#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjx h LEU 2 N 0.00 0.00 -1.37 2.46 3.38 -1.94 -2.21 115.31 115.63 1mjx h LEU 2 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1mjx h LEU 2 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1mjx h LEU 2 CO 0.00 0.00 -0.18 -0.07 0.09 0.00 0.00 178.44 178.28 1mjx h LEU 3 N 0.00 0.00 -0.96 1.67 3.38 -1.93 -3.14 115.31 114.34 1mjx h LEU 3 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mjx h LEU 3 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1mjx h LEU 3 CO -0.00 0.18 -0.06 0.59 0.09 0.00 0.00 178.44 179.25 1mjx n ASN 4 N -3.43 1.54 -4.77 -0.43 5.03 -0.83 -4.94 115.26 107.44 1mjx n ASN 4 Ca -0.00 -1.43 -0.41 0.00 0.87 0.00 0.00 54.58 53.61 1mjx n ASN 4 Cb 0.37 0.03 -0.02 0.00 -1.02 0.00 0.00 39.78 39.14 1mjx n ASN 4 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1mjx s VAL 5 N -2.10 2.78 0.85 2.41 1.01 -1.19 -4.99 120.40 119.15 1mjx s VAL 5 Ca 0.34 0.78 -0.11 0.00 0.00 0.00 0.00 61.98 62.99 1mjx s VAL 5 Cb 0.21 -3.50 0.10 0.00 0.00 0.00 0.00 36.38 33.19 1mjx s VAL 5 CO 0.37 0.18 1.10 -2.84 0.00 0.00 0.00 175.10 173.91 1mjx s PRO 6 N -1.78 1.66 0.28 2.72 0.02 -1.26 -4.76 135.00 131.87 1mjx s PRO 6 Ca 0.49 1.08 0.04 0.00 0.02 0.00 0.00 61.00 62.63 1mjx s PRO 6 Cb -0.39 -1.83 0.39 0.00 0.02 0.00 0.00 34.50 32.69 1mjx s PRO 6 CO 0.52 -2.04 1.67 0.00 -0.33 0.00 0.00 177.00 176.82 1mjx h ALA 7 N -1.41 1.04 0.00 -1.55 0.00 -1.90 -3.41 119.26 112.02 1mjx h ALA 7 Ca -0.46 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1mjx h ALA 7 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1mjx h ALA 7 CO 0.51 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.77 1mjx n GLY 8 N -0.15 1.65 0.16 0.00 0.00 -1.26 -1.50 105.19 104.09 1mjx n GLY 8 Ca -0.01 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 1mjx n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1mjx h LYS 9 N 0.00 0.07 -0.81 1.61 3.64 -1.78 -3.40 116.57 115.89 1mjx h LYS 9 Ca 0.00 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 1mjx h LYS 9 Cb 0.00 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 31.66 1mjx h LYS 9 CO 0.00 0.61 -0.40 0.34 -2.27 0.00 0.00 179.45 177.72 1mjx s ASP 10 N -6.88 -1.19 0.23 4.20 2.15 -0.23 -5.01 116.67 109.94 1mjx s ASP 10 Ca -0.02 -1.30 -0.30 0.00 0.43 0.00 0.00 52.55 51.36 1mjx s ASP 10 Cb 0.13 1.56 -0.10 0.00 -0.30 0.00 0.00 42.92 44.21 1mjx s ASP 10 CO 0.76 -0.06 1.43 -0.76 -0.17 0.00 0.00 175.17 176.38 1mjx s LEU 11 N 1.04 4.39 0.00 -1.34 1.43 -1.23 -0.79 118.68 122.18 1mjx s LEU 11 Ca 0.27 2.61 0.11 0.00 -1.03 0.00 0.00 54.13 56.09 1mjx s LEU 11 Cb 0.02 -3.62 0.29 0.00 0.03 0.00 0.00 46.19 42.91 1mjx s LEU 11 CO -0.07 -0.69 1.21 -0.81 0.23 0.00 0.00 176.35 176.22 1mjx n PRO 12 N 2.63 2.51 0.09 1.29 -0.04 -1.26 -4.89 135.00 135.32 1mjx n PRO 12 Ca 0.08 -1.95 -0.11 0.00 -0.04 0.00 0.00 63.50 61.48 1mjx n PRO 12 Cb 0.40 -1.28 -0.08 0.00 -0.04 0.00 0.00 33.50 32.51 1mjx n PRO 12 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1mjx h GLU 13 N 2.19 0.19 -3.77 0.54 4.57 -1.75 -3.43 114.58 113.12 1mjx h GLU 13 Ca 0.00 -0.26 -0.57 0.00 -1.18 0.00 0.00 59.36 57.35 1mjx h GLU 13 Cb 0.71 0.09 -0.40 0.00 -0.16 0.00 0.00 28.75 28.99 1mjx h GLU 13 CO 0.00 1.06 -0.76 0.34 -1.18 0.00 0.00 179.01 178.46 1mjx s ASP 14 N -6.96 3.71 0.30 1.04 2.15 0.03 -4.55 116.67 112.39 1mjx s ASP 14 Ca -0.03 -1.34 0.09 0.00 0.43 0.00 0.00 52.55 51.71 1mjx s ASP 14 Cb 0.09 -0.89 -0.06 0.00 -0.30 0.00 0.00 42.92 41.76 1mjx s ASP 14 CO 0.85 -0.35 -0.11 0.27 -0.17 0.00 0.00 175.17 175.67 1mjx s ILE 15 N 1.60 2.06 -0.12 4.11 -4.36 -1.07 -1.06 121.20 122.35 1mjx s ILE 15 Ca 0.04 -2.22 -0.05 0.00 -0.26 0.00 0.00 60.65 58.16 1mjx s ILE 15 Cb -0.18 -2.48 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 1mjx s ILE 15 CO -0.16 -0.30 0.05 -0.31 0.24 0.00 0.00 174.94 174.46 1mjx s TYR 16 N -2.75 3.27 -0.21 1.37 2.02 -0.56 -0.91 117.35 119.58 1mjx s TYR 16 Ca 0.30 0.20 -0.03 0.00 -0.37 0.00 0.00 57.07 57.17 1mjx s TYR 16 Cb 0.01 -1.91 -0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1mjx s TYR 16 CO 0.14 0.41 -0.05 0.08 -1.57 0.00 0.00 175.55 174.55 1mjx s VAL 17 N -0.48 3.32 -0.18 0.71 1.01 0.65 -4.38 120.40 121.05 1mjx s VAL 17 Ca 0.10 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 1mjx s VAL 17 Cb -0.12 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 1mjx s VAL 17 CO 0.02 0.44 1.06 -0.69 0.00 0.00 0.00 175.10 175.92 1mjx s VAL 18 N 1.37 4.65 -0.15 2.92 1.01 -0.09 -0.27 120.40 129.85 1mjx s VAL 18 Ca 0.04 1.97 -0.22 0.00 0.00 0.00 0.00 61.98 63.78 1mjx s VAL 18 Cb -0.14 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1mjx s VAL 18 CO -0.03 -0.12 0.66 -0.63 0.00 0.00 0.00 175.10 174.98 1mjx s ILE 19 N 2.85 5.03 -0.21 2.22 -1.09 -0.03 -1.38 121.20 128.59 1mjx s ILE 19 Ca 0.47 1.30 0.02 0.00 -2.23 0.00 0.00 60.65 60.21 1mjx s ILE 19 Cb -0.17 -3.98 -0.15 0.00 -1.58 0.00 0.00 42.46 36.58 1mjx s ILE 19 CO 0.11 0.17 -0.18 -0.62 -1.23 0.00 0.00 174.94 173.18 1mjx n GLU 20 N 4.54 0.57 -3.86 2.79 1.02 0.08 0.35 120.64 126.13 1mjx n GLU 20 Ca -0.01 0.12 -0.23 0.00 -0.02 0.00 0.00 57.16 57.01 1mjx n GLU 20 Cb 0.50 -1.43 -0.17 0.00 -0.02 0.00 0.00 31.44 30.32 1mjx n GLU 20 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1mjx s ILE 21 N -2.43 0.55 0.63 -3.67 1.01 -0.58 -4.51 121.20 112.20 1mjx s ILE 21 Ca -0.28 -0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.19 1mjx s ILE 21 Cb 0.07 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 1mjx s ILE 21 CO 0.51 0.28 1.18 -2.84 0.00 0.00 0.00 174.94 174.07 1mjx s PRO 22 N 1.76 2.81 0.57 2.79 0.02 -1.26 -0.42 135.00 141.26 1mjx s PRO 22 Ca 0.03 1.72 -0.21 0.00 0.02 0.00 0.00 61.00 62.56 1mjx s PRO 22 Cb -0.13 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 1mjx s PRO 22 CO -0.05 -1.30 1.33 0.00 -0.33 0.00 0.00 177.00 176.65 1mjx s ALA 23 N -1.82 2.72 -1.46 -1.55 0.00 -1.26 -3.65 121.76 114.75 1mjx s ALA 23 Ca 0.75 1.29 -0.08 0.00 0.00 0.00 0.00 51.96 53.91 1mjx s ALA 23 Cb -0.28 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.31 1mjx s ALA 23 CO 0.36 -1.39 0.91 -1.71 0.00 0.00 0.00 175.76 173.93 1mjx n ASN 24 N -1.21 -5.98 -4.97 0.00 5.15 -0.74 -4.78 115.26 102.73 1mjx n ASN 24 Ca 0.11 -0.46 -0.18 0.00 -0.60 0.00 0.00 54.58 53.45 1mjx n ASN 24 Cb 0.46 -4.77 -0.00 0.00 -0.53 0.00 0.00 39.78 34.94 1mjx n ASN 24 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mjx s ALA 25 N -3.24 4.41 0.77 5.20 0.00 -1.24 -5.04 121.76 122.61 1mjx s ALA 25 Ca 0.48 -1.74 -0.16 0.00 0.00 0.00 0.00 51.96 50.54 1mjx s ALA 25 Cb -0.22 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.40 1mjx s ALA 25 CO 0.59 -0.28 0.30 -0.25 0.00 0.00 0.00 175.76 176.12 1mjx n ASP 26 N -1.78 -2.12 -2.90 0.00 8.00 -1.26 -4.79 116.55 111.70 1mjx n ASP 26 Ca 0.07 0.51 -0.31 0.00 0.71 0.00 0.00 54.79 55.77 1mjx n ASP 26 Cb 0.60 -1.13 -0.06 0.00 -0.02 0.00 0.00 41.12 40.51 1mjx n ASP 26 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1mjx n PRO 27 N -0.29 3.31 -3.92 -0.24 -0.04 -1.26 -4.81 135.00 127.75 1mjx n PRO 27 Ca 0.08 -2.27 -0.35 0.00 -0.04 0.00 0.00 63.50 60.93 1mjx n PRO 27 Cb 0.51 -2.46 -0.14 0.00 -0.04 0.00 0.00 33.50 31.37 1mjx n PRO 27 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1mjx s ILE 28 N 0.29 3.25 -0.51 0.52 1.01 -1.26 -0.07 121.20 124.43 1mjx s ILE 28 Ca 0.63 -0.57 -0.21 0.00 0.00 0.00 0.00 60.65 60.51 1mjx s ILE 28 Cb 0.25 -2.49 0.05 0.00 0.01 0.00 0.00 42.46 40.28 1mjx s ILE 28 CO -0.08 0.41 0.70 -0.75 0.00 0.00 0.00 174.94 175.22 1mjx s LYS 29 N 1.45 3.19 0.26 2.79 2.36 0.28 -4.95 119.74 125.12 1mjx s LYS 29 Ca 0.05 -0.66 -0.05 0.00 -2.55 0.00 0.00 55.97 52.76 1mjx s LYS 29 Cb -0.14 -4.07 -0.05 0.00 -1.05 0.00 0.00 37.83 32.52 1mjx s LYS 29 CO -0.04 -1.25 0.51 0.71 1.55 0.00 0.00 175.35 176.83 1mjx s TYR 30 N 2.97 3.47 -0.05 4.03 2.02 -1.26 -0.93 117.35 127.60 1mjx s TYR 30 Ca 0.20 0.61 -0.07 0.00 -0.37 0.00 0.00 57.07 57.44 1mjx s TYR 30 Cb -0.17 -2.07 0.01 0.00 -0.40 0.00 0.00 41.96 39.33 1mjx s TYR 30 CO 0.15 0.24 0.18 -2.00 -1.57 0.00 0.00 175.55 172.55 1mjx s GLU 31 N -3.36 0.30 -0.09 -0.62 2.12 -0.32 -4.71 118.70 112.02 1mjx s GLU 31 Ca 0.43 0.09 -0.30 0.00 0.36 0.00 0.00 54.97 55.55 1mjx s GLU 31 Cb -0.11 0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.38 1mjx s GLU 31 CO 0.28 -0.05 1.40 0.42 -0.54 0.00 0.00 175.26 176.77 1mjx s ILE 32 N -0.31 3.97 0.20 -3.70 -1.09 -1.26 -0.23 121.20 118.78 1mjx s ILE 32 Ca -0.04 1.22 -0.30 0.00 -2.23 0.00 0.00 60.65 59.30 1mjx s ILE 32 Cb -0.03 -3.79 -0.09 0.00 -1.58 0.00 0.00 42.46 36.97 1mjx s ILE 32 CO 0.01 -0.08 1.41 -0.62 -1.23 0.00 0.00 174.94 174.43 1mjx s ASP 33 N 2.31 6.75 0.14 3.58 2.15 -0.11 -4.93 116.67 126.57 1mjx s ASP 33 Ca 0.62 2.52 -0.02 0.00 0.43 0.00 0.00 52.55 56.09 1mjx s ASP 33 Cb -0.27 -2.61 -0.06 0.00 -0.30 0.00 0.00 42.92 39.68 1mjx s ASP 33 CO 0.22 -0.66 1.33 0.07 -0.17 0.00 0.00 175.17 175.96 1mjx h LYS 34 N 5.71 0.34 0.19 4.34 2.10 -1.95 0.58 116.57 127.89 1mjx h LYS 34 Ca -0.44 -0.37 -0.01 0.00 -2.00 0.00 0.00 60.65 57.83 1mjx h LYS 34 Cb 1.21 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1mjx h LYS 34 CO 0.81 1.05 -0.09 0.93 -2.00 0.00 0.00 179.45 180.15 1mjx h GLU 35 N 0.20 -0.24 0.00 0.07 4.39 -1.98 -3.37 114.58 113.64 1mjx h GLU 35 Ca -0.07 0.02 -0.24 0.00 0.34 0.00 0.00 59.36 59.41 1mjx h GLU 35 Cb 1.54 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 30.20 1mjx h GLU 35 CO 0.15 0.16 -1.79 -1.13 -1.16 0.00 0.00 179.01 175.25 1mjx n SER 36 N -4.95 0.58 0.00 1.42 3.41 -1.21 -4.97 113.62 107.90 1mjx n SER 36 Ca -0.08 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1mjx n SER 36 Cb 0.26 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1mjx n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mjx n GLY 37 N 1.52 0.46 3.87 5.00 0.00 0.20 -4.96 105.19 111.28 1mjx n GLY 37 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1mjx n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjx s ALA 38 N -1.99 3.35 -0.34 4.61 0.00 -1.25 -4.72 121.76 121.43 1mjx s ALA 38 Ca 0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 51.96 51.54 1mjx s ALA 38 Cb 0.00 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 1mjx s ALA 38 CO 0.00 0.11 1.85 -1.17 0.00 0.00 0.00 175.76 176.55 1mjx s LEU 39 N -3.55 3.49 0.03 0.00 2.96 -1.26 -0.93 118.68 119.41 1mjx s LEU 39 Ca 0.52 1.30 -0.03 0.00 -0.22 0.00 0.00 54.13 55.70 1mjx s LEU 39 Cb -0.10 -3.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 1mjx s LEU 39 CO 0.27 -1.78 0.22 -0.36 -1.32 0.00 0.00 176.35 173.38 1mjx s PHE 40 N 7.19 3.54 -0.42 5.38 0.40 0.68 -4.93 117.98 129.83 1mjx s PHE 40 Ca 0.81 0.38 -0.29 0.00 -0.60 0.00 0.00 56.93 57.23 1mjx s PHE 40 Cb -0.23 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.46 1mjx s PHE 40 CO 0.33 0.61 1.36 0.08 0.70 0.00 0.00 175.22 178.29 1mjx s VAL 41 N -1.40 3.97 -0.10 -0.44 1.01 -1.26 -1.18 120.40 120.99 1mjx s VAL 41 Ca 0.31 0.99 -0.24 0.00 0.00 0.00 0.00 61.98 63.04 1mjx s VAL 41 Cb -0.13 -4.27 -0.28 0.00 0.00 0.00 0.00 36.38 31.70 1mjx s VAL 41 CO 0.22 -0.79 0.76 -0.78 0.00 0.00 0.00 175.10 174.51 1mjx h ASP 42 N 10.37 0.25 -4.91 3.32 3.58 -1.35 -3.48 116.42 124.20 1mjx h ASP 42 Ca -0.27 -0.93 0.15 0.00 0.42 0.00 0.00 57.03 56.41 1mjx h ASP 42 Cb 1.10 -0.08 -0.13 0.00 1.72 0.00 0.00 39.33 41.94 1mjx h ASP 42 CO 1.09 1.28 0.53 0.00 -2.88 0.00 0.00 179.24 179.26 1mjx s ARG 43 N -2.35 0.89 -0.29 0.28 1.70 -0.93 -5.03 118.95 113.22 1mjx s ARG 43 Ca -0.17 -0.41 -0.24 0.00 -0.47 0.00 0.00 55.73 54.44 1mjx s ARG 43 Cb 0.00 0.36 -0.00 0.00 -0.57 0.00 0.00 34.95 34.74 1mjx s ARG 43 CO 0.75 -0.40 0.81 -0.06 -1.08 0.00 0.00 175.30 175.32 1mjx s PHE 44 N -3.10 3.23 0.42 5.89 0.08 -1.26 -0.56 117.98 122.68 1mjx s PHE 44 Ca 0.08 0.91 -0.27 0.00 0.12 0.00 0.00 56.93 57.78 1mjx s PHE 44 Cb -0.01 -3.19 -0.10 0.00 -0.57 0.00 0.00 43.02 39.16 1mjx s PHE 44 CO -0.05 -0.53 1.45 -1.33 -0.10 0.00 0.00 175.22 174.67 1mjx n MET 45 N 6.17 2.44 -0.00 0.44 2.81 0.90 -4.93 117.12 124.95 1mjx n MET 45 Ca 0.04 0.86 0.09 0.00 -1.81 0.00 0.00 57.70 56.88 1mjx n MET 45 Cb 0.48 -2.64 -0.11 0.00 -0.71 0.00 0.00 33.22 30.24 1mjx n MET 45 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1mjx n SER 46 N 0.13 0.88 -4.94 7.83 3.41 -1.26 -4.90 113.62 114.77 1mjx n SER 46 Ca 0.03 -0.94 -0.24 0.00 -0.26 0.00 0.00 58.87 57.47 1mjx n SER 46 Cb 0.40 1.00 -0.00 0.00 -0.26 0.00 0.00 64.21 65.35 1mjx n SER 46 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1mjx s THR 47 N -2.76 4.70 -1.29 6.66 -4.23 -1.26 -4.94 115.64 112.52 1mjx s THR 47 Ca 0.07 -0.38 -0.09 0.00 -1.18 0.00 0.00 61.69 60.11 1mjx s THR 47 Cb 0.14 -3.73 0.16 0.00 1.34 0.00 0.00 72.50 70.41 1mjx s THR 47 CO 0.76 -0.53 1.93 0.00 -0.54 0.00 0.00 174.62 176.25 1mjx n ALA 48 N -1.96 5.49 -2.59 3.99 0.00 -1.26 -4.93 120.51 119.26 1mjx n ALA 48 Ca -0.02 -4.29 -0.17 0.00 0.00 0.00 0.00 53.44 48.97 1mjx n ALA 48 Cb 0.57 -2.99 -0.11 0.00 0.00 0.00 0.00 19.45 16.92 1mjx n ALA 48 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1mjx s MET 49 N 0.37 0.87 0.13 0.00 -1.94 -1.26 -5.17 119.30 112.30 1mjx s MET 49 Ca 0.41 -1.08 0.05 0.00 -1.71 0.00 0.00 55.69 53.36 1mjx s MET 49 Cb 0.10 -0.74 -0.04 0.00 2.01 0.00 0.00 34.83 36.16 1mjx s MET 49 CO -0.00 0.15 -0.13 -0.59 -0.01 0.00 0.00 175.02 174.43 1mjx s PHE 50 N -1.85 1.36 0.17 -0.03 -0.12 -1.26 -4.70 117.98 111.55 1mjx s PHE 50 Ca 0.03 -0.61 -0.31 0.00 -0.05 0.00 0.00 56.93 55.98 1mjx s PHE 50 Cb -0.07 -0.70 -0.09 0.00 -0.63 0.00 0.00 43.02 41.53 1mjx s PHE 50 CO 0.02 0.14 1.45 0.71 -0.05 0.00 0.00 175.22 177.49 1mjx s TYR 51 N -2.52 3.14 -0.97 3.49 1.51 -1.26 -4.86 117.35 115.87 1mjx s TYR 51 Ca 0.12 0.88 0.27 0.00 -1.01 0.00 0.00 57.07 57.32 1mjx s TYR 51 Cb -0.03 -3.79 1.12 0.00 -0.11 0.00 0.00 41.96 39.16 1mjx s TYR 51 CO 0.02 -2.75 1.86 -2.30 -1.11 0.00 0.00 175.55 171.27 1mjx n PRO 52 N 3.51 0.03 -4.10 -1.71 -0.01 -1.26 -1.80 135.00 129.66 1mjx n PRO 52 Ca 0.11 0.06 -0.10 0.00 -0.01 0.00 0.00 63.50 63.55 1mjx n PRO 52 Cb 0.41 -1.53 -0.09 0.00 -0.01 0.00 0.00 33.50 32.27 1mjx n PRO 52 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1mjx s ASN 54 N -3.05 5.90 -0.06 0.00 0.01 -0.90 -3.98 114.94 112.86 1mjx s ASN 54 Ca 0.25 2.43 0.04 0.00 -0.71 0.00 0.00 52.86 54.87 1mjx s ASN 54 Cb 0.06 -2.61 -0.00 0.00 0.41 0.00 0.00 41.25 39.11 1mjx s ASN 54 CO 0.04 -1.11 -0.19 -0.47 -1.51 0.00 0.00 177.10 173.85 1mjx s TYR 55 N -1.48 1.99 0.00 2.20 5.04 0.43 -0.28 117.35 125.26 1mjx s TYR 55 Ca 0.66 -0.66 0.00 0.00 -2.44 0.00 0.00 57.07 54.63 1mjx s TYR 55 Cb -0.32 -1.35 0.00 0.00 0.35 0.00 0.00 41.96 40.65 1mjx s TYR 55 CO 0.38 -0.25 0.00 0.41 -1.34 0.00 0.00 175.55 174.76 1mjx n GLY 56 N 3.29 2.87 3.34 8.97 0.00 -0.11 -0.74 105.19 122.80 1mjx n GLY 56 Ca -0.19 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1mjx n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mjx s TYR 57 N 0.44 0.28 -0.22 1.61 1.13 -0.48 -1.10 117.35 119.01 1mjx s TYR 57 Ca 0.00 -0.65 -0.12 0.00 -1.41 0.00 0.00 57.07 54.89 1mjx s TYR 57 Cb 0.00 0.01 -0.05 0.00 -1.10 0.00 0.00 41.96 40.82 1mjx s TYR 57 CO 0.00 -0.72 0.22 0.42 -2.51 0.00 0.00 175.55 172.97 1mjx s ILE 58 N -3.94 5.32 0.65 -3.49 1.01 -0.69 -0.91 121.20 119.16 1mjx s ILE 58 Ca 0.14 0.33 -0.14 0.00 0.00 0.00 0.00 60.65 60.98 1mjx s ILE 58 Cb 0.03 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 1mjx s ILE 58 CO -0.02 0.33 1.09 0.21 0.00 0.00 0.00 174.94 176.54 1mjx s ASN 59 N 0.99 5.30 -1.06 3.58 2.47 -1.26 -3.71 114.94 121.24 1mjx s ASN 59 Ca 0.11 1.89 -0.02 0.00 0.42 0.00 0.00 52.86 55.25 1mjx s ASN 59 Cb -0.14 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 1mjx s ASN 59 CO 0.05 -1.50 0.29 1.41 -3.72 0.00 0.00 177.10 173.63 1mjx n HIS 60 N -2.46 -1.12 -4.18 0.43 8.25 -1.26 -3.92 115.22 110.96 1mjx n HIS 60 Ca 0.09 0.25 -0.18 0.00 -0.26 0.00 0.00 57.72 57.63 1mjx n HIS 60 Cb 0.52 -3.20 -0.12 0.00 1.12 0.00 0.00 29.99 28.32 1mjx n HIS 60 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1mjx s THR 61 N -2.88 1.11 -0.10 1.59 -4.23 -1.24 -4.55 115.64 105.34 1mjx s THR 61 Ca 0.15 -1.38 -0.03 0.00 -1.18 0.00 0.00 61.69 59.24 1mjx s THR 61 Cb -0.06 -1.15 0.05 0.00 1.34 0.00 0.00 72.50 72.68 1mjx s THR 61 CO 0.18 -0.28 0.14 -0.22 -0.54 0.00 0.00 174.62 173.90 1mjx s LEU 62 N -1.89 -0.01 0.61 4.79 2.96 0.22 -3.61 118.68 121.76 1mjx s LEU 62 Ca -0.00 0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1mjx s LEU 62 Cb -0.09 0.17 0.06 0.00 0.50 0.00 0.00 46.19 46.83 1mjx s LEU 62 CO 0.02 -0.27 0.86 -0.94 -1.32 0.00 0.00 176.35 174.71 1mjx s SER 63 N 2.26 4.99 0.52 3.68 1.04 0.13 -4.54 113.70 121.79 1mjx s SER 63 Ca 0.04 -0.02 0.32 0.00 0.48 0.00 0.00 55.95 56.76 1mjx s SER 63 Cb -0.13 -0.71 1.21 0.00 0.10 0.00 0.00 66.02 66.49 1mjx s SER 63 CO -0.06 -1.38 1.92 -0.07 0.98 0.00 0.00 173.24 174.63 1mjx h LEU 64 N -0.17 0.00 -0.02 2.42 3.38 -1.99 0.50 115.31 119.43 1mjx h LEU 64 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1mjx h LEU 64 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1mjx h LEU 64 CO 0.51 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.58 1mjx n ASN 65 N -3.04 0.03 0.00 -0.43 6.94 -1.26 -4.95 115.26 112.55 1mjx n ASN 65 Ca 0.01 -1.53 0.00 0.00 -0.02 0.00 0.00 54.58 53.04 1mjx n ASN 65 Cb 0.33 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 1mjx n ASN 65 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mjx n GLY 66 N 0.74 0.44 3.37 4.83 0.00 0.17 -5.06 105.19 109.69 1mjx n GLY 66 Ca 0.12 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.95 1mjx n GLY 66 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1mjx s ASP 67 N -2.91 1.82 0.71 1.61 1.47 -1.25 -4.85 116.67 113.27 1mjx s ASP 67 Ca 0.00 -1.59 -0.16 0.00 1.18 0.00 0.00 52.55 51.98 1mjx s ASP 67 Cb 0.00 0.41 0.03 0.00 -0.34 0.00 0.00 42.92 43.02 1mjx s ASP 67 CO 0.00 -0.90 1.24 -2.16 0.68 0.00 0.00 175.17 174.02 1mjx s PRO 68 N -3.76 2.24 0.07 2.11 0.04 -1.24 0.19 135.00 134.66 1mjx s PRO 68 Ca 0.34 1.88 -0.31 0.00 0.04 0.00 0.00 61.00 62.95 1mjx s PRO 68 Cb 0.04 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.67 1mjx s PRO 68 CO 0.18 -1.79 1.63 0.08 0.04 0.00 0.00 177.00 177.14 1mjx s VAL 69 N -1.77 3.05 0.24 -0.36 1.01 -1.26 -4.74 120.40 116.56 1mjx s VAL 69 Ca 0.77 0.52 -0.10 0.00 0.00 0.00 0.00 61.98 63.17 1mjx s VAL 69 Cb -0.32 -3.34 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 1mjx s VAL 69 CO 0.43 0.00 0.57 -1.81 0.00 0.00 0.00 175.10 174.30 1mjx s ASP 70 N 2.27 6.64 0.01 3.32 1.01 -1.26 -1.70 116.67 126.96 1mjx s ASP 70 Ca 0.73 0.95 0.03 0.00 0.71 0.00 0.00 52.55 54.97 1mjx s ASP 70 Cb -0.40 -2.24 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 1mjx s ASP 70 CO 0.32 -0.09 -0.09 -0.69 0.21 0.00 0.00 175.17 174.83 1mjx s VAL 71 N -1.84 0.69 -0.20 -1.27 1.01 -0.26 -1.52 120.40 117.00 1mjx s VAL 71 Ca 0.48 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1mjx s VAL 71 Cb -0.11 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1mjx s VAL 71 CO 0.21 0.01 0.08 -0.76 0.00 0.00 0.00 175.10 174.64 1mjx s LEU 72 N -0.70 3.80 -0.21 3.92 1.43 0.77 -0.93 118.68 126.75 1mjx s LEU 72 Ca -0.00 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1mjx s LEU 72 Cb -0.06 -1.98 0.05 0.00 0.03 0.00 0.00 46.19 44.24 1mjx s LEU 72 CO 0.00 0.12 -0.06 -0.69 0.23 0.00 0.00 176.35 175.95 1mjx s VAL 73 N 0.68 1.45 0.23 -1.59 1.01 0.61 -1.62 120.40 121.17 1mjx s VAL 73 Ca 0.04 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 1mjx s VAL 73 Cb -0.13 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.50 1mjx s VAL 73 CO 0.02 0.01 1.15 -2.16 0.00 0.00 0.00 175.10 174.11 1mjx s PRO 74 N 1.45 4.56 0.15 2.72 0.04 -1.26 -2.11 135.00 140.55 1mjx s PRO 74 Ca -0.03 1.84 -0.07 0.00 0.04 0.00 0.00 61.00 62.77 1mjx s PRO 74 Cb -0.17 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 1mjx s PRO 74 CO -0.07 0.05 0.22 0.95 0.04 0.00 0.00 177.00 178.20 1mjx s THR 75 N -0.58 0.09 0.05 1.26 -4.23 -1.26 -4.39 115.64 106.58 1mjx s THR 75 Ca 0.49 -1.46 0.12 0.00 -1.18 0.00 0.00 61.69 59.66 1mjx s THR 75 Cb -0.32 -1.80 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 1mjx s THR 75 CO 0.39 -0.39 1.46 1.55 -0.54 0.00 0.00 174.62 177.09 1mjx h PRO 76 N 2.64 0.00 -5.29 3.99 0.13 -2.04 -3.44 132.00 127.99 1mjx h PRO 76 Ca -0.33 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.40 1mjx h PRO 76 Cb 1.22 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.13 1mjx h PRO 76 CO 0.52 0.66 -0.78 0.71 -0.23 0.00 0.00 178.00 178.88 1mjx s TYR 77 N -3.07 1.18 0.68 1.56 2.02 -1.26 -5.14 117.35 113.32 1mjx s TYR 77 Ca 0.02 -0.46 -0.17 0.00 -0.37 0.00 0.00 57.07 56.09 1mjx s TYR 77 Cb 0.10 -0.67 0.01 0.00 -0.40 0.00 0.00 41.96 41.00 1mjx s TYR 77 CO 0.76 0.05 1.23 -2.14 -1.57 0.00 0.00 175.55 173.88 1mjx s PRO 78 N -1.71 2.43 0.34 -1.71 0.02 -1.26 -4.98 135.00 128.12 1mjx s PRO 78 Ca -0.02 1.84 0.07 0.00 0.02 0.00 0.00 61.00 62.91 1mjx s PRO 78 Cb -0.10 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 1mjx s PRO 78 CO 0.02 -1.64 0.40 -0.51 -0.33 0.00 0.00 177.00 174.94 1mjx s LEU 79 N -4.73 3.81 0.19 -5.54 1.43 -1.26 -4.97 118.68 107.62 1mjx s LEU 79 Ca 0.77 -0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 53.25 1mjx s LEU 79 Cb -0.31 -2.53 -0.08 0.00 0.03 0.00 0.00 46.19 43.30 1mjx s LEU 79 CO 0.41 -0.40 0.93 -1.58 0.23 0.00 0.00 176.35 175.93 1mjx s GLN 80 N -4.10 4.78 0.14 1.70 2.00 -1.26 -4.46 119.66 118.46 1mjx s GLN 80 Ca 0.43 1.44 -0.35 0.00 -2.00 0.00 0.00 55.36 54.89 1mjx s GLN 80 Cb -0.08 -3.31 -0.15 0.00 0.80 0.00 0.00 33.01 30.27 1mjx s GLN 80 CO 0.29 0.43 1.44 -2.30 -0.50 0.00 0.00 175.29 174.65 1mjx n PRO 81 N 1.92 1.68 -0.48 1.67 -0.02 -1.26 -1.59 135.00 136.92 1mjx n PRO 81 Ca -0.01 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1mjx n PRO 81 Cb 0.48 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1mjx n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mjx n GLY 82 N 2.84 0.75 3.97 -1.23 0.00 0.16 -5.00 105.19 106.67 1mjx n GLY 82 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1mjx n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mjx s SER 83 N -2.56 6.21 -0.15 1.61 1.04 -0.62 -4.81 113.70 114.42 1mjx s SER 83 Ca 0.00 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1mjx s SER 83 Cb 0.00 -1.73 -0.00 0.00 0.10 0.00 0.00 66.02 64.38 1mjx s SER 83 CO 0.00 -0.22 -0.15 -0.69 0.98 0.00 0.00 173.24 173.16 1mjx s VAL 84 N -2.11 2.73 -0.07 5.02 1.01 -1.26 -0.85 120.40 124.87 1mjx s VAL 84 Ca 0.38 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1mjx s VAL 84 Cb -0.09 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 1mjx s VAL 84 CO 0.31 0.51 -0.22 -0.51 0.00 0.00 0.00 175.10 175.20 1mjx s ILE 85 N 0.79 1.84 -0.06 2.22 -1.16 0.63 -4.92 121.20 120.54 1mjx s ILE 85 Ca -0.05 -0.92 -0.30 0.00 -0.51 0.00 0.00 60.65 58.86 1mjx s ILE 85 Cb -0.15 -1.58 -0.03 0.00 0.61 0.00 0.00 42.46 41.31 1mjx s ILE 85 CO 0.00 0.51 1.14 -0.60 -2.81 0.00 0.00 174.94 173.18 1mjx s ARG 86 N 0.13 4.39 0.19 3.50 3.52 -1.26 -0.25 118.95 129.17 1mjx s ARG 86 Ca -0.10 1.59 -0.05 0.00 -0.13 0.00 0.00 55.73 57.04 1mjx s ARG 86 Cb -0.15 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 1mjx s ARG 86 CO 0.05 -0.37 0.23 0.00 -0.81 0.00 0.00 175.30 174.40 1mjx s ARG 88 N -4.07 2.42 0.35 0.00 0.52 0.79 -2.61 118.95 116.35 1mjx s ARG 88 Ca 0.29 -0.65 -0.28 0.00 -0.52 0.00 0.00 55.73 54.57 1mjx s ARG 88 Cb 0.05 -1.93 -0.10 0.00 0.52 0.00 0.00 34.95 33.49 1mjx s ARG 88 CO 0.08 0.06 1.27 -1.25 0.02 0.00 0.00 175.30 175.48 1mjx s PRO 89 N 0.64 4.27 0.00 3.54 0.04 -1.26 -1.04 135.00 141.19 1mjx s PRO 89 Ca -0.14 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1mjx s PRO 89 Cb -0.16 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1mjx s PRO 89 CO 0.04 -0.23 0.05 1.33 0.04 0.00 0.00 177.00 178.23 1mjx n VAL 90 N 0.63 0.00 -3.62 -0.36 0.24 -0.42 -4.89 118.33 109.91 1mjx n VAL 90 Ca 0.01 -0.16 0.02 0.00 -2.04 0.00 0.00 64.34 62.17 1mjx n VAL 90 Cb 0.43 1.20 -0.00 0.00 -1.47 0.00 0.00 33.84 33.99 1mjx n VAL 90 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1mjx s GLY 91 N -0.23 -0.43 -0.03 7.63 0.00 -1.07 -1.84 107.32 111.35 1mjx s GLY 91 Ca 0.00 0.74 -0.03 0.00 0.00 0.00 0.00 44.72 45.43 1mjx s GLY 91 CO 0.00 0.38 0.09 0.54 0.00 0.00 0.00 173.10 174.11 1mjx s VAL 92 N -2.30 0.01 -0.26 1.40 0.11 -0.30 -1.54 120.40 117.52 1mjx s VAL 92 Ca 0.15 -0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 59.06 1mjx s VAL 92 Cb 0.05 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.72 1mjx s VAL 92 CO -0.05 -0.03 0.10 -0.22 -3.33 0.00 0.00 175.10 171.57 1mjx s LEU 93 N -0.05 3.62 -0.13 2.54 2.96 0.61 -0.33 118.68 127.89 1mjx s LEU 93 Ca -0.01 -0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 53.64 1mjx s LEU 93 Cb -0.01 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1mjx s LEU 93 CO 0.00 -0.05 0.11 -0.54 -1.32 0.00 0.00 176.35 174.55 1mjx s LYS 94 N 1.64 3.51 0.25 1.98 -0.14 -0.23 -0.05 119.74 126.70 1mjx s LYS 94 Ca 0.06 -0.21 -0.12 0.00 -1.36 0.00 0.00 55.97 54.34 1mjx s LYS 94 Cb -0.15 -3.15 -0.01 0.00 -1.68 0.00 0.00 37.83 32.84 1mjx s LYS 94 CO 0.05 0.65 0.46 0.00 -0.76 0.00 0.00 175.35 175.76 1mjx s MET 95 N -0.68 1.54 -0.00 1.68 0.23 -0.49 -0.28 119.30 121.29 1mjx s MET 95 Ca 0.13 -1.27 0.04 0.00 -1.03 0.00 0.00 55.69 53.56 1mjx s MET 95 Cb -0.12 0.46 -0.01 0.00 -1.53 0.00 0.00 34.83 33.63 1mjx s MET 95 CO 0.02 -0.63 -0.14 0.99 -2.03 0.00 0.00 175.02 173.23 1mjx s THR 96 N -4.01 1.11 0.00 3.16 2.01 0.04 -0.31 115.64 117.64 1mjx s THR 96 Ca 0.23 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.57 1mjx s THR 96 Cb -0.00 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.57 1mjx s THR 96 CO 0.09 0.27 0.00 -0.90 -0.69 0.00 0.00 174.62 173.39 1mjx n ASP 97 N 2.60 0.64 0.17 3.53 5.68 0.18 -0.04 116.55 129.31 1mjx n ASP 97 Ca -0.15 -0.73 0.12 0.00 -0.50 0.00 0.00 54.79 53.54 1mjx n ASP 97 Cb 0.55 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.70 1mjx n ASP 97 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1mjx h GLU 98 N 0.00 0.00 -0.00 0.11 9.09 -1.88 -1.61 114.58 120.29 1mjx h GLU 98 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1mjx h GLU 98 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1mjx h GLU 98 CO 0.00 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.06 1mjx n ALA 99 N -2.06 2.60 0.00 1.06 0.00 -1.26 -5.06 120.51 115.79 1mjx n ALA 99 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1mjx n ALA 99 Cb 0.52 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1mjx n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mjx n GLY 100 N 0.76 0.08 3.83 0.00 0.00 -0.61 -5.04 105.19 104.21 1mjx n GLY 100 Ca 0.12 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 1mjx n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mjx s GLU 101 N 0.00 3.98 0.20 1.61 2.02 -1.26 0.50 118.70 125.75 1mjx s GLU 101 Ca 0.00 1.06 -0.12 0.00 0.02 0.00 0.00 54.97 55.93 1mjx s GLU 101 Cb 0.00 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 32.09 1mjx s GLU 101 CO 0.00 -0.24 0.39 0.34 0.02 0.00 0.00 175.26 175.77 1mjx s ASP 102 N -2.66 -0.07 -0.11 -0.19 2.15 0.58 -4.86 116.67 111.51 1mjx s ASP 102 Ca 0.61 -0.80 -0.11 0.00 0.43 0.00 0.00 52.55 52.68 1mjx s ASP 102 Cb -0.11 0.51 0.03 0.00 -0.30 0.00 0.00 42.92 43.06 1mjx s ASP 102 CO 0.25 -1.00 0.30 0.00 -0.17 0.00 0.00 175.17 174.55 1mjx s ALA 103 N -3.96 -0.75 -0.13 3.66 0.00 -1.26 -1.40 121.76 117.92 1mjx s ALA 103 Ca 0.17 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1mjx s ALA 103 Cb 0.01 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.69 1mjx s ALA 103 CO 0.02 -0.15 -0.12 0.15 0.00 0.00 0.00 175.76 175.66 1mjx s LYS 104 N 0.07 2.07 0.57 0.00 -0.14 0.93 -4.66 119.74 118.58 1mjx s LYS 104 Ca -0.01 -0.47 -0.14 0.00 -1.36 0.00 0.00 55.97 53.98 1mjx s LYS 104 Cb -0.02 -1.93 -0.05 0.00 -1.68 0.00 0.00 37.83 34.14 1mjx s LYS 104 CO 0.01 -0.22 1.02 -0.51 -0.76 0.00 0.00 175.35 174.88 1mjx s LEU 105 N 1.49 3.45 -0.11 3.17 1.43 -0.58 -0.28 118.68 127.25 1mjx s LEU 105 Ca 0.04 1.58 0.03 0.00 -1.03 0.00 0.00 54.13 54.74 1mjx s LEU 105 Cb -0.13 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.60 1mjx s LEU 105 CO -0.09 -0.84 -0.21 -0.69 0.23 0.00 0.00 176.35 174.75 1mjx s VAL 106 N -2.78 1.88 -0.00 -1.59 1.01 -0.59 -0.17 120.40 118.16 1mjx s VAL 106 Ca 0.59 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1mjx s VAL 106 Cb -0.12 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1mjx s VAL 106 CO 0.40 0.52 -0.07 0.00 0.00 0.00 0.00 175.10 175.96 1mjx s ALA 107 N 0.66 0.54 0.33 5.51 0.00 -0.64 -1.30 121.76 126.85 1mjx s ALA 107 Ca -0.12 -0.31 0.08 0.00 0.00 0.00 0.00 51.96 51.61 1mjx s ALA 107 Cb -0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1mjx s ALA 107 CO 0.03 0.12 0.22 0.14 0.00 0.00 0.00 175.76 176.27 1mjx s VAL 108 N -0.23 3.41 0.30 0.00 -7.23 -0.21 -4.09 120.40 112.35 1mjx s VAL 108 Ca 0.02 -1.51 -0.29 0.00 -1.81 0.00 0.00 61.98 58.38 1mjx s VAL 108 Cb -0.03 -3.11 -0.10 0.00 0.56 0.00 0.00 36.38 33.69 1mjx s VAL 108 CO -0.00 -0.20 1.43 -2.84 -0.31 0.00 0.00 175.10 173.18 1mjx s PRO 109 N -3.92 4.24 0.74 4.82 0.02 -1.26 -0.15 135.00 139.50 1mjx s PRO 109 Ca 0.39 2.37 -0.15 0.00 0.02 0.00 0.00 61.00 63.62 1mjx s PRO 109 Cb -0.05 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.44 1mjx s PRO 109 CO 0.25 -0.41 1.05 1.58 -0.33 0.00 0.00 177.00 179.14 1mjx n HIS 110 N 1.52 0.91 0.24 6.54 -0.00 -0.05 -4.68 115.22 119.70 1mjx n HIS 110 Ca 0.04 0.40 0.15 0.00 0.46 0.00 0.00 57.72 58.76 1mjx n HIS 110 Cb 0.40 -2.10 0.82 0.00 -0.12 0.00 0.00 29.99 28.99 1mjx n HIS 110 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1mjx h SER 111 N -0.36 0.00 0.81 0.26 4.64 -1.91 -0.18 113.55 116.81 1mjx h SER 111 Ca -0.47 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 1mjx h SER 111 Cb 1.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1mjx h SER 111 CO 0.47 0.00 -0.14 0.11 -0.87 0.00 0.00 176.83 176.40 1mjx h LYS 112 N 0.00 0.00 0.01 4.77 1.57 -1.95 -3.13 116.57 117.84 1mjx h LYS 112 Ca 0.05 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.55 1mjx h LYS 112 Cb 0.25 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1mjx h LYS 112 CO -0.00 0.14 -1.60 -0.07 -0.57 0.00 0.00 179.45 177.35 1mjx h LEU 113 N 0.00 0.03 -7.00 2.94 4.07 -1.37 -3.49 115.31 110.49 1mjx h LEU 113 Ca -0.00 -0.06 0.18 0.00 0.08 0.00 0.00 57.88 58.09 1mjx h LEU 113 Cb 0.58 -0.01 -0.32 0.00 1.08 0.00 0.00 40.66 41.99 1mjx h LEU 113 CO 0.02 1.05 0.75 -0.55 -1.08 0.00 0.00 178.44 178.63 1mjx s SER 114 N -6.26 -0.12 0.00 -0.43 0.15 -1.13 -5.04 113.70 100.88 1mjx s SER 114 Ca -0.05 0.21 0.25 0.00 0.70 0.00 0.00 55.95 57.06 1mjx s SER 114 Cb 0.08 0.68 0.43 0.00 -1.71 0.00 0.00 66.02 65.50 1mjx s SER 114 CO 0.82 -0.03 1.36 0.29 1.20 0.00 0.00 173.24 176.88 1mjx n LYS 115 N 2.51 0.89 0.06 5.44 4.01 -1.26 -4.03 118.16 125.77 1mjx n LYS 115 Ca -0.14 -0.62 0.07 0.00 -0.51 0.00 0.00 58.31 57.11 1mjx n LYS 115 Cb 0.57 -1.49 0.33 0.00 -0.51 0.00 0.00 35.03 33.93 1mjx n LYS 115 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1mjx n GLU 116 N -0.51 0.07 0.00 1.97 1.02 -1.26 -2.02 120.64 119.90 1mjx n GLU 116 Ca 0.10 0.42 0.01 0.00 -0.02 0.00 0.00 57.16 57.67 1mjx n GLU 116 Cb 0.39 -1.67 0.01 0.00 -0.02 0.00 0.00 31.44 30.14 1mjx n GLU 116 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1mjx n TYR 117 N -1.81 0.00 -0.25 -0.32 4.01 -1.26 -4.70 117.16 112.83 1mjx n TYR 117 Ca 0.02 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.92 1mjx n TYR 117 Cb 0.12 0.00 0.47 0.00 -0.31 0.00 0.00 39.34 39.62 1mjx n TYR 117 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1mjx h ASP 118 N 0.32 0.48 0.00 7.72 5.19 -1.68 -0.07 116.42 128.39 1mjx h ASP 118 Ca 0.00 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1mjx h ASP 118 Cb 0.07 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1mjx h ASP 118 CO 0.00 0.21 0.00 0.00 -3.12 0.00 0.00 179.24 176.33 1mjx n HIS 119 N -4.54 0.00 -3.44 4.55 1.44 -1.26 -4.64 115.22 107.33 1mjx n HIS 119 Ca 0.19 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.46 1mjx n HIS 119 Cb 0.62 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.65 1mjx n HIS 119 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1mjx s ILE 120 N -2.00 5.09 -0.02 0.61 1.01 -0.04 -4.85 121.20 120.99 1mjx s ILE 120 Ca 0.37 -0.99 0.08 0.00 0.00 0.00 0.00 60.65 60.11 1mjx s ILE 120 Cb 0.17 -3.98 -0.12 0.00 0.01 0.00 0.00 42.46 38.53 1mjx s ILE 120 CO 0.28 -0.48 0.18 0.29 0.00 0.00 0.00 174.94 175.21 1mjx n LYS 121 N 5.15 0.38 -3.83 2.79 4.76 -1.26 -5.01 118.16 121.14 1mjx n LYS 121 Ca -0.12 -0.07 -0.08 0.00 -2.87 0.00 0.00 58.31 55.17 1mjx n LYS 121 Cb 0.45 -1.18 0.01 0.00 -1.84 0.00 0.00 35.03 32.47 1mjx n LYS 121 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1mjx s ASP 122 N -2.88 -0.05 0.30 4.39 -1.08 -1.26 -4.80 116.67 111.29 1mjx s ASP 122 Ca -0.03 -1.01 0.06 0.00 -0.52 0.00 0.00 52.55 51.06 1mjx s ASP 122 Cb 0.05 0.82 0.47 0.00 -1.46 0.00 0.00 42.92 42.80 1mjx s ASP 122 CO 0.33 -1.59 1.72 1.62 0.52 0.00 0.00 175.17 177.77 1mjx h VAL 123 N 2.00 1.29 0.00 1.11 3.04 -1.67 0.74 116.25 122.77 1mjx h VAL 123 Ca -0.29 -1.43 0.00 0.00 -1.01 0.00 0.00 66.70 63.97 1mjx h VAL 123 Cb 1.25 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 32.14 1mjx h VAL 123 CO 0.36 0.43 0.00 -0.46 -1.01 0.00 0.00 177.57 176.89 1mjx n ASN 124 N -4.06 0.00 0.05 3.17 6.94 -1.26 -3.35 115.26 116.74 1mjx n ASN 124 Ca -0.01 0.34 -0.06 0.00 -0.02 0.00 0.00 54.58 54.83 1mjx n ASN 124 Cb 0.45 -0.44 -0.11 0.00 -2.36 0.00 0.00 39.78 37.32 1mjx n ASN 124 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1mjx h ASP 125 N 0.00 0.00 -1.30 0.53 3.32 -1.22 -3.47 116.42 114.28 1mjx h ASP 125 Ca 0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 1mjx h ASP 125 Cb 0.34 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.98 1mjx h ASP 125 CO 0.00 0.95 -0.15 0.18 -1.72 0.00 0.00 179.24 178.50 1mjx n LEU 126 N -3.25 -0.11 -4.63 1.55 4.77 -1.21 -4.87 117.00 109.25 1mjx n LEU 126 Ca -0.04 1.14 -0.53 0.00 -0.03 0.00 0.00 56.01 56.55 1mjx n LEU 126 Cb 0.95 -1.02 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 1mjx n LEU 126 CO 0.46 -2.22 1.03 -0.81 -1.33 0.00 0.00 177.39 174.52 1mjx n PRO 127 N 1.28 1.18 -0.27 3.23 -0.05 -1.26 -4.89 135.00 134.23 1mjx n PRO 127 Ca 0.17 0.43 0.08 0.00 -0.05 0.00 0.00 63.50 64.13 1mjx n PRO 127 Cb 0.20 -2.09 0.21 0.00 -0.05 0.00 0.00 33.50 31.77 1mjx n PRO 127 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 175.50 176.94 1mjx h GLU 128 N 5.38 0.17 -0.53 0.54 4.22 -1.93 -2.15 114.58 120.28 1mjx h GLU 128 Ca -0.47 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.96 1mjx h GLU 128 Cb 1.33 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 1mjx h GLU 128 CO 0.83 0.11 0.33 1.25 -2.18 0.00 0.00 179.01 179.36 1mjx h LEU 129 N 0.17 0.62 -0.50 1.64 5.85 -2.00 -1.92 115.31 119.18 1mjx h LEU 129 Ca 0.46 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.17 1mjx h LEU 129 Cb 0.85 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1mjx h LEU 129 CO -0.63 0.48 0.29 0.25 -0.34 0.00 0.00 178.44 178.49 1mjx h LEU 130 N 0.71 0.45 -0.21 2.25 5.85 -1.77 -0.79 115.31 121.81 1mjx h LEU 130 Ca 0.19 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1mjx h LEU 130 Cb -0.04 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1mjx h LEU 130 CO -0.04 0.32 0.07 0.11 -0.34 0.00 0.00 178.44 178.56 1mjx h LYS 131 N 0.57 0.16 -0.97 1.25 1.57 -1.38 -0.28 116.57 117.49 1mjx h LYS 131 Ca 0.21 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.07 1mjx h LYS 131 Cb 0.05 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.25 1mjx h LYS 131 CO -0.11 0.10 0.62 0.00 -0.57 0.00 0.00 179.45 179.50 1mjx h ALA 132 N 1.13 1.51 -0.15 3.86 0.00 -0.93 -1.67 119.26 123.01 1mjx h ALA 132 Ca 0.09 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 1mjx h ALA 132 Cb 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1mjx h ALA 132 CO -0.10 0.31 -0.70 1.96 0.00 0.00 0.00 179.25 180.72 1mjx h GLN 133 N 1.04 0.62 0.06 0.00 4.20 -0.53 -0.87 115.11 119.63 1mjx h GLN 133 Ca 0.44 -0.48 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1mjx h GLN 133 Cb 0.33 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1mjx h GLN 133 CO -0.20 1.10 -0.03 0.82 -0.67 0.00 0.00 178.83 179.85 1mjx h ILE 134 N 0.44 1.06 -0.31 2.54 2.04 -0.94 0.18 117.51 122.53 1mjx h ILE 134 Ca -0.03 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.46 1mjx h ILE 134 Cb 1.29 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.67 1mjx h ILE 134 CO 0.13 0.10 0.06 0.00 0.00 0.00 0.00 178.15 178.45 1mjx h ALA 135 N 0.66 0.32 -0.71 1.87 0.00 -1.27 -1.88 119.26 118.24 1mjx h ALA 135 Ca -0.01 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1mjx h ALA 135 Cb 0.23 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1mjx h ALA 135 CO 0.01 -0.34 0.33 1.25 0.00 0.00 0.00 179.25 180.50 1mjx h HIS 136 N 0.18 1.02 0.09 0.00 -0.00 -1.03 -2.13 115.15 113.27 1mjx h HIS 136 Ca 0.14 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 1mjx h HIS 136 Cb 0.15 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.24 1mjx h HIS 136 CO -0.17 0.75 -0.04 0.35 -0.00 0.00 0.00 177.93 178.81 1mjx h PHE 137 N 1.01 -0.11 0.00 5.26 3.57 0.10 -2.58 116.94 124.19 1mjx h PHE 137 Ca 0.25 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1mjx h PHE 137 Cb 0.12 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 1mjx h PHE 137 CO 0.01 -0.02 -0.02 0.74 -2.23 0.00 0.00 178.31 176.80 1mjx h PHE 138 N -0.18 0.00 0.00 0.41 0.04 -1.18 0.72 116.94 116.75 1mjx h PHE 138 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1mjx h PHE 138 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1mjx h PHE 138 CO -0.05 0.02 -0.22 0.39 -0.60 0.00 0.00 178.31 177.84 1mjx n GLU 139 N -4.42 0.07 0.00 1.51 1.02 -0.82 -4.27 120.64 113.72 1mjx n GLU 139 Ca -0.03 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1mjx n GLU 139 Cb 0.10 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1mjx n GLU 139 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1mjx n HIS 140 N -1.67 0.00 0.27 -0.32 8.25 -0.74 -4.68 115.22 116.33 1mjx n HIS 140 Ca 0.06 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.67 1mjx n HIS 140 Cb 0.36 0.00 0.72 0.00 1.12 0.00 0.00 29.99 32.19 1mjx n HIS 140 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 1mjx h TYR 141 N 0.00 0.00 -0.51 4.41 -0.00 -1.07 -2.45 116.97 117.35 1mjx h TYR 141 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1mjx h TYR 141 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1mjx h TYR 141 CO 0.00 0.08 0.00 1.63 -0.00 0.00 0.00 178.16 179.87 1mjx n LYS 142 N -3.31 4.34 0.21 0.10 5.02 -1.26 -4.38 118.16 118.88 1mjx n LYS 142 Ca -0.01 -3.06 0.05 0.00 -2.02 0.00 0.00 58.31 53.28 1mjx n LYS 142 Cb 0.28 -2.13 0.46 0.00 -0.02 0.00 0.00 35.03 33.62 1mjx n LYS 142 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1mjx h ASP 143 N 3.52 0.00 -0.57 4.39 3.32 -1.72 -0.23 116.42 125.13 1mjx h ASP 143 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1mjx h ASP 143 Cb 1.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.35 1mjx h ASP 143 CO 0.40 0.28 0.00 0.18 -1.72 0.00 0.00 179.24 178.39 1mjx n LEU 144 N -4.00 5.04 -4.43 1.55 4.77 -1.26 -4.79 117.00 113.88 1mjx n LEU 144 Ca -0.02 -2.55 -0.41 0.00 -0.03 0.00 0.00 56.01 53.00 1mjx n LEU 144 Cb 0.35 -0.63 -0.11 0.00 -2.33 0.00 0.00 43.42 40.70 1mjx n LEU 144 CO 0.36 0.67 -0.14 -1.61 -1.33 0.00 0.00 177.39 175.35 1mjx s GLU 145 N -2.30 3.05 0.20 3.23 2.02 -0.10 -5.01 118.70 119.80 1mjx s GLU 145 Ca 0.50 -0.94 -0.32 0.00 0.02 0.00 0.00 54.97 54.23 1mjx s GLU 145 Cb 0.36 -3.78 -0.11 0.00 0.10 0.00 0.00 34.13 30.69 1mjx s GLU 145 CO 0.18 -0.63 1.68 0.15 0.02 0.00 0.00 175.26 176.66 1mjx s LYS 146 N 1.62 4.15 0.00 1.61 1.02 -1.26 -1.95 119.74 124.93 1mjx s LYS 146 Ca 0.04 2.54 0.00 0.00 0.02 0.00 0.00 55.97 58.57 1mjx s LYS 146 Cb -0.18 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 1mjx s LYS 146 CO 0.08 -0.71 0.00 0.41 -0.92 0.00 0.00 175.35 174.21 1mjx n GLY 147 N 3.83 1.55 3.26 -3.33 0.00 -1.26 -5.04 105.19 104.20 1mjx n GLY 147 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1mjx n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mjx s LYS 148 N -0.13 3.17 0.07 1.61 -0.14 -0.82 -4.85 119.74 118.65 1mjx s LYS 148 Ca 0.00 -0.79 0.01 0.00 -1.36 0.00 0.00 55.97 53.83 1mjx s LYS 148 Cb 0.00 -2.51 -0.04 0.00 -1.68 0.00 0.00 37.83 33.60 1mjx s LYS 148 CO 0.00 0.09 -0.05 1.67 -0.76 0.00 0.00 175.35 176.30 1mjx s TRP 149 N 0.61 0.67 -0.02 3.18 1.48 -1.26 -4.71 118.94 118.89 1mjx s TRP 149 Ca -0.10 -0.89 0.01 0.00 -1.06 0.00 0.00 56.10 54.05 1mjx s TRP 149 Cb -0.16 -0.43 0.02 0.00 -1.16 0.00 0.00 33.47 31.74 1mjx s TRP 149 CO 0.03 -0.23 -0.01 0.08 -4.06 0.00 0.00 176.95 172.76 1mjx s VAL 150 N -3.30 0.20 -0.12 -0.66 1.01 -1.26 -3.34 120.40 112.92 1mjx s VAL 150 Ca 0.05 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1mjx s VAL 150 Cb 0.03 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.17 1mjx s VAL 150 CO -0.06 0.12 -0.14 -0.75 0.00 0.00 0.00 175.10 174.27 1mjx s LYS 151 N 0.70 2.18 -0.03 2.72 2.20 0.94 -4.75 119.74 123.69 1mjx s LYS 151 Ca -0.07 -0.53 -0.23 0.00 -0.36 0.00 0.00 55.97 54.78 1mjx s LYS 151 Cb -0.10 -1.93 -0.04 0.00 -1.51 0.00 0.00 37.83 34.25 1mjx s LYS 151 CO -0.01 -0.14 0.69 0.08 -0.36 0.00 0.00 175.35 175.61 1mjx s VAL 152 N 1.21 4.96 -0.24 4.02 1.01 -1.26 -0.78 120.40 129.32 1mjx s VAL 152 Ca -0.02 1.44 -0.03 0.00 0.00 0.00 0.00 61.98 63.37 1mjx s VAL 152 Cb -0.14 -4.03 -0.14 0.00 0.00 0.00 0.00 36.38 32.07 1mjx s VAL 152 CO -0.05 0.31 -0.25 -0.62 0.00 0.00 0.00 175.10 174.49 1mjx n GLU 153 N 3.39 0.58 -3.70 2.72 -0.58 0.61 -4.95 120.64 118.70 1mjx n GLU 153 Ca -0.03 0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 1mjx n GLU 153 Cb 0.51 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 1mjx n GLU 153 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mjx n GLY 154 N 2.06 -1.89 3.96 0.62 0.00 -1.10 -4.99 105.19 103.86 1mjx n GLY 154 Ca -0.45 -1.17 -0.22 0.00 0.00 0.00 0.00 46.02 44.19 1mjx n GLY 154 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mjx s TRP 155 N -2.48 3.40 0.10 1.61 0.52 -1.26 -1.07 118.94 119.75 1mjx s TRP 155 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 56.10 56.19 1mjx s TRP 155 Cb 0.00 -1.77 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 1mjx s TRP 155 CO 0.00 0.23 -0.03 -1.21 0.02 0.00 0.00 176.95 175.97 1mjx s GLU 156 N -4.14 0.81 0.61 4.98 2.02 0.55 -4.91 118.70 118.62 1mjx s GLU 156 Ca 0.38 -1.34 -0.10 0.00 0.02 0.00 0.00 54.97 53.93 1mjx s GLU 156 Cb -0.09 -0.01 0.14 0.00 0.10 0.00 0.00 34.13 34.26 1mjx s GLU 156 CO 0.32 -0.10 0.83 0.27 0.02 0.00 0.00 175.26 176.60 1mjx n ASN 157 N -0.03 0.10 -0.09 -0.19 0.23 -1.26 -1.15 115.26 112.87 1mjx n ASN 157 Ca -0.11 -1.32 -0.04 0.00 -0.53 0.00 0.00 54.58 52.58 1mjx n ASN 157 Cb 0.62 -0.63 0.18 0.00 -2.08 0.00 0.00 39.78 37.87 1mjx n ASN 157 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mjx h ALA 158 N -1.81 1.14 -0.43 -2.53 0.00 -1.84 -2.63 119.26 111.15 1mjx h ALA 158 Ca -0.27 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 1mjx h ALA 158 Cb 0.75 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1mjx h ALA 158 CO 0.19 0.55 0.13 0.93 0.00 0.00 0.00 179.25 181.05 1mjx h GLU 159 N 0.69 0.68 -0.10 0.00 4.39 -1.92 0.13 114.58 118.45 1mjx h GLU 159 Ca 0.14 -0.15 0.03 0.00 0.34 0.00 0.00 59.36 59.71 1mjx h GLU 159 Cb 0.44 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1mjx h GLU 159 CO 0.02 0.67 0.08 0.00 -1.16 0.00 0.00 179.01 178.62 1mjx h ALA 160 N 0.98 1.92 0.15 3.43 0.00 -1.83 -2.68 119.26 121.25 1mjx h ALA 160 Ca 0.14 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.79 1mjx h ALA 160 Cb 0.28 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.10 1mjx h ALA 160 CO -0.00 -0.13 -1.09 0.00 0.00 0.00 0.00 179.25 178.03 1mjx h ALA 161 N 1.93 -0.08 -0.36 0.00 0.00 -0.94 -2.39 119.26 117.42 1mjx h ALA 161 Ca 0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 1mjx h ALA 161 Cb 0.21 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1mjx h ALA 161 CO -0.00 0.54 0.14 0.87 0.00 0.00 0.00 179.25 180.79 1mjx h LYS 162 N -0.03 0.51 -0.11 0.00 1.57 -0.62 -2.54 116.57 115.34 1mjx h LYS 162 Ca -0.18 -0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.32 1mjx h LYS 162 Cb 1.83 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 34.05 1mjx h LYS 162 CO 0.21 0.43 -0.77 0.00 -0.57 0.00 0.00 179.45 178.74 1mjx h ALA 163 N 1.65 0.24 -0.93 3.86 0.00 -1.33 -1.47 119.26 121.28 1mjx h ALA 163 Ca 0.13 -0.60 0.06 0.00 0.00 0.00 0.00 54.91 54.49 1mjx h ALA 163 Cb 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1mjx h ALA 163 CO -0.01 0.62 0.60 1.49 0.00 0.00 0.00 179.25 181.95 1mjx h GLU 164 N 0.42 1.06 -0.00 0.00 4.57 -1.25 0.12 114.58 119.50 1mjx h GLU 164 Ca -0.07 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1mjx h GLU 164 Cb 1.41 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1mjx h GLU 164 CO 0.16 0.70 -0.00 0.82 -1.18 0.00 0.00 179.01 179.51 1mjx h ILE 165 N 1.10 1.40 -0.31 2.32 2.04 -1.03 -0.52 117.51 122.50 1mjx h ILE 165 Ca 0.39 -1.18 0.07 0.00 1.00 0.00 0.00 64.86 65.14 1mjx h ILE 165 Cb 0.13 2.19 -0.07 0.00 -0.74 0.00 0.00 36.82 38.33 1mjx h ILE 165 CO -0.14 0.31 -0.17 0.58 0.00 0.00 0.00 178.15 178.73 1mjx h VAL 166 N -0.49 0.50 -0.82 1.67 2.07 -1.20 0.18 116.25 118.16 1mjx h VAL 166 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1mjx h VAL 166 Cb 0.51 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1mjx h VAL 166 CO 0.00 0.00 0.52 0.00 0.02 0.00 0.00 177.57 178.11 1mjx h ALA 167 N 1.09 1.10 0.00 1.67 0.00 -0.70 -0.43 119.26 121.99 1mjx h ALA 167 Ca 0.16 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1mjx h ALA 167 Cb 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1mjx h ALA 167 CO -0.39 0.30 -0.68 0.77 0.00 0.00 0.00 179.25 179.25 1mjx h SER 168 N 0.98 0.00 0.08 0.00 0.02 -0.71 -1.56 113.55 112.36 1mjx h SER 168 Ca 0.34 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1mjx h SER 168 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1mjx h SER 168 CO -0.14 0.33 -0.04 0.15 -1.14 0.00 0.00 176.83 176.00 1mjx h PHE 169 N 0.00 -0.09 -0.68 3.45 3.57 0.03 0.73 116.94 123.94 1mjx h PHE 169 Ca -0.04 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.55 1mjx h PHE 169 Cb 1.29 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.99 1mjx h PHE 169 CO 0.00 0.34 0.33 0.93 -2.23 0.00 0.00 178.31 177.68 1mjx h GLU 170 N -0.57 0.55 0.00 1.11 4.39 -1.07 -0.75 114.58 118.25 1mjx h GLU 170 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1mjx h GLU 170 Cb 0.48 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1mjx h GLU 170 CO 0.02 0.36 0.00 -0.09 -1.16 0.00 0.00 179.01 178.14 1mjx h ARG 171 N 0.56 0.00 0.09 2.33 2.43 -1.28 -1.96 114.38 116.55 1mjx h ARG 171 Ca 0.33 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.25 1mjx h ARG 171 Cb 0.35 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1mjx h ARG 171 CO -0.27 0.00 -1.15 0.00 -1.51 0.00 0.00 179.97 177.05 1mjx h ALA 172 N 2.21 0.19 -3.00 2.80 0.00 -0.85 -3.40 119.26 117.21 1mjx h ALA 172 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1mjx h ALA 172 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1mjx h ALA 172 CO 0.00 0.99 0.00 1.63 0.00 0.00 0.00 179.25 181.87 1mjx n LYS 173 N -3.54 0.00 -1.53 0.00 5.02 -0.78 -4.68 118.16 112.65 1mjx n LYS 173 Ca -0.07 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.93 1mjx n LYS 173 Cb 0.97 -0.41 -0.12 0.00 -0.02 0.00 0.00 35.03 35.46 1mjx n LYS 173 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1mjx n ASN 174 N -0.41 0.76 0.00 4.39 3.02 -0.93 -5.14 115.26 116.95 1mjx n ASN 174 Ca 0.00 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 1mjx n ASN 174 Cb 0.00 -1.18 0.00 0.00 -0.61 0.00 0.00 39.78 37.99 1mjx n ASN 174 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93