#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pni h SER 1 N 0.00 0.07 -3.89 1.61 0.87 -2.11 -3.50 113.55 106.61 2pni h SER 1 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2pni h SER 1 Cb 0.00 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2pni h SER 1 CO 0.00 0.14 -0.79 0.80 -0.53 0.00 0.00 176.83 176.45 2pni n MET 1 N -5.00 -3.37 -1.65 2.24 0.00 -1.26 -4.87 117.12 103.22 2pni n MET 1 Ca -0.06 2.61 -0.41 0.00 -0.00 0.00 0.00 57.70 59.84 2pni n MET 1 Cb 0.07 -3.26 0.01 0.00 0.00 0.00 0.00 33.22 30.05 2pni n MET 1 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2pni n SER 2 N -2.36 1.74 -0.17 6.12 7.64 -1.26 -5.02 113.62 120.31 2pni n SER 2 Ca 0.00 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.93 2pni n SER 2 Cb 0.38 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 2pni n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pni n ALA 3 N -0.47 0.00 -2.26 -0.43 0.00 -1.26 -5.00 120.51 111.09 2pni n ALA 3 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.37 2pni n ALA 3 Cb 0.40 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.88 2pni n ALA 3 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2pni n GLU 4 N 0.00 2.93 0.00 0.00 0.28 -1.26 -5.04 120.64 117.55 2pni n GLU 4 Ca 0.00 -3.91 0.00 0.00 -0.16 0.00 0.00 57.16 53.09 2pni n GLU 4 Cb 0.00 -2.02 0.00 0.00 1.43 0.00 0.00 31.44 30.85 2pni n GLU 4 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2pni n GLY 5 N -0.67 -0.82 3.92 -1.84 0.00 -1.26 -2.82 105.19 101.70 2pni n GLY 5 Ca 0.32 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.00 3.50 0.23 1.61 2.02 -1.25 -3.59 117.35 115.87 2pni s TYR 6 Ca 0.00 0.34 0.05 0.00 -0.37 0.00 0.00 57.07 57.09 2pni s TYR 6 Cb 0.00 -1.84 -0.05 0.00 -0.40 0.00 0.00 41.96 39.67 2pni s TYR 6 CO 0.00 0.52 -0.05 -0.65 -1.57 0.00 0.00 175.55 173.80 2pni s GLN 7 N -2.69 1.37 0.03 -0.62 -0.21 -0.73 -1.65 119.66 115.16 2pni s GLN 7 Ca 0.37 -1.67 -0.02 0.00 0.02 0.00 0.00 55.36 54.06 2pni s GLN 7 Cb -0.12 -0.85 -0.02 0.00 1.00 0.00 0.00 33.01 33.01 2pni s GLN 7 CO 0.27 -0.00 0.01 0.71 -2.12 0.00 0.00 175.29 174.16 2pni s TYR 8 N -3.23 0.33 -0.13 0.91 1.51 -0.88 -2.52 117.35 113.34 2pni s TYR 8 Ca 0.27 -0.70 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 2pni s TYR 8 Cb 0.04 -0.24 0.02 0.00 -0.11 0.00 0.00 41.96 41.67 2pni s TYR 8 CO 0.08 -0.30 -0.13 0.50 -1.11 0.00 0.00 175.55 174.59 2pni s ARG 9 N -2.60 2.12 -0.00 -0.62 3.52 -0.08 -1.86 118.95 119.43 2pni s ARG 9 Ca -0.05 -0.49 -0.36 0.00 -0.13 0.00 0.00 55.73 54.69 2pni s ARG 9 Cb -0.01 -1.95 -0.15 0.00 -1.56 0.00 0.00 34.95 31.28 2pni s ARG 9 CO -0.05 -0.21 1.60 0.00 -0.81 0.00 0.00 175.30 175.83 2pni n ALA 10 N 4.68 0.21 0.04 6.12 0.00 -0.93 -0.76 120.51 129.88 2pni n ALA 10 Ca -0.17 0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.57 2pni n ALA 10 Cb 0.50 -2.27 -0.14 0.00 0.00 0.00 0.00 19.45 17.55 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 6.40 0.21 -7.95 0.00 5.85 -1.58 -3.41 115.31 114.83 2pni h LEU 11 Ca -0.47 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 57.85 2pni h LEU 11 Cb 1.30 -0.07 -0.16 0.00 0.37 0.00 0.00 40.66 42.10 2pni h LEU 11 CO 0.88 1.24 -0.51 -0.31 -0.34 0.00 0.00 178.44 179.40 2pni s TYR 12 N -2.64 0.26 -0.29 1.25 1.51 -1.22 -5.00 117.35 111.22 2pni s TYR 12 Ca -0.06 -0.66 -0.29 0.00 -1.01 0.00 0.00 57.07 55.06 2pni s TYR 12 Cb 0.08 -0.17 0.01 0.00 -0.11 0.00 0.00 41.96 41.77 2pni s TYR 12 CO 0.84 -0.42 1.13 0.16 -1.11 0.00 0.00 175.55 176.14 2pni s ASP 13 N -2.53 6.91 -0.07 2.29 -4.77 -1.26 -4.54 116.67 112.70 2pni s ASP 13 Ca 0.01 1.17 0.05 0.00 -3.30 0.00 0.00 52.55 50.48 2pni s ASP 13 Cb 0.03 -2.54 -0.01 0.00 -1.09 0.00 0.00 42.92 39.31 2pni s ASP 13 CO -0.08 -0.88 -0.23 -0.47 0.70 0.00 0.00 175.17 174.21 2pni s TYR 14 N 3.70 2.33 0.52 2.11 5.04 -0.71 -4.97 117.35 125.38 2pni s TYR 14 Ca 0.48 -0.77 -0.03 0.00 -2.44 0.00 0.00 57.07 54.31 2pni s TYR 14 Cb -0.14 -1.54 0.00 0.00 0.35 0.00 0.00 41.96 40.63 2pni s TYR 14 CO 0.15 -0.26 0.79 0.15 -1.34 0.00 0.00 175.55 175.04 2pni s LYS 15 N 0.02 3.00 0.12 4.97 1.02 -1.26 -0.82 119.74 126.79 2pni s LYS 15 Ca -0.08 -0.23 -0.18 0.00 0.02 0.00 0.00 55.97 55.50 2pni s LYS 15 Cb -0.15 -2.41 -0.07 0.00 -0.52 0.00 0.00 37.83 34.69 2pni s LYS 15 CO 0.05 -0.49 0.59 -1.59 -0.92 0.00 0.00 175.35 172.99 2pni s LYS 16 N -4.78 4.14 0.00 1.68 -2.85 -1.26 -4.83 119.74 111.84 2pni s LYS 16 Ca 0.51 0.67 0.00 0.00 -1.00 0.00 0.00 55.97 56.16 2pni s LYS 16 Cb -0.10 -3.08 0.00 0.00 -2.06 0.00 0.00 37.83 32.59 2pni s LYS 16 CO 0.42 0.55 0.00 -1.91 0.10 0.00 0.00 175.35 174.51 2pni n GLU 17 N 1.26 3.68 -4.64 1.78 0.00 -1.26 -5.04 120.64 116.41 2pni n GLU 17 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 56.85 2pni n GLU 17 Cb 0.51 -0.41 -0.14 0.00 0.00 0.00 0.00 31.44 31.40 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 -0.72 1.27 0.37 5.31 6.06 -1.26 -5.03 118.95 124.95 2pni s ARG 18 Ca 0.00 -0.76 0.05 0.00 -2.50 0.00 0.00 55.73 52.52 2pni s ARG 18 Cb 0.00 -1.29 0.70 0.00 0.06 0.00 0.00 34.95 34.42 2pni s ARG 18 CO 0.00 0.34 1.96 0.93 -2.50 0.00 0.00 175.30 176.03 2pni h GLU 19 N 5.23 0.57 -0.35 5.12 4.39 -2.02 -1.04 114.58 126.48 2pni h GLU 19 Ca -0.39 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.16 2pni h GLU 19 Cb 1.16 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 2pni h GLU 19 CO 0.46 0.48 -0.10 0.93 -1.16 0.00 0.00 179.01 179.62 2pni h GLU 20 N 0.57 0.60 -6.93 2.33 5.08 -1.98 -3.44 114.58 110.82 2pni h GLU 20 Ca 0.14 -0.18 -0.48 0.00 -1.00 0.00 0.00 59.36 57.84 2pni h GLU 20 Cb 0.13 -0.06 0.04 0.00 0.50 0.00 0.00 28.75 29.35 2pni h GLU 20 CO -0.01 0.69 0.08 -0.51 -1.00 0.00 0.00 179.01 178.26 2pni s ASP 21 N -6.74 6.00 0.42 1.42 1.01 -0.39 -3.26 116.67 115.13 2pni s ASP 21 Ca -0.08 0.74 0.04 0.00 0.71 0.00 0.00 52.55 53.95 2pni s ASP 21 Cb 0.14 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 42.07 2pni s ASP 21 CO 0.79 -0.72 0.05 0.27 0.21 0.00 0.00 175.17 175.77 2pni s ILE 22 N -2.76 1.17 0.47 0.77 -4.36 -1.26 -4.71 121.20 110.51 2pni s ILE 22 Ca 0.49 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.67 2pni s ILE 22 Cb -0.10 -2.51 -0.08 0.00 1.25 0.00 0.00 42.46 41.01 2pni s ILE 22 CO 0.43 0.00 1.07 -1.81 0.24 0.00 0.00 174.94 174.87 2pni s ASP 23 N -3.68 6.35 0.00 4.36 1.11 -1.26 -4.42 116.67 119.14 2pni s ASP 23 Ca 0.23 2.03 0.03 0.00 0.18 0.00 0.00 52.55 55.02 2pni s ASP 23 Cb 0.05 -2.57 -0.01 0.00 1.07 0.00 0.00 42.92 41.46 2pni s ASP 23 CO 0.12 -0.78 -0.09 -0.76 1.18 0.00 0.00 175.17 174.84 2pni s LEU 24 N -3.25 2.05 0.14 1.23 1.43 -0.00 -4.99 118.68 115.28 2pni s LEU 24 Ca 0.65 -0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.51 2pni s LEU 24 Cb -0.20 -0.44 -0.03 0.00 0.03 0.00 0.00 46.19 45.55 2pni s LEU 24 CO 0.24 0.08 0.11 -1.00 0.23 0.00 0.00 176.35 176.02 2pni s HIS 25 N -0.35 0.77 0.63 0.29 0.09 -1.26 -1.73 115.29 113.73 2pni s HIS 25 Ca 0.02 -1.14 -0.17 0.00 -0.00 0.00 0.00 55.06 53.77 2pni s HIS 25 Cb -0.04 -0.39 -0.02 0.00 -0.00 0.00 0.00 32.58 32.14 2pni s HIS 25 CO -0.00 -0.58 1.19 -0.51 -0.00 0.00 0.00 174.74 174.84 2pni s LEU 26 N -3.04 3.55 0.00 0.89 1.43 -1.26 -3.04 118.68 117.21 2pni s LEU 26 Ca 0.24 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 2pni s LEU 26 Cb 0.06 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.70 2pni s LEU 26 CO 0.02 -1.71 0.00 0.61 0.23 0.00 0.00 176.35 175.50 2pni n GLY 27 N 0.29 1.63 3.73 -3.19 0.00 -1.26 -4.96 105.19 101.43 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 -0.35 0.00 0.00 0.00 173.32 172.97 2pni s ASP 28 N -3.10 6.84 -0.03 1.61 2.15 -1.17 -4.96 116.67 118.02 2pni s ASP 28 Ca 0.00 2.39 0.07 0.00 0.43 0.00 0.00 52.55 55.44 2pni s ASP 28 Cb 0.00 -2.60 -0.02 0.00 -0.30 0.00 0.00 42.92 40.00 2pni s ASP 28 CO 0.00 -0.60 -0.24 -0.63 -0.17 0.00 0.00 175.17 173.53 2pni s ILE 29 N 0.55 1.94 0.09 4.11 1.01 -1.26 -2.19 121.20 125.45 2pni s ILE 29 Ca 0.60 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 60.26 2pni s ILE 29 Cb -0.37 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 2pni s ILE 29 CO 0.35 0.55 0.03 -0.76 0.00 0.00 0.00 174.94 175.11 2pni s LEU 30 N -0.46 3.60 0.13 2.97 1.02 -0.78 -4.59 118.68 120.58 2pni s LEU 30 Ca 0.06 -0.12 0.07 0.00 0.02 0.00 0.00 54.13 54.16 2pni s LEU 30 Cb -0.11 -2.31 -0.04 0.00 0.02 0.00 0.00 46.19 43.76 2pni s LEU 30 CO 0.00 0.17 -0.16 -0.89 0.02 0.00 0.00 176.35 175.49 2pni s THR 31 N -1.36 1.52 0.36 5.49 2.01 -0.78 -2.08 115.64 120.80 2pni s THR 31 Ca 0.27 -1.72 0.04 0.00 0.31 0.00 0.00 61.69 60.58 2pni s THR 31 Cb -0.12 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 2pni s THR 31 CO 0.20 -0.32 0.12 -0.69 -0.69 0.00 0.00 174.62 173.24 2pni s VAL 32 N -1.91 0.64 0.83 3.82 1.01 -0.66 -1.07 120.40 123.06 2pni s VAL 32 Ca 0.10 -2.00 -0.11 0.00 0.00 0.00 0.00 61.98 59.97 2pni s VAL 32 Cb -0.06 -2.49 0.09 0.00 0.00 0.00 0.00 36.38 33.91 2pni s VAL 32 CO 0.04 0.00 1.09 0.21 0.00 0.00 0.00 175.10 176.44 2pni s ASN 33 N -3.51 4.17 0.64 3.32 3.84 -1.26 -3.78 114.94 118.35 2pni s ASN 33 Ca 0.30 1.46 0.42 0.00 0.21 0.00 0.00 52.86 55.24 2pni s ASN 33 Cb 0.05 -2.18 2.20 0.00 -0.55 0.00 0.00 41.25 40.77 2pni s ASN 33 CO 0.16 -2.20 2.30 0.07 -2.79 0.00 0.00 177.10 174.64 2pni h LYS 34 N -1.24 0.00 -0.03 0.43 2.10 -1.90 -3.15 116.57 112.77 2pni h LYS 34 Ca -0.47 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.01 2pni h LYS 34 Cb 1.27 0.00 -0.31 0.00 -0.90 0.00 0.00 32.23 32.29 2pni h LYS 34 CO 0.56 0.00 -0.81 0.41 -2.00 0.00 0.00 179.45 177.62 2pni n GLY 35 N -0.89 0.95 0.00 0.07 0.00 -1.26 -4.90 105.19 99.16 2pni n GLY 35 Ca -0.02 -0.60 0.02 0.00 0.00 0.00 0.00 46.02 45.41 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 0.21 0.00 -0.29 1.61 3.41 -1.19 -2.11 113.62 115.26 2pni n SER 36 Ca -0.04 -1.23 -0.02 0.00 -0.26 0.00 0.00 58.87 57.31 2pni n SER 36 Cb 0.99 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 65.03 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 0.85 -0.01 1.04 3.38 -1.90 -3.03 115.31 115.64 2pni h LEU 37 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2pni h LEU 37 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2pni h LEU 37 CO 0.00 0.59 -0.09 0.52 0.09 0.00 0.00 178.44 179.54 2pni n VAL 38 N -4.59 0.00 -0.40 1.22 0.31 -0.90 -2.46 118.33 111.52 2pni n VAL 38 Ca 0.09 -0.00 0.33 0.00 -0.01 0.00 0.00 64.34 64.75 2pni n VAL 38 Cb 0.08 -0.35 0.60 0.00 -0.91 0.00 0.00 33.84 33.27 2pni n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pni h ALA 39 N 3.06 2.50 -0.01 3.52 0.00 -1.66 -1.28 119.26 125.38 2pni h ALA 39 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2pni h ALA 39 Cb 0.48 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2pni h ALA 39 CO 0.00 -1.13 -0.01 1.28 0.00 0.00 0.00 179.25 179.39 2pni n LEU 40 N -4.82 1.41 -2.09 0.00 4.77 -1.22 -4.99 117.00 110.06 2pni n LEU 40 Ca 0.36 -0.98 -0.16 0.00 -0.03 0.00 0.00 56.01 55.20 2pni n LEU 40 Cb 1.30 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.41 2pni n LEU 40 CO 0.17 0.30 -0.06 0.61 -1.33 0.00 0.00 177.39 177.07 2pni n GLY 41 N 0.34 -0.21 3.74 -0.72 0.00 -0.48 -4.97 105.19 102.89 2pni n GLY 41 Ca 0.03 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.93 2.20 0.00 1.61 0.08 -1.03 -4.99 117.98 112.92 2pni s PHE 42 Ca 0.15 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.70 2pni s PHE 42 Cb -0.07 -3.60 0.00 0.00 -0.57 0.00 0.00 43.02 38.78 2pni s PHE 42 CO 0.19 -2.63 0.00 0.45 -0.10 0.00 0.00 175.22 173.13 2pni n SER 43 N -1.80 0.00 -4.48 1.36 2.88 -1.26 -4.84 113.62 105.48 2pni n SER 43 Ca 0.15 0.00 -0.56 0.00 -1.33 0.00 0.00 58.87 57.13 2pni n SER 43 Cb 0.49 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.88 2pni n SER 43 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2pni n ASP 44 N 0.00 -0.20 0.00 -3.46 -0.08 -1.26 -4.93 116.55 106.63 2pni n ASP 44 Ca 0.00 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.43 2pni n ASP 44 Cb 0.00 -0.95 0.00 0.00 2.34 0.00 0.00 41.12 42.51 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 1.67 0.24 0.00 0.27 0.00 -1.26 -5.00 105.19 101.11 2pni n GLY 45 Ca 0.19 0.64 0.01 0.00 0.00 0.00 0.00 46.02 46.87 2pni n GLY 45 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2pni n GLN 46 N 0.00 0.08 -0.88 1.61 0.00 -1.26 -4.77 117.38 112.16 2pni n GLN 46 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.00 57.04 2pni n GLN 46 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.74 2pni n GLN 46 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2pni n GLU 47 N -1.04 -0.42 -0.33 3.69 0.00 -1.26 -4.77 120.64 116.52 2pni n GLU 47 Ca 0.02 0.10 0.08 0.00 0.00 0.00 0.00 57.16 57.36 2pni n GLU 47 Cb 0.01 -3.64 0.14 0.00 0.00 0.00 0.00 31.44 27.95 2pni n GLU 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2pni n ALA 48 N 1.00 2.65 -3.27 4.31 0.00 -1.26 -4.82 120.51 119.12 2pni n ALA 48 Ca 0.00 -2.66 -0.25 0.00 0.00 0.00 0.00 53.44 50.53 2pni n ALA 48 Cb 0.10 -0.40 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 2pni n ALA 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2pni n LYS 49 N -1.13 1.63 0.29 0.00 3.00 -1.26 -4.90 118.16 115.79 2pni n LYS 49 Ca 0.15 -3.92 0.17 0.00 -0.00 0.00 0.00 58.31 54.71 2pni n LYS 49 Cb 0.68 -1.73 0.97 0.00 0.00 0.00 0.00 35.03 34.95 2pni n LYS 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2pni h PRO 50 N 3.93 0.00 -0.12 1.64 0.11 -1.86 -2.29 132.00 133.42 2pni h PRO 50 Ca 0.13 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.25 2pni h PRO 50 Cb 0.77 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 2pni h PRO 50 CO 0.64 0.00 0.05 0.93 -0.21 0.00 0.00 178.00 179.41 2pni h GLU 51 N 0.00 0.11 0.07 1.05 5.08 -1.91 -3.27 114.58 115.70 2pni h GLU 51 Ca 0.01 -0.01 -0.33 0.00 -1.00 0.00 0.00 59.36 58.04 2pni h GLU 51 Cb 0.10 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2pni h GLU 51 CO -0.00 0.07 -1.85 -0.85 -1.00 0.00 0.00 179.01 175.38 2pni n GLU 52 N -5.05 0.70 -1.92 2.33 0.28 -1.10 -4.82 120.64 111.06 2pni n GLU 52 Ca -0.05 0.28 -0.42 0.00 -0.16 0.00 0.00 57.16 56.82 2pni n GLU 52 Cb 0.05 -1.75 -0.03 0.00 1.43 0.00 0.00 31.44 31.13 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 -2.58 2.60 0.00 3.84 1.01 -0.88 -4.97 121.20 120.22 2pni s ILE 53 Ca -0.14 0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.94 2pni s ILE 53 Cb 0.07 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.27 2pni s ILE 53 CO 0.80 0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.38 2pni n GLY 54 N 3.77 0.83 3.66 6.18 0.00 -1.26 -4.11 105.19 114.27 2pni n GLY 54 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 3.33 0.02 1.61 0.52 -1.26 0.38 118.94 123.54 2pni s TRP 55 Ca 0.00 0.34 0.03 0.00 0.02 0.00 0.00 56.10 56.50 2pni s TRP 55 Cb 0.00 -2.35 -0.02 0.00 -1.15 0.00 0.00 33.47 29.95 2pni s TRP 55 CO 0.00 0.03 -0.11 -0.48 0.02 0.00 0.00 176.95 176.42 2pni s LEU 56 N 1.17 2.14 0.15 2.99 2.34 -0.98 -4.99 118.68 121.50 2pni s LEU 56 Ca 0.11 -0.37 -0.09 0.00 0.06 0.00 0.00 54.13 53.84 2pni s LEU 56 Cb -0.14 -0.44 -0.06 0.00 -0.56 0.00 0.00 46.19 44.98 2pni s LEU 56 CO 0.06 0.01 0.46 0.21 -1.06 0.00 0.00 176.35 176.03 2pni s ASN 57 N -0.90 6.63 0.04 1.48 3.04 -1.26 -2.43 114.94 121.52 2pni s ASN 57 Ca -0.00 0.82 -0.25 0.00 0.04 0.00 0.00 52.86 53.47 2pni s ASN 57 Cb -0.07 -2.19 0.06 0.00 -1.54 0.00 0.00 41.25 37.52 2pni s ASN 57 CO 0.01 0.05 0.57 -0.83 -3.04 0.00 0.00 177.10 173.86 2pni s GLY 58 N -2.11 -0.50 -0.21 1.21 0.00 -0.76 -4.89 107.32 100.05 2pni s GLY 58 Ca 0.40 0.78 -0.20 0.00 0.00 0.00 0.00 44.72 45.70 2pni s GLY 58 CO 0.21 0.46 0.62 -0.47 0.00 0.00 0.00 173.10 173.92 2pni s TYR 59 N -2.27 3.35 -1.15 1.90 6.14 -0.24 -2.19 117.35 122.89 2pni s TYR 59 Ca -0.06 0.89 -0.06 0.00 0.64 0.00 0.00 57.07 58.48 2pni s TYR 59 Cb -0.01 -2.80 0.26 0.00 0.42 0.00 0.00 41.96 39.83 2pni s TYR 59 CO -0.00 -0.21 1.63 -1.71 0.64 0.00 0.00 175.55 175.90 2pni n ASN 60 N 5.22 6.05 0.03 4.32 5.15 0.02 -1.86 115.26 134.19 2pni n ASN 60 Ca -0.01 -3.32 0.22 0.00 -0.60 0.00 0.00 54.58 50.86 2pni n ASN 60 Cb 0.49 -1.34 0.73 0.00 -0.53 0.00 0.00 39.78 39.14 2pni n ASN 60 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2pni h GLU 61 N 5.48 0.00 -0.31 1.20 5.08 -1.82 -1.46 114.58 122.75 2pni h GLU 61 Ca 0.28 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.71 2pni h GLU 61 Cb 0.61 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 2pni h GLU 61 CO 1.43 0.00 -0.18 1.79 -1.00 0.00 0.00 179.01 181.05 2pni h THR 62 N 0.00 0.48 -0.11 1.13 1.35 -1.88 -1.50 112.91 112.38 2pni h THR 62 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.11 2pni h THR 62 Cb 1.24 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2pni h THR 62 CO -0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 2pni n THR 63 N -5.35 0.13 -2.34 6.82 -2.24 -0.61 -4.92 114.28 105.77 2pni n THR 63 Ca 0.01 -0.36 -0.16 0.00 -2.27 0.00 0.00 64.05 61.27 2pni n THR 63 Cb 0.26 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 69.06 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 1.20 -0.28 3.53 3.38 0.00 -0.57 -4.99 105.19 107.46 2pni n GLY 64 Ca 0.17 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.84 1.96 -0.01 1.61 2.02 -0.93 -4.96 118.70 113.55 2pni s GLU 65 Ca 0.02 -2.20 -0.07 0.00 0.02 0.00 0.00 54.97 52.74 2pni s GLU 65 Cb -0.01 -0.67 0.00 0.00 0.10 0.00 0.00 34.13 33.56 2pni s GLU 65 CO 0.02 -0.48 0.14 -0.98 0.02 0.00 0.00 175.26 173.98 2pni s ARG 66 N -3.71 0.41 0.00 1.61 1.70 -1.26 -0.80 118.95 116.90 2pni s ARG 66 Ca 0.22 -0.26 0.00 0.00 -0.47 0.00 0.00 55.73 55.22 2pni s ARG 66 Cb 0.02 0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.58 2pni s ARG 66 CO 0.14 -0.09 0.00 0.41 -1.08 0.00 0.00 175.30 174.68 2pni n GLY 67 N 1.81 0.90 3.93 3.88 0.00 -0.93 -4.90 105.19 109.88 2pni n GLY 67 Ca -0.20 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 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 1.10 6.38 0.01 1.61 1.11 -1.20 -1.83 116.67 123.84 2pni s ASP 68 Ca 0.00 0.31 -0.21 0.00 0.18 0.00 0.00 52.55 52.83 2pni s ASP 68 Cb 0.00 -1.97 0.04 0.00 1.07 0.00 0.00 42.92 42.06 2pni s ASP 68 CO 0.00 0.06 0.46 0.72 1.18 0.00 0.00 175.17 177.60 2pni s PHE 69 N -1.69 -0.36 0.97 4.23 -0.71 -1.02 -4.07 117.98 115.34 2pni s PHE 69 Ca 0.36 0.46 -0.12 0.00 -1.04 0.00 0.00 56.93 56.60 2pni s PHE 69 Cb -0.12 0.25 0.17 0.00 -1.21 0.00 0.00 43.02 42.12 2pni s PHE 69 CO 0.28 -0.55 1.09 -1.25 -1.34 0.00 0.00 175.22 173.44 2pni s PRO 70 N -1.96 0.62 0.00 1.99 0.04 -1.26 -2.31 135.00 132.11 2pni s PRO 70 Ca -0.08 0.96 0.26 0.00 0.04 0.00 0.00 61.00 62.18 2pni s PRO 70 Cb -0.02 -1.72 0.71 0.00 0.04 0.00 0.00 34.50 33.51 2pni s PRO 70 CO 0.02 -2.72 1.54 0.41 0.04 0.00 0.00 177.00 176.29 2pni n GLY 71 N -0.36 -0.08 0.11 0.56 0.00 0.16 -4.36 105.19 101.22 2pni n GLY 71 Ca 0.07 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 2pni n GLY 71 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pni n THR 72 N 0.01 1.53 0.99 2.61 -2.24 -1.26 -4.11 114.28 111.80 2pni n THR 72 Ca 0.15 -0.74 0.09 0.00 -2.27 0.00 0.00 64.05 61.28 2pni n THR 72 Cb 0.40 -1.03 0.30 0.00 -2.10 0.00 0.00 70.33 67.89 2pni n THR 72 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2pni n TYR 73 N -3.06 0.33 -4.45 4.78 4.01 -1.26 -4.89 117.16 112.62 2pni n TYR 73 Ca -0.33 -0.17 -0.22 0.00 -0.16 0.00 0.00 57.90 57.03 2pni n TYR 73 Cb 1.08 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 40.05 2pni n TYR 73 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 2pni n VAL 74 N 0.54 0.00 -3.54 -0.72 0.24 -1.26 -1.64 118.33 111.94 2pni n VAL 74 Ca 0.16 -1.94 -0.10 0.00 -2.04 0.00 0.00 64.34 60.41 2pni n VAL 74 Cb 0.36 0.63 -0.10 0.00 -1.47 0.00 0.00 33.84 33.26 2pni n VAL 74 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2pni s GLU 75 N -3.31 0.29 0.06 7.34 2.12 0.06 -4.65 118.70 120.61 2pni s GLU 75 Ca 0.13 0.75 -0.37 0.00 0.36 0.00 0.00 54.97 55.85 2pni s GLU 75 Cb 0.01 -0.12 -0.16 0.00 0.26 0.00 0.00 34.13 34.12 2pni s GLU 75 CO 0.09 -0.42 1.42 0.98 -0.54 0.00 0.00 175.26 176.80 2pni n TYR 76 N 5.37 1.69 -0.10 5.30 9.36 -1.26 -0.90 117.16 136.62 2pni n TYR 76 Ca -0.06 0.56 -0.17 0.00 3.32 0.00 0.00 57.90 61.54 2pni n TYR 76 Cb 0.50 -2.38 -0.06 0.00 -0.63 0.00 0.00 39.34 36.77 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 2.90 1.39 -3.85 2.97 -5.35 -1.05 -4.87 119.36 111.50 2pni n ILE 77 Ca 0.19 -0.10 -0.07 0.00 -0.27 0.00 0.00 62.75 62.50 2pni n ILE 77 Cb 0.20 -2.03 -0.01 0.00 -1.74 0.00 0.00 39.64 36.06 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 -5.13 0.01 -0.06 3.28 0.00 -1.23 -5.05 107.32 99.14 2pni s GLY 78 Ca -0.30 -0.41 -0.13 0.00 0.00 0.00 0.00 44.72 43.88 2pni s GLY 78 CO 0.40 -0.14 0.32 1.09 0.00 0.00 0.00 173.10 174.76 2pni s ARG 79 N -3.57 0.56 -0.69 2.90 3.03 -1.26 -1.78 118.95 118.14 2pni s ARG 79 Ca 0.12 0.05 -0.27 0.00 2.03 0.00 0.00 55.73 57.66 2pni s ARG 79 Cb -0.06 0.26 0.02 0.00 -1.03 0.00 0.00 34.95 34.14 2pni s ARG 79 CO 0.08 -0.13 1.37 -1.59 -1.13 0.00 0.00 175.30 173.90 2pni s LYS 80 N -0.77 3.14 -0.87 3.89 -2.85 -1.24 -4.93 119.74 116.12 2pni s LYS 80 Ca -0.09 -0.01 -0.23 0.00 -1.00 0.00 0.00 55.97 54.64 2pni s LYS 80 Cb -0.04 -4.19 -0.21 0.00 -2.06 0.00 0.00 37.83 31.32 2pni s LYS 80 CO 0.03 -2.18 2.43 0.36 0.10 0.00 0.00 175.35 176.09 2pni n LYS 81 N 9.22 0.29 -3.88 1.78 2.85 -1.26 -4.92 118.16 122.24 2pni n LYS 81 Ca 0.07 -0.15 -0.36 0.00 -1.05 0.00 0.00 58.31 56.82 2pni n LYS 81 Cb 0.49 -2.10 -0.06 0.00 -0.65 0.00 0.00 35.03 32.72 2pni n LYS 81 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 2pni s ILE 82 N 7.96 5.50 0.10 0.58 -1.16 -1.26 -5.11 121.20 127.80 2pni s ILE 82 Ca 1.20 0.16 -0.02 0.00 -0.51 0.00 0.00 60.65 61.48 2pni s ILE 82 Cb -0.74 -3.42 -0.04 0.00 0.61 0.00 0.00 42.46 38.87 2pni s ILE 82 CO 0.40 0.57 0.04 -0.44 -2.81 0.00 0.00 174.94 172.70 2pni s SER 83 N -1.17 0.36 0.00 4.50 0.01 -1.26 -5.15 113.70 110.99 2pni s SER 83 Ca 0.17 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2pni s SER 83 Cb -0.12 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.38 2pni s SER 83 CO 0.06 -0.69 0.44 -0.81 0.41 0.00 0.00 173.24 172.66