#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mnl s GLU 2 N 0.00 0.67 0.22 1.61 2.12 -0.17 -4.91 118.70 118.25 1mnl s GLU 2 Ca 0.00 -0.37 -0.21 0.00 0.36 0.00 0.00 54.97 54.75 1mnl s GLU 2 Cb 0.00 0.23 0.04 0.00 0.26 0.00 0.00 34.13 34.66 1mnl s GLU 2 CO 0.00 -0.31 0.65 1.67 -0.54 0.00 0.00 175.26 176.73 1mnl s TRP 3 N -2.72 -0.31 -0.15 5.30 -2.14 -1.26 -1.14 118.94 116.53 1mnl s TRP 3 Ca 0.14 -0.04 -0.33 0.00 2.66 0.00 0.00 56.10 58.52 1mnl s TRP 3 Cb 0.03 0.61 0.13 0.00 -3.10 0.00 0.00 33.47 31.14 1mnl s TRP 3 CO -0.02 -1.05 1.12 -1.83 -2.66 0.00 0.00 176.95 172.51 1mnl s GLU 4 N -3.85 0.44 0.43 3.25 -1.05 0.40 -4.97 118.70 113.36 1mnl s GLU 4 Ca 0.07 -0.13 0.06 0.00 -0.15 0.00 0.00 54.97 54.82 1mnl s GLU 4 Cb -0.03 0.20 -0.05 0.00 -0.44 0.00 0.00 34.13 33.81 1mnl s GLU 4 CO -0.02 -0.19 0.10 -1.50 0.95 0.00 0.00 175.26 174.60 1mnl s ILE 5 N -2.42 1.97 0.25 1.83 2.07 -1.26 -0.15 121.20 123.48 1mnl s ILE 5 Ca 0.07 -1.85 -0.03 0.00 -1.41 0.00 0.00 60.65 57.43 1mnl s ILE 5 Cb -0.01 -2.82 0.01 0.00 0.13 0.00 0.00 42.46 39.77 1mnl s ILE 5 CO -0.05 0.00 0.37 2.30 -1.91 0.00 0.00 174.94 175.65 1mnl n ILE 6 N -1.17 0.00 -3.46 2.00 -0.00 -0.86 -4.89 119.36 110.99 1mnl n ILE 6 Ca -0.05 -1.11 0.03 0.00 -0.00 0.00 0.00 62.75 61.62 1mnl n ILE 6 Cb 0.66 0.73 -0.05 0.00 -0.00 0.00 0.00 39.64 40.98 1mnl n ILE 6 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.55 178.06 1mnl s ASP 7 N -2.47 -0.03 -0.32 7.28 1.47 -1.26 -4.25 116.67 117.09 1mnl s ASP 7 Ca 0.18 0.05 0.00 0.00 1.18 0.00 0.00 52.55 53.96 1mnl s ASP 7 Cb -0.01 1.03 0.00 0.00 -0.34 0.00 0.00 42.92 43.59 1mnl s ASP 7 CO 0.13 -0.01 0.00 0.00 0.68 0.00 0.00 175.17 175.97 1mnl n ILE 8 N 3.64 -0.09 0.00 2.11 0.13 0.78 -4.73 119.36 121.20 1mnl n ILE 8 Ca -0.13 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.52 1mnl n ILE 8 Cb 0.56 -0.41 0.00 0.00 -0.84 0.00 0.00 39.64 38.95 1mnl n ILE 8 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1mnl n GLY 9 N -0.35 1.20 0.00 4.50 0.00 -1.26 -4.97 105.19 104.31 1mnl n GLY 9 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1mnl n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mnl n PRO 10 N 0.00 0.00 -0.47 1.61 -0.04 -1.26 -3.25 135.00 131.59 1mnl n PRO 10 Ca 0.00 0.34 0.41 0.00 -0.04 0.00 0.00 63.50 64.21 1mnl n PRO 10 Cb 0.00 -0.84 0.63 0.00 -0.04 0.00 0.00 33.50 33.26 1mnl n PRO 10 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1mnl h PHE 11 N 0.00 0.00 0.60 0.54 -1.00 -1.96 0.90 116.94 116.02 1mnl h PHE 11 Ca 0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1mnl h PHE 11 Cb 0.00 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.57 1mnl h PHE 11 CO 0.00 0.00 -0.29 1.79 -1.61 0.00 0.00 178.31 178.20 1mnl h THR 12 N 0.00 0.00 -0.01 -1.55 1.35 -1.94 1.52 112.91 112.29 1mnl h THR 12 Ca 0.72 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 66.35 1mnl h THR 12 Cb 3.38 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1mnl h THR 12 CO -0.01 0.00 0.01 1.56 -0.25 0.00 0.00 175.52 176.83 1mnl h GLN 13 N -1.04 0.00 -0.03 4.72 4.20 0.57 -1.58 115.11 121.96 1mnl h GLN 13 Ca -0.08 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1mnl h GLN 13 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1mnl h GLN 13 CO 0.13 0.00 -0.27 -0.97 -0.67 0.00 0.00 178.83 177.06 1mnl h ASN 14 N 0.00 0.28 0.00 1.46 -0.73 0.23 -2.97 115.58 113.85 1mnl h ASN 14 Ca 0.00 -0.71 0.00 0.00 1.87 0.00 0.00 56.30 57.47 1mnl h ASN 14 Cb 0.02 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.52 1mnl h ASN 14 CO -0.00 0.95 0.00 -0.11 -0.37 0.00 0.00 177.43 177.90 1mnl n LEU 15 N -4.49 0.00 -0.38 0.34 -0.00 0.52 0.73 117.00 113.72 1mnl n LEU 15 Ca -0.09 0.98 0.30 0.00 -0.00 0.00 0.00 56.01 57.20 1mnl n LEU 15 Cb 0.49 -0.48 0.57 0.00 -0.00 0.00 0.00 43.42 44.00 1mnl n LEU 15 CO 0.40 -0.48 1.19 1.23 -0.00 0.00 0.00 177.39 179.73 1mnl h GLY 16 N 0.00 1.55 0.00 -3.96 0.00 -1.43 0.67 103.07 99.89 1mnl h GLY 16 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1mnl h GLY 16 CO 0.00 -0.39 0.00 0.28 0.00 0.00 0.00 176.54 176.43 1mnl n LYS 17 N -4.81 0.00 -0.33 4.80 5.02 0.23 -1.57 118.16 121.50 1mnl n LYS 17 Ca 0.33 0.00 0.28 0.00 -2.02 0.00 0.00 58.31 56.90 1mnl n LYS 17 Cb 1.18 -0.38 0.52 0.00 -0.02 0.00 0.00 35.03 36.32 1mnl n LYS 17 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1mnl h PHE 18 N 0.00 0.67 0.17 2.13 -1.00 0.09 -0.56 116.94 118.44 1mnl h PHE 18 Ca 0.00 0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1mnl h PHE 18 Cb 0.00 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.44 1mnl h PHE 18 CO 0.00 -0.44 -0.09 0.00 -1.61 0.00 0.00 178.31 176.17 1mnl h ALA 19 N 1.98 -1.05 -1.60 2.45 0.00 0.24 1.04 119.26 122.33 1mnl h ALA 19 Ca 0.79 -0.05 0.46 0.00 0.00 0.00 0.00 54.91 56.11 1mnl h ALA 19 Cb 1.99 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.83 1mnl h ALA 19 CO -0.78 -1.03 1.28 0.28 0.00 0.00 0.00 179.25 178.99 1mnl n VAL 20 N -2.65 0.00 0.00 0.00 0.31 -0.27 0.23 118.33 115.95 1mnl n VAL 20 Ca -0.03 1.32 0.00 0.00 -0.01 0.00 0.00 64.34 65.63 1mnl n VAL 20 Cb 0.09 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 30.77 1mnl n VAL 20 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1mnl n ASP 21 N -3.59 0.00 0.07 4.52 9.92 -0.76 -2.73 116.55 123.99 1mnl n ASP 21 Ca 0.36 0.08 0.19 0.00 -0.53 0.00 0.00 54.79 54.89 1mnl n ASP 21 Cb 1.76 -0.32 0.73 0.00 -0.64 0.00 0.00 41.12 42.64 1mnl n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1mnl h GLU 22 N 0.00 0.00 0.15 -1.24 4.39 0.15 1.47 114.58 119.49 1mnl h GLU 22 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1mnl h GLU 22 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1mnl h GLU 22 CO 0.00 0.00 -0.07 1.49 -1.16 0.00 0.00 179.01 179.27 1mnl h GLU 23 N 0.00 -0.19 -0.58 2.33 4.22 0.28 0.69 114.58 121.33 1mnl h GLU 23 Ca 0.19 0.01 0.11 0.00 0.08 0.00 0.00 59.36 59.76 1mnl h GLU 23 Cb 0.89 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.10 1mnl h GLU 23 CO -0.00 -0.13 0.10 -0.91 -2.18 0.00 0.00 179.01 175.89 1mnl h ASN 24 N -0.94 -0.04 -0.11 1.04 4.21 -1.21 0.33 115.58 118.85 1mnl h ASN 24 Ca -0.02 0.11 0.04 0.00 1.21 0.00 0.00 56.30 57.64 1mnl h ASN 24 Cb 0.15 0.17 -0.04 0.00 -1.12 0.00 0.00 38.32 37.48 1mnl h ASN 24 CO 0.03 -0.01 -0.14 0.11 -1.29 0.00 0.00 177.43 176.14 1mnl h LYS 25 N 0.23 -0.17 -0.20 0.81 1.79 0.20 0.56 116.57 119.79 1mnl h LYS 25 Ca 0.30 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.84 1mnl h LYS 25 Cb 0.45 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 1mnl h LYS 25 CO -0.41 -0.11 0.46 0.82 -1.08 0.00 0.00 179.45 179.12 1mnl h ILE 26 N -0.18 0.14 -2.67 1.86 1.08 0.40 -3.45 117.51 114.69 1mnl h ILE 26 Ca 0.08 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.55 1mnl h ILE 26 Cb 0.30 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 1mnl h ILE 26 CO -0.21 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.86 1mnl n GLY 27 N -1.36 0.11 1.15 5.37 0.00 0.20 -5.05 105.19 105.60 1mnl n GLY 27 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1mnl n GLY 27 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mnl n GLN 28 N -1.00 0.00 0.00 1.61 -0.06 -1.19 -5.02 117.38 111.71 1mnl n GLN 28 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1mnl n GLN 28 Cb 0.44 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.62 1mnl n GLN 28 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 1mnl n TYR 29 N -2.25 0.00 0.00 3.69 9.36 -1.26 -5.06 117.16 121.64 1mnl n TYR 29 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1mnl n TYR 29 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1mnl n TYR 29 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1mnl n GLY 30 N 2.23 1.36 0.00 2.98 0.00 -1.26 -5.01 105.19 105.49 1mnl n GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mnl n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mnl n ARG 31 N -0.34 0.00 -4.34 1.61 1.74 -1.26 -5.08 116.66 108.98 1mnl n ARG 31 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 1mnl n ARG 31 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.34 1mnl n ARG 31 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mnl s LEU 32 N -1.42 2.16 -0.44 0.55 1.43 -1.26 -4.96 118.68 114.74 1mnl s LEU 32 Ca 0.00 -1.24 0.07 0.00 -1.03 0.00 0.00 54.13 51.93 1mnl s LEU 32 Cb 0.00 -0.26 0.31 0.00 0.03 0.00 0.00 46.19 46.27 1mnl s LEU 32 CO 0.00 -0.53 0.96 0.41 0.23 0.00 0.00 176.35 177.42 1mnl n THR 33 N -0.44 -0.08 0.00 5.49 -1.04 -1.26 -4.88 114.28 112.07 1mnl n THR 33 Ca -0.05 -2.34 0.00 0.00 -2.04 0.00 0.00 64.05 59.63 1mnl n THR 33 Cb 0.64 0.89 0.00 0.00 -1.82 0.00 0.00 70.33 70.04 1mnl n THR 33 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1mnl n PHE 34 N 0.63 0.00 0.01 -1.42 7.35 -1.26 -3.01 117.46 119.76 1mnl n PHE 34 Ca 0.12 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.78 1mnl n PHE 34 Cb 0.67 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.49 1mnl n PHE 34 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1mnl n ASN 35 N 0.00 0.89 0.00 -2.13 5.15 -1.26 -4.86 115.26 113.06 1mnl n ASN 35 Ca 0.00 0.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 1mnl n ASN 35 Cb 0.00 -0.30 0.00 0.00 -0.53 0.00 0.00 39.78 38.95 1mnl n ASN 35 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1mnl n LYS 36 N -3.47 0.00 -3.82 1.20 4.76 -1.15 -4.95 118.16 110.72 1mnl n LYS 36 Ca -0.04 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.34 1mnl n LYS 36 Cb 0.25 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.44 1mnl n LYS 36 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1mnl s VAL 37 N 0.00 0.00 -0.24 -0.18 1.01 -0.30 -4.95 120.40 115.74 1mnl s VAL 37 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1mnl s VAL 37 Cb 0.00 -2.44 0.05 0.00 0.00 0.00 0.00 36.38 33.99 1mnl s VAL 37 CO 0.00 0.00 -0.11 -0.63 0.00 0.00 0.00 175.10 174.36 1mnl s ILE 38 N -2.92 1.99 0.06 2.22 1.01 -1.26 -1.54 121.20 120.76 1mnl s ILE 38 Ca 0.15 -1.39 -0.01 0.00 0.00 0.00 0.00 60.65 59.40 1mnl s ILE 38 Cb -0.04 -2.07 -0.00 0.00 0.01 0.00 0.00 42.46 40.36 1mnl s ILE 38 CO 0.07 0.07 -0.01 0.54 0.00 0.00 0.00 174.94 175.61 1mnl n ARG 39 N 4.53 0.02 -1.23 2.79 5.12 -1.26 -0.15 116.66 126.47 1mnl n ARG 39 Ca -0.15 0.01 -0.20 0.00 -1.93 0.00 0.00 57.85 55.58 1mnl n ARG 39 Cb 0.44 -0.54 -0.08 0.00 -1.16 0.00 0.00 32.46 31.13 1mnl n ARG 39 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1mnl n PRO 40 N -3.39 2.14 -3.45 5.56 -0.04 -1.11 -4.61 135.00 130.10 1mnl n PRO 40 Ca -0.01 -1.75 -0.38 0.00 -0.04 0.00 0.00 63.50 61.32 1mnl n PRO 40 Cb 0.17 -1.98 -0.09 0.00 -0.04 0.00 0.00 33.50 31.55 1mnl n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mnl s MET 42 N 1.69 1.77 -0.02 0.00 -1.94 0.86 -2.02 119.30 119.65 1mnl s MET 42 Ca 0.14 -1.92 -0.04 0.00 -1.71 0.00 0.00 55.69 52.16 1mnl s MET 42 Cb -0.15 -1.60 0.00 0.00 2.01 0.00 0.00 34.83 35.10 1mnl s MET 42 CO 0.09 0.11 0.10 0.21 -0.01 0.00 0.00 175.02 175.52 1mnl s LYS 43 N -3.64 0.27 0.07 2.03 2.20 0.78 -2.31 119.74 119.14 1mnl s LYS 43 Ca 0.32 -0.13 -0.11 0.00 -0.36 0.00 0.00 55.97 55.70 1mnl s LYS 43 Cb 0.03 0.11 0.01 0.00 -1.51 0.00 0.00 37.83 36.47 1mnl s LYS 43 CO 0.16 -0.05 0.24 0.15 -0.36 0.00 0.00 175.35 175.49 1mnl s LYS 44 N -0.60 0.82 0.01 4.03 1.02 -1.04 -0.45 119.74 123.53 1mnl s LYS 44 Ca -0.07 -0.73 -0.13 0.00 0.02 0.00 0.00 55.97 55.05 1mnl s LYS 44 Cb -0.04 0.35 0.02 0.00 -0.52 0.00 0.00 37.83 37.63 1mnl s LYS 44 CO 0.00 -0.27 0.28 0.99 -0.92 0.00 0.00 175.35 175.44 1mnl s THR 45 N -3.21 0.07 -0.34 2.17 2.01 -0.29 -1.92 115.64 114.13 1mnl s THR 45 Ca -0.00 -0.60 0.08 0.00 0.31 0.00 0.00 61.69 61.47 1mnl s THR 45 Cb 0.02 -0.75 0.45 0.00 0.01 0.00 0.00 72.50 72.23 1mnl s THR 45 CO -0.07 -0.33 1.15 0.00 -0.69 0.00 0.00 174.62 174.67 1mnl n ILE 46 N 0.98 2.31 0.00 1.82 0.13 -1.08 -0.99 119.36 122.52 1mnl n ILE 46 Ca -0.20 -4.32 0.00 0.00 -1.10 0.00 0.00 62.75 57.13 1mnl n ILE 46 Cb 0.57 -0.92 0.00 0.00 -0.84 0.00 0.00 39.64 38.45 1mnl n ILE 46 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1mnl n TYR 47 N -0.59 0.00 0.00 9.51 4.11 -1.10 -3.07 117.16 126.01 1mnl n TYR 47 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.28 1mnl n TYR 47 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.18 1mnl n TYR 47 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 1mnl n GLU 48 N 0.00 1.87 0.00 -3.48 0.28 -1.26 -4.13 120.64 113.92 1mnl n GLU 48 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1mnl n GLU 48 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1mnl n GLU 48 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1mnl n ASN 49 N 0.00 0.00 0.00 -1.84 4.13 -1.26 -2.94 115.26 113.35 1mnl n ASN 49 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1mnl n ASN 49 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1mnl n ASN 49 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1mnl n GLU 50 N -1.10 1.82 -0.38 3.52 2.13 -1.26 -4.98 120.64 120.39 1mnl n GLU 50 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1mnl n GLU 50 Cb 0.00 -0.56 -0.01 0.00 0.27 0.00 0.00 31.44 31.14 1mnl n GLU 50 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1mnl n ARG 51 N -0.53 0.00 0.00 5.31 0.63 -1.26 -5.15 116.66 115.66 1mnl n ARG 51 Ca 0.00 -0.14 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 1mnl n ARG 51 Cb 0.04 0.16 0.00 0.00 0.45 0.00 0.00 32.46 33.11 1mnl n ARG 51 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1mnl n GLU 52 N 0.00 3.40 -3.62 -0.14 1.02 -1.26 -5.11 120.64 114.94 1mnl n GLU 52 Ca -0.04 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.02 1mnl n GLU 52 Cb 0.29 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.65 1mnl n GLU 52 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1mnl s ILE 53 N 2.47 0.00 0.00 -3.67 -1.09 -1.26 -4.27 121.20 113.38 1mnl s ILE 53 Ca 0.00 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 1mnl s ILE 53 Cb 0.00 -1.00 0.00 0.00 -1.58 0.00 0.00 42.46 39.88 1mnl s ILE 53 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 174.94 174.00 1mnl n LYS 54 N 1.34 0.00 -1.92 2.79 5.02 -1.26 -3.71 118.16 120.42 1mnl n LYS 54 Ca -0.10 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.16 1mnl n LYS 54 Cb 0.57 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.59 1mnl n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mnl n GLY 55 N 1.46 1.79 3.09 0.72 0.00 -1.18 0.27 105.19 111.34 1mnl n GLY 55 Ca 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 46.02 44.90 1mnl n GLY 55 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mnl s TYR 56 N -6.59 -1.47 -0.08 1.61 5.04 0.21 -2.64 117.35 113.43 1mnl s TYR 56 Ca 0.05 1.34 0.04 0.00 -2.44 0.00 0.00 57.07 56.06 1mnl s TYR 56 Cb -0.01 0.37 -0.01 0.00 0.35 0.00 0.00 41.96 42.65 1mnl s TYR 56 CO 0.04 -0.90 -0.19 -1.83 -1.34 0.00 0.00 175.55 171.33 1mnl s GLU 57 N 2.77 2.79 0.21 4.97 -1.05 -0.81 -1.84 118.70 125.75 1mnl s GLU 57 Ca 0.17 -0.80 0.04 0.00 -0.15 0.00 0.00 54.97 54.22 1mnl s GLU 57 Cb -0.14 -2.34 -0.05 0.00 -0.44 0.00 0.00 34.13 31.16 1mnl s GLU 57 CO -0.22 0.38 -0.03 1.52 0.95 0.00 0.00 175.26 177.87 1mnl s TYR 58 N -0.13 1.48 -0.08 4.83 1.13 -1.02 -2.49 117.35 121.07 1mnl s TYR 58 Ca -0.03 -0.89 0.00 0.00 -1.41 0.00 0.00 57.07 54.74 1mnl s TYR 58 Cb -0.14 -0.83 0.02 0.00 -1.10 0.00 0.00 41.96 39.91 1mnl s TYR 58 CO 0.04 -0.02 -0.06 -0.65 -2.51 0.00 0.00 175.55 172.35 1mnl s GLN 59 N -3.84 1.15 -0.69 -3.49 -0.21 -0.98 -2.97 119.66 108.64 1mnl s GLN 59 Ca 0.25 -0.15 0.05 0.00 0.02 0.00 0.00 55.36 55.53 1mnl s GLN 59 Cb 0.05 -1.21 0.18 0.00 1.00 0.00 0.00 33.01 33.03 1mnl s GLN 59 CO 0.07 -0.18 0.54 -0.11 -2.12 0.00 0.00 175.29 173.49 1mnl n LEU 60 N 4.58 3.06 -4.62 2.90 7.94 -1.13 -0.10 117.00 129.64 1mnl n LEU 60 Ca -0.16 -5.23 -0.43 0.00 -1.11 0.00 0.00 56.01 49.08 1mnl n LEU 60 Cb 0.50 -0.70 -0.02 0.00 0.53 0.00 0.00 43.42 43.73 1mnl n LEU 60 CO 0.18 1.82 1.26 -0.47 -1.11 0.00 0.00 177.39 179.07 1mnl s TYR 61 N -1.62 2.37 0.00 1.96 5.04 -0.93 -1.93 117.35 122.23 1mnl s TYR 61 Ca 0.28 0.70 0.00 0.00 -2.44 0.00 0.00 57.07 55.61 1mnl s TYR 61 Cb -0.00 -4.07 0.00 0.00 0.35 0.00 0.00 41.96 38.24 1mnl s TYR 61 CO -0.14 -2.22 0.00 1.33 -1.34 0.00 0.00 175.55 173.18 1mnl n VAL 62 N 6.64 0.00 -4.14 3.14 0.24 0.93 -2.76 118.33 122.37 1mnl n VAL 62 Ca 0.17 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.32 1mnl n VAL 62 Cb 0.47 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.70 1mnl n VAL 62 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1mnl s TYR 63 N -4.45 0.50 0.00 6.34 6.14 -0.59 -1.82 117.35 123.47 1mnl s TYR 63 Ca 0.00 -0.15 0.00 0.00 0.64 0.00 0.00 57.07 57.56 1mnl s TYR 63 Cb 0.00 -0.32 0.00 0.00 0.42 0.00 0.00 41.96 42.06 1mnl s TYR 63 CO 0.00 -0.02 0.00 0.00 0.64 0.00 0.00 175.55 176.17 1mnl n ALA 64 N 2.72 0.00 -0.05 3.97 0.00 -0.93 -1.15 120.51 125.06 1mnl n ALA 64 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.23 1mnl n ALA 64 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 1mnl n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mnl n SER 65 N 0.00 3.15 0.00 0.00 2.88 -1.26 -2.93 113.62 115.46 1mnl n SER 65 Ca 0.00 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1mnl n SER 65 Cb 0.00 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 1mnl n SER 65 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1mnl n ASP 66 N -2.76 0.56 -4.22 -3.46 5.75 -1.26 -4.95 116.55 106.21 1mnl n ASP 66 Ca -0.18 -0.93 -0.41 0.00 -0.01 0.00 0.00 54.79 53.25 1mnl n ASP 66 Cb 0.71 0.06 -0.08 0.00 -1.03 0.00 0.00 41.12 40.78 1mnl n ASP 66 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1mnl s LYS 67 N -0.06 2.65 -1.03 0.11 2.36 -1.26 -4.96 119.74 117.55 1mnl s LYS 67 Ca 0.00 -1.94 -0.01 0.00 -2.55 0.00 0.00 55.97 51.47 1mnl s LYS 67 Cb 0.00 -3.99 0.32 0.00 -1.05 0.00 0.00 37.83 33.11 1mnl s LYS 67 CO 0.00 -1.21 1.82 1.28 1.55 0.00 0.00 175.35 178.78 1mnl n LEU 68 N 4.65 7.33 0.00 5.43 4.32 -1.26 -2.19 117.00 135.28 1mnl n LEU 68 Ca -0.04 -5.39 0.00 0.00 -0.02 0.00 0.00 56.01 50.56 1mnl n LEU 68 Cb 0.41 -1.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.05 1mnl n LEU 68 CO 0.42 2.05 0.00 2.22 -1.22 0.00 0.00 177.39 180.86 1mnl n PHE 69 N -0.05 0.00 -4.71 -1.77 1.16 -0.76 -3.82 117.46 107.52 1mnl n PHE 69 Ca 0.47 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.77 1mnl n PHE 69 Cb 0.26 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 37.99 1mnl n PHE 69 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 1mnl s ARG 70 N 0.00 1.54 -0.37 3.97 3.52 -1.04 0.31 118.95 126.88 1mnl s ARG 70 Ca 0.00 -1.05 -0.08 0.00 -0.13 0.00 0.00 55.73 54.46 1mnl s ARG 70 Cb 0.00 -1.72 0.05 0.00 -1.56 0.00 0.00 34.95 31.72 1mnl s ARG 70 CO 0.00 0.44 0.18 0.00 -0.81 0.00 0.00 175.30 175.11 1mnl s ALA 71 N -0.84 3.18 0.47 6.12 0.00 -0.81 -2.46 121.76 127.41 1mnl s ALA 71 Ca 0.10 -1.87 -0.02 0.00 0.00 0.00 0.00 51.96 50.16 1mnl s ALA 71 Cb -0.09 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 1mnl s ALA 71 CO 0.02 -1.45 0.73 0.34 0.00 0.00 0.00 175.76 175.40 1mnl s ASP 72 N 1.66 6.00 -0.29 0.00 2.15 0.32 -2.82 116.67 123.69 1mnl s ASP 72 Ca 0.01 0.59 0.03 0.00 0.43 0.00 0.00 52.55 53.61 1mnl s ASP 72 Cb -0.20 -1.87 0.18 0.00 -0.30 0.00 0.00 42.92 40.72 1mnl s ASP 72 CO 0.04 -0.66 0.49 -0.63 -0.17 0.00 0.00 175.17 174.24 1mnl s ILE 73 N -2.65 -0.80 0.08 4.11 -1.09 -1.16 -1.62 121.20 118.07 1mnl s ILE 73 Ca 0.48 -0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.74 1mnl s ILE 73 Cb -0.10 -0.99 -0.04 0.00 -1.58 0.00 0.00 42.46 39.75 1mnl s ILE 73 CO 0.41 -0.14 0.24 -0.55 -1.23 0.00 0.00 174.94 173.67 1mnl s SER 74 N 2.68 6.38 -0.30 3.58 0.15 -0.25 -2.44 113.70 123.50 1mnl s SER 74 Ca 0.11 0.31 -0.14 0.00 0.70 0.00 0.00 55.95 56.92 1mnl s SER 74 Cb -0.12 -1.98 0.16 0.00 -1.71 0.00 0.00 66.02 62.38 1mnl s SER 74 CO -0.27 0.14 0.96 -1.61 1.20 0.00 0.00 173.24 173.65 1mnl s GLU 75 N -2.61 0.32 0.00 5.44 2.02 -0.76 -2.23 118.70 120.87 1mnl s GLU 75 Ca 0.36 0.80 0.00 0.00 0.02 0.00 0.00 54.97 56.15 1mnl s GLU 75 Cb -0.13 0.48 0.00 0.00 0.10 0.00 0.00 34.13 34.58 1mnl s GLU 75 CO 0.28 -0.11 0.00 -0.25 0.02 0.00 0.00 175.26 175.19 1mnl n ASP 76 N 5.02 0.00 0.01 -0.19 9.92 -1.11 0.65 116.55 130.85 1mnl n ASP 76 Ca -0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 1mnl n ASP 76 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 1mnl n ASP 76 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mnl n TYR 77 N -0.21 -1.84 0.24 1.24 4.19 0.76 -4.01 117.16 117.53 1mnl n TYR 77 Ca 0.00 0.07 -0.13 0.00 3.31 0.00 0.00 57.90 61.15 1mnl n TYR 77 Cb 0.00 0.50 -0.07 0.00 0.49 0.00 0.00 39.34 40.26 1mnl n TYR 77 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 1mnl h LYS 78 N 0.00 -0.64 -0.71 2.98 3.64 -1.54 -3.20 116.57 117.11 1mnl h LYS 78 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1mnl h LYS 78 Cb 0.00 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1mnl h LYS 78 CO 0.00 -0.34 0.00 2.41 -2.27 0.00 0.00 179.45 179.25 1mnl n THR 79 N -5.24 1.09 -1.48 1.00 -1.04 -1.26 -4.90 114.28 102.45 1mnl n THR 79 Ca -0.10 -0.98 -0.17 0.00 -2.04 0.00 0.00 64.05 60.76 1mnl n THR 79 Cb 0.30 0.41 -0.07 0.00 -1.82 0.00 0.00 70.33 69.16 1mnl n THR 79 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1mnl n ARG 80 N 1.51 -1.52 0.00 -2.82 5.12 -1.21 -4.78 116.66 112.96 1mnl n ARG 80 Ca 0.24 1.06 0.00 0.00 -1.93 0.00 0.00 57.85 57.23 1mnl n ARG 80 Cb 0.65 -5.44 0.00 0.00 -1.16 0.00 0.00 32.46 26.51 1mnl n ARG 80 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mnl n GLY 81 N -0.17 0.00 1.23 -0.13 0.00 -1.26 -4.42 105.19 100.44 1mnl n GLY 81 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 1mnl n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mnl n ARG 82 N -0.04 0.18 -3.78 1.61 1.74 -1.26 -4.88 116.66 110.24 1mnl n ARG 82 Ca 0.00 -0.43 -0.13 0.00 -0.77 0.00 0.00 57.85 56.52 1mnl n ARG 82 Cb 0.00 0.60 -0.12 0.00 -1.02 0.00 0.00 32.46 31.92 1mnl n ARG 82 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1mnl s LYS 83 N -2.01 0.24 -0.04 5.56 3.01 -1.26 -2.77 119.74 122.47 1mnl s LYS 83 Ca 0.08 0.37 -0.30 0.00 -1.01 0.00 0.00 55.97 55.10 1mnl s LYS 83 Cb -0.01 0.06 0.11 0.00 -1.01 0.00 0.00 37.83 36.98 1mnl s LYS 83 CO 0.01 -0.07 1.08 -1.17 0.51 0.00 0.00 175.35 175.72 1mnl s LEU 84 N 0.44 -0.20 0.11 3.17 0.20 -0.95 -4.98 118.68 116.48 1mnl s LEU 84 Ca -0.03 -0.10 -0.11 0.00 0.69 0.00 0.00 54.13 54.58 1mnl s LEU 84 Cb -0.04 1.72 0.01 0.00 -0.43 0.00 0.00 46.19 47.45 1mnl s LEU 84 CO -0.02 -0.48 0.28 -1.48 -0.29 0.00 0.00 176.35 174.35 1mnl s LEU 85 N -2.56 1.00 -0.04 -0.68 2.34 -1.26 -1.09 118.68 116.39 1mnl s LEU 85 Ca 0.09 -0.57 -0.16 0.00 0.06 0.00 0.00 54.13 53.56 1mnl s LEU 85 Cb 0.00 1.34 0.03 0.00 -0.56 0.00 0.00 46.19 47.00 1mnl s LEU 85 CO -0.05 -0.80 0.35 0.00 -1.06 0.00 0.00 176.35 174.79 1mnl s ARG 86 N -3.86 0.65 -0.48 1.48 1.04 -0.64 -4.86 118.95 112.28 1mnl s ARG 86 Ca 0.06 -0.01 0.03 0.00 -1.04 0.00 0.00 55.73 54.77 1mnl s ARG 86 Cb 0.04 0.29 0.13 0.00 -2.04 0.00 0.00 34.95 33.37 1mnl s ARG 86 CO -0.10 -0.17 0.25 -0.06 -0.04 0.00 0.00 175.30 175.19 1mnl s PHE 87 N -1.00 2.60 0.00 5.89 0.40 -1.25 0.12 117.98 124.74 1mnl s PHE 87 Ca -0.11 -2.82 0.00 0.00 -0.60 0.00 0.00 56.93 53.41 1mnl s PHE 87 Cb -0.04 -2.37 0.00 0.00 0.51 0.00 0.00 43.02 41.12 1mnl s PHE 87 CO 0.04 -0.76 0.00 0.09 0.70 0.00 0.00 175.22 175.29 1mnl n ASN 88 N 3.30 1.21 -3.34 1.36 3.02 -1.03 -4.91 115.26 114.87 1mnl n ASN 88 Ca 0.07 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.46 1mnl n ASN 88 Cb 0.33 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.59 1mnl n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mnl n GLY 89 N 0.00 -0.57 3.75 7.41 0.00 -1.26 -2.49 105.19 112.03 1mnl n GLY 89 Ca 0.00 0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1mnl n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mnl s PRO 90 N -5.06 4.33 0.00 1.61 0.04 -1.26 -4.44 135.00 130.21 1mnl s PRO 90 Ca 0.13 2.21 0.16 0.00 0.04 0.00 0.00 61.00 63.53 1mnl s PRO 90 Cb -0.02 -3.12 0.93 0.00 0.04 0.00 0.00 34.50 32.33 1mnl s PRO 90 CO 0.72 -0.29 1.34 1.33 0.04 0.00 0.00 177.00 180.14