#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mnl n GLU 2 N 0.00 0.00 -4.51 1.61 1.02 0.53 -4.54 120.64 114.75 1mnl n GLU 2 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1mnl n GLU 2 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 1mnl n GLU 2 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 1mnl s TRP 3 N 0.00 2.54 0.00 -0.32 1.48 -1.26 0.21 118.94 121.59 1mnl s TRP 3 Ca 0.00 -0.65 0.00 0.00 -1.06 0.00 0.00 56.10 54.39 1mnl s TRP 3 Cb 0.00 -1.82 0.00 0.00 -1.16 0.00 0.00 33.47 30.49 1mnl s TRP 3 CO 0.00 0.39 0.00 -1.91 -4.06 0.00 0.00 176.95 171.37 1mnl n GLU 4 N -1.03 0.00 -1.44 3.25 2.13 0.29 -4.85 120.64 118.98 1mnl n GLU 4 Ca -0.04 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.59 1mnl n GLU 4 Cb 0.66 0.00 0.13 0.00 0.27 0.00 0.00 31.44 32.50 1mnl n GLU 4 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1mnl n ILE 5 N 0.00 0.00 -3.32 6.31 -5.35 -1.26 0.88 119.36 116.61 1mnl n ILE 5 Ca 0.00 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 1mnl n ILE 5 Cb 0.00 -1.53 0.00 0.00 -1.74 0.00 0.00 39.64 36.37 1mnl n ILE 5 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 1mnl n ILE 6 N -3.06 0.00 -2.63 7.28 -0.00 -1.13 -4.74 119.36 115.08 1mnl n ILE 6 Ca 0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.74 1mnl n ILE 6 Cb 0.40 -0.18 0.03 0.00 -0.00 0.00 0.00 39.64 39.88 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 -0.69 1.99 -4.44 7.28 8.00 -1.26 -4.96 116.55 122.47 1mnl n ASP 7 Ca 0.00 -2.88 -0.39 0.00 0.71 0.00 0.00 54.79 52.23 1mnl n ASP 7 Cb 0.00 -0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 40.50 1mnl n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mnl n ILE 8 N -0.13 -0.28 0.03 0.53 3.06 -1.26 -4.61 119.36 116.70 1mnl n ILE 8 Ca 0.14 -0.14 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1mnl n ILE 8 Cb 0.79 -0.63 0.00 0.00 0.54 0.00 0.00 39.64 40.34 1mnl n ILE 8 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1mnl n GLY 9 N -1.48 -0.67 0.00 4.50 0.00 -1.26 -4.92 105.19 101.36 1mnl n GLY 9 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.66 0.00 -0.66 1.61 -0.04 -1.26 -3.26 135.00 128.73 1mnl n PRO 10 Ca 0.00 0.00 0.50 0.00 -0.04 0.00 0.00 63.50 63.96 1mnl n PRO 10 Cb 0.00 -0.45 0.79 0.00 -0.04 0.00 0.00 33.50 33.79 1mnl n PRO 10 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1mnl n PHE 11 N -0.30 0.15 0.23 0.54 3.72 -1.26 0.60 117.46 121.14 1mnl n PHE 11 Ca 0.00 0.15 -0.16 0.00 -0.05 0.00 0.00 57.45 57.39 1mnl n PHE 11 Cb 0.00 -0.63 -0.08 0.00 -0.94 0.00 0.00 39.48 37.83 1mnl n PHE 11 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1mnl h THR 12 N 0.00 0.25 0.00 4.37 1.35 -1.92 0.41 112.91 117.37 1mnl h THR 12 Ca 0.92 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.78 1mnl h THR 12 Cb 3.56 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 1mnl h THR 12 CO -0.11 0.00 0.12 0.06 -0.25 0.00 0.00 175.52 175.34 1mnl h GLN 13 N -0.75 0.00 0.01 4.72 -0.00 0.18 -2.55 115.11 116.72 1mnl h GLN 13 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1mnl h GLN 13 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.16 1mnl h GLN 13 CO -0.07 0.00 -0.00 -0.91 -0.00 0.00 0.00 178.83 177.85 1mnl h ASN 14 N 0.00 -0.01 -1.79 0.06 4.21 -0.03 -3.10 115.58 114.92 1mnl h ASN 14 Ca 0.00 0.00 0.52 0.00 1.21 0.00 0.00 56.30 58.03 1mnl h ASN 14 Cb 0.24 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.36 1mnl h ASN 14 CO 0.00 0.46 1.27 0.17 -1.29 0.00 0.00 177.43 178.05 1mnl h LEU 15 N -0.95 0.03 -0.02 1.61 8.10 -0.32 1.05 115.31 124.82 1mnl h LEU 15 Ca -0.00 0.02 -0.02 0.00 0.11 0.00 0.00 57.88 57.99 1mnl h LEU 15 Cb 0.01 0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.24 1mnl h LEU 15 CO 0.00 -0.02 -0.05 1.23 -4.11 0.00 0.00 178.44 175.49 1mnl h GLY 16 N 0.01 0.07 0.03 0.17 0.00 -1.60 -2.66 103.07 99.08 1mnl h GLY 16 Ca 0.87 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 48.11 1mnl h GLY 16 CO -0.06 0.08 -0.01 1.70 0.00 0.00 0.00 176.54 178.25 1mnl h LYS 17 N -0.53 -0.04 -0.71 4.80 1.63 0.11 -2.98 116.57 118.85 1mnl h LYS 17 Ca -0.00 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.86 1mnl h LYS 17 Cb 0.67 0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 32.22 1mnl h LYS 17 CO 0.01 -0.02 -0.42 1.19 -3.45 0.00 0.00 179.45 176.76 1mnl n PHE 18 N -2.20 -0.31 0.00 1.91 3.01 0.39 -1.70 117.46 118.56 1mnl n PHE 18 Ca -0.00 0.89 0.00 0.00 1.01 0.00 0.00 57.45 59.35 1mnl n PHE 18 Cb 0.01 -0.56 0.00 0.00 -0.01 0.00 0.00 39.48 38.93 1mnl n PHE 18 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mnl n ALA 19 N -3.18 -0.06 -0.35 4.37 0.00 -1.00 0.11 120.51 120.39 1mnl n ALA 19 Ca 0.01 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.79 1mnl n ALA 19 Cb 0.19 0.37 0.52 0.00 0.00 0.00 0.00 19.45 20.53 1mnl n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mnl n VAL 20 N -2.37 0.00 0.00 0.00 0.31 -0.83 0.26 118.33 115.69 1mnl n VAL 20 Ca 0.00 1.24 0.00 0.00 -0.01 0.00 0.00 64.34 65.57 1mnl n VAL 20 Cb 0.00 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 30.76 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 -3.33 0.00 0.22 4.52 8.00 0.27 -2.71 116.55 123.52 1mnl n ASP 21 Ca 0.28 0.11 0.15 0.00 0.71 0.00 0.00 54.79 56.05 1mnl n ASP 21 Cb 1.58 -0.46 0.80 0.00 -0.02 0.00 0.00 41.12 43.01 1mnl n ASP 21 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1mnl h GLU 22 N 0.00 0.00 0.26 -1.24 5.08 0.12 1.53 114.58 120.33 1mnl h GLU 22 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1mnl h GLU 22 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1mnl h GLU 22 CO 0.00 0.00 -0.12 1.49 -1.00 0.00 0.00 179.01 179.38 1mnl h GLU 23 N 0.00 -0.33 -0.61 2.33 4.81 0.34 0.46 114.58 121.58 1mnl h GLU 23 Ca 0.07 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1mnl h GLU 23 Cb 0.33 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 1mnl h GLU 23 CO -0.00 -0.14 0.32 -0.91 -0.73 0.00 0.00 179.01 177.55 1mnl h ASN 24 N -1.06 0.47 0.01 1.04 -0.26 -1.01 0.21 115.58 114.98 1mnl h ASN 24 Ca -0.04 0.03 0.02 0.00 -0.56 0.00 0.00 56.30 55.76 1mnl h ASN 24 Cb 0.34 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.51 1mnl h ASN 24 CO 0.06 0.31 -0.17 0.50 -1.06 0.00 0.00 177.43 177.06 1mnl h LYS 25 N 0.61 -0.28 0.00 0.81 1.63 0.21 0.10 116.57 119.65 1mnl h LYS 25 Ca 0.27 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1mnl h LYS 25 Cb 0.17 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1mnl h LYS 25 CO -0.18 -0.19 0.00 1.51 -3.45 0.00 0.00 179.45 177.14 1mnl n ILE 26 N -5.31 1.23 0.00 2.00 0.13 0.16 -4.77 119.36 112.80 1mnl n ILE 26 Ca -0.05 0.49 0.00 0.00 -1.10 0.00 0.00 62.75 62.09 1mnl n ILE 26 Cb 0.22 -1.44 0.00 0.00 -0.84 0.00 0.00 39.64 37.58 1mnl n ILE 26 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1mnl n GLY 27 N -0.87 0.58 2.76 4.50 0.00 0.35 -5.05 105.19 107.45 1mnl n GLY 27 Ca 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 45.20 1mnl n GLY 27 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mnl s GLN 28 N -0.68 1.06 -0.37 1.61 -0.44 0.49 -4.89 119.66 116.44 1mnl s GLN 28 Ca 0.00 -1.09 0.07 0.00 -2.50 0.00 0.00 55.36 51.84 1mnl s GLN 28 Cb 0.00 -0.11 0.64 0.00 -1.64 0.00 0.00 33.01 31.91 1mnl s GLN 28 CO 0.00 -1.33 1.76 2.48 0.50 0.00 0.00 175.29 178.70 1mnl n TYR 29 N 2.98 2.35 -0.33 1.67 0.18 -1.26 -2.35 117.16 120.40 1mnl n TYR 29 Ca 0.18 -1.59 -0.01 0.00 1.88 0.00 0.00 57.90 58.36 1mnl n TYR 29 Cb 0.56 -0.75 0.05 0.00 -0.38 0.00 0.00 39.34 38.82 1mnl n TYR 29 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1mnl h GLY 30 N 1.44 0.13 0.00 -7.48 0.00 -1.97 -3.46 103.07 91.74 1mnl h GLY 30 Ca 0.42 0.47 0.00 0.00 0.00 0.00 0.00 47.33 48.22 1mnl h GLY 30 CO 0.81 -0.23 0.00 0.54 0.00 0.00 0.00 176.54 177.66 1mnl n ARG 31 N -5.48 0.00 -4.24 4.80 1.74 -1.26 -5.15 116.66 107.07 1mnl n ARG 31 Ca 0.10 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.04 1mnl n ARG 31 Cb 0.40 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.74 1mnl n ARG 31 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1mnl s LEU 32 N 0.00 2.06 -0.39 0.55 2.34 -1.26 -5.00 118.68 116.98 1mnl s LEU 32 Ca 0.00 -1.19 0.12 0.00 0.06 0.00 0.00 54.13 53.13 1mnl s LEU 32 Cb 0.00 -0.02 0.40 0.00 -0.56 0.00 0.00 46.19 46.00 1mnl s LEU 32 CO 0.00 -0.59 0.88 0.35 -1.06 0.00 0.00 176.35 175.93 1mnl n THR 33 N -0.24 0.96 -2.67 5.48 -2.24 -1.26 -4.60 114.28 109.70 1mnl n THR 33 Ca -0.06 -4.21 -0.04 0.00 -2.27 0.00 0.00 64.05 57.47 1mnl n THR 33 Cb 0.63 -0.19 0.11 0.00 -2.10 0.00 0.00 70.33 68.79 1mnl n THR 33 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1mnl n PHE 34 N 0.00 -0.81 -0.08 4.78 -1.74 -1.26 -4.14 117.46 114.20 1mnl n PHE 34 Ca 0.22 -0.95 -0.11 0.00 -0.56 0.00 0.00 57.45 56.04 1mnl n PHE 34 Cb 0.68 1.25 -0.05 0.00 1.52 0.00 0.00 39.48 42.88 1mnl n PHE 34 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1mnl n ASN 35 N 0.49 1.83 0.00 5.98 5.15 -1.25 -4.88 115.26 122.57 1mnl n ASN 35 Ca -0.04 0.55 0.00 0.00 -0.60 0.00 0.00 54.58 54.49 1mnl n ASN 35 Cb 0.75 -0.91 0.00 0.00 -0.53 0.00 0.00 39.78 39.09 1mnl n ASN 35 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1mnl n LYS 36 N -4.54 0.00 -3.84 1.20 3.00 -1.14 -4.93 118.16 107.91 1mnl n LYS 36 Ca -0.17 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.06 1mnl n LYS 36 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.46 1mnl n LYS 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1mnl s VAL 37 N 0.00 0.00 -0.19 3.15 1.01 -0.56 -4.94 120.40 118.87 1mnl s VAL 37 Ca 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1mnl s VAL 37 Cb 0.00 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 34.06 1mnl s VAL 37 CO 0.00 0.00 -0.18 -0.51 0.00 0.00 0.00 175.10 174.41 1mnl s ILE 38 N -3.28 2.02 0.09 2.22 -1.16 -1.26 -1.44 121.20 118.39 1mnl s ILE 38 Ca 0.13 -1.04 0.00 0.00 -0.51 0.00 0.00 60.65 59.23 1mnl s ILE 38 Cb -0.06 -1.90 0.00 0.00 0.61 0.00 0.00 42.46 41.12 1mnl s ILE 38 CO 0.09 0.42 0.00 0.54 -2.81 0.00 0.00 174.94 173.18 1mnl n ARG 39 N 4.60 0.00 -1.28 3.50 1.74 -1.26 -4.43 116.66 119.53 1mnl n ARG 39 Ca -0.19 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.68 1mnl n ARG 39 Cb 0.48 -0.41 -0.08 0.00 -1.02 0.00 0.00 32.46 31.43 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 -3.32 2.20 -3.27 5.56 -0.04 -1.16 -4.88 135.00 130.09 1mnl n PRO 40 Ca 0.00 -1.84 -0.38 0.00 -0.04 0.00 0.00 63.50 61.23 1mnl n PRO 40 Cb 0.13 -2.03 -0.06 0.00 -0.04 0.00 0.00 33.50 31.50 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 0.85 1.62 -0.15 0.00 -1.94 0.57 -2.83 119.30 117.42 1mnl s MET 42 Ca 0.27 -1.79 -0.04 0.00 -1.71 0.00 0.00 55.69 52.41 1mnl s MET 42 Cb -0.15 -1.44 0.07 0.00 2.01 0.00 0.00 34.83 35.32 1mnl s MET 42 CO 0.11 0.16 0.22 0.21 -0.01 0.00 0.00 175.02 175.70 1mnl s LYS 43 N -3.63 0.13 0.13 2.03 2.36 0.25 -1.77 119.74 119.25 1mnl s LYS 43 Ca 0.29 0.47 0.08 0.00 -2.55 0.00 0.00 55.97 54.27 1mnl s LYS 43 Cb 0.01 -0.59 -0.04 0.00 -1.05 0.00 0.00 37.83 36.16 1mnl s LYS 43 CO 0.13 -0.45 -0.20 0.15 1.55 0.00 0.00 175.35 176.54 1mnl s LYS 44 N 2.35 1.19 0.02 4.03 1.02 -1.09 0.10 119.74 127.36 1mnl s LYS 44 Ca 0.04 -1.27 -0.11 0.00 0.02 0.00 0.00 55.97 54.66 1mnl s LYS 44 Cb -0.14 -1.38 0.01 0.00 -0.52 0.00 0.00 37.83 35.81 1mnl s LYS 44 CO -0.09 0.30 0.23 0.99 -0.92 0.00 0.00 175.35 175.86 1mnl s THR 45 N -1.52 0.09 -0.30 2.17 2.01 0.56 -1.85 115.64 116.79 1mnl s THR 45 Ca 0.10 -0.72 0.09 0.00 0.31 0.00 0.00 61.69 61.48 1mnl s THR 45 Cb -0.08 -0.73 0.46 0.00 0.01 0.00 0.00 72.50 72.16 1mnl s THR 45 CO 0.05 -0.39 1.17 0.00 -0.69 0.00 0.00 174.62 174.76 1mnl n ILE 46 N 0.99 2.33 -0.05 1.82 0.13 -1.09 0.20 119.36 123.68 1mnl n ILE 46 Ca -0.20 -4.12 0.00 0.00 -1.10 0.00 0.00 62.75 57.33 1mnl n ILE 46 Cb 0.57 -0.82 0.00 0.00 -0.84 0.00 0.00 39.64 38.55 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 -0.66 0.00 -0.12 9.51 4.11 -1.02 -2.90 117.16 126.09 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 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.25 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 0.05 0.00 -3.48 0.28 -1.26 -4.22 120.64 112.00 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 0.27 -0.16 0.00 0.00 177.13 177.24 1mnl n ASN 49 N -1.19 0.00 -0.03 -1.84 6.94 -1.26 -4.90 115.26 112.98 1mnl n ASN 49 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.53 1mnl n ASN 49 Cb 0.00 0.32 -0.03 0.00 -2.36 0.00 0.00 39.78 37.71 1mnl n ASN 49 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1mnl n GLU 50 N -2.13 1.23 -0.23 -3.83 0.00 -1.26 -4.96 120.64 109.45 1mnl n GLU 50 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 57.16 57.18 1mnl n GLU 50 Cb 0.00 -1.11 -0.00 0.00 0.00 0.00 0.00 31.44 30.33 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 -2.49 0.00 0.00 5.31 0.63 -1.26 -5.15 116.66 113.70 1mnl n ARG 51 Ca -0.09 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 1mnl n ARG 51 Cb 0.62 0.03 0.00 0.00 0.45 0.00 0.00 32.46 33.56 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 0.00 3.22 -3.58 -0.14 0.28 -1.26 -5.09 120.64 114.07 1mnl n GLU 52 Ca -0.01 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.93 1mnl n GLU 52 Cb 0.22 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.06 1mnl n GLU 52 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 1mnl s ILE 53 N 3.69 0.00 0.00 3.84 1.10 -1.26 -4.18 121.20 124.39 1mnl s ILE 53 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 1mnl s ILE 53 Cb 0.00 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.61 1mnl s ILE 53 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 174.94 173.12 1mnl n LYS 54 N 0.11 0.00 -4.05 3.50 5.02 -1.26 -3.91 118.16 117.57 1mnl n LYS 54 Ca -0.04 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.13 1mnl n LYS 54 Cb 0.59 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.56 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 -1.61 1.11 -0.28 0.72 0.00 -1.14 -0.04 107.32 106.09 1mnl s GLY 55 Ca 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.45 1mnl s GLY 55 CO 0.00 -0.87 0.48 -0.47 0.00 0.00 0.00 173.10 172.25 1mnl s TYR 56 N -3.39 -1.29 0.12 1.90 5.04 -0.92 -2.43 117.35 116.39 1mnl s TYR 56 Ca 0.28 0.90 0.04 0.00 -2.44 0.00 0.00 57.07 55.85 1mnl s TYR 56 Cb -0.00 0.14 -0.04 0.00 0.35 0.00 0.00 41.96 42.41 1mnl s TYR 56 CO 0.16 -0.93 0.12 -1.83 -1.34 0.00 0.00 175.55 171.72 1mnl s GLU 57 N 2.68 2.93 0.07 4.97 -1.05 -0.77 -0.71 118.70 126.82 1mnl s GLU 57 Ca 0.13 -0.75 0.06 0.00 -0.15 0.00 0.00 54.97 54.26 1mnl s GLU 57 Cb -0.13 -2.71 -0.03 0.00 -0.44 0.00 0.00 34.13 30.82 1mnl s GLU 57 CO -0.24 0.53 -0.17 -0.47 0.95 0.00 0.00 175.26 175.86 1mnl s TYR 58 N -1.56 1.45 -0.20 4.83 5.04 -0.00 -2.68 117.35 124.23 1mnl s TYR 58 Ca 0.30 -0.42 -0.03 0.00 -2.44 0.00 0.00 57.07 54.49 1mnl s TYR 58 Cb -0.11 -0.82 0.06 0.00 0.35 0.00 0.00 41.96 41.44 1mnl s TYR 58 CO 0.23 0.10 0.03 -0.65 -1.34 0.00 0.00 175.55 173.93 1mnl s GLN 59 N -1.63 0.67 -0.74 4.97 -0.21 -0.73 -2.43 119.66 119.56 1mnl s GLN 59 Ca 0.02 -0.44 0.04 0.00 0.02 0.00 0.00 55.36 55.00 1mnl s GLN 59 Cb -0.09 -2.12 0.25 0.00 1.00 0.00 0.00 33.01 32.04 1mnl s GLN 59 CO 0.03 -0.65 0.84 -0.11 -2.12 0.00 0.00 175.29 173.28 1mnl n LEU 60 N 5.04 4.16 -4.59 2.90 7.94 -1.09 0.21 117.00 131.57 1mnl n LEU 60 Ca -0.09 -5.36 -0.42 0.00 -1.11 0.00 0.00 56.01 49.03 1mnl n LEU 60 Cb 0.47 -0.81 -0.02 0.00 0.53 0.00 0.00 43.42 43.58 1mnl n LEU 60 CO 0.13 1.93 1.34 -0.47 -1.11 0.00 0.00 177.39 179.21 1mnl s TYR 61 N -2.34 2.17 0.00 1.96 5.04 -1.04 -2.50 117.35 120.64 1mnl s TYR 61 Ca 0.36 0.63 0.00 0.00 -2.44 0.00 0.00 57.07 55.62 1mnl s TYR 61 Cb 0.09 -4.26 0.00 0.00 0.35 0.00 0.00 41.96 38.14 1mnl s TYR 61 CO -0.02 -2.26 0.00 1.33 -1.34 0.00 0.00 175.55 173.26 1mnl n VAL 62 N 7.15 0.00 -4.16 3.14 0.24 0.85 -2.98 118.33 122.57 1mnl n VAL 62 Ca 0.18 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.32 1mnl n VAL 62 Cb 0.48 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.71 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 -2.82 0.54 0.00 6.34 6.14 -0.52 -1.89 117.35 125.14 1mnl s TYR 63 Ca 0.00 -0.18 0.00 0.00 0.64 0.00 0.00 57.07 57.53 1mnl s TYR 63 Cb 0.00 -0.34 0.00 0.00 0.42 0.00 0.00 41.96 42.04 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 2.63 0.00 -0.09 3.97 0.00 -1.19 -1.50 120.51 124.34 1mnl n ALA 64 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 1mnl n ALA 64 Cb 0.57 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.86 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 0.05 -0.41 0.00 2.88 -1.26 -2.87 113.62 112.00 1mnl n SER 65 Ca 0.00 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1mnl n SER 65 Cb 0.00 1.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.50 1mnl n SER 65 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1mnl n ASP 66 N -2.72 0.00 -4.10 -3.46 8.00 -1.26 -5.00 116.55 108.01 1mnl n ASP 66 Ca -0.29 -1.46 -0.37 0.00 0.71 0.00 0.00 54.79 53.38 1mnl n ASP 66 Cb 1.09 -0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 42.05 1mnl n ASP 66 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1mnl n LYS 67 N 0.00 2.84 -1.60 -1.24 4.81 -1.26 -4.93 118.16 116.78 1mnl n LYS 67 Ca 0.00 -4.49 -0.35 0.00 -0.87 0.00 0.00 58.31 52.60 1mnl n LYS 67 Cb 0.59 -2.43 -0.04 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 2.23 7.78 0.00 3.14 4.32 -1.26 -3.16 117.00 130.05 1mnl n LEU 68 Ca 0.23 -4.43 0.00 0.00 -0.02 0.00 0.00 56.01 51.79 1mnl n LEU 68 Cb 0.37 -1.41 0.00 0.00 -1.62 0.00 0.00 43.42 40.76 1mnl n LEU 68 CO 0.40 1.99 0.00 2.22 -1.22 0.00 0.00 177.39 180.77 1mnl n PHE 69 N 2.29 0.00 -4.55 -1.77 1.16 -0.79 -3.06 117.46 110.74 1mnl n PHE 69 Ca 0.64 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.99 1mnl n PHE 69 Cb 0.35 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.08 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 1.20 -0.30 3.97 3.52 0.10 0.29 118.95 127.74 1mnl s ARG 70 Ca 0.00 -0.81 -0.04 0.00 -0.13 0.00 0.00 55.73 54.75 1mnl s ARG 70 Cb 0.00 -1.25 0.04 0.00 -1.56 0.00 0.00 34.95 32.18 1mnl s ARG 70 CO 0.00 0.32 0.03 0.00 -0.81 0.00 0.00 175.30 174.84 1mnl s ALA 71 N -0.75 2.90 0.44 6.12 0.00 -1.04 -0.00 121.76 129.42 1mnl s ALA 71 Ca 0.05 -1.66 0.07 0.00 0.00 0.00 0.00 51.96 50.42 1mnl s ALA 71 Cb -0.08 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 21.03 1mnl s ALA 71 CO 0.01 -1.16 0.60 0.34 0.00 0.00 0.00 175.76 175.55 1mnl s ASP 72 N 1.34 5.60 -0.23 0.00 2.15 -0.91 -2.67 116.67 121.96 1mnl s ASP 72 Ca -0.02 -0.37 -0.04 0.00 0.43 0.00 0.00 52.55 52.55 1mnl s ASP 72 Cb -0.19 -0.68 0.12 0.00 -0.30 0.00 0.00 42.92 41.87 1mnl s ASP 72 CO -0.00 -0.82 0.39 -0.51 -0.17 0.00 0.00 175.17 174.06 1mnl s ILE 73 N -2.41 -0.62 0.13 4.11 1.10 -1.02 -2.71 121.20 119.78 1mnl s ILE 73 Ca 0.55 0.01 -0.01 0.00 -0.51 0.00 0.00 60.65 60.69 1mnl s ILE 73 Cb -0.10 -0.76 -0.05 0.00 0.15 0.00 0.00 42.46 41.70 1mnl s ILE 73 CO 0.34 -0.05 0.31 -0.55 -2.11 0.00 0.00 174.94 172.87 1mnl s SER 74 N 2.57 6.41 -0.23 4.50 0.15 -1.06 -0.82 113.70 125.22 1mnl s SER 74 Ca 0.08 0.39 -0.03 0.00 0.70 0.00 0.00 55.95 57.09 1mnl s SER 74 Cb -0.14 -2.01 0.12 0.00 -1.71 0.00 0.00 66.02 62.28 1mnl s SER 74 CO -0.15 0.07 0.31 -1.61 1.20 0.00 0.00 173.24 173.07 1mnl s GLU 75 N -2.80 0.28 0.84 5.44 2.02 0.11 -2.61 118.70 121.98 1mnl s GLU 75 Ca 0.38 0.40 -0.14 0.00 0.02 0.00 0.00 54.97 55.63 1mnl s GLU 75 Cb -0.12 -0.77 0.03 0.00 0.10 0.00 0.00 34.13 33.36 1mnl s GLU 75 CO 0.27 -0.65 0.66 -0.40 0.02 0.00 0.00 175.26 175.17 1mnl n ASP 76 N 5.35 -0.97 0.02 -0.19 5.68 -0.95 -2.16 116.55 123.33 1mnl n ASP 76 Ca -0.04 0.48 0.00 0.00 -0.50 0.00 0.00 54.79 54.73 1mnl n ASP 76 Cb 0.50 -1.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.19 1mnl n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mnl n TYR 77 N -3.13 -1.31 0.00 2.11 4.19 0.76 -4.68 117.16 115.11 1mnl n TYR 77 Ca 0.10 0.11 0.00 0.00 3.31 0.00 0.00 57.90 61.42 1mnl n TYR 77 Cb 0.51 0.68 0.00 0.00 0.49 0.00 0.00 39.34 41.02 1mnl n TYR 77 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1mnl n LYS 78 N -2.61 0.85 0.00 2.98 4.81 0.95 -4.59 118.16 120.54 1mnl n LYS 78 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.56 1mnl n LYS 78 Cb 0.00 -0.88 0.67 0.00 0.02 0.00 0.00 35.03 34.84 1mnl n LYS 78 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1mnl n THR 79 N -2.08 0.12 -2.61 3.15 5.66 -1.12 -4.87 114.28 112.52 1mnl n THR 79 Ca 0.00 0.03 -0.06 0.00 -3.05 0.00 0.00 64.05 60.97 1mnl n THR 79 Cb 0.38 -0.64 0.03 0.00 -1.55 0.00 0.00 70.33 68.55 1mnl n THR 79 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1mnl n ARG 80 N -1.14 -2.29 0.00 1.09 5.12 -1.26 -5.05 116.66 113.13 1mnl n ARG 80 Ca 0.15 0.27 0.00 0.00 -1.93 0.00 0.00 57.85 56.34 1mnl n ARG 80 Cb 0.14 -3.58 0.00 0.00 -1.16 0.00 0.00 32.46 27.86 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 -1.02 -2.37 3.78 -0.13 0.00 -1.26 -4.82 105.19 99.37 1mnl n GLY 81 Ca -0.05 -0.48 0.01 0.00 0.00 0.00 0.00 46.02 45.50 1mnl n GLY 81 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1mnl s ARG 82 N 0.00 0.60 -0.22 1.61 1.04 -1.26 -4.14 118.95 116.57 1mnl s ARG 82 Ca 0.00 -0.36 -0.08 0.00 -1.04 0.00 0.00 55.73 54.25 1mnl s ARG 82 Cb 0.00 0.18 -0.04 0.00 -2.04 0.00 0.00 34.95 33.05 1mnl s ARG 82 CO 0.00 -0.28 0.10 0.21 -0.04 0.00 0.00 175.30 175.29 1mnl s LYS 83 N -2.35 3.92 0.00 3.89 2.20 -1.22 0.07 119.74 126.25 1mnl s LYS 83 Ca 0.20 -0.36 -0.00 0.00 -0.36 0.00 0.00 55.97 55.45 1mnl s LYS 83 Cb 0.02 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1mnl s LYS 83 CO -0.01 0.08 0.00 -0.11 -0.36 0.00 0.00 175.35 174.95 1mnl n LEU 84 N 4.16 0.00 0.00 5.43 7.94 -1.07 -4.91 117.00 128.54 1mnl n LEU 84 Ca -0.16 -0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.73 1mnl n LEU 84 Cb 0.52 0.01 0.02 0.00 0.53 0.00 0.00 43.42 44.50 1mnl n LEU 84 CO 0.34 -0.00 0.91 0.00 -1.11 0.00 0.00 177.39 177.53 1mnl n LEU 85 N 0.00 0.00 -3.22 -1.96 -0.00 -1.25 -2.56 117.00 108.01 1mnl n LEU 85 Ca -0.00 -1.14 0.04 0.00 -0.00 0.00 0.00 56.01 54.91 1mnl n LEU 85 Cb 0.00 2.54 -0.02 0.00 -0.00 0.00 0.00 43.42 45.94 1mnl n LEU 85 CO 0.00 -0.38 0.52 0.00 -0.00 0.00 0.00 177.39 177.53 1mnl s ARG 86 N -2.04 0.28 -1.01 1.47 1.70 -1.10 -4.83 118.95 113.41 1mnl s ARG 86 Ca 0.25 0.55 -0.16 0.00 -0.47 0.00 0.00 55.73 55.90 1mnl s ARG 86 Cb -0.02 0.32 0.16 0.00 -0.57 0.00 0.00 34.95 34.83 1mnl s ARG 86 CO 0.04 -0.24 1.19 -0.06 -1.08 0.00 0.00 175.30 175.14 1mnl s PHE 87 N 2.79 3.34 0.05 5.89 0.08 -1.24 -2.15 117.98 126.75 1mnl s PHE 87 Ca 0.02 -1.72 -0.02 0.00 0.12 0.00 0.00 56.93 55.33 1mnl s PHE 87 Cb -0.10 -4.24 0.01 0.00 -0.57 0.00 0.00 43.02 38.12 1mnl s PHE 87 CO -0.14 -1.40 0.11 0.27 -0.10 0.00 0.00 175.22 173.96 1mnl n ASN 88 N 5.91 -0.31 -0.60 1.36 2.04 0.99 -4.83 115.26 119.83 1mnl n ASN 88 Ca 0.27 -1.21 0.00 0.00 -0.44 0.00 0.00 54.58 53.20 1mnl n ASN 88 Cb 0.47 0.51 0.00 0.00 -2.53 0.00 0.00 39.78 38.22 1mnl n ASN 88 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1mnl n GLY 89 N -0.07 0.90 3.69 4.83 0.00 -1.26 0.03 105.19 113.30 1mnl n GLY 89 Ca -0.01 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.60 2.76 0.00 1.61 -0.04 -1.25 -4.18 135.00 133.30 1mnl n PRO 90 Ca 0.00 1.00 0.08 0.00 -0.04 0.00 0.00 63.50 64.54 1mnl n PRO 90 Cb 0.20 -2.90 0.47 0.00 -0.04 0.00 0.00 33.50 31.23 1mnl n PRO 90 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01