#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 3.32 0.37 1.61 -6.30 0.63 -4.94 118.70 113.39 1mnl s GLU 2 Ca 0.00 0.13 0.05 0.00 -2.50 0.00 0.00 54.97 52.65 1mnl s GLU 2 Cb 0.00 -2.34 -0.07 0.00 0.00 0.00 0.00 34.13 31.73 1mnl s GLU 2 CO 0.00 -0.39 0.04 1.67 0.02 0.00 0.00 175.26 176.60 1mnl s TRP 3 N -2.84 2.22 0.00 5.30 -2.14 -1.26 -1.43 118.94 118.78 1mnl s TRP 3 Ca 0.50 -0.83 0.00 0.00 2.66 0.00 0.00 56.10 58.43 1mnl s TRP 3 Cb -0.10 -1.52 0.00 0.00 -3.10 0.00 0.00 33.47 28.75 1mnl s TRP 3 CO 0.45 0.21 0.00 -1.91 -2.66 0.00 0.00 176.95 173.04 1mnl n GLU 4 N -0.84 0.00 -2.61 3.25 2.13 0.50 -4.83 120.64 118.23 1mnl n GLU 4 Ca -0.04 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.55 1mnl n GLU 4 Cb 0.67 0.00 0.11 0.00 0.27 0.00 0.00 31.44 32.49 1mnl n GLU 4 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1mnl s ILE 5 N 0.00 2.10 0.00 6.31 -4.36 -1.26 -0.58 121.20 123.41 1mnl s ILE 5 Ca 0.00 -0.62 0.00 0.00 -0.26 0.00 0.00 60.65 59.77 1mnl s ILE 5 Cb 0.00 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.22 1mnl s ILE 5 CO 0.00 0.00 0.00 2.30 0.24 0.00 0.00 174.94 177.48 1mnl n ILE 6 N -2.83 0.00 -2.62 8.37 -0.00 -1.17 -4.81 119.36 116.29 1mnl n ILE 6 Ca 0.16 0.00 -0.07 0.00 -0.00 0.00 0.00 62.75 62.83 1mnl n ILE 6 Cb 0.61 -0.16 0.04 0.00 -0.00 0.00 0.00 39.64 40.13 1mnl n ILE 6 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1mnl n ASP 7 N -0.85 2.45 -3.48 7.28 8.00 -1.26 -4.97 116.55 123.71 1mnl n ASP 7 Ca 0.00 -2.56 -0.19 0.00 0.71 0.00 0.00 54.79 52.75 1mnl n ASP 7 Cb 0.00 -0.45 0.06 0.00 -0.02 0.00 0.00 41.12 40.71 1mnl n ASP 7 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1mnl n ILE 8 N -0.56 -6.53 0.14 0.53 5.41 -1.26 -4.84 119.36 112.24 1mnl n ILE 8 Ca 0.17 -0.81 0.00 0.00 1.00 0.00 0.00 62.75 63.11 1mnl n ILE 8 Cb 0.84 -5.05 0.00 0.00 -0.71 0.00 0.00 39.64 34.71 1mnl n ILE 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1mnl n GLY 9 N -1.34 -1.32 0.00 7.39 0.00 -1.26 -4.92 105.19 103.73 1mnl n GLY 9 Ca -0.21 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.14 0.00 -0.08 1.61 -0.04 -1.26 -3.20 135.00 128.89 1mnl n PRO 10 Ca 0.00 0.16 0.26 0.00 -0.04 0.00 0.00 63.50 63.87 1mnl n PRO 10 Cb 0.00 -0.76 0.68 0.00 -0.04 0.00 0.00 33.50 33.38 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 0.58 0.54 -1.00 -1.97 0.12 116.94 115.20 1mnl h PHE 11 Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1mnl h PHE 11 Cb 0.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 1mnl h PHE 11 CO 0.01 0.00 -0.40 1.79 -1.61 0.00 0.00 178.31 178.11 1mnl h THR 12 N 0.00 0.20 0.00 -1.55 1.35 -1.92 0.90 112.91 111.89 1mnl h THR 12 Ca 0.35 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.19 1mnl h THR 12 Cb 1.78 0.20 -0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1mnl h THR 12 CO -0.00 0.00 -0.08 1.56 -0.25 0.00 0.00 175.52 176.75 1mnl h GLN 13 N -0.94 0.00 0.25 4.72 1.08 -0.78 -2.79 115.11 116.66 1mnl h GLN 13 Ca -0.07 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1mnl h GLN 13 Cb 0.78 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 1mnl h GLN 13 CO 0.04 0.08 -0.12 -0.97 -0.95 0.00 0.00 178.83 176.91 1mnl h ASN 14 N 0.00 -0.29 0.00 1.46 -1.24 0.04 -2.93 115.58 112.62 1mnl h ASN 14 Ca -0.00 -0.21 0.00 0.00 0.71 0.00 0.00 56.30 56.79 1mnl h ASN 14 Cb 0.22 0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.34 1mnl h ASN 14 CO 0.01 0.21 0.00 -0.11 -1.29 0.00 0.00 177.43 176.25 1mnl n LEU 15 N -5.01 0.00 -0.40 0.34 -0.00 0.30 0.56 117.00 112.78 1mnl n LEU 15 Ca -0.07 0.91 0.35 0.00 -0.00 0.00 0.00 56.01 57.20 1mnl n LEU 15 Cb 0.25 -0.41 0.63 0.00 -0.00 0.00 0.00 43.42 43.88 1mnl n LEU 15 CO 0.23 -0.41 1.16 1.23 -0.00 0.00 0.00 177.39 179.59 1mnl h GLY 16 N 0.00 1.76 0.00 -3.96 0.00 -1.57 1.00 103.07 100.30 1mnl h GLY 16 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1mnl h GLY 16 CO 0.00 -0.60 0.00 0.28 0.00 0.00 0.00 176.54 176.22 1mnl n LYS 17 N -4.95 0.00 -0.32 4.80 5.02 0.19 -2.99 118.16 119.91 1mnl n LYS 17 Ca 0.38 0.00 0.36 0.00 -2.02 0.00 0.00 58.31 57.03 1mnl n LYS 17 Cb 1.40 -0.41 0.70 0.00 -0.02 0.00 0.00 35.03 36.71 1mnl n LYS 17 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1mnl h PHE 18 N 0.00 0.00 0.00 2.13 -5.15 0.14 -2.03 116.94 112.03 1mnl h PHE 18 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1mnl h PHE 18 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1mnl h PHE 18 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1mnl n ALA 19 N -2.63 -0.32 -0.24 12.09 0.00 0.35 0.11 120.51 129.87 1mnl n ALA 19 Ca 0.27 0.00 0.30 0.00 0.00 0.00 0.00 53.44 54.01 1mnl n ALA 19 Cb 1.38 0.00 0.52 0.00 0.00 0.00 0.00 19.45 21.36 1mnl n ALA 19 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1mnl h VAL 20 N 0.00 0.05 0.00 0.00 3.04 -1.27 1.82 116.25 119.89 1mnl h VAL 20 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1mnl h VAL 20 Cb 0.00 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.37 1mnl h VAL 20 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 175.89 1mnl n ASP 21 N -3.39 0.00 -0.28 3.17 2.03 -1.01 -2.53 116.55 114.53 1mnl n ASP 21 Ca 0.24 0.24 -0.00 0.00 0.52 0.00 0.00 54.79 55.79 1mnl n ASP 21 Cb 1.48 -0.46 0.19 0.00 -0.72 0.00 0.00 41.12 41.61 1mnl n ASP 21 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1mnl h GLU 22 N 0.00 1.13 0.15 -0.67 4.39 0.13 2.03 114.58 121.74 1mnl h GLU 22 Ca 0.00 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1mnl h GLU 22 Cb 0.00 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.40 1mnl h GLU 22 CO 0.00 0.74 -0.07 1.49 -1.16 0.00 0.00 179.01 180.01 1mnl h GLU 23 N 1.16 -0.20 -0.30 2.33 4.81 0.27 1.49 114.58 124.14 1mnl h GLU 23 Ca 0.32 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 1mnl h GLU 23 Cb -0.12 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1mnl h GLU 23 CO -0.07 0.01 -0.06 -0.97 -0.73 0.00 0.00 179.01 177.20 1mnl h ASN 24 N -0.39 0.58 -0.71 1.04 -0.73 -1.14 1.29 115.58 115.52 1mnl h ASN 24 Ca -0.02 -0.35 0.02 0.00 1.87 0.00 0.00 56.30 57.82 1mnl h ASN 24 Cb 0.31 -0.16 -0.04 0.00 0.27 0.00 0.00 38.32 38.70 1mnl h ASN 24 CO 0.03 0.79 0.46 0.50 -0.37 0.00 0.00 177.43 178.84 1mnl h LYS 25 N 0.35 0.88 0.00 6.67 3.64 0.34 -0.70 116.57 127.76 1mnl h LYS 25 Ca 0.08 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1mnl h LYS 25 Cb 0.53 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1mnl h LYS 25 CO 0.03 0.58 -0.05 0.97 -2.27 0.00 0.00 179.45 178.71 1mnl h ILE 26 N 0.91 0.19 0.00 2.00 -0.00 0.23 -3.45 117.51 117.39 1mnl h ILE 26 Ca 0.27 -0.45 0.00 0.00 -0.00 0.00 0.00 64.86 64.68 1mnl h ILE 26 Cb -0.04 1.37 0.00 0.00 -0.00 0.00 0.00 36.82 38.15 1mnl h ILE 26 CO -0.08 0.05 0.00 0.61 -0.00 0.00 0.00 178.15 178.72 1mnl n GLY 27 N -0.40 1.40 2.30 8.18 0.00 -0.27 -5.06 105.19 111.34 1mnl n GLY 27 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1mnl n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mnl n GLN 28 N -0.03 1.12 -1.16 1.61 1.13 0.43 -4.91 117.38 115.57 1mnl n GLN 28 Ca 0.00 -3.60 -0.19 0.00 -1.94 0.00 0.00 57.00 51.27 1mnl n GLN 28 Cb 0.00 -1.55 0.21 0.00 0.11 0.00 0.00 30.24 29.02 1mnl n GLN 28 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1mnl n TYR 29 N 1.46 2.84 -0.32 1.08 9.36 -1.26 -3.20 117.16 127.13 1mnl n TYR 29 Ca 0.24 -1.68 0.31 0.00 3.32 0.00 0.00 57.90 60.09 1mnl n TYR 29 Cb 0.49 -0.87 0.56 0.00 -0.63 0.00 0.00 39.34 38.89 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 -0.90 -0.71 0.00 2.98 0.00 -1.26 -4.78 105.19 100.52 1mnl n GLY 30 Ca 0.54 0.75 0.00 0.00 0.00 0.00 0.00 46.02 47.31 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 -5.05 0.00 -4.14 1.61 5.12 -1.26 -5.15 116.66 107.79 1mnl n ARG 31 Ca 0.36 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 56.02 1mnl n ARG 31 Cb 1.23 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 32.48 1mnl n ARG 31 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1mnl n LEU 32 N 0.00 0.00 -2.69 0.55 4.32 -1.26 -5.03 117.00 112.89 1mnl n LEU 32 Ca 0.00 -2.56 -0.07 0.00 -0.02 0.00 0.00 56.01 53.36 1mnl n LEU 32 Cb 0.00 0.32 0.10 0.00 -1.62 0.00 0.00 43.42 42.21 1mnl n LEU 32 CO 0.00 -0.37 0.34 0.41 -1.22 0.00 0.00 177.39 176.56 1mnl n THR 33 N -1.00 0.29 0.00 -5.08 -1.04 -1.26 -4.46 114.28 101.72 1mnl n THR 33 Ca -0.16 -1.91 0.00 0.00 -2.04 0.00 0.00 64.05 59.94 1mnl n THR 33 Cb 0.52 0.92 0.00 0.00 -1.82 0.00 0.00 70.33 69.95 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 -0.52 0.00 0.00 -1.42 7.35 -1.26 -3.50 117.46 118.11 1mnl n PHE 34 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1mnl n PHE 34 Cb 0.84 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.67 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 0.00 0.00 -2.13 5.15 -1.26 -4.62 115.26 112.40 1mnl n ASN 35 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1mnl n ASN 35 Cb 0.00 0.30 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 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 -2.35 0.00 -3.89 1.20 4.76 -1.13 -4.92 118.16 111.83 1mnl n LYS 36 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 1mnl n LYS 36 Cb 0.00 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.17 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 -0.36 -0.18 1.01 0.16 -4.94 120.40 116.08 1mnl s VAL 37 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1mnl s VAL 37 Cb 0.00 -2.22 0.13 0.00 0.00 0.00 0.00 36.38 34.29 1mnl s VAL 37 CO 0.00 0.00 0.19 -0.51 0.00 0.00 0.00 175.10 174.78 1mnl s ILE 38 N -3.62 0.63 -0.18 2.22 2.07 -1.26 -1.34 121.20 119.72 1mnl s ILE 38 Ca 0.15 -1.80 -0.11 0.00 -1.41 0.00 0.00 60.65 57.48 1mnl s ILE 38 Cb -0.05 -1.46 -0.07 0.00 0.13 0.00 0.00 42.46 41.01 1mnl s ILE 38 CO 0.09 -0.87 -0.27 0.54 -1.91 0.00 0.00 174.94 172.52 1mnl n ARG 39 N 4.18 0.43 -1.25 3.50 1.74 -1.26 -4.19 116.66 119.81 1mnl n ARG 39 Ca 0.06 0.18 -0.20 0.00 -0.77 0.00 0.00 57.85 57.12 1mnl n ARG 39 Cb 0.38 -1.22 -0.11 0.00 -1.02 0.00 0.00 32.46 30.48 1mnl n ARG 39 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1mnl n PRO 40 N -4.02 2.33 -3.68 5.56 -0.04 -1.18 -4.82 135.00 129.15 1mnl n PRO 40 Ca -0.31 -1.68 -0.38 0.00 -0.04 0.00 0.00 63.50 61.09 1mnl n PRO 40 Cb 0.66 -2.12 -0.12 0.00 -0.04 0.00 0.00 33.50 31.89 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 1.65 1.92 -0.16 0.00 -1.94 0.21 -3.05 119.30 117.93 1mnl s MET 42 Ca 0.06 -2.16 -0.16 0.00 -1.71 0.00 0.00 55.69 51.72 1mnl s MET 42 Cb -0.16 -0.94 0.04 0.00 2.01 0.00 0.00 34.83 35.78 1mnl s MET 42 CO 0.06 -0.35 0.46 0.21 -0.01 0.00 0.00 175.02 175.38 1mnl s LYS 43 N -3.79 0.55 -0.05 2.03 2.36 0.25 -1.33 119.74 119.76 1mnl s LYS 43 Ca 0.24 0.59 -0.01 0.00 -2.55 0.00 0.00 55.97 54.23 1mnl s LYS 43 Cb 0.04 0.27 0.03 0.00 -1.05 0.00 0.00 37.83 37.12 1mnl s LYS 43 CO 0.12 -0.07 0.03 0.15 1.55 0.00 0.00 175.35 177.13 1mnl s LYS 44 N 0.14 0.25 0.16 4.03 1.02 -0.27 0.19 119.74 125.25 1mnl s LYS 44 Ca -0.01 0.22 0.06 0.00 0.02 0.00 0.00 55.97 56.26 1mnl s LYS 44 Cb -0.03 -0.67 -0.04 0.00 -0.52 0.00 0.00 37.83 36.57 1mnl s LYS 44 CO 0.01 -0.28 0.06 0.99 -0.92 0.00 0.00 175.35 175.20 1mnl s THR 45 N 1.86 4.08 -0.34 2.17 2.01 -0.52 -2.38 115.64 122.53 1mnl s THR 45 Ca 0.02 -1.22 0.02 0.00 0.31 0.00 0.00 61.69 60.82 1mnl s THR 45 Cb -0.12 -3.05 0.09 0.00 0.01 0.00 0.00 72.50 69.43 1mnl s THR 45 CO -0.04 -0.08 0.05 -0.51 -0.69 0.00 0.00 174.62 173.35 1mnl s ILE 46 N -1.68 2.45 0.22 1.82 2.07 -0.58 -0.27 121.20 125.23 1mnl s ILE 46 Ca 0.29 -2.14 0.02 0.00 -1.41 0.00 0.00 60.65 57.40 1mnl s ILE 46 Cb -0.10 -2.71 0.02 0.00 0.13 0.00 0.00 42.46 39.80 1mnl s ILE 46 CO 0.21 -0.50 0.16 0.00 -1.91 0.00 0.00 174.94 172.90 1mnl n TYR 47 N 4.35 -1.08 0.00 3.50 0.18 -1.26 0.79 117.16 123.64 1mnl n TYR 47 Ca -0.01 -0.94 0.00 0.00 1.88 0.00 0.00 57.90 58.83 1mnl n TYR 47 Cb 0.42 -0.18 0.00 0.00 -0.38 0.00 0.00 39.34 39.20 1mnl n TYR 47 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 1mnl n GLU 48 N -1.01 3.35 0.00 -3.48 0.00 -1.26 -4.42 120.64 113.83 1mnl n GLU 48 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1mnl n GLU 48 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.69 1mnl n GLU 48 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1mnl n ASN 49 N 0.00 0.00 0.00 -1.84 5.15 -1.26 -4.95 115.26 112.36 1mnl n ASN 49 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1mnl n ASN 49 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1mnl n ASN 49 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1mnl n GLU 50 N -1.56 0.00 0.00 1.20 0.00 -1.26 -5.01 120.64 114.01 1mnl n GLU 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1mnl n GLU 50 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1mnl n GLU 50 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1mnl n ARG 51 N 0.00 0.00 0.00 5.31 0.63 -1.26 -5.16 116.66 116.18 1mnl n ARG 51 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1mnl n ARG 51 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1mnl n ARG 51 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1mnl n GLU 52 N -0.26 2.18 -3.64 -0.14 0.28 -1.26 -5.13 120.64 112.66 1mnl n GLU 52 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 1mnl n GLU 52 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1mnl n GLU 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1mnl s ILE 53 N 1.24 -0.41 0.00 3.84 1.01 -1.26 -4.26 121.20 121.36 1mnl s ILE 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1mnl s ILE 53 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.47 1mnl s ILE 53 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 174.94 175.23 1mnl n LYS 54 N 4.78 0.00 -4.00 2.79 5.02 -1.25 0.76 118.16 126.27 1mnl n LYS 54 Ca -0.17 0.06 0.04 0.00 -2.02 0.00 0.00 58.31 56.22 1mnl n LYS 54 Cb 0.55 -0.35 0.01 0.00 -0.02 0.00 0.00 35.03 35.22 1mnl n LYS 54 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1mnl s GLY 55 N -1.39 -0.19 -0.09 0.72 0.00 0.24 0.22 107.32 106.82 1mnl s GLY 55 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 44.72 44.86 1mnl s GLY 55 CO 0.00 6.10 -0.02 -0.19 0.00 0.00 0.00 173.10 178.99 1mnl s TYR 56 N -2.02 0.99 0.28 1.90 1.51 -0.84 -1.52 117.35 117.65 1mnl s TYR 56 Ca 0.30 -0.42 0.08 0.00 -1.01 0.00 0.00 57.07 56.02 1mnl s TYR 56 Cb 0.00 -0.98 -0.06 0.00 -0.11 0.00 0.00 41.96 40.82 1mnl s TYR 56 CO -0.02 -0.41 -0.09 -1.21 -1.11 0.00 0.00 175.55 172.71 1mnl s GLU 57 N 1.87 1.58 0.22 -0.62 2.02 -1.00 0.30 118.70 123.07 1mnl s GLU 57 Ca 0.05 -1.78 -0.19 0.00 0.02 0.00 0.00 54.97 53.06 1mnl s GLU 57 Cb -0.13 -1.30 0.03 0.00 0.10 0.00 0.00 34.13 32.83 1mnl s GLU 57 CO -0.06 0.10 0.60 1.52 0.02 0.00 0.00 175.26 177.43 1mnl s TYR 58 N -2.89 -0.18 -0.15 1.61 1.13 -0.28 -1.12 117.35 115.47 1mnl s TYR 58 Ca 0.29 -0.17 0.00 0.00 -1.41 0.00 0.00 57.07 55.78 1mnl s TYR 58 Cb 0.02 0.51 0.02 0.00 -1.10 0.00 0.00 41.96 41.41 1mnl s TYR 58 CO 0.12 -1.01 -0.14 1.14 -2.51 0.00 0.00 175.55 173.15 1mnl s GLN 59 N -3.88 2.31 -0.75 -3.49 -2.07 -0.44 -2.91 119.66 108.42 1mnl s GLN 59 Ca 0.09 -0.56 0.03 0.00 -1.82 0.00 0.00 55.36 53.10 1mnl s GLN 59 Cb -0.03 -2.10 0.28 0.00 -1.09 0.00 0.00 33.01 30.08 1mnl s GLN 59 CO -0.01 -0.22 1.01 -0.11 -1.32 0.00 0.00 175.29 174.64 1mnl n LEU 60 N 4.73 4.70 -4.59 2.60 7.94 -1.06 0.67 117.00 131.98 1mnl n LEU 60 Ca -0.17 -5.44 -0.42 0.00 -1.11 0.00 0.00 56.01 48.87 1mnl n LEU 60 Cb 0.50 -0.81 -0.03 0.00 0.53 0.00 0.00 43.42 43.61 1mnl n LEU 60 CO 0.22 2.03 1.52 -0.47 -1.11 0.00 0.00 177.39 179.57 1mnl s TYR 61 N -2.84 1.84 0.00 1.96 6.14 -0.73 -1.48 117.35 122.24 1mnl s TYR 61 Ca 0.39 0.65 0.00 0.00 0.64 0.00 0.00 57.07 58.76 1mnl s TYR 61 Cb 0.15 -4.14 0.00 0.00 0.42 0.00 0.00 41.96 38.39 1mnl s TYR 61 CO -0.01 -2.78 0.00 1.33 0.64 0.00 0.00 175.55 174.72 1mnl n VAL 62 N 7.36 0.00 -3.72 3.14 0.24 0.57 -3.09 118.33 122.84 1mnl n VAL 62 Ca 0.22 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.40 1mnl n VAL 62 Cb 0.48 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.72 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 -2.32 -0.43 0.00 6.34 5.04 -0.45 -2.11 117.35 123.42 1mnl s TYR 63 Ca 0.00 0.97 0.00 0.00 -2.44 0.00 0.00 57.07 55.60 1mnl s TYR 63 Cb 0.00 0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.44 1mnl s TYR 63 CO 0.00 -0.27 0.00 0.00 -1.34 0.00 0.00 175.55 173.94 1mnl n ALA 64 N 4.12 0.00 -0.03 3.97 0.00 -1.15 0.37 120.51 127.80 1mnl n ALA 64 Ca -0.24 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.08 1mnl n ALA 64 Cb 0.54 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.85 1mnl n ALA 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1mnl n SER 65 N 0.00 1.14 -0.21 0.00 3.41 -1.26 -2.81 113.62 113.88 1mnl n SER 65 Ca 0.00 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1mnl n SER 65 Cb 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1mnl n SER 65 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1mnl n ASP 66 N -3.13 0.00 -4.09 4.04 -0.08 -1.26 -4.98 116.55 107.05 1mnl n ASP 66 Ca -0.23 -1.31 -0.38 0.00 -1.51 0.00 0.00 54.79 51.36 1mnl n ASP 66 Cb 1.06 -0.06 -0.04 0.00 2.34 0.00 0.00 41.12 44.41 1mnl n ASP 66 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1mnl n LYS 67 N 0.00 3.04 -2.30 -0.67 4.81 -1.26 -4.95 118.16 116.83 1mnl n LYS 67 Ca 0.00 -4.50 -0.42 0.00 -0.87 0.00 0.00 58.31 52.52 1mnl n LYS 67 Cb 0.56 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.18 1mnl n LYS 67 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1mnl n LEU 68 N 2.13 6.87 0.00 3.14 4.77 -1.26 -2.91 117.00 129.74 1mnl n LEU 68 Ca 0.23 -4.71 0.00 0.00 -0.03 0.00 0.00 56.01 51.51 1mnl n LEU 68 Cb 0.37 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1mnl n LEU 68 CO 0.43 1.50 0.00 2.22 -1.33 0.00 0.00 177.39 180.21 1mnl n PHE 69 N 3.43 0.00 -3.94 -1.77 1.16 -0.90 -4.27 117.46 111.17 1mnl n PHE 69 Ca 0.43 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.80 1mnl n PHE 69 Cb 0.34 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.04 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 0.66 -0.61 3.97 3.52 0.18 0.21 118.95 126.88 1mnl s ARG 70 Ca 0.00 0.02 -0.26 0.00 -0.13 0.00 0.00 55.73 55.36 1mnl s ARG 70 Cb 0.00 -0.86 0.04 0.00 -1.56 0.00 0.00 34.95 32.56 1mnl s ARG 70 CO 0.00 -0.20 1.12 0.00 -0.81 0.00 0.00 175.30 175.42 1mnl s ALA 71 N 1.44 3.00 0.39 6.12 0.00 -0.55 -2.46 121.76 129.70 1mnl s ALA 71 Ca -0.03 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.74 1mnl s ALA 71 Cb -0.13 -3.98 -0.05 0.00 0.00 0.00 0.00 23.12 18.96 1mnl s ALA 71 CO -0.03 -2.72 0.68 0.34 0.00 0.00 0.00 175.76 174.03 1mnl s ASP 72 N 3.15 6.39 -0.29 0.00 2.15 -0.31 -2.56 116.67 125.19 1mnl s ASP 72 Ca 0.36 0.85 -0.08 0.00 0.43 0.00 0.00 52.55 54.12 1mnl s ASP 72 Cb -0.10 -2.21 0.14 0.00 -0.30 0.00 0.00 42.92 40.45 1mnl s ASP 72 CO 0.20 -0.38 0.61 -0.51 -0.17 0.00 0.00 175.17 174.92 1mnl s ILE 73 N -2.40 -0.96 0.04 4.11 -1.16 -1.15 0.43 121.20 120.12 1mnl s ILE 73 Ca 0.46 0.01 0.07 0.00 -0.51 0.00 0.00 60.65 60.69 1mnl s ILE 73 Cb -0.10 -0.97 -0.03 0.00 0.61 0.00 0.00 42.46 41.97 1mnl s ILE 73 CO 0.36 0.00 -0.19 -0.55 -2.81 0.00 0.00 174.94 171.75 1mnl s SER 74 N 2.86 3.72 0.17 4.50 0.15 0.38 -1.12 113.70 124.35 1mnl s SER 74 Ca -0.00 -0.45 0.06 0.00 0.70 0.00 0.00 55.95 56.26 1mnl s SER 74 Cb -0.13 -0.57 -0.05 0.00 -1.71 0.00 0.00 66.02 63.57 1mnl s SER 74 CO -0.19 0.26 -0.12 -1.61 1.20 0.00 0.00 173.24 172.78 1mnl s GLU 75 N -1.41 1.17 0.00 5.44 2.02 0.15 -2.01 118.70 124.06 1mnl s GLU 75 Ca 0.14 -1.50 0.00 0.00 0.02 0.00 0.00 54.97 53.63 1mnl s GLU 75 Cb -0.10 -0.84 0.00 0.00 0.10 0.00 0.00 34.13 33.29 1mnl s GLU 75 CO 0.05 0.12 0.00 -0.25 0.02 0.00 0.00 175.26 175.20 1mnl n ASP 76 N -0.25 1.18 0.00 -0.19 9.92 -1.10 -1.99 116.55 124.11 1mnl n ASP 76 Ca -0.09 -0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.06 1mnl n ASP 76 Cb 0.60 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 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 0.00 0.00 -0.07 1.24 4.19 0.60 -3.83 117.16 119.30 1mnl n TYR 77 Ca 0.00 0.00 -0.20 0.00 3.31 0.00 0.00 57.90 61.01 1mnl n TYR 77 Cb 0.00 0.00 -0.12 0.00 0.49 0.00 0.00 39.34 39.71 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 0.07 -0.05 2.98 3.11 0.11 -3.34 116.57 119.44 1mnl h LYS 78 Ca 0.00 -0.12 -0.02 0.00 -2.81 0.00 0.00 60.65 57.70 1mnl h LYS 78 Cb 0.00 0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.27 1mnl h LYS 78 CO 0.00 1.06 -0.04 1.79 -2.81 0.00 0.00 179.45 179.44 1mnl h THR 79 N -0.78 1.36 0.00 1.00 1.35 -1.82 -3.46 112.91 110.55 1mnl h THR 79 Ca -0.28 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 1mnl h THR 79 Cb 1.40 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 1mnl h THR 79 CO -0.10 0.31 0.00 -2.11 -0.25 0.00 0.00 175.52 173.37 1mnl n ARG 80 N -4.76 0.00 -0.62 4.72 0.00 -1.26 -5.10 116.66 109.64 1mnl n ARG 80 Ca -0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.48 1mnl n ARG 80 Cb 0.27 0.00 -0.06 0.00 -0.00 0.00 0.00 32.46 32.68 1mnl n ARG 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1mnl n GLY 81 N 0.00 -0.08 3.76 2.89 0.00 -1.25 -4.09 105.19 106.43 1mnl n GLY 81 Ca 0.00 0.56 -0.09 0.00 0.00 0.00 0.00 46.02 46.49 1mnl n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mnl s ARG 82 N 3.00 2.02 0.09 1.61 0.52 -1.26 -4.78 118.95 120.14 1mnl s ARG 82 Ca 0.60 -1.36 0.05 0.00 -0.52 0.00 0.00 55.73 54.50 1mnl s ARG 82 Cb -0.75 0.58 -0.03 0.00 0.52 0.00 0.00 34.95 35.28 1mnl s ARG 82 CO 0.33 -0.92 -0.14 0.15 0.02 0.00 0.00 175.30 174.74 1mnl s LYS 83 N -2.95 0.88 -0.29 3.54 1.02 -1.26 -2.70 119.74 117.97 1mnl s LYS 83 Ca 0.17 -1.05 -0.16 0.00 0.02 0.00 0.00 55.97 54.95 1mnl s LYS 83 Cb -0.04 -0.82 0.16 0.00 -0.52 0.00 0.00 37.83 36.61 1mnl s LYS 83 CO 0.11 0.17 1.04 -1.17 -0.92 0.00 0.00 175.35 174.58 1mnl s LEU 84 N -2.00 -0.43 0.33 3.17 2.96 -0.85 -4.94 118.68 116.91 1mnl s LEU 84 Ca 0.02 0.66 0.03 0.00 -0.22 0.00 0.00 54.13 54.62 1mnl s LEU 84 Cb -0.08 1.60 -0.05 0.00 0.50 0.00 0.00 46.19 48.16 1mnl s LEU 84 CO 0.02 -0.10 0.09 -1.48 -1.32 0.00 0.00 176.35 173.56 1mnl s LEU 85 N 1.48 1.99 0.00 -0.68 2.34 -1.25 0.14 118.68 122.69 1mnl s LEU 85 Ca -0.08 -1.45 0.01 0.00 0.06 0.00 0.00 54.13 52.67 1mnl s LEU 85 Cb -0.04 -0.20 -0.00 0.00 -0.56 0.00 0.00 46.19 45.39 1mnl s LEU 85 CO -0.14 -0.72 0.41 0.54 -1.06 0.00 0.00 176.35 175.37 1mnl n ARG 86 N -0.68 0.59 -2.89 1.48 1.74 0.17 -4.85 116.66 112.22 1mnl n ARG 86 Ca -0.02 -2.74 -0.13 0.00 -0.77 0.00 0.00 57.85 54.19 1mnl n ARG 86 Cb 0.66 2.53 0.02 0.00 -1.02 0.00 0.00 32.46 34.65 1mnl n ARG 86 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1mnl n PHE 87 N -0.55 -2.26 -2.22 -1.55 3.72 -1.24 -1.17 117.46 112.20 1mnl n PHE 87 Ca 0.02 -2.43 0.00 0.00 -0.05 0.00 0.00 57.45 55.00 1mnl n PHE 87 Cb 0.55 0.95 0.00 0.00 -0.94 0.00 0.00 39.48 40.04 1mnl n PHE 87 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1mnl n ASN 88 N 1.27 0.00 -2.31 4.37 4.13 -1.03 -4.73 115.26 116.96 1mnl n ASN 88 Ca 0.13 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.29 1mnl n ASN 88 Cb 0.62 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.91 1mnl n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mnl n GLY 89 N 0.00 0.02 1.34 7.41 0.00 -1.26 -0.65 105.19 112.05 1mnl n GLY 89 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1mnl n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mnl n PRO 90 N -2.74 -1.94 0.00 1.61 -0.04 -1.26 -4.20 135.00 126.42 1mnl n PRO 90 Ca -0.14 -0.67 0.16 0.00 -0.04 0.00 0.00 63.50 62.81 1mnl n PRO 90 Cb 0.59 -0.64 0.88 0.00 -0.04 0.00 0.00 33.50 34.29 1mnl n PRO 90 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79