#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 1.92 0.26 1.61 2.02 -0.61 -4.98 118.70 118.91 1mnl s GLU 2 Ca 0.00 -2.17 0.02 0.00 0.02 0.00 0.00 54.97 52.84 1mnl s GLU 2 Cb 0.00 -0.40 -0.05 0.00 0.10 0.00 0.00 34.13 33.77 1mnl s GLU 2 CO 0.00 -0.53 0.07 1.67 0.02 0.00 0.00 175.26 176.49 1mnl s TRP 3 N -3.25 1.56 -0.30 1.61 -2.14 -1.26 -2.58 118.94 112.59 1mnl s TRP 3 Ca 0.26 -1.12 -0.12 0.00 2.66 0.00 0.00 56.10 57.79 1mnl s TRP 3 Cb 0.02 -0.93 0.17 0.00 -3.10 0.00 0.00 33.47 29.63 1mnl s TRP 3 CO 0.17 -0.26 0.91 -2.00 -2.66 0.00 0.00 176.95 173.11 1mnl s GLU 4 N -3.99 0.34 -0.00 3.25 2.56 0.35 -4.91 118.70 116.29 1mnl s GLU 4 Ca 0.36 0.75 0.03 0.00 0.00 0.00 0.00 54.97 56.10 1mnl s GLU 4 Cb 0.08 0.44 -0.03 0.00 2.00 0.00 0.00 34.13 36.61 1mnl s GLU 4 CO 0.13 -0.22 -0.05 0.96 -0.56 0.00 0.00 175.26 175.52 1mnl s ILE 5 N 2.68 3.78 0.19 -3.70 -4.36 -1.26 0.21 121.20 118.74 1mnl s ILE 5 Ca 0.01 -0.72 0.04 0.00 -0.26 0.00 0.00 60.65 59.72 1mnl s ILE 5 Cb -0.09 -2.65 -0.02 0.00 1.25 0.00 0.00 42.46 40.96 1mnl s ILE 5 CO -0.17 0.40 0.15 2.30 0.24 0.00 0.00 174.94 177.87 1mnl n ILE 6 N 1.55 0.00 0.00 8.37 -0.00 -1.13 -4.94 119.36 123.20 1mnl n ILE 6 Ca -0.15 -1.37 0.00 0.00 -0.00 0.00 0.00 62.75 61.23 1mnl n ILE 6 Cb 0.53 0.67 0.00 0.00 -0.00 0.00 0.00 39.64 40.84 1mnl n ILE 6 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 1mnl n ASP 7 N -2.23 0.00 0.00 7.28 5.68 -1.26 -3.97 116.55 122.05 1mnl n ASP 7 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 1mnl n ASP 7 Cb 0.34 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1mnl n ASP 7 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mnl n ILE 8 N 0.00 0.00 0.14 2.12 0.13 -1.26 -4.72 119.36 115.77 1mnl n ILE 8 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1mnl n ILE 8 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 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 0.00 -1.71 0.00 4.50 0.00 -1.26 -4.97 105.19 101.76 1mnl n GLY 9 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.09 0.00 0.15 1.61 -0.04 -1.26 -3.03 135.00 129.34 1mnl n PRO 10 Ca 0.00 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 1mnl n PRO 10 Cb 0.00 -0.29 0.46 0.00 -0.04 0.00 0.00 33.50 33.62 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 0.70 0.54 -1.00 -1.95 0.13 116.94 115.36 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 -0.34 1.79 -1.61 0.00 0.00 178.31 178.15 1mnl h THR 12 N 0.00 0.01 0.00 -1.55 1.35 -1.94 0.49 112.91 111.27 1mnl h THR 12 Ca 0.16 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1mnl h THR 12 Cb 1.74 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1mnl h THR 12 CO -0.00 0.00 0.00 -0.61 -0.25 0.00 0.00 175.52 174.66 1mnl h GLN 13 N -1.25 0.00 0.01 4.72 4.15 -0.90 -3.15 115.11 118.69 1mnl h GLN 13 Ca -0.10 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 1mnl h GLN 13 Cb 0.72 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.41 1mnl h GLN 13 CO 0.16 0.00 -0.00 -0.91 -1.93 0.00 0.00 178.83 176.15 1mnl h ASN 14 N 0.00 -0.01 -0.61 -0.69 -0.26 -0.74 -3.09 115.58 110.19 1mnl h ASN 14 Ca 0.00 -0.83 0.10 0.00 -0.56 0.00 0.00 56.30 55.01 1mnl h ASN 14 Cb 0.60 0.00 -0.11 0.00 -1.06 0.00 0.00 38.32 37.75 1mnl h ASN 14 CO 0.00 0.89 -0.40 0.25 -1.06 0.00 0.00 177.43 177.11 1mnl h LEU 15 N -0.97 -1.38 -0.05 1.61 6.46 0.00 0.78 115.31 121.77 1mnl h LEU 15 Ca -0.00 0.24 0.04 0.00 -0.12 0.00 0.00 57.88 58.04 1mnl h LEU 15 Cb 0.83 0.65 -0.06 0.00 -0.73 0.00 0.00 40.66 41.36 1mnl h LEU 15 CO 0.00 -0.32 -0.33 1.23 -0.62 0.00 0.00 178.44 178.40 1mnl h GLY 16 N -0.19 -0.52 0.00 3.75 0.00 -1.66 -1.41 103.07 103.04 1mnl h GLY 16 Ca 0.21 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.94 1mnl h GLY 16 CO -0.70 -0.23 0.00 0.28 0.00 0.00 0.00 176.54 175.89 1mnl n LYS 17 N -5.41 0.00 -0.09 4.80 5.02 -0.19 -2.82 118.16 119.46 1mnl n LYS 17 Ca -0.04 0.04 -0.02 0.00 -2.02 0.00 0.00 58.31 56.26 1mnl n LYS 17 Cb 0.33 -0.79 -0.02 0.00 -0.02 0.00 0.00 35.03 34.53 1mnl n LYS 17 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1mnl n PHE 18 N -0.61 -0.10 0.00 2.13 3.01 0.25 -1.13 117.46 121.02 1mnl n PHE 18 Ca 0.00 0.27 0.00 0.00 1.01 0.00 0.00 57.45 58.73 1mnl n PHE 18 Cb 0.00 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 39.07 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 -2.94 -0.06 -0.11 4.37 0.00 -0.53 0.17 120.51 121.41 1mnl n ALA 19 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.70 1mnl n ALA 19 Cb 0.06 0.44 0.51 0.00 0.00 0.00 0.00 19.45 20.45 1mnl n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mnl h VAL 20 N 0.00 0.09 0.00 0.00 2.07 -1.02 1.73 116.25 119.12 1mnl h VAL 20 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1mnl h VAL 20 Cb 0.00 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1mnl h VAL 20 CO 0.00 0.00 -0.03 -0.67 0.02 0.00 0.00 177.57 176.89 1mnl n ASP 21 N -3.33 0.10 -0.06 0.57 -0.08 0.44 -2.65 116.55 111.53 1mnl n ASP 21 Ca 0.18 0.24 0.04 0.00 -1.51 0.00 0.00 54.79 53.74 1mnl n ASP 21 Cb 1.26 -0.52 0.39 0.00 2.34 0.00 0.00 41.12 44.59 1mnl n ASP 21 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1mnl h GLU 22 N -0.05 0.63 0.33 -0.67 4.39 0.13 2.03 114.58 121.37 1mnl h GLU 22 Ca 0.00 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1mnl h GLU 22 Cb 0.03 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1mnl h GLU 22 CO 0.00 0.42 -0.16 1.49 -1.16 0.00 0.00 179.01 179.60 1mnl h GLU 23 N 0.65 -0.42 -0.45 2.33 4.81 0.25 1.02 114.58 122.77 1mnl h GLU 23 Ca 0.20 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1mnl h GLU 23 Cb -0.01 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1mnl h GLU 23 CO -0.05 -0.11 0.10 -0.91 -0.73 0.00 0.00 179.01 177.32 1mnl h ASN 24 N -0.77 0.69 -0.47 1.04 4.21 -1.21 0.72 115.58 119.78 1mnl h ASN 24 Ca -0.04 -0.24 0.04 0.00 1.21 0.00 0.00 56.30 57.26 1mnl h ASN 24 Cb 0.51 -0.18 -0.04 0.00 -1.12 0.00 0.00 38.32 37.49 1mnl h ASN 24 CO 0.07 0.75 0.24 0.50 -1.29 0.00 0.00 177.43 177.70 1mnl h LYS 25 N 0.60 0.47 0.00 0.81 3.64 0.34 0.73 116.57 123.15 1mnl h LYS 25 Ca 0.14 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1mnl h LYS 25 Cb 0.33 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1mnl h LYS 25 CO 0.00 0.31 0.00 0.97 -2.27 0.00 0.00 179.45 178.46 1mnl h ILE 26 N 0.48 0.00 0.00 2.00 6.09 0.14 -3.45 117.51 122.78 1mnl h ILE 26 Ca 0.20 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.53 1mnl h ILE 26 Cb 0.10 0.98 0.00 0.00 0.47 0.00 0.00 36.82 38.37 1mnl h ILE 26 CO -0.14 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.55 1mnl n GLY 27 N -0.67 1.25 2.25 8.18 0.00 0.24 -5.06 105.19 111.38 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 -0.09 0.69 -0.98 1.61 6.02 0.24 -4.93 117.38 119.95 1mnl n GLN 28 Ca 0.00 -3.28 -0.11 0.00 -0.01 0.00 0.00 57.00 53.60 1mnl n GLN 28 Cb 0.00 -1.35 0.18 0.00 1.02 0.00 0.00 30.24 30.09 1mnl n GLN 28 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 1mnl n TYR 29 N 1.68 1.69 -0.31 1.08 4.11 -1.26 -3.12 117.16 121.02 1mnl n TYR 29 Ca 0.23 -1.75 0.07 0.00 -0.00 0.00 0.00 57.90 56.45 1mnl n TYR 29 Cb 0.51 -0.63 0.18 0.00 -0.00 0.00 0.00 39.34 39.40 1mnl n TYR 29 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.86 177.64 1mnl h GLY 30 N 1.08 0.86 0.00 -7.48 0.00 -1.95 -3.44 103.07 92.14 1mnl h GLY 30 Ca 0.34 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1mnl h GLY 30 CO 0.62 -0.38 0.00 0.54 0.00 0.00 0.00 176.54 177.32 1mnl n ARG 31 N -5.50 0.00 -3.98 4.80 1.74 -1.26 -5.16 116.66 107.29 1mnl n ARG 31 Ca 0.16 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.16 1mnl n ARG 31 Cb 0.54 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.88 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 -0.20 2.16 -0.76 0.55 0.05 -1.26 -5.07 118.68 114.15 1mnl s LEU 32 Ca 0.00 -0.57 0.01 0.00 0.05 0.00 0.00 54.13 53.62 1mnl s LEU 32 Cb 0.00 0.25 0.35 0.00 -2.05 0.00 0.00 46.19 44.74 1mnl s LEU 32 CO 0.00 -0.39 1.53 0.35 -0.55 0.00 0.00 176.35 177.29 1mnl n THR 33 N 1.19 4.02 -3.21 5.48 -2.24 -1.26 -4.36 114.28 113.90 1mnl n THR 33 Ca -0.21 -5.26 0.04 0.00 -2.27 0.00 0.00 64.05 56.34 1mnl n THR 33 Cb 0.57 -1.38 -0.04 0.00 -2.10 0.00 0.00 70.33 67.38 1mnl n THR 33 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1mnl s PHE 34 N -3.91 -0.18 0.32 4.78 -0.71 -1.26 -4.27 117.98 112.74 1mnl s PHE 34 Ca 0.46 0.30 0.00 0.00 -1.04 0.00 0.00 56.93 56.66 1mnl s PHE 34 Cb 0.32 0.11 0.00 0.00 -1.21 0.00 0.00 43.02 42.23 1mnl s PHE 34 CO -0.22 -0.09 0.00 -1.71 -1.34 0.00 0.00 175.22 171.86 1mnl n ASN 35 N 4.71 -2.64 0.00 1.98 5.15 -1.26 -4.44 115.26 118.76 1mnl n ASN 35 Ca -0.07 0.61 0.00 0.00 -0.60 0.00 0.00 54.58 54.52 1mnl n ASN 35 Cb 0.55 2.60 0.00 0.00 -0.53 0.00 0.00 39.78 42.40 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 -3.17 0.00 -3.84 1.20 4.76 -1.15 -4.89 118.16 111.07 1mnl n LYS 36 Ca 0.00 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 1mnl n LYS 36 Cb 0.00 -0.07 -0.01 0.00 -1.84 0.00 0.00 35.03 33.11 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 -0.12 -0.18 1.01 0.11 -4.95 120.40 116.27 1mnl s VAL 37 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1mnl s VAL 37 Cb 0.00 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 34.11 1mnl s VAL 37 CO 0.00 0.00 -0.11 -0.51 0.00 0.00 0.00 175.10 174.48 1mnl s ILE 38 N -3.38 1.28 0.15 2.22 -1.16 -1.26 -1.64 121.20 117.41 1mnl s ILE 38 Ca 0.12 -0.46 0.00 0.00 -0.51 0.00 0.00 60.65 59.80 1mnl s ILE 38 Cb -0.06 -1.24 0.00 0.00 0.61 0.00 0.00 42.46 41.78 1mnl s ILE 38 CO 0.08 0.41 0.00 -1.14 -2.81 0.00 0.00 174.94 171.48 1mnl n ARG 39 N 4.74 0.00 -1.04 3.50 0.63 -1.26 -4.54 116.66 118.69 1mnl n ARG 39 Ca -0.15 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.61 1mnl n ARG 39 Cb 0.50 -0.23 -0.04 0.00 0.45 0.00 0.00 32.46 33.14 1mnl n ARG 39 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1mnl n PRO 40 N -3.30 1.91 -2.72 -0.14 -0.04 -1.09 -4.44 135.00 125.18 1mnl n PRO 40 Ca 0.00 -1.46 -0.43 0.00 -0.04 0.00 0.00 63.50 61.57 1mnl n PRO 40 Cb 0.06 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 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 2.73 3.13 0.00 0.00 -1.94 -0.15 -2.85 119.30 120.22 1mnl s MET 42 Ca 0.48 0.38 0.01 0.00 -1.71 0.00 0.00 55.69 54.84 1mnl s MET 42 Cb 0.01 -2.14 -0.00 0.00 2.01 0.00 0.00 34.83 34.71 1mnl s MET 42 CO 0.03 -0.74 -0.02 0.21 -0.01 0.00 0.00 175.02 174.49 1mnl s LYS 43 N -5.15 0.18 -0.06 2.03 2.20 0.57 -1.94 119.74 117.57 1mnl s LYS 43 Ca 0.55 -0.12 -0.02 0.00 -0.36 0.00 0.00 55.97 56.02 1mnl s LYS 43 Cb -0.11 -0.14 0.04 0.00 -1.51 0.00 0.00 37.83 36.11 1mnl s LYS 43 CO 0.50 0.04 0.12 0.21 -0.36 0.00 0.00 175.35 175.86 1mnl s LYS 44 N -0.17 0.06 0.27 4.03 2.20 -1.00 0.13 119.74 125.25 1mnl s LYS 44 Ca -0.01 0.36 0.10 0.00 -0.36 0.00 0.00 55.97 56.06 1mnl s LYS 44 Cb -0.02 -0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.05 1mnl s LYS 44 CO -0.00 -0.18 -0.04 0.99 -0.36 0.00 0.00 175.35 175.76 1mnl s THR 45 N 1.29 3.23 -0.50 3.43 2.01 -1.06 -2.59 115.64 121.44 1mnl s THR 45 Ca -0.08 -2.01 0.04 0.00 0.31 0.00 0.00 61.69 59.95 1mnl s THR 45 Cb -0.12 -2.74 0.16 0.00 0.01 0.00 0.00 72.50 69.81 1mnl s THR 45 CO -0.05 -0.37 0.36 -0.51 -0.69 0.00 0.00 174.62 173.35 1mnl s ILE 46 N -2.37 1.36 0.00 1.82 2.07 -1.14 -1.57 121.20 121.36 1mnl s ILE 46 Ca 0.31 -3.08 0.00 0.00 -1.41 0.00 0.00 60.65 56.47 1mnl s ILE 46 Cb -0.06 -1.92 0.00 0.00 0.13 0.00 0.00 42.46 40.61 1mnl s ILE 46 CO 0.19 -1.08 0.00 -1.22 -1.91 0.00 0.00 174.94 170.92 1mnl n TYR 47 N 2.79 -1.66 0.00 3.50 4.01 -1.25 0.13 117.16 124.67 1mnl n TYR 47 Ca 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 1mnl n TYR 47 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 1mnl n TYR 47 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1mnl n GLU 48 N -0.74 0.00 0.00 -0.72 4.07 -1.15 -4.08 120.64 118.01 1mnl n GLU 48 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1mnl n GLU 48 Cb 0.00 -0.03 0.00 0.00 -0.06 0.00 0.00 31.44 31.35 1mnl n GLU 48 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1mnl n ASN 49 N 0.00 0.00 -0.44 4.31 5.03 -1.26 -4.89 115.26 118.01 1mnl n ASN 49 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1mnl n ASN 49 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1mnl n ASN 49 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1mnl n GLU 50 N -1.29 0.00 0.00 3.52 2.13 -1.26 -4.90 120.64 118.84 1mnl n GLU 50 Ca 0.00 -0.58 0.00 0.00 0.66 0.00 0.00 57.16 57.24 1mnl n GLU 50 Cb 0.00 -0.31 0.00 0.00 0.27 0.00 0.00 31.44 31.40 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 0.00 0.38 0.00 5.31 0.63 -1.26 -5.13 116.66 116.59 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 0.61 -0.37 0.00 0.00 0.45 0.00 0.00 32.46 33.15 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 -0.46 3.93 -4.48 -0.14 -0.58 -1.26 -5.07 120.64 112.58 1mnl n GLU 52 Ca 0.00 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.51 1mnl n GLU 52 Cb 0.00 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 30.76 1mnl n GLU 52 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1mnl s ILE 53 N 1.09 1.44 0.00 -3.67 1.10 -1.26 -3.40 121.20 116.50 1mnl s ILE 53 Ca 0.00 -2.02 0.00 0.00 -0.51 0.00 0.00 60.65 58.12 1mnl s ILE 53 Cb 0.00 -2.77 0.00 0.00 0.15 0.00 0.00 42.46 39.84 1mnl s ILE 53 CO 0.00 -0.06 0.00 1.17 -2.11 0.00 0.00 174.94 173.94 1mnl n LYS 54 N -0.72 0.00 -4.16 3.50 4.81 -1.26 -2.94 118.16 117.39 1mnl n LYS 54 Ca -0.03 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.28 1mnl n LYS 54 Cb 0.66 -0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.62 1mnl n LYS 54 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1mnl s GLY 55 N -2.40 1.40 -0.39 3.14 0.00 0.34 -0.71 107.32 108.70 1mnl s GLY 55 Ca 0.00 -1.58 0.06 0.00 0.00 0.00 0.00 44.72 43.21 1mnl s GLY 55 CO 0.00 -1.22 0.66 -0.47 0.00 0.00 0.00 173.10 172.07 1mnl s TYR 56 N -3.92 -1.65 0.47 1.90 5.04 -0.76 -2.89 117.35 115.53 1mnl s TYR 56 Ca 0.35 0.36 0.01 0.00 -2.44 0.00 0.00 57.07 55.35 1mnl s TYR 56 Cb 0.04 0.30 -0.01 0.00 0.35 0.00 0.00 41.96 42.65 1mnl s TYR 56 CO 0.15 -1.09 0.05 0.39 -1.34 0.00 0.00 175.55 173.70 1mnl n GLU 57 N 4.51 0.72 -3.70 4.97 1.02 -1.07 -1.36 120.64 125.73 1mnl n GLU 57 Ca 0.10 -3.56 -0.06 0.00 -0.02 0.00 0.00 57.16 53.61 1mnl n GLU 57 Cb 0.57 1.30 -0.02 0.00 -0.02 0.00 0.00 31.44 33.27 1mnl n GLU 57 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1mnl s TYR 58 N -2.90 -0.23 -0.27 -0.32 -0.85 0.31 -2.38 117.35 110.69 1mnl s TYR 58 Ca 0.07 -0.07 0.03 0.00 -0.52 0.00 0.00 57.07 56.58 1mnl s TYR 58 Cb 0.00 0.63 0.07 0.00 0.38 0.00 0.00 41.96 43.04 1mnl s TYR 58 CO 0.05 -0.89 -0.07 -0.65 -1.52 0.00 0.00 175.55 172.47 1mnl s GLN 59 N -3.49 2.01 -1.11 -3.49 -0.21 -0.82 -2.07 119.66 110.48 1mnl s GLN 59 Ca 0.09 -1.42 -0.06 0.00 0.02 0.00 0.00 55.36 54.00 1mnl s GLN 59 Cb -0.03 -2.91 0.29 0.00 1.00 0.00 0.00 33.01 31.36 1mnl s GLN 59 CO -0.00 -0.65 1.47 -0.11 -2.12 0.00 0.00 175.29 173.88 1mnl n LEU 60 N 4.42 6.30 -4.61 2.90 7.94 -1.18 -0.98 117.00 131.79 1mnl n LEU 60 Ca -0.10 -5.11 -0.43 0.00 -1.11 0.00 0.00 56.01 49.26 1mnl n LEU 60 Cb 0.42 -1.33 -0.02 0.00 0.53 0.00 0.00 43.42 43.01 1mnl n LEU 60 CO 0.21 1.59 1.31 -0.47 -1.11 0.00 0.00 177.39 178.91 1mnl s TYR 61 N -2.12 2.27 0.00 1.96 5.04 -0.93 -1.89 117.35 121.68 1mnl s TYR 61 Ca 0.32 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.62 1mnl s TYR 61 Cb 0.03 -4.17 0.00 0.00 0.35 0.00 0.00 41.96 38.17 1mnl s TYR 61 CO 0.07 -2.30 0.00 1.33 -1.34 0.00 0.00 175.55 173.30 1mnl n VAL 62 N 6.93 0.00 -3.80 3.14 0.24 0.81 -2.68 118.33 122.97 1mnl n VAL 62 Ca 0.18 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.31 1mnl n VAL 62 Cb 0.47 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.67 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 -5.27 0.19 0.00 6.34 5.04 -0.65 -1.71 117.35 121.28 1mnl s TYR 63 Ca 0.00 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 1mnl s TYR 63 Cb 0.00 -0.40 0.00 0.00 0.35 0.00 0.00 41.96 41.91 1mnl s TYR 63 CO 0.00 -0.15 0.00 0.00 -1.34 0.00 0.00 175.55 174.06 1mnl n ALA 64 N 4.50 0.00 0.14 3.97 0.00 -1.06 0.10 120.51 128.15 1mnl n ALA 64 Ca -0.20 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.35 1mnl n ALA 64 Cb 0.50 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.79 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 0.16 -2.57 0.00 2.88 -1.26 -2.93 113.62 109.89 1mnl n SER 65 Ca 0.00 -0.14 -0.01 0.00 -1.33 0.00 0.00 58.87 57.38 1mnl n SER 65 Cb 0.00 1.83 0.08 0.00 -0.75 0.00 0.00 64.21 65.37 1mnl n SER 65 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1mnl n ASP 66 N -2.15 -0.10 -3.30 -3.46 2.03 -1.26 -5.03 116.55 103.28 1mnl n ASP 66 Ca -0.03 -2.12 -0.14 0.00 0.52 0.00 0.00 54.79 53.03 1mnl n ASP 66 Cb 0.53 0.15 -0.06 0.00 -0.72 0.00 0.00 41.12 41.02 1mnl n ASP 66 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1mnl s LYS 67 N -1.45 0.72 -1.26 -0.67 2.36 -1.26 -5.03 119.74 113.16 1mnl s LYS 67 Ca 0.17 -0.88 -0.04 0.00 -2.55 0.00 0.00 55.97 52.67 1mnl s LYS 67 Cb 0.37 -0.59 0.17 0.00 -1.05 0.00 0.00 37.83 36.72 1mnl s LYS 67 CO -0.09 -1.22 2.26 1.28 1.55 0.00 0.00 175.35 179.13 1mnl n LEU 68 N 4.06 7.90 0.00 5.43 4.77 -1.26 -2.57 117.00 135.33 1mnl n LEU 68 Ca 0.13 -5.00 0.00 0.00 -0.03 0.00 0.00 56.01 51.11 1mnl n LEU 68 Cb 0.48 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 1mnl n LEU 68 CO 0.07 2.06 0.00 2.22 -1.33 0.00 0.00 177.39 180.41 1mnl n PHE 69 N 1.32 0.00 -4.51 -1.77 1.16 -0.69 -3.94 117.46 109.03 1mnl n PHE 69 Ca 0.59 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.90 1mnl n PHE 69 Cb 0.25 0.00 -0.13 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 1.39 -0.57 3.97 3.00 -0.50 0.28 118.95 126.52 1mnl s ARG 70 Ca 0.00 -1.16 -0.14 0.00 -1.00 0.00 0.00 55.73 53.43 1mnl s ARG 70 Cb 0.00 -1.68 0.14 0.00 0.00 0.00 0.00 34.95 33.42 1mnl s ARG 70 CO 0.00 0.41 0.50 0.00 0.00 0.00 0.00 175.30 176.21 1mnl s ALA 71 N -0.99 3.66 0.61 6.12 0.00 -0.79 -1.71 121.76 128.66 1mnl s ALA 71 Ca 0.10 -2.69 -0.17 0.00 0.00 0.00 0.00 51.96 49.20 1mnl s ALA 71 Cb -0.10 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1mnl s ALA 71 CO 0.04 -2.04 1.13 0.34 0.00 0.00 0.00 175.76 175.24 1mnl s ASP 72 N 3.05 5.31 -0.23 0.00 -1.08 -0.73 -3.10 116.67 119.89 1mnl s ASP 72 Ca 0.07 2.14 -0.12 0.00 -0.52 0.00 0.00 52.55 54.12 1mnl s ASP 72 Cb -0.26 -2.57 0.08 0.00 -1.46 0.00 0.00 42.92 38.71 1mnl s ASP 72 CO -0.00 -1.50 0.54 -0.63 0.52 0.00 0.00 175.17 174.10 1mnl s ILE 73 N -2.00 -0.19 0.12 4.11 -1.09 -0.88 -0.95 121.20 120.32 1mnl s ILE 73 Ca 0.71 0.06 0.06 0.00 -2.23 0.00 0.00 60.65 59.24 1mnl s ILE 73 Cb -0.23 -0.81 -0.04 0.00 -1.58 0.00 0.00 42.46 39.80 1mnl s ILE 73 CO 0.35 0.02 -0.13 -0.55 -1.23 0.00 0.00 174.94 173.40 1mnl s SER 74 N 1.80 1.92 -0.26 3.58 0.15 -0.73 0.11 113.70 120.27 1mnl s SER 74 Ca -0.08 -0.83 -0.06 0.00 0.70 0.00 0.00 55.95 55.67 1mnl s SER 74 Cb -0.08 -0.05 0.13 0.00 -1.71 0.00 0.00 66.02 64.31 1mnl s SER 74 CO -0.16 -0.18 0.53 -1.61 1.20 0.00 0.00 173.24 173.02 1mnl s GLU 75 N -2.80 0.46 0.99 5.44 8.01 -0.47 -2.30 118.70 128.04 1mnl s GLU 75 Ca 0.09 1.12 -0.28 0.00 0.01 0.00 0.00 54.97 55.91 1mnl s GLU 75 Cb -0.04 0.46 -0.20 0.00 -4.31 0.00 0.00 34.13 30.05 1mnl s GLU 75 CO 0.03 -0.35 -1.56 -0.40 0.01 0.00 0.00 175.26 172.98 1mnl n ASP 76 N 5.42 -2.99 0.17 -0.19 5.68 -0.96 -1.83 116.55 121.85 1mnl n ASP 76 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 1mnl n ASP 76 Cb 0.50 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 -3.48 -3.29 0.00 2.11 4.19 0.11 -4.52 117.16 112.28 1mnl n TYR 77 Ca -0.02 0.88 0.00 0.00 3.31 0.00 0.00 57.90 62.07 1mnl n TYR 77 Cb 0.76 1.98 0.00 0.00 0.49 0.00 0.00 39.34 42.57 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 -3.36 0.29 -0.67 2.98 0.00 -1.15 -4.67 118.16 111.58 1mnl n LYS 78 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.18 1mnl n LYS 78 Cb 0.00 -0.84 0.10 0.00 0.00 0.00 0.00 35.03 34.29 1mnl n LYS 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1mnl n THR 79 N -2.11 2.21 -4.15 3.15 -2.24 -1.26 -4.88 114.28 105.01 1mnl n THR 79 Ca 0.00 -1.06 -0.44 0.00 -2.27 0.00 0.00 64.05 60.28 1mnl n THR 79 Cb 0.34 -0.72 -0.01 0.00 -2.10 0.00 0.00 70.33 67.84 1mnl n THR 79 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1mnl n ARG 80 N -0.39 -0.34 0.00 -0.78 0.00 -1.26 -4.92 116.66 108.97 1mnl n ARG 80 Ca 0.33 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 58.23 1mnl n ARG 80 Cb 1.13 -2.67 0.00 0.00 -0.00 0.00 0.00 32.46 30.93 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 -2.22 -1.54 3.59 2.89 0.00 -1.26 -4.82 105.19 101.84 1mnl n GLY 81 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.37 -0.21 1.61 1.81 -1.26 -4.55 118.95 116.71 1mnl s ARG 82 Ca 0.00 -0.05 -0.08 0.00 -1.72 0.00 0.00 55.73 53.88 1mnl s ARG 82 Cb 0.00 0.17 -0.04 0.00 -0.45 0.00 0.00 34.95 34.63 1mnl s ARG 82 CO 0.00 -0.14 0.09 0.15 -0.68 0.00 0.00 175.30 174.72 1mnl s LYS 83 N -1.89 3.94 0.12 3.54 1.02 -1.25 -1.52 119.74 123.69 1mnl s LYS 83 Ca 0.06 -0.35 -0.24 0.00 0.02 0.00 0.00 55.97 55.46 1mnl s LYS 83 Cb -0.01 -3.33 0.08 0.00 -0.52 0.00 0.00 37.83 34.06 1mnl s LYS 83 CO -0.04 0.12 1.13 -1.17 -0.92 0.00 0.00 175.35 174.46 1mnl s LEU 84 N 0.82 0.01 0.05 3.17 2.96 -0.97 -4.95 118.68 119.76 1mnl s LEU 84 Ca 0.05 -0.52 -0.28 0.00 -0.22 0.00 0.00 54.13 53.15 1mnl s LEU 84 Cb -0.13 1.82 0.09 0.00 0.50 0.00 0.00 46.19 48.47 1mnl s LEU 84 CO 0.02 -0.76 1.06 -1.48 -1.32 0.00 0.00 176.35 173.88 1mnl s LEU 85 N -3.57 -0.17 0.00 -0.68 2.34 -1.25 -1.77 118.68 113.58 1mnl s LEU 85 Ca 0.25 -0.23 0.02 0.00 0.06 0.00 0.00 54.13 54.23 1mnl s LEU 85 Cb -0.02 1.85 -0.01 0.00 -0.56 0.00 0.00 46.19 47.45 1mnl s LEU 85 CO 0.03 -0.63 0.18 0.54 -1.06 0.00 0.00 176.35 175.42 1mnl n ARG 86 N -0.41 0.26 -3.04 1.48 1.74 -0.13 -4.84 116.66 111.73 1mnl n ARG 86 Ca -0.07 -1.56 -0.09 0.00 -0.77 0.00 0.00 57.85 55.36 1mnl n ARG 86 Cb 0.61 1.37 -0.02 0.00 -1.02 0.00 0.00 32.46 33.39 1mnl n ARG 86 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1mnl s PHE 87 N -3.19 -1.01 0.00 -1.55 0.40 -1.24 -1.77 117.98 109.62 1mnl s PHE 87 Ca 0.18 -0.73 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 1mnl s PHE 87 Cb 0.00 0.01 0.00 0.00 0.51 0.00 0.00 43.02 43.55 1mnl s PHE 87 CO 0.13 -1.14 0.00 0.27 0.70 0.00 0.00 175.22 175.18 1mnl n ASN 88 N 3.41 0.00 -0.82 1.36 0.23 -0.69 -4.90 115.26 113.86 1mnl n ASN 88 Ca 0.18 -0.41 0.00 0.00 -0.53 0.00 0.00 54.58 53.82 1mnl n ASN 88 Cb 0.53 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 1mnl n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mnl n GLY 89 N 0.00 0.68 3.76 4.83 0.00 -1.26 -1.40 105.19 111.80 1mnl n GLY 89 Ca 0.00 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.47 3.55 0.00 1.61 0.04 -1.26 -4.39 135.00 132.09 1mnl s PRO 90 Ca 0.00 2.19 0.16 0.00 0.04 0.00 0.00 61.00 63.39 1mnl s PRO 90 Cb 0.00 -2.49 0.94 0.00 0.04 0.00 0.00 34.50 32.99 1mnl s PRO 90 CO 0.00 -0.84 1.35 1.33 0.04 0.00 0.00 177.00 178.87