#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pni s SER 1 N 0.00 6.58 0.57 1.61 0.15 -1.26 -4.89 113.70 116.45 2pni s SER 1 Ca 0.00 2.75 0.29 0.00 0.70 0.00 0.00 55.95 59.68 2pni s SER 1 Cb 0.00 -2.63 1.48 0.00 -1.71 0.00 0.00 66.02 63.16 2pni s SER 1 CO 0.00 -0.76 1.93 0.24 1.20 0.00 0.00 173.24 175.86 2pni h MET 1 N 4.95 0.00 -2.20 5.44 2.07 -2.09 -3.41 114.93 119.69 2pni h MET 1 Ca -0.46 0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 57.10 2pni h MET 1 Cb 1.22 0.00 -0.22 0.00 -1.87 0.00 0.00 31.60 30.73 2pni h MET 1 CO 0.78 0.00 0.03 -1.54 1.07 0.00 0.00 176.91 177.25 2pni s SER 2 N -5.56 -0.65 1.32 1.22 1.04 -1.26 -5.12 113.70 104.69 2pni s SER 2 Ca -0.05 1.23 -0.22 0.00 0.48 0.00 0.00 55.95 57.40 2pni s SER 2 Cb 0.18 1.24 0.33 0.00 0.10 0.00 0.00 66.02 67.87 2pni s SER 2 CO 0.63 -0.24 1.04 0.00 0.98 0.00 0.00 173.24 175.64 2pni s ALA 3 N 0.23 0.05 0.55 5.32 0.00 -1.26 -4.89 121.76 121.76 2pni s ALA 3 Ca -0.01 -0.97 0.29 0.00 0.00 0.00 0.00 51.96 51.27 2pni s ALA 3 Cb -0.04 -2.88 1.46 0.00 0.00 0.00 0.00 23.12 21.66 2pni s ALA 3 CO 0.01 -4.08 1.93 1.05 0.00 0.00 0.00 175.76 174.67 2pni h GLU 4 N -3.00 0.00 0.00 0.00 9.09 -1.99 -3.46 114.58 115.22 2pni h GLU 4 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.98 2pni h GLU 4 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 2pni h GLU 4 CO 0.29 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.76 2pni n GLY 5 N -1.62 2.92 3.95 1.06 0.00 -1.26 -4.37 105.19 105.88 2pni n GLY 5 Ca 0.12 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2pni n GLY 5 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pni s TYR 6 N 0.00 3.47 0.11 1.61 2.02 -1.26 -3.11 117.35 120.19 2pni s TYR 6 Ca 0.00 0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.88 2pni s TYR 6 Cb 0.00 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 2pni s TYR 6 CO 0.00 0.32 -0.08 -0.65 -1.57 0.00 0.00 175.55 173.57 2pni s GLN 7 N -4.01 0.89 -0.00 -0.62 -0.21 -0.81 -2.27 119.66 112.63 2pni s GLN 7 Ca 0.37 -1.32 0.01 0.00 0.02 0.00 0.00 55.36 54.43 2pni s GLN 7 Cb -0.09 -0.38 0.00 0.00 1.00 0.00 0.00 33.01 33.53 2pni s GLN 7 CO 0.32 0.03 -0.01 0.71 -2.12 0.00 0.00 175.29 174.21 2pni s TYR 8 N -3.27 0.17 -0.24 0.91 1.51 -0.98 -2.55 117.35 112.89 2pni s TYR 8 Ca 0.12 -0.02 -0.16 0.00 -1.01 0.00 0.00 57.07 56.00 2pni s TYR 8 Cb 0.03 -0.14 -0.04 0.00 -0.11 0.00 0.00 41.96 41.70 2pni s TYR 8 CO -0.02 -0.02 0.41 1.03 -1.11 0.00 0.00 175.55 175.84 2pni s ARG 9 N 0.10 4.08 -0.05 -0.62 0.52 -0.22 -1.94 118.95 120.83 2pni s ARG 9 Ca -0.01 0.16 -0.33 0.00 -0.52 0.00 0.00 55.73 55.04 2pni s ARG 9 Cb -0.02 -3.61 -0.11 0.00 0.52 0.00 0.00 34.95 31.73 2pni s ARG 9 CO -0.00 -0.21 1.92 0.00 0.02 0.00 0.00 175.30 177.03 2pni n ALA 10 N 5.07 1.14 0.12 2.13 0.00 -0.77 -0.40 120.51 127.80 2pni n ALA 10 Ca -0.07 0.25 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 2pni n ALA 10 Cb 0.51 -2.57 -0.05 0.00 0.00 0.00 0.00 19.45 17.33 2pni n ALA 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2pni h LEU 11 N 9.81 -0.32 -9.32 0.00 5.85 -1.56 -3.33 115.31 116.44 2pni h LEU 11 Ca -0.49 -0.13 -0.61 0.00 0.84 0.00 0.00 57.88 57.50 2pni h LEU 11 Cb 1.26 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 42.24 2pni h LEU 11 CO 0.95 0.17 -0.72 -0.31 -0.34 0.00 0.00 178.44 178.18 2pni s TYR 12 N -3.21 2.53 0.22 1.25 1.51 -1.23 -4.82 117.35 113.61 2pni s TYR 12 Ca -0.09 -0.26 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 2pni s TYR 12 Cb 0.01 -1.18 -0.09 0.00 -0.11 0.00 0.00 41.96 40.58 2pni s TYR 12 CO 0.31 0.58 1.40 0.34 -1.11 0.00 0.00 175.55 177.07 2pni s ASP 13 N -3.17 6.74 -0.06 2.29 2.15 -1.26 -4.67 116.67 118.69 2pni s ASP 13 Ca 0.27 2.56 0.01 0.00 0.43 0.00 0.00 52.55 55.82 2pni s ASP 13 Cb -0.07 -2.62 0.02 0.00 -0.30 0.00 0.00 42.92 39.95 2pni s ASP 13 CO 0.16 -0.65 -0.06 -0.47 -0.17 0.00 0.00 175.17 173.98 2pni s TYR 14 N 0.15 0.97 0.59 -5.34 5.04 -0.83 -4.96 117.35 112.97 2pni s TYR 14 Ca 0.59 -0.32 -0.03 0.00 -2.44 0.00 0.00 57.07 54.88 2pni s TYR 14 Cb -0.40 -0.81 0.03 0.00 0.35 0.00 0.00 41.96 41.13 2pni s TYR 14 CO 0.40 -0.24 0.86 0.21 -1.34 0.00 0.00 175.55 175.44 2pni s LYS 15 N 0.97 2.58 0.18 4.97 2.20 -1.26 -0.92 119.74 128.46 2pni s LYS 15 Ca -0.10 -0.44 -0.15 0.00 -0.36 0.00 0.00 55.97 54.93 2pni s LYS 15 Cb -0.14 -2.36 -0.07 0.00 -1.51 0.00 0.00 37.83 33.74 2pni s LYS 15 CO 0.00 -0.81 0.59 -1.59 -0.36 0.00 0.00 175.35 173.18 2pni s LYS 16 N -4.92 4.00 0.00 4.03 -2.85 -1.24 -4.81 119.74 113.95 2pni s LYS 16 Ca 0.56 0.54 0.00 0.00 -1.00 0.00 0.00 55.97 56.07 2pni s LYS 16 Cb -0.10 -2.85 0.00 0.00 -2.06 0.00 0.00 37.83 32.82 2pni s LYS 16 CO 0.41 0.42 0.27 -1.91 0.10 0.00 0.00 175.35 174.65 2pni n GLU 17 N 0.57 1.62 -3.87 1.78 0.00 -1.26 -5.04 120.64 114.44 2pni n GLU 17 Ca -0.03 -0.27 -0.11 0.00 0.00 0.00 0.00 57.16 56.74 2pni n GLU 17 Cb 0.52 -0.75 -0.11 0.00 0.00 0.00 0.00 31.44 31.10 2pni n GLU 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2pni s ARG 18 N -0.31 0.29 0.34 5.31 6.06 -1.26 -5.01 118.95 124.37 2pni s ARG 18 Ca 0.00 -0.15 0.18 0.00 -2.50 0.00 0.00 55.73 53.26 2pni s ARG 18 Cb 0.00 0.12 0.97 0.00 0.06 0.00 0.00 34.95 36.11 2pni s ARG 18 CO 0.00 -0.06 1.49 1.05 -2.50 0.00 0.00 175.30 175.29 2pni h GLU 19 N 5.15 0.00 -0.03 5.12 9.09 -2.01 -1.56 114.58 130.34 2pni h GLU 19 Ca -0.28 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.04 2pni h GLU 19 Cb 1.20 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.31 2pni h GLU 19 CO 0.42 0.00 -0.32 1.49 0.05 0.00 0.00 179.01 180.65 2pni h GLU 20 N 0.00 0.27 -6.72 1.06 4.81 -1.98 -3.46 114.58 108.56 2pni h GLU 20 Ca 0.00 -0.25 -0.50 0.00 -0.13 0.00 0.00 59.36 58.48 2pni h GLU 20 Cb 0.34 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2pni h GLU 20 CO 0.00 0.93 0.06 -0.51 -0.73 0.00 0.00 179.01 178.76 2pni s ASP 21 N -6.39 6.62 0.04 1.04 1.11 -0.59 -3.78 116.67 114.72 2pni s ASP 21 Ca -0.15 1.13 0.00 0.00 0.18 0.00 0.00 52.55 53.71 2pni s ASP 21 Cb 0.02 -2.31 0.00 0.00 1.07 0.00 0.00 42.92 41.70 2pni s ASP 21 CO 0.76 -0.27 0.02 -0.38 1.18 0.00 0.00 175.17 176.49 2pni n ILE 22 N -0.76 0.00 -3.21 0.77 5.41 -1.26 -4.70 119.36 115.61 2pni n ILE 22 Ca 0.02 -0.05 -0.44 0.00 1.00 0.00 0.00 62.75 63.29 2pni n ILE 22 Cb 0.53 -1.01 -0.07 0.00 -0.71 0.00 0.00 39.64 38.39 2pni n ILE 22 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2pni s ASP 23 N -1.10 6.22 0.14 4.38 1.01 -1.26 -3.62 116.67 122.44 2pni s ASP 23 Ca 0.02 -0.90 -0.17 0.00 0.71 0.00 0.00 52.55 52.20 2pni s ASP 23 Cb -0.00 -2.27 -0.07 0.00 1.01 0.00 0.00 42.92 41.59 2pni s ASP 23 CO 0.01 -0.81 0.59 -0.76 0.21 0.00 0.00 175.17 174.41 2pni s LEU 24 N 2.44 4.41 0.00 1.23 2.01 -0.10 -5.01 118.68 123.66 2pni s LEU 24 Ca 0.14 1.21 0.02 0.00 0.01 0.00 0.00 54.13 55.51 2pni s LEU 24 Cb -0.19 -3.20 -0.01 0.00 0.01 0.00 0.00 46.19 42.80 2pni s LEU 24 CO 0.12 0.15 0.07 1.41 1.01 0.00 0.00 176.35 179.11 2pni n HIS 25 N 1.10 -0.12 -2.64 0.29 8.25 -1.26 -1.96 115.22 118.89 2pni n HIS 25 Ca -0.06 -0.90 -0.33 0.00 -0.26 0.00 0.00 57.72 56.16 2pni n HIS 25 Cb 0.51 0.05 -0.05 0.00 1.12 0.00 0.00 29.99 31.62 2pni n HIS 25 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2pni s LEU 26 N 0.00 3.84 0.00 2.41 1.43 -1.26 -3.61 118.68 121.49 2pni s LEU 26 Ca 0.10 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.95 2pni s LEU 26 Cb 0.00 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.68 2pni s LEU 26 CO 0.07 -0.56 0.00 0.61 0.23 0.00 0.00 176.35 176.70 2pni n GLY 27 N -0.69 0.34 3.64 -3.19 0.00 -1.25 -4.92 105.19 99.13 2pni n GLY 27 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2pni n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pni s ASP 28 N -2.27 6.39 -0.12 1.61 2.15 -1.24 -4.83 116.67 118.36 2pni s ASP 28 Ca 0.00 1.92 -0.06 0.00 0.43 0.00 0.00 52.55 54.84 2pni s ASP 28 Cb 0.00 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 40.05 2pni s ASP 28 CO 0.00 -1.20 0.09 -0.63 -0.17 0.00 0.00 175.17 173.26 2pni s ILE 29 N 5.05 5.10 0.31 4.11 1.01 -1.26 -1.84 121.20 133.68 2pni s ILE 29 Ca 0.76 0.06 0.10 0.00 0.00 0.00 0.00 60.65 61.57 2pni s ILE 29 Cb -0.30 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 2pni s ILE 29 CO 0.31 0.60 -0.09 -0.76 0.00 0.00 0.00 174.94 175.00 2pni s LEU 30 N -0.86 2.83 0.04 2.97 1.02 -0.82 -4.29 118.68 119.57 2pni s LEU 30 Ca 0.14 -0.98 0.03 0.00 0.02 0.00 0.00 54.13 53.33 2pni s LEU 30 Cb -0.12 -1.26 -0.02 0.00 0.02 0.00 0.00 46.19 44.81 2pni s LEU 30 CO 0.03 -0.08 -0.09 -0.89 0.02 0.00 0.00 176.35 175.34 2pni s THR 31 N -2.50 0.63 0.00 5.49 2.01 -0.81 -2.32 115.64 118.15 2pni s THR 31 Ca 0.32 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.39 2pni s THR 31 Cb -0.03 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.84 2pni s THR 31 CO 0.17 -0.23 0.00 0.52 -0.69 0.00 0.00 174.62 174.39 2pni n VAL 32 N 1.77 0.00 -3.82 3.82 0.31 -0.96 -1.61 118.33 117.83 2pni n VAL 32 Ca -0.20 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.76 2pni n VAL 32 Cb 0.55 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.42 2pni n VAL 32 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2pni s ASN 33 N -0.85 6.34 -0.24 4.52 0.01 -1.26 -4.34 114.94 119.12 2pni s ASN 33 Ca 0.00 0.40 0.04 0.00 -0.71 0.00 0.00 52.86 52.59 2pni s ASN 33 Cb 0.00 -2.08 -0.17 0.00 0.41 0.00 0.00 41.25 39.41 2pni s ASN 33 CO 0.00 0.33 -0.19 2.29 -1.51 0.00 0.00 177.10 178.03 2pni n LYS 34 N 2.49 0.65 0.00 -0.60 -0.00 -1.26 -2.76 118.16 116.68 2pni n LYS 34 Ca -0.19 0.12 0.14 0.00 -0.00 0.00 0.00 58.31 58.39 2pni n LYS 34 Cb 0.54 -1.49 0.59 0.00 -0.00 0.00 0.00 35.03 34.67 2pni n LYS 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pni n GLY 35 N 2.26 -1.05 2.45 2.58 0.00 -1.26 -4.13 105.19 106.05 2pni n GLY 35 Ca -0.42 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.32 2pni n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pni n SER 36 N -1.07 -1.18 0.04 1.61 7.64 -1.26 -4.92 113.62 114.47 2pni n SER 36 Ca 0.13 -2.18 0.14 0.00 1.01 0.00 0.00 58.87 57.97 2pni n SER 36 Cb 0.29 0.55 0.61 0.00 -1.01 0.00 0.00 64.21 64.65 2pni n SER 36 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 2pni h LEU 37 N 0.98 0.12 0.00 -3.43 8.10 -1.67 -1.19 115.31 118.22 2pni h LEU 37 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.55 2pni h LEU 37 Cb 1.32 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.51 2pni h LEU 37 CO -0.18 0.08 0.22 0.52 -4.11 0.00 0.00 178.44 174.97 2pni n VAL 38 N -4.45 0.92 -0.33 0.15 0.31 -1.26 -2.94 118.33 110.72 2pni n VAL 38 Ca 0.06 0.45 0.29 0.00 -0.01 0.00 0.00 64.34 65.13 2pni n VAL 38 Cb 0.39 -1.45 0.51 0.00 -0.91 0.00 0.00 33.84 32.38 2pni n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pni n ALA 39 N -1.20 0.98 -0.03 3.52 0.00 -0.45 0.42 120.51 123.75 2pni n ALA 39 Ca 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 53.44 54.14 2pni n ALA 39 Cb 0.22 -0.81 -0.14 0.00 0.00 0.00 0.00 19.45 18.72 2pni n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pni n LEU 40 N -4.39 0.31 0.00 0.00 4.32 -1.15 -4.97 117.00 111.12 2pni n LEU 40 Ca 0.31 0.14 0.00 0.00 -0.02 0.00 0.00 56.01 56.44 2pni n LEU 40 Cb 1.15 0.22 0.00 0.00 -1.62 0.00 0.00 43.42 43.18 2pni n LEU 40 CO 0.10 0.25 0.00 0.61 -1.22 0.00 0.00 177.39 177.13 2pni n GLY 41 N 1.50 1.43 3.62 -0.72 0.00 0.17 -5.12 105.19 106.07 2pni n GLY 41 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2pni n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pni s PHE 42 N -2.00 1.24 0.00 1.61 0.40 -1.26 -5.02 117.98 112.96 2pni s PHE 42 Ca 0.00 0.74 0.00 0.00 -0.60 0.00 0.00 56.93 57.07 2pni s PHE 42 Cb 0.00 -3.34 0.00 0.00 0.51 0.00 0.00 43.02 40.19 2pni s PHE 42 CO 0.00 -3.48 0.00 0.43 0.70 0.00 0.00 175.22 172.87 2pni n SER 43 N -4.53 0.00 -4.57 1.36 7.64 -1.26 -4.68 113.62 107.58 2pni n SER 43 Ca 0.09 -0.61 -0.24 0.00 1.01 0.00 0.00 58.87 59.12 2pni n SER 43 Cb 0.58 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.72 2pni n SER 43 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2pni s ASP 44 N -0.20 4.72 0.00 6.43 -1.08 -1.26 -4.70 116.67 120.58 2pni s ASP 44 Ca 0.00 -0.90 0.00 0.00 -0.52 0.00 0.00 52.55 51.13 2pni s ASP 44 Cb 0.00 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 2pni s ASP 44 CO 0.00 -3.25 0.00 0.61 0.52 0.00 0.00 175.17 173.05 2pni n GLY 45 N 6.46 1.63 3.01 2.66 0.00 -1.26 -5.12 105.19 112.57 2pni n GLY 45 Ca 0.43 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.39 2pni n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pni s GLN 46 N 2.33 0.86 0.56 1.61 -0.21 -1.26 -4.98 119.66 118.56 2pni s GLN 46 Ca 0.00 -0.61 0.36 0.00 0.02 0.00 0.00 55.36 55.14 2pni s GLN 46 Cb 0.00 -0.11 1.72 0.00 1.00 0.00 0.00 33.01 35.63 2pni s GLN 46 CO 0.00 -1.23 2.09 0.93 -2.12 0.00 0.00 175.29 174.96 2pni h GLU 47 N 6.47 0.00 -0.00 2.91 4.39 -2.00 -2.15 114.58 124.20 2pni h GLU 47 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2pni h GLU 47 Cb 1.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 2pni h GLU 47 CO 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.95 2pni n ALA 48 N -2.05 2.67 -3.75 3.43 0.00 -1.26 -4.39 120.51 115.15 2pni n ALA 48 Ca -0.01 -0.18 -0.28 0.00 0.00 0.00 0.00 53.44 52.98 2pni n ALA 48 Cb 0.20 -1.46 -0.11 0.00 0.00 0.00 0.00 19.45 18.08 2pni n ALA 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pni n LYS 49 N -0.93 1.49 0.18 0.00 4.01 -0.81 -4.77 118.16 117.33 2pni n LYS 49 Ca 0.21 -4.19 0.05 0.00 -0.51 0.00 0.00 58.31 53.87 2pni n LYS 49 Cb 0.10 -2.13 0.49 0.00 -0.51 0.00 0.00 35.03 32.98 2pni n LYS 49 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2pni h PRO 50 N 5.35 0.13 -1.01 1.97 0.13 -1.82 -3.26 132.00 133.51 2pni h PRO 50 Ca 0.18 -0.02 0.22 0.00 -0.87 0.00 0.00 66.00 65.51 2pni h PRO 50 Cb 0.78 -0.02 -0.11 0.00 0.13 0.00 0.00 31.00 31.78 2pni h PRO 50 CO 0.64 0.21 0.61 0.93 -0.23 0.00 0.00 178.00 180.17 2pni h GLU 51 N 0.13 0.61 0.03 0.86 5.08 -1.92 -0.41 114.58 118.96 2pni h GLU 51 Ca 0.03 -0.04 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 2pni h GLU 51 Cb 0.21 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2pni h GLU 51 CO 0.01 0.40 -1.75 -0.85 -1.00 0.00 0.00 179.01 175.82 2pni n GLU 52 N -4.78 0.66 -1.87 2.33 0.28 -1.23 -4.90 120.64 111.12 2pni n GLU 52 Ca 0.25 0.30 -0.35 0.00 -0.16 0.00 0.00 57.16 57.20 2pni n GLU 52 Cb 0.69 -1.78 0.04 0.00 1.43 0.00 0.00 31.44 31.82 2pni n GLU 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2pni s ILE 53 N -2.59 2.72 0.00 3.84 1.01 -0.16 -5.03 121.20 120.98 2pni s ILE 53 Ca -0.08 0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.98 2pni s ILE 53 Cb 0.08 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.48 2pni s ILE 53 CO 0.82 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 176.23 2pni n GLY 54 N 0.27 1.02 3.82 6.18 0.00 -1.26 -4.60 105.19 110.63 2pni n GLY 54 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2pni n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2pni s TRP 55 N 0.61 3.76 -0.12 1.61 0.52 -1.26 -0.46 118.94 123.60 2pni s TRP 55 Ca 0.00 1.15 -0.03 0.00 0.02 0.00 0.00 56.10 57.23 2pni s TRP 55 Cb 0.00 -2.40 -0.03 0.00 -1.15 0.00 0.00 33.47 29.88 2pni s TRP 55 CO 0.00 0.60 -0.00 -0.51 0.02 0.00 0.00 176.95 177.06 2pni s LEU 56 N -1.15 3.52 -0.16 2.99 1.43 -0.34 -4.85 118.68 120.12 2pni s LEU 56 Ca 0.27 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2pni s LEU 56 Cb -0.18 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.21 2pni s LEU 56 CO 0.17 0.29 -0.16 0.21 0.23 0.00 0.00 176.35 177.08 2pni s ASN 57 N -0.35 3.53 0.01 2.29 3.04 -1.26 -1.14 114.94 121.07 2pni s ASN 57 Ca 0.07 -0.51 -0.01 0.00 0.04 0.00 0.00 52.86 52.44 2pni s ASN 57 Cb -0.12 -1.54 0.00 0.00 -1.54 0.00 0.00 41.25 38.05 2pni s ASN 57 CO 0.02 0.06 0.07 0.61 -3.04 0.00 0.00 177.10 174.82 2pni n GLY 58 N 4.20 1.28 3.88 1.21 0.00 -1.02 -4.86 105.19 109.88 2pni n GLY 58 Ca -0.19 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 2pni n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pni s TYR 59 N -5.85 3.55 -0.61 1.61 1.51 -0.63 -2.41 117.35 114.51 2pni s TYR 59 Ca 0.01 0.71 0.05 0.00 -1.01 0.00 0.00 57.07 56.84 2pni s TYR 59 Cb -0.00 -2.11 0.30 0.00 -0.11 0.00 0.00 41.96 40.04 2pni s TYR 59 CO 0.00 0.50 0.86 -1.71 -1.11 0.00 0.00 175.55 174.09 2pni n ASN 60 N 0.68 4.18 0.25 2.29 4.05 0.55 -1.92 115.26 125.34 2pni n ASN 60 Ca -0.07 -3.58 0.18 0.00 0.45 0.00 0.00 54.58 51.56 2pni n ASN 60 Cb 0.52 -0.61 0.90 0.00 1.23 0.00 0.00 39.78 41.81 2pni n ASN 60 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 2pni h GLU 61 N 3.54 0.00 -0.82 1.20 5.08 -1.80 -1.73 114.58 120.05 2pni h GLU 61 Ca 0.16 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.69 2pni h GLU 61 Cb 0.57 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 2pni h GLU 61 CO 0.83 0.00 0.55 1.15 -1.00 0.00 0.00 179.01 180.54 2pni h THR 62 N 0.00 0.75 -0.01 1.13 2.02 -1.90 -0.76 112.91 114.15 2pni h THR 62 Ca 0.06 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2pni h THR 62 Cb 0.42 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 2pni h THR 62 CO -0.00 0.08 -0.29 0.35 0.37 0.00 0.00 175.52 176.03 2pni n THR 63 N -4.50 0.00 -2.85 3.16 -2.24 -0.72 -5.00 114.28 102.14 2pni n THR 63 Ca 0.16 -0.36 -0.08 0.00 -2.27 0.00 0.00 64.05 61.51 2pni n THR 63 Cb 0.59 1.13 0.03 0.00 -2.10 0.00 0.00 70.33 69.98 2pni n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pni n GLY 64 N 1.02 0.43 3.36 3.38 0.00 -0.29 -5.05 105.19 108.04 2pni n GLY 64 Ca 0.05 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 2pni n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pni s GLU 65 N -5.38 1.68 -0.03 1.61 0.41 -0.87 -4.97 118.70 111.15 2pni s GLU 65 Ca 0.19 -1.79 -0.11 0.00 -0.41 0.00 0.00 54.97 52.85 2pni s GLU 65 Cb -0.08 0.36 0.02 0.00 -1.78 0.00 0.00 34.13 32.65 2pni s GLU 65 CO 0.25 -0.64 0.24 -0.98 -0.49 0.00 0.00 175.26 173.63 2pni s ARG 66 N -3.50 0.51 0.00 1.61 1.70 -1.26 -0.33 118.95 117.67 2pni s ARG 66 Ca 0.36 -0.12 0.00 0.00 -0.47 0.00 0.00 55.73 55.50 2pni s ARG 66 Cb 0.02 0.22 0.00 0.00 -0.57 0.00 0.00 34.95 34.63 2pni s ARG 66 CO 0.21 -0.12 0.00 0.41 -1.08 0.00 0.00 175.30 174.71 2pni n GLY 67 N 1.77 -0.70 3.65 3.88 0.00 -1.01 -4.92 105.19 107.85 2pni n GLY 67 Ca -0.20 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 2pni n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pni s ASP 68 N -4.00 4.81 -0.11 1.61 1.01 -1.25 -2.42 116.67 116.31 2pni s ASP 68 Ca 0.00 -0.24 -0.15 0.00 0.71 0.00 0.00 52.55 52.87 2pni s ASP 68 Cb 0.00 -1.08 0.04 0.00 1.01 0.00 0.00 42.92 42.89 2pni s ASP 68 CO 0.00 0.18 0.39 0.72 0.21 0.00 0.00 175.17 176.67 2pni s PHE 69 N -1.27 -0.39 0.87 4.23 -0.71 -0.29 -4.05 117.98 116.37 2pni s PHE 69 Ca 0.24 0.89 -0.13 0.00 -1.04 0.00 0.00 56.93 56.89 2pni s PHE 69 Cb -0.11 0.15 0.07 0.00 -1.21 0.00 0.00 43.02 41.91 2pni s PHE 69 CO 0.16 -0.27 0.82 -2.30 -1.34 0.00 0.00 175.22 172.29 2pni n PRO 70 N 2.40 -0.12 -1.01 1.99 -0.02 -1.26 -1.19 135.00 135.78 2pni n PRO 70 Ca -0.15 0.03 -0.13 0.00 -2.02 0.00 0.00 63.50 61.23 2pni n PRO 70 Cb 0.57 -2.14 0.21 0.00 -0.02 0.00 0.00 33.50 32.12 2pni n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pni n GLY 71 N 0.96 4.50 0.00 -1.23 0.00 0.39 -4.49 105.19 105.32 2pni n GLY 71 Ca 0.10 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2pni n GLY 71 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2pni n THR 72 N -0.97 0.00 -0.02 2.61 5.66 -1.26 -3.70 114.28 116.60 2pni n THR 72 Ca 0.46 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 61.30 2pni n THR 72 Cb 1.37 1.48 0.00 0.00 -1.55 0.00 0.00 70.33 71.63 2pni n THR 72 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2pni n TYR 73 N -0.09 0.00 -2.90 1.09 4.11 -1.26 -5.04 117.16 113.06 2pni n TYR 73 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.69 2pni n TYR 73 Cb 0.12 0.00 0.08 0.00 -0.00 0.00 0.00 39.34 39.54 2pni n TYR 73 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 2pni s VAL 74 N -0.60 2.15 -0.26 -3.48 -7.23 -1.26 -1.54 120.40 108.17 2pni s VAL 74 Ca 0.00 -0.87 -0.01 0.00 -1.81 0.00 0.00 61.98 59.28 2pni s VAL 74 Cb 0.00 -2.27 0.13 0.00 0.56 0.00 0.00 36.38 34.80 2pni s VAL 74 CO 0.00 0.00 0.34 -0.70 -0.31 0.00 0.00 175.10 174.43 2pni s GLU 75 N -4.82 0.33 0.35 4.82 2.12 0.47 -4.70 118.70 117.27 2pni s GLU 75 Ca 0.63 0.19 -0.25 0.00 0.36 0.00 0.00 54.97 55.91 2pni s GLU 75 Cb -0.06 -0.60 -0.13 0.00 0.26 0.00 0.00 34.13 33.60 2pni s GLU 75 CO 0.41 -0.85 0.72 0.98 -0.54 0.00 0.00 175.26 175.98 2pni n TYR 76 N 5.34 0.19 0.01 5.30 9.36 -1.26 -1.06 117.16 135.04 2pni n TYR 76 Ca -0.02 0.68 0.00 0.00 3.32 0.00 0.00 57.90 61.88 2pni n TYR 76 Cb 0.49 -2.09 0.00 0.00 -0.63 0.00 0.00 39.34 37.11 2pni n TYR 76 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52 2pni n ILE 77 N -0.37 0.18 -3.63 2.97 -5.35 -1.06 -4.80 119.36 107.30 2pni n ILE 77 Ca 0.12 0.06 -0.15 0.00 -0.27 0.00 0.00 62.75 62.50 2pni n ILE 77 Cb 0.35 -1.36 -0.07 0.00 -1.74 0.00 0.00 39.64 36.81 2pni n ILE 77 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2pni s GLY 78 N -4.85 -0.43 -0.11 3.28 0.00 -1.25 -5.05 107.32 98.90 2pni s GLY 78 Ca 0.00 1.22 0.01 0.00 0.00 0.00 0.00 44.72 45.94 2pni s GLY 78 CO 0.00 0.94 -0.11 1.09 0.00 0.00 0.00 173.10 175.02 2pni s ARG 79 N -0.68 1.83 -0.53 2.90 1.70 -1.26 -1.93 118.95 120.97 2pni s ARG 79 Ca -0.08 -0.40 0.03 0.00 -0.47 0.00 0.00 55.73 54.81 2pni s ARG 79 Cb -0.03 -1.69 0.42 0.00 -0.57 0.00 0.00 34.95 33.08 2pni s ARG 79 CO 0.05 -0.16 1.50 1.63 -1.08 0.00 0.00 175.30 177.25 2pni n LYS 80 N 4.52 3.20 -1.51 3.89 5.02 -1.18 -5.01 118.16 127.09 2pni n LYS 80 Ca -0.17 -3.98 -0.25 0.00 -2.02 0.00 0.00 58.31 51.89 2pni n LYS 80 Cb 0.51 -2.27 -0.17 0.00 -0.02 0.00 0.00 35.03 33.08 2pni n LYS 80 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2pni n LYS 81 N -0.64 0.18 -3.42 1.97 -0.00 -1.26 -4.85 118.16 110.15 2pni n LYS 81 Ca 0.48 -0.16 -0.14 0.00 -0.00 0.00 0.00 58.31 58.49 2pni n LYS 81 Cb 0.66 -1.80 -0.10 0.00 -0.00 0.00 0.00 35.03 33.79 2pni n LYS 81 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 2pni s ILE 82 N 5.65 -0.45 -0.20 0.58 1.10 -1.26 -5.03 121.20 121.58 2pni s ILE 82 Ca 1.23 -0.19 -0.17 0.00 -0.51 0.00 0.00 60.65 61.01 2pni s ILE 82 Cb -0.75 -0.80 -0.19 0.00 0.15 0.00 0.00 42.46 40.86 2pni s ILE 82 CO 0.44 -0.23 0.15 -1.20 -2.11 0.00 0.00 174.94 171.98 2pni n SER 83 N 5.33 1.92 0.00 4.50 7.64 -1.26 -4.93 113.62 126.83 2pni n SER 83 Ca -0.04 0.36 0.05 0.00 1.01 0.00 0.00 58.87 60.25 2pni n SER 83 Cb 0.49 -0.92 0.32 0.00 -1.01 0.00 0.00 64.21 63.09 2pni n SER 83 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22