fj3 h ALA 312 CO -0.08 0.33 0.00 1.33 0.00 0.00 0.00 179.25 180.84 1fj3 n VAL 313 N -4.33 1.51 -1.37 0.00 0.24 -0.98 -4.67 118.33 108.73 1fj3 n VAL 313 Ca 0.00 -1.10 -0.01 0.00 -2.04 0.00 0.00 64.34 61.20 1fj3 n VAL 313 Cb 0.21 0.25 -0.00 0.00 -1.47 0.00 0.00 33.84 32.82 1fj3 n VAL 313 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fj3 n GLY 314 N 1.33 0.43 3.48 7.63 0.00 -0.54 0.54 105.19 118.06 1fj3 n GLY 314 Ca 0.25 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 1fj3 n GLY 314 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fj3 s VAL 315 N -2.06 5.04 -2.50 1.61 1.01 0.03 -4.65 120.40 118.88 1fj3 s VAL 315 Ca 0.00 -0.40 0.20 0.00 0.00 0.00 0.00 61.98 61.78 1fj3 s VAL 315 Cb 0.00 -3.64 0.16 0.00 0.00 0.00 0.00 36.38 32.90 1fj3 s VAL 315 CO 0.00 -0.06 1.13 0.29 0.00 0.00 0.00 175.10 176.47