#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mrl n GLY 2 N 0.00 -3.27 3.72 -5.12 0.00 -1.26 -5.01 105.19 94.24 1mrl n GLY 2 Ca 0.00 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.63 1mrl n GLY 2 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1mrl s PRO 3 N -0.59 1.45 -0.33 1.61 0.02 -1.26 -4.97 135.00 130.93 1mrl s PRO 3 Ca 0.00 1.02 -0.28 0.00 0.02 0.00 0.00 61.00 61.76 1mrl s PRO 3 Cb 0.00 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.72 1mrl s PRO 3 CO 0.00 -2.16 1.02 1.21 -0.33 0.00 0.00 177.00 176.74 1mrl s ASN 4 N -3.28 6.86 0.00 2.53 3.84 -1.26 -4.90 114.94 118.72 1mrl s ASN 4 Ca 0.63 0.92 0.01 0.00 0.21 0.00 0.00 52.86 54.64 1mrl s ASN 4 Cb -0.19 -2.52 0.06 0.00 -0.55 0.00 0.00 41.25 38.05 1mrl s ASN 4 CO 0.57 -0.86 0.92 -2.65 -2.79 0.00 0.00 177.10 172.29 1mrl n PRO 5 N 6.81 0.01 -0.36 0.43 -0.02 -1.26 -1.83 135.00 138.78 1mrl n PRO 5 Ca 0.10 0.36 0.07 0.00 -2.02 0.00 0.00 63.50 62.01 1mrl n PRO 5 Cb 0.47 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.64 1mrl n PRO 5 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1mrl n MET 6 N -1.37 1.79 -3.81 -0.52 2.81 -1.26 -4.64 117.12 110.11 1mrl n MET 6 Ca 0.00 -2.87 -0.36 0.00 -1.81 0.00 0.00 57.70 52.66 1mrl n MET 6 Cb 0.01 -1.65 -0.12 0.00 -0.71 0.00 0.00 33.22 30.75 1mrl n MET 6 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1mrl s LYS 7 N -2.99 3.65 0.23 0.03 2.20 -0.76 -4.94 119.74 117.16 1mrl s LYS 7 Ca 0.37 -0.48 -0.07 0.00 -0.36 0.00 0.00 55.97 55.43 1mrl s LYS 7 Cb 0.33 -3.27 0.39 0.00 -1.51 0.00 0.00 37.83 33.76 1mrl s LYS 7 CO 0.02 -0.15 1.72 0.52 -0.36 0.00 0.00 175.35 177.10 1mrl h MET 8 N 8.08 0.36 -3.49 4.03 2.86 -1.90 -3.26 114.93 121.61 1mrl h MET 8 Ca -0.38 -0.02 -0.65 0.00 -2.06 0.00 0.00 59.70 56.59 1mrl h MET 8 Cb 1.17 -0.08 -0.40 0.00 0.06 0.00 0.00 31.60 32.35 1mrl h MET 8 CO 0.59 0.24 -0.61 0.71 1.06 0.00 0.00 176.91 178.89 1mrl s TYR 9 N -6.06 3.24 0.35 -0.22 1.51 -1.26 -1.43 117.35 113.48 1mrl s TYR 9 Ca -0.13 -3.13 0.06 0.00 -1.01 0.00 0.00 57.07 52.86 1mrl s TYR 9 Cb 0.19 -2.86 0.65 0.00 -0.11 0.00 0.00 41.96 39.83 1mrl s TYR 9 CO 0.75 -0.76 1.87 -1.35 -1.11 0.00 0.00 175.55 174.95 1mrl h PRO 10 N 6.61 0.41 -4.72 -1.71 0.11 -1.74 -3.42 132.00 127.55 1mrl h PRO 10 Ca -0.07 -0.10 -0.68 0.00 0.11 0.00 0.00 66.00 65.26 1mrl h PRO 10 Cb 0.90 -0.05 -0.19 0.00 0.11 0.00 0.00 31.00 31.77 1mrl h PRO 10 CO 0.68 0.50 -0.46 0.42 -0.21 0.00 0.00 178.00 178.93 1mrl s ILE 11 N -4.82 5.28 0.09 4.15 1.01 -1.26 -4.86 121.20 120.78 1mrl s ILE 11 Ca -0.07 -0.22 -0.31 0.00 0.00 0.00 0.00 60.65 60.05 1mrl s ILE 11 Cb 0.15 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.80 1mrl s ILE 11 CO 0.76 -0.03 1.54 -1.83 0.00 0.00 0.00 174.94 175.37 1mrl s GLU 12 N 1.74 4.24 0.00 2.79 4.04 -1.26 -2.80 118.70 127.45 1mrl s GLU 12 Ca 0.06 2.23 0.00 0.00 0.04 0.00 0.00 54.97 57.30 1mrl s GLU 12 Cb -0.17 -3.42 0.00 0.00 0.02 0.00 0.00 34.13 30.55 1mrl s GLU 12 CO 0.11 -0.62 0.00 0.41 -1.84 0.00 0.00 175.26 173.31 1mrl n GLY 13 N 3.78 1.05 2.88 -3.83 0.00 -1.26 -5.04 105.19 102.78 1mrl n GLY 13 Ca 0.14 -0.51 -0.00 0.00 0.00 0.00 0.00 46.02 45.65 1mrl n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mrl s ASN 14 N -2.58 -0.82 -0.02 1.61 3.84 -1.12 -5.03 114.94 110.83 1mrl s ASN 14 Ca 0.00 -0.57 0.00 0.00 0.21 0.00 0.00 52.86 52.50 1mrl s ASN 14 Cb 0.00 1.05 0.02 0.00 -0.55 0.00 0.00 41.25 41.77 1mrl s ASN 14 CO 0.00 -0.07 1.42 2.29 -2.79 0.00 0.00 177.10 177.95 1mrl n LYS 15 N 3.62 1.05 -0.07 0.43 2.85 -1.26 -3.53 118.16 121.25 1mrl n LYS 15 Ca 0.10 -0.11 -0.15 0.00 -1.05 0.00 0.00 58.31 57.09 1mrl n LYS 15 Cb 0.61 -1.04 -0.05 0.00 -0.65 0.00 0.00 35.03 33.89 1mrl n LYS 15 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1mrl n SER 16 N 0.83 1.22 -4.67 -5.58 7.64 -1.26 -4.90 113.62 106.90 1mrl n SER 16 Ca 0.02 0.15 -0.42 0.00 1.01 0.00 0.00 58.87 59.63 1mrl n SER 16 Cb 0.53 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.29 1mrl n SER 16 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mrl s VAL 17 N -2.27 3.96 0.01 0.44 1.01 -1.23 -2.09 120.40 120.24 1mrl s VAL 17 Ca -0.20 1.24 0.02 0.00 0.00 0.00 0.00 61.98 63.04 1mrl s VAL 17 Cb 0.08 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1mrl s VAL 17 CO 0.26 -0.06 -0.07 0.00 0.00 0.00 0.00 175.10 175.23 1mrl s GLN 18 N 3.10 0.54 -0.16 2.72 -2.07 -0.51 -4.26 119.66 119.02 1mrl s GLN 18 Ca 0.61 -0.44 -0.28 0.00 -1.82 0.00 0.00 55.36 53.44 1mrl s GLN 18 Cb -0.27 -0.46 -0.01 0.00 -1.09 0.00 0.00 33.01 31.18 1mrl s GLN 18 CO 0.22 0.11 0.96 -0.06 -1.32 0.00 0.00 175.29 175.21 1mrl s PHE 19 N -0.59 3.43 0.09 9.60 2.99 -0.52 -0.90 117.98 132.09 1mrl s PHE 19 Ca -0.02 1.45 -0.28 0.00 0.00 0.00 0.00 56.93 58.08 1mrl s PHE 19 Cb -0.05 -3.16 -0.14 0.00 0.00 0.00 0.00 43.02 39.67 1mrl s PHE 19 CO 0.00 -0.30 1.66 0.82 -0.00 0.00 0.00 175.22 177.40 1mrl h ILE 20 N 5.23 0.53 -0.63 0.64 1.08 -1.73 -3.26 117.51 119.37 1mrl h ILE 20 Ca -0.27 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.27 1mrl h ILE 20 Cb 1.12 0.53 -0.10 0.00 -3.07 0.00 0.00 36.82 35.30 1mrl h ILE 20 CO 0.88 0.00 -0.55 0.50 -0.69 0.00 0.00 178.15 178.29 1mrl h LYS 21 N -0.53 -0.24 -0.52 2.37 3.64 -1.80 -0.25 116.57 119.25 1mrl h LYS 21 Ca -0.03 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1mrl h LYS 21 Cb 0.45 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1mrl h LYS 21 CO 0.01 -0.16 0.35 -1.35 -2.27 0.00 0.00 179.45 176.03 1mrl h PRO 22 N -0.24 0.42 -0.03 1.90 0.11 -1.87 -1.49 132.00 130.79 1mrl h PRO 22 Ca 0.12 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 65.95 1mrl h PRO 22 Cb 0.53 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.56 1mrl h PRO 22 CO -0.73 0.28 -0.97 0.82 -0.21 0.00 0.00 178.00 177.19 1mrl h ILE 23 N 0.43 1.31 -0.60 4.15 2.04 -1.15 -3.27 117.51 120.42 1mrl h ILE 23 Ca 0.23 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.85 1mrl h ILE 23 Cb 0.35 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1mrl h ILE 23 CO -0.06 0.69 0.00 0.18 0.00 0.00 0.00 178.15 178.96 1mrl n LEU 24 N -3.85 3.69 0.28 1.44 4.77 -0.36 -4.44 117.00 118.53 1mrl n LEU 24 Ca -0.09 -1.85 0.15 0.00 -0.03 0.00 0.00 56.01 54.19 1mrl n LEU 24 Cb 0.84 -0.47 0.89 0.00 -2.33 0.00 0.00 43.42 42.36 1mrl n LEU 24 CO 0.54 0.78 1.13 -0.08 -1.33 0.00 0.00 177.39 178.43 1mrl h GLU 25 N 3.60 0.00 0.08 3.23 4.81 -1.34 -2.52 114.58 122.46 1mrl h GLU 25 Ca 0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1mrl h GLU 25 Cb 1.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1mrl h GLU 25 CO 0.08 0.00 -1.22 0.87 -0.73 0.00 0.00 179.01 178.02 1mrl h LYS 26 N 0.00 0.18 -6.85 1.92 1.57 -1.85 -3.47 116.57 108.07 1mrl h LYS 26 Ca 0.02 -0.30 -0.53 0.00 -1.87 0.00 0.00 60.65 57.96 1mrl h LYS 26 Cb 0.09 0.11 0.09 0.00 0.08 0.00 0.00 32.23 32.60 1mrl h LYS 26 CO -0.00 1.12 0.82 -0.51 -0.57 0.00 0.00 179.45 180.30 1mrl s LEU 27 N -6.96 4.35 0.37 2.94 1.43 -0.95 -5.00 118.68 114.85 1mrl s LEU 27 Ca -0.03 2.93 -0.20 0.00 -1.03 0.00 0.00 54.13 55.80 1mrl s LEU 27 Cb 0.08 -3.65 -0.10 0.00 0.03 0.00 0.00 46.19 42.55 1mrl s LEU 27 CO 0.86 -0.85 0.87 -1.61 0.23 0.00 0.00 176.35 175.85 1mrl s GLU 28 N -1.13 4.20 -1.79 1.70 0.41 -1.26 -3.94 118.70 116.90 1mrl s GLU 28 Ca 0.58 0.99 0.00 0.00 -0.41 0.00 0.00 54.97 56.13 1mrl s GLU 28 Cb -0.46 -2.38 0.00 0.00 -1.78 0.00 0.00 34.13 29.51 1mrl s GLU 28 CO 0.53 0.10 0.00 0.09 -0.49 0.00 0.00 175.26 175.48 1mrl n ASN 29 N -0.31 -5.25 -3.79 -0.19 3.02 -1.26 -4.97 115.26 102.50 1mrl n ASN 29 Ca 0.05 0.26 -0.26 0.00 -0.03 0.00 0.00 54.58 54.60 1mrl n ASN 29 Cb 0.53 -4.35 -0.17 0.00 -0.61 0.00 0.00 39.78 35.18 1mrl n ASN 29 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1mrl s VAL 30 N -2.78 0.58 -0.16 2.41 1.01 -1.25 -1.10 120.40 119.10 1mrl s VAL 30 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1mrl s VAL 30 Cb 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1mrl s VAL 30 CO 0.00 0.10 -0.19 -0.70 0.00 0.00 0.00 175.10 174.31 1mrl s GLU 31 N 1.86 3.07 0.03 2.72 2.12 -0.50 -4.88 118.70 123.13 1mrl s GLU 31 Ca 0.02 -0.81 0.05 0.00 0.36 0.00 0.00 54.97 54.59 1mrl s GLU 31 Cb -0.14 -2.56 -0.02 0.00 0.26 0.00 0.00 34.13 31.67 1mrl s GLU 31 CO -0.07 -0.10 -0.13 0.14 -0.54 0.00 0.00 175.26 174.56 1mrl s VAL 32 N 1.05 1.06 0.65 3.70 -7.23 -1.26 -1.32 120.40 117.06 1mrl s VAL 32 Ca -0.01 -0.92 -0.04 0.00 -1.81 0.00 0.00 61.98 59.20 1mrl s VAL 32 Cb -0.14 -0.95 0.05 0.00 0.56 0.00 0.00 36.38 35.89 1mrl s VAL 32 CO -0.06 0.03 0.94 -0.83 -0.31 0.00 0.00 175.10 174.87 1mrl s GLY 33 N -1.01 1.72 0.58 2.32 0.00 -0.78 -4.70 107.32 105.45 1mrl s GLY 33 Ca 0.02 -1.03 -0.18 0.00 0.00 0.00 0.00 44.72 43.52 1mrl s GLY 33 CO 0.01 -0.67 1.12 -0.54 0.00 0.00 0.00 173.10 173.02 1mrl s GLU 34 N -5.09 3.18 0.00 2.90 8.01 -1.26 -3.83 118.70 122.60 1mrl s GLU 34 Ca 0.59 1.53 0.00 0.00 0.01 0.00 0.00 54.97 57.10 1mrl s GLU 34 Cb -0.11 -1.99 0.00 0.00 -4.31 0.00 0.00 34.13 27.73 1mrl s GLU 34 CO 0.43 -0.97 0.00 0.66 0.01 0.00 0.00 175.26 175.38 1mrl n TYR 35 N -1.68 0.00 -1.74 1.61 4.02 -1.26 -1.76 117.16 116.35 1mrl n TYR 35 Ca 0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.58 1mrl n TYR 35 Cb 0.51 -0.15 -0.02 0.00 -0.02 0.00 0.00 39.34 39.66 1mrl n TYR 35 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1mrl n SER 36 N 0.15 3.95 -4.32 7.72 7.64 -1.25 -4.54 113.62 122.97 1mrl n SER 36 Ca 0.00 1.11 -0.17 0.00 1.01 0.00 0.00 58.87 60.82 1mrl n SER 36 Cb 0.00 -1.59 -0.10 0.00 -1.01 0.00 0.00 64.21 61.51 1mrl n SER 36 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1mrl s TYR 37 N 0.52 1.52 -0.04 1.43 -0.85 -0.82 -2.02 117.35 117.09 1mrl s TYR 37 Ca 0.69 -0.86 0.05 0.00 -0.52 0.00 0.00 57.07 56.43 1mrl s TYR 37 Cb -0.50 -0.85 -0.01 0.00 0.38 0.00 0.00 41.96 40.98 1mrl s TYR 37 CO 0.41 0.02 -0.20 -0.47 -1.52 0.00 0.00 175.55 173.79 1mrl s TYR 38 N -3.36 1.93 -0.47 -3.49 5.04 -0.08 -1.64 117.35 115.28 1mrl s TYR 38 Ca 0.26 -0.51 -0.14 0.00 -2.44 0.00 0.00 57.07 54.23 1mrl s TYR 38 Cb 0.05 -1.28 0.08 0.00 0.35 0.00 0.00 41.96 41.17 1mrl s TYR 38 CO 0.07 -0.15 0.38 0.34 -1.34 0.00 0.00 175.55 174.86 1mrl s ASP 39 N -0.14 6.03 0.26 4.32 2.15 -0.96 -1.42 116.67 126.91 1mrl s ASP 39 Ca -0.01 -1.46 -0.30 0.00 0.43 0.00 0.00 52.55 51.21 1mrl s ASP 39 Cb -0.11 -2.14 -0.10 0.00 -0.30 0.00 0.00 42.92 40.26 1mrl s ASP 39 CO 0.02 -0.66 1.48 -0.55 -0.17 0.00 0.00 175.17 175.28 1mrl s SER 40 N 2.66 6.58 0.01 -0.34 0.15 -0.89 -3.02 113.70 118.85 1mrl s SER 40 Ca 0.04 2.74 -0.18 0.00 0.70 0.00 0.00 55.95 59.25 1mrl s SER 40 Cb -0.25 -2.63 -0.31 0.00 -1.71 0.00 0.00 66.02 61.12 1mrl s SER 40 CO 0.05 -0.75 1.00 0.50 1.20 0.00 0.00 173.24 175.24 1mrl h LYS 41 N 4.92 0.47 0.00 5.44 3.64 -1.92 -3.41 116.57 125.71 1mrl h LYS 41 Ca -0.46 -0.71 -0.03 0.00 -1.27 0.00 0.00 60.65 58.18 1mrl h LYS 41 Cb 1.22 0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 33.22 1mrl h LYS 41 CO 0.78 1.32 -0.57 0.09 -2.27 0.00 0.00 179.45 178.80 1mrl n ASN 42 N -3.94 0.16 0.00 4.20 3.02 -1.26 -4.97 115.26 112.47 1mrl n ASN 42 Ca -0.14 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.45 1mrl n ASN 42 Cb 0.93 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.89 1mrl n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mrl n GLY 43 N 0.08 0.61 3.79 7.41 0.00 -1.26 -5.07 105.19 110.76 1mrl n GLY 43 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1mrl n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mrl s GLU 44 N -0.81 4.05 0.24 1.61 1.03 -1.26 -5.04 118.70 118.51 1mrl s GLU 44 Ca 0.00 1.39 -0.13 0.00 0.03 0.00 0.00 54.97 56.27 1mrl s GLU 44 Cb 0.00 -2.33 -0.08 0.00 -0.80 0.00 0.00 34.13 30.92 1mrl s GLU 44 CO 0.00 -0.22 0.61 0.95 -1.33 0.00 0.00 175.26 175.27 1mrl s THR 45 N -1.85 4.82 0.57 1.83 -4.23 -1.26 -4.73 115.64 110.79 1mrl s THR 45 Ca 0.62 0.73 0.28 0.00 -1.18 0.00 0.00 61.69 62.14 1mrl s THR 45 Cb -0.18 -3.66 0.39 0.00 1.34 0.00 0.00 72.50 70.39 1mrl s THR 45 CO 0.22 -0.02 1.96 0.15 -0.54 0.00 0.00 174.62 176.40 1mrl h PHE 46 N 2.74 0.00 -0.04 3.99 3.57 -1.97 -0.93 116.94 124.29 1mrl h PHE 46 Ca -0.48 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.04 1mrl h PHE 46 Cb 1.18 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 1mrl h PHE 46 CO 0.62 0.00 0.04 0.38 -2.23 0.00 0.00 178.31 177.12 1mrl h ASP 47 N 0.00 0.00 0.20 0.41 2.03 -1.93 0.63 116.42 117.75 1mrl h ASP 47 Ca 0.22 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.52 1mrl h ASP 47 Cb 1.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 1mrl h ASP 47 CO -0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 1mrl n LYS 48 N -4.18 0.56 0.00 4.15 4.76 -0.35 -2.98 118.16 120.11 1mrl n LYS 48 Ca -0.02 0.03 0.11 0.00 -2.87 0.00 0.00 58.31 55.56 1mrl n LYS 48 Cb 0.13 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.85 1mrl n LYS 48 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1mrl n GLN 49 N -1.13 1.54 -3.49 1.97 1.13 0.21 -4.85 117.38 112.76 1mrl n GLN 49 Ca 0.15 -1.20 -0.41 0.00 -1.94 0.00 0.00 57.00 53.60 1mrl n GLN 49 Cb 0.13 -1.43 -0.10 0.00 0.11 0.00 0.00 30.24 28.94 1mrl n GLN 49 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mrl s ILE 50 N -2.22 5.26 0.13 5.09 1.01 -1.16 -1.11 121.20 128.19 1mrl s ILE 50 Ca 0.20 -0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.66 1mrl s ILE 50 Cb 0.17 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1mrl s ILE 50 CO 0.47 -0.09 -0.12 -0.76 0.00 0.00 0.00 174.94 174.44 1mrl s LEU 51 N 1.77 2.94 -1.40 2.97 1.43 -0.27 -4.71 118.68 121.40 1mrl s LEU 51 Ca 0.07 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.60 1mrl s LEU 51 Cb -0.18 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.36 1mrl s LEU 51 CO 0.11 0.16 1.04 -1.22 0.23 0.00 0.00 176.35 176.66 1mrl n TYR 52 N 0.55 -2.49 -3.43 0.29 4.02 -1.26 -1.07 117.16 113.76 1mrl n TYR 52 Ca -0.13 0.95 -0.43 0.00 -0.01 0.00 0.00 57.90 58.27 1mrl n TYR 52 Cb 0.53 -4.58 -0.07 0.00 -0.02 0.00 0.00 39.34 35.20 1mrl n TYR 52 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1mrl s HIS 53 N -3.36 3.35 -0.21 -0.72 2.46 -1.26 -1.16 115.29 114.39 1mrl s HIS 53 Ca 0.49 -1.61 -0.05 0.00 0.47 0.00 0.00 55.06 54.36 1mrl s HIS 53 Cb -0.23 -3.65 -0.02 0.00 -0.13 0.00 0.00 32.58 28.55 1mrl s HIS 53 CO 0.78 -1.01 -0.01 0.71 -2.47 0.00 0.00 174.74 172.75 1mrl s TYR 54 N 1.43 3.02 0.41 3.88 2.02 -1.26 -5.00 117.35 121.85 1mrl s TYR 54 Ca 0.05 -0.56 0.18 0.00 -0.37 0.00 0.00 57.07 56.37 1mrl s TYR 54 Cb -0.28 -2.10 1.10 0.00 -0.40 0.00 0.00 41.96 40.29 1mrl s TYR 54 CO 0.01 -0.32 1.82 -1.35 -1.57 0.00 0.00 175.55 174.15 1mrl h PRO 55 N 7.68 0.38 0.00 -1.71 0.11 -1.96 -1.46 132.00 135.04 1mrl h PRO 55 Ca -0.37 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 1mrl h PRO 55 Cb 1.18 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1mrl h PRO 55 CO 0.60 0.25 -0.09 0.97 -0.21 0.00 0.00 178.00 179.53 1mrl h ILE 56 N 0.39 0.55 0.00 4.15 2.10 -2.00 -2.12 117.51 120.59 1mrl h ILE 56 Ca 0.52 -0.40 -0.14 0.00 1.08 0.00 0.00 64.86 65.92 1mrl h ILE 56 Cb 1.32 1.26 -0.02 0.00 -1.09 0.00 0.00 36.82 38.29 1mrl h ILE 56 CO -0.21 0.09 -0.98 -0.07 -1.08 0.00 0.00 178.15 175.90 1mrl h LEU 57 N 0.00 0.00 0.04 2.19 3.38 -1.69 -3.48 115.31 115.75 1mrl h LEU 57 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1mrl h LEU 57 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1mrl h LEU 57 CO 0.01 0.56 -0.02 -3.20 0.09 0.00 0.00 178.44 175.89 1mrl n ASN 58 N -3.06 -3.99 -4.77 -0.43 4.05 -0.80 -5.01 115.26 101.24 1mrl n ASN 58 Ca -0.04 0.02 -0.38 0.00 0.45 0.00 0.00 54.58 54.63 1mrl n ASN 58 Cb 0.80 -1.58 -0.04 0.00 1.23 0.00 0.00 39.78 40.19 1mrl n ASN 58 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 177.26 175.72 1mrl s ASP 59 N -2.12 6.85 0.18 1.20 -4.77 -1.26 -5.04 116.67 111.70 1mrl s ASP 59 Ca 0.00 2.20 0.07 0.00 -3.30 0.00 0.00 52.55 51.52 1mrl s ASP 59 Cb 0.00 -2.61 -0.04 0.00 -1.09 0.00 0.00 42.92 39.18 1mrl s ASP 59 CO 0.00 -0.44 0.01 -0.54 0.70 0.00 0.00 175.17 174.90 1mrl s LYS 60 N -2.11 2.43 -0.15 2.11 -0.14 -1.26 -4.93 119.74 115.69 1mrl s LYS 60 Ca 0.53 -1.11 0.01 0.00 -1.36 0.00 0.00 55.97 54.04 1mrl s LYS 60 Cb -0.28 -2.37 -0.00 0.00 -1.68 0.00 0.00 37.83 33.51 1mrl s LYS 60 CO 0.35 0.45 -0.16 -1.17 -0.76 0.00 0.00 175.35 174.06 1mrl s LEU 61 N -3.00 2.44 -0.12 3.17 2.96 -0.26 -1.88 118.68 121.99 1mrl s LEU 61 Ca 0.28 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 1mrl s LEU 61 Cb -0.09 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.07 1mrl s LEU 61 CO 0.19 0.09 -0.12 -1.59 -1.32 0.00 0.00 176.35 173.60 1mrl s LYS 62 N 0.76 2.00 -0.06 1.98 0.00 0.66 -1.41 119.74 123.67 1mrl s LYS 62 Ca -0.07 -0.45 0.05 0.00 0.00 0.00 0.00 55.97 55.51 1mrl s LYS 62 Cb -0.15 -1.85 -0.01 0.00 0.00 0.00 0.00 37.83 35.82 1mrl s LYS 62 CO 0.01 -0.19 -0.23 0.42 0.00 0.00 0.00 175.35 175.35 1mrl s ILE 63 N 1.41 1.94 0.00 3.79 1.01 -0.43 0.83 121.20 129.75 1mrl s ILE 63 Ca 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1mrl s ILE 63 Cb -0.13 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.68 1mrl s ILE 63 CO -0.07 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.02 1mrl n GLY 64 N 3.10 -1.18 3.85 6.18 0.00 -0.16 -1.86 105.19 115.12 1mrl n GLY 64 Ca -0.18 -1.53 -0.24 0.00 0.00 0.00 0.00 46.02 44.06 1mrl n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mrl s LYS 65 N 0.00 3.06 -1.30 1.61 1.02 -1.26 -2.60 119.74 120.27 1mrl s LYS 65 Ca 0.00 -0.87 -0.02 0.00 0.02 0.00 0.00 55.97 55.10 1mrl s LYS 65 Cb 0.00 -2.70 0.01 0.00 -0.52 0.00 0.00 37.83 34.62 1mrl s LYS 65 CO 0.00 0.46 0.89 1.19 -0.92 0.00 0.00 175.35 176.97 1mrl n PHE 66 N -0.76 -2.16 -3.99 3.18 3.72 -0.72 -1.00 117.46 115.72 1mrl n PHE 66 Ca -0.08 0.90 -0.21 0.00 -0.05 0.00 0.00 57.45 58.01 1mrl n PHE 66 Cb 0.56 -4.69 -0.03 0.00 -0.94 0.00 0.00 39.48 34.38 1mrl n PHE 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mrl s SER 68 N -3.95 4.13 -0.28 0.00 0.01 -0.14 -1.95 113.70 111.52 1mrl s SER 68 Ca 0.34 -1.58 -0.11 0.00 1.31 0.00 0.00 55.95 55.91 1mrl s SER 68 Cb -0.09 -1.18 -0.05 0.00 0.21 0.00 0.00 66.02 64.92 1mrl s SER 68 CO 0.28 -0.34 0.19 -0.63 0.41 0.00 0.00 173.24 173.15 1mrl s ILE 69 N 1.35 5.31 0.88 1.44 -1.09 -0.65 -0.84 121.20 127.60 1mrl s ILE 69 Ca 0.04 0.17 -0.12 0.00 -2.23 0.00 0.00 60.65 58.52 1mrl s ILE 69 Cb -0.18 -3.53 0.12 0.00 -1.58 0.00 0.00 42.46 37.29 1mrl s ILE 69 CO -0.13 0.26 1.09 -0.83 -1.23 0.00 0.00 174.94 174.10 1mrl s GLY 70 N 1.72 1.62 0.34 6.18 0.00 0.36 -2.26 107.32 115.27 1mrl s GLY 70 Ca 0.07 -0.11 -0.28 0.00 0.00 0.00 0.00 44.72 44.40 1mrl s GLY 70 CO 0.11 0.37 1.29 -4.14 0.00 0.00 0.00 173.10 170.73 1mrl s PRO 71 N -4.98 4.32 0.00 2.90 0.02 -1.17 -3.36 135.00 132.73 1mrl s PRO 71 Ca 0.63 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.83 1mrl s PRO 71 Cb -0.17 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.31 1mrl s PRO 71 CO 0.56 -0.20 0.00 0.41 -0.33 0.00 0.00 177.00 177.44 1mrl n GLY 72 N 0.80 1.30 3.73 0.52 0.00 -1.26 -0.77 105.19 109.50 1mrl n GLY 72 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1mrl n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mrl s VAL 73 N -3.10 2.45 -0.01 1.61 1.01 -1.21 -4.37 120.40 116.78 1mrl s VAL 73 Ca 0.00 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.38 1mrl s VAL 73 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1mrl s VAL 73 CO 0.00 0.04 -0.18 0.42 0.00 0.00 0.00 175.10 175.37 1mrl s THR 74 N 0.76 1.46 -0.25 3.92 -4.23 -0.89 -4.82 115.64 111.59 1mrl s THR 74 Ca 0.68 -0.83 -0.04 0.00 -1.18 0.00 0.00 61.69 60.32 1mrl s THR 74 Cb -0.45 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.17 1mrl s THR 74 CO 0.36 0.38 -0.02 -0.63 -0.54 0.00 0.00 174.62 174.17 1mrl s ILE 75 N -0.48 3.39 -0.36 2.99 1.01 -0.27 -1.67 121.20 125.82 1mrl s ILE 75 Ca 0.07 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 1mrl s ILE 75 Cb -0.07 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 1mrl s ILE 75 CO -0.00 0.28 0.31 -0.63 0.00 0.00 0.00 174.94 174.90 1mrl s ILE 76 N 1.45 5.22 0.28 2.92 -1.09 -0.36 -1.11 121.20 128.50 1mrl s ILE 76 Ca 0.04 -0.23 -0.03 0.00 -2.23 0.00 0.00 60.65 58.20 1mrl s ILE 76 Cb -0.16 -3.82 0.06 0.00 -1.58 0.00 0.00 42.46 36.97 1mrl s ILE 76 CO -0.02 -0.13 0.38 0.23 -1.23 0.00 0.00 174.94 174.17 1mrl n MET 77 N 5.25 -0.03 0.00 2.79 2.81 -0.23 -2.53 117.12 125.19 1mrl n MET 77 Ca -0.11 -0.78 0.09 0.00 -1.81 0.00 0.00 57.70 55.10 1mrl n MET 77 Cb 0.49 -0.33 0.55 0.00 -0.71 0.00 0.00 33.22 33.21 1mrl n MET 77 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1mrl n ASN 78 N -3.13 0.00 0.00 7.83 3.02 -1.24 -3.56 115.26 118.18 1mrl n ASN 78 Ca 0.05 -0.54 0.09 0.00 -0.03 0.00 0.00 54.58 54.16 1mrl n ASN 78 Cb 0.19 -0.02 0.55 0.00 -0.61 0.00 0.00 39.78 39.88 1mrl n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mrl n GLY 79 N 0.18 -0.75 0.04 7.41 0.00 -0.31 -3.16 105.19 108.59 1mrl n GLY 79 Ca 0.14 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1mrl n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrl n ALA 80 N -0.88 2.66 -1.92 4.61 0.00 -1.23 -4.95 120.51 118.80 1mrl n ALA 80 Ca 0.14 -0.52 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 1mrl n ALA 80 Cb 0.06 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 1mrl n ALA 80 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1mrl s ASN 81 N -4.75 6.72 0.29 0.00 0.01 -1.19 -5.04 114.94 110.97 1mrl s ASN 81 Ca -0.07 2.59 0.06 0.00 -0.71 0.00 0.00 52.86 54.73 1mrl s ASN 81 Cb 0.13 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 39.15 1mrl s ASN 81 CO 0.88 -0.66 0.40 -1.00 -1.51 0.00 0.00 177.10 175.21 1mrl s HIS 82 N 0.09 3.26 0.38 2.20 3.76 -1.26 -5.08 115.29 118.63 1mrl s HIS 82 Ca 0.59 -0.12 -0.26 0.00 -0.15 0.00 0.00 55.06 55.11 1mrl s HIS 82 Cb -0.40 -1.76 -0.09 0.00 1.11 0.00 0.00 32.58 31.44 1mrl s HIS 82 CO 0.41 0.24 1.23 0.50 -0.85 0.00 0.00 174.74 176.27 1mrl s ARG 83 N -4.06 4.12 -0.01 1.40 3.52 -1.26 -4.96 118.95 117.70 1mrl s ARG 83 Ca 0.39 2.01 0.01 0.00 -0.13 0.00 0.00 55.73 58.01 1mrl s ARG 83 Cb -0.09 -2.81 0.02 0.00 -1.56 0.00 0.00 34.95 30.51 1mrl s ARG 83 CO 0.30 -0.32 0.77 -1.33 -0.81 0.00 0.00 175.30 173.91 1mrl n MET 84 N 0.30 1.13 0.00 5.12 2.81 -1.26 -4.28 117.12 120.94 1mrl n MET 84 Ca 0.03 -1.04 0.14 0.00 -1.81 0.00 0.00 57.70 55.01 1mrl n MET 84 Cb 0.45 -0.74 0.58 0.00 -0.71 0.00 0.00 33.22 32.79 1mrl n MET 84 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1mrl n ASP 85 N -0.28 0.06 0.00 7.83 5.75 -1.26 -4.90 116.55 123.75 1mrl n ASP 85 Ca 0.01 0.40 0.00 0.00 -0.01 0.00 0.00 54.79 55.19 1mrl n ASP 85 Cb 0.44 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1mrl n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mrl n GLY 86 N 1.50 3.36 3.77 6.12 0.00 -1.26 -5.14 105.19 113.54 1mrl n GLY 86 Ca 0.07 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1mrl n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mrl s SER 87 N 1.64 6.57 0.00 1.61 0.15 -1.26 -4.94 113.70 117.47 1mrl s SER 87 Ca 0.00 2.20 0.22 0.00 0.70 0.00 0.00 55.95 59.07 1mrl s SER 87 Cb 0.00 -2.60 0.74 0.00 -1.71 0.00 0.00 66.02 62.45 1mrl s SER 87 CO 0.00 -0.63 1.55 0.35 1.20 0.00 0.00 173.24 175.71 1mrl n THR 88 N -0.08 0.20 -2.36 6.45 -2.24 -1.26 -4.70 114.28 110.29 1mrl n THR 88 Ca 0.05 -0.38 -0.43 0.00 -2.27 0.00 0.00 64.05 61.02 1mrl n THR 88 Cb 0.48 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 69.20 1mrl n THR 88 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1mrl s TYR 89 N -1.80 2.76 -1.39 4.78 6.14 -1.26 -4.72 117.35 121.86 1mrl s TYR 89 Ca 0.34 0.90 -0.14 0.00 0.64 0.00 0.00 57.07 58.81 1mrl s TYR 89 Cb 0.19 -3.56 -0.00 0.00 0.42 0.00 0.00 41.96 39.00 1mrl s TYR 89 CO 0.28 -2.00 2.29 -2.30 0.64 0.00 0.00 175.55 174.46 1mrl n PRO 90 N 6.45 2.79 -0.28 4.97 -0.02 -1.26 -4.78 135.00 142.86 1mrl n PRO 90 Ca 0.14 -2.43 0.10 0.00 -2.02 0.00 0.00 63.50 59.29 1mrl n PRO 90 Cb 0.45 -3.16 0.25 0.00 -0.02 0.00 0.00 33.50 31.01 1mrl n PRO 90 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1mrl h PHE 91 N 6.09 0.32 -1.00 6.00 -1.00 -1.91 -2.43 116.94 123.02 1mrl h PHE 91 Ca 0.59 0.05 0.19 0.00 2.81 0.00 0.00 57.97 61.61 1mrl h PHE 91 Cb 0.58 -0.01 -0.10 0.00 3.61 0.00 0.00 35.95 40.03 1mrl h PHE 91 CO 1.50 -0.16 0.61 -2.95 -1.61 0.00 0.00 178.31 175.71 1mrl h ASN 92 N 0.24 0.74 0.08 2.17 -1.07 -1.79 -2.68 115.58 113.26 1mrl h ASN 92 Ca 0.50 0.09 -0.01 0.00 0.07 0.00 0.00 56.30 56.95 1mrl h ASN 92 Cb 0.96 -0.04 -0.00 0.00 -2.07 0.00 0.00 38.32 37.17 1mrl h ASN 92 CO -0.61 0.26 -0.07 -0.07 0.07 0.00 0.00 177.43 177.02 1mrl h LEU 93 N 0.72 0.00 0.00 6.14 3.38 -1.74 -2.86 115.31 120.95 1mrl h LEU 93 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.54 1mrl h LEU 93 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1mrl h LEU 93 CO -0.35 0.07 0.00 0.49 0.09 0.00 0.00 178.44 178.74 1mrl n PHE 94 N -4.40 0.00 -4.90 1.13 3.01 -1.01 -5.00 117.46 106.29 1mrl n PHE 94 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1mrl n PHE 94 Cb 0.15 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 39.12 1mrl n PHE 94 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mrl n GLY 95 N 1.28 2.37 2.87 1.37 0.00 -1.08 -4.89 105.19 107.11 1mrl n GLY 95 Ca 0.07 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 1mrl n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mrl n ASN 96 N -0.31 -4.43 0.00 1.61 3.02 -1.26 -1.44 115.26 112.45 1mrl n ASN 96 Ca 0.00 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1mrl n ASN 96 Cb 0.00 -3.68 0.00 0.00 -0.61 0.00 0.00 39.78 35.49 1mrl n ASN 96 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mrl n GLY 97 N -1.09 1.53 0.00 7.41 0.00 -1.26 -4.92 105.19 106.86 1mrl n GLY 97 Ca -0.10 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.88 1mrl n GLY 97 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1mrl n TRP 98 N 0.00 0.00 0.32 1.61 7.02 -0.52 -3.22 117.44 122.65 1mrl n TRP 98 Ca 0.00 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.60 1mrl n TRP 98 Cb 0.00 -0.20 0.55 0.00 -2.42 0.00 0.00 31.31 29.24 1mrl n TRP 98 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 1mrl h GLU 99 N 0.00 0.00 0.00 -0.99 9.09 -1.73 -2.04 114.58 118.90 1mrl h GLU 99 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1mrl h GLU 99 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 1mrl h GLU 99 CO 0.00 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.69 1mrl n LYS 100 N -2.31 0.09 -1.18 1.06 5.02 -1.20 -3.50 118.16 116.14 1mrl n LYS 100 Ca 0.01 0.08 -0.28 0.00 -2.02 0.00 0.00 58.31 56.10 1mrl n LYS 100 Cb 0.17 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.77 1mrl n LYS 100 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1mrl n HIS 101 N -1.44 2.79 -3.15 2.13 8.25 -0.77 -4.97 115.22 118.06 1mrl n HIS 101 Ca 0.07 -2.49 -0.40 0.00 -0.26 0.00 0.00 57.72 54.65 1mrl n HIS 101 Cb 0.26 -1.21 -0.06 0.00 1.12 0.00 0.00 29.99 30.10 1mrl n HIS 101 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1mrl s MET 102 N -3.22 4.23 0.33 -0.41 0.00 -1.23 -4.52 119.30 114.49 1mrl s MET 102 Ca 0.55 0.59 -0.24 0.00 0.00 0.00 0.00 55.69 56.59 1mrl s MET 102 Cb 0.44 -3.56 -0.15 0.00 0.00 0.00 0.00 34.83 31.56 1mrl s MET 102 CO 0.02 -0.17 0.41 -2.30 0.00 0.00 0.00 175.02 172.97 1mrl n PRO 103 N 4.82 0.23 -1.97 4.11 -0.02 -1.26 -4.95 135.00 135.96 1mrl n PRO 103 Ca -0.02 0.08 -0.29 0.00 -2.02 0.00 0.00 63.50 61.25 1mrl n PRO 103 Cb 0.50 -1.18 0.05 0.00 -0.02 0.00 0.00 33.50 32.86 1mrl n PRO 103 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1mrl s LYS 104 N -1.17 2.70 0.52 -0.52 1.02 -1.26 -4.91 119.74 116.11 1mrl s LYS 104 Ca 0.62 0.32 0.34 0.00 0.02 0.00 0.00 55.97 57.27 1mrl s LYS 104 Cb -0.73 -2.05 1.49 0.00 -0.52 0.00 0.00 37.83 36.02 1mrl s LYS 104 CO 0.59 -1.09 1.77 -0.07 -0.92 0.00 0.00 175.35 175.64 1mrl h LEU 105 N -0.65 0.08 -3.20 3.17 3.38 -1.99 -0.82 115.31 115.28 1mrl h LEU 105 Ca -0.45 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1mrl h LEU 105 Cb 1.27 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1mrl h LEU 105 CO 0.64 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.27 1mrl n ASP 106 N -4.26 4.10 -0.94 -0.43 5.68 -1.26 -4.36 116.55 115.08 1mrl n ASP 106 Ca 0.28 -2.68 0.08 0.00 -0.50 0.00 0.00 54.79 51.97 1mrl n ASP 106 Cb 1.26 -0.50 0.22 0.00 -1.14 0.00 0.00 41.12 40.96 1mrl n ASP 106 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mrl n GLN 107 N 0.17 2.79 -3.48 0.11 6.02 -0.31 -4.67 117.38 118.01 1mrl n GLN 107 Ca 0.21 -2.30 -0.27 0.00 -0.01 0.00 0.00 57.00 54.63 1mrl n GLN 107 Cb 0.83 -1.39 -0.10 0.00 1.02 0.00 0.00 30.24 30.60 1mrl n GLN 107 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1mrl n LEU 108 N 0.99 0.99 -4.45 1.08 4.77 -1.26 -4.71 117.00 114.41 1mrl n LEU 108 Ca 0.17 -4.76 -0.37 0.00 -0.03 0.00 0.00 56.01 51.02 1mrl n LEU 108 Cb 0.51 0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.76 1mrl n LEU 108 CO 0.12 1.90 0.01 -2.65 -1.33 0.00 0.00 177.39 175.44 1mrl n PRO 109 N 2.12 0.35 -4.83 3.23 -0.02 -1.26 -4.99 135.00 129.60 1mrl n PRO 109 Ca 0.26 0.15 -0.25 0.00 -2.02 0.00 0.00 63.50 61.64 1mrl n PRO 109 Cb 0.45 -1.75 -0.15 0.00 -0.02 0.00 0.00 33.50 32.03 1mrl n PRO 109 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1mrl s ILE 110 N -1.85 1.38 -2.20 4.25 1.01 -1.26 -5.03 121.20 117.49 1mrl s ILE 110 Ca 0.66 -0.73 0.30 0.00 0.00 0.00 0.00 60.65 60.87 1mrl s ILE 110 Cb -0.38 -1.15 0.74 0.00 0.01 0.00 0.00 42.46 41.68 1mrl s ILE 110 CO 0.58 0.39 2.00 2.29 0.00 0.00 0.00 174.94 180.19 1mrl n LYS 111 N 2.74 1.28 0.00 2.79 -0.00 -1.26 -5.03 118.16 118.68 1mrl n LYS 111 Ca -0.15 -0.41 0.00 0.00 -0.00 0.00 0.00 58.31 57.75 1mrl n LYS 111 Cb 0.54 -1.48 0.00 0.00 -0.00 0.00 0.00 35.03 34.09 1mrl n LYS 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mrl n GLY 112 N 1.06 -1.56 3.93 2.58 0.00 -1.26 -4.34 105.19 105.60 1mrl n GLY 112 Ca 0.21 -2.07 -0.26 0.00 0.00 0.00 0.00 46.02 43.90 1mrl n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mrl s ASP 113 N -4.00 5.75 -0.33 1.61 1.01 -1.26 -4.06 116.67 115.39 1mrl s ASP 113 Ca 0.00 0.63 -0.06 0.00 0.71 0.00 0.00 52.55 53.82 1mrl s ASP 113 Cb 0.00 -1.73 0.03 0.00 1.01 0.00 0.00 42.92 42.23 1mrl s ASP 113 CO 0.00 -0.90 0.10 -0.89 0.21 0.00 0.00 175.17 173.69 1mrl s THR 114 N -2.84 3.81 -0.23 -1.27 2.01 -0.79 -4.06 115.64 112.28 1mrl s THR 114 Ca 0.51 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1mrl s THR 114 Cb -0.10 -3.12 0.05 0.00 0.01 0.00 0.00 72.50 69.33 1mrl s THR 114 CO 0.43 -0.13 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.46 1mrl s ILE 115 N 1.42 2.09 -0.17 1.82 1.01 -1.05 -0.24 121.20 126.07 1mrl s ILE 115 Ca -0.01 -1.36 -0.07 0.00 0.00 0.00 0.00 60.65 59.21 1mrl s ILE 115 Cb -0.19 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1mrl s ILE 115 CO 0.03 0.18 0.07 -0.63 0.00 0.00 0.00 174.94 174.59 1mrl s ILE 116 N 1.19 4.87 0.00 2.92 1.01 0.24 -1.48 121.20 129.95 1mrl s ILE 116 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1mrl s ILE 116 Cb -0.17 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1mrl s ILE 116 CO -0.08 0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1mrl n GLY 117 N 3.32 -1.51 3.90 6.18 0.00 0.29 -0.99 105.19 116.38 1mrl n GLY 117 Ca -0.17 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 1mrl n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mrl s ASN 118 N -1.28 6.49 -1.40 1.61 -0.87 -1.26 -2.58 114.94 115.64 1mrl s ASN 118 Ca 0.00 0.59 -0.09 0.00 -1.57 0.00 0.00 52.86 51.79 1mrl s ASN 118 Cb 0.00 -2.09 0.02 0.00 -0.02 0.00 0.00 41.25 39.16 1mrl s ASN 118 CO 0.00 0.06 1.10 -0.67 -2.57 0.00 0.00 177.10 175.01 1mrl n ASP 119 N 0.12 -6.17 -4.68 -1.22 4.64 -0.17 -1.15 116.55 107.91 1mrl n ASP 119 Ca -0.03 -0.54 -0.35 0.00 -1.38 0.00 0.00 54.79 52.49 1mrl n ASP 119 Cb 0.52 -4.87 -0.09 0.00 -1.04 0.00 0.00 41.12 35.63 1mrl n ASP 119 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1mrl s VAL 120 N -3.30 4.33 -0.30 5.18 0.11 -1.25 -3.43 120.40 121.74 1mrl s VAL 120 Ca 0.57 -0.24 -0.07 0.00 -2.93 0.00 0.00 61.98 59.31 1mrl s VAL 120 Cb -0.26 -2.82 0.01 0.00 -1.53 0.00 0.00 36.38 31.78 1mrl s VAL 120 CO 0.70 0.60 0.08 0.86 -3.33 0.00 0.00 175.10 174.01 1mrl s TRP 121 N -0.85 3.16 -0.23 1.54 -0.00 -0.95 -0.97 118.94 120.63 1mrl s TRP 121 Ca 0.13 -1.06 -0.07 0.00 -0.00 0.00 0.00 56.10 55.10 1mrl s TRP 121 Cb -0.11 -2.25 -0.03 0.00 -0.00 0.00 0.00 33.47 31.08 1mrl s TRP 121 CO 0.02 -0.60 0.05 0.42 -0.00 0.00 0.00 176.95 176.84 1mrl s ILE 122 N 1.48 4.20 1.22 5.86 1.01 -0.02 -1.11 121.20 133.85 1mrl s ILE 122 Ca 0.02 -0.21 -0.17 0.00 0.00 0.00 0.00 60.65 60.28 1mrl s ILE 122 Cb -0.17 -2.94 0.29 0.00 0.01 0.00 0.00 42.46 39.64 1mrl s ILE 122 CO 0.02 0.37 1.03 -0.83 0.00 0.00 0.00 174.94 175.53 1mrl s GLY 123 N 1.41 1.52 0.33 6.18 0.00 -0.17 -0.49 107.32 116.10 1mrl s GLY 123 Ca 0.05 -0.58 -0.29 0.00 0.00 0.00 0.00 44.72 43.91 1mrl s GLY 123 CO 0.03 0.25 1.35 1.25 0.00 0.00 0.00 173.10 175.98 1mrl s LYS 124 N -4.95 4.30 -2.08 2.90 2.20 -1.26 -3.41 119.74 117.44 1mrl s LYS 124 Ca 0.69 2.29 0.00 0.00 -0.36 0.00 0.00 55.97 58.59 1mrl s LYS 124 Cb -0.17 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1mrl s LYS 124 CO 0.59 -0.27 0.00 -0.25 -0.36 0.00 0.00 175.35 175.06 1mrl n ASP 125 N 0.86 -5.51 -4.75 1.43 10.43 0.05 -0.36 116.55 118.70 1mrl n ASP 125 Ca 0.01 0.39 -0.40 0.00 2.57 0.00 0.00 54.79 57.35 1mrl n ASP 125 Cb 0.41 -4.80 -0.05 0.00 1.84 0.00 0.00 41.12 38.52 1mrl n ASP 125 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1mrl s VAL 126 N -2.81 3.66 -0.13 2.53 1.01 -1.22 -4.17 120.40 119.28 1mrl s VAL 126 Ca 0.00 1.64 -0.01 0.00 0.00 0.00 0.00 61.98 63.62 1mrl s VAL 126 Cb 0.00 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1mrl s VAL 126 CO 0.00 0.38 -0.10 -0.69 0.00 0.00 0.00 175.10 174.69 1mrl s VAL 127 N -1.05 3.33 -0.28 2.92 1.01 -0.51 -2.10 120.40 123.71 1mrl s VAL 127 Ca 0.44 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 1mrl s VAL 127 Cb -0.30 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.67 1mrl s VAL 127 CO 0.38 0.52 0.05 -0.63 0.00 0.00 0.00 175.10 175.43 1mrl s ILE 128 N 0.22 3.82 0.64 2.22 -1.09 -0.67 -1.85 121.20 124.50 1mrl s ILE 128 Ca -0.07 -0.65 -0.11 0.00 -2.23 0.00 0.00 60.65 57.59 1mrl s ILE 128 Cb -0.15 -2.93 -0.03 0.00 -1.58 0.00 0.00 42.46 37.78 1mrl s ILE 128 CO 0.04 0.15 1.05 -0.04 -1.23 0.00 0.00 174.94 174.92 1mrl s MET 129 N 1.49 3.40 0.34 2.79 -1.94 -0.83 -1.22 119.30 123.32 1mrl s MET 129 Ca 0.03 0.68 -0.29 0.00 -1.71 0.00 0.00 55.69 54.40 1mrl s MET 129 Cb -0.17 -2.06 -0.12 0.00 2.01 0.00 0.00 34.83 34.49 1mrl s MET 129 CO 0.01 -0.70 1.41 -2.30 -0.01 0.00 0.00 175.02 173.44 1mrl n PRO 130 N -2.82 2.38 -0.88 2.03 -0.02 -1.05 -3.46 135.00 131.18 1mrl n PRO 130 Ca 0.06 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1mrl n PRO 130 Cb 0.55 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1mrl n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mrl n GLY 131 N 0.99 1.01 3.80 -1.23 0.00 -1.26 -4.89 105.19 103.61 1mrl n GLY 131 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1mrl n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mrl s VAL 132 N -3.80 3.79 -0.10 1.61 -7.23 -1.22 -4.71 120.40 108.74 1mrl s VAL 132 Ca 0.00 1.05 0.03 0.00 -1.81 0.00 0.00 61.98 61.25 1mrl s VAL 132 Cb 0.00 -3.44 0.01 0.00 0.56 0.00 0.00 36.38 33.51 1mrl s VAL 132 CO 0.00 -0.30 -0.18 -0.54 -0.31 0.00 0.00 175.10 173.77 1mrl s LYS 133 N -3.42 2.48 -0.21 4.82 3.01 -1.26 -2.54 119.74 122.62 1mrl s LYS 133 Ca 0.67 -0.67 0.01 0.00 -1.01 0.00 0.00 55.97 54.96 1mrl s LYS 133 Cb -0.16 -1.98 0.03 0.00 -1.01 0.00 0.00 37.83 34.71 1mrl s LYS 133 CO 0.24 0.05 -0.15 0.42 0.51 0.00 0.00 175.35 176.42 1mrl s ILE 134 N 0.65 2.33 0.89 2.17 1.01 -0.55 -1.06 121.20 126.64 1mrl s ILE 134 Ca -0.13 -1.05 -0.11 0.00 0.00 0.00 0.00 60.65 59.35 1mrl s ILE 134 Cb -0.16 -2.10 0.13 0.00 0.01 0.00 0.00 42.46 40.34 1mrl s ILE 134 CO 0.04 0.36 1.09 -0.83 0.00 0.00 0.00 174.94 175.60 1mrl s GLY 135 N 1.28 1.62 0.67 6.18 0.00 -0.49 -0.55 107.32 116.04 1mrl s GLY 135 Ca 0.02 -0.00 -0.17 0.00 0.00 0.00 0.00 44.72 44.56 1mrl s GLY 135 CO -0.09 0.47 0.72 1.22 0.00 0.00 0.00 173.10 175.42 1mrl n ASP 136 N -3.89 -0.39 -1.81 1.64 10.43 -1.26 -3.09 116.55 118.18 1mrl n ASP 136 Ca 0.07 0.68 -0.16 0.00 2.57 0.00 0.00 54.79 57.95 1mrl n ASP 136 Cb 0.55 -1.29 -0.05 0.00 1.84 0.00 0.00 41.12 42.17 1mrl n ASP 136 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1mrl n GLY 137 N 1.48 0.80 3.84 0.44 0.00 -0.30 0.17 105.19 111.62 1mrl n GLY 137 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1mrl n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrl s ALA 138 N -2.52 3.53 -0.16 4.61 0.00 -1.18 -3.53 121.76 122.52 1mrl s ALA 138 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 1mrl s ALA 138 Cb 0.00 -2.57 -0.00 0.00 0.00 0.00 0.00 23.12 20.54 1mrl s ALA 138 CO 0.00 0.43 -0.14 0.42 0.00 0.00 0.00 175.76 176.47 1mrl s ILE 139 N -1.56 2.73 -0.24 0.00 1.01 -0.52 -2.25 121.20 120.37 1mrl s ILE 139 Ca 0.41 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 60.26 1mrl s ILE 139 Cb -0.14 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 1mrl s ILE 139 CO 0.20 0.51 0.02 -0.69 0.00 0.00 0.00 174.94 174.97 1mrl s VAL 140 N 0.84 3.77 0.61 2.92 1.01 -0.26 -1.73 120.40 127.56 1mrl s VAL 140 Ca -0.05 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 1mrl s VAL 140 Cb -0.15 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1mrl s VAL 140 CO -0.00 0.33 1.32 0.00 0.00 0.00 0.00 175.10 176.75 1mrl s ALA 141 N 1.52 2.53 0.59 5.51 0.00 0.07 -1.00 121.76 130.98 1mrl s ALA 141 Ca 0.05 1.27 -0.20 0.00 0.00 0.00 0.00 51.96 53.08 1mrl s ALA 141 Cb -0.15 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 1mrl s ALA 141 CO -0.00 -1.53 1.33 0.00 0.00 0.00 0.00 175.76 175.55 1mrl s ALA 142 N -1.35 2.64 0.00 0.00 0.00 -1.26 -2.85 121.76 118.93 1mrl s ALA 142 Ca 0.79 1.27 0.00 0.00 0.00 0.00 0.00 51.96 54.02 1mrl s ALA 142 Cb -0.39 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1mrl s ALA 142 CO 0.43 -1.44 0.00 0.09 0.00 0.00 0.00 175.76 174.83 1mrl n ASN 143 N -1.39 -3.25 -4.78 0.00 3.02 0.52 -4.85 115.26 104.53 1mrl n ASN 143 Ca 0.13 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.36 1mrl n ASN 143 Cb 0.46 -1.65 0.05 0.00 -0.61 0.00 0.00 39.78 38.04 1mrl n ASN 143 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1mrl s SER 144 N -2.14 5.11 -0.34 6.41 0.01 -1.13 -4.83 113.70 116.79 1mrl s SER 144 Ca 0.00 1.86 0.01 0.00 1.31 0.00 0.00 55.95 59.13 1mrl s SER 144 Cb 0.00 -2.53 0.11 0.00 0.21 0.00 0.00 66.02 63.81 1mrl s SER 144 CO 0.00 -1.62 0.11 -0.69 0.41 0.00 0.00 173.24 171.45 1mrl s VAL 145 N -2.62 1.38 -0.36 3.43 1.01 -0.59 -1.43 120.40 121.22 1mrl s VAL 145 Ca 0.63 -1.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.47 1mrl s VAL 145 Cb -0.18 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1mrl s VAL 145 CO 0.47 -0.69 0.93 -0.69 0.00 0.00 0.00 175.10 175.11 1mrl s VAL 146 N 1.18 4.59 -0.07 2.92 1.01 -0.77 -1.76 120.40 127.50 1mrl s VAL 146 Ca 0.12 1.23 0.11 0.00 0.00 0.00 0.00 61.98 63.44 1mrl s VAL 146 Cb -0.19 -4.33 -0.16 0.00 0.00 0.00 0.00 36.38 31.70 1mrl s VAL 146 CO -0.16 -0.51 0.14 1.33 0.00 0.00 0.00 175.10 175.90 1mrl n VAL 147 N 5.94 0.42 -4.47 2.92 0.24 -1.26 -1.97 118.33 120.14 1mrl n VAL 147 Ca 0.07 -0.38 -0.24 0.00 -2.04 0.00 0.00 64.34 61.75 1mrl n VAL 147 Cb 0.48 -0.28 -0.10 0.00 -1.47 0.00 0.00 33.84 32.46 1mrl n VAL 147 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1mrl s LYS 148 N -2.53 1.66 0.89 7.34 -2.85 -1.26 -4.81 119.74 118.18 1mrl s LYS 148 Ca -0.05 -1.78 -0.12 0.00 -1.00 0.00 0.00 55.97 53.02 1mrl s LYS 148 Cb 0.05 -1.64 0.09 0.00 -2.06 0.00 0.00 37.83 34.27 1mrl s LYS 148 CO 0.48 0.26 0.94 -0.25 0.10 0.00 0.00 175.35 176.87 1mrl n ASP 149 N -0.62 -0.19 -4.03 0.03 8.00 -1.26 -4.80 116.55 113.68 1mrl n ASP 149 Ca -0.05 0.45 -0.25 0.00 0.71 0.00 0.00 54.79 55.65 1mrl n ASP 149 Cb 0.61 -1.40 -0.17 0.00 -0.02 0.00 0.00 41.12 40.14 1mrl n ASP 149 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1mrl s ILE 150 N -2.39 1.16 0.81 0.53 1.01 -0.22 -4.96 121.20 117.13 1mrl s ILE 150 Ca 0.66 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 1mrl s ILE 150 Cb -0.25 -1.06 0.08 0.00 0.01 0.00 0.00 42.46 41.24 1mrl s ILE 150 CO 0.58 0.36 1.09 0.00 0.00 0.00 0.00 174.94 176.98 1mrl s ALA 151 N 0.65 2.12 0.40 9.38 0.00 -1.26 -1.39 121.76 131.66 1mrl s ALA 151 Ca -0.15 -0.09 -0.27 0.00 0.00 0.00 0.00 51.96 51.46 1mrl s ALA 151 Cb -0.16 -3.15 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1mrl s ALA 151 CO 0.04 -1.83 1.42 -2.30 0.00 0.00 0.00 175.76 173.09 1mrl n PRO 152 N -3.52 2.40 -4.02 0.00 -0.02 -1.26 -3.24 135.00 125.32 1mrl n PRO 152 Ca 0.07 0.84 -0.31 0.00 -2.02 0.00 0.00 63.50 62.09 1mrl n PRO 152 Cb 0.55 -2.58 -0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1mrl n PRO 152 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1mrl n TYR 153 N 0.17 -1.91 -4.34 6.00 4.02 0.13 -4.90 117.16 116.33 1mrl n TYR 153 Ca 0.03 0.82 -0.26 0.00 -0.01 0.00 0.00 57.90 58.48 1mrl n TYR 153 Cb 0.39 -3.57 -0.10 0.00 -0.02 0.00 0.00 39.34 36.05 1mrl n TYR 153 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 1mrl s MET 154 N -6.67 1.91 -0.22 -0.72 -1.94 -1.20 -2.06 119.30 108.40 1mrl s MET 154 Ca 0.48 -1.38 -0.05 0.00 -1.71 0.00 0.00 55.69 53.04 1mrl s MET 154 Cb -0.26 -2.05 -0.02 0.00 2.01 0.00 0.00 34.83 34.51 1mrl s MET 154 CO 0.88 0.41 0.01 -1.17 -0.01 0.00 0.00 175.02 175.14 1mrl s LEU 155 N -2.89 3.19 0.04 -0.03 2.96 0.42 -1.44 118.68 120.93 1mrl s LEU 155 Ca 0.25 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 1mrl s LEU 155 Cb -0.08 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1mrl s LEU 155 CO 0.14 0.01 -0.12 0.00 -1.32 0.00 0.00 176.35 175.05 1mrl s ALA 156 N 1.35 1.02 0.27 5.97 0.00 -0.70 0.15 121.76 129.81 1mrl s ALA 156 Ca 0.04 -0.82 -0.21 0.00 0.00 0.00 0.00 51.96 50.98 1mrl s ALA 156 Cb -0.15 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1mrl s ALA 156 CO 0.01 0.16 0.72 0.20 0.00 0.00 0.00 175.76 176.84 1mrl s GLY 157 N -1.29 -0.12 0.00 0.00 0.00 -0.99 -0.75 107.32 104.17 1mrl s GLY 157 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1mrl s GLY 157 CO 0.01 -0.08 0.00 0.61 0.00 0.00 0.00 173.10 173.65 1mrl n GLY 158 N -0.46 0.74 2.63 0.20 0.00 -1.26 -0.86 105.19 106.18 1mrl n GLY 158 Ca -0.05 -2.17 -0.24 0.00 0.00 0.00 0.00 46.02 43.57 1mrl n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mrl s ASN 159 N 0.00 2.65 0.63 1.61 3.04 -1.26 -1.55 114.94 120.06 1mrl s ASN 159 Ca 0.00 -1.15 -0.16 0.00 0.04 0.00 0.00 52.86 51.59 1mrl s ASN 159 Cb 0.00 0.03 -0.01 0.00 -1.54 0.00 0.00 41.25 39.73 1mrl s ASN 159 CO 0.00 -0.40 1.10 -2.16 -3.04 0.00 0.00 177.10 172.60 1mrl s PRO 160 N 2.10 2.98 0.35 0.43 0.04 -1.26 -5.01 135.00 134.63 1mrl s PRO 160 Ca 0.10 1.37 -0.27 0.00 0.04 0.00 0.00 61.00 62.24 1mrl s PRO 160 Cb -0.16 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1mrl s PRO 160 CO -0.31 -1.11 1.22 0.00 0.04 0.00 0.00 177.00 176.84 1mrl s ALA 161 N -2.30 3.33 0.04 8.56 0.00 -0.72 -4.93 121.76 125.74 1mrl s ALA 161 Ca 0.67 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.76 1mrl s ALA 161 Cb -0.20 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 1mrl s ALA 161 CO 0.39 -0.53 -0.13 -0.80 0.00 0.00 0.00 175.76 174.68 1mrl s ASN 162 N -0.82 1.55 -0.04 0.00 0.02 -0.04 -4.81 114.94 110.79 1mrl s ASN 162 Ca 0.52 -0.45 -0.30 0.00 -1.02 0.00 0.00 52.86 51.61 1mrl s ASN 162 Cb -0.35 -0.09 -0.05 0.00 0.02 0.00 0.00 41.25 40.78 1mrl s ASN 162 CO 0.45 0.01 1.58 -1.61 0.02 0.00 0.00 177.10 177.56 1mrl s GLU 163 N -1.14 4.20 -0.24 -0.60 2.02 -1.26 -2.34 118.70 119.33 1mrl s GLU 163 Ca 0.01 2.13 -0.05 0.00 0.02 0.00 0.00 54.97 57.07 1mrl s GLU 163 Cb -0.08 -3.87 -0.17 0.00 0.10 0.00 0.00 34.13 30.11 1mrl s GLU 163 CO 0.01 -0.78 -0.14 -0.89 0.02 0.00 0.00 175.26 173.48 1mrl n ILE 164 N 5.27 1.55 -3.61 -1.63 5.41 0.40 -4.96 119.36 121.78 1mrl n ILE 164 Ca 0.16 -0.50 -0.15 0.00 1.00 0.00 0.00 62.75 63.25 1mrl n ILE 164 Cb 0.43 -1.62 -0.07 0.00 -0.71 0.00 0.00 39.64 37.67 1mrl n ILE 164 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1mrl s LYS 165 N -2.51 0.93 -0.30 0.38 2.20 -1.12 -4.99 119.74 114.33 1mrl s LYS 165 Ca -0.34 -0.01 -0.18 0.00 -0.36 0.00 0.00 55.97 55.08 1mrl s LYS 165 Cb 0.10 0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 36.83 1mrl s LYS 165 CO 0.60 -0.29 0.54 -1.14 -0.36 0.00 0.00 175.35 174.69 1mrl s GLN 166 N -1.54 3.90 0.24 4.03 0.74 -1.26 -0.44 119.66 125.33 1mrl s GLN 166 Ca -0.10 0.17 -0.05 0.00 0.05 0.00 0.00 55.36 55.43 1mrl s GLN 166 Cb -0.02 -3.71 0.40 0.00 1.10 0.00 0.00 33.01 30.78 1mrl s GLN 166 CO 0.05 -0.48 1.76 0.00 -0.55 0.00 0.00 175.29 176.07 1mrl h ARG 167 N 8.19 0.55 0.00 1.67 3.08 -1.77 -3.45 114.38 122.65 1mrl h ARG 167 Ca -0.28 -0.03 -0.38 0.00 0.07 0.00 0.00 59.98 59.36 1mrl h ARG 167 Cb 1.13 -0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.97 1mrl h ARG 167 CO 0.75 0.36 -0.34 1.19 -1.07 0.00 0.00 179.97 180.86 1mrl n PHE 168 N -4.90 -0.23 -1.96 3.04 3.72 -1.26 -5.15 117.46 110.72 1mrl n PHE 168 Ca 0.13 -1.97 -0.30 0.00 -0.05 0.00 0.00 57.45 55.27 1mrl n PHE 168 Cb 0.34 0.10 0.04 0.00 -0.94 0.00 0.00 39.48 39.03 1mrl n PHE 168 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1mrl s ASP 169 N -2.76 5.46 0.13 4.37 1.47 -1.26 -4.89 116.67 119.19 1mrl s ASP 169 Ca 0.22 1.06 -0.25 0.00 1.18 0.00 0.00 52.55 54.76 1mrl s ASP 169 Cb 0.01 -1.89 -0.03 0.00 -0.34 0.00 0.00 42.92 40.67 1mrl s ASP 169 CO 0.15 -1.30 1.63 1.56 0.68 0.00 0.00 175.17 177.89 1mrl h GLN 170 N -0.59 -0.36 -0.79 2.11 1.08 -1.99 -2.35 115.11 112.22 1mrl h GLN 170 Ca -0.45 0.02 0.16 0.00 -1.45 0.00 0.00 58.65 56.93 1mrl h GLN 170 Cb 1.25 0.08 -0.10 0.00 -0.05 0.00 0.00 27.48 28.66 1mrl h GLN 170 CO 0.63 -0.24 0.31 0.22 -0.95 0.00 0.00 178.83 178.80 1mrl h ASP 171 N -0.38 0.27 0.27 1.46 1.82 -1.98 0.31 116.42 118.18 1mrl h ASP 171 Ca 0.08 0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.83 1mrl h ASP 171 Cb 0.50 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.62 1mrl h ASP 171 CO -0.29 0.07 -0.13 0.74 -1.61 0.00 0.00 179.24 178.03 1mrl h THR 172 N 0.42 0.75 -0.46 2.25 2.02 -1.84 -0.21 112.91 115.84 1mrl h THR 172 Ca 0.45 -0.10 0.06 0.00 0.77 0.00 0.00 66.41 67.59 1mrl h THR 172 Cb 0.72 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.89 1mrl h THR 172 CO -0.44 0.02 0.16 0.40 0.37 0.00 0.00 175.52 176.03 1mrl h ILE 173 N -0.41 0.84 -0.73 3.11 2.04 -0.77 0.88 117.51 122.47 1mrl h ILE 173 Ca -0.04 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.78 1mrl h ILE 173 Cb 0.31 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 1mrl h ILE 173 CO 0.06 0.06 0.41 0.78 0.00 0.00 0.00 178.15 179.46 1mrl h ASN 174 N 0.32 0.60 -0.22 1.72 4.21 -0.19 0.18 115.58 122.20 1mrl h ASN 174 Ca 0.22 0.04 -0.04 0.00 1.21 0.00 0.00 56.30 57.73 1mrl h ASN 174 Cb 0.23 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 1mrl h ASN 174 CO -0.23 0.37 -0.01 1.56 -1.29 0.00 0.00 177.43 177.83 1mrl h GLN 175 N 0.73 0.40 -0.60 0.81 4.20 -0.20 -2.86 115.11 117.59 1mrl h GLN 175 Ca 0.34 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.92 1mrl h GLN 175 Cb 0.25 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1mrl h GLN 175 CO -0.21 0.60 0.39 -0.07 -0.67 0.00 0.00 178.83 178.87 1mrl h LEU 176 N 0.16 0.67 -0.79 1.46 3.38 -0.34 -1.48 115.31 118.38 1mrl h LEU 176 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1mrl h LEU 176 Cb 0.43 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1mrl h LEU 176 CO 0.01 0.48 0.00 0.18 0.09 0.00 0.00 178.44 179.21 1mrl n LEU 177 N -4.68 0.66 -0.02 1.67 4.77 0.00 -2.38 117.00 117.02 1mrl n LEU 177 Ca 0.05 0.68 -0.15 0.00 -0.03 0.00 0.00 56.01 56.55 1mrl n LEU 177 Cb 0.03 -0.60 -0.14 0.00 -2.33 0.00 0.00 43.42 40.38 1mrl n LEU 177 CO 0.35 -0.61 -0.75 -0.67 -1.33 0.00 0.00 177.39 174.38 1mrl n ASP 178 N -2.25 1.44 0.02 -1.43 2.03 -0.62 -4.42 116.55 111.32 1mrl n ASP 178 Ca 0.02 0.26 -0.10 0.00 0.52 0.00 0.00 54.79 55.48 1mrl n ASP 178 Cb 0.21 -0.36 -0.14 0.00 -0.72 0.00 0.00 41.12 40.11 1mrl n ASP 178 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1mrl h ILE 179 N 0.03 1.11 -6.32 5.18 3.07 -1.29 -3.49 117.51 115.80 1mrl h ILE 179 Ca -0.39 -2.88 -0.35 0.00 1.55 0.00 0.00 64.86 62.79 1mrl h ILE 179 Cb 2.03 2.59 0.01 0.00 -0.27 0.00 0.00 36.82 41.18 1mrl h ILE 179 CO 0.07 0.69 -0.76 0.29 -1.05 0.00 0.00 178.15 177.39 1mrl n LYS 180 N -3.22 -1.42 0.21 0.16 5.02 -1.00 -4.81 118.16 113.10 1mrl n LYS 180 Ca -0.13 0.93 0.17 0.00 -2.02 0.00 0.00 58.31 57.26 1mrl n LYS 180 Cb 1.02 -3.43 0.82 0.00 -0.02 0.00 0.00 35.03 33.42 1mrl n LYS 180 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 1mrl h TRP 181 N -0.24 0.00 0.00 2.13 5.08 -1.95 -1.30 115.95 119.67 1mrl h TRP 181 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.52 1mrl h TRP 181 Cb 1.28 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.44 1mrl h TRP 181 CO 0.23 0.00 0.00 -2.67 -1.28 0.00 0.00 178.44 174.72 1mrl n TRP 182 N -3.88 0.12 0.80 0.12 2.14 -1.26 -2.18 117.44 113.30 1mrl n TRP 182 Ca 0.01 0.05 0.11 0.00 2.07 0.00 0.00 57.50 59.74 1mrl n TRP 182 Cb 0.30 -0.58 0.12 0.00 -0.81 0.00 0.00 31.31 30.33 1mrl n TRP 182 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1mrl n ASN 183 N -1.61 2.98 -4.82 -0.67 3.02 -0.49 -4.97 115.26 108.69 1mrl n ASN 183 Ca 0.02 -1.94 -0.32 0.00 -0.03 0.00 0.00 54.58 52.31 1mrl n ASN 183 Cb 0.14 -0.05 0.02 0.00 -0.61 0.00 0.00 39.78 39.28 1mrl n ASN 183 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1mrl s TRP 184 N -1.78 3.15 0.29 3.10 0.51 -0.93 -5.00 118.94 118.28 1mrl s TRP 184 Ca 0.28 1.45 -0.30 0.00 -2.12 0.00 0.00 56.10 55.42 1mrl s TRP 184 Cb 0.19 -2.91 -0.11 0.00 -0.81 0.00 0.00 33.47 29.84 1mrl s TRP 184 CO 0.29 -1.02 1.48 -2.14 -0.51 0.00 0.00 176.95 175.05 1mrl s PRO 185 N -4.52 4.20 0.42 4.98 0.02 -1.26 -4.81 135.00 134.03 1mrl s PRO 185 Ca 0.60 2.42 0.26 0.00 0.02 0.00 0.00 61.00 64.30 1mrl s PRO 185 Cb -0.14 -3.06 1.32 0.00 0.02 0.00 0.00 34.50 32.64 1mrl s PRO 185 CO 0.44 -0.48 1.66 0.97 -0.33 0.00 0.00 177.00 179.26 1mrl h ILE 186 N 3.36 0.22 -0.50 2.83 6.09 -1.97 0.20 117.51 127.73 1mrl h ILE 186 Ca -0.47 -0.06 -0.03 0.00 -1.37 0.00 0.00 64.86 62.93 1mrl h ILE 186 Cb 1.22 0.04 -0.02 0.00 0.47 0.00 0.00 36.82 38.53 1mrl h ILE 186 CO 0.75 0.03 0.20 0.44 -3.07 0.00 0.00 178.15 176.50 1mrl h ASP 187 N 0.17 0.69 0.32 2.19 3.32 -1.95 -1.92 116.42 119.23 1mrl h ASP 187 Ca 0.76 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 57.53 1mrl h ASP 187 Cb 2.24 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 41.60 1mrl h ASP 187 CO -0.43 0.67 -0.46 0.40 -1.72 0.00 0.00 179.24 177.70 1mrl h ILE 188 N 0.67 1.33 -0.15 0.35 2.04 -0.97 -2.96 117.51 117.82 1mrl h ILE 188 Ca 0.17 -1.64 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 1mrl h ILE 188 Cb 0.19 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1mrl h ILE 188 CO -0.01 0.48 0.05 0.40 0.00 0.00 0.00 178.15 179.07 1mrl h ILE 189 N 0.15 1.17 -0.82 -0.67 2.04 -1.18 -3.00 117.51 115.20 1mrl h ILE 189 Ca 0.01 -0.53 0.22 0.00 1.00 0.00 0.00 64.86 65.55 1mrl h ILE 189 Cb 0.88 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 1mrl h ILE 189 CO 0.07 0.16 0.57 0.78 0.00 0.00 0.00 178.15 179.74 1mrl h ASN 190 N 0.08 0.14 -0.32 1.72 2.35 -1.18 0.15 115.58 118.53 1mrl h ASN 190 Ca 0.05 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1mrl h ASN 190 Cb 0.21 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1mrl h ASN 190 CO -0.00 0.06 0.00 -0.62 -1.65 0.00 0.00 177.43 175.22 1mrl n GLU 191 N -4.37 1.75 0.00 0.81 4.71 -1.13 -3.91 120.64 118.49 1mrl n GLU 191 Ca 0.17 -1.17 0.00 0.00 -0.01 0.00 0.00 57.16 56.15 1mrl n GLU 191 Cb 0.80 -1.27 0.00 0.00 -1.01 0.00 0.00 31.44 29.96 1mrl n GLU 191 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1mrl n ASN 192 N 0.44 0.00 -0.25 1.62 3.02 0.44 -4.90 115.26 115.64 1mrl n ASN 192 Ca 0.11 -1.00 0.05 0.00 -0.03 0.00 0.00 54.58 53.72 1mrl n ASN 192 Cb 0.28 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.62 1mrl n ASN 192 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1mrl h ILE 193 N 2.05 0.47 -0.38 2.41 2.04 -1.41 0.33 117.51 123.02 1mrl h ILE 193 Ca 0.00 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 1mrl h ILE 193 Cb 0.76 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1mrl h ILE 193 CO 0.00 0.04 -0.05 0.44 0.00 0.00 0.00 178.15 178.58 1mrl h ASP 194 N 0.22 0.61 0.44 1.72 3.32 -1.89 0.24 116.42 121.08 1mrl h ASP 194 Ca 0.41 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 57.18 1mrl h ASP 194 Cb 0.72 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1mrl h ASP 194 CO -0.55 0.72 -0.58 0.11 -1.72 0.00 0.00 179.24 177.22 1mrl h LYS 195 N 0.59 0.14 -0.09 3.56 6.56 -1.10 -2.85 116.57 123.38 1mrl h LYS 195 Ca 0.11 -0.09 -0.20 0.00 -1.06 0.00 0.00 60.65 59.42 1mrl h LYS 195 Cb 0.45 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1mrl h LYS 195 CO 0.02 0.68 -0.75 0.82 -2.06 0.00 0.00 179.45 178.16 1mrl h ILE 196 N 0.11 1.36 0.00 1.86 2.04 0.07 -1.89 117.51 121.05 1mrl h ILE 196 Ca -0.00 -2.12 -0.06 0.00 1.00 0.00 0.00 64.86 63.67 1mrl h ILE 196 Cb 1.05 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 1mrl h ILE 196 CO 0.08 0.65 -0.30 -0.07 0.00 0.00 0.00 178.15 178.51 1mrl h LEU 197 N 0.33 0.00 -3.07 1.44 3.38 -0.79 -3.14 115.31 113.45 1mrl h LEU 197 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1mrl h LEU 197 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1mrl h LEU 197 CO 0.14 0.30 0.00 -0.90 0.09 0.00 0.00 178.44 178.07 1mrl n ASP 198 N -3.90 3.10 -0.08 -0.43 5.75 -1.09 -4.98 116.55 114.91 1mrl n ASP 198 Ca -0.02 -2.59 -0.01 0.00 -0.01 0.00 0.00 54.79 52.16 1mrl n ASP 198 Cb 0.37 -0.36 -0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1mrl n ASP 198 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1mrl n ASN 199 N -0.35 -5.30 0.00 -1.12 4.13 -1.06 -4.84 115.26 106.71 1mrl n ASN 199 Ca 0.15 0.03 0.15 0.00 1.68 0.00 0.00 54.58 56.58 1mrl n ASN 199 Cb 0.63 -2.90 0.81 0.00 -1.54 0.00 0.00 39.78 36.78 1mrl n ASN 199 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1mrl n SER 200 N -0.77 0.00 0.00 6.41 3.41 -0.74 -3.47 113.62 118.47 1mrl n SER 200 Ca -0.01 -0.55 0.11 0.00 -0.26 0.00 0.00 58.87 58.15 1mrl n SER 200 Cb 0.40 -0.14 0.51 0.00 -0.26 0.00 0.00 64.21 64.72 1mrl n SER 200 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mrl n ILE 201 N -1.14 0.40 0.71 -1.33 3.06 -1.05 -2.47 119.36 117.55 1mrl n ILE 201 Ca 0.18 0.10 0.13 0.00 -2.50 0.00 0.00 62.75 60.66 1mrl n ILE 201 Cb 0.16 -0.73 0.42 0.00 0.54 0.00 0.00 39.64 40.03 1mrl n ILE 201 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 1mrl n ILE 202 N -1.38 0.41 -1.70 9.51 -5.35 -1.23 -3.84 119.36 115.78 1mrl n ILE 202 Ca 0.08 -0.21 -0.29 0.00 -0.27 0.00 0.00 62.75 62.06 1mrl n ILE 202 Cb 0.21 -0.48 0.05 0.00 -1.74 0.00 0.00 39.64 37.68 1mrl n ILE 202 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1mrl n ARG 203 N -2.05 3.19 0.00 6.28 1.74 -1.03 -5.08 116.66 119.71 1mrl n ARG 203 Ca 0.06 -3.76 0.06 0.00 -0.77 0.00 0.00 57.85 53.43 1mrl n ARG 203 Cb 0.41 -2.28 0.05 0.00 -1.02 0.00 0.00 32.46 29.61 1mrl n ARG 203 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50