#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 2.45 0.10 1.61 0.41 -0.07 -5.00 118.70 118.20 1mnl s GLU 2 Ca 0.00 -0.83 0.01 0.00 -0.41 0.00 0.00 54.97 53.74 1mnl s GLU 2 Cb 0.00 -2.47 -0.04 0.00 -1.78 0.00 0.00 34.13 29.84 1mnl s GLU 2 CO 0.00 0.56 -0.04 1.67 -0.49 0.00 0.00 175.26 176.97 1mnl s TRP 3 N -1.14 0.83 0.06 1.61 1.48 -1.26 -0.48 118.94 120.04 1mnl s TRP 3 Ca 0.20 -1.00 -0.27 0.00 -1.06 0.00 0.00 56.10 53.97 1mnl s TRP 3 Cb -0.11 -0.50 0.10 0.00 -1.16 0.00 0.00 33.47 31.79 1mnl s TRP 3 CO 0.12 -0.25 1.17 -1.83 -4.06 0.00 0.00 176.95 172.10 1mnl s GLU 4 N -3.89 0.73 0.46 3.25 1.03 0.27 -4.95 118.70 115.61 1mnl s GLU 4 Ca 0.13 -0.43 0.05 0.00 0.03 0.00 0.00 54.97 54.75 1mnl s GLU 4 Cb 0.06 0.23 -0.04 0.00 -0.80 0.00 0.00 34.13 33.59 1mnl s GLU 4 CO -0.05 -0.34 0.08 -1.50 -1.33 0.00 0.00 175.26 172.13 1mnl s ILE 5 N -2.51 1.72 0.00 1.83 2.07 -1.26 0.12 121.20 123.16 1mnl s ILE 5 Ca 0.17 -1.88 0.00 0.00 -1.41 0.00 0.00 60.65 57.53 1mnl s ILE 5 Cb 0.01 -2.61 0.00 0.00 0.13 0.00 0.00 42.46 40.00 1mnl s ILE 5 CO -0.00 0.00 0.00 -0.38 -1.91 0.00 0.00 174.94 172.65 1mnl n ILE 6 N -1.21 0.00 -2.69 2.00 2.08 -1.17 -4.77 119.36 113.59 1mnl n ILE 6 Ca -0.09 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.15 1mnl n ILE 6 Cb 0.66 -0.14 0.04 0.00 -0.75 0.00 0.00 39.64 39.45 1mnl n ILE 6 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1mnl n ASP 7 N 0.00 1.29 -3.92 4.38 9.92 -1.26 -4.96 116.55 122.01 1mnl n ASP 7 Ca 0.00 -2.57 -0.30 0.00 -0.53 0.00 0.00 54.79 51.39 1mnl n ASP 7 Cb 0.00 -0.44 -0.05 0.00 -0.64 0.00 0.00 41.12 39.98 1mnl n ASP 7 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1mnl n ILE 8 N -0.20 -0.02 0.10 0.53 -5.35 -1.26 -4.62 119.36 108.55 1mnl n ILE 8 Ca 0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 1mnl n ILE 8 Cb 0.82 -0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 1mnl n ILE 8 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mnl n GLY 9 N -0.90 -0.21 0.02 3.28 0.00 -1.26 -4.82 105.19 101.31 1mnl n GLY 9 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 1mnl n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mnl h PRO 10 N 0.00 0.00 -1.20 1.61 0.13 -1.99 -3.14 132.00 127.42 1mnl h PRO 10 Ca 0.00 0.00 0.34 0.00 -0.87 0.00 0.00 66.00 65.47 1mnl h PRO 10 Cb 0.03 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.09 1mnl h PRO 10 CO 0.00 0.00 0.83 0.74 -0.23 0.00 0.00 178.00 179.34 1mnl h PHE 11 N -0.36 0.23 0.75 1.56 -1.00 -1.95 0.44 116.94 116.62 1mnl h PHE 11 Ca 0.00 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 1mnl h PHE 11 Cb 0.10 -0.07 0.01 0.00 3.61 0.00 0.00 35.95 39.60 1mnl h PHE 11 CO -0.04 -0.00 -0.36 1.79 -1.61 0.00 0.00 178.31 178.08 1mnl h THR 12 N 0.12 0.26 0.00 -1.55 1.35 -1.88 1.30 112.91 112.51 1mnl h THR 12 Ca 0.62 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.46 1mnl h THR 12 Cb 2.16 0.26 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1mnl h THR 12 CO -0.13 0.00 -0.07 1.56 -0.25 0.00 0.00 175.52 176.64 1mnl h GLN 13 N -1.01 0.00 0.00 4.72 7.50 -0.29 -2.66 115.11 123.37 1mnl h GLN 13 Ca -0.10 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.04 1mnl h GLN 13 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.31 1mnl h GLN 13 CO 0.17 0.07 -0.01 -0.91 -1.50 0.00 0.00 178.83 176.64 1mnl h ASN 14 N 0.00 0.01 -0.44 1.46 -0.26 0.52 -3.04 115.58 113.82 1mnl h ASN 14 Ca -0.00 -0.84 0.04 0.00 -0.56 0.00 0.00 56.30 54.94 1mnl h ASN 14 Cb 0.16 -0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.36 1mnl h ASN 14 CO 0.01 0.85 -0.36 0.25 -1.06 0.00 0.00 177.43 177.12 1mnl h LEU 15 N -0.83 -1.27 -0.92 1.61 7.12 0.20 1.36 115.31 122.58 1mnl h LEU 15 Ca -0.00 0.18 0.21 0.00 0.13 0.00 0.00 57.88 58.40 1mnl h LEU 15 Cb 0.85 0.54 -0.12 0.00 -0.53 0.00 0.00 40.66 41.41 1mnl h LEU 15 CO 0.00 -0.20 0.46 1.23 -0.13 0.00 0.00 178.44 179.81 1mnl h GLY 16 N -0.13 1.62 0.08 3.75 0.00 -1.66 1.55 103.07 108.28 1mnl h GLY 16 Ca 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1mnl h GLY 16 CO -0.48 -0.21 -0.04 1.70 0.00 0.00 0.00 176.54 177.51 1mnl h LYS 17 N 0.51 -0.11 -0.81 4.80 1.63 0.32 -2.70 116.57 120.20 1mnl h LYS 17 Ca 0.56 0.01 0.13 0.00 -0.85 0.00 0.00 60.65 60.50 1mnl h LYS 17 Cb 1.02 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.62 1mnl h LYS 17 CO -0.48 -0.07 0.53 0.74 -3.45 0.00 0.00 179.45 176.72 1mnl h PHE 18 N -0.18 0.71 0.00 1.91 0.04 0.17 -2.66 116.94 116.93 1mnl h PHE 18 Ca -0.01 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1mnl h PHE 18 Cb 0.09 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.01 1mnl h PHE 18 CO 0.11 0.29 0.00 0.00 -0.60 0.00 0.00 178.31 178.11 1mnl n ALA 19 N -2.46 -0.05 -0.37 2.45 0.00 0.53 0.60 120.51 121.21 1mnl n ALA 19 Ca 0.15 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.94 1mnl n ALA 19 Cb 0.43 0.02 0.54 0.00 0.00 0.00 0.00 19.45 20.44 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 -0.68 0.00 0.00 0.00 3.14 -1.02 0.22 118.33 119.99 1mnl n VAL 20 Ca 0.00 1.24 0.00 0.00 -2.96 0.00 0.00 64.34 62.62 1mnl n VAL 20 Cb 0.00 -2.16 0.00 0.00 -1.06 0.00 0.00 33.84 30.62 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 -3.35 0.00 -0.19 6.55 8.00 -0.97 -2.44 116.55 124.16 1mnl n ASP 21 Ca 0.29 0.15 0.02 0.00 0.71 0.00 0.00 54.79 55.96 1mnl n ASP 21 Cb 1.59 -0.23 0.28 0.00 -0.02 0.00 0.00 41.12 42.74 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 0.90 -0.05 -1.24 4.39 0.65 2.03 114.58 121.27 1mnl h GLU 22 Ca 0.00 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1mnl h GLU 22 Cb 0.00 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.44 1mnl h GLU 22 CO 0.00 0.60 0.02 1.49 -1.16 0.00 0.00 179.01 179.96 1mnl h GLU 23 N 0.93 0.07 -0.16 2.33 4.81 0.26 1.58 114.58 124.41 1mnl h GLU 23 Ca 0.27 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.41 1mnl h GLU 23 Cb -0.04 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 1mnl h GLU 23 CO -0.07 0.18 -0.22 -0.97 -0.73 0.00 0.00 179.01 177.19 1mnl h ASN 24 N -0.06 0.47 -0.89 1.04 -0.73 -1.03 0.30 115.58 114.68 1mnl h ASN 24 Ca 0.02 -0.52 0.04 0.00 1.87 0.00 0.00 56.30 57.71 1mnl h ASN 24 Cb 0.13 -0.13 -0.05 0.00 0.27 0.00 0.00 38.32 38.54 1mnl h ASN 24 CO -0.00 0.89 0.59 0.11 -0.37 0.00 0.00 177.43 178.65 1mnl h LYS 25 N 0.05 1.07 0.00 6.67 1.79 0.34 0.59 116.57 127.09 1mnl h LYS 25 Ca 0.02 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1mnl h LYS 25 Cb 0.79 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1mnl h LYS 25 CO 0.05 0.71 0.00 0.97 -1.08 0.00 0.00 179.45 180.10 1mnl h ILE 26 N 1.11 0.00 0.00 1.86 6.09 0.24 -3.46 117.51 123.35 1mnl h ILE 26 Ca 0.36 -0.33 0.00 0.00 -1.37 0.00 0.00 64.86 63.52 1mnl h ILE 26 Cb 0.04 1.15 0.00 0.00 0.47 0.00 0.00 36.82 38.48 1mnl h ILE 26 CO -0.11 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.58 1mnl n GLY 27 N 0.22 0.69 2.90 8.18 0.00 0.20 -5.06 105.19 112.32 1mnl n GLY 27 Ca 0.02 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.28 0.42 -0.34 1.61 2.00 0.10 -4.96 119.66 118.21 1mnl s GLN 28 Ca 0.00 -0.17 0.16 0.00 -2.00 0.00 0.00 55.36 53.35 1mnl s GLN 28 Cb 0.00 0.04 0.44 0.00 0.80 0.00 0.00 33.01 34.29 1mnl s GLN 28 CO 0.00 -0.59 0.99 2.48 -0.50 0.00 0.00 175.29 177.66 1mnl n TYR 29 N 3.80 0.54 -0.63 1.67 4.11 -1.26 -2.90 117.16 122.49 1mnl n TYR 29 Ca 0.08 -2.76 0.49 0.00 -0.00 0.00 0.00 57.90 55.71 1mnl n TYR 29 Cb 0.61 -0.10 0.75 0.00 -0.00 0.00 0.00 39.34 40.60 1mnl n TYR 29 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1mnl n GLY 30 N -0.09 -0.93 0.00 -7.48 0.00 -1.26 -4.61 105.19 90.81 1mnl n GLY 30 Ca 0.09 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 -3.77 0.00 -4.45 1.61 1.74 -1.26 -5.15 116.66 105.38 1mnl n ARG 31 Ca 0.41 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 57.25 1mnl n ARG 31 Cb 1.90 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 33.26 1mnl n ARG 31 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mnl s LEU 32 N 0.00 1.90 -0.36 0.55 1.02 -1.26 -5.03 118.68 115.50 1mnl s LEU 32 Ca 0.00 -1.67 0.14 0.00 0.02 0.00 0.00 54.13 52.62 1mnl s LEU 32 Cb 0.00 0.06 0.41 0.00 0.02 0.00 0.00 46.19 46.67 1mnl s LEU 32 CO 0.00 -0.95 1.00 0.41 0.02 0.00 0.00 176.35 176.84 1mnl n THR 33 N -0.81 0.43 0.00 5.49 -1.04 -1.26 -4.90 114.28 112.19 1mnl n THR 33 Ca -0.02 -2.92 0.00 0.00 -2.04 0.00 0.00 64.05 59.07 1mnl n THR 33 Cb 0.64 0.61 0.00 0.00 -1.82 0.00 0.00 70.33 69.77 1mnl n THR 33 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 1mnl n PHE 34 N -0.05 0.00 0.00 -1.42 1.16 -1.26 -4.24 117.46 111.65 1mnl n PHE 34 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.68 1mnl n PHE 34 Cb 0.78 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.65 1mnl n PHE 34 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 1mnl n ASN 35 N 0.00 0.00 0.00 5.98 5.15 -1.26 -4.67 115.26 120.46 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 0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 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 -2.38 0.00 -3.88 1.20 4.76 -1.13 -4.93 118.16 111.81 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 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 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 -0.31 -0.18 1.01 0.72 -4.95 120.40 116.70 1mnl s VAL 37 Ca 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.88 1mnl s VAL 37 Cb 0.00 -2.27 0.10 0.00 0.00 0.00 0.00 36.38 34.21 1mnl s VAL 37 CO 0.00 0.00 0.10 -0.51 0.00 0.00 0.00 175.10 174.69 1mnl s ILE 38 N -3.50 0.72 -0.13 2.22 2.07 -1.26 -1.43 121.20 119.89 1mnl s ILE 38 Ca 0.15 -1.30 -0.10 0.00 -1.41 0.00 0.00 60.65 57.99 1mnl s ILE 38 Cb -0.05 -1.56 -0.06 0.00 0.13 0.00 0.00 42.46 40.93 1mnl s ILE 38 CO 0.09 -0.69 -0.22 0.54 -1.91 0.00 0.00 174.94 172.75 1mnl n ARG 39 N 4.91 0.34 -1.24 3.50 1.74 -1.26 -4.19 116.66 120.45 1mnl n ARG 39 Ca -0.03 0.15 -0.20 0.00 -0.77 0.00 0.00 57.85 57.00 1mnl n ARG 39 Cb 0.42 -1.09 -0.11 0.00 -1.02 0.00 0.00 32.46 30.66 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 -3.90 2.24 -2.81 5.56 -0.04 -1.17 -4.72 135.00 130.16 1mnl n PRO 40 Ca -0.23 -1.67 -0.40 0.00 -0.04 0.00 0.00 63.50 61.16 1mnl n PRO 40 Cb 0.56 -2.09 -0.05 0.00 -0.04 0.00 0.00 33.50 31.88 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 -0.59 1.51 -0.16 0.00 -1.94 0.54 -3.04 119.30 115.63 1mnl s MET 42 Ca 0.42 -1.82 -0.14 0.00 -1.71 0.00 0.00 55.69 52.44 1mnl s MET 42 Cb -0.24 -0.60 0.04 0.00 2.01 0.00 0.00 34.83 36.05 1mnl s MET 42 CO 0.29 -0.21 0.43 0.21 -0.01 0.00 0.00 175.02 175.72 1mnl s LYS 43 N -3.94 0.49 0.13 2.03 2.36 0.32 -2.74 119.74 118.38 1mnl s LYS 43 Ca 0.36 0.62 0.00 0.00 -2.55 0.00 0.00 55.97 54.40 1mnl s LYS 43 Cb 0.08 0.21 -0.04 0.00 -1.05 0.00 0.00 37.83 37.03 1mnl s LYS 43 CO 0.14 -0.07 0.01 0.21 1.55 0.00 0.00 175.35 177.18 1mnl s LYS 44 N 0.39 0.91 -0.12 4.03 2.20 -1.15 0.97 119.74 126.97 1mnl s LYS 44 Ca -0.01 -1.42 -0.30 0.00 -0.36 0.00 0.00 55.97 53.88 1mnl s LYS 44 Cb -0.04 0.03 0.09 0.00 -1.51 0.00 0.00 37.83 36.40 1mnl s LYS 44 CO -0.01 -0.17 0.80 0.99 -0.36 0.00 0.00 175.35 176.61 1mnl s THR 45 N -3.86 0.00 -0.32 3.43 2.01 0.37 -1.63 115.64 115.64 1mnl s THR 45 Ca 0.20 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.26 1mnl s THR 45 Cb 0.07 -1.00 0.46 0.00 0.01 0.00 0.00 72.50 72.04 1mnl s THR 45 CO -0.00 0.00 1.23 2.30 -0.69 0.00 0.00 174.62 177.46 1mnl n ILE 46 N 1.06 2.58 -0.01 1.82 -5.35 -1.09 -0.89 119.36 117.48 1mnl n ILE 46 Ca -0.15 -4.20 0.00 0.00 -0.27 0.00 0.00 62.75 58.12 1mnl n ILE 46 Cb 0.57 -1.15 0.00 0.00 -1.74 0.00 0.00 39.64 37.32 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 -0.70 -0.26 0.00 4.28 4.11 -1.14 -2.52 117.16 120.93 1mnl n TYR 47 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.35 1mnl n TYR 47 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.27 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 -0.01 2.91 -0.01 -3.48 0.00 -1.26 -4.52 120.64 114.27 1mnl n GLU 48 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.14 1mnl n GLU 48 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.43 1mnl n GLU 48 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1mnl n ASN 49 N 0.00 3.54 -0.46 -1.84 4.13 -1.26 -4.94 115.26 114.42 1mnl n ASN 49 Ca 0.00 -0.01 -0.01 0.00 1.68 0.00 0.00 54.58 56.24 1mnl n ASN 49 Cb 0.00 -0.04 -0.01 0.00 -1.54 0.00 0.00 39.78 38.19 1mnl n ASN 49 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1mnl n GLU 50 N -2.60 0.00 0.00 3.52 1.02 -1.26 -5.00 120.64 116.31 1mnl n GLU 50 Ca -0.04 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1mnl n GLU 50 Cb 0.54 0.33 0.00 0.00 -0.02 0.00 0.00 31.44 32.29 1mnl n GLU 50 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1mnl n ARG 51 N 0.00 0.00 0.00 3.49 1.74 -1.26 -5.15 116.66 115.48 1mnl n ARG 51 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1mnl n ARG 51 Cb 0.29 -0.05 0.00 0.00 -1.02 0.00 0.00 32.46 31.67 1mnl n ARG 51 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1mnl n GLU 52 N -0.50 3.72 -3.71 5.56 1.02 -1.26 -5.07 120.64 120.40 1mnl n GLU 52 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1mnl n GLU 52 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 1mnl n GLU 52 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1mnl s ILE 53 N 1.99 -0.01 0.09 -3.67 -1.09 -1.26 -4.10 121.20 113.15 1mnl s ILE 53 Ca 0.00 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.46 1mnl s ILE 53 Cb 0.00 -0.61 0.00 0.00 -1.58 0.00 0.00 42.46 40.27 1mnl s ILE 53 CO 0.00 0.01 0.00 0.29 -1.23 0.00 0.00 174.94 174.01 1mnl n LYS 54 N 3.42 0.00 -4.19 2.79 4.01 -1.26 -3.15 118.16 119.78 1mnl n LYS 54 Ca -0.17 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.50 1mnl n LYS 54 Cb 0.56 -0.10 -0.09 0.00 -0.51 0.00 0.00 35.03 34.89 1mnl n LYS 54 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1mnl s GLY 55 N -4.00 1.46 -0.32 0.72 0.00 -1.05 0.46 107.32 104.60 1mnl s GLY 55 Ca 0.00 -1.67 0.05 0.00 0.00 0.00 0.00 44.72 43.10 1mnl s GLY 55 CO 0.00 -1.34 0.54 -0.47 0.00 0.00 0.00 173.10 171.83 1mnl s TYR 56 N -4.06 -1.55 0.48 1.90 6.14 -0.72 -2.67 117.35 116.87 1mnl s TYR 56 Ca 0.38 0.65 0.00 0.00 0.64 0.00 0.00 57.07 58.74 1mnl s TYR 56 Cb 0.06 0.16 0.00 0.00 0.42 0.00 0.00 41.96 42.60 1mnl s TYR 56 CO 0.13 -1.07 0.70 -1.83 0.64 0.00 0.00 175.55 174.12 1mnl s GLU 57 N 2.52 2.96 -0.01 4.97 1.03 -0.65 -1.08 118.70 128.43 1mnl s GLU 57 Ca 0.11 -0.52 0.01 0.00 0.03 0.00 0.00 54.97 54.61 1mnl s GLU 57 Cb -0.10 -2.53 0.01 0.00 -0.80 0.00 0.00 34.13 30.71 1mnl s GLU 57 CO -0.23 -0.38 -0.03 -0.47 -1.33 0.00 0.00 175.26 172.83 1mnl s TYR 58 N -2.62 0.36 -0.23 4.83 5.04 0.61 -2.94 117.35 122.40 1mnl s TYR 58 Ca 0.50 -0.06 -0.03 0.00 -2.44 0.00 0.00 57.07 55.05 1mnl s TYR 58 Cb -0.10 -0.29 0.07 0.00 0.35 0.00 0.00 41.96 41.99 1mnl s TYR 58 CO 0.38 -0.05 0.06 -0.65 -1.34 0.00 0.00 175.55 173.96 1mnl s GLN 59 N 0.25 0.56 -0.72 4.97 -0.21 -1.11 -2.24 119.66 121.16 1mnl s GLN 59 Ca -0.02 -0.54 0.05 0.00 0.02 0.00 0.00 55.36 54.86 1mnl s GLN 59 Cb -0.05 -1.95 0.17 0.00 1.00 0.00 0.00 33.01 32.18 1mnl s GLN 59 CO -0.00 -0.76 0.51 -1.17 -2.12 0.00 0.00 175.29 171.75 1mnl s LEU 60 N 1.86 4.89 -0.40 2.90 2.96 -1.12 0.20 118.68 129.97 1mnl s LEU 60 Ca 0.03 -3.86 -0.29 0.00 -0.22 0.00 0.00 54.13 49.79 1mnl s LEU 60 Cb -0.17 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.87 1mnl s LEU 60 CO -0.15 -0.09 1.44 -0.47 -1.32 0.00 0.00 176.35 175.76 1mnl s TYR 61 N -1.46 2.36 0.00 5.38 5.04 -0.91 -1.80 117.35 125.96 1mnl s TYR 61 Ca 0.25 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.55 1mnl s TYR 61 Cb -0.05 -4.27 0.00 0.00 0.35 0.00 0.00 41.96 37.99 1mnl s TYR 61 CO -0.16 -2.06 0.00 1.33 -1.34 0.00 0.00 175.55 173.31 1mnl n VAL 62 N 7.05 0.00 -3.80 3.14 0.24 0.83 -3.05 118.33 122.74 1mnl n VAL 62 Ca 0.17 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.33 1mnl n VAL 62 Cb 0.48 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.70 1mnl n VAL 62 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1mnl s TYR 63 N -2.68 -0.02 0.00 6.34 5.04 -0.51 -1.71 117.35 123.81 1mnl s TYR 63 Ca 0.00 0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.79 1mnl s TYR 63 Cb 0.00 -0.12 0.00 0.00 0.35 0.00 0.00 41.96 42.19 1mnl s TYR 63 CO 0.00 -0.07 0.00 0.00 -1.34 0.00 0.00 175.55 174.14 1mnl n ALA 64 N 3.74 0.00 0.22 3.97 0.00 -1.18 -0.20 120.51 127.07 1mnl n ALA 64 Ca -0.21 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.34 1mnl n ALA 64 Cb 0.54 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.88 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 0.34 -0.54 0.00 2.88 -1.26 -2.83 113.62 112.21 1mnl n SER 65 Ca 0.00 -0.11 -0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1mnl n SER 65 Cb 0.00 1.48 -0.00 0.00 -0.75 0.00 0.00 64.21 64.93 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 -2.18 -0.06 -3.94 -3.46 9.92 -1.26 -5.03 116.55 110.55 1mnl n ASP 66 Ca -0.02 -1.20 -0.29 0.00 -0.53 0.00 0.00 54.79 52.75 1mnl n ASP 66 Cb 0.52 -0.01 -0.11 0.00 -0.64 0.00 0.00 41.12 40.88 1mnl n ASP 66 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1mnl s LYS 67 N 0.00 2.55 -1.18 -1.24 2.20 -1.26 -4.96 119.74 115.85 1mnl s LYS 67 Ca 0.00 -3.28 -0.07 0.00 -0.36 0.00 0.00 55.97 52.26 1mnl s LYS 67 Cb 0.00 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 1mnl s LYS 67 CO -0.00 -1.27 2.82 1.28 -0.36 0.00 0.00 175.35 177.82 1mnl n LEU 68 N 2.11 7.81 0.00 5.43 4.77 -1.26 -3.09 117.00 132.77 1mnl n LEU 68 Ca 0.19 -4.37 0.00 0.00 -0.03 0.00 0.00 56.01 51.79 1mnl n LEU 68 Cb 0.35 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1mnl n LEU 68 CO 0.29 1.99 0.00 2.22 -1.33 0.00 0.00 177.39 180.56 1mnl n PHE 69 N 2.46 0.00 -4.46 -1.77 1.16 -0.69 -3.85 117.46 110.30 1mnl n PHE 69 Ca 0.65 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.97 1mnl n PHE 69 Cb 0.36 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.10 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 1.34 -0.38 3.97 3.52 0.22 0.29 118.95 127.90 1mnl s ARG 70 Ca 0.00 -1.16 -0.06 0.00 -0.13 0.00 0.00 55.73 54.38 1mnl s ARG 70 Cb 0.00 -1.63 0.07 0.00 -1.56 0.00 0.00 34.95 31.84 1mnl s ARG 70 CO 0.00 0.39 0.18 0.00 -0.81 0.00 0.00 175.30 175.06 1mnl s ALA 71 N -1.01 3.14 0.59 6.12 0.00 -0.74 -0.85 121.76 129.01 1mnl s ALA 71 Ca 0.09 -2.11 -0.07 0.00 0.00 0.00 0.00 51.96 49.87 1mnl s ALA 71 Cb -0.10 -2.42 -0.00 0.00 0.00 0.00 0.00 23.12 20.60 1mnl s ALA 71 CO 0.04 -1.58 0.92 -0.51 0.00 0.00 0.00 175.76 174.63 1mnl s ASP 72 N 1.80 5.72 -0.29 0.00 1.01 0.33 -2.79 116.67 122.45 1mnl s ASP 72 Ca 0.02 0.85 0.03 0.00 0.71 0.00 0.00 52.55 54.16 1mnl s ASP 72 Cb -0.22 -1.87 0.20 0.00 1.01 0.00 0.00 42.92 42.04 1mnl s ASP 72 CO 0.00 -1.01 0.60 -0.63 0.21 0.00 0.00 175.17 174.34 1mnl s ILE 73 N -3.01 -0.99 0.31 0.77 -1.09 -0.95 -1.02 121.20 115.21 1mnl s ILE 73 Ca 0.53 0.00 -0.02 0.00 -2.23 0.00 0.00 60.65 58.94 1mnl s ILE 73 Cb -0.11 -1.00 -0.04 0.00 -1.58 0.00 0.00 42.46 39.74 1mnl s ILE 73 CO 0.47 0.00 0.54 -0.55 -1.23 0.00 0.00 174.94 174.16 1mnl s SER 74 N 2.84 6.35 -0.33 3.58 0.15 0.07 -0.28 113.70 126.09 1mnl s SER 74 Ca 0.14 0.55 0.05 0.00 0.70 0.00 0.00 55.95 57.39 1mnl s SER 74 Cb -0.12 -2.07 0.19 0.00 -1.71 0.00 0.00 66.02 62.31 1mnl s SER 74 CO -0.24 -0.24 0.65 -1.61 1.20 0.00 0.00 173.24 173.00 1mnl s GLU 75 N -3.95 0.60 1.24 5.44 2.02 0.57 -2.84 118.70 121.78 1mnl s GLU 75 Ca 0.41 0.27 -0.17 0.00 0.02 0.00 0.00 54.97 55.50 1mnl s GLU 75 Cb -0.10 0.19 0.27 0.00 0.10 0.00 0.00 34.13 34.59 1mnl s GLU 75 CO 0.33 -1.01 0.68 -0.40 0.02 0.00 0.00 175.26 174.88 1mnl n ASP 76 N 5.06 -2.69 0.00 -0.19 5.75 -0.62 -1.75 116.55 122.11 1mnl n ASP 76 Ca 0.07 -0.38 0.00 0.00 -0.01 0.00 0.00 54.79 54.47 1mnl n ASP 76 Cb 0.55 -1.07 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 1mnl n ASP 76 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mnl n TYR 77 N -5.07 -1.52 -0.01 2.11 4.19 0.17 -4.67 117.16 112.37 1mnl n TYR 77 Ca 0.05 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.25 1mnl n TYR 77 Cb 0.56 0.34 -0.01 0.00 0.49 0.00 0.00 39.34 40.72 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 -2.03 2.65 -0.11 2.98 3.00 0.22 -4.58 118.16 120.28 1mnl n LYS 78 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 1mnl n LYS 78 Cb 0.00 -1.03 0.30 0.00 0.00 0.00 0.00 35.03 34.30 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 -2.19 0.30 -2.80 3.15 -2.24 -1.14 -4.92 114.28 104.43 1mnl n THR 79 Ca -0.02 -0.38 -0.10 0.00 -2.27 0.00 0.00 64.05 61.28 1mnl n THR 79 Cb 0.53 0.30 0.05 0.00 -2.10 0.00 0.00 70.33 69.11 1mnl n THR 79 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1mnl n ARG 80 N 0.36 -3.39 0.00 -0.78 5.12 -1.26 -5.01 116.66 111.70 1mnl n ARG 80 Ca 0.14 0.52 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 1mnl n ARG 80 Cb 0.31 -4.46 0.00 0.00 -1.16 0.00 0.00 32.46 27.14 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 -1.14 -1.94 3.59 -0.13 0.00 -1.26 -4.82 105.19 99.49 1mnl n GLY 81 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 0.51 -0.55 1.61 0.52 -1.26 -4.52 118.95 115.26 1mnl s ARG 82 Ca 0.00 0.18 -0.06 0.00 -0.52 0.00 0.00 55.73 55.33 1mnl s ARG 82 Cb 0.00 0.24 0.14 0.00 0.52 0.00 0.00 34.95 35.86 1mnl s ARG 82 CO 0.00 -0.15 0.39 0.15 0.02 0.00 0.00 175.30 175.71 1mnl s LYS 83 N -0.93 2.52 0.00 3.54 3.01 -1.26 0.21 119.74 126.84 1mnl s LYS 83 Ca 0.00 -2.12 0.00 0.00 -1.01 0.00 0.00 55.97 52.84 1mnl s LYS 83 Cb -0.01 -3.84 0.00 0.00 -1.01 0.00 0.00 37.83 32.97 1mnl s LYS 83 CO -0.01 -1.17 0.00 -0.11 0.51 0.00 0.00 175.35 174.57 1mnl n LEU 84 N 4.25 0.00 -3.73 3.17 7.94 -1.13 -4.97 117.00 122.52 1mnl n LEU 84 Ca 0.01 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.90 1mnl n LEU 84 Cb 0.41 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.35 1mnl n LEU 84 CO 0.37 0.00 0.90 -1.48 -1.11 0.00 0.00 177.39 176.07 1mnl s LEU 85 N 0.00 -0.09 0.29 -1.96 2.34 -1.26 -0.75 118.68 117.25 1mnl s LEU 85 Ca 0.00 -0.31 -0.01 0.00 0.06 0.00 0.00 54.13 53.86 1mnl s LEU 85 Cb 0.00 1.77 -0.02 0.00 -0.56 0.00 0.00 46.19 47.38 1mnl s LEU 85 CO 0.00 -0.62 0.35 -0.13 -1.06 0.00 0.00 176.35 174.89 1mnl s ARG 86 N -2.70 1.65 -0.45 1.48 0.52 -0.19 -4.85 118.95 114.41 1mnl s ARG 86 Ca 0.15 -1.72 0.07 0.00 -0.52 0.00 0.00 55.73 53.72 1mnl s ARG 86 Cb 0.01 0.38 0.25 0.00 0.52 0.00 0.00 34.95 36.11 1mnl s ARG 86 CO -0.00 -0.64 0.74 1.19 0.02 0.00 0.00 175.30 176.61 1mnl n PHE 87 N -0.48 -2.10 -1.86 -0.53 3.01 -1.24 -0.51 117.46 113.75 1mnl n PHE 87 Ca 0.02 -2.51 0.00 0.00 1.01 0.00 0.00 57.45 55.97 1mnl n PHE 87 Cb 0.63 0.77 0.00 0.00 -0.01 0.00 0.00 39.48 40.86 1mnl n PHE 87 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1mnl n ASN 88 N 1.52 0.00 -0.70 4.37 3.02 -0.03 -4.85 115.26 118.59 1mnl n ASN 88 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1mnl n ASN 88 Cb 0.59 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 1mnl n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mnl n GLY 89 N 0.00 0.59 3.77 7.41 0.00 -1.26 0.72 105.19 116.42 1mnl n GLY 89 Ca 0.00 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.23 4.12 0.00 1.61 0.04 -1.26 -4.23 135.00 133.06 1mnl s PRO 90 Ca 0.00 2.34 0.16 0.00 0.04 0.00 0.00 61.00 63.54 1mnl s PRO 90 Cb 0.00 -2.93 0.93 0.00 0.04 0.00 0.00 34.50 32.54 1mnl s PRO 90 CO 0.00 -0.43 1.34 1.33 0.04 0.00 0.00 177.00 179.28