#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mj5 n THR 5 N 0.00 0.00 -3.87 3.15 -2.24 -1.26 -3.54 114.28 106.52 3mj5 n THR 5 Ca 0.00 -0.57 -0.08 0.00 -2.27 0.00 0.00 64.05 61.13 3mj5 n THR 5 Cb 0.00 -1.63 -0.02 0.00 -2.10 0.00 0.00 70.33 66.58 3mj5 n THR 5 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3mj5 s ILE 6 N -2.73 0.00 -0.18 2.28 1.10 -0.26 -4.80 121.20 116.60 3mj5 s ILE 6 Ca 0.46 -1.06 -0.02 0.00 -0.51 0.00 0.00 60.65 59.53 3mj5 s ILE 6 Cb -0.02 -2.19 -0.01 0.00 0.15 0.00 0.00 42.46 40.39 3mj5 s ILE 6 CO 0.33 0.00 -0.09 -1.59 -2.11 0.00 0.00 174.94 171.48 3mj5 s LYS 7 N -3.63 3.35 0.44 3.50 -2.85 -1.26 0.22 119.74 119.51 3mj5 s LYS 7 Ca 0.13 -0.67 0.04 0.00 -1.00 0.00 0.00 55.97 54.47 3mj5 s LYS 7 Cb -0.05 -2.82 -0.02 0.00 -2.06 0.00 0.00 37.83 32.89 3mj5 s LYS 7 CO 0.08 -0.03 0.12 0.14 0.10 0.00 0.00 175.35 175.77 3mj5 s VAL 8 N 0.99 0.58 -0.01 1.79 -7.23 -0.57 -2.37 120.40 113.60 3mj5 s VAL 8 Ca -0.01 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.22 3mj5 s VAL 8 Cb -0.15 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 3mj5 s VAL 8 CO -0.01 0.00 -0.18 -0.36 -0.31 0.00 0.00 175.10 174.24 3mj5 s PHE 9 N -3.13 2.56 0.13 2.82 0.08 -0.92 -0.29 117.98 119.22 3mj5 s PHE 9 Ca 0.19 -0.26 0.10 0.00 0.12 0.00 0.00 56.93 57.08 3mj5 s PHE 9 Cb 0.01 -1.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.89 3mj5 s PHE 9 CO 0.13 0.17 -0.25 0.95 -0.10 0.00 0.00 175.22 176.11 3mj5 s THR 10 N -0.79 2.13 0.24 0.64 -4.23 -0.65 -0.43 115.64 112.54 3mj5 s THR 10 Ca 0.12 -1.73 -0.13 0.00 -1.18 0.00 0.00 61.69 58.78 3mj5 s THR 10 Cb -0.10 -1.90 -0.00 0.00 1.34 0.00 0.00 72.50 71.83 3mj5 s THR 10 CO 0.02 0.04 0.47 0.28 -0.54 0.00 0.00 174.62 174.89 3mj5 s THR 11 N -1.13 0.01 0.00 3.99 -1.32 0.50 -1.20 115.64 116.48 3mj5 s THR 11 Ca 0.13 -1.35 0.00 0.00 -1.21 0.00 0.00 61.69 59.25 3mj5 s THR 11 Cb -0.10 -2.13 0.00 0.00 -1.51 0.00 0.00 72.50 68.77 3mj5 s THR 11 CO 0.06 -0.03 0.00 1.33 -2.21 0.00 0.00 174.62 173.77 3mj5 n VAL 12 N -0.37 0.00 0.05 5.08 0.24 -1.26 -2.59 118.33 119.48 3mj5 n VAL 12 Ca -0.03 -0.04 0.01 0.00 -2.04 0.00 0.00 64.34 62.24 3mj5 n VAL 12 Cb 0.62 0.40 -0.01 0.00 -1.47 0.00 0.00 33.84 33.38 3mj5 n VAL 12 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3mj5 n ASP 13 N -0.90 0.92 0.00 -1.34 5.68 -1.26 -4.94 116.55 114.71 3mj5 n ASP 13 Ca 0.00 -0.43 0.00 0.00 -0.50 0.00 0.00 54.79 53.86 3mj5 n ASP 13 Cb 0.00 1.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.99 3mj5 n ASP 13 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3mj5 n ASN 14 N -1.13 -2.55 -0.05 -1.12 5.15 -1.26 -4.76 115.26 109.55 3mj5 n ASN 14 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 3mj5 n ASN 14 Cb 0.02 -0.86 -0.05 0.00 -0.53 0.00 0.00 39.78 38.37 3mj5 n ASN 14 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 3mj5 n THR 15 N -2.60 0.60 -3.49 -0.44 -1.04 -1.26 -4.96 114.28 101.10 3mj5 n THR 15 Ca 0.00 -0.20 -0.39 0.00 -2.04 0.00 0.00 64.05 61.42 3mj5 n THR 15 Cb 0.06 -1.15 -0.10 0.00 -1.82 0.00 0.00 70.33 67.32 3mj5 n THR 15 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3mj5 s ASN 16 N -5.37 6.12 0.07 8.00 0.01 -1.26 -5.07 114.94 117.44 3mj5 s ASN 16 Ca -0.15 0.05 0.05 0.00 -0.71 0.00 0.00 52.86 52.11 3mj5 s ASN 16 Cb 0.04 -2.16 -0.04 0.00 0.41 0.00 0.00 41.25 39.50 3mj5 s ASN 16 CO 0.22 -0.14 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.86 3mj5 s LEU 17 N 1.90 3.23 -0.17 0.60 1.02 -1.26 -4.41 118.68 119.59 3mj5 s LEU 17 Ca 0.10 -0.25 -0.02 0.00 0.02 0.00 0.00 54.13 53.99 3mj5 s LEU 17 Cb -0.16 -1.96 0.05 0.00 0.02 0.00 0.00 46.19 44.13 3mj5 s LEU 17 CO 0.11 0.20 0.00 -1.00 0.02 0.00 0.00 176.35 175.68 3mj5 s HIS 18 N -1.20 1.18 0.13 0.29 3.76 -0.34 -4.91 115.29 114.21 3mj5 s HIS 18 Ca 0.22 -0.82 -0.31 0.00 -0.15 0.00 0.00 55.06 53.99 3mj5 s HIS 18 Cb -0.11 -1.08 -0.09 0.00 1.11 0.00 0.00 32.58 32.41 3mj5 s HIS 18 CO 0.14 -0.57 1.44 0.99 -0.85 0.00 0.00 174.74 175.89 3mj5 s THR 19 N 1.80 3.10 -0.03 1.30 2.01 -1.26 -1.64 115.64 120.92 3mj5 s THR 19 Ca 0.00 0.79 0.00 0.00 0.31 0.00 0.00 61.69 62.79 3mj5 s THR 19 Cb -0.16 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 68.87 3mj5 s THR 19 CO -0.07 0.06 0.02 -1.10 -0.69 0.00 0.00 174.62 172.84 3mj5 s GLN 20 N 1.10 0.13 -0.06 4.92 -1.52 0.60 -4.96 119.66 119.87 3mj5 s GLN 20 Ca 0.66 0.14 -0.30 0.00 -1.95 0.00 0.00 55.36 53.92 3mj5 s GLN 20 Cb -0.39 -0.38 -0.04 0.00 -0.22 0.00 0.00 33.01 31.97 3mj5 s GLN 20 CO 0.31 -0.16 1.44 -0.51 -0.25 0.00 0.00 175.29 176.11 3mj5 s LEU 21 N 1.12 4.28 -0.43 2.90 1.43 -1.26 -1.51 118.68 125.21 3mj5 s LEU 21 Ca -0.08 2.04 -0.09 0.00 -1.03 0.00 0.00 54.13 54.96 3mj5 s LEU 21 Cb -0.13 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 42.63 3mj5 s LEU 21 CO -0.02 -0.79 0.28 -0.69 0.23 0.00 0.00 176.35 175.36 3mj5 s VAL 22 N 3.17 4.26 -0.02 -1.59 1.01 0.59 -4.94 120.40 122.88 3mj5 s VAL 22 Ca 0.64 -1.47 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 3mj5 s VAL 22 Cb -0.29 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 3mj5 s VAL 22 CO 0.24 -0.56 1.90 -0.62 0.00 0.00 0.00 175.10 176.06 3mj5 s ASP 23 N 2.24 6.39 0.55 3.32 -1.08 -1.26 -1.11 116.67 125.73 3mj5 s ASP 23 Ca 0.04 2.44 0.27 0.00 -0.52 0.00 0.00 52.55 54.77 3mj5 s ASP 23 Cb -0.24 -2.53 1.47 0.00 -1.46 0.00 0.00 42.92 40.16 3mj5 s ASP 23 CO 0.02 -1.13 2.00 -0.03 0.52 0.00 0.00 175.17 176.55 3mj5 h MET 24 N 10.82 0.00 0.16 4.34 1.85 -1.87 -3.00 114.93 127.23 3mj5 h MET 24 Ca -0.46 0.00 0.02 0.00 -0.61 0.00 0.00 59.70 58.65 3mj5 h MET 24 Cb 1.22 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 33.21 3mj5 h MET 24 CO 0.95 0.00 -0.43 0.77 -0.40 0.00 0.00 176.91 177.80 3mj5 h SER 25 N 0.00 -1.26 -3.68 1.39 0.02 -1.89 -3.42 113.55 104.71 3mj5 h SER 25 Ca 0.21 0.14 -0.28 0.00 -0.84 0.00 0.00 61.79 61.01 3mj5 h SER 25 Cb 0.93 0.47 0.09 0.00 0.14 0.00 0.00 62.40 64.03 3mj5 h SER 25 CO -0.00 -0.51 0.21 0.23 -1.14 0.00 0.00 176.83 175.62 3mj5 n MET 26 N -5.47 -0.52 -3.93 3.45 2.81 -1.14 -5.00 117.12 107.32 3mj5 n MET 26 Ca -0.08 -1.46 -0.33 0.00 -1.81 0.00 0.00 57.70 54.02 3mj5 n MET 26 Cb 0.39 -0.74 -0.05 0.00 -0.71 0.00 0.00 33.22 32.11 3mj5 n MET 26 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3mj5 s THR 27 N -2.56 5.35 0.29 2.03 -4.23 -1.24 -4.35 115.64 110.93 3mj5 s THR 27 Ca 0.47 -0.24 0.02 0.00 -1.18 0.00 0.00 61.69 60.76 3mj5 s THR 27 Cb -0.02 -3.52 0.35 0.00 1.34 0.00 0.00 72.50 70.65 3mj5 s THR 27 CO 0.32 0.29 1.61 1.88 -0.54 0.00 0.00 174.62 178.18 3mj5 h TYR 28 N 3.68 0.17 -0.98 3.99 0.05 -1.23 0.48 116.97 123.14 3mj5 h TYR 28 Ca -0.48 0.06 0.20 0.00 0.05 0.00 0.00 58.73 58.56 3mj5 h TYR 28 Cb 1.18 0.07 -0.09 0.00 1.01 0.00 0.00 36.73 38.90 3mj5 h TYR 28 CO 0.65 -0.32 0.62 0.78 -1.05 0.00 0.00 178.16 178.84 3mj5 h GLY 29 N 0.10 1.41 2.00 3.88 0.00 0.80 1.33 103.07 112.60 3mj5 h GLY 29 Ca 0.57 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.51 3mj5 h GLY 29 CO -0.76 -0.04 -0.46 1.46 0.00 0.00 0.00 176.54 176.73 3mj5 h GLN 30 N 0.61 0.00 0.02 4.80 4.20 -0.25 -2.03 115.11 122.46 3mj5 h GLN 30 Ca 0.54 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.89 3mj5 h GLN 30 Cb 1.04 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.77 3mj5 h GLN 30 CO -0.30 0.46 -2.23 1.04 -0.67 0.00 0.00 178.83 177.14 3mj5 n GLN 31 N -3.57 0.68 -0.01 1.46 6.02 0.17 -4.72 117.38 117.41 3mj5 n GLN 31 Ca -0.00 0.13 -0.01 0.00 -0.01 0.00 0.00 57.00 57.11 3mj5 n GLN 31 Cb 0.57 -1.60 -0.02 0.00 1.02 0.00 0.00 30.24 30.21 3mj5 n GLN 31 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3mj5 n PHE 32 N -3.05 0.00 0.00 1.08 3.72 0.41 -5.09 117.46 114.52 3mj5 n PHE 32 Ca -0.33 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 3mj5 n PHE 32 Cb 1.08 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 3mj5 n PHE 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mj5 n GLY 33 N 2.91 -1.09 3.57 1.37 0.00 -0.76 -4.80 105.19 106.39 3mj5 n GLY 33 Ca -0.04 -2.12 -0.49 0.00 0.00 0.00 0.00 46.02 43.38 3mj5 n GLY 33 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mj5 n PRO 34 N 0.00 1.08 -3.83 1.61 -0.02 -1.26 -3.56 135.00 129.01 3mj5 n PRO 34 Ca 0.00 0.38 -0.12 0.00 -2.02 0.00 0.00 63.50 61.74 3mj5 n PRO 34 Cb 0.00 -1.84 -0.09 0.00 -0.02 0.00 0.00 33.50 31.55 3mj5 n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3mj5 s THR 35 N -0.33 0.08 0.05 3.45 2.01 -1.26 -3.31 115.64 116.33 3mj5 s THR 35 Ca 0.72 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 3mj5 s THR 35 Cb -0.85 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 3mj5 s THR 35 CO 0.53 -0.35 0.00 -0.31 -0.69 0.00 0.00 174.62 173.81 3mj5 s TYR 36 N -1.47 0.44 -0.18 4.92 2.02 -1.04 -1.69 117.35 120.35 3mj5 s TYR 36 Ca -0.14 -0.94 -0.04 0.00 -0.37 0.00 0.00 57.07 55.59 3mj5 s TYR 36 Cb -0.06 -0.32 0.06 0.00 -0.40 0.00 0.00 41.96 41.24 3mj5 s TYR 36 CO 0.02 -0.38 0.06 -1.17 -1.57 0.00 0.00 175.55 172.51 3mj5 s LEU 37 N -2.74 0.81 -1.87 -1.29 2.96 0.76 -2.09 118.68 115.22 3mj5 s LEU 37 Ca 0.04 -0.73 0.00 0.00 -0.22 0.00 0.00 54.13 53.22 3mj5 s LEU 37 Cb 0.06 -0.44 0.00 0.00 0.50 0.00 0.00 46.19 46.31 3mj5 s LEU 37 CO -0.09 -0.32 0.00 0.47 -1.32 0.00 0.00 176.35 175.09 3mj5 n ASP 38 N 5.15 -5.65 0.00 3.68 8.00 -1.26 -0.52 116.55 125.95 3mj5 n ASP 38 Ca -0.08 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.57 3mj5 n ASP 38 Cb 0.48 -4.79 0.00 0.00 -0.02 0.00 0.00 41.12 36.79 3mj5 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mj5 n GLY 39 N -0.81 2.78 3.69 0.44 0.00 -1.26 -4.77 105.19 105.26 3mj5 n GLY 39 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3mj5 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mj5 s ALA 40 N -2.65 3.60 0.07 4.61 0.00 0.32 -4.53 121.76 123.20 3mj5 s ALA 40 Ca 0.00 0.94 -0.31 0.00 0.00 0.00 0.00 51.96 52.59 3mj5 s ALA 40 Cb 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 3mj5 s ALA 40 CO 0.00 -0.97 1.29 0.34 0.00 0.00 0.00 175.76 176.42 3mj5 s ASP 41 N 2.04 6.96 0.00 0.00 -1.08 -1.26 -0.17 116.67 123.15 3mj5 s ASP 41 Ca 0.66 2.14 0.08 0.00 -0.52 0.00 0.00 52.55 54.91 3mj5 s ASP 41 Cb -0.33 -2.58 0.13 0.00 -1.46 0.00 0.00 42.92 38.68 3mj5 s ASP 41 CO 0.27 -0.57 0.96 1.33 0.52 0.00 0.00 175.17 177.69 3mj5 n VAL 42 N 4.02 0.00 -0.24 1.11 0.24 -0.68 -4.94 118.33 117.83 3mj5 n VAL 42 Ca 0.10 -0.29 -0.05 0.00 -2.04 0.00 0.00 64.34 62.06 3mj5 n VAL 42 Cb 0.44 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 3mj5 n VAL 42 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3mj5 h THR 43 N 6.38 0.11 -3.59 3.34 2.02 -1.85 -3.18 112.91 116.15 3mj5 h THR 43 Ca -0.14 0.00 -0.73 0.00 0.77 0.00 0.00 66.41 66.31 3mj5 h THR 43 Cb 1.48 0.11 -0.32 0.00 -1.74 0.00 0.00 68.15 67.68 3mj5 h THR 43 CO -0.01 0.00 -0.24 -0.54 0.37 0.00 0.00 175.52 175.10 3mj5 s LYS 44 N -5.94 2.83 0.19 6.66 1.02 -1.26 0.41 119.74 123.66 3mj5 s LYS 44 Ca -0.14 -2.40 -0.18 0.00 0.02 0.00 0.00 55.97 53.26 3mj5 s LYS 44 Cb 0.16 -3.95 0.03 0.00 -0.52 0.00 0.00 37.83 33.55 3mj5 s LYS 44 CO 0.69 -1.21 0.53 0.42 -0.92 0.00 0.00 175.35 174.86 3mj5 s ILE 45 N 0.20 0.02 0.02 2.17 1.01 -1.20 -4.95 121.20 118.47 3mj5 s ILE 45 Ca 0.16 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 60.00 3mj5 s ILE 45 Cb -0.18 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 3mj5 s ILE 45 CO -0.05 -0.11 0.31 -0.54 0.00 0.00 0.00 174.94 174.55 3mj5 s LYS 46 N -3.86 3.64 -0.31 2.79 1.02 -1.26 -1.52 119.74 120.24 3mj5 s LYS 46 Ca 0.08 0.02 -0.28 0.00 0.02 0.00 0.00 55.97 55.82 3mj5 s LYS 46 Cb -0.01 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 3mj5 s LYS 46 CO -0.03 0.63 2.12 -1.25 -0.92 0.00 0.00 175.35 175.89 3mj5 s PRO 47 N -1.73 3.00 0.22 -1.68 0.04 -1.26 -4.95 135.00 128.64 3mj5 s PRO 47 Ca 0.28 1.69 -0.31 0.00 0.04 0.00 0.00 61.00 62.70 3mj5 s PRO 47 Cb -0.14 -4.36 -0.11 0.00 0.04 0.00 0.00 34.50 29.93 3mj5 s PRO 47 CO 0.16 -2.26 1.62 -1.01 0.04 0.00 0.00 177.00 175.56 3mj5 s HIS 48 N 8.58 2.92 0.45 0.56 3.76 -1.26 -4.80 115.29 125.50 3mj5 s HIS 48 Ca 0.93 0.59 0.10 0.00 -0.15 0.00 0.00 55.06 56.53 3mj5 s HIS 48 Cb -0.27 -4.04 0.55 0.00 1.11 0.00 0.00 32.58 29.94 3mj5 s HIS 48 CO 0.32 -3.75 1.23 0.28 -0.85 0.00 0.00 174.74 171.97 3mj5 h VAL 49 N 3.74 0.00 -0.12 -0.90 2.07 -2.01 5.75 116.25 124.79 3mj5 h VAL 49 Ca -0.44 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 3mj5 h VAL 49 Cb 1.21 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3mj5 h VAL 49 CO 0.89 0.00 -0.40 -3.20 0.02 0.00 0.00 177.57 174.88 3mj5 n ASN 50 N -2.33 2.01 0.09 0.57 2.85 -1.26 -4.73 115.26 112.47 3mj5 n ASN 50 Ca -0.01 -3.88 -0.07 0.00 -0.11 0.00 0.00 54.58 50.52 3mj5 n ASN 50 Cb 0.65 -0.55 0.06 0.00 1.24 0.00 0.00 39.78 41.17 3mj5 n ASN 50 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 3mj5 h HIS 51 N 1.04 0.28 -2.26 1.20 3.86 1.15 -3.48 115.15 116.95 3mj5 h HIS 51 Ca 0.07 -0.13 -0.42 0.00 -1.16 0.00 0.00 60.37 58.73 3mj5 h HIS 51 Cb 1.18 -0.04 0.22 0.00 1.06 0.00 0.00 27.41 29.83 3mj5 h HIS 51 CO 0.84 0.87 -0.98 -0.85 0.86 0.00 0.00 177.93 178.67 3mj5 n GLU 52 N -3.76 -1.82 -0.75 2.45 0.28 -1.26 -3.00 120.64 112.77 3mj5 n GLU 52 Ca -0.03 -0.52 0.00 0.00 -0.16 0.00 0.00 57.16 56.45 3mj5 n GLU 52 Cb 0.71 -1.68 0.00 0.00 1.43 0.00 0.00 31.44 31.90 3mj5 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3mj5 n GLY 53 N 2.09 0.08 3.91 -1.84 0.00 -1.00 -4.95 105.19 103.47 3mj5 n GLY 53 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3mj5 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mj5 s LYS 54 N -1.30 3.57 -0.25 1.61 -0.14 -1.16 -4.89 119.74 117.17 3mj5 s LYS 54 Ca 0.00 -0.20 -0.10 0.00 -1.36 0.00 0.00 55.97 54.32 3mj5 s LYS 54 Cb 0.00 -2.88 -0.05 0.00 -1.68 0.00 0.00 37.83 33.23 3mj5 s LYS 54 CO 0.00 0.48 0.14 0.99 -0.76 0.00 0.00 175.35 176.20 3mj5 s THR 55 N -1.67 5.10 0.02 2.17 2.01 -1.26 -2.17 115.64 119.84 3mj5 s THR 55 Ca 0.40 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.52 3mj5 s THR 55 Cb -0.12 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 3mj5 s THR 55 CO 0.26 0.32 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.14 3mj5 s PHE 56 N 1.33 3.01 0.51 4.92 0.40 0.42 -4.77 117.98 123.81 3mj5 s PHE 56 Ca 0.07 0.03 -0.10 0.00 -0.60 0.00 0.00 56.93 56.32 3mj5 s PHE 56 Cb -0.15 -1.62 -0.05 0.00 0.51 0.00 0.00 43.02 41.71 3mj5 s PHE 56 CO 0.06 0.45 0.89 -0.06 0.70 0.00 0.00 175.22 177.26 3mj5 s PHE 57 N -1.13 3.55 0.15 0.36 0.40 -0.89 -0.37 117.98 120.05 3mj5 s PHE 57 Ca 0.21 1.12 -0.19 0.00 -0.60 0.00 0.00 56.93 57.46 3mj5 s PHE 57 Cb -0.11 -2.54 0.05 0.00 0.51 0.00 0.00 43.02 40.92 3mj5 s PHE 57 CO 0.12 -0.38 0.50 0.14 0.70 0.00 0.00 175.22 176.29 3mj5 s VAL 58 N -2.78 0.04 0.29 -0.44 -7.23 -1.07 -2.49 120.40 106.72 3mj5 s VAL 58 Ca 0.52 -0.41 -0.29 0.00 -1.81 0.00 0.00 61.98 59.99 3mj5 s VAL 58 Cb -0.10 -1.19 -0.09 0.00 0.56 0.00 0.00 36.38 35.55 3mj5 s VAL 58 CO 0.43 -0.16 1.07 -0.76 -0.31 0.00 0.00 175.10 175.36 3mj5 s LEU 59 N -2.80 4.50 -0.91 1.32 1.02 -1.21 -4.72 118.68 115.88 3mj5 s LEU 59 Ca 0.03 2.19 -0.26 0.00 0.02 0.00 0.00 54.13 56.11 3mj5 s LEU 59 Cb 0.00 -3.71 -0.16 0.00 0.02 0.00 0.00 46.19 42.34 3mj5 s LEU 59 CO -0.10 -0.15 2.26 -2.84 0.02 0.00 0.00 176.35 175.54 3mj5 s PRO 60 N -1.58 1.56 0.00 1.29 0.02 -1.26 -4.75 135.00 130.28 3mj5 s PRO 60 Ca 0.46 0.07 0.14 0.00 0.02 0.00 0.00 61.00 61.69 3mj5 s PRO 60 Cb -0.29 -4.89 0.44 0.00 0.02 0.00 0.00 34.50 29.78 3mj5 s PRO 60 CO 0.38 -4.71 1.35 -1.13 -0.33 0.00 0.00 177.00 172.56 3mj5 n SER 61 N 18.53 1.97 -3.72 2.53 3.41 -1.26 -4.50 113.62 130.57 3mj5 n SER 61 Ca 0.44 -1.92 -0.09 0.00 -0.26 0.00 0.00 58.87 57.04 3mj5 n SER 61 Cb 0.45 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 3mj5 n SER 61 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3mj5 s ASP 62 N -1.15 -0.34 0.15 4.04 1.47 -1.26 -5.04 116.67 114.53 3mj5 s ASP 62 Ca 0.27 -0.43 -0.28 0.00 1.18 0.00 0.00 52.55 53.29 3mj5 s ASP 62 Cb 0.14 0.65 -0.06 0.00 -0.34 0.00 0.00 42.92 43.32 3mj5 s ASP 62 CO 0.20 -1.17 1.42 0.47 0.68 0.00 0.00 175.17 176.76 3mj5 n ASP 63 N -0.41 -0.97 -0.19 2.11 9.92 -1.26 -0.75 116.55 125.00 3mj5 n ASP 63 Ca -0.09 1.64 -0.07 0.00 -0.53 0.00 0.00 54.79 55.74 3mj5 n ASP 63 Cb 0.62 -0.21 0.03 0.00 -0.64 0.00 0.00 41.12 40.91 3mj5 n ASP 63 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3mj5 h THR 64 N 0.00 1.16 0.79 -3.53 2.02 -1.98 0.40 112.91 111.77 3mj5 h THR 64 Ca 0.15 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 3mj5 h THR 64 Cb 0.38 0.41 0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3mj5 h THR 64 CO -0.87 0.16 -0.38 -0.07 0.37 0.00 0.00 175.52 174.74 3mj5 h LEU 65 N 0.74 -0.89 -0.86 2.58 3.38 -1.83 0.16 115.31 118.59 3mj5 h LEU 65 Ca 0.20 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.39 3mj5 h LEU 65 Cb -0.02 0.23 -0.12 0.00 0.09 0.00 0.00 40.66 40.84 3mj5 h LEU 65 CO -0.04 -0.63 0.36 0.03 0.09 0.00 0.00 178.44 178.25 3mj5 h ARG 66 N -1.07 0.40 -0.14 1.13 3.08 -0.40 0.41 114.38 117.80 3mj5 h ARG 66 Ca -0.11 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 3mj5 h ARG 66 Cb 0.81 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3mj5 h ARG 66 CO 0.18 0.27 -0.24 1.03 -1.07 0.00 0.00 179.97 180.14 3mj5 h SER 67 N 0.42 0.24 0.13 7.04 0.87 -0.06 -2.36 113.55 119.83 3mj5 h SER 67 Ca 0.51 -0.07 -0.19 0.00 -1.23 0.00 0.00 61.79 60.82 3mj5 h SER 67 Cb 0.91 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.81 3mj5 h SER 67 CO -0.49 0.48 -0.70 -0.33 -0.53 0.00 0.00 176.83 175.26 3mj5 h GLU 68 N 0.22 0.52 -0.17 2.24 5.08 0.19 -2.89 114.58 119.76 3mj5 h GLU 68 Ca 0.04 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 3mj5 h GLU 68 Cb 0.55 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3mj5 h GLU 68 CO 0.04 1.03 -0.00 0.00 -1.00 0.00 0.00 179.01 179.07 3mj5 h ALA 69 N 0.86 0.23 -0.37 3.43 0.00 -1.00 -1.96 119.26 120.46 3mj5 h ALA 69 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3mj5 h ALA 69 Cb 1.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3mj5 h ALA 69 CO 0.13 -0.06 0.23 0.35 0.00 0.00 0.00 179.25 179.90 3mj5 h PHE 70 N 0.05 0.47 -0.92 0.00 3.57 -1.45 0.67 116.94 119.34 3mj5 h PHE 70 Ca 0.05 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.62 3mj5 h PHE 70 Cb 0.39 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 38.91 3mj5 h PHE 70 CO 0.04 0.32 0.58 1.49 -2.23 0.00 0.00 178.31 178.51 3mj5 h GLU 71 N 0.49 1.01 0.10 1.11 4.57 -1.47 0.96 114.58 121.35 3mj5 h GLU 71 Ca 0.13 -0.06 -0.19 0.00 -1.18 0.00 0.00 59.36 58.06 3mj5 h GLU 71 Cb -0.02 -0.23 0.01 0.00 -0.16 0.00 0.00 28.75 28.35 3mj5 h GLU 71 CO -0.03 0.67 -0.92 -0.92 -1.18 0.00 0.00 179.01 176.63 3mj5 h TYR 72 N 1.04 0.39 0.00 0.92 3.20 -0.66 -3.41 116.97 118.45 3mj5 h TYR 72 Ca 0.41 -0.29 -0.24 0.00 3.14 0.00 0.00 58.73 61.75 3mj5 h TYR 72 Cb 0.21 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 3mj5 h TYR 72 CO -0.02 1.36 -2.15 0.66 -1.64 0.00 0.00 178.16 176.36 3mj5 n TYR 73 N -4.15 0.13 -2.48 -3.82 4.01 0.23 -2.03 117.16 109.05 3mj5 n TYR 73 Ca -0.18 0.04 -0.09 0.00 -0.16 0.00 0.00 57.90 57.51 3mj5 n TYR 73 Cb 0.79 -0.87 0.01 0.00 -0.31 0.00 0.00 39.34 38.96 3mj5 n TYR 73 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3mj5 n HIS 74 N -2.63 -0.70 -4.04 -0.72 8.25 0.33 -4.88 115.22 110.83 3mj5 n HIS 74 Ca -0.21 0.17 -0.12 0.00 -0.26 0.00 0.00 57.72 57.29 3mj5 n HIS 74 Cb 0.95 -2.36 -0.12 0.00 1.12 0.00 0.00 29.99 29.59 3mj5 n HIS 74 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3mj5 s THR 75 N -2.71 0.41 -1.04 1.59 -1.32 -1.26 -5.03 115.64 106.30 3mj5 s THR 75 Ca 0.10 -0.96 0.09 0.00 -1.21 0.00 0.00 61.69 59.71 3mj5 s THR 75 Cb -0.04 -0.49 0.15 0.00 -1.51 0.00 0.00 72.50 70.61 3mj5 s THR 75 CO 0.12 -0.37 0.97 0.18 -2.21 0.00 0.00 174.62 173.31 3mj5 n LEU 76 N 1.63 2.21 -4.66 9.08 4.77 -1.26 -4.35 117.00 124.42 3mj5 n LEU 76 Ca -0.22 -1.41 -0.43 0.00 -0.03 0.00 0.00 56.01 53.92 3mj5 n LEU 76 Cb 0.55 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 3mj5 n LEU 76 CO 0.21 0.49 1.26 -0.62 -1.33 0.00 0.00 177.39 177.40 3mj5 s ASP 77 N -0.88 6.74 0.16 -1.43 -1.08 -1.26 -4.86 116.67 114.06 3mj5 s ASP 77 Ca 0.15 1.94 0.20 0.00 -0.52 0.00 0.00 52.55 54.32 3mj5 s ASP 77 Cb 0.09 -2.54 0.85 0.00 -1.46 0.00 0.00 42.92 39.87 3mj5 s ASP 77 CO 0.13 -0.90 1.63 -1.84 0.52 0.00 0.00 175.17 174.70 3mj5 n GLU 78 N 7.00 0.12 -0.00 4.34 0.00 -1.26 -2.06 120.64 128.78 3mj5 n GLU 78 Ca 0.16 0.35 0.10 0.00 0.00 0.00 0.00 57.16 57.78 3mj5 n GLU 78 Cb 0.44 -1.73 -0.11 0.00 0.00 0.00 0.00 31.44 30.03 3mj5 n GLU 78 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3mj5 n SER 79 N -1.97 0.74 0.16 -1.84 3.41 -1.26 -4.60 113.62 108.27 3mj5 n SER 79 Ca 0.03 -0.72 -0.14 0.00 -0.26 0.00 0.00 58.87 57.78 3mj5 n SER 79 Cb 0.21 1.20 -0.07 0.00 -0.26 0.00 0.00 64.21 65.29 3mj5 n SER 79 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3mj5 h PHE 80 N 0.00 -0.77 -0.82 7.33 3.04 -1.81 -0.62 116.94 123.29 3mj5 h PHE 80 Ca 0.00 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.01 3mj5 h PHE 80 Cb 0.62 0.31 -0.06 0.00 2.56 0.00 0.00 35.95 39.39 3mj5 h PHE 80 CO 0.00 -0.41 0.51 1.25 -2.02 0.00 0.00 178.31 177.64 3mj5 h LEU 81 N -0.57 0.81 -1.28 0.59 5.85 -1.81 0.26 115.31 119.16 3mj5 h LEU 81 Ca 0.01 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 3mj5 h LEU 81 Cb 0.55 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3mj5 h LEU 81 CO -0.10 0.53 -0.13 1.23 -0.34 0.00 0.00 178.44 179.63 3mj5 h GLY 82 N 0.95 0.36 1.26 3.75 0.00 -1.76 -2.35 103.07 105.28 3mj5 h GLY 82 Ca 0.35 -0.23 -0.26 0.00 0.00 0.00 0.00 47.33 47.19 3mj5 h GLY 82 CO -0.16 0.21 -1.03 3.21 0.00 0.00 0.00 176.54 178.77 3mj5 h ARG 83 N 0.31 0.66 -0.23 4.80 3.08 0.52 -2.84 114.38 120.68 3mj5 h ARG 83 Ca 0.06 -0.71 0.05 0.00 0.07 0.00 0.00 59.98 59.45 3mj5 h ARG 83 Cb 0.42 0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.63 3mj5 h ARG 83 CO 0.02 1.30 -0.07 -0.92 -1.07 0.00 0.00 179.97 179.23 3mj5 h TYR 84 N 0.37 -0.15 -0.87 3.04 3.20 -0.49 -1.86 116.97 120.21 3mj5 h TYR 84 Ca -0.12 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.79 3mj5 h TYR 84 Cb 1.68 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 40.01 3mj5 h TYR 84 CO 0.10 -0.11 0.58 0.52 -1.64 0.00 0.00 178.16 177.60 3mj5 h MET 85 N -0.01 1.11 -0.63 1.82 2.86 -1.43 -0.23 114.93 118.42 3mj5 h MET 85 Ca 0.11 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3mj5 h MET 85 Cb 0.19 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 3mj5 h MET 85 CO -0.25 0.73 0.30 0.77 1.06 0.00 0.00 176.91 179.52 3mj5 h SER 86 N 1.14 0.83 -0.10 1.22 0.02 -1.11 -1.21 113.55 114.35 3mj5 h SER 86 Ca 0.33 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3mj5 h SER 86 Cb -0.07 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.26 3mj5 h SER 86 CO -0.08 0.73 -0.01 0.00 -1.14 0.00 0.00 176.83 176.33 3mj5 h ALA 87 N 1.13 0.13 -0.72 3.77 0.00 -0.76 -3.09 119.26 119.72 3mj5 h ALA 87 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3mj5 h ALA 87 Cb 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3mj5 h ALA 87 CO -0.03 -0.17 0.46 1.25 0.00 0.00 0.00 179.25 180.77 3mj5 h LEU 88 N -0.12 0.83 -1.51 0.00 5.85 -0.92 0.33 115.31 119.77 3mj5 h LEU 88 Ca 0.03 -0.03 0.23 0.00 0.84 0.00 0.00 57.88 58.95 3mj5 h LEU 88 Cb 0.38 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 3mj5 h LEU 88 CO 0.01 0.62 0.64 -1.13 -0.34 0.00 0.00 178.44 178.23 3mj5 h ASN 89 N 0.98 0.38 0.06 1.25 -1.24 -1.14 -2.49 115.58 113.39 3mj5 h ASN 89 Ca 0.26 0.05 -0.37 0.00 0.71 0.00 0.00 56.30 56.95 3mj5 h ASN 89 Cb -0.09 -0.02 -0.06 0.00 0.73 0.00 0.00 38.32 38.88 3mj5 h ASN 89 CO -0.05 0.12 -2.32 1.41 -1.29 0.00 0.00 177.43 175.30 3mj5 n HIS 90 N -4.52 0.30 0.30 0.67 8.25 0.85 -4.42 115.22 116.66 3mj5 n HIS 90 Ca 0.22 0.08 0.19 0.00 -0.26 0.00 0.00 57.72 57.94 3mj5 n HIS 90 Cb 0.80 -1.04 0.87 0.00 1.12 0.00 0.00 29.99 31.74 3mj5 n HIS 90 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3mj5 h THR 91 N 0.01 0.00 0.00 1.59 1.35 -0.45 -1.09 112.91 114.32 3mj5 h THR 91 Ca -0.52 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 3mj5 h THR 91 Cb 2.01 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 3mj5 h THR 91 CO -0.02 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 177.54 3mj5 n LYS 92 N -3.00 0.40 0.00 4.72 2.85 -0.96 -1.77 118.16 120.40 3mj5 n LYS 92 Ca -0.01 0.03 0.12 0.00 -1.05 0.00 0.00 58.31 57.40 3mj5 n LYS 92 Cb 0.20 -1.50 0.19 0.00 -0.65 0.00 0.00 35.03 33.28 3mj5 n LYS 92 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3mj5 n LYS 93 N -1.28 0.88 -2.41 -1.58 4.76 -0.41 -4.96 118.16 113.17 3mj5 n LYS 93 Ca 0.13 -0.63 -0.30 0.00 -2.87 0.00 0.00 58.31 54.64 3mj5 n LYS 93 Cb 0.21 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.91 3mj5 n LYS 93 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3mj5 s TRP 94 N -2.55 3.55 -0.11 2.13 0.51 -0.73 -5.08 118.94 116.65 3mj5 s TRP 94 Ca 0.20 1.10 -0.04 0.00 -2.12 0.00 0.00 56.10 55.24 3mj5 s TRP 94 Cb 0.18 -2.53 -0.04 0.00 -0.81 0.00 0.00 33.47 30.28 3mj5 s TRP 94 CO 0.57 -0.38 0.05 0.15 -0.51 0.00 0.00 176.95 176.83 3mj5 s LYS 95 N -4.59 3.32 -0.65 4.98 -0.14 -1.26 -5.01 119.74 116.39 3mj5 s LYS 95 Ca 0.52 -0.31 0.05 0.00 -1.36 0.00 0.00 55.97 54.87 3mj5 s LYS 95 Cb -0.10 -2.99 0.19 0.00 -1.68 0.00 0.00 37.83 33.25 3mj5 s LYS 95 CO 0.43 0.64 0.55 1.19 -0.76 0.00 0.00 175.35 177.40 3mj5 n PHE 96 N 2.37 2.78 -2.24 3.18 3.72 -1.26 -1.88 117.46 124.13 3mj5 n PHE 96 Ca -0.19 -4.14 -0.32 0.00 -0.05 0.00 0.00 57.45 52.75 3mj5 n PHE 96 Cb 0.54 -0.51 -0.01 0.00 -0.94 0.00 0.00 39.48 38.56 3mj5 n PHE 96 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3mj5 s PRO 97 N -1.57 3.66 -0.05 -1.08 0.04 -1.24 -4.65 135.00 130.11 3mj5 s PRO 97 Ca 0.30 1.08 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 3mj5 s PRO 97 Cb 0.03 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 3mj5 s PRO 97 CO -0.13 -0.52 0.94 -0.65 0.04 0.00 0.00 177.00 176.67 3mj5 s GLN 98 N -4.06 4.49 -0.05 4.56 -1.52 -1.26 -1.73 119.66 120.09 3mj5 s GLN 98 Ca 0.61 1.31 0.01 0.00 -1.95 0.00 0.00 55.36 55.33 3mj5 s GLN 98 Cb -0.13 -3.49 0.02 0.00 -0.22 0.00 0.00 33.01 29.20 3mj5 s GLN 98 CO 0.34 -0.13 -0.04 0.08 -0.25 0.00 0.00 175.29 175.29 3mj5 s VAL 99 N 1.34 0.50 -1.53 1.09 1.01 0.16 -4.75 120.40 118.21 3mj5 s VAL 99 Ca 0.48 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 3mj5 s VAL 99 Cb -0.19 -0.56 0.14 0.00 0.00 0.00 0.00 36.38 35.77 3mj5 s VAL 99 CO 0.23 0.23 0.66 0.61 0.00 0.00 0.00 175.10 176.83 3mj5 n GLY 100 N 4.26 -0.46 2.25 4.51 0.00 -1.26 -1.29 105.19 113.19 3mj5 n GLY 100 Ca -0.22 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 3mj5 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mj5 n GLY 101 N -1.26 -0.15 3.10 -0.02 0.00 -1.26 -5.01 105.19 100.59 3mj5 n GLY 101 Ca 0.06 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 3mj5 n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mj5 s LEU 102 N -3.70 2.40 0.10 0.99 1.43 -0.41 -5.13 118.68 114.36 3mj5 s LEU 102 Ca 0.00 -0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 51.99 3mj5 s LEU 102 Cb 0.00 -0.01 -0.06 0.00 0.03 0.00 0.00 46.19 46.15 3mj5 s LEU 102 CO 0.00 -0.40 1.14 -0.89 0.23 0.00 0.00 176.35 176.42 3mj5 s THR 103 N -2.79 4.05 0.28 5.49 2.01 -1.26 -0.67 115.64 122.75 3mj5 s THR 103 Ca 0.01 1.58 0.03 0.00 0.31 0.00 0.00 61.69 63.62 3mj5 s THR 103 Cb -0.00 -4.01 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 3mj5 s THR 103 CO -0.04 0.18 0.10 -0.24 -0.69 0.00 0.00 174.62 173.93 3mj5 n SER 104 N 3.28 1.15 -3.98 3.53 2.88 -0.71 -4.53 113.62 115.24 3mj5 n SER 104 Ca 0.06 -2.50 -0.27 0.00 -1.33 0.00 0.00 58.87 54.83 3mj5 n SER 104 Cb 0.47 0.71 -0.17 0.00 -0.75 0.00 0.00 64.21 64.47 3mj5 n SER 104 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3mj5 s ILE 105 N -2.60 1.24 0.39 2.46 1.01 -1.26 -3.59 121.20 118.85 3mj5 s ILE 105 Ca 0.14 -0.46 -0.28 0.00 0.00 0.00 0.00 60.65 60.05 3mj5 s ILE 105 Cb 0.01 -1.18 -0.11 0.00 0.01 0.00 0.00 42.46 41.19 3mj5 s ILE 105 CO 0.10 0.40 1.49 1.17 0.00 0.00 0.00 174.94 178.10 3mj5 n LYS 106 N 4.51 2.64 -1.87 2.79 4.81 -0.79 -3.87 118.16 126.38 3mj5 n LYS 106 Ca -0.17 0.93 -0.41 0.00 -0.87 0.00 0.00 58.31 57.79 3mj5 n LYS 106 Cb 0.51 -2.68 -0.01 0.00 0.02 0.00 0.00 35.03 32.87 3mj5 n LYS 106 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 3mj5 s TRP 107 N -1.13 2.74 -0.29 5.64 -0.00 -1.26 -4.72 118.94 119.91 3mj5 s TRP 107 Ca 0.54 1.13 -0.24 0.00 -0.00 0.00 0.00 56.10 57.53 3mj5 s TRP 107 Cb -0.47 -3.95 0.16 0.00 -0.00 0.00 0.00 33.47 29.21 3mj5 s TRP 107 CO 0.63 -2.86 1.25 0.00 -0.00 0.00 0.00 176.95 175.97 3mj5 s ALA 108 N -0.84 -2.14 -1.55 5.86 0.00 -1.26 -5.02 121.76 116.81 3mj5 s ALA 108 Ca 0.54 1.79 -0.12 0.00 0.00 0.00 0.00 51.96 54.18 3mj5 s ALA 108 Cb -0.45 -1.65 0.09 0.00 0.00 0.00 0.00 23.12 21.11 3mj5 s ALA 108 CO 0.57 -0.17 0.78 -0.25 0.00 0.00 0.00 175.76 176.69 3mj5 n ASP 109 N 1.97 -3.08 -3.28 0.00 8.00 -1.26 -0.39 116.55 118.50 3mj5 n ASP 109 Ca -0.12 -0.91 -0.24 0.00 0.71 0.00 0.00 54.79 54.24 3mj5 n ASP 109 Cb 0.56 -3.34 0.03 0.00 -0.02 0.00 0.00 41.12 38.35 3mj5 n ASP 109 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3mj5 n ASN 110 N -2.82 -5.28 -1.11 -2.24 3.02 -1.26 -2.83 115.26 102.74 3mj5 n ASN 110 Ca -0.04 -0.40 0.08 0.00 -0.03 0.00 0.00 54.58 54.19 3mj5 n ASN 110 Cb 0.56 -4.27 0.25 0.00 -0.61 0.00 0.00 39.78 35.71 3mj5 n ASN 110 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3mj5 n ASN 111 N -2.54 3.24 -0.19 6.41 0.23 0.47 -4.32 115.26 118.56 3mj5 n ASN 111 Ca -0.05 -2.13 0.07 0.00 -0.53 0.00 0.00 54.58 51.94 3mj5 n ASN 111 Cb 0.58 -0.42 0.36 0.00 -2.08 0.00 0.00 39.78 38.22 3mj5 n ASN 111 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3mj5 h TYR 113 N 0.75 1.16 -0.50 0.00 -0.00 -1.85 -2.40 116.97 114.13 3mj5 h TYR 113 Ca 0.32 -0.21 -0.07 0.00 -0.00 0.00 0.00 58.73 58.77 3mj5 h TYR 113 Cb 0.29 -0.30 -0.02 0.00 -0.00 0.00 0.00 36.73 36.69 3mj5 h TYR 113 CO -0.00 1.03 0.03 -0.07 -0.00 0.00 0.00 178.16 179.15 3mj5 h LEU 114 N 0.96 0.77 -0.39 0.10 3.38 -1.56 -1.45 115.31 117.12 3mj5 h LEU 114 Ca 0.17 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3mj5 h LEU 114 Cb 0.58 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 3mj5 h LEU 114 CO 0.03 0.81 -0.19 -1.28 0.09 0.00 0.00 178.44 177.91 3mj5 h SER 115 N 0.76 -0.65 -0.47 -0.43 0.87 -0.88 0.11 113.55 112.85 3mj5 h SER 115 Ca 0.15 0.15 -0.09 0.00 -1.23 0.00 0.00 61.79 60.78 3mj5 h SER 115 Cb 0.41 0.35 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 3mj5 h SER 115 CO 0.01 -0.22 -0.04 0.28 -0.53 0.00 0.00 176.83 176.33 3mj5 h SER 116 N -0.12 0.85 -0.13 6.23 0.02 -0.87 0.22 113.55 119.76 3mj5 h SER 116 Ca 0.19 -0.33 0.03 0.00 -0.84 0.00 0.00 61.79 60.84 3mj5 h SER 116 Cb 0.42 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3mj5 h SER 116 CO -0.47 0.97 -0.05 0.58 -1.14 0.00 0.00 176.83 176.72 3mj5 h VAL 117 N 0.70 0.82 -0.55 2.27 2.07 -1.09 0.63 116.25 121.10 3mj5 h VAL 117 Ca 0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 3mj5 h VAL 117 Cb 0.56 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3mj5 h VAL 117 CO 0.03 0.00 0.25 0.25 0.02 0.00 0.00 177.57 178.12 3mj5 h LEU 118 N -0.03 0.70 -0.07 2.57 5.85 -0.06 0.50 115.31 124.77 3mj5 h LEU 118 Ca 0.07 -0.07 -0.24 0.00 0.84 0.00 0.00 57.88 58.48 3mj5 h LEU 118 Cb 0.14 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 3mj5 h LEU 118 CO -0.15 0.61 -1.05 -0.07 -0.34 0.00 0.00 178.44 177.44 3mj5 h LEU 119 N 0.78 0.39 -0.30 2.25 3.38 -0.15 -3.09 115.31 118.55 3mj5 h LEU 119 Ca 0.19 -0.36 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3mj5 h LEU 119 Cb 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3mj5 h LEU 119 CO -0.02 1.21 -0.22 0.00 0.09 0.00 0.00 178.44 179.50 3mj5 h ALA 120 N 0.75 0.43 -0.84 1.53 0.00 -0.34 -3.13 119.26 117.65 3mj5 h ALA 120 Ca -0.09 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.51 3mj5 h ALA 120 Cb 1.73 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.37 3mj5 h ALA 120 CO 0.17 0.39 0.52 -0.07 0.00 0.00 0.00 179.25 180.26 3mj5 h LEU 121 N 0.42 0.83 -1.31 0.00 3.38 -0.96 -1.65 115.31 116.02 3mj5 h LEU 121 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3mj5 h LEU 121 Cb 0.77 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3mj5 h LEU 121 CO 0.06 0.54 0.00 0.00 0.09 0.00 0.00 178.44 179.13 3mj5 n GLN 122 N -4.62 0.16 -0.06 1.13 6.02 -1.17 -1.15 117.38 117.69 3mj5 n GLN 122 Ca 0.12 0.59 0.09 0.00 -0.01 0.00 0.00 57.00 57.79 3mj5 n GLN 122 Cb 0.16 -1.96 0.11 0.00 1.02 0.00 0.00 30.24 29.57 3mj5 n GLN 122 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3mj5 n GLN 123 N -2.29 1.73 -4.95 -1.09 6.02 -0.63 -4.94 117.38 111.23 3mj5 n GLN 123 Ca -0.01 -1.72 -0.32 0.00 -0.01 0.00 0.00 57.00 54.94 3mj5 n GLN 123 Cb 0.09 -1.36 -0.14 0.00 1.02 0.00 0.00 30.24 29.85 3mj5 n GLN 123 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3mj5 s LEU 124 N -1.37 2.62 -0.97 1.08 1.43 -0.30 -5.04 118.68 116.12 3mj5 s LEU 124 Ca 0.24 -0.25 -0.24 0.00 -1.03 0.00 0.00 54.13 52.86 3mj5 s LEU 124 Cb 0.16 -1.52 0.05 0.00 0.03 0.00 0.00 46.19 44.90 3mj5 s LEU 124 CO 0.23 0.34 1.43 -1.61 0.23 0.00 0.00 176.35 176.96 3mj5 s GLU 125 N -0.74 3.52 0.04 1.70 2.02 -1.26 -4.91 118.70 119.08 3mj5 s GLU 125 Ca 0.11 -0.97 0.02 0.00 0.02 0.00 0.00 54.97 54.15 3mj5 s GLU 125 Cb -0.10 -5.17 -0.02 0.00 0.10 0.00 0.00 34.13 28.93 3mj5 s GLU 125 CO 0.00 -2.21 -0.07 0.54 0.02 0.00 0.00 175.26 173.54 3mj5 s VAL 126 N 5.14 0.50 0.09 2.63 0.11 -1.26 -4.83 120.40 122.79 3mj5 s VAL 126 Ca 0.44 -1.12 0.06 0.00 -2.93 0.00 0.00 61.98 58.43 3mj5 s VAL 126 Cb -0.01 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 3mj5 s VAL 126 CO -0.06 -0.43 -0.16 -0.54 -3.33 0.00 0.00 175.10 170.58 3mj5 s LYS 127 N -1.73 0.94 0.00 1.54 1.02 -1.26 -5.03 119.74 115.23 3mj5 s LYS 127 Ca -0.09 -1.07 -0.01 0.00 0.02 0.00 0.00 55.97 54.82 3mj5 s LYS 127 Cb -0.09 -0.99 -0.04 0.00 -0.52 0.00 0.00 37.83 36.19 3mj5 s LYS 127 CO -0.00 0.22 0.13 -0.06 -0.92 0.00 0.00 175.35 174.71 3mj5 s PHE 128 N -1.43 3.39 0.11 3.18 0.08 -1.26 -0.37 117.98 121.68 3mj5 s PHE 128 Ca 0.02 0.25 -0.05 0.00 0.12 0.00 0.00 56.93 57.28 3mj5 s PHE 128 Cb -0.09 -1.76 -0.16 0.00 -0.57 0.00 0.00 43.02 40.44 3mj5 s PHE 128 CO 0.03 0.59 1.25 -0.91 -0.10 0.00 0.00 175.22 176.07 3mj5 h ASN 129 N 3.86 0.50 -3.01 1.36 2.35 -1.66 -3.42 115.58 115.57 3mj5 h ASN 129 Ca -0.49 -0.45 -0.57 0.00 -0.55 0.00 0.00 56.30 54.24 3mj5 h ASN 129 Cb 1.18 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 39.34 3mj5 h ASN 129 CO 0.66 1.27 0.85 0.00 -1.65 0.00 0.00 177.43 178.56 3mj5 s ALA 130 N -3.06 3.67 0.39 -0.83 0.00 -1.26 -4.91 121.76 115.76 3mj5 s ALA 130 Ca -0.05 0.29 0.17 0.00 0.00 0.00 0.00 51.96 52.37 3mj5 s ALA 130 Cb 0.08 -3.58 1.08 0.00 0.00 0.00 0.00 23.12 20.70 3mj5 s ALA 130 CO 0.87 -1.11 1.76 -1.35 0.00 0.00 0.00 175.76 175.93 3mj5 h PRO 131 N 7.79 0.40 -0.32 0.00 0.11 -1.77 0.89 132.00 139.10 3mj5 h PRO 131 Ca -0.22 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.88 3mj5 h PRO 131 Cb 1.08 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3mj5 h PRO 131 CO 0.98 0.27 0.18 0.00 -0.21 0.00 0.00 178.00 179.22 3mj5 h ALA 132 N 1.63 0.40 -0.11 -0.75 0.00 -1.76 -1.11 119.26 117.57 3mj5 h ALA 132 Ca 0.60 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.51 3mj5 h ALA 132 Cb 1.48 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3mj5 h ALA 132 CO -0.32 -0.18 0.05 -0.07 0.00 0.00 0.00 179.25 178.73 3mj5 h LEU 133 N 0.38 0.14 0.22 0.00 3.38 -1.18 -1.76 115.31 116.48 3mj5 h LEU 133 Ca 0.13 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mj5 h LEU 133 Cb 0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3mj5 h LEU 133 CO -0.07 0.23 -0.35 1.56 0.09 0.00 0.00 178.44 179.90 3mj5 h GLN 134 N 0.04 -0.58 -0.49 1.13 4.20 -0.82 0.17 115.11 118.76 3mj5 h GLN 134 Ca 0.04 0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.85 3mj5 h GLN 134 Cb 0.12 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 3mj5 h GLN 134 CO -0.00 -0.38 0.18 0.93 -0.67 0.00 0.00 178.83 178.88 3mj5 h GLU 135 N -0.60 0.34 -0.05 1.46 5.08 -1.27 0.81 114.58 120.35 3mj5 h GLU 135 Ca -0.02 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 3mj5 h GLU 135 Cb 0.55 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3mj5 h GLU 135 CO -0.11 0.23 -0.33 0.00 -1.00 0.00 0.00 179.01 177.79 3mj5 h ALA 136 N 1.33 1.36 -0.09 3.43 0.00 -1.16 -1.07 119.26 123.06 3mj5 h ALA 136 Ca 0.24 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 3mj5 h ALA 136 Cb 0.25 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3mj5 h ALA 136 CO -0.24 0.46 -0.52 -0.92 0.00 0.00 0.00 179.25 178.03 3mj5 h TYR 137 N 0.08 0.69 -0.60 0.00 3.20 0.25 -0.66 116.97 119.93 3mj5 h TYR 137 Ca 0.01 -0.31 0.10 0.00 3.14 0.00 0.00 58.73 61.66 3mj5 h TYR 137 Cb 0.63 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.72 3mj5 h TYR 137 CO 0.00 1.09 0.20 -0.92 -1.64 0.00 0.00 178.16 176.90 3mj5 h TYR 138 N 0.09 0.35 0.00 -3.82 3.20 -0.48 0.07 116.97 116.38 3mj5 h TYR 138 Ca -0.04 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 3mj5 h TYR 138 Cb 1.17 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 3mj5 h TYR 138 CO 0.12 0.07 -0.34 0.00 -1.64 0.00 0.00 178.16 176.36 3mj5 h ARG 139 N 0.37 0.00 -0.04 1.82 3.08 -1.07 -3.07 114.38 115.46 3mj5 h ARG 139 Ca 0.31 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.12 3mj5 h ARG 139 Cb 0.40 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.47 3mj5 h ARG 139 CO -0.33 0.34 -0.92 0.00 -1.07 0.00 0.00 179.97 178.00 3mj5 h ALA 140 N 1.66 0.16 0.00 0.04 0.00 0.55 0.10 119.26 121.77 3mj5 h ALA 140 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3mj5 h ALA 140 Cb 0.71 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3mj5 h ALA 140 CO 0.04 0.63 0.00 0.54 0.00 0.00 0.00 179.25 180.47 3mj5 n ARG 141 N -3.93 0.00 -0.21 0.00 1.74 -0.19 -0.72 116.66 113.35 3mj5 n ARG 141 Ca -0.10 0.41 0.06 0.00 -0.77 0.00 0.00 57.85 57.45 3mj5 n ARG 141 Cb 0.82 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.92 3mj5 n ARG 141 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mj5 n ALA 142 N -1.50 2.31 -0.21 7.54 0.00 -1.01 -4.86 120.51 122.78 3mj5 n ALA 142 Ca 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.10 3mj5 n ALA 142 Cb 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3mj5 n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mj5 n GLY 143 N 0.26 0.67 3.09 0.00 0.00 0.11 -5.00 105.19 104.31 3mj5 n GLY 143 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3mj5 n GLY 143 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mj5 s ASP 144 N -2.90 5.71 0.00 1.61 2.15 0.32 -4.76 116.67 118.80 3mj5 s ASP 144 Ca 0.00 -3.52 0.17 0.00 0.43 0.00 0.00 52.55 49.63 3mj5 s ASP 144 Cb 0.00 -1.87 0.43 0.00 -0.30 0.00 0.00 42.92 41.18 3mj5 s ASP 144 CO 0.00 -0.22 1.35 0.00 -0.17 0.00 0.00 175.17 176.13 3mj5 n ALA 145 N 2.58 2.31 -0.06 3.66 0.00 -1.26 -3.49 120.51 124.25 3mj5 n ALA 145 Ca 0.18 -1.13 -0.08 0.00 0.00 0.00 0.00 53.44 52.41 3mj5 n ALA 145 Cb 0.37 -0.68 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 3mj5 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mj5 h ALA 146 N 3.28 0.25 -0.50 0.00 0.00 -1.91 -1.93 119.26 118.46 3mj5 h ALA 146 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3mj5 h ALA 146 Cb 0.85 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3mj5 h ALA 146 CO 0.00 -0.38 0.09 -0.91 0.00 0.00 0.00 179.25 178.05 3mj5 h ASN 147 N 0.12 0.78 -0.38 0.00 4.21 -1.92 -2.21 115.58 116.19 3mj5 h ASN 147 Ca 0.12 -0.25 0.01 0.00 1.21 0.00 0.00 56.30 57.39 3mj5 h ASN 147 Cb 0.13 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.10 3mj5 h ASN 147 CO -0.17 0.83 0.22 0.15 -1.29 0.00 0.00 177.43 177.18 3mj5 h PHE 148 N 0.69 0.42 -0.27 1.19 3.57 -1.70 -1.18 116.94 119.66 3mj5 h PHE 148 Ca 0.15 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.70 3mj5 h PHE 148 Cb 0.38 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 3mj5 h PHE 148 CO 0.03 0.25 0.05 0.00 -2.23 0.00 0.00 178.31 176.41 3mj5 h ALA 150 N 1.20 1.91 0.03 0.00 0.00 -0.73 0.20 119.26 121.87 3mj5 h ALA 150 Ca 0.12 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3mj5 h ALA 150 Cb 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3mj5 h ALA 150 CO -0.17 0.07 -0.61 -0.07 0.00 0.00 0.00 179.25 178.48 3mj5 h LEU 151 N 0.08 0.49 -0.68 0.00 3.38 -0.64 -0.62 115.31 117.32 3mj5 h LEU 151 Ca 0.02 -0.80 0.08 0.00 0.09 0.00 0.00 57.88 57.28 3mj5 h LEU 151 Cb 0.04 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 3mj5 h LEU 151 CO -0.00 1.23 0.35 0.40 0.09 0.00 0.00 178.44 180.51 3mj5 h ILE 152 N -0.19 0.88 0.17 1.22 2.04 -0.05 0.67 117.51 122.24 3mj5 h ILE 152 Ca -0.08 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.58 3mj5 h ILE 152 Cb 1.35 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3mj5 h ILE 152 CO 0.12 0.11 -0.20 -0.07 0.00 0.00 0.00 178.15 178.11 3mj5 h LEU 153 N 0.61 -0.55 -0.92 1.44 3.38 -0.89 -1.26 115.31 117.12 3mj5 h LEU 153 Ca 0.33 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 3mj5 h LEU 153 Cb 0.31 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3mj5 h LEU 153 CO -0.24 -0.29 0.46 0.00 0.09 0.00 0.00 178.44 178.46 3mj5 h ALA 154 N 0.34 1.17 -0.11 1.53 0.00 0.07 -1.82 119.26 120.45 3mj5 h ALA 154 Ca 0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3mj5 h ALA 154 Cb 0.41 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3mj5 h ALA 154 CO -0.07 0.66 -0.15 1.88 0.00 0.00 0.00 179.25 181.57 3mj5 h TYR 155 N 1.23 0.18 -0.57 0.00 0.05 0.53 -3.01 116.97 115.38 3mj5 h TYR 155 Ca 0.31 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.07 3mj5 h TYR 155 Cb 0.05 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3mj5 h TYR 155 CO 0.01 0.32 0.00 -1.13 -1.05 0.00 0.00 178.16 176.32 3mj5 n SER 156 N -4.28 4.12 -3.87 3.88 3.41 -0.50 -4.93 113.62 111.46 3mj5 n SER 156 Ca -0.01 -2.31 -0.26 0.00 -0.26 0.00 0.00 58.87 56.04 3mj5 n SER 156 Cb 0.27 -0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 63.73 3mj5 n SER 156 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mj5 n ASN 157 N 0.96 -1.19 -4.41 4.04 3.02 -0.74 -5.00 115.26 111.94 3mj5 n ASN 157 Ca 0.22 -0.98 -0.23 0.00 -0.03 0.00 0.00 54.58 53.57 3mj5 n ASN 157 Cb 0.73 -3.27 -0.11 0.00 -0.61 0.00 0.00 39.78 36.53 3mj5 n ASN 157 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mj5 s LYS 158 N -6.37 1.49 0.26 3.52 -0.14 -0.85 -5.05 119.74 112.61 3mj5 s LYS 158 Ca 0.07 -1.61 0.11 0.00 -1.36 0.00 0.00 55.97 53.18 3mj5 s LYS 158 Cb -0.03 -1.55 -0.05 0.00 -1.68 0.00 0.00 37.83 34.52 3mj5 s LYS 158 CO 0.87 0.30 -0.19 0.95 -0.76 0.00 0.00 175.35 176.52 3mj5 s THR 159 N -2.36 2.36 0.15 2.17 -4.23 -1.26 -4.42 115.64 108.05 3mj5 s THR 159 Ca 0.24 -2.35 -0.31 0.00 -1.18 0.00 0.00 61.69 58.08 3mj5 s THR 159 Cb -0.05 -2.25 -0.10 0.00 1.34 0.00 0.00 72.50 71.44 3mj5 s THR 159 CO 0.11 -0.41 1.69 -0.69 -0.54 0.00 0.00 174.62 174.78 3mj5 s VAL 160 N -2.51 2.51 0.00 2.29 1.01 -1.26 -2.47 120.40 119.97 3mj5 s VAL 160 Ca 0.28 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.50 3mj5 s VAL 160 Cb -0.05 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.18 3mj5 s VAL 160 CO 0.13 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3mj5 n GLY 161 N 3.98 2.13 3.77 4.51 0.00 -1.13 -5.08 105.19 113.38 3mj5 n GLY 161 Ca 0.16 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 3mj5 n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mj5 s GLU 162 N 0.00 3.77 0.32 1.61 2.02 -1.03 -4.33 118.70 121.06 3mj5 s GLU 162 Ca 0.00 1.72 -0.27 0.00 0.02 0.00 0.00 54.97 56.45 3mj5 s GLU 162 Cb 0.00 -2.38 -0.10 0.00 0.10 0.00 0.00 34.13 31.75 3mj5 s GLU 162 CO 0.00 -0.53 0.97 -1.17 0.02 0.00 0.00 175.26 174.55 3mj5 s LEU 163 N -3.06 4.37 0.13 1.80 2.96 -1.26 -4.78 118.68 118.84 3mj5 s LEU 163 Ca 0.64 1.90 0.03 0.00 -0.22 0.00 0.00 54.13 56.48 3mj5 s LEU 163 Cb -0.27 -3.96 -0.04 0.00 0.50 0.00 0.00 46.19 42.42 3mj5 s LEU 163 CO 0.33 -0.09 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.35 3mj5 s GLY 164 N -1.51 0.98 -0.23 7.98 0.00 -1.26 -5.11 107.32 108.17 3mj5 s GLY 164 Ca 0.49 -1.45 -0.12 0.00 0.00 0.00 0.00 44.72 43.65 3mj5 s GLY 164 CO 0.26 -1.55 0.22 -0.35 0.00 0.00 0.00 173.10 171.69 3mj5 s ASP 165 N -3.13 6.20 0.16 1.64 2.15 -1.26 -4.74 116.67 117.69 3mj5 s ASP 165 Ca 0.15 0.21 -0.15 0.00 0.43 0.00 0.00 52.55 53.20 3mj5 s ASP 165 Cb 0.04 -2.14 0.09 0.00 -0.30 0.00 0.00 42.92 40.61 3mj5 s ASP 165 CO -0.01 0.03 1.77 0.58 -0.17 0.00 0.00 175.17 177.37 3mj5 h VAL 166 N 5.03 0.94 0.60 1.11 2.07 -1.99 -1.23 116.25 122.78 3mj5 h VAL 166 Ca -0.37 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3mj5 h VAL 166 Cb 1.17 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3mj5 h VAL 166 CO 0.67 0.07 -0.38 -0.09 0.02 0.00 0.00 177.57 177.86 3mj5 h ARG 167 N 0.39 -0.90 -0.56 1.57 2.43 -1.98 0.90 114.38 116.23 3mj5 h ARG 167 Ca 0.19 0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.53 3mj5 h ARG 167 Cb 0.12 0.20 -0.10 0.00 -0.42 0.00 0.00 29.97 29.77 3mj5 h ARG 167 CO -0.15 -0.60 -0.05 0.93 -1.51 0.00 0.00 179.97 178.59 3mj5 h GLU 168 N -0.94 0.07 -0.71 0.20 5.08 -1.97 0.18 114.58 116.50 3mj5 h GLU 168 Ca -0.07 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.36 3mj5 h GLU 168 Cb 0.76 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 3mj5 h GLU 168 CO 0.07 0.04 0.46 1.15 -1.00 0.00 0.00 179.01 179.74 3mj5 h THR 169 N 0.07 0.97 -0.07 1.13 2.02 -0.95 -1.04 112.91 115.05 3mj5 h THR 169 Ca 0.28 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 67.13 3mj5 h THR 169 Cb 0.44 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3mj5 h THR 169 CO -0.51 0.12 -0.41 0.24 0.37 0.00 0.00 175.52 175.32 3mj5 h MET 170 N 0.66 0.16 -0.47 6.66 2.86 0.19 -2.24 114.93 122.76 3mj5 h MET 170 Ca 0.31 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.84 3mj5 h MET 170 Cb 0.36 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3mj5 h MET 170 CO -0.11 0.55 0.14 1.15 1.06 0.00 0.00 176.91 179.70 3mj5 h THR 171 N 0.13 1.23 -0.14 2.22 2.02 0.18 0.18 112.91 118.73 3mj5 h THR 171 Ca 0.01 -0.77 -0.09 0.00 0.77 0.00 0.00 66.41 66.33 3mj5 h THR 171 Cb 0.79 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 3mj5 h THR 171 CO 0.06 0.28 -0.25 0.45 0.37 0.00 0.00 175.52 176.43 3mj5 h HIS 172 N 0.62 0.52 0.16 3.16 3.86 -1.28 -3.09 115.15 119.10 3mj5 h HIS 172 Ca 0.15 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3mj5 h HIS 172 Cb 0.28 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 3mj5 h HIS 172 CO 0.02 0.87 -0.09 -0.07 0.86 0.00 0.00 177.93 179.51 3mj5 h LEU 173 N 0.02 -0.23 -1.48 2.43 3.38 -1.21 -2.42 115.31 115.81 3mj5 h LEU 173 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3mj5 h LEU 173 Cb 0.83 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3mj5 h LEU 173 CO 0.06 -0.15 0.00 -0.07 0.09 0.00 0.00 178.44 178.36 3mj5 h LEU 174 N -0.24 0.00 -1.94 1.67 3.38 -0.73 0.95 115.31 118.40 3mj5 h LEU 174 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3mj5 h LEU 174 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3mj5 h LEU 174 CO 0.02 0.00 -0.10 1.56 0.09 0.00 0.00 178.44 180.01 3mj5 h GLN 175 N 0.00 0.00 -0.56 1.13 4.20 -1.34 -2.59 115.11 115.95 3mj5 h GLN 175 Ca 0.00 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.43 3mj5 h GLN 175 Cb 0.10 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 27.71 3mj5 h GLN 175 CO 0.00 0.10 0.15 0.72 -0.67 0.00 0.00 178.83 179.13 3mj5 n HIS 176 N -4.10 1.72 -4.19 2.96 8.25 0.33 -4.97 115.22 115.21 3mj5 n HIS 176 Ca -0.03 -1.66 -0.28 0.00 -0.26 0.00 0.00 57.72 55.49 3mj5 n HIS 176 Cb 0.18 -0.63 -0.08 0.00 1.12 0.00 0.00 29.99 30.57 3mj5 n HIS 176 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mj5 s ALA 177 N -3.25 3.16 -0.84 -1.41 0.00 -0.98 -1.79 121.76 116.65 3mj5 s ALA 177 Ca 0.49 -1.28 -0.25 0.00 0.00 0.00 0.00 51.96 50.92 3mj5 s ALA 177 Cb 0.43 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 3mj5 s ALA 177 CO 0.04 0.57 1.75 1.21 0.00 0.00 0.00 175.76 179.33 3mj5 s ASN 178 N -2.62 5.57 -0.10 0.00 2.47 0.50 -4.66 114.94 116.10 3mj5 s ASN 178 Ca 0.26 -0.58 0.14 0.00 0.42 0.00 0.00 52.86 53.10 3mj5 s ASN 178 Cb -0.10 -2.55 0.44 0.00 -1.45 0.00 0.00 41.25 37.59 3mj5 s ASN 178 CO 0.17 -2.30 1.36 0.18 -3.72 0.00 0.00 177.10 172.79 3mj5 n LEU 179 N 12.12 3.53 -0.39 3.21 4.77 -1.26 -4.76 117.00 134.22 3mj5 n LEU 179 Ca 0.30 -2.57 0.35 0.00 -0.03 0.00 0.00 56.01 54.06 3mj5 n LEU 179 Cb 0.49 -0.41 0.69 0.00 -2.33 0.00 0.00 43.42 41.86 3mj5 n LEU 179 CO 0.65 0.70 1.31 1.05 -1.33 0.00 0.00 177.39 179.77 3mj5 h GLU 180 N 1.98 0.10 -0.02 3.23 4.11 -1.99 0.20 114.58 122.20 3mj5 h GLU 180 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3mj5 h GLU 180 Cb 1.15 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3mj5 h GLU 180 CO 0.13 0.07 -0.03 -1.13 0.07 0.00 0.00 179.01 178.12 3mj5 n SER 181 N -4.33 2.52 -4.67 3.06 3.41 -1.26 -4.97 113.62 107.38 3mj5 n SER 181 Ca 0.30 -1.76 -0.43 0.00 -0.26 0.00 0.00 58.87 56.72 3mj5 n SER 181 Cb 1.29 0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 65.26 3mj5 n SER 181 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mj5 s ALA 182 N -1.62 3.60 0.03 7.33 0.00 0.71 -4.83 121.76 126.98 3mj5 s ALA 182 Ca 0.22 0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.69 3mj5 s ALA 182 Cb 0.16 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 3mj5 s ALA 182 CO 0.25 -0.99 -0.14 0.21 0.00 0.00 0.00 175.76 175.09 3mj5 s LYS 183 N 2.95 0.97 -0.04 0.00 2.20 -0.29 -4.11 119.74 121.42 3mj5 s LYS 183 Ca 0.53 -0.73 -0.02 0.00 -0.36 0.00 0.00 55.97 55.39 3mj5 s LYS 183 Cb -0.22 -0.98 0.02 0.00 -1.51 0.00 0.00 37.83 35.15 3mj5 s LYS 183 CO 0.16 0.24 0.08 0.50 -0.36 0.00 0.00 175.35 175.98 3mj5 s ARG 184 N -1.05 0.06 -0.07 4.03 3.52 -0.37 -1.18 118.95 123.90 3mj5 s ARG 184 Ca 0.02 0.20 0.05 0.00 -0.13 0.00 0.00 55.73 55.87 3mj5 s ARG 184 Cb -0.08 -0.08 -0.01 0.00 -1.56 0.00 0.00 34.95 33.22 3mj5 s ARG 184 CO 0.01 -0.09 -0.23 0.08 -0.81 0.00 0.00 175.30 174.26 3mj5 s VAL 185 N 0.59 1.90 0.03 7.11 1.01 -0.51 0.39 120.40 130.92 3mj5 s VAL 185 Ca -0.05 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.02 3mj5 s VAL 185 Cb -0.06 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 3mj5 s VAL 185 CO -0.02 0.53 -0.16 -0.76 0.00 0.00 0.00 175.10 174.69 3mj5 s LEU 186 N 0.05 2.15 -0.08 3.92 1.43 -0.24 -1.63 118.68 124.28 3mj5 s LEU 186 Ca -0.08 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 3mj5 s LEU 186 Cb -0.15 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.37 3mj5 s LEU 186 CO 0.05 0.08 -0.21 0.21 0.23 0.00 0.00 176.35 176.71 3mj5 s ASN 187 N -1.01 2.73 -0.18 2.29 3.04 -0.56 -0.67 114.94 120.57 3mj5 s ASN 187 Ca 0.03 -0.48 -0.02 0.00 0.04 0.00 0.00 52.86 52.44 3mj5 s ASN 187 Cb -0.08 -1.17 -0.01 0.00 -1.54 0.00 0.00 41.25 38.46 3mj5 s ASN 187 CO 0.01 0.14 -0.11 -0.69 -3.04 0.00 0.00 177.10 173.41 3mj5 s VAL 188 N 0.35 3.00 -0.19 -5.21 1.01 0.11 -1.53 120.40 117.94 3mj5 s VAL 188 Ca -0.16 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 3mj5 s VAL 188 Cb -0.17 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.92 3mj5 s VAL 188 CO 0.07 0.48 -0.16 -0.69 0.00 0.00 0.00 175.10 174.81 3mj5 s VAL 189 N 1.01 2.41 -0.22 2.92 1.01 0.72 -1.43 120.40 126.82 3mj5 s VAL 189 Ca -0.01 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 3mj5 s VAL 189 Cb -0.15 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3mj5 s VAL 189 CO -0.02 0.49 0.03 0.00 0.00 0.00 0.00 175.10 175.61 3mj5 h LYS 191 N 7.65 0.00 0.00 0.00 1.57 -1.85 0.36 116.57 124.30 3mj5 h LYS 191 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3mj5 h LYS 191 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3mj5 h LYS 191 CO 0.61 0.00 -0.50 1.58 -0.57 0.00 0.00 179.45 180.57 3mj5 n HIS 192 N -3.49 0.03 0.34 -1.35 -0.00 -1.26 -4.69 115.22 104.80 3mj5 n HIS 192 Ca 0.05 0.01 0.20 0.00 0.46 0.00 0.00 57.72 58.45 3mj5 n HIS 192 Cb 0.58 -0.27 1.09 0.00 -0.12 0.00 0.00 29.99 31.26 3mj5 n HIS 192 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3mj5 n GLY 194 N -1.13 -0.96 3.42 0.00 0.00 0.10 -4.92 105.19 101.69 3mj5 n GLY 194 Ca -0.03 -1.77 -0.28 0.00 0.00 0.00 0.00 46.02 43.94 3mj5 n GLY 194 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mj5 s GLN 195 N 0.00 1.52 0.06 1.61 -0.21 -1.26 -0.70 119.66 120.68 3mj5 s GLN 195 Ca 0.00 -1.39 -0.07 0.00 0.02 0.00 0.00 55.36 53.92 3mj5 s GLN 195 Cb 0.00 -1.92 -0.01 0.00 1.00 0.00 0.00 33.01 32.08 3mj5 s GLN 195 CO 0.00 0.44 0.14 0.21 -2.12 0.00 0.00 175.29 173.96 3mj5 s LYS 196 N -2.32 0.71 0.03 2.91 2.20 -0.52 -5.00 119.74 117.74 3mj5 s LYS 196 Ca 0.17 -0.83 0.03 0.00 -0.36 0.00 0.00 55.97 54.99 3mj5 s LYS 196 Cb -0.09 0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 36.49 3mj5 s LYS 196 CO 0.08 -0.20 -0.11 -0.08 -0.36 0.00 0.00 175.35 174.69 3mj5 s THR 197 N -3.14 0.82 0.00 3.43 -1.32 -1.26 -0.71 115.64 113.46 3mj5 s THR 197 Ca -0.01 -0.82 0.01 0.00 -1.21 0.00 0.00 61.69 59.67 3mj5 s THR 197 Cb 0.02 -0.76 -0.01 0.00 -1.51 0.00 0.00 72.50 70.24 3mj5 s THR 197 CO -0.07 -0.04 -0.04 -0.89 -2.21 0.00 0.00 174.62 171.36 3mj5 s THR 198 N -0.78 0.33 -0.12 5.08 2.01 0.15 -4.98 115.64 117.34 3mj5 s THR 198 Ca -0.01 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.69 3mj5 s THR 198 Cb -0.07 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 3mj5 s THR 198 CO 0.01 0.01 -0.13 -0.89 -0.69 0.00 0.00 174.62 172.93 3mj5 s THR 199 N -0.30 3.09 -0.07 -0.82 2.01 -1.26 -1.08 115.64 117.21 3mj5 s THR 199 Ca -0.00 -0.66 0.05 0.00 0.31 0.00 0.00 61.69 61.39 3mj5 s THR 199 Cb -0.03 -2.29 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 3mj5 s THR 199 CO -0.00 0.53 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.47 3mj5 s LEU 200 N 0.20 2.04 0.21 4.42 1.43 0.16 -4.97 118.68 122.17 3mj5 s LEU 200 Ca -0.08 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.55 3mj5 s LEU 200 Cb -0.15 -1.31 -0.05 0.00 0.03 0.00 0.00 46.19 44.71 3mj5 s LEU 200 CO 0.05 0.21 0.03 0.42 0.23 0.00 0.00 176.35 177.28 3mj5 s THR 201 N 0.00 0.74 0.00 5.49 -4.23 -1.26 -1.24 115.64 115.14 3mj5 s THR 201 Ca -0.07 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 3mj5 s THR 201 Cb -0.14 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.38 3mj5 s THR 201 CO 0.05 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 3mj5 n GLY 202 N -0.35 -0.11 0.33 3.99 0.00 -1.26 -3.59 105.19 104.20 3mj5 n GLY 202 Ca -0.04 -1.03 0.24 0.00 0.00 0.00 0.00 46.02 45.18 3mj5 n GLY 202 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3mj5 h VAL 203 N 0.00 0.07 0.00 1.61 2.07 -1.94 0.52 116.25 118.58 3mj5 h VAL 203 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3mj5 h VAL 203 Cb 0.00 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 3mj5 h VAL 203 CO 0.00 0.01 0.00 -0.33 0.02 0.00 0.00 177.57 177.27 3mj5 h GLU 204 N 0.06 0.00 0.00 1.57 5.08 -1.84 -0.77 114.58 118.67 3mj5 h GLU 204 Ca 0.73 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.09 3mj5 h GLU 204 Cb 1.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.99 3mj5 h GLU 204 CO -0.79 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.22 3mj5 h ALA 205 N 2.26 1.00 0.00 3.43 0.00 -0.07 -3.31 119.26 122.57 3mj5 h ALA 205 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mj5 h ALA 205 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3mj5 h ALA 205 CO 0.00 0.00 -1.02 1.33 0.00 0.00 0.00 179.25 179.56 3mj5 n VAL 206 N -2.75 0.00 -5.16 0.00 0.24 -0.34 -4.67 118.33 105.65 3mj5 n VAL 206 Ca 0.02 -0.22 -0.32 0.00 -2.04 0.00 0.00 64.34 61.78 3mj5 n VAL 206 Cb 0.33 0.55 -0.16 0.00 -1.47 0.00 0.00 33.84 33.09 3mj5 n VAL 206 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3mj5 s MET 207 N -2.25 2.72 -0.03 7.34 1.00 -0.93 -1.00 119.30 126.14 3mj5 s MET 207 Ca -0.01 -0.85 -0.01 0.00 0.00 0.00 0.00 55.69 54.81 3mj5 s MET 207 Cb 0.05 -2.26 0.03 0.00 0.00 0.00 0.00 34.83 32.65 3mj5 s MET 207 CO 0.31 0.36 0.07 -0.47 0.00 0.00 0.00 175.02 175.29 3mj5 s TYR 208 N -0.09 -0.05 -0.25 -0.03 5.04 -0.88 -4.72 117.35 116.37 3mj5 s TYR 208 Ca -0.05 0.24 -0.03 0.00 -2.44 0.00 0.00 57.07 54.78 3mj5 s TYR 208 Cb -0.14 -0.13 0.01 0.00 0.35 0.00 0.00 41.96 42.04 3mj5 s TYR 208 CO 0.04 -0.10 -0.03 1.41 -1.34 0.00 0.00 175.55 175.54 3mj5 s MET 209 N 0.86 3.06 0.00 4.97 -2.45 -1.26 -0.58 119.30 123.90 3mj5 s MET 209 Ca -0.07 -0.84 0.00 0.00 -1.25 0.00 0.00 55.69 53.53 3mj5 s MET 209 Cb -0.10 -3.07 0.00 0.00 1.25 0.00 0.00 34.83 32.92 3mj5 s MET 209 CO -0.03 -0.34 0.00 0.41 1.05 0.00 0.00 175.02 176.11 3mj5 n GLY 210 N 4.75 1.21 3.39 2.11 0.00 0.36 -4.97 105.19 112.04 3mj5 n GLY 210 Ca -0.17 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 3mj5 n GLY 210 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mj5 s THR 211 N 0.00 0.03 -1.09 2.61 -1.32 -1.15 -4.93 115.64 109.79 3mj5 s THR 211 Ca 0.00 -0.26 0.24 0.00 -1.21 0.00 0.00 61.69 60.46 3mj5 s THR 211 Cb 0.00 -0.92 -0.05 0.00 -1.51 0.00 0.00 72.50 70.02 3mj5 s THR 211 CO 0.00 -0.14 1.25 0.18 -2.21 0.00 0.00 174.62 173.70 3mj5 n LEU 212 N 0.68 0.76 -4.72 9.08 4.77 -1.26 -3.36 117.00 122.94 3mj5 n LEU 212 Ca -0.19 -0.21 -0.35 0.00 -0.03 0.00 0.00 56.01 55.23 3mj5 n LEU 212 Cb 0.59 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 3mj5 n LEU 212 CO 0.21 0.18 -0.18 -0.55 -1.33 0.00 0.00 177.39 175.72 3mj5 s SER 213 N -2.94 6.17 0.11 -1.43 0.15 -1.26 -4.68 113.70 109.81 3mj5 s SER 213 Ca 0.11 0.21 -0.03 0.00 0.70 0.00 0.00 55.95 56.94 3mj5 s SER 213 Cb 0.17 -2.09 -0.19 0.00 -1.71 0.00 0.00 66.02 62.21 3mj5 s SER 213 CO 0.74 0.17 1.23 0.22 1.20 0.00 0.00 173.24 176.79 3mj5 h TYR 214 N 6.76 0.50 -0.81 3.44 3.20 -1.96 -2.94 116.97 125.16 3mj5 h TYR 214 Ca -0.41 -0.32 0.07 0.00 3.14 0.00 0.00 58.73 61.21 3mj5 h TYR 214 Cb 1.15 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 39.32 3mj5 h TYR 214 CO 0.59 1.19 0.48 -0.44 -1.64 0.00 0.00 178.16 178.35 3mj5 h ASP 215 N 0.13 0.74 0.15 -2.11 3.32 -1.97 -2.50 116.42 114.18 3mj5 h ASP 215 Ca -0.10 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 3mj5 h ASP 215 Cb 1.78 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 41.20 3mj5 h ASP 215 CO 0.18 0.47 -0.12 0.78 -1.72 0.00 0.00 179.24 178.82 3mj5 h ASN 216 N 0.87 0.00 1.15 6.45 4.21 -1.87 -0.24 115.58 126.15 3mj5 h ASN 216 Ca 0.36 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.72 3mj5 h ASN 216 Cb 0.20 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.38 3mj5 h ASN 216 CO -0.19 0.12 -0.69 0.25 -1.29 0.00 0.00 177.43 175.64 3mj5 h LEU 217 N 0.00 0.00 -0.20 1.61 5.85 -1.41 0.81 115.31 121.97 3mj5 h LEU 217 Ca -0.00 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 3mj5 h LEU 217 Cb 0.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3mj5 h LEU 217 CO 0.02 0.69 -0.94 0.11 -0.34 0.00 0.00 178.44 177.98 3mj5 h LYS 218 N 0.00 0.24 0.00 1.25 1.57 -1.00 -0.07 116.57 118.56 3mj5 h LYS 218 Ca -0.01 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 3mj5 h LYS 218 Cb 1.46 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.85 3mj5 h LYS 218 CO 0.09 1.02 -1.24 0.25 -0.57 0.00 0.00 179.45 179.00 3mj5 n THR 219 N -3.65 0.52 0.00 -0.16 -2.24 -0.21 -4.48 114.28 104.06 3mj5 n THR 219 Ca -0.05 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3mj5 n THR 219 Cb 0.84 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3mj5 n THR 219 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mj5 n GLY 220 N 1.21 4.06 3.34 3.38 0.00 0.27 -4.97 105.19 112.48 3mj5 n GLY 220 Ca -0.01 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 3mj5 n GLY 220 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mj5 s VAL 221 N -0.34 2.09 0.18 1.61 -7.23 0.67 -4.72 120.40 112.66 3mj5 s VAL 221 Ca 0.00 -1.43 -0.18 0.00 -1.81 0.00 0.00 61.98 58.56 3mj5 s VAL 221 Cb 0.00 -1.80 -0.08 0.00 0.56 0.00 0.00 36.38 35.06 3mj5 s VAL 221 CO 0.00 0.29 0.66 -0.44 -0.31 0.00 0.00 175.10 175.29 3mj5 s SER 222 N -1.39 7.00 0.06 4.85 0.01 -1.26 -0.67 113.70 122.30 3mj5 s SER 222 Ca 0.11 1.31 -0.11 0.00 1.31 0.00 0.00 55.95 58.57 3mj5 s SER 222 Cb -0.10 -2.38 0.01 0.00 0.21 0.00 0.00 66.02 63.77 3mj5 s SER 222 CO 0.03 0.09 0.25 0.27 0.41 0.00 0.00 173.24 174.29 3mj5 s ILE 223 N -1.44 0.10 0.18 1.44 -4.36 -0.45 -4.93 121.20 111.74 3mj5 s ILE 223 Ca 0.40 -0.86 -0.32 0.00 -0.26 0.00 0.00 60.65 59.61 3mj5 s ILE 223 Cb -0.17 -1.06 -0.11 0.00 1.25 0.00 0.00 42.46 42.37 3mj5 s ILE 223 CO 0.20 -0.48 1.60 -2.84 0.24 0.00 0.00 174.94 173.67 3mj5 s PRO 224 N -3.03 4.19 -0.16 0.37 0.02 -1.26 0.19 135.00 135.31 3mj5 s PRO 224 Ca -0.02 2.42 -0.07 0.00 0.02 0.00 0.00 61.00 63.36 3mj5 s PRO 224 Cb 0.01 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 3mj5 s PRO 224 CO -0.06 -0.64 0.06 0.00 -0.33 0.00 0.00 177.00 176.03 3mj5 h VAL 226 N 4.68 0.00 0.00 0.00 2.07 -1.95 0.39 116.25 121.44 3mj5 h VAL 226 Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3mj5 h VAL 226 Cb 1.18 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3mj5 h VAL 226 CO 0.67 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.26 3mj5 n GLY 228 N 0.93 0.77 0.00 0.00 0.00 0.14 -5.01 105.19 102.01 3mj5 n GLY 228 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3mj5 n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mj5 n ARG 229 N -2.24 1.62 -4.17 1.61 1.74 -1.22 -4.95 116.66 109.06 3mj5 n ARG 229 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 3mj5 n ARG 229 Cb 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.29 3mj5 n ARG 229 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3mj5 s ASP 230 N -0.97 3.90 0.52 0.55 2.15 -1.26 -0.48 116.67 121.09 3mj5 s ASP 230 Ca 0.00 -0.45 0.03 0.00 0.43 0.00 0.00 52.55 52.56 3mj5 s ASP 230 Cb 0.00 -1.64 0.03 0.00 -0.30 0.00 0.00 42.92 41.02 3mj5 s ASP 230 CO 0.00 0.03 0.73 0.00 -0.17 0.00 0.00 175.17 175.76 3mj5 s ALA 231 N 1.18 4.09 -0.11 3.66 0.00 0.49 -4.74 121.76 126.32 3mj5 s ALA 231 Ca 0.02 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.53 3mj5 s ALA 231 Cb -0.14 -1.93 -0.01 0.00 0.00 0.00 0.00 23.12 21.04 3mj5 s ALA 231 CO -0.04 -0.66 -0.19 0.99 0.00 0.00 0.00 175.76 175.86 3mj5 s THR 232 N -2.67 2.52 -0.16 0.00 2.01 0.18 -1.34 115.64 116.19 3mj5 s THR 232 Ca 0.57 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.73 3mj5 s THR 232 Cb -0.10 -2.01 0.01 0.00 0.01 0.00 0.00 72.50 70.40 3mj5 s THR 232 CO 0.37 0.54 -0.18 -1.58 -0.69 0.00 0.00 174.62 173.08 3mj5 s GLN 233 N 0.35 3.11 0.11 4.92 0.74 0.15 -0.20 119.66 128.84 3mj5 s GLN 233 Ca -0.15 -0.80 0.01 0.00 0.05 0.00 0.00 55.36 54.46 3mj5 s GLN 233 Cb -0.17 -2.56 -0.04 0.00 1.10 0.00 0.00 33.01 31.34 3mj5 s GLN 233 CO 0.07 -0.05 -0.02 1.52 -0.55 0.00 0.00 175.29 176.27 3mj5 s TYR 234 N 0.93 0.88 -0.22 1.67 -0.85 -0.58 -0.24 117.35 118.94 3mj5 s TYR 234 Ca -0.04 -1.04 -0.17 0.00 -0.52 0.00 0.00 57.07 55.31 3mj5 s TYR 234 Cb -0.15 -0.52 -0.03 0.00 0.38 0.00 0.00 41.96 41.63 3mj5 s TYR 234 CO -0.03 -0.29 0.46 -1.17 -1.52 0.00 0.00 175.55 173.00 3mj5 s LEU 235 N -3.05 4.11 -0.08 -3.49 2.96 -0.04 -1.50 118.68 117.59 3mj5 s LEU 235 Ca 0.16 0.54 0.16 0.00 -0.22 0.00 0.00 54.13 54.76 3mj5 s LEU 235 Cb 0.07 -2.60 -0.23 0.00 0.50 0.00 0.00 46.19 43.93 3mj5 s LEU 235 CO -0.03 -0.17 0.46 1.33 -1.32 0.00 0.00 176.35 176.62 3mj5 n VAL 236 N 4.70 1.37 -3.70 1.68 0.24 -0.64 -4.52 118.33 117.46 3mj5 n VAL 236 Ca -0.06 -0.79 -0.12 0.00 -2.04 0.00 0.00 64.34 61.33 3mj5 n VAL 236 Cb 0.50 -0.72 -0.10 0.00 -1.47 0.00 0.00 33.84 32.06 3mj5 n VAL 236 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3mj5 s GLN 237 N -2.66 0.50 -0.07 7.34 0.74 -1.15 -0.72 119.66 123.64 3mj5 s GLN 237 Ca -0.07 0.76 0.00 0.00 0.05 0.00 0.00 55.36 56.11 3mj5 s GLN 237 Cb 0.08 0.14 0.02 0.00 1.10 0.00 0.00 33.01 34.35 3mj5 s GLN 237 CO 0.83 -0.11 -0.05 -1.14 -0.55 0.00 0.00 175.29 174.27 3mj5 s GLN 238 N 0.83 1.06 -0.35 1.67 2.00 0.15 -1.42 119.66 123.60 3mj5 s GLN 238 Ca -0.05 -0.14 0.02 0.00 -2.00 0.00 0.00 55.36 53.19 3mj5 s GLN 238 Cb -0.05 -1.11 0.11 0.00 0.80 0.00 0.00 33.01 32.76 3mj5 s GLN 238 CO -0.07 -0.15 0.11 -1.21 -0.50 0.00 0.00 175.29 173.48 3mj5 s GLU 239 N 1.25 1.15 -0.06 1.67 0.41 -0.32 0.16 118.70 122.96 3mj5 s GLU 239 Ca -0.05 -1.59 -0.31 0.00 -0.41 0.00 0.00 54.97 52.60 3mj5 s GLU 239 Cb -0.14 -2.56 0.12 0.00 -1.78 0.00 0.00 34.13 29.77 3mj5 s GLU 239 CO -0.02 -1.00 1.18 -1.54 -0.49 0.00 0.00 175.26 173.39 3mj5 s SER 240 N 1.06 -0.13 0.00 -0.19 1.04 -1.15 -1.13 113.70 113.20 3mj5 s SER 240 Ca 0.12 -0.11 0.27 0.00 0.48 0.00 0.00 55.95 56.71 3mj5 s SER 240 Cb -0.19 0.22 0.90 0.00 0.10 0.00 0.00 66.02 67.04 3mj5 s SER 240 CO -0.14 -0.38 1.65 -1.54 0.98 0.00 0.00 173.24 173.82 3mj5 n SER 241 N -0.32 0.89 -3.70 7.02 3.41 -1.25 -2.71 113.62 116.97 3mj5 n SER 241 Ca -0.05 -0.82 -0.06 0.00 -0.26 0.00 0.00 58.87 57.67 3mj5 n SER 241 Cb 0.61 0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.61 3mj5 n SER 241 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3mj5 s PHE 242 N -2.48 -0.24 0.02 7.33 -0.71 -1.26 -2.13 117.98 118.52 3mj5 s PHE 242 Ca 0.26 -0.07 0.00 0.00 -1.04 0.00 0.00 56.93 56.08 3mj5 s PHE 242 Cb 0.19 0.63 -0.02 0.00 -1.21 0.00 0.00 43.02 42.62 3mj5 s PHE 242 CO 0.50 -0.90 -0.03 0.14 -1.34 0.00 0.00 175.22 173.59 3mj5 s VAL 243 N -3.50 0.14 -0.10 -2.49 -7.23 -0.19 -4.84 120.40 102.18 3mj5 s VAL 243 Ca 0.09 -0.85 0.04 0.00 -1.81 0.00 0.00 61.98 59.45 3mj5 s VAL 243 Cb -0.03 -0.27 -0.00 0.00 0.56 0.00 0.00 36.38 36.64 3mj5 s VAL 243 CO -0.00 -0.45 -0.23 -0.32 -0.31 0.00 0.00 175.10 173.79 3mj5 s MET 244 N -1.35 3.07 -0.08 4.82 0.00 -0.17 -1.01 119.30 124.59 3mj5 s MET 244 Ca -0.14 -0.86 0.05 0.00 0.00 0.00 0.00 55.69 54.74 3mj5 s MET 244 Cb -0.09 -2.33 -0.01 0.00 0.00 0.00 0.00 34.83 32.40 3mj5 s MET 244 CO -0.01 0.19 -0.23 -1.64 0.00 0.00 0.00 175.02 173.33 3mj5 s MET 245 N 0.33 2.77 0.08 4.11 -1.94 0.16 -2.08 119.30 122.73 3mj5 s MET 245 Ca -0.18 -0.87 0.04 0.00 -1.71 0.00 0.00 55.69 52.98 3mj5 s MET 245 Cb -0.18 -2.25 -0.03 0.00 2.01 0.00 0.00 34.83 34.38 3mj5 s MET 245 CO 0.09 0.32 -0.12 -1.12 -0.01 0.00 0.00 175.02 174.17 3mj5 s SER 246 N 0.00 1.53 0.15 3.03 0.01 0.25 -0.95 113.70 117.73 3mj5 s SER 246 Ca -0.08 -0.68 -0.17 0.00 1.31 0.00 0.00 55.95 56.33 3mj5 s SER 246 Cb -0.15 -0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.09 3mj5 s SER 246 CO 0.05 -0.15 0.47 0.00 0.41 0.00 0.00 173.24 174.02 3mj5 s ALA 247 N -1.67 -1.02 0.79 1.44 0.00 -0.65 -0.49 121.76 120.15 3mj5 s ALA 247 Ca -0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 3mj5 s ALA 247 Cb -0.08 0.77 0.07 0.00 0.00 0.00 0.00 23.12 23.89 3mj5 s ALA 247 CO 0.02 -0.71 1.12 -2.14 0.00 0.00 0.00 175.76 174.05 3mj5 s PRO 248 N -3.82 2.01 -0.13 0.00 0.02 -1.26 -4.66 135.00 127.17 3mj5 s PRO 248 Ca 0.05 1.37 -0.36 0.00 0.02 0.00 0.00 61.00 62.08 3mj5 s PRO 248 Cb 0.01 -1.85 -0.14 0.00 0.02 0.00 0.00 34.50 32.54 3mj5 s PRO 248 CO -0.09 -1.86 1.78 -2.30 -0.33 0.00 0.00 177.00 174.20 3mj5 n PRO 249 N -3.43 1.75 -4.06 5.54 -0.02 -1.26 -4.87 135.00 128.65 3mj5 n PRO 249 Ca 0.11 0.64 -0.11 0.00 -2.02 0.00 0.00 63.50 62.12 3mj5 n PRO 249 Cb 0.52 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 3mj5 n PRO 249 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mj5 s ALA 250 N 3.48 0.27 -0.15 3.55 0.00 -1.26 -5.00 121.76 122.64 3mj5 s ALA 250 Ca 0.93 -1.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.43 3mj5 s ALA 250 Cb -0.84 1.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 3mj5 s ALA 250 CO 0.56 -0.79 0.94 -2.00 0.00 0.00 0.00 175.76 174.47 3mj5 s GLU 251 N -3.82 4.34 -0.05 0.00 2.56 -1.26 -3.09 118.70 117.39 3mj5 s GLU 251 Ca 0.28 1.24 -0.04 0.00 0.00 0.00 0.00 54.97 56.45 3mj5 s GLU 251 Cb 0.01 -3.57 0.02 0.00 2.00 0.00 0.00 34.13 32.59 3mj5 s GLU 251 CO 0.12 -0.38 0.13 -0.47 -0.56 0.00 0.00 175.26 174.10 3mj5 s TYR 252 N 2.28 -0.14 -0.22 5.30 5.04 0.54 -4.92 117.35 125.22 3mj5 s TYR 252 Ca 0.44 0.37 -0.13 0.00 -2.44 0.00 0.00 57.07 55.30 3mj5 s TYR 252 Cb -0.17 0.02 -0.04 0.00 0.35 0.00 0.00 41.96 42.11 3mj5 s TYR 252 CO 0.14 -0.09 0.29 0.21 -1.34 0.00 0.00 175.55 174.76 3mj5 s LYS 253 N 0.30 4.11 -0.38 4.97 2.20 -1.26 -2.65 119.74 127.04 3mj5 s LYS 253 Ca -0.02 -0.03 -0.14 0.00 -0.36 0.00 0.00 55.97 55.42 3mj5 s LYS 253 Cb -0.03 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 3mj5 s LYS 253 CO -0.01 -0.01 0.30 -0.51 -0.36 0.00 0.00 175.35 174.75 3mj5 s LEU 254 N 1.26 4.78 0.16 5.43 1.43 0.16 -5.00 118.68 126.90 3mj5 s LEU 254 Ca 0.13 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 3mj5 s LEU 254 Cb -0.14 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 3mj5 s LEU 254 CO 0.07 -0.37 0.16 -1.10 0.23 0.00 0.00 176.35 175.34 3mj5 s GLN 255 N 1.78 3.01 0.53 1.70 -0.21 -1.26 -2.64 119.66 122.57 3mj5 s GLN 255 Ca 0.07 -0.80 -0.20 0.00 0.02 0.00 0.00 55.36 54.45 3mj5 s GLN 255 Cb -0.18 -2.72 -0.07 0.00 1.00 0.00 0.00 33.01 31.05 3mj5 s GLN 255 CO 0.11 0.50 1.10 -0.65 -2.12 0.00 0.00 175.29 174.23 3mj5 s GLN 256 N -3.09 3.48 0.00 2.91 -0.21 -1.26 -3.52 119.66 117.97 3mj5 s GLN 256 Ca 0.32 1.54 0.00 0.00 0.02 0.00 0.00 55.36 57.24 3mj5 s GLN 256 Cb -0.10 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.88 3mj5 s GLN 256 CO 0.24 -0.73 0.00 0.41 -2.12 0.00 0.00 175.29 173.09 3mj5 n GLY 257 N 0.05 0.57 0.00 3.09 0.00 -1.26 -4.91 105.19 102.73 3mj5 n GLY 257 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3mj5 n GLY 257 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mj5 n THR 258 N -2.86 0.00 -4.12 2.61 -2.24 -1.23 -5.07 114.28 101.38 3mj5 n THR 258 Ca 0.00 -0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 3mj5 n THR 258 Cb 0.00 0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 68.54 3mj5 n THR 258 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3mj5 s PHE 259 N -2.02 0.93 -0.08 4.78 -0.71 -1.26 -5.02 117.98 114.61 3mj5 s PHE 259 Ca -0.00 -1.17 -0.04 0.00 -1.04 0.00 0.00 56.93 54.68 3mj5 s PHE 259 Cb 0.00 -0.22 -0.01 0.00 -1.21 0.00 0.00 43.02 41.58 3mj5 s PHE 259 CO 0.01 -0.90 -0.07 1.25 -1.34 0.00 0.00 175.22 174.17 3mj5 h LEU 260 N 2.33 0.00 -7.99 -1.99 5.85 -1.15 -3.44 115.31 108.93 3mj5 h LEU 260 Ca -0.30 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.45 3mj5 h LEU 260 Cb 1.25 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 3mj5 h LEU 260 CO 0.42 0.40 0.26 0.00 -0.34 0.00 0.00 178.44 179.18 3mj5 s ALA 262 N -3.13 -1.61 0.10 0.00 0.00 0.23 0.69 121.76 118.05 3mj5 s ALA 262 Ca 0.13 0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.63 3mj5 s ALA 262 Cb -0.05 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 3mj5 s ALA 262 CO 0.09 -0.80 -0.10 0.54 0.00 0.00 0.00 175.76 175.49 3mj5 s ASN 263 N -2.72 1.54 0.14 0.00 2.20 -0.40 0.86 114.94 116.57 3mj5 s ASN 263 Ca 0.04 -0.83 0.10 0.00 -0.94 0.00 0.00 52.86 51.22 3mj5 s ASN 263 Cb -0.02 -0.00 -0.04 0.00 -2.00 0.00 0.00 41.25 39.19 3mj5 s ASN 263 CO -0.09 -0.26 -0.23 -1.83 -2.94 0.00 0.00 177.10 171.75 3mj5 s GLU 264 N -2.89 1.33 -0.17 3.55 4.04 -0.19 -0.56 118.70 123.81 3mj5 s GLU 264 Ca 0.07 -1.35 0.01 0.00 0.04 0.00 0.00 54.97 53.73 3mj5 s GLU 264 Cb -0.02 -1.64 0.02 0.00 0.02 0.00 0.00 34.13 32.51 3mj5 s GLU 264 CO 0.00 0.37 -0.16 -0.47 -1.84 0.00 0.00 175.26 173.16 3mj5 s TYR 265 N -1.42 2.43 -0.19 4.83 5.04 -0.61 -1.14 117.35 126.30 3mj5 s TYR 265 Ca 0.14 -1.43 -0.04 0.00 -2.44 0.00 0.00 57.07 53.30 3mj5 s TYR 265 Cb -0.09 -1.72 -0.02 0.00 0.35 0.00 0.00 41.96 40.48 3mj5 s TYR 265 CO 0.07 -0.73 -0.03 0.99 -1.34 0.00 0.00 175.55 174.51 3mj5 s THR 266 N 1.40 3.78 -4.48 4.34 2.01 0.20 -4.76 115.64 118.12 3mj5 s THR 266 Ca 0.04 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.66 3mj5 s THR 266 Cb -0.13 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.69 3mj5 s THR 266 CO -0.11 0.45 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 3mj5 n GLY 267 N 4.11 0.87 2.86 4.40 0.00 -1.26 -1.11 105.19 115.06 3mj5 n GLY 267 Ca -0.17 -1.85 -0.25 0.00 0.00 0.00 0.00 46.02 43.75 3mj5 n GLY 267 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3mj5 n ASN 268 N 0.00 2.98 -0.18 1.61 0.23 -0.66 -4.94 115.26 114.30 3mj5 n ASN 268 Ca 0.00 -2.69 0.07 0.00 -0.53 0.00 0.00 54.58 51.43 3mj5 n ASN 268 Cb 0.00 0.22 0.37 0.00 -2.08 0.00 0.00 39.78 38.29 3mj5 n ASN 268 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 3mj5 h TYR 269 N 1.10 0.73 0.17 -2.53 3.20 -2.01 -2.49 116.97 115.14 3mj5 h TYR 269 Ca -0.32 0.02 -0.30 0.00 3.14 0.00 0.00 58.73 61.27 3mj5 h TYR 269 Cb 1.00 -0.24 0.02 0.00 1.54 0.00 0.00 36.73 39.05 3mj5 h TYR 269 CO 0.00 0.38 -1.31 1.96 -1.64 0.00 0.00 178.16 177.54 3mj5 h GLN 270 N 0.71 0.46 -2.33 1.82 7.50 -2.03 -3.45 115.11 117.79 3mj5 h GLN 270 Ca 0.32 -0.72 -0.18 0.00 0.50 0.00 0.00 58.65 58.57 3mj5 h GLN 270 Cb 0.31 0.26 -0.31 0.00 0.05 0.00 0.00 27.48 27.79 3mj5 h GLN 270 CO -0.11 1.33 -0.49 0.00 -1.50 0.00 0.00 178.83 178.06 3mj5 n GLY 272 N 5.36 1.20 2.88 0.00 0.00 -1.25 -1.65 105.19 111.73 3mj5 n GLY 272 Ca -0.05 -1.10 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 3mj5 n GLY 272 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3mj5 s HIS 273 N -4.66 0.39 0.12 1.61 2.46 -0.26 -4.96 115.29 109.98 3mj5 s HIS 273 Ca 0.10 -0.06 -0.09 0.00 0.47 0.00 0.00 55.06 55.49 3mj5 s HIS 273 Cb -0.02 -0.37 -0.06 0.00 -0.13 0.00 0.00 32.58 32.00 3mj5 s HIS 273 CO 0.05 -0.09 0.43 0.71 -2.47 0.00 0.00 174.74 173.37 3mj5 s TYR 274 N 0.54 3.54 0.06 3.88 2.02 -1.26 -0.62 117.35 125.51 3mj5 s TYR 274 Ca -0.06 0.77 0.02 0.00 -0.37 0.00 0.00 57.07 57.43 3mj5 s TYR 274 Cb -0.09 -2.15 -0.03 0.00 -0.40 0.00 0.00 41.96 39.29 3mj5 s TYR 274 CO -0.01 0.46 -0.07 0.95 -1.57 0.00 0.00 175.55 175.31 3mj5 s THR 275 N -1.52 0.56 -0.09 -0.71 -4.23 -0.29 -4.90 115.64 104.46 3mj5 s THR 275 Ca 0.37 -1.42 -0.05 0.00 -1.18 0.00 0.00 61.69 59.41 3mj5 s THR 275 Cb -0.13 -1.03 -0.04 0.00 1.34 0.00 0.00 72.50 72.64 3mj5 s THR 275 CO 0.20 -0.60 0.11 -2.28 -0.54 0.00 0.00 174.62 171.51 3mj5 s HIS 276 N -2.33 3.48 -0.12 3.99 2.46 -0.69 -1.02 115.29 121.05 3mj5 s HIS 276 Ca -0.01 0.41 0.03 0.00 0.47 0.00 0.00 55.06 55.96 3mj5 s HIS 276 Cb -0.03 -1.88 0.00 0.00 -0.13 0.00 0.00 32.58 30.54 3mj5 s HIS 276 CO -0.02 0.66 -0.23 0.42 -2.47 0.00 0.00 174.74 173.10 3mj5 s ILE 277 N -1.05 2.09 -0.00 0.89 1.09 0.25 0.32 121.20 124.79 3mj5 s ILE 277 Ca 0.17 -0.99 0.08 0.00 -1.10 0.00 0.00 60.65 58.81 3mj5 s ILE 277 Cb -0.12 -1.81 -0.02 0.00 -1.06 0.00 0.00 42.46 39.45 3mj5 s ILE 277 CO 0.06 0.55 -0.25 0.28 -0.10 0.00 0.00 174.94 175.49 3mj5 s THR 278 N 0.54 1.98 -0.53 2.92 -1.32 0.26 -0.60 115.64 118.90 3mj5 s THR 278 Ca -0.14 -1.14 -0.20 0.00 -1.21 0.00 0.00 61.69 59.00 3mj5 s THR 278 Cb -0.17 -1.66 0.06 0.00 -1.51 0.00 0.00 72.50 69.22 3mj5 s THR 278 CO 0.04 0.49 0.72 0.00 -2.21 0.00 0.00 174.62 173.67 3mj5 s ALA 279 N -0.64 3.32 0.00 11.08 0.00 -1.08 -0.39 121.76 134.05 3mj5 s ALA 279 Ca 0.10 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.38 3mj5 s ALA 279 Cb -0.10 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3mj5 s ALA 279 CO -0.00 -2.16 0.00 1.63 0.00 0.00 0.00 175.76 175.23 3mj5 n LYS 280 N 6.55 2.49 -0.22 0.00 5.02 -1.26 -4.94 118.16 125.79 3mj5 n LYS 280 Ca -0.05 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.25 3mj5 n LYS 280 Cb 0.46 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.59 3mj5 n LYS 280 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3mj5 h GLU 281 N 0.00 0.45 0.00 1.97 9.09 -2.02 -3.44 114.58 120.63 3mj5 h GLU 281 Ca 0.00 -0.03 -0.52 0.00 0.05 0.00 0.00 59.36 58.86 3mj5 h GLU 281 Cb 0.00 -0.10 -0.12 0.00 -1.65 0.00 0.00 28.75 26.88 3mj5 h GLU 281 CO 0.00 0.30 -0.45 -2.37 0.05 0.00 0.00 179.01 176.54 3mj5 n THR 282 N -4.96 0.00 -2.51 -1.06 5.66 -1.26 -5.09 114.28 105.07 3mj5 n THR 282 Ca 0.10 -2.33 -0.42 0.00 -3.05 0.00 0.00 64.05 58.35 3mj5 n THR 282 Cb 0.30 0.91 -0.03 0.00 -1.55 0.00 0.00 70.33 69.96 3mj5 n THR 282 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3mj5 s LEU 283 N 0.00 4.37 -0.15 1.09 1.43 -0.34 -4.63 118.68 120.44 3mj5 s LEU 283 Ca 0.24 1.91 -0.05 0.00 -1.03 0.00 0.00 54.13 55.20 3mj5 s LEU 283 Cb 0.01 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 3mj5 s LEU 283 CO 0.17 -0.41 0.02 -0.31 0.23 0.00 0.00 176.35 176.06 3mj5 s TYR 284 N 1.05 3.17 -0.34 0.29 1.51 0.48 -2.03 117.35 121.48 3mj5 s TYR 284 Ca 0.57 -0.01 -0.08 0.00 -1.01 0.00 0.00 57.07 56.53 3mj5 s TYR 284 Cb -0.27 -1.98 0.02 0.00 -0.11 0.00 0.00 41.96 39.62 3mj5 s TYR 284 CO 0.29 0.17 0.14 0.50 -1.11 0.00 0.00 175.55 175.53 3mj5 s ARG 285 N 0.10 2.87 -0.28 -0.62 3.52 0.14 -0.57 118.95 124.11 3mj5 s ARG 285 Ca 0.03 -1.02 -0.09 0.00 -0.13 0.00 0.00 55.73 54.51 3mj5 s ARG 285 Cb -0.13 -3.54 -0.02 0.00 -1.56 0.00 0.00 34.95 29.70 3mj5 s ARG 285 CO 0.01 -0.60 0.13 0.42 -0.81 0.00 0.00 175.30 174.46 3mj5 s ILE 286 N 1.50 4.64 -0.58 4.11 1.01 0.15 -2.26 121.20 129.77 3mj5 s ILE 286 Ca 0.01 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.48 3mj5 s ILE 286 Cb -0.19 -3.27 0.15 0.00 0.01 0.00 0.00 42.46 39.17 3mj5 s ILE 286 CO 0.04 0.19 0.37 -0.62 0.00 0.00 0.00 174.94 174.93 3mj5 s ASP 287 N 1.64 4.24 1.64 3.58 2.15 -0.20 -1.71 116.67 128.01 3mj5 s ASP 287 Ca 0.06 -3.34 0.00 0.00 0.43 0.00 0.00 52.55 49.70 3mj5 s ASP 287 Cb -0.16 -1.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.99 3mj5 s ASP 287 CO 0.06 -0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.51 3mj5 n GLY 288 N 2.64 1.98 0.22 2.66 0.00 -1.26 -1.03 105.19 110.40 3mj5 n GLY 288 Ca 0.14 0.39 0.12 0.00 0.00 0.00 0.00 46.02 46.66 3mj5 n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mj5 h ALA 289 N -0.82 0.96 -2.63 4.61 0.00 -1.92 -3.39 119.26 116.07 3mj5 h ALA 289 Ca 0.00 -0.06 -0.56 0.00 0.00 0.00 0.00 54.91 54.29 3mj5 h ALA 289 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3mj5 h ALA 289 CO 0.00 0.08 -0.27 -1.01 0.00 0.00 0.00 179.25 178.05 3mj5 s HIS 290 N -3.27 3.47 0.01 0.00 3.76 -0.20 -4.96 115.29 114.10 3mj5 s HIS 290 Ca 0.05 0.57 0.01 0.00 -0.15 0.00 0.00 55.06 55.55 3mj5 s HIS 290 Cb 0.06 -2.02 -0.01 0.00 1.11 0.00 0.00 32.58 31.72 3mj5 s HIS 290 CO 0.66 0.37 -0.05 -1.17 -0.85 0.00 0.00 174.74 173.71 3mj5 s LEU 291 N -2.88 2.08 -0.03 0.89 2.96 -1.26 -1.03 118.68 119.41 3mj5 s LEU 291 Ca 0.42 -0.21 -0.18 0.00 -0.22 0.00 0.00 54.13 53.94 3mj5 s LEU 291 Cb -0.12 -0.16 0.03 0.00 0.50 0.00 0.00 46.19 46.45 3mj5 s LEU 291 CO 0.25 -0.04 0.39 0.42 -1.32 0.00 0.00 176.35 176.06 3mj5 s THR 292 N -0.49 0.04 0.21 3.68 -4.23 -0.96 -4.98 115.64 108.92 3mj5 s THR 292 Ca -0.03 -0.36 0.11 0.00 -1.18 0.00 0.00 61.69 60.24 3mj5 s THR 292 Cb -0.04 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 73.06 3mj5 s THR 292 CO -0.00 -0.20 -0.21 -0.54 -0.54 0.00 0.00 174.62 173.13 3mj5 s LYS 293 N -1.24 1.63 0.03 3.99 1.02 -1.26 0.27 119.74 124.18 3mj5 s LYS 293 Ca -0.13 -1.54 -0.28 0.00 0.02 0.00 0.00 55.97 54.05 3mj5 s LYS 293 Cb -0.04 -1.88 0.09 0.00 -0.52 0.00 0.00 37.83 35.48 3mj5 s LYS 293 CO 0.05 0.39 0.86 0.00 -0.92 0.00 0.00 175.35 175.74 3mj5 s MET 294 N -2.86 0.92 0.05 1.68 0.23 -0.86 -4.98 119.30 113.48 3mj5 s MET 294 Ca 0.23 -0.37 0.23 0.00 -1.03 0.00 0.00 55.69 54.75 3mj5 s MET 294 Cb -0.07 0.41 -0.01 0.00 -1.53 0.00 0.00 34.83 33.62 3mj5 s MET 294 CO 0.12 -0.41 0.96 -1.13 -2.03 0.00 0.00 175.02 172.53 3mj5 n SER 295 N -0.29 0.58 -3.54 -1.18 3.41 -1.26 -1.20 113.62 110.15 3mj5 n SER 295 Ca -0.09 -0.17 -0.16 0.00 -0.26 0.00 0.00 58.87 58.19 3mj5 n SER 295 Cb 0.62 0.90 -0.06 0.00 -0.26 0.00 0.00 64.21 65.41 3mj5 n SER 295 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3mj5 s GLU 296 N -3.24 0.96 -0.02 4.33 2.12 -1.26 -4.30 118.70 117.28 3mj5 s GLU 296 Ca 0.02 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.65 3mj5 s GLU 296 Cb 0.14 0.45 0.02 0.00 0.26 0.00 0.00 34.13 35.00 3mj5 s GLU 296 CO 0.81 -0.29 0.01 -0.47 -0.54 0.00 0.00 175.26 174.79 3mj5 s TYR 297 N -1.05 0.21 -0.20 5.30 6.14 -1.08 -5.02 117.35 121.65 3mj5 s TYR 297 Ca -0.08 0.03 -0.01 0.00 0.64 0.00 0.00 57.07 57.65 3mj5 s TYR 297 Cb -0.00 -0.31 0.06 0.00 0.42 0.00 0.00 41.96 42.12 3mj5 s TYR 297 CO 0.08 -0.10 -0.02 0.21 0.64 0.00 0.00 175.55 176.36 3mj5 s LYS 298 N 0.87 1.17 0.00 4.97 2.20 -1.26 0.35 119.74 128.04 3mj5 s LYS 298 Ca -0.08 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 3mj5 s LYS 298 Cb -0.12 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 3mj5 s LYS 298 CO -0.02 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 3mj5 n GLY 299 N 4.87 1.75 2.96 5.54 0.00 -1.09 -4.87 105.19 114.35 3mj5 n GLY 299 Ca -0.11 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 3mj5 n GLY 299 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mj5 n PRO 300 N 0.00 3.39 -2.39 1.61 -0.04 -1.24 -0.34 135.00 135.99 3mj5 n PRO 300 Ca 0.00 -3.35 -0.37 0.00 -0.04 0.00 0.00 63.50 59.75 3mj5 n PRO 300 Cb 0.00 -3.06 -0.02 0.00 -0.04 0.00 0.00 33.50 30.38 3mj5 n PRO 300 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3mj5 s VAL 301 N 1.40 3.39 0.00 0.52 1.01 -1.18 -1.57 120.40 123.98 3mj5 s VAL 301 Ca 0.43 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.44 3mj5 s VAL 301 Cb 0.09 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3mj5 s VAL 301 CO -0.01 -0.03 0.00 1.07 0.00 0.00 0.00 175.10 176.13 3mj5 n THR 302 N -0.40 0.00 -3.78 3.92 5.66 0.27 -3.99 114.28 115.97 3mj5 n THR 302 Ca 0.07 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.88 3mj5 n THR 302 Cb 0.49 -0.63 -0.17 0.00 -1.55 0.00 0.00 70.33 68.47 3mj5 n THR 302 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3mj5 s ASP 303 N -2.99 0.77 -0.03 1.09 1.01 -1.17 -1.64 116.67 113.71 3mj5 s ASP 303 Ca 0.00 0.02 0.05 0.00 0.71 0.00 0.00 52.55 53.33 3mj5 s ASP 303 Cb 0.00 -0.19 -0.01 0.00 1.01 0.00 0.00 42.92 43.73 3mj5 s ASP 303 CO 0.00 -0.17 -0.18 -0.69 0.21 0.00 0.00 175.17 174.34 3mj5 s VAL 304 N 1.58 1.44 -0.04 -1.27 1.01 -0.12 -1.27 120.40 121.73 3mj5 s VAL 304 Ca -0.02 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3mj5 s VAL 304 Cb -0.13 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 3mj5 s VAL 304 CO -0.03 0.41 -0.03 -0.36 0.00 0.00 0.00 175.10 175.10 3mj5 s PHE 305 N -0.17 3.04 0.08 5.22 0.40 0.22 -0.66 117.98 126.10 3mj5 s PHE 305 Ca 0.01 0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.46 3mj5 s PHE 305 Cb -0.10 -1.71 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 3mj5 s PHE 305 CO 0.01 0.42 -0.11 0.71 0.70 0.00 0.00 175.22 176.95 3mj5 s TYR 306 N -0.95 1.03 0.38 0.36 2.02 -0.18 -0.49 117.35 119.52 3mj5 s TYR 306 Ca 0.16 -0.56 -0.14 0.00 -0.37 0.00 0.00 57.07 56.15 3mj5 s TYR 306 Cb -0.11 -0.57 -0.08 0.00 -0.40 0.00 0.00 41.96 40.79 3mj5 s TYR 306 CO 0.05 0.00 0.80 0.21 -1.57 0.00 0.00 175.55 175.05 3mj5 s LYS 307 N -2.22 3.95 0.09 -0.62 2.20 -1.26 -1.02 119.74 120.86 3mj5 s LYS 307 Ca -0.00 0.70 -0.20 0.00 -0.36 0.00 0.00 55.97 56.10 3mj5 s LYS 307 Cb -0.06 -2.35 0.05 0.00 -1.51 0.00 0.00 37.83 33.95 3mj5 s LYS 307 CO 0.01 0.02 0.49 -2.00 -0.36 0.00 0.00 175.35 173.52 3mj5 s GLU 308 N -3.40 1.09 0.01 4.03 2.56 -0.90 -4.82 118.70 117.26 3mj5 s GLU 308 Ca 0.55 -0.43 0.00 0.00 0.00 0.00 0.00 54.97 55.09 3mj5 s GLU 308 Cb -0.10 0.49 0.00 0.00 2.00 0.00 0.00 34.13 36.52 3mj5 s GLU 308 CO 0.23 -0.42 0.00 0.25 -0.56 0.00 0.00 175.26 174.76 3mj5 n THR 309 N 0.06 0.02 -3.68 -1.70 -2.24 -1.10 -3.77 114.28 101.88 3mj5 n THR 309 Ca -0.17 0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 3mj5 n THR 309 Cb 0.62 -0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 68.31 3mj5 n THR 309 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3mj5 s SER 310 N -4.47 -0.64 -0.02 3.42 0.15 -1.26 -2.93 113.70 107.95 3mj5 s SER 310 Ca 0.00 1.09 0.01 0.00 0.70 0.00 0.00 55.95 57.75 3mj5 s SER 310 Cb 0.00 0.99 0.01 0.00 -1.71 0.00 0.00 66.02 65.31 3mj5 s SER 310 CO 0.00 -0.20 -0.04 -0.47 1.20 0.00 0.00 173.24 173.72 3mj5 s TYR 311 N 1.29 0.53 0.00 3.44 5.04 0.12 -4.96 117.35 122.81 3mj5 s TYR 311 Ca -0.08 -0.11 0.01 0.00 -2.44 0.00 0.00 57.07 54.45 3mj5 s TYR 311 Cb -0.07 -0.43 -0.00 0.00 0.35 0.00 0.00 41.96 41.81 3mj5 s TYR 311 CO -0.13 -0.08 -0.03 -0.08 -1.34 0.00 0.00 175.55 173.90 3mj5 s THR 312 N 0.37 0.20 0.35 4.34 -1.32 -1.26 -0.67 115.64 117.65 3mj5 s THR 312 Ca -0.04 -0.17 -0.23 0.00 -1.21 0.00 0.00 61.69 60.05 3mj5 s THR 312 Cb -0.08 -0.19 -0.10 0.00 -1.51 0.00 0.00 72.50 70.62 3mj5 s THR 312 CO -0.00 0.02 0.90 0.28 -2.21 0.00 0.00 174.62 173.61 3mj5 s THR 313 N -0.15 4.35 0.27 5.08 -1.32 0.10 -4.99 115.64 118.99 3mj5 s THR 313 Ca -0.00 1.57 -0.24 0.00 -1.21 0.00 0.00 61.69 61.81 3mj5 s THR 313 Cb -0.02 -3.81 -0.09 0.00 -1.51 0.00 0.00 72.50 67.07 3mj5 s THR 313 CO -0.00 -0.05 0.86 -0.89 -2.21 0.00 0.00 174.62 172.33 3mj5 s THR 314 N -1.84 4.33 0.00 5.08 2.01 -1.26 -5.06 115.64 118.90 3mj5 s THR 314 Ca 0.54 1.66 0.00 0.00 0.31 0.00 0.00 61.69 64.20 3mj5 s THR 314 Cb -0.14 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.38 3mj5 s THR 314 CO 0.19 0.22 0.00 0.00 -0.69 0.00 0.00 174.62 174.34