#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pni n SER 1 N 0.00 0.00 0.01 1.61 7.64 -1.26 -4.90 113.62 116.72 2pni n SER 1 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 2pni n SER 1 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 2pni n SER 1 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2pni h MET 1 N 0.00 0.03 -5.60 1.43 0.00 -2.09 -3.44 114.93 105.26 2pni h MET 1 Ca 0.00 -0.05 -0.62 0.00 0.00 0.00 0.00 59.70 59.03 2pni h MET 1 Cb 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 31.60 31.49 2pni h MET 1 CO 0.00 0.71 0.23 0.45 0.00 0.00 0.00 176.91 178.30 2pni s SER 2 N -6.36 6.48 -0.05 1.22 0.15 -1.26 -4.82 113.70 109.06 2pni s SER 2 Ca -0.04 0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.87 2pni s SER 2 Cb 0.08 -2.35 0.06 0.00 -1.71 0.00 0.00 66.02 62.10 2pni s SER 2 CO 0.82 -0.64 0.65 0.00 1.20 0.00 0.00 173.24 175.27 2pni n ALA 3 N 6.18 0.89 -1.94 5.45 0.00 -1.26 -4.86 120.51 124.98 2pni n ALA 3 Ca 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 53.44 52.82 2pni n ALA 3 Cb 0.48 -0.40 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 2pni n ALA 3 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2pni s GLU 4 N 0.02 2.21 0.00 0.00 2.02 -1.26 -4.26 118.70 117.42 2pni s GLU 4 Ca 0.01 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.40 2pni s GLU 4 Cb 0.07 -5.10 0.00 0.00 0.10 0.00 0.00 34.13 29.20 2pni s GLU 4 CO -0.02 -4.09 0.00 0.41 0.02 0.00 0.00 175.26 171.58 2pni n GLY 5 N 6.29 0.67 3.92 -1.39 0.00 -1.26 -4.07 105.19 109.35 2pni n GLY 5 Ca 0.43 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.83 3.49 0.19 1.61 2.02 -1.24 -1.53 117.35 119.06 2pni s TYR 6 Ca 0.00 0.29 0.06 0.00 -0.37 0.00 0.00 57.07 57.05 2pni s TYR 6 Cb 0.00 -1.80 -0.05 0.00 -0.40 0.00 0.00 41.96 39.71 2pni s TYR 6 CO 0.00 0.50 -0.11 -0.65 -1.57 0.00 0.00 175.55 173.72 2pni s GLN 7 N -2.91 1.25 -0.16 -0.62 -0.21 0.29 -1.76 119.66 115.53 2pni s GLN 7 Ca 0.37 -1.56 -0.05 0.00 0.02 0.00 0.00 55.36 54.13 2pni s GLN 7 Cb -0.12 -0.90 0.08 0.00 1.00 0.00 0.00 33.01 33.07 2pni s GLN 7 CO 0.28 0.11 0.32 0.71 -2.12 0.00 0.00 175.29 174.59 2pni s TYR 8 N -3.14 -0.57 -0.22 0.91 1.51 -0.91 -2.54 117.35 112.38 2pni s TYR 8 Ca 0.21 1.12 -0.15 0.00 -1.01 0.00 0.00 57.07 57.25 2pni s TYR 8 Cb 0.01 0.07 -0.04 0.00 -0.11 0.00 0.00 41.96 41.90 2pni s TYR 8 CO 0.05 -0.43 0.38 0.50 -1.11 0.00 0.00 175.55 174.93 2pni s ARG 9 N 2.49 4.13 -0.20 -0.62 3.00 -0.47 -1.68 118.95 125.60 2pni s ARG 9 Ca 0.01 0.14 -0.33 0.00 -1.00 0.00 0.00 55.73 54.55 2pni s ARG 9 Cb -0.12 -3.56 -0.10 0.00 0.00 0.00 0.00 34.95 31.17 2pni s ARG 9 CO -0.11 -0.08 2.07 0.00 0.00 0.00 0.00 175.30 177.19 2pni n ALA 10 N 4.63 1.21 0.08 6.12 0.00 -0.88 -1.88 120.51 129.79 2pni n ALA 10 Ca -0.09 0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 2pni n ALA 10 Cb 0.51 -2.64 -0.08 0.00 0.00 0.00 0.00 19.45 17.24 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 11.87 0.17 -7.85 0.00 5.85 -1.50 -3.38 115.31 120.47 2pni h LEU 11 Ca -0.40 -0.16 -0.21 0.00 0.84 0.00 0.00 57.88 57.95 2pni h LEU 11 Cb 1.28 -0.05 -0.25 0.00 0.37 0.00 0.00 40.66 42.00 2pni h LEU 11 CO 0.97 1.06 -0.71 -0.47 -0.34 0.00 0.00 178.44 178.95 2pni s TYR 12 N -2.88 0.14 -0.31 1.25 5.04 -0.71 -4.99 117.35 114.88 2pni s TYR 12 Ca -0.01 -0.22 -0.28 0.00 -2.44 0.00 0.00 57.07 54.12 2pni s TYR 12 Cb 0.10 -0.10 -0.03 0.00 0.35 0.00 0.00 41.96 42.27 2pni s TYR 12 CO 0.83 -0.08 2.02 0.16 -1.34 0.00 0.00 175.55 177.15 2pni s ASP 13 N -0.61 5.57 -0.08 4.32 1.47 -1.26 -4.74 116.67 121.33 2pni s ASP 13 Ca -0.06 1.47 0.02 0.00 1.18 0.00 0.00 52.55 55.16 2pni s ASP 13 Cb -0.04 -2.52 -0.02 0.00 -0.34 0.00 0.00 42.92 40.00 2pni s ASP 13 CO -0.00 -1.94 -0.13 -0.47 0.68 0.00 0.00 175.17 173.31 2pni s TYR 14 N 8.00 2.76 0.69 2.11 5.04 0.27 -4.94 117.35 131.27 2pni s TYR 14 Ca 0.89 -0.28 -0.03 0.00 -2.44 0.00 0.00 57.07 55.20 2pni s TYR 14 Cb -0.26 -1.70 0.14 0.00 0.35 0.00 0.00 41.96 40.49 2pni s TYR 14 CO 0.33 0.08 0.94 1.63 -1.34 0.00 0.00 175.55 177.19 2pni n LYS 15 N 2.66 -0.27 -3.15 4.97 5.02 -1.26 0.02 118.16 126.16 2pni n LYS 15 Ca -0.17 -2.25 -0.40 0.00 -2.02 0.00 0.00 58.31 53.46 2pni n LYS 15 Cb 0.52 -0.72 -0.06 0.00 -0.02 0.00 0.00 35.03 34.76 2pni n LYS 15 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2pni s LYS 16 N -4.94 4.18 0.00 1.97 -2.85 -0.68 -4.70 119.74 112.72 2pni s LYS 16 Ca 0.60 0.55 0.26 0.00 -1.00 0.00 0.00 55.97 56.37 2pni s LYS 16 Cb -0.03 -3.60 0.62 0.00 -2.06 0.00 0.00 37.83 32.77 2pni s LYS 16 CO 0.40 -0.27 1.49 -1.91 0.10 0.00 0.00 175.35 175.16 2pni n GLU 17 N 5.19 0.37 -3.88 1.78 2.13 -1.26 -4.91 120.64 120.06 2pni n GLU 17 Ca -0.02 -0.22 -0.11 0.00 0.66 0.00 0.00 57.16 57.48 2pni n GLU 17 Cb 0.50 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.61 2pni n GLU 17 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2pni s ARG 18 N -2.78 0.51 0.38 5.31 3.52 -1.26 -5.02 118.95 119.61 2pni s ARG 18 Ca 0.17 -0.45 0.20 0.00 -0.13 0.00 0.00 55.73 55.52 2pni s ARG 18 Cb 0.18 0.21 1.08 0.00 -1.56 0.00 0.00 34.95 34.86 2pni s ARG 18 CO 0.62 -0.12 1.56 1.05 -0.81 0.00 0.00 175.30 177.60 2pni h GLU 19 N 4.17 0.00 0.20 5.12 9.09 -2.02 -0.15 114.58 130.99 2pni h GLU 19 Ca -0.31 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 58.81 2pni h GLU 19 Cb 1.19 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 28.33 2pni h GLU 19 CO 0.42 0.00 -1.25 0.93 0.05 0.00 0.00 179.01 179.16 2pni h GLU 20 N 0.00 0.50 -7.41 1.06 4.39 -1.97 -3.46 114.58 107.69 2pni h GLU 20 Ca 0.00 -0.80 -0.47 0.00 0.34 0.00 0.00 59.36 58.44 2pni h GLU 20 Cb 0.34 0.29 0.14 0.00 -0.10 0.00 0.00 28.75 29.42 2pni h GLU 20 CO 0.00 1.38 0.26 -0.51 -1.16 0.00 0.00 179.01 178.97 2pni s ASP 21 N -7.38 3.33 0.00 1.42 1.11 -0.07 -2.53 116.67 112.55 2pni s ASP 21 Ca -0.10 1.18 0.00 0.00 0.18 0.00 0.00 52.55 53.80 2pni s ASP 21 Cb 0.03 -1.83 0.00 0.00 1.07 0.00 0.00 42.92 42.20 2pni s ASP 21 CO 0.91 -2.69 0.00 -0.38 1.18 0.00 0.00 175.17 174.20 2pni n ILE 22 N -3.88 0.00 -3.44 0.77 5.41 -1.26 -4.80 119.36 112.16 2pni n ILE 22 Ca 0.06 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.38 2pni n ILE 22 Cb 0.57 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.41 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 0.08 6.09 -0.22 4.38 1.01 -1.26 -1.68 116.67 125.07 2pni s ASP 23 Ca 0.00 -1.08 -0.18 0.00 0.71 0.00 0.00 52.55 52.00 2pni s ASP 23 Cb 0.00 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.74 2pni s ASP 23 CO 0.00 -0.52 0.48 -0.76 0.21 0.00 0.00 175.17 174.58 2pni s LEU 24 N 1.65 4.12 0.37 1.23 1.02 0.10 -5.01 118.68 122.17 2pni s LEU 24 Ca 0.04 0.58 0.08 0.00 0.02 0.00 0.00 54.13 54.86 2pni s LEU 24 Cb -0.21 -2.64 -0.07 0.00 0.02 0.00 0.00 46.19 43.29 2pni s LEU 24 CO 0.08 -0.19 -0.02 -1.38 0.02 0.00 0.00 176.35 174.87 2pni s HIS 25 N 1.77 2.48 0.62 0.29 -3.43 -1.26 -0.56 115.29 115.20 2pni s HIS 25 Ca 0.22 -0.57 -0.18 0.00 -0.80 0.00 0.00 55.06 53.73 2pni s HIS 25 Cb -0.15 -1.60 -0.05 0.00 -1.43 0.00 0.00 32.58 29.35 2pni s HIS 25 CO 0.09 0.49 0.85 1.28 -2.00 0.00 0.00 174.74 175.45 2pni n LEU 26 N -0.92 2.97 0.00 5.38 4.77 -1.26 -2.13 117.00 125.81 2pni n LEU 26 Ca -0.05 0.76 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 2pni n LEU 26 Cb 0.65 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 2pni n LEU 26 CO 0.46 -2.21 0.00 0.61 -1.33 0.00 0.00 177.39 174.92 2pni n GLY 27 N 1.40 1.96 3.64 -0.72 0.00 -1.26 -4.95 105.19 105.26 2pni n GLY 27 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2pni n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pni s ASP 28 N -2.37 6.29 0.13 1.61 1.11 -0.90 -4.90 116.67 117.63 2pni s ASP 28 Ca 0.00 2.29 -0.07 0.00 0.18 0.00 0.00 52.55 54.95 2pni s ASP 28 Cb 0.00 -2.53 -0.06 0.00 1.07 0.00 0.00 42.92 41.40 2pni s ASP 28 CO 0.00 -1.24 0.40 -0.51 1.18 0.00 0.00 175.17 175.00 2pni s ILE 29 N 5.23 5.13 -0.05 0.77 1.10 -1.26 -2.08 121.20 130.04 2pni s ILE 29 Ca 0.85 0.19 0.06 0.00 -0.51 0.00 0.00 60.65 61.24 2pni s ILE 29 Cb -0.36 -3.63 -0.01 0.00 0.15 0.00 0.00 42.46 38.61 2pni s ILE 29 CO 0.36 0.10 -0.22 -0.76 -2.11 0.00 0.00 174.94 172.30 2pni s LEU 30 N -2.47 2.02 -0.02 8.50 1.02 -0.68 -4.57 118.68 122.49 2pni s LEU 30 Ca 0.39 -0.46 0.07 0.00 0.02 0.00 0.00 54.13 54.16 2pni s LEU 30 Cb -0.12 -1.24 -0.02 0.00 0.02 0.00 0.00 46.19 44.83 2pni s LEU 30 CO 0.22 0.21 -0.23 -0.89 0.02 0.00 0.00 176.35 175.68 2pni s THR 31 N -0.09 1.85 0.27 5.49 2.01 -1.05 -2.14 115.64 121.97 2pni s THR 31 Ca -0.04 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 60.96 2pni s THR 31 Cb -0.13 -1.53 -0.00 0.00 0.01 0.00 0.00 72.50 70.84 2pni s THR 31 CO 0.03 0.51 0.03 0.52 -0.69 0.00 0.00 174.62 175.02 2pni n VAL 32 N 2.47 0.00 -1.47 3.82 0.31 -0.72 -2.74 118.33 120.00 2pni n VAL 32 Ca -0.16 -1.36 -0.30 0.00 -0.01 0.00 0.00 64.34 62.51 2pni n VAL 32 Cb 0.52 0.35 0.20 0.00 -0.91 0.00 0.00 33.84 33.99 2pni n VAL 32 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2pni s ASN 33 N -2.54 2.25 0.43 4.52 3.84 -1.26 -3.87 114.94 118.31 2pni s ASN 33 Ca 0.04 0.58 0.23 0.00 0.21 0.00 0.00 52.86 53.93 2pni s ASN 33 Cb 0.00 -0.83 0.47 0.00 -0.55 0.00 0.00 41.25 40.34 2pni s ASN 33 CO 0.03 -3.30 1.65 0.07 -2.79 0.00 0.00 177.10 172.76 2pni h LYS 34 N -2.02 0.00 -0.14 0.43 2.10 -1.92 -3.29 116.57 111.73 2pni h LYS 34 Ca -0.46 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 57.99 2pni h LYS 34 Cb 1.28 0.00 -0.39 0.00 -0.90 0.00 0.00 32.23 32.22 2pni h LYS 34 CO 0.42 0.09 -1.06 0.41 -2.00 0.00 0.00 179.45 177.30 2pni n GLY 35 N 0.93 1.26 0.00 0.07 0.00 -1.26 -4.53 105.19 101.65 2pni n GLY 35 Ca 0.03 -0.91 0.08 0.00 0.00 0.00 0.00 46.02 45.21 2pni n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pni n SER 36 N 0.13 0.00 -0.20 1.61 3.41 -1.25 -1.73 113.62 115.59 2pni n SER 36 Ca 0.06 -0.60 -0.08 0.00 -0.26 0.00 0.00 58.87 57.99 2pni n SER 36 Cb 1.03 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 65.00 2pni n SER 36 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2pni h LEU 37 N 0.00 0.81 -0.02 1.04 3.38 -1.90 -3.10 115.31 115.53 2pni h LEU 37 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2pni h LEU 37 Cb 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2pni h LEU 37 CO 0.00 0.80 -0.06 0.52 0.09 0.00 0.00 178.44 179.78 2pni n VAL 38 N -4.45 0.00 -0.40 1.22 0.31 -0.71 -2.88 118.33 111.43 2pni n VAL 38 Ca 0.03 -0.00 0.36 0.00 -0.01 0.00 0.00 64.34 64.71 2pni n VAL 38 Cb 0.20 -0.39 0.63 0.00 -0.91 0.00 0.00 33.84 33.37 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 -1.42 1.19 -0.13 3.52 0.00 -1.17 -0.77 120.51 121.72 2pni n ALA 39 Ca 0.09 0.92 -0.28 0.00 0.00 0.00 0.00 53.44 54.17 2pni n ALA 39 Cb 0.32 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.64 2pni n ALA 39 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2pni n LEU 40 N -4.92 1.95 0.00 0.00 7.94 -1.25 -5.03 117.00 115.69 2pni n LEU 40 Ca 0.39 0.35 0.00 0.00 -1.11 0.00 0.00 56.01 55.64 2pni n LEU 40 Cb 1.41 -0.86 0.00 0.00 0.53 0.00 0.00 43.42 44.51 2pni n LEU 40 CO 0.10 0.51 0.00 0.61 -1.11 0.00 0.00 177.39 177.51 2pni n GLY 41 N 1.31 1.01 3.49 -3.96 0.00 0.05 -5.15 105.19 101.93 2pni n GLY 41 Ca -0.49 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 2pni n GLY 41 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pni n PHE 42 N -0.00 -0.91 -2.33 1.61 3.01 -1.14 -5.00 117.46 112.71 2pni n PHE 42 Ca 0.00 -0.02 0.04 0.00 1.01 0.00 0.00 57.45 58.48 2pni n PHE 42 Cb 0.00 -1.74 0.05 0.00 -0.01 0.00 0.00 39.48 37.77 2pni n PHE 42 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2pni n SER 43 N -4.42 1.07 -0.07 4.37 3.41 -1.26 -4.79 113.62 111.92 2pni n SER 43 Ca 0.04 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.36 2pni n SER 43 Cb 0.54 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 2pni n SER 43 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2pni n ASP 44 N 0.22 0.64 0.00 4.04 -0.08 -1.26 -5.09 116.55 115.02 2pni n ASP 44 Ca 0.08 -0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 2pni n ASP 44 Cb 1.06 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.52 2pni n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pni n GLY 45 N 1.61 0.45 2.54 0.27 0.00 -1.26 -4.96 105.19 103.83 2pni n GLY 45 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2pni n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pni n GLN 46 N 0.00 3.70 0.26 1.61 6.02 -1.26 -4.54 117.38 123.16 2pni n GLN 46 Ca 0.00 -3.17 0.13 0.00 -0.01 0.00 0.00 57.00 53.95 2pni n GLN 46 Cb 0.35 -2.39 0.71 0.00 1.02 0.00 0.00 30.24 29.92 2pni n GLN 46 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 2pni h GLU 47 N 3.80 0.00 0.00 -1.09 4.11 -2.04 -2.58 114.58 116.78 2pni h GLU 47 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 2pni h GLU 47 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2pni h GLU 47 CO 1.21 0.12 0.00 0.00 0.07 0.00 0.00 179.01 180.41 2pni n ALA 48 N -2.24 2.31 -3.92 1.06 0.00 -1.26 -4.24 120.51 112.21 2pni n ALA 48 Ca -0.01 -0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 2pni n ALA 48 Cb 0.26 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.15 2pni n ALA 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2pni s LYS 49 N -2.64 2.17 0.00 0.00 3.01 -0.97 -4.71 119.74 116.61 2pni s LYS 49 Ca 0.23 -2.85 0.06 0.00 -1.01 0.00 0.00 55.97 52.40 2pni s LYS 49 Cb 0.18 -3.38 0.28 0.00 -1.01 0.00 0.00 37.83 33.89 2pni s LYS 49 CO 0.42 -1.17 1.03 -0.35 0.51 0.00 0.00 175.35 175.79 2pni n PRO 50 N 2.77 0.07 -0.04 -1.68 -0.05 -1.26 -3.27 135.00 131.54 2pni n PRO 50 Ca 0.10 0.25 -0.04 0.00 -0.05 0.00 0.00 63.50 63.76 2pni n PRO 50 Cb 0.33 -1.50 0.19 0.00 -0.05 0.00 0.00 33.50 32.47 2pni n PRO 50 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 175.50 176.38 2pni h GLU 51 N 0.00 0.64 0.00 0.54 5.08 -1.92 -3.16 114.58 115.76 2pni h GLU 51 Ca 0.00 -0.20 -0.23 0.00 -1.00 0.00 0.00 59.36 57.93 2pni h GLU 51 Cb 0.06 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2pni h GLU 51 CO 0.00 0.73 -1.51 1.05 -1.00 0.00 0.00 179.01 178.29 2pni h GLU 52 N 0.58 0.00 -6.77 2.33 4.11 -1.91 -3.46 114.58 109.46 2pni h GLU 52 Ca 0.10 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 59.05 2pni h GLU 52 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2pni h GLU 52 CO 0.03 0.44 0.34 0.42 0.07 0.00 0.00 179.01 180.31 2pni s ILE 53 N -2.75 4.13 0.00 -1.06 1.01 -1.19 -5.01 121.20 116.33 2pni s ILE 53 Ca -0.03 1.98 0.00 0.00 0.00 0.00 0.00 60.65 62.60 2pni s ILE 53 Cb 0.08 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.33 2pni s ILE 53 CO 0.82 0.40 0.00 0.61 0.00 0.00 0.00 174.94 176.76 2pni n GLY 54 N 1.22 0.76 3.67 6.18 0.00 -1.26 -4.42 105.19 111.34 2pni n GLY 54 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 3.40 -0.18 1.61 0.52 -1.26 -1.26 118.94 121.77 2pni s TRP 55 Ca 0.00 0.81 -0.08 0.00 0.02 0.00 0.00 56.10 56.85 2pni s TRP 55 Cb 0.00 -2.66 -0.04 0.00 -1.15 0.00 0.00 33.47 29.62 2pni s TRP 55 CO 0.00 -0.06 0.08 -0.51 0.02 0.00 0.00 176.95 176.48 2pni s LEU 56 N 1.48 3.94 -0.25 2.99 1.02 -0.50 -4.97 118.68 122.39 2pni s LEU 56 Ca 0.25 0.15 -0.13 0.00 0.02 0.00 0.00 54.13 54.42 2pni s LEU 56 Cb -0.15 -2.00 -0.04 0.00 0.02 0.00 0.00 46.19 44.02 2pni s LEU 56 CO 0.10 0.20 0.26 0.21 0.02 0.00 0.00 176.35 177.14 2pni s ASN 57 N 0.20 6.18 0.20 2.29 3.04 -1.26 -1.18 114.94 124.40 2pni s ASN 57 Ca 0.06 0.19 -0.02 0.00 0.04 0.00 0.00 52.86 53.12 2pni s ASN 57 Cb -0.12 -2.16 0.01 0.00 -1.54 0.00 0.00 41.25 37.44 2pni s ASN 57 CO -0.00 -0.06 0.30 0.61 -3.04 0.00 0.00 177.10 174.91 2pni n GLY 58 N 4.55 2.35 3.25 1.21 0.00 -0.89 -4.91 105.19 110.74 2pni n GLY 58 Ca -0.12 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 2pni n GLY 58 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2pni s TYR 59 N -4.15 2.44 -1.05 1.61 1.13 -1.11 -2.28 117.35 113.95 2pni s TYR 59 Ca 0.15 -0.82 -0.11 0.00 -1.41 0.00 0.00 57.07 54.88 2pni s TYR 59 Cb -0.01 -1.62 0.25 0.00 -1.10 0.00 0.00 41.96 39.49 2pni s TYR 59 CO 0.10 -0.28 1.05 1.21 -2.51 0.00 0.00 175.55 175.12 2pni s ASN 60 N 0.01 7.16 0.56 -0.18 2.47 -0.45 -2.53 114.94 121.99 2pni s ASN 60 Ca -0.09 -3.31 0.34 0.00 0.42 0.00 0.00 52.86 50.22 2pni s ASN 60 Cb -0.15 -2.23 1.47 0.00 -1.45 0.00 0.00 41.25 38.90 2pni s ASN 60 CO 0.05 -0.40 1.77 -0.33 -3.72 0.00 0.00 177.10 174.47 2pni h GLU 61 N 7.01 0.00 -0.27 0.43 5.08 -1.81 -0.62 114.58 124.41 2pni h GLU 61 Ca 0.17 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.57 2pni h GLU 61 Cb 0.92 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 2pni h GLU 61 CO 0.96 0.00 0.01 1.15 -1.00 0.00 0.00 179.01 180.13 2pni h THR 62 N 0.00 0.81 -0.02 1.13 2.02 -1.90 -2.00 112.91 112.96 2pni h THR 62 Ca 0.48 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.63 2pni h THR 62 Cb 2.12 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 2pni h THR 62 CO -0.01 0.02 0.00 0.35 0.37 0.00 0.00 175.52 176.25 2pni n THR 63 N -5.15 0.00 -3.44 3.16 -2.24 -0.61 -4.96 114.28 101.04 2pni n THR 63 Ca -0.01 -0.38 -0.19 0.00 -2.27 0.00 0.00 64.05 61.20 2pni n THR 63 Cb 0.14 1.03 0.08 0.00 -2.10 0.00 0.00 70.33 69.48 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 1.27 -0.39 3.32 3.38 0.00 -0.34 -5.00 105.19 107.43 2pni n GLY 64 Ca 0.16 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 46.18 2pni n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pni s GLU 65 N -5.72 1.54 -0.04 1.61 2.56 -1.00 -4.99 118.70 112.66 2pni s GLU 65 Ca 0.25 -1.73 -0.07 0.00 0.00 0.00 0.00 54.97 53.42 2pni s GLU 65 Cb -0.11 0.34 0.01 0.00 2.00 0.00 0.00 34.13 36.37 2pni s GLU 65 CO 0.70 -0.57 0.17 0.50 -0.56 0.00 0.00 175.26 175.49 2pni s ARG 66 N -3.72 0.33 0.00 4.30 3.52 -1.26 -1.34 118.95 120.78 2pni s ARG 66 Ca 0.36 -0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 2pni s ARG 66 Cb 0.03 0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 2pni s ARG 66 CO 0.18 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.01 2pni n GLY 67 N 2.32 0.95 3.82 8.12 0.00 -0.97 -4.90 105.19 114.54 2pni n GLY 67 Ca -0.17 -0.54 -0.22 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 2.00 4.87 -0.19 1.61 1.01 -1.05 -2.10 116.67 122.82 2pni s ASP 68 Ca 0.00 -0.81 -0.28 0.00 0.71 0.00 0.00 52.55 52.17 2pni s ASP 68 Cb 0.00 -0.60 0.10 0.00 1.01 0.00 0.00 42.92 43.42 2pni s ASP 68 CO 0.00 -0.56 0.86 0.72 0.21 0.00 0.00 175.17 176.40 2pni s PHE 69 N -2.48 -0.58 0.86 4.23 -0.71 -0.33 -4.03 117.98 114.94 2pni s PHE 69 Ca 0.44 1.23 -0.10 0.00 -1.04 0.00 0.00 56.93 57.46 2pni s PHE 69 Cb -0.02 0.37 0.11 0.00 -1.21 0.00 0.00 43.02 42.28 2pni s PHE 69 CO 0.26 -0.39 1.12 -1.25 -1.34 0.00 0.00 175.22 173.62 2pni s PRO 70 N -0.38 1.50 -0.91 1.99 0.04 -1.26 -1.40 135.00 134.57 2pni s PRO 70 Ca -0.02 1.34 -0.02 0.00 0.04 0.00 0.00 61.00 62.33 2pni s PRO 70 Cb -0.03 -1.80 0.27 0.00 0.04 0.00 0.00 34.50 32.99 2pni s PRO 70 CO 0.01 -2.23 2.10 0.41 0.04 0.00 0.00 177.00 177.33 2pni n GLY 71 N -0.43 5.55 0.00 0.56 0.00 -0.39 -4.28 105.19 106.20 2pni n GLY 71 Ca 0.10 -2.39 0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 0.08 0.00 1.17 2.61 5.66 -1.26 -4.35 114.28 118.18 2pni n THR 72 Ca 0.52 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.64 2pni n THR 72 Cb 0.29 -0.13 0.30 0.00 -1.55 0.00 0.00 70.33 69.23 2pni n THR 72 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2pni n TYR 73 N -0.69 0.00 -4.33 1.09 4.01 -1.26 -4.91 117.16 111.07 2pni n TYR 73 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 2pni n TYR 73 Cb 0.06 -0.13 -0.09 0.00 -0.31 0.00 0.00 39.34 38.88 2pni n TYR 73 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2pni s VAL 74 N -2.60 2.38 -0.03 -0.72 -7.23 -1.26 -1.34 120.40 109.59 2pni s VAL 74 Ca 0.21 -1.89 -0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2pni s VAL 74 Cb 0.19 -2.91 0.03 0.00 0.56 0.00 0.00 36.38 34.25 2pni s VAL 74 CO 0.57 -0.09 0.03 -0.70 -0.31 0.00 0.00 175.10 174.60 2pni s GLU 75 N -3.78 0.09 0.40 4.82 2.56 -0.79 -4.73 118.70 117.29 2pni s GLU 75 Ca 0.37 0.19 -0.24 0.00 0.00 0.00 0.00 54.97 55.29 2pni s GLU 75 Cb 0.03 -0.42 -0.12 0.00 2.00 0.00 0.00 34.13 35.62 2pni s GLU 75 CO 0.20 -0.20 0.83 0.98 -0.56 0.00 0.00 175.26 176.51 2pni n TYR 76 N 4.49 0.54 0.04 5.30 9.36 -1.26 -1.37 117.16 134.25 2pni n TYR 76 Ca -0.21 0.60 0.00 0.00 3.32 0.00 0.00 57.90 61.61 2pni n TYR 76 Cb 0.50 -2.14 0.00 0.00 -0.63 0.00 0.00 39.34 37.08 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 -0.57 0.44 -3.50 2.97 -5.35 -1.05 -4.79 119.36 107.51 2pni n ILE 77 Ca 0.11 0.15 -0.16 0.00 -0.27 0.00 0.00 62.75 62.57 2pni n ILE 77 Cb 0.38 -1.24 -0.05 0.00 -1.74 0.00 0.00 39.64 36.99 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 -4.65 -0.58 0.01 3.28 0.00 -1.25 -5.04 107.32 99.09 2pni s GLY 78 Ca 0.00 1.08 -0.05 0.00 0.00 0.00 0.00 44.72 45.75 2pni s GLY 78 CO 0.00 0.73 0.09 1.09 0.00 0.00 0.00 173.10 175.01 2pni s ARG 79 N -1.90 0.42 -0.32 2.90 3.03 -1.26 -0.54 118.95 121.28 2pni s ARG 79 Ca -0.08 -0.43 0.10 0.00 2.03 0.00 0.00 55.73 57.34 2pni s ARG 79 Cb -0.00 0.17 0.46 0.00 -1.03 0.00 0.00 34.95 34.54 2pni s ARG 79 CO 0.04 -0.09 1.15 1.63 -1.13 0.00 0.00 175.30 176.89 2pni n LYS 80 N 1.56 3.16 -1.29 3.89 5.02 -0.58 -4.98 118.16 124.94 2pni n LYS 80 Ca -0.23 -4.10 -0.60 0.00 -2.02 0.00 0.00 58.31 51.37 2pni n LYS 80 Cb 0.56 -2.12 -0.12 0.00 -0.02 0.00 0.00 35.03 33.33 2pni n LYS 80 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2pni n LYS 81 N -0.61 0.05 -3.67 1.97 4.81 -1.26 -4.08 118.16 115.37 2pni n LYS 81 Ca 0.35 0.01 -0.30 0.00 -0.87 0.00 0.00 58.31 57.51 2pni n LYS 81 Cb 0.87 -1.54 -0.14 0.00 0.02 0.00 0.00 35.03 34.24 2pni n LYS 81 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 2pni s ILE 82 N 5.87 0.86 0.27 3.15 1.10 -1.26 -5.04 121.20 126.14 2pni s ILE 82 Ca 1.19 -1.78 0.05 0.00 -0.51 0.00 0.00 60.65 59.59 2pni s ILE 82 Cb -1.47 -1.63 -0.03 0.00 0.15 0.00 0.00 42.46 39.48 2pni s ILE 82 CO 0.66 -0.80 0.40 -0.94 -2.11 0.00 0.00 174.94 172.15 2pni s SER 83 N 1.15 6.25 0.00 4.50 1.04 -1.26 -4.92 113.70 120.46 2pni s SER 83 Ca 0.14 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2pni s SER 83 Cb -0.21 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.15 2pni s SER 83 CO -0.13 -0.16 0.39 -0.81 0.98 0.00 0.00 173.24 173.51