#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nxd s GLN 2 N 0.00 3.28 -0.17 0.54 0.74 -1.26 -5.11 119.66 117.68 2nxd s GLN 2 Ca 0.00 -0.75 0.01 0.00 0.05 0.00 0.00 55.36 54.67 2nxd s GLN 2 Cb 0.00 -2.52 0.01 0.00 1.10 0.00 0.00 33.01 31.59 2nxd s GLN 2 CO 0.00 0.20 -0.18 0.42 -0.55 0.00 0.00 175.29 175.19 2nxd s ILE 3 N 0.34 2.35 0.67 -2.34 1.01 -1.26 -5.12 121.20 116.86 2nxd s ILE 3 Ca -0.14 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 2nxd s ILE 3 Cb -0.17 -1.99 0.08 0.00 0.01 0.00 0.00 42.46 40.39 2nxd s ILE 3 CO 0.07 0.52 0.94 0.42 0.00 0.00 0.00 174.94 176.89 2nxd s THR 4 N 1.04 2.37 -0.08 2.92 -4.23 -1.26 -5.05 115.64 111.34 2nxd s THR 4 Ca -0.01 -0.48 0.12 0.00 -1.18 0.00 0.00 61.69 60.14 2nxd s THR 4 Cb -0.14 -2.88 0.19 0.00 1.34 0.00 0.00 72.50 71.00 2nxd s THR 4 CO -0.05 0.00 1.09 0.18 -0.54 0.00 0.00 174.62 175.30 2nxd n LEU 5 N -2.73 2.18 0.09 4.79 4.77 -1.26 -4.51 117.00 120.32 2nxd n LEU 5 Ca 0.10 -2.67 0.08 0.00 -0.03 0.00 0.00 56.01 53.49 2nxd n LEU 5 Cb 0.60 -0.28 0.54 0.00 -2.33 0.00 0.00 43.42 41.95 2nxd n LEU 5 CO 0.47 0.63 1.13 -0.50 -1.33 0.00 0.00 177.39 177.79 2nxd h TRP 6 N 0.00 0.26 -1.89 -1.77 4.06 -2.06 -3.42 115.95 111.12 2nxd h TRP 6 Ca 0.00 0.01 -0.62 0.00 2.06 0.00 0.00 58.89 60.34 2nxd h TRP 6 Cb 0.84 -0.09 -0.13 0.00 -1.00 0.00 0.00 29.16 28.78 2nxd h TRP 6 CO 0.00 0.15 -0.67 0.15 -3.56 0.00 0.00 178.44 174.52 2nxd s LYS 7 N -5.27 1.84 0.26 0.49 3.01 -1.26 -5.11 119.74 113.70 2nxd s LYS 7 Ca -0.07 -1.96 -0.31 0.00 -1.01 0.00 0.00 55.97 52.62 2nxd s LYS 7 Cb 0.18 -1.70 -0.13 0.00 -1.01 0.00 0.00 37.83 35.17 2nxd s LYS 7 CO 0.71 0.11 1.50 0.54 0.51 0.00 0.00 175.35 178.72 2nxd n ARG 8 N -0.82 2.35 -1.47 1.68 1.74 -1.26 -4.87 116.66 114.01 2nxd n ARG 8 Ca -0.05 0.84 -0.41 0.00 -0.77 0.00 0.00 57.85 57.46 2nxd n ARG 8 Cb 0.64 -2.55 -0.02 0.00 -1.02 0.00 0.00 32.46 29.51 2nxd n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2nxd n PRO 9 N 2.13 2.51 -3.30 5.56 -0.04 -1.26 -4.92 135.00 135.68 2nxd n PRO 9 Ca 0.10 -2.28 -0.38 0.00 -0.04 0.00 0.00 63.50 60.90 2nxd n PRO 9 Cb 0.34 -3.09 -0.06 0.00 -0.04 0.00 0.00 33.50 30.65 2nxd n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2nxd s LEU 10 N 1.59 4.29 0.16 1.53 1.43 -1.26 -0.79 118.68 125.63 2nxd s LEU 10 Ca 0.52 0.86 0.03 0.00 -1.03 0.00 0.00 54.13 54.51 2nxd s LEU 10 Cb 0.14 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 2nxd s LEU 10 CO -0.03 0.01 -0.05 0.68 0.23 0.00 0.00 176.35 177.19 2nxd s VAL 11 N 0.55 0.95 -0.07 -1.59 -7.23 0.44 -4.92 120.40 108.53 2nxd s VAL 11 Ca 0.27 -2.02 -0.22 0.00 -1.81 0.00 0.00 61.98 58.20 2nxd s VAL 11 Cb -0.15 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 2nxd s VAL 11 CO 0.11 -0.62 0.65 -0.89 -0.31 0.00 0.00 175.10 174.04 2nxd s THR 12 N -3.47 5.05 0.22 5.32 2.01 -1.26 -0.49 115.64 123.02 2nxd s THR 12 Ca 0.20 1.33 0.10 0.00 0.31 0.00 0.00 61.69 63.63 2nxd s THR 12 Cb 0.04 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2nxd s THR 12 CO 0.02 0.29 -0.15 0.27 -0.69 0.00 0.00 174.62 174.36 2nxd s ILE 13 N 0.64 2.83 -0.15 1.82 -4.36 0.64 -2.60 121.20 120.02 2nxd s ILE 13 Ca 0.35 -1.96 0.02 0.00 -0.26 0.00 0.00 60.65 58.80 2nxd s ILE 13 Cb -0.17 -2.42 0.01 0.00 1.25 0.00 0.00 42.46 41.13 2nxd s ILE 13 CO 0.17 -0.21 -0.21 -0.60 0.24 0.00 0.00 174.94 174.32 2nxd s ARG 14 N -3.04 3.02 -0.05 0.37 3.52 0.14 -1.22 118.95 121.69 2nxd s ARG 14 Ca 0.26 -0.85 -0.02 0.00 -0.13 0.00 0.00 55.73 54.99 2nxd s ARG 14 Cb -0.07 -2.47 0.03 0.00 -1.56 0.00 0.00 34.95 30.88 2nxd s ARG 14 CO 0.14 -0.06 0.11 -1.50 -0.81 0.00 0.00 175.30 173.18 2nxd s ILE 15 N 0.93 -0.05 -1.36 4.11 2.07 -0.10 -1.48 121.20 125.33 2nxd s ILE 15 Ca -0.04 0.17 -0.08 0.00 -1.41 0.00 0.00 60.65 59.30 2nxd s ILE 15 Cb -0.15 -0.19 0.05 0.00 0.13 0.00 0.00 42.46 42.30 2nxd s ILE 15 CO -0.05 0.07 0.51 0.61 -1.91 0.00 0.00 174.94 174.18 2nxd n GLY 16 N 4.09 -0.50 3.01 1.50 0.00 -1.26 -0.18 105.19 111.85 2nxd n GLY 16 Ca -0.26 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2nxd n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxd n GLY 17 N -1.27 0.47 3.83 -0.02 0.00 -1.26 -5.00 105.19 101.94 2nxd n GLY 17 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2nxd n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nxd s GLN 18 N -0.58 3.70 -0.06 1.61 -1.52 0.74 -5.09 119.66 118.45 2nxd s GLN 18 Ca 0.00 -0.10 -0.15 0.00 -1.95 0.00 0.00 55.36 53.16 2nxd s GLN 18 Cb 0.00 -3.26 -0.05 0.00 -0.22 0.00 0.00 33.01 29.48 2nxd s GLN 18 CO 0.00 0.63 0.38 -0.51 -0.25 0.00 0.00 175.29 175.54 2nxd s LEU 19 N -0.62 4.38 0.05 2.90 1.43 -1.26 -0.92 118.68 124.65 2nxd s LEU 19 Ca 0.14 0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 54.01 2nxd s LEU 19 Cb -0.12 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 2nxd s LEU 19 CO 0.03 0.22 0.06 -0.54 0.23 0.00 0.00 176.35 176.35 2nxd s LYS 20 N -0.43 0.63 -0.15 1.70 1.02 -0.36 -4.99 119.74 117.17 2nxd s LYS 20 Ca 0.22 -0.96 -0.12 0.00 0.02 0.00 0.00 55.97 55.13 2nxd s LYS 20 Cb -0.15 0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.35 2nxd s LYS 20 CO 0.10 -0.15 0.25 -1.21 -0.92 0.00 0.00 175.35 173.42 2nxd s GLU 21 N -3.28 4.09 0.06 1.68 0.41 -1.26 -0.26 118.70 120.13 2nxd s GLU 21 Ca 0.01 0.03 0.02 0.00 -0.41 0.00 0.00 54.97 54.62 2nxd s GLU 21 Cb 0.03 -3.37 -0.03 0.00 -1.78 0.00 0.00 34.13 28.98 2nxd s GLU 21 CO -0.08 0.38 -0.07 0.00 -0.49 0.00 0.00 175.26 175.00 2nxd s ALA 22 N 0.07 0.64 -0.23 5.21 0.00 0.36 -4.45 121.76 123.35 2nxd s ALA 22 Ca 0.15 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 51.01 2nxd s ALA 22 Cb -0.13 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 2nxd s ALA 22 CO 0.04 -0.11 0.48 -1.17 0.00 0.00 0.00 175.76 175.00 2nxd s LEU 23 N -2.04 4.10 -0.38 0.00 2.96 0.74 -0.42 118.68 123.64 2nxd s LEU 23 Ca -0.04 0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 54.13 2nxd s LEU 23 Cb -0.05 -2.62 -0.00 0.00 0.50 0.00 0.00 46.19 44.02 2nxd s LEU 23 CO -0.02 -0.21 1.56 -0.76 -1.32 0.00 0.00 176.35 175.60 2nxd s LEU 24 N 1.91 3.55 -0.36 -0.68 1.43 0.03 -0.44 118.68 124.12 2nxd s LEU 24 Ca 0.21 1.00 0.02 0.00 -1.03 0.00 0.00 54.13 54.33 2nxd s LEU 24 Cb -0.15 -3.53 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2nxd s LEU 24 CO 0.09 -1.54 0.12 0.21 0.23 0.00 0.00 176.35 175.46 2nxd s ASN 25 N 4.75 4.27 0.07 2.29 3.04 -0.33 -4.78 114.94 124.24 2nxd s ASN 25 Ca 0.68 -2.11 0.15 0.00 0.04 0.00 0.00 52.86 51.62 2nxd s ASN 25 Cb -0.17 -1.24 0.66 0.00 -1.54 0.00 0.00 41.25 38.97 2nxd s ASN 25 CO 0.33 -0.36 1.48 0.35 -3.04 0.00 0.00 177.10 175.86 2nxd n THR 26 N 4.26 1.06 1.31 -5.21 -2.24 -1.26 -2.19 114.28 110.01 2nxd n THR 26 Ca 0.02 0.29 0.11 0.00 -2.27 0.00 0.00 64.05 62.21 2nxd n THR 26 Cb 0.40 -1.12 0.41 0.00 -2.10 0.00 0.00 70.33 67.93 2nxd n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nxd n GLY 27 N -0.20 0.17 3.34 3.38 0.00 -1.26 -4.84 105.19 105.78 2nxd n GLY 27 Ca 0.03 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 2nxd n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxd s ALA 28 N -1.84 2.45 0.10 4.61 0.00 -0.93 -5.00 121.76 121.16 2nxd s ALA 28 Ca 0.33 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 2nxd s ALA 28 Cb 0.18 -0.99 -0.18 0.00 0.00 0.00 0.00 23.12 22.13 2nxd s ALA 28 CO 0.28 0.34 1.23 -0.44 0.00 0.00 0.00 175.76 177.16 2nxd h ASP 29 N 6.37 0.49 -1.95 0.00 3.32 -1.88 -1.10 116.42 121.66 2nxd h ASP 29 Ca -0.29 -0.45 -0.61 0.00 0.02 0.00 0.00 57.03 55.71 2nxd h ASP 29 Cb 1.20 -0.15 -0.13 0.00 0.22 0.00 0.00 39.33 40.47 2nxd h ASP 29 CO 0.51 1.29 -0.64 -1.81 -1.72 0.00 0.00 179.24 176.87 2nxd s ASP 30 N -7.12 3.66 -0.22 6.45 1.01 -1.26 -2.54 116.67 116.64 2nxd s ASP 30 Ca -0.05 -1.28 -0.09 0.00 0.71 0.00 0.00 52.55 51.84 2nxd s ASP 30 Cb 0.08 -0.35 -0.04 0.00 1.01 0.00 0.00 42.92 43.62 2nxd s ASP 30 CO 0.88 -0.34 0.11 -0.89 0.21 0.00 0.00 175.17 175.14 2nxd s THR 31 N -2.72 5.00 -0.12 -1.27 2.01 -1.26 -3.44 115.64 113.85 2nxd s THR 31 Ca 0.34 0.05 -0.00 0.00 0.31 0.00 0.00 61.69 62.38 2nxd s THR 31 Cb 0.06 -3.31 0.03 0.00 0.01 0.00 0.00 72.50 69.29 2nxd s THR 31 CO 0.17 0.38 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.71 2nxd s VAL 32 N 0.93 1.05 0.10 3.82 1.01 -0.35 -0.90 120.40 126.06 2nxd s VAL 32 Ca 0.06 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.77 2nxd s VAL 32 Cb -0.13 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2nxd s VAL 32 CO 0.03 0.36 0.03 -0.76 0.00 0.00 0.00 175.10 174.76 2nxd s LEU 33 N 1.70 3.55 0.91 3.92 1.43 0.24 -0.27 118.68 130.16 2nxd s LEU 33 Ca 0.05 -0.16 -0.10 0.00 -1.03 0.00 0.00 54.13 52.89 2nxd s LEU 33 Cb -0.13 -2.25 0.14 0.00 0.03 0.00 0.00 46.19 43.98 2nxd s LEU 33 CO -0.08 0.16 1.15 -0.62 0.23 0.00 0.00 176.35 177.19 2nxd n GLU 34 N 0.39 -0.41 -1.64 1.70 1.02 -1.26 -1.89 120.64 118.55 2nxd n GLU 34 Ca -0.10 -0.05 -0.55 0.00 -0.02 0.00 0.00 57.16 56.44 2nxd n GLU 34 Cb 0.52 -2.39 -0.07 0.00 -0.02 0.00 0.00 31.44 29.49 2nxd n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2nxd n GLU 35 N -4.18 1.00 -3.70 3.49 4.07 -1.23 -4.66 120.64 115.43 2nxd n GLU 35 Ca 0.12 0.36 -0.09 0.00 -0.06 0.00 0.00 57.16 57.50 2nxd n GLU 35 Cb 0.52 -2.00 -0.02 0.00 -0.06 0.00 0.00 31.44 29.87 2nxd n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nxd s MET 36 N 1.69 1.58 -0.19 5.31 0.23 -1.26 -5.04 119.30 121.62 2nxd s MET 36 Ca 0.91 -0.81 -0.16 0.00 -1.03 0.00 0.00 55.69 54.61 2nxd s MET 36 Cb -1.05 0.59 -0.04 0.00 -1.53 0.00 0.00 34.83 32.80 2nxd s MET 36 CO 0.56 -0.71 0.39 -0.80 -2.03 0.00 0.00 175.02 172.43 2nxd s ASN 37 N -2.86 6.45 0.06 -1.18 -0.87 -1.26 -5.04 114.94 110.23 2nxd s ASN 37 Ca 0.08 0.53 0.06 0.00 -1.57 0.00 0.00 52.86 51.96 2nxd s ASN 37 Cb -0.04 -2.23 -0.03 0.00 -0.02 0.00 0.00 41.25 38.94 2nxd s ASN 37 CO -0.01 -0.05 -0.17 -0.76 -2.57 0.00 0.00 177.10 173.55 2nxd s LEU 38 N 1.16 2.21 0.00 0.60 1.43 -1.26 -5.07 118.68 117.74 2nxd s LEU 38 Ca 0.19 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2nxd s LEU 38 Cb -0.15 -0.74 0.17 0.00 0.03 0.00 0.00 46.19 45.50 2nxd s LEU 38 CO 0.08 0.06 1.01 -0.81 0.23 0.00 0.00 176.35 176.91 2nxd n PRO 39 N 1.66 -0.83 -0.24 1.29 -0.05 -1.26 -4.96 135.00 130.61 2nxd n PRO 39 Ca -0.18 -1.73 0.03 0.00 -0.05 0.00 0.00 63.50 61.56 2nxd n PRO 39 Cb 0.54 -0.98 -0.01 0.00 -0.05 0.00 0.00 33.50 33.00 2nxd n PRO 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2nxd n GLY 40 N -1.76 -1.68 3.75 0.55 0.00 -1.26 -4.91 105.19 99.88 2nxd n GLY 40 Ca 0.13 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 2nxd n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nxd s LYS 41 N -1.66 1.49 0.07 1.61 0.00 -1.26 -5.09 119.74 114.91 2nxd s LYS 41 Ca 0.00 0.70 -0.07 0.00 0.00 0.00 0.00 55.97 56.60 2nxd s LYS 41 Cb 0.00 -1.85 -0.01 0.00 0.00 0.00 0.00 37.83 35.98 2nxd s LYS 41 CO 0.00 -2.05 0.14 1.67 0.00 0.00 0.00 175.35 175.11 2nxd s TRP 42 N -3.04 0.22 -0.12 1.78 1.48 -1.26 -4.67 118.94 113.33 2nxd s TRP 42 Ca 0.63 -0.64 0.01 0.00 -1.06 0.00 0.00 56.10 55.04 2nxd s TRP 42 Cb -0.16 -0.13 -0.01 0.00 -1.16 0.00 0.00 33.47 32.01 2nxd s TRP 42 CO 0.56 -0.49 -0.16 0.15 -4.06 0.00 0.00 176.95 172.95 2nxd s LYS 43 N -3.65 3.28 0.46 3.25 -0.14 -0.45 -4.88 119.74 117.60 2nxd s LYS 43 Ca 0.04 -0.74 -0.25 0.00 -1.36 0.00 0.00 55.97 53.66 2nxd s LYS 43 Cb 0.04 -2.53 -0.08 0.00 -1.68 0.00 0.00 37.83 33.58 2nxd s LYS 43 CO -0.10 0.21 1.35 -2.30 -0.76 0.00 0.00 175.35 173.75 2nxd n PRO 44 N 3.51 2.00 -3.79 -1.68 -0.02 -1.26 -1.19 135.00 132.57 2nxd n PRO 44 Ca -0.18 0.72 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 2nxd n PRO 44 Cb 0.53 -2.52 -0.08 0.00 -0.02 0.00 0.00 33.50 31.41 2nxd n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2nxd s LYS 45 N -2.44 0.76 -0.07 -0.52 1.02 -0.66 -4.86 119.74 112.97 2nxd s LYS 45 Ca 0.63 -0.53 0.05 0.00 0.02 0.00 0.00 55.97 56.14 2nxd s LYS 45 Cb -0.46 0.32 -0.01 0.00 -0.52 0.00 0.00 37.83 37.15 2nxd s LYS 45 CO 0.56 -0.23 -0.22 -1.64 -0.92 0.00 0.00 175.35 172.90 2nxd s MET 46 N -2.48 2.68 0.22 1.68 -1.94 -1.26 -0.60 119.30 117.59 2nxd s MET 46 Ca -0.06 -0.85 0.05 0.00 -1.71 0.00 0.00 55.69 53.12 2nxd s MET 46 Cb -0.01 -2.26 -0.05 0.00 2.01 0.00 0.00 34.83 34.52 2nxd s MET 46 CO -0.03 0.38 -0.04 0.96 -0.01 0.00 0.00 175.02 176.27 2nxd s ILE 47 N -0.14 1.23 0.16 2.53 -4.36 -0.52 -4.96 121.20 115.13 2nxd s ILE 47 Ca -0.04 -2.07 0.07 0.00 -0.26 0.00 0.00 60.65 58.35 2nxd s ILE 47 Cb -0.14 -2.24 -0.04 0.00 1.25 0.00 0.00 42.46 41.29 2nxd s ILE 47 CO 0.04 -0.43 -0.14 -0.83 0.24 0.00 0.00 174.94 173.82 2nxd s GLY 48 N -3.30 1.22 0.00 6.27 0.00 -1.26 0.76 107.32 111.01 2nxd s GLY 48 Ca 0.26 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.51 2nxd s GLY 48 CO 0.07 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.24 2nxd n GLY 49 N 0.10 4.36 3.68 0.20 0.00 0.21 -4.96 105.19 108.77 2nxd n GLY 49 Ca -0.12 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 2nxd n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nxd s ILE 50 N -1.44 3.05 0.00 -0.61 1.01 -1.26 -2.01 121.20 119.95 2nxd s ILE 50 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.98 2nxd s ILE 50 Cb 0.00 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.26 2nxd s ILE 50 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.54 2nxd n GLY 51 N 4.22 0.77 0.00 6.18 0.00 -1.26 -5.00 105.19 110.10 2nxd n GLY 51 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2nxd n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxd n GLY 52 N -2.17 0.15 3.64 -0.02 0.00 -0.85 -5.01 105.19 100.93 2nxd n GLY 52 Ca 0.00 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 2nxd n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nxd s PHE 53 N 0.00 3.00 0.16 1.61 0.08 -1.26 0.63 117.98 122.21 2nxd s PHE 53 Ca 0.00 0.05 0.06 0.00 0.12 0.00 0.00 56.93 57.16 2nxd s PHE 53 Cb 0.00 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 2nxd s PHE 53 CO 0.00 0.41 -0.12 0.96 -0.10 0.00 0.00 175.22 176.37 2nxd s ILE 54 N -0.98 1.40 0.00 0.64 -4.36 0.23 -4.96 121.20 113.17 2nxd s ILE 54 Ca 0.17 -2.05 -0.21 0.00 -0.26 0.00 0.00 60.65 58.30 2nxd s ILE 54 Cb -0.11 -1.85 -0.05 0.00 1.25 0.00 0.00 42.46 41.69 2nxd s ILE 54 CO 0.07 -0.63 0.60 -1.59 0.24 0.00 0.00 174.94 173.63 2nxd s LYS 55 N -3.50 4.32 0.22 0.37 0.00 -1.26 -1.44 119.74 118.45 2nxd s LYS 55 Ca 0.17 0.75 -0.00 0.00 0.00 0.00 0.00 55.97 56.89 2nxd s LYS 55 Cb -0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 37.83 34.45 2nxd s LYS 55 CO 0.03 0.38 0.13 0.14 0.00 0.00 0.00 175.35 176.03 2nxd s VAL 56 N -0.25 0.13 -0.16 1.79 -7.23 0.23 -4.44 120.40 110.47 2nxd s VAL 56 Ca 0.31 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 2nxd s VAL 56 Cb -0.18 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 2nxd s VAL 56 CO 0.18 0.00 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.73 2nxd s ARG 57 N -4.10 3.39 -0.29 4.82 0.52 0.73 -1.66 118.95 122.35 2nxd s ARG 57 Ca 0.39 -0.66 -0.14 0.00 -0.52 0.00 0.00 55.73 54.80 2nxd s ARG 57 Cb 0.07 -2.75 -0.03 0.00 0.52 0.00 0.00 34.95 32.76 2nxd s ARG 57 CO 0.13 0.09 0.31 -1.14 0.02 0.00 0.00 175.30 174.71 2nxd s GLN 58 N 0.68 3.86 -0.15 3.54 0.74 -0.33 -0.75 119.66 127.25 2nxd s GLN 58 Ca -0.05 -0.21 -0.04 0.00 0.05 0.00 0.00 55.36 55.11 2nxd s GLN 58 Cb -0.15 -3.70 -0.03 0.00 1.10 0.00 0.00 33.01 30.23 2nxd s GLN 58 CO 0.02 -0.32 -0.02 0.71 -0.55 0.00 0.00 175.29 175.13 2nxd s TYR 59 N 1.95 3.07 0.08 1.67 1.51 -0.15 -1.34 117.35 124.14 2nxd s TYR 59 Ca 0.11 -0.19 -0.00 0.00 -1.01 0.00 0.00 57.07 55.98 2nxd s TYR 59 Cb -0.16 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 2nxd s TYR 59 CO 0.11 0.04 0.24 -0.51 -1.11 0.00 0.00 175.55 174.32 2nxd s ASP 60 N 0.23 6.37 -1.26 2.29 1.01 -1.26 -0.63 116.67 123.42 2nxd s ASP 60 Ca -0.01 0.29 -0.01 0.00 0.71 0.00 0.00 52.55 53.53 2nxd s ASP 60 Cb -0.14 -1.97 -0.00 0.00 1.01 0.00 0.00 42.92 41.82 2nxd s ASP 60 CO 0.02 0.14 0.81 0.00 0.21 0.00 0.00 175.17 176.35 2nxd n GLN 61 N 0.16 -5.22 -3.82 8.23 6.02 -1.02 -4.91 117.38 116.82 2nxd n GLN 61 Ca -0.05 0.70 -0.35 0.00 -0.01 0.00 0.00 57.00 57.29 2nxd n GLN 61 Cb 0.51 -5.39 -0.09 0.00 1.02 0.00 0.00 30.24 26.29 2nxd n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2nxd s ILE 62 N -3.56 5.12 0.07 5.09 -1.09 0.50 -4.72 121.20 122.61 2nxd s ILE 62 Ca 0.03 0.09 -0.30 0.00 -2.23 0.00 0.00 60.65 58.24 2nxd s ILE 62 Cb -0.01 -3.34 -0.05 0.00 -1.58 0.00 0.00 42.46 37.48 2nxd s ILE 62 CO 0.78 0.42 1.11 -2.84 -1.23 0.00 0.00 174.94 173.19 2nxd s PRO 63 N 0.58 4.51 -0.01 2.79 0.02 -1.26 -1.56 135.00 140.07 2nxd s PRO 63 Ca 0.06 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.74 2nxd s PRO 63 Cb -0.12 -3.36 0.01 0.00 0.02 0.00 0.00 34.50 31.04 2nxd s PRO 63 CO 0.01 -0.12 -0.00 0.42 -0.33 0.00 0.00 177.00 176.97 2nxd s ILE 64 N 0.75 0.09 -0.21 2.83 1.01 0.62 -4.56 121.20 121.73 2nxd s ILE 64 Ca 0.55 0.02 -0.08 0.00 0.00 0.00 0.00 60.65 61.13 2nxd s ILE 64 Cb -0.27 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 2nxd s ILE 64 CO 0.30 0.06 0.09 -1.61 0.00 0.00 0.00 174.94 173.78 2nxd s GLU 65 N 0.34 3.95 -0.22 2.79 2.02 -0.55 0.17 118.70 127.19 2nxd s GLU 65 Ca -0.03 -0.34 0.01 0.00 0.02 0.00 0.00 54.97 54.63 2nxd s GLU 65 Cb -0.05 -3.34 0.04 0.00 0.10 0.00 0.00 34.13 30.88 2nxd s GLU 65 CO -0.01 0.12 -0.14 0.42 0.02 0.00 0.00 175.26 175.68 2nxd s ILE 66 N 0.81 2.28 -1.71 -1.63 1.01 0.11 -0.68 121.20 121.39 2nxd s ILE 66 Ca 0.05 -1.20 -0.18 0.00 0.00 0.00 0.00 60.65 59.31 2nxd s ILE 66 Cb -0.13 -2.14 0.16 0.00 0.01 0.00 0.00 42.46 40.36 2nxd s ILE 66 CO 0.02 0.27 0.76 0.00 0.00 0.00 0.00 174.94 175.99 2nxd n GLY 68 N -1.40 2.57 3.75 0.00 0.00 -1.26 -5.02 105.19 103.83 2nxd n GLY 68 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2nxd n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nxd s HIS 69 N -2.30 3.63 -0.10 1.61 4.02 0.10 -5.02 115.29 117.24 2nxd s HIS 69 Ca 0.00 1.15 -0.20 0.00 1.02 0.00 0.00 55.06 57.04 2nxd s HIS 69 Cb 0.00 -2.63 -0.04 0.00 -1.02 0.00 0.00 32.58 28.88 2nxd s HIS 69 CO 0.00 0.27 0.55 0.15 1.02 0.00 0.00 174.74 176.73 2nxd s LYS 70 N 0.14 4.37 0.15 1.40 1.02 -1.26 0.10 119.74 125.65 2nxd s LYS 70 Ca 0.31 0.59 0.06 0.00 0.02 0.00 0.00 55.97 56.95 2nxd s LYS 70 Cb -0.18 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 2nxd s LYS 70 CO 0.16 0.13 -0.12 0.00 -0.92 0.00 0.00 175.35 174.60 2nxd s ALA 71 N 0.66 1.60 -0.14 5.17 0.00 0.13 -4.73 121.76 124.46 2nxd s ALA 71 Ca 0.30 -1.47 -0.04 0.00 0.00 0.00 0.00 51.96 50.74 2nxd s ALA 71 Cb -0.16 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 22.99 2nxd s ALA 71 CO 0.13 0.00 0.09 0.42 0.00 0.00 0.00 175.76 176.40 2nxd s ILE 72 N -2.87 -0.11 0.00 0.00 1.01 -1.26 -0.27 121.20 117.70 2nxd s ILE 72 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.82 2nxd s ILE 72 Cb -0.01 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 42.01 2nxd s ILE 72 CO 0.03 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.43 2nxd n GLY 73 N 5.29 1.93 3.74 6.18 0.00 -0.60 -4.77 105.19 116.95 2nxd n GLY 73 Ca -0.06 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 2nxd n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nxd s THR 74 N -1.95 4.84 -0.08 2.61 2.01 -1.26 -0.37 115.64 121.44 2nxd s THR 74 Ca 0.00 1.56 0.01 0.00 0.31 0.00 0.00 61.69 63.58 2nxd s THR 74 Cb 0.00 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.44 2nxd s THR 74 CO 0.00 0.33 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.47 2nxd s VAL 75 N 0.20 1.04 -0.05 3.82 1.01 0.20 -4.45 120.40 122.18 2nxd s VAL 75 Ca 0.38 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 2nxd s VAL 75 Cb -0.20 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2nxd s VAL 75 CO 0.21 0.34 0.08 -0.76 0.00 0.00 0.00 175.10 174.97 2nxd s LEU 76 N 0.98 3.94 -0.09 3.92 1.43 -0.08 -0.98 118.68 127.81 2nxd s LEU 76 Ca -0.09 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 2nxd s LEU 76 Cb -0.15 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.97 2nxd s LEU 76 CO 0.00 0.33 -0.14 -0.69 0.23 0.00 0.00 176.35 176.08 2nxd s VAL 77 N -1.08 1.33 -0.33 -1.59 1.01 0.07 -0.59 120.40 119.21 2nxd s VAL 77 Ca 0.19 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2nxd s VAL 77 Cb -0.12 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.04 2nxd s VAL 77 CO 0.09 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2nxd n GLY 78 N 4.04 -0.66 2.19 4.51 0.00 -0.79 -0.19 105.19 114.28 2nxd n GLY 78 Ca -0.20 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 2nxd n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nxd n PRO 79 N 0.00 2.40 -2.51 1.61 -0.04 -1.26 -3.56 135.00 131.63 2nxd n PRO 79 Ca 0.00 -1.35 -0.38 0.00 -0.04 0.00 0.00 63.50 61.73 2nxd n PRO 79 Cb 0.00 -2.26 -0.04 0.00 -0.04 0.00 0.00 33.50 31.16 2nxd n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2nxd s THR 80 N 1.74 3.61 0.52 0.52 -1.32 -1.26 -4.95 115.64 114.49 2nxd s THR 80 Ca 0.61 1.43 0.18 0.00 -1.21 0.00 0.00 61.69 62.69 2nxd s THR 80 Cb 0.23 -3.83 0.27 0.00 -1.51 0.00 0.00 72.50 67.66 2nxd s THR 80 CO -0.02 0.20 2.14 -0.65 -2.21 0.00 0.00 174.62 174.08 2nxd h PRO 81 N 3.19 0.00 -3.34 7.08 0.11 -1.97 -3.44 132.00 133.64 2nxd h PRO 81 Ca -0.47 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 2nxd h PRO 81 Cb 1.21 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.16 2nxd h PRO 81 CO 0.65 0.02 -0.24 0.54 -0.21 0.00 0.00 178.00 178.76 2nxd s VAL 82 N -4.95 0.09 0.20 3.15 0.11 -1.26 -5.09 120.40 112.65 2nxd s VAL 82 Ca -0.05 -0.70 -0.31 0.00 -2.93 0.00 0.00 61.98 57.99 2nxd s VAL 82 Cb 0.17 -0.99 -0.10 0.00 -1.53 0.00 0.00 36.38 33.92 2nxd s VAL 82 CO 0.66 -0.39 1.54 0.20 -3.33 0.00 0.00 175.10 173.78 2nxd s ASN 83 N -2.18 6.58 -0.12 3.54 0.01 -1.26 -4.68 114.94 116.82 2nxd s ASN 83 Ca -0.04 2.67 0.00 0.00 -0.71 0.00 0.00 52.86 54.79 2nxd s ASN 83 Cb -0.00 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.07 2nxd s ASN 83 CO -0.05 -0.80 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.00 2nxd s ILE 84 N 0.71 1.30 -0.35 0.60 1.01 0.63 -0.18 121.20 124.92 2nxd s ILE 84 Ca 0.66 -0.48 -0.19 0.00 0.00 0.00 0.00 60.65 60.65 2nxd s ILE 84 Cb -0.44 -1.25 -0.00 0.00 0.01 0.00 0.00 42.46 40.78 2nxd s ILE 84 CO 0.36 0.41 0.54 -0.63 0.00 0.00 0.00 174.94 175.62 2nxd s ILE 85 N 1.45 4.99 0.59 2.92 -1.09 0.42 -1.21 121.20 129.27 2nxd s ILE 85 Ca 0.02 0.42 0.07 0.00 -2.23 0.00 0.00 60.65 58.93 2nxd s ILE 85 Cb -0.13 -3.98 0.10 0.00 -1.58 0.00 0.00 42.46 36.87 2nxd s ILE 85 CO -0.07 -0.22 0.81 0.61 -1.23 0.00 0.00 174.94 174.84 2nxd n GLY 86 N 4.75 1.70 0.28 6.18 0.00 -1.22 -1.19 105.19 115.68 2nxd n GLY 86 Ca -0.04 -2.18 0.12 0.00 0.00 0.00 0.00 46.02 43.92 2nxd n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2nxd h ARG 87 N 0.00 0.00 -0.49 1.61 3.08 -1.17 -1.02 114.38 116.39 2nxd h ARG 87 Ca -0.27 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 2nxd h ARG 87 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 2nxd h ARG 87 CO 0.37 0.02 0.26 -2.95 -1.07 0.00 0.00 179.97 176.60 2nxd h ASN 88 N 0.00 0.59 0.06 7.04 -1.07 -1.77 -2.01 115.58 118.43 2nxd h ASN 88 Ca -0.00 -0.04 -0.31 0.00 0.07 0.00 0.00 56.30 56.02 2nxd h ASN 88 Cb 0.05 -0.15 -0.06 0.00 -2.07 0.00 0.00 38.32 36.09 2nxd h ASN 88 CO 0.00 0.48 -2.26 0.18 0.07 0.00 0.00 177.43 175.91 2nxd n LEU 89 N -4.41 0.09 -0.37 6.14 4.77 -0.66 -3.96 117.00 118.60 2nxd n LEU 89 Ca 0.04 0.04 0.01 0.00 -0.03 0.00 0.00 56.01 56.07 2nxd n LEU 89 Cb 0.10 0.40 0.15 0.00 -2.33 0.00 0.00 43.42 41.74 2nxd n LEU 89 CO 0.37 0.42 1.28 -0.07 -1.33 0.00 0.00 177.39 178.05 2nxd h LEU 90 N 0.00 1.08 -0.62 2.23 3.38 -1.10 -1.87 115.31 118.42 2nxd h LEU 90 Ca -0.45 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.40 2nxd h LEU 90 Cb 2.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 2nxd h LEU 90 CO 0.03 0.73 -0.09 0.71 0.09 0.00 0.00 178.44 179.91 2nxd h THR 91 N 1.25 1.27 -0.99 0.22 1.35 -1.55 -0.36 112.91 114.10 2nxd h THR 91 Ca 0.40 -1.24 0.01 0.00 -0.55 0.00 0.00 66.41 65.03 2nxd h THR 91 Cb 0.02 0.95 -0.05 0.00 -1.73 0.00 0.00 68.15 67.34 2nxd h THR 91 CO -0.13 0.44 0.65 1.56 -0.25 0.00 0.00 175.52 177.78 2nxd h GLN 92 N 0.89 1.31 -0.09 4.72 4.20 -1.49 -2.29 115.11 122.36 2nxd h GLN 92 Ca 0.14 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2nxd h GLN 92 Cb 0.64 -0.29 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2nxd h GLN 92 CO 0.04 0.87 0.00 0.44 -0.67 0.00 0.00 178.83 179.52 2nxd n ILE 93 N -4.38 0.12 -1.28 2.54 -5.35 -0.86 -4.91 119.36 105.23 2nxd n ILE 93 Ca 0.12 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 2nxd n ILE 93 Cb 0.02 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.02 2nxd n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nxd n GLY 94 N 0.99 0.58 3.72 3.28 0.00 -0.86 -5.01 105.19 107.88 2nxd n GLY 94 Ca 0.15 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 2nxd n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxd s THR 96 N 0.73 1.34 -0.10 0.00 -4.23 -1.26 -4.61 115.64 107.52 2nxd s THR 96 Ca 0.46 -2.08 -0.11 0.00 -1.18 0.00 0.00 61.69 58.78 2nxd s THR 96 Cb -0.20 -2.37 -0.05 0.00 1.34 0.00 0.00 72.50 71.22 2nxd s THR 96 CO 0.25 -0.33 0.25 -0.76 -0.54 0.00 0.00 174.62 173.48 2nxd s LEU 97 N -3.37 4.38 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.54 2nxd s LEU 97 Ca 0.28 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 2nxd s LEU 97 Cb 0.05 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 44.00 2nxd s LEU 97 CO 0.10 0.32 0.01 0.20 0.23 0.00 0.00 176.35 177.20 2nxd s ASN 98 N -0.69 0.16 0.00 2.29 0.01 -1.26 -5.30 114.94 110.14 2nxd s ASN 98 Ca 0.17 -0.00 0.00 0.00 -0.71 0.00 0.00 52.86 52.32 2nxd s ASN 98 Cb -0.14 -0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.45 2nxd s ASN 98 CO 0.06 -0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.82