#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 -0.49 0.00 1.61 0.15 -1.26 -5.01 113.70 108.70 2pni s SER 1 Ca 0.00 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.29 2pni s SER 1 Cb 0.00 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2pni s SER 1 CO 0.00 -0.44 0.00 0.80 1.20 0.00 0.00 173.24 174.80 2pni n MET 1 N 1.57 0.00 -3.39 5.44 1.56 -1.26 -5.05 117.12 115.99 2pni n MET 1 Ca -0.18 0.00 -0.27 0.00 -0.27 0.00 0.00 57.70 56.98 2pni n MET 1 Cb 0.56 -0.05 -0.10 0.00 2.15 0.00 0.00 33.22 35.79 2pni n MET 1 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2pni s SER 2 N -2.41 1.43 0.01 6.12 0.01 -1.26 -5.10 113.70 112.50 2pni s SER 2 Ca 0.00 -3.05 -0.29 0.00 1.31 0.00 0.00 55.95 53.92 2pni s SER 2 Cb 0.00 -0.43 0.07 0.00 0.21 0.00 0.00 66.02 65.87 2pni s SER 2 CO 0.00 -0.17 0.68 0.00 0.41 0.00 0.00 173.24 174.16 2pni s ALA 3 N 0.08 -1.73 -0.46 1.44 0.00 -1.26 -4.89 121.76 114.94 2pni s ALA 3 Ca 0.33 1.08 0.06 0.00 0.00 0.00 0.00 51.96 53.43 2pni s ALA 3 Cb 0.03 0.24 0.18 0.00 0.00 0.00 0.00 23.12 23.57 2pni s ALA 3 CO -0.20 -0.49 0.58 -1.21 0.00 0.00 0.00 175.76 174.44 2pni s GLU 4 N -1.99 0.93 0.00 0.00 2.02 -1.26 -4.97 118.70 113.42 2pni s GLU 4 Ca -0.07 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 53.84 2pni s GLU 4 Cb -0.00 -0.39 0.00 0.00 0.10 0.00 0.00 34.13 33.84 2pni s GLU 4 CO 0.02 -1.29 0.00 0.41 0.02 0.00 0.00 175.26 174.42 2pni n GLY 5 N 3.40 1.99 2.93 -1.39 0.00 -1.26 -0.21 105.19 110.64 2pni n GLY 5 Ca 0.18 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 2pni n GLY 5 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pni n TYR 6 N 1.91 0.13 -3.81 1.61 4.01 -1.25 -2.98 117.16 116.78 2pni n TYR 6 Ca 0.00 -2.28 -0.09 0.00 -0.16 0.00 0.00 57.90 55.36 2pni n TYR 6 Cb 0.00 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 38.96 2pni n TYR 6 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2pni s GLN 7 N -3.36 1.05 -0.01 -0.72 -0.21 -0.86 -2.22 119.66 113.34 2pni s GLN 7 Ca 0.18 -0.94 0.03 0.00 0.02 0.00 0.00 55.36 54.65 2pni s GLN 7 Cb 0.01 0.41 -0.01 0.00 1.00 0.00 0.00 33.01 34.42 2pni s GLN 7 CO 0.13 -0.39 -0.11 0.71 -2.12 0.00 0.00 175.29 173.51 2pni s TYR 8 N -3.88 0.96 -0.19 0.91 2.02 -0.95 -2.57 117.35 113.65 2pni s TYR 8 Ca 0.08 -0.18 -0.19 0.00 -0.37 0.00 0.00 57.07 56.41 2pni s TYR 8 Cb 0.03 -0.62 -0.03 0.00 -0.40 0.00 0.00 41.96 40.94 2pni s TYR 8 CO -0.07 -0.02 0.55 1.03 -1.57 0.00 0.00 175.55 175.47 2pni s ARG 9 N -0.25 4.21 -0.05 -0.62 0.52 -0.15 -1.85 118.95 120.76 2pni s ARG 9 Ca 0.04 0.48 -0.34 0.00 -0.52 0.00 0.00 55.73 55.39 2pni s ARG 9 Cb -0.04 -3.55 -0.12 0.00 0.52 0.00 0.00 34.95 31.76 2pni s ARG 9 CO -0.00 -0.15 1.84 0.00 0.02 0.00 0.00 175.30 177.01 2pni n ALA 10 N 4.75 1.00 -0.02 2.13 0.00 -1.05 -0.63 120.51 126.70 2pni n ALA 10 Ca -0.04 0.30 -0.01 0.00 0.00 0.00 0.00 53.44 53.69 2pni n ALA 10 Cb 0.50 -2.49 -0.00 0.00 0.00 0.00 0.00 19.45 17.46 2pni n ALA 10 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2pni n LEU 11 N 6.23 0.37 -4.81 0.00 0.00 -0.41 -4.51 117.00 113.87 2pni n LEU 11 Ca 0.22 0.27 -0.38 0.00 0.00 0.00 0.00 56.01 56.12 2pni n LEU 11 Cb 0.30 -0.57 -0.06 0.00 0.00 0.00 0.00 43.42 43.09 2pni n LEU 11 CO 0.72 -0.49 0.05 -0.31 0.00 0.00 0.00 177.39 177.36 2pni s TYR 12 N -1.28 3.64 -0.85 1.96 2.02 -0.99 -4.84 117.35 117.02 2pni s TYR 12 Ca -0.04 0.85 -0.25 0.00 -0.37 0.00 0.00 57.07 57.26 2pni s TYR 12 Cb 0.00 -2.28 -0.05 0.00 -0.40 0.00 0.00 41.96 39.23 2pni s TYR 12 CO 0.05 0.54 2.00 0.34 -1.57 0.00 0.00 175.55 176.91 2pni s ASP 13 N -0.63 5.00 -0.09 2.29 2.15 -1.26 -4.75 116.67 119.38 2pni s ASP 13 Ca 0.21 -0.46 -0.16 0.00 0.43 0.00 0.00 52.55 52.57 2pni s ASP 13 Cb -0.15 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 39.87 2pni s ASP 13 CO 0.10 -2.84 0.43 -0.47 -0.17 0.00 0.00 175.17 172.22 2pni s TYR 14 N 10.54 3.57 0.48 -5.34 5.04 0.26 -4.95 117.35 126.95 2pni s TYR 14 Ca 0.73 0.87 -0.02 0.00 -2.44 0.00 0.00 57.07 56.21 2pni s TYR 14 Cb -0.08 -2.44 -0.01 0.00 0.35 0.00 0.00 41.96 39.78 2pni s TYR 14 CO 0.03 0.32 0.74 0.15 -1.34 0.00 0.00 175.55 175.45 2pni s LYS 15 N 0.08 3.17 -0.33 4.97 1.02 -1.26 -1.28 119.74 126.10 2pni s LYS 15 Ca 0.24 -0.20 -0.22 0.00 0.02 0.00 0.00 55.97 55.81 2pni s LYS 15 Cb -0.15 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 2pni s LYS 15 CO 0.10 -0.32 0.70 -1.59 -0.92 0.00 0.00 175.35 173.32 2pni s LYS 16 N -4.68 3.82 0.10 1.68 -2.85 -1.26 -4.85 119.74 111.70 2pni s LYS 16 Ca 0.49 0.30 0.24 0.00 -1.00 0.00 0.00 55.97 56.00 2pni s LYS 16 Cb -0.10 -3.77 0.33 0.00 -2.06 0.00 0.00 37.83 32.23 2pni s LYS 16 CO 0.41 -0.70 1.30 -1.91 0.10 0.00 0.00 175.35 174.55 2pni n GLU 17 N 6.11 0.27 -3.91 1.78 2.13 -1.26 -4.92 120.64 120.84 2pni n GLU 17 Ca 0.01 0.07 -0.09 0.00 0.66 0.00 0.00 57.16 57.80 2pni n GLU 17 Cb 0.48 -1.66 -0.09 0.00 0.27 0.00 0.00 31.44 30.45 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 -3.16 0.63 0.52 5.31 6.06 -1.26 -5.04 118.95 122.02 2pni s ARG 18 Ca 0.06 -0.76 0.25 0.00 -2.50 0.00 0.00 55.73 52.78 2pni s ARG 18 Cb 0.14 0.25 1.43 0.00 0.06 0.00 0.00 34.95 36.83 2pni s ARG 18 CO 0.73 -0.17 2.10 0.93 -2.50 0.00 0.00 175.30 176.39 2pni h GLU 19 N 3.51 0.00 0.00 5.12 5.08 -2.02 -1.59 114.58 124.68 2pni h GLU 19 Ca -0.33 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 2pni h GLU 19 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2pni h GLU 19 CO 0.51 0.10 -0.05 1.49 -1.00 0.00 0.00 179.01 180.07 2pni h GLU 20 N 0.00 0.00 -6.33 2.33 4.57 -1.96 -3.43 114.58 109.76 2pni h GLU 20 Ca -0.00 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.56 2pni h GLU 20 Cb 0.25 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 28.73 2pni h GLU 20 CO 0.01 0.05 -0.65 -0.51 -1.18 0.00 0.00 179.01 176.73 2pni s ASP 21 N -6.76 4.98 0.50 1.04 1.11 -0.60 -1.13 116.67 115.81 2pni s ASP 21 Ca -0.05 -0.26 0.05 0.00 0.18 0.00 0.00 52.55 52.48 2pni s ASP 21 Cb 0.16 -1.15 0.00 0.00 1.07 0.00 0.00 42.92 43.00 2pni s ASP 21 CO 0.64 0.13 0.26 0.27 1.18 0.00 0.00 175.17 177.64 2pni s ILE 22 N -1.52 1.74 0.26 0.77 -4.36 -1.25 -4.68 121.20 112.15 2pni s ILE 22 Ca 0.27 -1.65 -0.30 0.00 -0.26 0.00 0.00 60.65 58.71 2pni s ILE 22 Cb -0.11 -2.39 -0.09 0.00 1.25 0.00 0.00 42.46 41.12 2pni s ILE 22 CO 0.19 0.00 1.26 -1.81 0.24 0.00 0.00 174.94 174.82 2pni s ASP 23 N -4.09 6.95 -0.45 4.36 1.11 -1.26 -4.28 116.67 119.00 2pni s ASP 23 Ca 0.30 2.45 0.03 0.00 0.18 0.00 0.00 52.55 55.51 2pni s ASP 23 Cb 0.00 -2.63 0.13 0.00 1.07 0.00 0.00 42.92 41.50 2pni s ASP 23 CO 0.18 -0.44 0.24 -0.76 1.18 0.00 0.00 175.17 175.56 2pni s LEU 24 N -0.94 3.15 0.36 1.23 1.43 -0.40 -5.01 118.68 118.49 2pni s LEU 24 Ca 0.51 -2.69 0.07 0.00 -1.03 0.00 0.00 54.13 51.00 2pni s LEU 24 Cb -0.36 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 2pni s LEU 24 CO 0.43 -0.26 0.34 -1.38 0.23 0.00 0.00 176.35 175.71 2pni s HIS 25 N 0.23 2.88 0.90 0.29 -3.43 -1.26 -0.58 115.29 114.32 2pni s HIS 25 Ca 0.17 -0.34 -0.11 0.00 -0.80 0.00 0.00 55.06 53.98 2pni s HIS 25 Cb -0.25 -1.92 0.14 0.00 -1.43 0.00 0.00 32.58 29.12 2pni s HIS 25 CO -0.00 0.08 1.11 -0.51 -2.00 0.00 0.00 174.74 173.41 2pni s LEU 26 N -4.05 2.53 0.00 5.38 1.43 -1.26 -3.27 118.68 119.43 2pni s LEU 26 Ca 0.43 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 2pni s LEU 26 Cb -0.06 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 41.88 2pni s LEU 26 CO 0.27 -2.86 0.00 0.61 0.23 0.00 0.00 176.35 174.60 2pni n GLY 27 N -0.37 2.46 3.77 -3.19 0.00 -1.26 -4.95 105.19 101.65 2pni n GLY 27 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.29 6.53 0.01 1.61 1.11 -1.20 -5.03 116.67 116.41 2pni s ASP 28 Ca 0.00 0.63 0.06 0.00 0.18 0.00 0.00 52.55 53.42 2pni s ASP 28 Cb 0.00 -2.19 -0.03 0.00 1.07 0.00 0.00 42.92 41.77 2pni s ASP 28 CO 0.00 0.19 -0.15 -0.63 1.18 0.00 0.00 175.17 175.76 2pni s ILE 29 N -0.08 3.02 -0.09 0.77 1.01 -1.26 -2.53 121.20 122.03 2pni s ILE 29 Ca 0.19 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 2pni s ILE 29 Cb -0.14 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 2pni s ILE 29 CO 0.07 0.41 0.01 -0.76 0.00 0.00 0.00 174.94 174.67 2pni s LEU 30 N -1.27 3.65 0.02 2.97 1.02 -0.77 -4.62 118.68 119.68 2pni s LEU 30 Ca 0.14 0.16 0.04 0.00 0.02 0.00 0.00 54.13 54.50 2pni s LEU 30 Cb -0.11 -1.84 -0.03 0.00 0.02 0.00 0.00 46.19 44.23 2pni s LEU 30 CO 0.05 0.37 -0.09 -0.89 0.02 0.00 0.00 176.35 175.81 2pni s THR 31 N -0.84 3.46 0.42 5.49 2.01 -0.87 -2.25 115.64 123.07 2pni s THR 31 Ca 0.13 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.28 2pni s THR 31 Cb -0.11 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 2pni s THR 31 CO 0.02 0.36 0.03 0.68 -0.69 0.00 0.00 174.62 175.03 2pni s VAL 32 N -1.00 1.43 0.82 3.82 -7.23 -0.94 -2.56 120.40 114.74 2pni s VAL 32 Ca 0.17 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 2pni s VAL 32 Cb -0.11 -2.63 0.10 0.00 0.56 0.00 0.00 36.38 34.30 2pni s VAL 32 CO 0.08 0.00 1.18 0.21 -0.31 0.00 0.00 175.10 176.26 2pni s ASN 33 N -3.71 4.32 0.02 4.85 2.47 -1.26 -3.92 114.94 117.71 2pni s ASN 33 Ca 0.25 0.65 0.20 0.00 0.42 0.00 0.00 52.86 54.38 2pni s ASN 33 Cb 0.06 -1.09 0.86 0.00 -1.45 0.00 0.00 41.25 39.64 2pni s ASN 33 CO 0.13 -2.00 1.65 2.29 -3.72 0.00 0.00 177.10 175.44 2pni n LYS 34 N -3.34 0.02 -1.31 0.43 2.85 -1.26 -2.97 118.16 112.58 2pni n LYS 34 Ca 0.09 0.17 0.02 0.00 -1.05 0.00 0.00 58.31 57.55 2pni n LYS 34 Cb 0.61 -1.53 0.01 0.00 -0.65 0.00 0.00 35.03 33.46 2pni n LYS 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2pni n GLY 35 N 0.57 0.88 0.00 2.58 0.00 -1.26 -4.80 105.19 103.16 2pni n GLY 35 Ca 0.05 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.51 2pni n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pni n SER 36 N 0.38 0.00 0.04 1.61 2.88 -1.16 -1.56 113.62 115.81 2pni n SER 36 Ca 0.01 0.41 -0.16 0.00 -1.33 0.00 0.00 58.87 57.81 2pni n SER 36 Cb 1.03 -0.46 -0.06 0.00 -0.75 0.00 0.00 64.21 63.97 2pni n SER 36 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2pni h LEU 37 N 0.00 0.73 0.00 2.46 5.85 -1.90 -3.06 115.31 119.39 2pni h LEU 37 Ca 0.00 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.17 2pni h LEU 37 Cb 0.27 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2pni h LEU 37 CO 0.00 1.35 0.00 0.52 -0.34 0.00 0.00 178.44 179.97 2pni n VAL 38 N -3.83 0.28 -0.64 1.05 0.31 -0.60 -4.19 118.33 110.72 2pni n VAL 38 Ca -0.08 0.07 0.49 0.00 -0.01 0.00 0.00 64.34 64.81 2pni n VAL 38 Cb 0.82 -0.64 0.78 0.00 -0.91 0.00 0.00 33.84 33.88 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 2.90 3.55 -0.46 3.52 0.00 -1.33 0.53 119.26 127.98 2pni h ALA 39 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pni h ALA 39 Cb 0.40 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2pni h ALA 39 CO 0.00 -2.16 0.00 1.28 0.00 0.00 0.00 179.25 178.37 2pni n LEU 40 N -4.20 4.07 -3.20 0.00 4.77 -1.26 -4.84 117.00 112.33 2pni n LEU 40 Ca 0.43 -2.06 -0.23 0.00 -0.03 0.00 0.00 56.01 54.13 2pni n LEU 40 Cb 1.88 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 42.42 2pni n LEU 40 CO 0.36 0.58 -0.02 0.61 -1.33 0.00 0.00 177.39 177.59 2pni n GLY 41 N 0.71 -0.50 3.49 -0.72 0.00 0.18 -5.00 105.19 103.35 2pni n GLY 41 Ca 0.20 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.02 0.72 0.24 1.61 0.40 -1.15 -5.05 117.98 111.72 2pni s PHE 42 Ca 0.35 0.81 0.05 0.00 -0.60 0.00 0.00 56.93 57.54 2pni s PHE 42 Cb -0.18 -3.14 -0.03 0.00 0.51 0.00 0.00 43.02 40.18 2pni s PHE 42 CO 0.43 -4.06 0.35 0.45 0.70 0.00 0.00 175.22 173.09 2pni s SER 43 N -3.16 6.26 -0.79 1.36 0.15 -1.26 -4.82 113.70 111.43 2pni s SER 43 Ca 0.68 0.04 -0.27 0.00 0.70 0.00 0.00 55.95 57.11 2pni s SER 43 Cb -0.17 -1.82 -0.17 0.00 -1.71 0.00 0.00 66.02 62.16 2pni s SER 43 CO 0.60 -0.08 2.54 -0.90 1.20 0.00 0.00 173.24 176.60 2pni n ASP 44 N -1.40 1.02 0.00 5.45 5.68 -1.26 -4.83 116.55 121.21 2pni n ASP 44 Ca -0.09 -0.24 0.00 0.00 -0.50 0.00 0.00 54.79 53.97 2pni n ASP 44 Cb 0.57 -1.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 2pni n ASP 44 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pni n GLY 45 N 6.26 0.29 0.00 6.12 0.00 -1.26 -5.06 105.19 111.55 2pni n GLY 45 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 -3.90 1.61 6.02 -1.26 -4.48 117.38 115.37 2pni n GLN 46 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 2pni n GLN 46 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 2pni n GLN 46 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2pni n GLU 47 N 0.00 -0.56 0.00 -1.09 0.28 -1.26 -4.73 120.64 113.28 2pni n GLU 47 Ca 0.00 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 2pni n GLU 47 Cb 0.08 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.39 2pni n GLU 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2pni n ALA 48 N -3.64 0.00 -3.59 -1.84 0.00 -1.26 -4.89 120.51 105.30 2pni n ALA 48 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.06 2pni n ALA 48 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 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 0.00 1.81 0.05 0.00 5.02 -1.26 -4.82 118.16 118.96 2pni n LYS 49 Ca 0.00 -4.29 0.03 0.00 -2.02 0.00 0.00 58.31 52.03 2pni n LYS 49 Cb 0.05 -2.10 0.17 0.00 -0.02 0.00 0.00 35.03 33.13 2pni n LYS 49 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2pni n PRO 50 N 1.57 0.04 -0.21 1.97 -0.02 -1.26 -2.08 135.00 135.01 2pni n PRO 50 Ca 0.25 0.51 -0.09 0.00 -2.02 0.00 0.00 63.50 62.15 2pni n PRO 50 Cb 0.41 -1.69 0.02 0.00 -0.02 0.00 0.00 33.50 32.22 2pni n PRO 50 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2pni h GLU 51 N 0.00 1.03 0.00 -0.52 5.08 -1.92 -3.21 114.58 115.03 2pni h GLU 51 Ca 0.00 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.01 2pni h GLU 51 Cb 0.10 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2pni h GLU 51 CO 0.00 1.00 -1.22 -0.85 -1.00 0.00 0.00 179.01 176.94 2pni n GLU 52 N -4.23 0.62 -2.94 2.33 0.28 -0.88 -4.90 120.64 110.91 2pni n GLU 52 Ca 0.03 0.10 -0.36 0.00 -0.16 0.00 0.00 57.16 56.78 2pni n GLU 52 Cb 0.33 -1.78 -0.06 0.00 1.43 0.00 0.00 31.44 31.35 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 -3.28 4.42 0.00 3.84 1.01 -1.19 -5.03 121.20 120.97 2pni s ILE 53 Ca -0.02 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.11 2pni s ILE 53 Cb 0.10 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.72 2pni s ILE 53 CO 0.81 0.07 0.00 0.61 0.00 0.00 0.00 174.94 176.42 2pni n GLY 54 N 0.35 0.86 3.84 6.18 0.00 -1.26 -4.46 105.19 110.70 2pni n GLY 54 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 3.60 -0.11 1.61 0.52 -1.26 -2.03 118.94 121.26 2pni s TRP 55 Ca 0.00 1.09 0.02 0.00 0.02 0.00 0.00 56.10 57.23 2pni s TRP 55 Cb 0.00 -2.39 0.01 0.00 -1.15 0.00 0.00 33.47 29.94 2pni s TRP 55 CO 0.00 0.40 -0.17 -0.51 0.02 0.00 0.00 176.95 176.70 2pni s LEU 56 N -2.03 1.81 -0.28 2.99 1.02 -0.35 -4.91 118.68 116.94 2pni s LEU 56 Ca 0.39 -0.47 -0.17 0.00 0.02 0.00 0.00 54.13 53.91 2pni s LEU 56 Cb -0.15 -1.17 -0.03 0.00 0.02 0.00 0.00 46.19 44.86 2pni s LEU 56 CO 0.19 0.03 0.46 0.21 0.02 0.00 0.00 176.35 177.26 2pni s ASN 57 N 0.93 6.34 0.00 2.29 3.04 -1.26 -0.78 114.94 125.51 2pni s ASN 57 Ca -0.07 0.35 0.00 0.00 0.04 0.00 0.00 52.86 53.18 2pni s ASN 57 Cb -0.15 -2.25 0.00 0.00 -1.54 0.00 0.00 41.25 37.31 2pni s ASN 57 CO -0.01 -0.27 0.00 0.61 -3.04 0.00 0.00 177.10 174.39 2pni n GLY 58 N 4.57 4.24 2.85 1.21 0.00 -0.87 -4.83 105.19 112.36 2pni n GLY 58 Ca -0.06 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.26 0.16 -1.15 1.61 2.02 -1.06 -2.48 117.35 114.20 2pni s TYR 59 Ca 0.00 0.02 -0.09 0.00 -0.37 0.00 0.00 57.07 56.63 2pni s TYR 59 Cb 0.00 -0.21 0.25 0.00 -0.40 0.00 0.00 41.96 41.60 2pni s TYR 59 CO 0.00 -0.06 1.37 -1.71 -1.57 0.00 0.00 175.55 173.59 2pni n ASN 60 N 3.60 5.67 -0.49 2.29 5.15 -0.28 -2.04 115.26 129.15 2pni n ASN 60 Ca -0.20 -3.14 0.40 0.00 -0.60 0.00 0.00 54.58 51.04 2pni n ASN 60 Cb 0.55 -1.40 0.71 0.00 -0.53 0.00 0.00 39.78 39.11 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 6.29 0.07 -0.27 1.20 5.08 -1.82 0.12 114.58 125.25 2pni h GLU 61 Ca 0.24 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 2pni h GLU 61 Cb 0.77 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 2pni h GLU 61 CO 1.22 0.04 -0.03 1.15 -1.00 0.00 0.00 179.01 180.40 2pni h THR 62 N 0.07 0.77 -0.01 1.13 2.02 -1.88 -1.92 112.91 113.08 2pni h THR 62 Ca 0.79 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.96 2pni h THR 62 Cb 2.78 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 2pni h THR 62 CO -0.22 0.01 -0.29 0.35 0.37 0.00 0.00 175.52 175.74 2pni n THR 63 N -5.19 0.00 -3.09 3.16 -2.24 -0.47 -4.98 114.28 101.47 2pni n THR 63 Ca -0.01 -0.19 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 2pni n THR 63 Cb 0.15 0.69 0.06 0.00 -2.10 0.00 0.00 70.33 69.14 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 1.35 -0.98 3.07 3.38 0.00 0.30 -5.05 105.19 107.26 2pni n GLY 64 Ca 0.12 0.51 -0.09 0.00 0.00 0.00 0.00 46.02 46.56 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 -4.25 0.50 -0.04 1.61 2.02 -0.93 -4.98 118.70 112.63 2pni s GLU 65 Ca 0.41 -0.82 0.04 0.00 0.02 0.00 0.00 54.97 54.62 2pni s GLU 65 Cb -0.05 0.19 -0.00 0.00 0.10 0.00 0.00 34.13 34.36 2pni s GLU 65 CO 0.67 -0.11 -0.15 1.03 0.02 0.00 0.00 175.26 176.73 2pni s ARG 66 N -2.56 1.55 0.00 1.61 0.52 -1.26 -1.13 118.95 117.67 2pni s ARG 66 Ca -0.06 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.64 2pni s ARG 66 Cb -0.02 -1.36 0.00 0.00 0.52 0.00 0.00 34.95 34.09 2pni s ARG 66 CO -0.05 0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.88 2pni n GLY 67 N 3.21 -1.15 3.82 -3.53 0.00 -1.03 -4.81 105.19 101.70 2pni n GLY 67 Ca -0.18 -0.77 -0.22 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 -4.00 5.07 -0.20 1.61 1.11 -0.29 -2.05 116.67 117.92 2pni s ASP 68 Ca 0.00 -0.62 -0.27 0.00 0.18 0.00 0.00 52.55 51.84 2pni s ASP 68 Cb 0.00 -0.84 0.07 0.00 1.07 0.00 0.00 42.92 43.22 2pni s ASP 68 CO 0.00 -0.38 0.71 0.72 1.18 0.00 0.00 175.17 177.40 2pni s PHE 69 N -2.37 -0.75 0.72 4.23 -0.71 0.04 -3.75 117.98 115.41 2pni s PHE 69 Ca 0.41 1.67 -0.14 0.00 -1.04 0.00 0.00 56.93 57.83 2pni s PHE 69 Cb -0.04 0.32 0.04 0.00 -1.21 0.00 0.00 43.02 42.12 2pni s PHE 69 CO 0.25 -0.45 1.15 -1.25 -1.34 0.00 0.00 175.22 173.58 2pni s PRO 70 N -0.13 2.30 -0.38 1.99 0.04 -1.26 -1.21 135.00 136.35 2pni s PRO 70 Ca -0.04 1.54 -0.04 0.00 0.04 0.00 0.00 61.00 62.51 2pni s PRO 70 Cb -0.03 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.65 2pni s PRO 70 CO 0.04 -1.67 2.87 0.41 0.04 0.00 0.00 177.00 178.70 2pni n GLY 71 N -0.12 4.14 0.00 0.56 0.00 -0.86 -4.04 105.19 104.86 2pni n GLY 71 Ca 0.12 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 1.10 0.00 -0.22 2.61 5.66 -1.26 -4.25 114.28 117.92 2pni n THR 72 Ca 0.47 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.56 2pni n THR 72 Cb 0.61 -0.41 0.30 0.00 -1.55 0.00 0.00 70.33 69.27 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 -1.19 1.17 -4.30 1.09 4.01 -1.26 -4.87 117.16 111.81 2pni n TYR 73 Ca 0.00 -0.49 -0.19 0.00 -0.16 0.00 0.00 57.90 57.06 2pni n TYR 73 Cb 0.22 -0.16 -0.08 0.00 -0.31 0.00 0.00 39.34 39.01 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 -1.63 0.04 -0.20 -0.72 -7.23 -1.26 -1.28 120.40 108.11 2pni s VAL 74 Ca 0.44 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.55 2pni s VAL 74 Cb 0.27 -2.49 0.10 0.00 0.56 0.00 0.00 36.38 34.82 2pni s VAL 74 CO 0.23 0.00 0.37 -0.70 -0.31 0.00 0.00 175.10 174.69 2pni s GLU 75 N -3.50 0.29 0.04 4.82 2.12 0.20 -4.66 118.70 118.00 2pni s GLU 75 Ca 0.39 0.80 -0.36 0.00 0.36 0.00 0.00 54.97 56.17 2pni s GLU 75 Cb 0.03 -0.04 -0.15 0.00 0.26 0.00 0.00 34.13 34.23 2pni s GLU 75 CO 0.26 -0.39 1.55 0.98 -0.54 0.00 0.00 175.26 177.12 2pni n TYR 76 N 5.37 1.96 -0.10 5.30 9.36 -1.26 -0.98 117.16 136.82 2pni n TYR 76 Ca -0.06 0.41 -0.16 0.00 3.32 0.00 0.00 57.90 61.40 2pni n TYR 76 Cb 0.50 -2.47 -0.05 0.00 -0.63 0.00 0.00 39.34 36.69 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 3.47 1.45 -3.54 2.97 -5.35 -1.06 -4.86 119.36 112.44 2pni n ILE 77 Ca 0.20 -0.05 -0.08 0.00 -0.27 0.00 0.00 62.75 62.55 2pni n ILE 77 Cb 0.23 -2.11 -0.02 0.00 -1.74 0.00 0.00 39.64 36.00 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 -5.09 -0.44 -0.63 3.28 0.00 -1.25 -5.02 107.32 98.17 2pni s GLY 78 Ca -0.30 0.77 -0.02 0.00 0.00 0.00 0.00 44.72 45.17 2pni s GLY 78 CO 0.42 0.25 2.08 -0.96 0.00 0.00 0.00 173.10 174.89 2pni n ARG 79 N -0.30 2.53 -1.79 2.90 1.85 -1.26 -2.03 116.66 118.56 2pni n ARG 79 Ca -0.09 -2.97 -0.34 0.00 -1.00 0.00 0.00 57.85 53.44 2pni n ARG 79 Cb 0.62 -2.16 -0.03 0.00 -1.05 0.00 0.00 32.46 29.84 2pni n ARG 79 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2pni s LYS 80 N -3.39 2.29 -0.72 2.89 1.02 -1.25 -4.71 119.74 115.87 2pni s LYS 80 Ca 0.56 0.89 -0.32 0.00 0.02 0.00 0.00 55.97 57.12 2pni s LYS 80 Cb 0.44 -4.56 -0.19 0.00 -0.52 0.00 0.00 37.83 33.01 2pni s LYS 80 CO -0.10 -3.17 2.23 1.63 -0.92 0.00 0.00 175.35 175.02 2pni n LYS 81 N 9.06 0.00 -2.91 1.68 4.01 -1.16 -4.37 118.16 124.47 2pni n LYS 81 Ca 0.31 0.00 -0.44 0.00 -0.51 0.00 0.00 58.31 57.68 2pni n LYS 81 Cb 0.52 -1.35 -0.03 0.00 -0.51 0.00 0.00 35.03 33.66 2pni n LYS 81 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 2pni s ILE 82 N 7.03 4.55 0.10 -0.18 1.10 0.70 -4.81 121.20 129.69 2pni s ILE 82 Ca 1.17 -0.95 -0.10 0.00 -0.51 0.00 0.00 60.65 60.26 2pni s ILE 82 Cb -1.22 -4.70 0.00 0.00 0.15 0.00 0.00 42.46 36.69 2pni s ILE 82 CO 0.50 -1.44 0.23 -0.44 -2.11 0.00 0.00 174.94 171.68 2pni s SER 83 N 3.66 0.06 0.00 4.50 0.01 -1.26 -4.82 113.70 115.86 2pni s SER 83 Ca 0.25 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2pni s SER 83 Cb -0.13 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.47 2pni s SER 83 CO 0.01 -0.76 0.44 -0.81 0.41 0.00 0.00 173.24 172.54