#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 1.16 0.39 1.61 2.56 -0.41 -5.00 118.70 119.00 1mnl s GLU 2 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 54.97 54.25 1mnl s GLU 2 Cb 0.00 0.48 -0.03 0.00 2.00 0.00 0.00 34.13 36.59 1mnl s GLU 2 CO 0.00 -0.46 0.16 1.67 -0.56 0.00 0.00 175.26 176.07 1mnl s TRP 3 N -3.83 1.76 0.00 5.30 -2.14 -1.26 -1.50 118.94 117.28 1mnl s TRP 3 Ca 0.05 -1.37 0.00 0.00 2.66 0.00 0.00 56.10 57.44 1mnl s TRP 3 Cb 0.01 -1.05 0.00 0.00 -3.10 0.00 0.00 33.47 29.33 1mnl s TRP 3 CO -0.09 -0.43 0.00 -1.91 -2.66 0.00 0.00 176.95 171.86 1mnl n GLU 4 N -0.84 0.00 -1.56 3.25 2.13 0.56 -4.87 120.64 119.32 1mnl n GLU 4 Ca -0.03 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.49 1mnl n GLU 4 Cb 0.64 0.00 0.22 0.00 0.27 0.00 0.00 31.44 32.57 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 1.80 0.00 6.31 -4.36 -1.26 -0.47 121.20 123.22 1mnl s ILE 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.39 1mnl s ILE 5 Cb 0.00 -2.78 0.00 0.00 1.25 0.00 0.00 42.46 40.93 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 -4.26 0.00 -2.69 8.37 -0.00 -1.16 -4.71 119.36 114.91 1mnl n ILE 6 Ca 0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 62.75 62.85 1mnl n ILE 6 Cb 0.59 -1.36 0.11 0.00 -0.00 0.00 0.00 39.64 38.99 1mnl n ILE 6 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1mnl n ASP 7 N -1.25 -1.23 -4.10 7.28 -0.08 -1.26 -4.97 116.55 110.94 1mnl n ASP 7 Ca 0.00 -2.39 -0.34 0.00 -1.51 0.00 0.00 54.79 50.55 1mnl n ASP 7 Cb 0.00 0.67 -0.06 0.00 2.34 0.00 0.00 41.12 44.07 1mnl n ASP 7 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mnl n ILE 8 N -0.83 -0.03 0.07 5.18 3.06 -1.26 -4.56 119.36 120.98 1mnl n ILE 8 Ca -0.06 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.19 1mnl n ILE 8 Cb 0.85 -0.44 0.00 0.00 0.54 0.00 0.00 39.64 40.59 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 -0.95 -0.54 0.00 4.50 0.00 -1.26 -4.91 105.19 102.03 1mnl n GLY 9 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.93 0.00 -0.65 1.61 -0.04 -1.26 -3.11 135.00 128.61 1mnl n PRO 10 Ca 0.00 0.03 0.51 0.00 -0.04 0.00 0.00 63.50 63.99 1mnl n PRO 10 Cb 0.00 -0.56 0.78 0.00 -0.04 0.00 0.00 33.50 33.68 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 0.88 0.54 0.04 -1.96 0.73 116.94 117.17 1mnl h PHE 11 Ca 0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1mnl h PHE 11 Cb 0.00 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.16 1mnl h PHE 11 CO 0.00 0.00 -0.42 1.79 -0.60 0.00 0.00 178.31 179.08 1mnl h THR 12 N 0.00 0.09 0.00 -1.55 1.35 -1.92 0.32 112.91 111.21 1mnl h THR 12 Ca 0.89 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 66.68 1mnl h THR 12 Cb 3.68 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 70.20 1mnl h THR 12 CO -0.01 0.00 0.00 1.67 -0.25 0.00 0.00 175.52 176.93 1mnl n GLN 13 N -5.58 0.09 -0.00 4.72 7.27 0.24 -2.84 117.38 121.27 1mnl n GLN 13 Ca -0.15 0.40 -0.00 0.00 0.07 0.00 0.00 57.00 57.32 1mnl n GLN 13 Cb 0.47 -1.70 -0.00 0.00 2.41 0.00 0.00 30.24 31.42 1mnl n GLN 13 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 1mnl h ASN 14 N 0.00 0.00 -1.48 1.69 -0.26 -0.02 -3.02 115.58 112.50 1mnl h ASN 14 Ca 0.00 0.00 0.43 0.00 -0.56 0.00 0.00 56.30 56.17 1mnl h ASN 14 Cb 0.23 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.43 1mnl h ASN 14 CO 0.00 0.02 1.22 0.17 -1.06 0.00 0.00 177.43 177.79 1mnl h LEU 15 N -0.04 0.00 -0.03 1.61 8.10 -0.44 1.31 115.31 125.81 1mnl h LEU 15 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.90 1mnl h LEU 15 Cb 0.01 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.24 1mnl h LEU 15 CO 0.00 0.00 -0.35 1.23 -4.11 0.00 0.00 178.44 175.21 1mnl h GLY 16 N 0.00 0.32 0.98 0.17 0.00 -1.65 -1.39 103.07 101.50 1mnl h GLY 16 Ca 0.70 -0.51 -0.28 0.00 0.00 0.00 0.00 47.33 47.24 1mnl h GLY 16 CO -0.01 0.45 -1.26 1.70 0.00 0.00 0.00 176.54 177.42 1mnl h LYS 17 N -0.27 0.43 -0.40 4.80 3.11 0.13 -3.04 116.57 121.33 1mnl h LYS 17 Ca -0.04 -0.73 -0.07 0.00 -2.81 0.00 0.00 60.65 57.01 1mnl h LYS 17 Cb 1.05 0.27 -0.02 0.00 -1.00 0.00 0.00 32.23 32.53 1mnl h LYS 17 CO 0.07 1.35 -0.03 0.74 -2.81 0.00 0.00 179.45 178.77 1mnl h PHE 18 N -0.07 0.70 0.00 1.91 -1.00 0.10 -2.94 116.94 115.65 1mnl h PHE 18 Ca -0.23 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.46 1mnl h PHE 18 Cb 1.95 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 41.32 1mnl h PHE 18 CO 0.15 0.69 0.00 0.00 -1.61 0.00 0.00 178.31 177.54 1mnl n ALA 19 N -2.48 -0.29 -0.43 2.45 0.00 -0.52 0.59 120.51 119.83 1mnl n ALA 19 Ca 0.02 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.80 1mnl n ALA 19 Cb 0.30 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.29 1mnl n ALA 19 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1mnl n VAL 20 N -1.73 -0.10 0.00 0.00 3.14 -1.15 0.25 118.33 118.75 1mnl n VAL 20 Ca 0.00 1.21 0.00 0.00 -2.96 0.00 0.00 64.34 62.59 1mnl n VAL 20 Cb 0.00 -2.00 0.00 0.00 -1.06 0.00 0.00 33.84 30.78 1mnl n VAL 20 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1mnl n ASP 21 N -3.80 0.00 0.26 6.55 8.00 -1.11 -2.74 116.55 123.72 1mnl n ASP 21 Ca 0.31 0.10 0.18 0.00 0.71 0.00 0.00 54.79 56.09 1mnl n ASP 21 Cb 1.31 -0.30 0.92 0.00 -0.02 0.00 0.00 41.12 43.03 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 0.00 -1.24 4.39 0.56 1.10 114.58 119.39 1mnl h GLU 22 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 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 -0.03 1.49 -1.16 0.00 0.00 179.01 179.31 1mnl h GLU 23 N 0.00 0.00 -0.58 2.33 4.81 0.33 0.19 114.58 121.66 1mnl h GLU 23 Ca 0.05 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.38 1mnl h GLU 23 Cb 0.37 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.66 1mnl h GLU 23 CO -0.00 0.00 0.13 -0.91 -0.73 0.00 0.00 179.01 177.50 1mnl h ASN 24 N -0.66 0.01 -0.18 1.04 2.35 -1.29 0.32 115.58 117.16 1mnl h ASN 24 Ca 0.00 0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1mnl h ASN 24 Cb 0.03 0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 1mnl h ASN 24 CO 0.00 0.02 -0.09 0.50 -1.65 0.00 0.00 177.43 176.21 1mnl h LYS 25 N 0.26 -0.07 -0.48 0.81 3.64 0.11 0.54 116.57 121.39 1mnl h LYS 25 Ca 0.30 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.82 1mnl h LYS 25 Cb 0.44 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1mnl h LYS 25 CO -0.38 -0.05 0.60 0.82 -2.27 0.00 0.00 179.45 178.17 1mnl h ILE 26 N -0.07 0.25 0.00 2.00 1.08 0.27 -3.43 117.51 117.61 1mnl h ILE 26 Ca 0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.57 1mnl h ILE 26 Cb 0.22 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 34.48 1mnl h ILE 26 CO -0.23 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.84 1mnl n GLY 27 N -1.50 1.39 2.27 5.37 0.00 0.19 -5.05 105.19 107.85 1mnl n GLY 27 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.06 0.59 -0.70 1.61 -0.06 -0.23 -4.93 117.38 113.59 1mnl n GLN 28 Ca 0.00 -3.25 -0.06 0.00 -2.00 0.00 0.00 57.00 51.68 1mnl n GLN 28 Cb 0.00 -1.40 0.18 0.00 -4.06 0.00 0.00 30.24 24.96 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 1.89 1.71 -0.14 3.69 9.36 -1.26 -2.82 117.16 129.59 1mnl n TYR 29 Ca 0.24 -0.97 -0.04 0.00 3.32 0.00 0.00 57.90 60.46 1mnl n TYR 29 Cb 0.51 -0.55 -0.03 0.00 -0.63 0.00 0.00 39.34 38.63 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 -0.13 -2.76 0.00 2.98 0.00 -1.26 -4.87 105.19 99.15 1mnl n GLY 30 Ca 0.29 0.75 0.00 0.00 0.00 0.00 0.00 46.02 47.06 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 -3.72 0.00 -4.12 1.61 1.74 -1.26 -5.17 116.66 105.74 1mnl n ARG 31 Ca 0.01 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.00 1mnl n ARG 31 Cb 0.09 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.43 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 2.48 -0.62 0.55 0.05 -1.26 -4.97 118.68 114.91 1mnl s LEU 32 Ca 0.00 -0.97 0.04 0.00 0.05 0.00 0.00 54.13 53.25 1mnl s LEU 32 Cb 0.00 0.07 0.35 0.00 -2.05 0.00 0.00 46.19 44.56 1mnl s LEU 32 CO 0.00 -0.52 1.14 0.35 -0.55 0.00 0.00 176.35 176.77 1mnl n THR 33 N 0.13 3.38 -3.18 5.48 -2.24 -1.26 -3.68 114.28 112.90 1mnl n THR 33 Ca -0.14 -5.48 0.02 0.00 -2.27 0.00 0.00 64.05 56.18 1mnl n THR 33 Cb 0.61 -1.39 -0.02 0.00 -2.10 0.00 0.00 70.33 67.42 1mnl n THR 33 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1mnl s PHE 34 N -3.63 -1.48 0.00 4.78 5.36 -1.26 -4.25 117.98 117.50 1mnl s PHE 34 Ca 0.48 1.55 0.00 0.00 -0.96 0.00 0.00 56.93 57.99 1mnl s PHE 34 Cb 0.30 0.47 0.00 0.00 -0.34 0.00 0.00 43.02 43.44 1mnl s PHE 34 CO -0.16 -0.86 0.00 -1.71 -1.46 0.00 0.00 175.22 171.03 1mnl n ASN 35 N 5.42 0.00 0.00 6.13 4.05 -1.26 -4.29 115.26 125.31 1mnl n ASN 35 Ca -0.01 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.02 1mnl n ASN 35 Cb 0.51 0.28 0.00 0.00 1.23 0.00 0.00 39.78 41.80 1mnl n ASN 35 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1mnl n LYS 36 N -2.39 0.00 -3.46 1.20 4.01 -0.98 -4.90 118.16 111.64 1mnl n LYS 36 Ca 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.66 1mnl n LYS 36 Cb 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.49 1mnl n LYS 36 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1mnl s VAL 37 N 0.00 0.00 -0.08 -0.18 1.01 0.71 -4.92 120.40 116.95 1mnl s VAL 37 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1mnl s VAL 37 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1mnl s VAL 37 CO 0.00 0.00 0.02 -0.51 0.00 0.00 0.00 175.10 174.61 1mnl s ILE 38 N -2.89 4.45 0.35 2.22 -1.16 -1.26 -2.02 121.20 120.89 1mnl s ILE 38 Ca -0.02 -0.24 0.00 0.00 -0.51 0.00 0.00 60.65 59.88 1mnl s ILE 38 Cb -0.01 -2.90 0.00 0.00 0.61 0.00 0.00 42.46 40.16 1mnl s ILE 38 CO -0.06 0.57 0.00 0.54 -2.81 0.00 0.00 174.94 173.19 1mnl n ARG 39 N 2.00 0.00 -0.45 3.50 5.12 -1.26 -4.56 116.66 121.01 1mnl n ARG 39 Ca -0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 1mnl n ARG 39 Cb 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.84 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 -3.31 0.90 -3.55 5.56 -0.04 -1.21 -4.84 135.00 128.51 1mnl n PRO 40 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1mnl n PRO 40 Cb 0.00 -1.05 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.47 0.80 -0.17 0.00 -1.94 0.55 -2.96 119.30 113.10 1mnl s MET 42 Ca 0.41 -1.34 -0.11 0.00 -1.71 0.00 0.00 55.69 52.94 1mnl s MET 42 Cb -0.12 0.07 0.06 0.00 2.01 0.00 0.00 34.83 36.84 1mnl s MET 42 CO 0.22 -0.13 0.43 0.21 -0.01 0.00 0.00 175.02 175.73 1mnl s LYS 43 N -3.93 0.43 -0.13 2.03 2.36 0.38 -1.86 119.74 119.01 1mnl s LYS 43 Ca 0.15 0.78 -0.07 0.00 -2.55 0.00 0.00 55.97 54.27 1mnl s LYS 43 Cb 0.07 0.03 0.05 0.00 -1.05 0.00 0.00 37.83 36.93 1mnl s LYS 43 CO -0.04 -0.14 0.32 -1.59 1.55 0.00 0.00 175.35 175.45 1mnl s LYS 44 N 1.21 0.29 0.16 4.03 -2.85 -1.13 0.21 119.74 121.66 1mnl s LYS 44 Ca -0.08 0.64 0.06 0.00 -1.00 0.00 0.00 55.97 55.59 1mnl s LYS 44 Cb -0.07 -0.06 -0.04 0.00 -2.06 0.00 0.00 37.83 35.59 1mnl s LYS 44 CO -0.11 -0.15 0.06 0.99 0.10 0.00 0.00 175.35 176.24 1mnl s THR 45 N 1.26 4.11 -0.32 3.79 2.01 -0.56 -2.56 115.64 123.38 1mnl s THR 45 Ca -0.09 -1.21 0.07 0.00 0.31 0.00 0.00 61.69 60.78 1mnl s THR 45 Cb -0.09 -3.07 0.45 0.00 0.01 0.00 0.00 72.50 69.81 1mnl s THR 45 CO -0.10 -0.08 1.17 2.30 -0.69 0.00 0.00 174.62 177.23 1mnl n ILE 46 N -0.12 2.46 0.00 1.82 -5.35 -1.09 -1.29 119.36 115.79 1mnl n ILE 46 Ca -0.09 -4.31 0.00 0.00 -0.27 0.00 0.00 62.75 58.08 1mnl n ILE 46 Cb 0.54 -1.09 0.00 0.00 -1.74 0.00 0.00 39.64 37.36 1mnl n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mnl n TYR 47 N -0.66 0.00 0.00 4.28 4.11 -1.11 -3.13 117.16 120.64 1mnl n TYR 47 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.32 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 2.02 0.00 -3.48 0.28 -1.26 -4.10 120.64 114.09 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 -1.71 -0.16 0.00 0.00 177.13 175.26 1mnl n ASN 49 N 0.00 0.00 0.00 -1.84 5.15 -1.26 -4.36 115.26 112.95 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 -1.06 1.13 -0.23 1.20 2.13 -1.26 -4.98 120.64 117.57 1mnl n GLU 50 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 1mnl n GLU 50 Cb 0.00 -0.64 -0.00 0.00 0.27 0.00 0.00 31.44 31.07 1mnl n GLU 50 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1mnl n ARG 51 N -0.91 0.00 0.00 5.31 -4.01 -1.26 -5.15 116.66 110.64 1mnl n ARG 51 Ca 0.00 -0.01 0.00 0.00 -1.04 0.00 0.00 57.85 56.80 1mnl n ARG 51 Cb 0.14 0.01 0.00 0.00 -3.04 0.00 0.00 32.46 29.57 1mnl n ARG 51 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1mnl n GLU 52 N 0.00 3.71 -3.64 2.89 1.02 -1.26 -5.10 120.64 118.26 1mnl n GLU 52 Ca -0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1mnl n GLU 52 Cb 0.22 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.57 1mnl n GLU 52 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1mnl s ILE 53 N 2.83 0.00 0.00 -3.67 2.07 -1.26 -4.28 121.20 116.88 1mnl s ILE 53 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1mnl s ILE 53 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1mnl s ILE 53 CO 0.00 0.00 0.00 0.29 -1.91 0.00 0.00 174.94 173.32 1mnl n LYS 54 N 2.05 0.00 -0.42 3.50 5.02 -1.26 -2.99 118.16 124.07 1mnl n LYS 54 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1mnl n LYS 54 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 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 2.27 2.32 3.15 0.72 0.00 -1.18 0.30 105.19 112.77 1mnl n GLY 55 Ca 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.67 -1.60 0.01 1.61 5.04 0.52 -2.65 117.35 115.60 1mnl s TYR 56 Ca 0.00 1.51 0.07 0.00 -2.44 0.00 0.00 57.07 56.21 1mnl s TYR 56 Cb 0.00 0.49 -0.03 0.00 0.35 0.00 0.00 41.96 42.77 1mnl s TYR 56 CO 0.00 -0.89 -0.22 -1.83 -1.34 0.00 0.00 175.55 171.28 1mnl s GLU 57 N 2.86 2.08 0.23 4.97 -1.05 -1.06 -0.72 118.70 126.00 1mnl s GLU 57 Ca 0.18 -0.96 -0.05 0.00 -0.15 0.00 0.00 54.97 53.99 1mnl s GLU 57 Cb -0.14 -2.13 -0.03 0.00 -0.44 0.00 0.00 34.13 31.40 1mnl s GLU 57 CO -0.22 0.55 0.27 1.52 0.95 0.00 0.00 175.26 178.33 1mnl s TYR 58 N -0.79 0.90 -0.04 4.83 1.13 0.95 -2.84 117.35 121.49 1mnl s TYR 58 Ca 0.12 -1.16 0.01 0.00 -1.41 0.00 0.00 57.07 54.63 1mnl s TYR 58 Cb -0.10 -0.29 0.02 0.00 -1.10 0.00 0.00 41.96 40.49 1mnl s TYR 58 CO 0.02 -0.79 -0.03 1.14 -2.51 0.00 0.00 175.55 173.38 1mnl s GLN 59 N -4.04 0.71 -0.50 -3.49 -2.07 -0.78 -2.86 119.66 106.62 1mnl s GLN 59 Ca 0.33 -0.05 0.03 0.00 -1.82 0.00 0.00 55.36 53.85 1mnl s GLN 59 Cb 0.04 -0.78 0.15 0.00 -1.09 0.00 0.00 33.01 31.32 1mnl s GLN 59 CO 0.12 -0.11 0.32 -1.17 -1.32 0.00 0.00 175.29 173.13 1mnl s LEU 60 N 1.03 3.05 -0.48 2.60 2.96 -0.97 0.20 118.68 127.08 1mnl s LEU 60 Ca -0.09 -3.03 -0.29 0.00 -0.22 0.00 0.00 54.13 50.50 1mnl s LEU 60 Cb -0.14 -1.10 0.02 0.00 0.50 0.00 0.00 46.19 45.47 1mnl s LEU 60 CO -0.01 -0.20 1.29 -0.47 -1.32 0.00 0.00 176.35 175.64 1mnl s TYR 61 N -0.18 2.55 0.30 5.38 6.14 -1.12 -0.98 117.35 129.45 1mnl s TYR 61 Ca 0.22 0.63 -0.12 0.00 0.64 0.00 0.00 57.07 58.45 1mnl s TYR 61 Cb -0.14 -4.40 0.01 0.00 0.42 0.00 0.00 41.96 37.85 1mnl s TYR 61 CO -0.08 -1.68 0.57 0.54 0.64 0.00 0.00 175.55 175.54 1mnl s VAL 62 N 5.13 0.00 -0.08 3.14 0.11 0.72 -3.29 120.40 126.13 1mnl s VAL 62 Ca 0.53 -1.33 0.02 0.00 -2.93 0.00 0.00 61.98 58.27 1mnl s VAL 62 Cb -0.10 -2.42 0.02 0.00 -1.53 0.00 0.00 36.38 32.35 1mnl s VAL 62 CO 0.31 0.00 -0.11 -0.47 -3.33 0.00 0.00 175.10 171.49 1mnl s TYR 63 N -3.44 1.51 0.00 1.54 5.04 -0.86 -1.80 117.35 119.35 1mnl s TYR 63 Ca 0.22 -0.62 0.00 0.00 -2.44 0.00 0.00 57.07 54.22 1mnl s TYR 63 Cb -0.02 -1.14 0.00 0.00 0.35 0.00 0.00 41.96 41.15 1mnl s TYR 63 CO 0.12 -0.35 0.00 0.00 -1.34 0.00 0.00 175.55 173.98 1mnl n ALA 64 N 4.11 0.00 -0.09 3.97 0.00 -0.75 -0.21 120.51 127.55 1mnl n ALA 64 Ca -0.20 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.05 1mnl n ALA 64 Cb 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 1mnl n ALA 64 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mnl n SER 65 N 0.00 2.03 -1.29 0.00 7.64 -1.26 -3.10 113.62 117.63 1mnl n SER 65 Ca 0.00 -0.02 0.02 0.00 1.01 0.00 0.00 58.87 59.87 1mnl n SER 65 Cb 0.00 -0.56 0.10 0.00 -1.01 0.00 0.00 64.21 62.74 1mnl n SER 65 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1mnl n ASP 66 N -3.35 1.76 -3.42 6.43 2.03 -1.24 -4.94 116.55 113.81 1mnl n ASP 66 Ca -0.42 -2.99 -0.23 0.00 0.52 0.00 0.00 54.79 51.67 1mnl n ASP 66 Cb 1.00 -0.42 -0.10 0.00 -0.72 0.00 0.00 41.12 40.88 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 -2.10 0.52 -1.04 -0.67 2.36 -1.26 -5.02 119.74 112.53 1mnl s LYS 67 Ca 0.37 -0.94 -0.02 0.00 -2.55 0.00 0.00 55.97 52.83 1mnl s LYS 67 Cb 0.38 -0.99 0.32 0.00 -1.05 0.00 0.00 37.83 36.48 1mnl s LYS 67 CO -0.09 -1.17 1.68 1.28 1.55 0.00 0.00 175.35 178.60 1mnl n LEU 68 N 4.38 6.96 0.00 5.43 4.32 -1.26 -1.81 117.00 135.02 1mnl n LEU 68 Ca 0.08 -5.34 0.00 0.00 -0.02 0.00 0.00 56.01 50.74 1mnl n LEU 68 Cb 0.42 -1.19 0.00 0.00 -1.62 0.00 0.00 43.42 41.03 1mnl n LEU 68 CO 0.09 1.93 0.00 2.22 -1.22 0.00 0.00 177.39 180.42 1mnl n PHE 69 N 0.42 0.00 -4.50 -1.77 1.16 -0.74 -2.81 117.46 109.21 1mnl n PHE 69 Ca 0.39 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.76 1mnl n PHE 69 Cb 0.29 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.01 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 0.99 -0.32 3.97 3.52 -1.04 0.26 118.95 126.33 1mnl s ARG 70 Ca 0.00 -0.53 -0.08 0.00 -0.13 0.00 0.00 55.73 55.00 1mnl s ARG 70 Cb 0.00 -0.96 0.01 0.00 -1.56 0.00 0.00 34.95 32.44 1mnl s ARG 70 CO 0.00 0.26 0.12 0.00 -0.81 0.00 0.00 175.30 174.86 1mnl s ALA 71 N -0.44 3.13 0.53 6.12 0.00 -0.15 -2.82 121.76 128.13 1mnl s ALA 71 Ca 0.04 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.48 1mnl s ALA 71 Cb -0.06 -2.28 0.02 0.00 0.00 0.00 0.00 23.12 20.81 1mnl s ALA 71 CO -0.00 -1.06 0.75 0.34 0.00 0.00 0.00 175.76 175.78 1mnl s ASP 72 N 1.51 5.41 -0.29 0.00 2.15 -1.04 -2.30 116.67 122.10 1mnl s ASP 72 Ca 0.02 0.05 -0.07 0.00 0.43 0.00 0.00 52.55 52.98 1mnl s ASP 72 Cb -0.18 -1.02 0.14 0.00 -0.30 0.00 0.00 42.92 41.56 1mnl s ASP 72 CO 0.04 -1.04 0.61 -0.51 -0.17 0.00 0.00 175.17 174.10 1mnl s ILE 73 N -2.71 -0.95 -0.06 4.11 1.10 -1.14 -2.15 121.20 119.40 1mnl s ILE 73 Ca 0.55 0.01 0.03 0.00 -0.51 0.00 0.00 60.65 60.74 1mnl s ILE 73 Cb -0.10 -0.96 0.01 0.00 0.15 0.00 0.00 42.46 41.55 1mnl s ILE 73 CO 0.38 0.00 -0.15 -0.55 -2.11 0.00 0.00 174.94 172.51 1mnl s SER 74 N 2.85 2.07 -0.14 4.50 0.15 0.42 -0.04 113.70 123.51 1mnl s SER 74 Ca 0.02 -0.35 -0.09 0.00 0.70 0.00 0.00 55.95 56.23 1mnl s SER 74 Cb -0.13 -0.85 0.05 0.00 -1.71 0.00 0.00 66.02 63.38 1mnl s SER 74 CO -0.19 0.09 0.35 -1.61 1.20 0.00 0.00 173.24 173.08 1mnl s GLU 75 N 0.44 0.35 0.00 5.44 2.02 0.10 -1.93 118.70 125.11 1mnl s GLU 75 Ca -0.12 0.66 0.00 0.00 0.02 0.00 0.00 54.97 55.53 1mnl s GLU 75 Cb -0.15 -0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.08 1mnl s GLU 75 CO 0.04 -0.14 0.00 -0.25 0.02 0.00 0.00 175.26 174.93 1mnl n ASP 76 N 3.97 0.00 0.00 -0.19 9.92 -1.01 0.19 116.55 129.44 1mnl n ASP 76 Ca -0.22 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.04 1mnl n ASP 76 Cb 0.55 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.03 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 -0.11 -0.54 0.30 1.24 4.19 0.86 -4.26 117.16 118.83 1mnl n TYR 77 Ca 0.00 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 61.09 1mnl n TYR 77 Cb 0.00 0.11 -0.06 0.00 0.49 0.00 0.00 39.34 39.88 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 -0.76 -0.57 2.98 3.64 -1.38 -2.95 116.57 117.54 1mnl h LYS 78 Ca 0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1mnl h LYS 78 Cb 0.00 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1mnl h LYS 78 CO 0.00 -0.51 0.00 -2.37 -2.27 0.00 0.00 179.45 174.30 1mnl n THR 79 N -4.86 0.96 -4.10 1.00 5.66 -1.26 -4.88 114.28 106.81 1mnl n THR 79 Ca -0.10 -0.64 -0.33 0.00 -3.05 0.00 0.00 64.05 59.94 1mnl n THR 79 Cb 0.31 -0.01 -0.01 0.00 -1.55 0.00 0.00 70.33 69.07 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 0.54 -3.71 0.00 1.09 5.12 -1.11 -4.85 116.66 113.74 1mnl n ARG 80 Ca 0.14 0.43 0.00 0.00 -1.93 0.00 0.00 57.85 56.49 1mnl n ARG 80 Cb 0.53 -5.06 0.00 0.00 -1.16 0.00 0.00 32.46 26.77 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 -1.59 -2.45 0.00 -0.13 0.00 -1.26 -4.80 105.19 94.96 1mnl n GLY 81 Ca -0.02 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.92 0.00 -3.77 1.61 1.74 -1.26 -4.86 116.66 109.20 1mnl n ARG 82 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1mnl n ARG 82 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 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 0.78 0.35 -0.17 5.56 1.02 -1.26 -2.41 119.74 123.61 1mnl s LYS 83 Ca 0.00 0.42 -0.30 0.00 0.02 0.00 0.00 55.97 56.11 1mnl s LYS 83 Cb 0.00 0.17 0.14 0.00 -0.52 0.00 0.00 37.83 37.61 1mnl s LYS 83 CO 0.00 -0.04 1.06 -1.17 -0.92 0.00 0.00 175.35 174.28 1mnl s LEU 84 N 0.18 -0.30 0.32 3.17 1.98 -0.81 -4.97 118.68 118.25 1mnl s LEU 84 Ca -0.00 0.29 0.04 0.00 -2.89 0.00 0.00 54.13 51.57 1mnl s LEU 84 Cb -0.02 1.72 -0.03 0.00 0.66 0.00 0.00 46.19 48.51 1mnl s LEU 84 CO 0.00 -0.30 0.18 -1.48 -1.89 0.00 0.00 176.35 172.86 1mnl s LEU 85 N -1.25 1.72 0.35 -0.68 2.34 -1.26 -0.44 118.68 119.46 1mnl s LEU 85 Ca 0.01 -1.62 -0.02 0.00 0.06 0.00 0.00 54.13 52.57 1mnl s LEU 85 Cb -0.01 0.24 0.00 0.00 -0.56 0.00 0.00 46.19 45.87 1mnl s LEU 85 CO -0.01 -0.93 0.47 -0.13 -1.06 0.00 0.00 176.35 174.69 1mnl s ARG 86 N -3.73 1.92 -0.45 1.48 0.52 -0.91 -4.84 118.95 112.94 1mnl s ARG 86 Ca 0.35 -1.78 0.06 0.00 -0.52 0.00 0.00 55.73 53.85 1mnl s ARG 86 Cb 0.04 0.44 0.18 0.00 0.52 0.00 0.00 34.95 36.13 1mnl s ARG 86 CO 0.19 -0.80 0.60 -0.06 0.02 0.00 0.00 175.30 175.26 1mnl s PHE 87 N -3.03 -1.10 0.00 -0.53 0.40 -1.25 -2.51 117.98 109.95 1mnl s PHE 87 Ca 0.31 -0.61 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 1mnl s PHE 87 Cb -0.00 0.05 0.00 0.00 0.51 0.00 0.00 43.02 43.58 1mnl s PHE 87 CO 0.21 -1.15 0.00 0.09 0.70 0.00 0.00 175.22 175.07 1mnl n ASN 88 N 3.52 0.00 -3.11 1.36 4.13 -1.13 -4.95 115.26 115.09 1mnl n ASN 88 Ca 0.17 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.28 1mnl n ASN 88 Cb 0.54 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.85 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 -0.49 3.73 7.41 0.00 -1.26 -2.48 105.19 112.10 1mnl n GLY 89 Ca 0.00 0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.87 2.26 0.00 1.61 0.04 -1.26 -4.35 135.00 128.43 1mnl s PRO 90 Ca 0.14 1.64 0.16 0.00 0.04 0.00 0.00 61.00 62.97 1mnl s PRO 90 Cb -0.02 -1.86 0.95 0.00 0.04 0.00 0.00 34.50 33.61 1mnl s PRO 90 CO 0.65 -1.72 1.36 0.28 0.04 0.00 0.00 177.00 177.60