#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pph s SER 2 N 0.00 3.62 -0.34 1.69 0.01 -1.26 -5.06 113.70 112.36 2pph s SER 2 Ca 0.00 -0.81 0.01 0.00 1.31 0.00 0.00 55.95 56.46 2pph s SER 2 Cb 0.00 -0.36 0.19 0.00 0.21 0.00 0.00 66.02 66.06 2pph s SER 2 CO 0.00 0.11 0.76 -1.81 0.41 0.00 0.00 173.24 172.71 2pph s ASP 3 N -2.75 -1.18 0.11 2.44 1.01 -1.26 -3.60 116.67 111.44 2pph s ASP 3 Ca 0.22 -0.25 -0.31 0.00 0.71 0.00 0.00 52.55 52.93 2pph s ASP 3 Cb -0.08 1.61 -0.07 0.00 1.01 0.00 0.00 42.92 45.39 2pph s ASP 3 CO 0.11 -0.17 1.27 -0.69 0.21 0.00 0.00 175.17 175.90 2pph s VAL 4 N 2.34 3.65 -0.45 -1.27 1.01 1.00 -4.66 120.40 122.02 2pph s VAL 4 Ca 0.16 1.22 -0.24 0.00 0.00 0.00 0.00 61.98 63.11 2pph s VAL 4 Cb -0.04 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.58 2pph s VAL 4 CO -0.17 0.12 0.86 -0.60 0.00 0.00 0.00 175.10 175.30 2pph s ARG 5 N 0.80 3.50 -0.14 2.72 3.52 -1.26 -1.11 118.95 126.99 2pph s ARG 5 Ca 0.60 0.07 -0.01 0.00 -0.13 0.00 0.00 55.73 56.26 2pph s ARG 5 Cb -0.33 -3.92 -0.02 0.00 -1.56 0.00 0.00 34.95 29.12 2pph s ARG 5 CO 0.31 -1.15 -0.12 0.42 -0.81 0.00 0.00 175.30 173.96 2pph s ILE 6 N 3.51 3.14 -0.25 4.11 1.01 0.12 -3.47 121.20 129.37 2pph s ILE 6 Ca 0.34 -0.63 -0.10 0.00 0.00 0.00 0.00 60.65 60.26 2pph s ILE 6 Cb -0.11 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 2pph s ILE 6 CO 0.24 0.52 0.15 -0.75 0.00 0.00 0.00 174.94 175.10 2pph s LYS 7 N 0.41 3.98 -0.09 2.79 2.20 -0.92 0.29 119.74 128.40 2pph s LYS 7 Ca -0.09 -0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.23 2pph s LYS 7 Cb -0.16 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.61 2pph s LYS 7 CO 0.05 -0.03 -0.16 -0.06 -0.36 0.00 0.00 175.35 174.79 2pph s PHE 8 N 1.29 2.70 -0.05 4.03 0.08 0.99 -3.54 117.98 123.48 2pph s PHE 8 Ca 0.07 -0.56 0.01 0.00 0.12 0.00 0.00 56.93 56.56 2pph s PHE 8 Cb -0.14 -1.74 0.02 0.00 -0.57 0.00 0.00 43.02 40.59 2pph s PHE 8 CO 0.06 -0.13 -0.04 -2.00 -0.10 0.00 0.00 175.22 173.02 2pph s GLU 9 N -0.02 0.86 -0.13 0.44 2.12 -1.24 -0.69 118.70 120.05 2pph s GLU 9 Ca -0.05 -0.09 -0.07 0.00 0.36 0.00 0.00 54.97 55.12 2pph s GLU 9 Cb -0.14 -0.92 0.05 0.00 0.26 0.00 0.00 34.13 33.38 2pph s GLU 9 CO 0.04 -0.12 0.31 -1.58 -0.54 0.00 0.00 175.26 173.37 2pph s HIS 10 N 1.11 -0.42 -1.77 5.30 2.46 -0.79 -3.50 115.29 117.67 2pph s HIS 10 Ca -0.08 0.96 0.00 0.00 0.47 0.00 0.00 55.06 56.41 2pph s HIS 10 Cb -0.14 0.13 0.00 0.00 -0.13 0.00 0.00 32.58 32.44 2pph s HIS 10 CO -0.01 -0.26 0.00 0.09 -2.47 0.00 0.00 174.74 172.09 2pph n ASN 11 N 4.09 -5.82 0.00 9.88 3.02 -1.26 -1.33 115.26 123.84 2pph n ASN 11 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 2pph n ASN 11 Cb 0.54 -4.84 0.00 0.00 -0.61 0.00 0.00 39.78 34.87 2pph n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pph n GLY 12 N -0.99 2.40 3.56 7.41 0.00 -1.26 -5.00 105.19 111.31 2pph n GLY 12 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 2pph n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pph s GLU 13 N -0.36 3.50 -0.11 1.61 2.12 -0.44 -5.02 118.70 119.99 2pph s GLU 13 Ca 0.00 0.13 -0.11 0.00 0.36 0.00 0.00 54.97 55.35 2pph s GLU 13 Cb 0.00 -3.98 -0.05 0.00 0.26 0.00 0.00 34.13 30.36 2pph s GLU 13 CO 0.00 -1.45 0.25 -0.98 -0.54 0.00 0.00 175.26 172.54 2pph s ARG 14 N 4.26 3.88 0.05 4.30 1.70 -1.26 -1.89 118.95 129.98 2pph s ARG 14 Ca 0.39 0.06 -0.13 0.00 -0.47 0.00 0.00 55.73 55.57 2pph s ARG 14 Cb -0.10 -3.29 0.02 0.00 -0.57 0.00 0.00 34.95 31.01 2pph s ARG 14 CO 0.25 0.55 0.29 -0.98 -1.08 0.00 0.00 175.30 174.33 2pph s ARG 15 N -0.45 0.82 -0.19 3.89 1.70 0.14 -5.00 118.95 119.85 2pph s ARG 15 Ca 0.17 -0.55 -0.00 0.00 -0.47 0.00 0.00 55.73 54.87 2pph s ARG 15 Cb -0.13 0.35 0.01 0.00 -0.57 0.00 0.00 34.95 34.61 2pph s ARG 15 CO 0.06 -0.26 -0.16 0.42 -1.08 0.00 0.00 175.30 174.27 2pph s ILE 16 N -2.70 2.41 -0.10 4.99 1.01 -1.26 -0.01 121.20 125.55 2pph s ILE 16 Ca -0.04 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.82 2pph s ILE 16 Cb -0.00 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 2pph s ILE 16 CO -0.04 0.51 -0.20 -0.63 0.00 0.00 0.00 174.94 174.58 2pph s ILE 17 N 1.33 2.50 -0.14 2.92 1.01 0.15 -4.95 121.20 124.02 2pph s ILE 17 Ca 0.05 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 2pph s ILE 17 Cb -0.13 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 2pph s ILE 17 CO -0.10 0.55 0.15 0.00 0.00 0.00 0.00 174.94 175.54 2pph s ALA 18 N 0.13 3.82 -0.09 9.38 0.00 -1.26 -0.70 121.76 133.03 2pph s ALA 18 Ca -0.10 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.24 2pph s ALA 18 Cb -0.16 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 20.93 2pph s ALA 18 CO 0.06 0.48 -0.11 -0.06 0.00 0.00 0.00 175.76 176.13 2pph s PHE 19 N -0.62 1.50 0.31 0.00 0.08 -0.26 -4.90 117.98 114.08 2pph s PHE 19 Ca 0.13 -0.64 -0.29 0.00 0.12 0.00 0.00 56.93 56.25 2pph s PHE 19 Cb -0.12 -1.15 -0.10 0.00 -0.57 0.00 0.00 43.02 41.08 2pph s PHE 19 CO 0.03 -0.38 1.29 -1.54 -0.10 0.00 0.00 175.22 174.52 2pph s SER 20 N 1.08 6.82 0.26 1.36 1.04 -1.25 -0.00 113.70 123.01 2pph s SER 20 Ca -0.07 2.63 -0.12 0.00 0.48 0.00 0.00 55.95 58.87 2pph s SER 20 Cb -0.14 -2.64 -0.08 0.00 0.10 0.00 0.00 66.02 63.25 2pph s SER 20 CO -0.01 -0.50 0.62 -0.13 0.98 0.00 0.00 173.24 174.19 2pph s ARG 21 N -1.58 3.89 -0.11 4.02 0.52 -1.24 -3.07 118.95 121.39 2pph s ARG 21 Ca 0.49 0.44 -0.30 0.00 -0.52 0.00 0.00 55.73 55.85 2pph s ARG 21 Cb -0.39 -2.59 -0.03 0.00 0.52 0.00 0.00 34.95 32.47 2pph s ARG 21 CO 0.50 0.27 1.27 -2.14 0.02 0.00 0.00 175.30 175.22 2pph s PRO 22 N -2.82 4.28 0.01 3.54 0.02 -1.26 -4.74 135.00 134.02 2pph s PRO 22 Ca 0.49 1.71 -0.30 0.00 0.02 0.00 0.00 61.00 62.92 2pph s PRO 22 Cb -0.11 -3.68 -0.06 0.00 0.02 0.00 0.00 34.50 30.67 2pph s PRO 22 CO 0.20 -0.61 1.40 0.54 -0.33 0.00 0.00 177.00 178.20 2pph s VAL 23 N 2.96 3.69 -0.15 3.83 0.11 -1.18 -5.00 120.40 124.66 2pph s VAL 23 Ca 0.57 1.08 -0.14 0.00 -2.93 0.00 0.00 61.98 60.56 2pph s VAL 23 Cb -0.24 -3.70 -0.05 0.00 -1.53 0.00 0.00 36.38 30.87 2pph s VAL 23 CO 0.19 0.00 0.31 -0.54 -3.33 0.00 0.00 175.10 171.72 2pph s LYS 24 N 2.35 4.25 0.31 1.54 1.02 -1.26 -4.98 119.74 122.97 2pph s LYS 24 Ca 0.64 0.12 0.03 0.00 0.02 0.00 0.00 55.97 56.78 2pph s LYS 24 Cb -0.32 -3.42 0.61 0.00 -0.52 0.00 0.00 37.83 34.18 2pph s LYS 24 CO 0.27 0.25 1.89 -0.92 -0.92 0.00 0.00 175.35 175.91 2pph h TYR 25 N 6.63 1.00 -0.57 3.18 5.03 -1.97 -1.39 116.97 128.86 2pph h TYR 25 Ca -0.41 0.03 0.01 0.00 2.58 0.00 0.00 58.73 60.93 2pph h TYR 25 Cb 1.17 -0.32 -0.03 0.00 1.55 0.00 0.00 36.73 39.09 2pph h TYR 25 CO 0.61 0.47 0.38 0.93 -1.32 0.00 0.00 178.16 179.22 2pph h GLU 26 N 0.93 0.74 -0.50 1.82 5.08 -1.98 0.25 114.58 120.92 2pph h GLU 26 Ca 0.42 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.65 2pph h GLU 26 Cb 0.37 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2pph h GLU 26 CO -0.18 0.49 -0.02 -0.44 -1.00 0.00 0.00 179.01 177.86 2pph h ASP 27 N 0.77 0.89 -0.05 1.42 3.32 -1.72 -0.96 116.42 120.09 2pph h ASP 27 Ca 0.21 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2pph h ASP 27 Cb -0.08 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.23 2pph h ASP 27 CO -0.05 0.99 -0.02 0.58 -1.72 0.00 0.00 179.24 179.02 2pph h VAL 28 N 0.77 1.32 -0.71 -1.35 2.07 -0.98 -2.65 116.25 114.71 2pph h VAL 28 Ca 0.14 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.69 2pph h VAL 28 Cb 0.55 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 2pph h VAL 28 CO 0.03 0.27 0.46 -0.08 0.02 0.00 0.00 177.57 178.27 2pph h GLU 29 N -0.27 0.89 -0.82 1.57 4.81 -0.52 -2.20 114.58 118.03 2pph h GLU 29 Ca 0.01 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2pph h GLU 29 Cb 0.44 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 2pph h GLU 29 CO 0.01 0.59 0.50 0.45 -0.73 0.00 0.00 179.01 179.82 2pph h HIS 30 N 0.91 0.93 -0.15 0.92 3.86 -1.15 0.34 115.15 120.80 2pph h HIS 30 Ca 0.27 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.50 2pph h HIS 30 Cb -0.04 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 2pph h HIS 30 CO -0.03 0.47 0.06 -0.22 0.86 0.00 0.00 177.93 179.07 2pph h LYS 31 N 0.92 0.23 -0.64 2.45 1.63 -1.04 -1.06 116.57 119.06 2pph h LYS 31 Ca 0.36 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.09 2pph h LYS 31 Cb 0.16 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.73 2pph h LYS 31 CO -0.17 0.32 0.29 0.28 -3.45 0.00 0.00 179.45 176.73 2pph h VAL 32 N 0.08 1.22 -0.69 2.00 2.07 -0.99 -0.22 116.25 119.73 2pph h VAL 32 Ca 0.05 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 2pph h VAL 32 Cb 0.18 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2pph h VAL 32 CO -0.00 0.26 0.20 0.74 0.02 0.00 0.00 177.57 178.79 2pph h THR 33 N 0.88 1.25 -0.08 2.57 2.02 -0.85 -1.87 112.91 116.84 2pph h THR 33 Ca 0.22 -0.89 -0.05 0.00 0.77 0.00 0.00 66.41 66.46 2pph h THR 33 Cb 0.14 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2pph h THR 33 CO -0.02 0.34 -0.16 0.74 0.37 0.00 0.00 175.52 176.79 2pph h THR 34 N 1.02 1.41 -0.12 3.16 2.02 -0.89 0.62 112.91 120.12 2pph h THR 34 Ca 0.22 -1.47 0.02 0.00 0.77 0.00 0.00 66.41 65.95 2pph h THR 34 Cb 0.30 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 2pph h THR 34 CO -0.01 0.41 0.02 0.58 0.37 0.00 0.00 175.52 176.90 2pph h VAL 35 N -0.22 0.94 0.00 3.16 2.07 -0.99 -2.95 116.25 118.26 2pph h VAL 35 Ca 0.00 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.39 2pph h VAL 35 Cb 0.75 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2pph h VAL 35 CO 0.04 0.01 -0.78 -0.26 0.02 0.00 0.00 177.57 176.60 2pph h PHE 36 N 0.07 0.00 -0.58 1.57 0.04 -1.43 -3.48 116.94 113.13 2pph h PHE 36 Ca 0.05 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.72 2pph h PHE 36 Cb 0.05 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 2pph h PHE 36 CO -0.12 0.47 -0.12 0.41 -0.60 0.00 0.00 178.31 178.34 2pph n GLY 37 N 1.27 0.39 3.41 -1.45 0.00 0.21 -5.03 105.19 103.99 2pph n GLY 37 Ca -0.01 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 2pph n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pph s GLN 38 N -3.60 1.11 -0.79 1.61 -0.21 -0.96 -5.01 119.66 111.82 2pph s GLN 38 Ca 0.00 -0.26 -0.25 0.00 0.02 0.00 0.00 55.36 54.86 2pph s GLN 38 Cb 0.00 0.51 -0.00 0.00 1.00 0.00 0.00 33.01 34.52 2pph s GLN 38 CO 0.00 -0.42 1.68 -1.25 -2.12 0.00 0.00 175.29 173.17 2pph s PRO 39 N -2.73 2.91 0.04 2.91 0.04 -1.26 -4.40 135.00 132.50 2pph s PRO 39 Ca -0.04 -0.13 -0.01 0.00 0.04 0.00 0.00 61.00 60.87 2pph s PRO 39 Cb -0.00 -4.69 -0.04 0.00 0.04 0.00 0.00 34.50 29.81 2pph s PRO 39 CO -0.04 -2.67 0.19 -0.51 0.04 0.00 0.00 177.00 174.01 2pph s LEU 40 N 7.84 4.33 -0.12 -3.56 1.02 -1.26 -3.78 118.68 123.15 2pph s LEU 40 Ca 0.57 0.28 -0.07 0.00 0.02 0.00 0.00 54.13 54.93 2pph s LEU 40 Cb -0.08 -2.81 -0.04 0.00 0.02 0.00 0.00 46.19 43.28 2pph s LEU 40 CO 0.08 0.20 0.13 -0.62 0.02 0.00 0.00 176.35 176.17 2pph s ASP 41 N -2.30 6.31 -0.53 2.29 -1.08 -1.09 -4.97 116.67 115.30 2pph s ASP 41 Ca 0.32 0.44 -0.23 0.00 -0.52 0.00 0.00 52.55 52.56 2pph s ASP 41 Cb -0.13 -2.03 0.04 0.00 -1.46 0.00 0.00 42.92 39.34 2pph s ASP 41 CO 0.24 0.40 0.88 -0.76 0.52 0.00 0.00 175.17 176.45 2pph s LEU 42 N -0.99 4.24 -0.34 -1.34 1.43 -1.26 -3.68 118.68 116.74 2pph s LEU 42 Ca 0.15 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 2pph s LEU 42 Cb -0.12 -2.80 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 2pph s LEU 42 CO 0.04 -1.14 0.24 -1.00 0.23 0.00 0.00 176.35 174.71 2pph s HIS 43 N 3.68 3.22 -0.17 0.29 3.76 -1.00 -1.41 115.29 123.65 2pph s HIS 43 Ca 0.28 -0.29 -0.17 0.00 -0.15 0.00 0.00 55.06 54.74 2pph s HIS 43 Cb -0.13 -2.47 -0.04 0.00 1.11 0.00 0.00 32.58 31.04 2pph s HIS 43 CO 0.19 -0.39 0.43 -0.47 -0.85 0.00 0.00 174.74 173.64 2pph s TYR 44 N 1.71 3.42 -0.15 1.40 5.04 0.13 -1.54 117.35 127.36 2pph s TYR 44 Ca 0.06 0.71 -0.00 0.00 -2.44 0.00 0.00 57.07 55.40 2pph s TYR 44 Cb -0.17 -2.54 0.04 0.00 0.35 0.00 0.00 41.96 39.64 2pph s TYR 44 CO 0.10 0.05 -0.07 -1.64 -1.34 0.00 0.00 175.55 172.65 2pph s MET 45 N 1.09 1.60 -0.10 4.97 -1.94 -1.26 0.25 119.30 123.91 2pph s MET 45 Ca 0.21 -0.49 -0.27 0.00 -1.71 0.00 0.00 55.69 53.43 2pph s MET 45 Cb -0.15 -1.95 -0.25 0.00 2.01 0.00 0.00 34.83 34.49 2pph s MET 45 CO 0.08 -0.37 0.91 -0.97 -0.01 0.00 0.00 175.02 174.66 2pph h ASN 46 N 8.11 0.07 0.00 3.03 -0.73 -1.89 -3.47 115.58 120.71 2pph h ASN 46 Ca -0.27 -0.87 0.00 0.00 1.87 0.00 0.00 56.30 57.03 2pph h ASN 46 Cb 1.12 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.68 2pph h ASN 46 CO 0.42 0.93 0.00 -3.20 -0.37 0.00 0.00 177.43 175.22 2pph n ASN 47 N -4.60 -1.14 -0.02 1.15 5.15 -1.26 -4.98 115.26 109.56 2pph n ASN 47 Ca -0.10 0.47 0.02 0.00 -0.60 0.00 0.00 54.58 54.37 2pph n ASN 47 Cb 0.47 1.33 -0.09 0.00 -0.53 0.00 0.00 39.78 40.96 2pph n ASN 47 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2pph n GLU 48 N -2.79 1.05 -4.11 1.20 1.02 -1.26 -5.00 120.64 110.75 2pph n GLU 48 Ca 0.00 -0.07 -0.35 0.00 -0.02 0.00 0.00 57.16 56.72 2pph n GLU 48 Cb 0.00 -1.27 -0.07 0.00 -0.02 0.00 0.00 31.44 30.08 2pph n GLU 48 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pph s LEU 49 N -4.14 4.00 -0.16 -4.62 2.01 -1.26 -5.10 118.68 109.40 2pph s LEU 49 Ca -0.05 0.29 -0.03 0.00 0.01 0.00 0.00 54.13 54.36 2pph s LEU 49 Cb 0.06 -2.02 -0.02 0.00 0.01 0.00 0.00 46.19 44.21 2pph s LEU 49 CO 0.46 0.37 -0.06 -0.55 1.01 0.00 0.00 176.35 177.58 2pph s SER 50 N -1.12 4.55 -0.07 2.29 0.15 -1.26 -2.96 113.70 115.28 2pph s SER 50 Ca 0.16 -0.22 0.05 0.00 0.70 0.00 0.00 55.95 56.64 2pph s SER 50 Cb -0.12 -1.74 -0.00 0.00 -1.71 0.00 0.00 66.02 62.45 2pph s SER 50 CO 0.05 0.13 -0.22 -0.63 1.20 0.00 0.00 173.24 173.78 2pph s ILE 51 N 0.56 1.83 -0.09 6.45 1.01 0.14 -5.01 121.20 126.09 2pph s ILE 51 Ca -0.04 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 2pph s ILE 51 Cb -0.15 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 2pph s ILE 51 CO 0.03 0.51 0.34 -0.22 0.00 0.00 0.00 174.94 175.60 2pph s LEU 52 N 0.12 4.36 -0.44 2.97 0.20 -1.26 0.21 118.68 124.84 2pph s LEU 52 Ca -0.10 0.72 -0.17 0.00 0.69 0.00 0.00 54.13 55.27 2pph s LEU 52 Cb -0.15 -2.45 0.03 0.00 -0.43 0.00 0.00 46.19 43.19 2pph s LEU 52 CO 0.05 0.22 0.44 -0.76 -0.29 0.00 0.00 176.35 176.01 2pph s LEU 53 N -0.32 5.00 -0.16 -0.68 1.43 -0.50 -4.88 118.68 118.56 2pph s LEU 53 Ca 0.20 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 2pph s LEU 53 Cb -0.15 -2.35 -0.10 0.00 0.03 0.00 0.00 46.19 43.63 2pph s LEU 53 CO 0.08 -0.62 -0.15 1.17 0.23 0.00 0.00 176.35 177.07 2pph n LYS 54 N 5.58 0.39 -4.54 1.70 3.00 -1.26 -4.41 118.16 118.62 2pph n LYS 54 Ca -0.08 0.10 -0.27 0.00 -0.00 0.00 0.00 58.31 58.06 2pph n LYS 54 Cb 0.47 -1.30 -0.08 0.00 0.00 0.00 0.00 35.03 34.12 2pph n LYS 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2pph s ASN 55 N -5.63 2.96 0.46 3.14 4.22 -1.26 -5.04 114.94 113.80 2pph s ASN 55 Ca -0.22 -1.74 0.13 0.00 -2.14 0.00 0.00 52.86 48.90 2pph s ASN 55 Cb 0.06 0.61 1.06 0.00 1.28 0.00 0.00 41.25 44.26 2pph s ASN 55 CO 0.36 -0.99 2.06 1.56 -2.04 0.00 0.00 177.10 178.04 2pph h GLN 56 N 1.70 0.12 -0.52 3.55 1.08 -1.99 -2.67 115.11 116.38 2pph h GLN 56 Ca -0.34 -0.01 0.08 0.00 -1.45 0.00 0.00 58.65 56.92 2pph h GLN 56 Cb 1.28 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.62 2pph h GLN 56 CO 0.55 0.16 0.16 0.22 -0.95 0.00 0.00 178.83 178.96 2pph h ASP 57 N 0.12 0.12 -0.24 1.46 3.58 -1.98 0.51 116.42 119.98 2pph h ASP 57 Ca 0.03 0.08 -0.13 0.00 0.42 0.00 0.00 57.03 57.43 2pph h ASP 57 Cb 0.13 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2pph h ASP 57 CO 0.00 0.09 -0.30 0.44 -2.88 0.00 0.00 179.24 176.59 2pph h ASP 58 N 0.32 0.77 -0.36 2.28 3.32 -1.84 -1.63 116.42 119.28 2pph h ASP 58 Ca 0.26 -0.31 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 2pph h ASP 58 Cb 0.32 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2pph h ASP 58 CO -0.29 1.02 -0.05 0.25 -1.72 0.00 0.00 179.24 178.46 2pph h LEU 59 N 0.63 0.67 -0.79 1.55 5.85 -1.16 -2.62 115.31 119.44 2pph h LEU 59 Ca 0.07 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 58.36 2pph h LEU 59 Cb 0.83 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 2pph h LEU 59 CO 0.07 0.85 -0.11 -0.78 -0.34 0.00 0.00 178.44 178.13 2pph h ASP 60 N 0.47 0.79 -0.56 1.25 1.82 0.04 -2.80 116.42 117.44 2pph h ASP 60 Ca 0.10 -0.24 -0.03 0.00 -0.39 0.00 0.00 57.03 56.47 2pph h ASP 60 Cb 0.54 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.30 2pph h ASP 60 CO 0.03 0.92 0.24 0.50 -1.61 0.00 0.00 179.24 179.32 2pph h LYS 61 N 0.72 0.86 -0.43 0.28 3.64 -1.20 -1.74 116.57 118.71 2pph h LYS 61 Ca 0.12 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2pph h LYS 61 Cb 0.60 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2pph h LYS 61 CO 0.04 0.70 0.06 0.00 -2.27 0.00 0.00 179.45 177.98 2pph h ALA 62 N 1.41 0.57 -0.51 5.00 0.00 -1.22 -2.87 119.26 121.65 2pph h ALA 62 Ca 0.20 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2pph h ALA 62 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2pph h ALA 62 CO -0.02 0.30 0.15 0.82 0.00 0.00 0.00 179.25 180.50 2pph h ILE 63 N 0.57 1.23 -0.59 0.00 1.08 -1.25 -2.34 117.51 116.22 2pph h ILE 63 Ca 0.13 -0.78 0.09 0.00 -0.39 0.00 0.00 64.86 63.91 2pph h ILE 63 Cb 0.40 0.79 -0.07 0.00 -3.07 0.00 0.00 36.82 34.86 2pph h ILE 63 CO 0.01 0.29 0.20 0.44 -0.69 0.00 0.00 178.15 178.40 2pph h ASP 64 N 0.69 0.19 -0.67 1.72 3.32 -1.24 0.96 116.42 121.39 2pph h ASP 64 Ca 0.16 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 2pph h ASP 64 Cb 0.28 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 2pph h ASP 64 CO -0.00 0.12 0.16 0.40 -1.72 0.00 0.00 179.24 178.19 2pph h ILE 65 N 0.38 1.26 -0.22 0.35 2.04 -1.35 -1.96 117.51 118.01 2pph h ILE 65 Ca 0.30 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 2pph h ILE 65 Cb 0.37 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2pph h ILE 65 CO -0.31 0.37 0.03 0.25 0.00 0.00 0.00 178.15 178.49 2pph h LEU 66 N 1.03 0.35 -1.25 1.44 5.85 -0.69 -2.95 115.31 119.10 2pph h LEU 66 Ca 0.21 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2pph h LEU 66 Cb 0.37 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2pph h LEU 66 CO 0.00 0.53 0.33 0.44 -0.34 0.00 0.00 178.44 179.40 2pph h ASP 67 N 0.17 0.75 -0.34 1.25 3.32 -0.75 -2.18 116.42 118.64 2pph h ASP 67 Ca 0.07 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2pph h ASP 67 Cb 0.32 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2pph h ASP 67 CO 0.00 0.61 0.21 0.03 -1.72 0.00 0.00 179.24 178.38 2pph h ARG 68 N 0.85 0.46 -6.49 3.56 3.08 -1.19 -3.42 114.38 111.24 2pph h ARG 68 Ca 0.22 -0.03 -0.53 0.00 0.07 0.00 0.00 59.98 59.71 2pph h ARG 68 Cb 0.03 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2pph h ARG 68 CO -0.03 0.33 0.35 -1.54 -1.07 0.00 0.00 179.97 178.00 2pph s SER 69 N -6.74 7.43 0.15 7.04 1.04 -0.82 -4.96 113.70 116.84 2pph s SER 69 Ca -0.08 1.72 -0.00 0.00 0.48 0.00 0.00 55.95 58.07 2pph s SER 69 Cb 0.17 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.67 2pph s SER 69 CO 0.73 -0.13 1.34 0.77 0.98 0.00 0.00 173.24 176.93 2pph h SER 70 N 6.02 0.35 -0.87 7.02 4.64 -1.84 -3.27 113.55 125.61 2pph h SER 70 Ca -0.42 -0.29 -0.56 0.00 -0.47 0.00 0.00 61.79 60.04 2pph h SER 70 Cb 1.21 -0.11 -0.25 0.00 -0.31 0.00 0.00 62.40 62.94 2pph h SER 70 CO 0.73 1.10 0.73 -1.54 -0.87 0.00 0.00 176.83 176.97 2pph n SER 71 N -3.68 6.70 -4.72 4.97 3.41 -1.26 -5.01 113.62 114.03 2pph n SER 71 Ca -0.05 -3.56 -0.41 0.00 -0.26 0.00 0.00 58.87 54.59 2pph n SER 71 Cb 0.83 -0.96 0.02 0.00 -0.26 0.00 0.00 64.21 63.83 2pph n SER 71 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 2pph n MET 72 N -0.66 2.02 -3.34 4.33 3.85 -1.24 -4.98 117.12 117.11 2pph n MET 72 Ca 0.54 0.72 -0.26 0.00 -1.00 0.00 0.00 57.70 57.70 2pph n MET 72 Cb 0.80 -2.47 -0.08 0.00 -1.05 0.00 0.00 33.22 30.42 2pph n MET 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2pph n LYS 73 N -0.07 0.98 0.00 3.17 4.76 -1.26 -5.11 118.16 120.62 2pph n LYS 73 Ca 0.06 -3.56 0.00 0.00 -2.87 0.00 0.00 58.31 51.94 2pph n LYS 73 Cb 0.40 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 2pph n LYS 73 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2pph n SER 74 N 1.72 -5.53 -4.49 4.39 2.88 -1.26 -4.79 113.62 106.54 2pph n SER 74 Ca 0.25 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.45 2pph n SER 74 Cb 0.48 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.82 2pph n SER 74 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2pph s LEU 75 N 0.00 3.06 -0.43 2.46 1.02 -1.23 -4.93 118.68 118.64 2pph s LEU 75 Ca 0.00 -0.15 -0.14 0.00 0.02 0.00 0.00 54.13 53.86 2pph s LEU 75 Cb 0.00 -1.70 0.05 0.00 0.02 0.00 0.00 46.19 44.56 2pph s LEU 75 CO 0.00 0.23 0.32 -0.13 0.02 0.00 0.00 176.35 176.79 2pph s ARG 76 N -0.04 2.90 -0.05 1.70 0.52 -1.26 -2.16 118.95 120.56 2pph s ARG 76 Ca -0.00 -1.22 0.03 0.00 -0.52 0.00 0.00 55.73 54.02 2pph s ARG 76 Cb -0.14 -3.97 0.01 0.00 0.52 0.00 0.00 34.95 31.37 2pph s ARG 76 CO 0.03 -0.88 -0.12 0.42 0.02 0.00 0.00 175.30 174.78 2pph s ILE 77 N 1.61 1.06 -0.27 1.52 1.01 -1.23 -4.08 121.20 120.83 2pph s ILE 77 Ca 0.04 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 2pph s ILE 77 Cb -0.22 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2pph s ILE 77 CO 0.07 0.33 0.15 -0.22 0.00 0.00 0.00 174.94 175.27 2pph s LEU 78 N 0.48 3.84 -0.22 2.97 2.96 -0.59 -3.64 118.68 124.48 2pph s LEU 78 Ca -0.10 -0.06 -0.15 0.00 -0.22 0.00 0.00 54.13 53.60 2pph s LEU 78 Cb -0.13 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 2pph s LEU 78 CO 0.03 -0.03 0.34 -0.76 -1.32 0.00 0.00 176.35 174.60 2pph s LEU 79 N 1.64 4.14 0.03 -0.68 1.43 -1.23 -2.37 118.68 121.63 2pph s LEU 79 Ca 0.07 0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.59 2pph s LEU 79 Cb -0.15 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 2pph s LEU 79 CO 0.08 -0.05 -0.05 -0.76 0.23 0.00 0.00 176.35 175.79 2pph s LEU 80 N 1.30 2.19 -0.12 1.79 1.43 -1.24 -4.80 118.68 119.24 2pph s LEU 80 Ca 0.16 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 2pph s LEU 80 Cb -0.14 -0.09 -0.02 0.00 0.03 0.00 0.00 46.19 45.96 2pph s LEU 80 CO 0.07 -0.17 1.16 -0.44 0.23 0.00 0.00 176.35 177.20 2pph s SER 81 N -1.20 7.06 -0.26 2.29 0.01 -1.26 -2.66 113.70 117.68 2pph s SER 81 Ca -0.09 1.67 0.09 0.00 1.31 0.00 0.00 55.95 58.93 2pph s SER 81 Cb -0.08 -2.55 0.45 0.00 0.21 0.00 0.00 66.02 64.05 2pph s SER 81 CO -0.00 -0.63 1.20 0.00 0.41 0.00 0.00 173.24 174.22 2pph n GLN 82 N 5.74 2.80 -2.78 12.44 1.13 -1.25 -4.86 117.38 130.61 2pph n GLN 82 Ca 0.12 -3.82 -0.05 0.00 -1.94 0.00 0.00 57.00 51.31 2pph n GLN 82 Cb 0.46 -1.99 0.01 0.00 0.11 0.00 0.00 30.24 28.83 2pph n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2pph n ASP 83 N -0.82 -3.34 -4.16 1.08 2.03 -1.26 -5.03 116.55 105.06 2pph n ASP 83 Ca 0.34 -2.91 -0.44 0.00 0.52 0.00 0.00 54.79 52.30 2pph n ASP 83 Cb 0.87 1.67 0.00 0.00 -0.72 0.00 0.00 41.12 42.95 2pph n ASP 83 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2pph n ARG 84 N 2.89 3.74 -3.58 -0.67 0.00 -1.26 -4.95 116.66 112.84 2pph n ARG 84 Ca 0.18 -4.04 -0.14 0.00 -0.00 0.00 0.00 57.85 53.85 2pph n ARG 84 Cb 0.56 -2.78 -0.05 0.00 0.00 0.00 0.00 32.46 30.18 2pph n ARG 84 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2pph n ASN 85 N 3.52 -0.63 -4.77 6.15 3.02 -1.26 -5.16 115.26 116.13 2pph n ASN 85 Ca 0.33 -2.57 -0.32 0.00 -0.03 0.00 0.00 54.58 51.99 2pph n ASN 85 Cb 0.38 1.38 0.07 0.00 -0.61 0.00 0.00 39.78 40.99 2pph n ASN 85 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2pph s LEU 86 N 0.00 3.23 -0.13 3.41 2.01 -1.26 -5.00 118.68 120.95 2pph s LEU 86 Ca 0.28 1.93 -0.06 0.00 0.01 0.00 0.00 54.13 56.28 2pph s LEU 86 Cb 0.01 -4.54 -0.26 0.00 0.01 0.00 0.00 46.19 41.41 2pph s LEU 86 CO 0.20 -1.82 0.34 -0.62 1.01 0.00 0.00 176.35 175.46 2pph n GLU 87 N -2.90 0.76 -4.03 1.70 -0.58 -1.26 -4.96 120.64 109.36 2pph n GLU 87 Ca 0.10 0.26 -0.13 0.00 -0.42 0.00 0.00 57.16 56.97 2pph n GLU 87 Cb 0.52 -1.70 -0.13 0.00 -0.57 0.00 0.00 31.44 29.56 2pph n GLU 87 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2pph s HIS 88 N -2.56 0.35 -0.09 -0.32 3.76 -1.26 -5.16 115.29 110.01 2pph s HIS 88 Ca -0.23 -0.23 -0.09 0.00 -0.15 0.00 0.00 55.06 54.37 2pph s HIS 88 Cb 0.07 -0.22 0.02 0.00 1.11 0.00 0.00 32.58 33.56 2pph s HIS 88 CO 0.76 -0.05 0.25 -1.58 -0.85 0.00 0.00 174.74 173.27 2pph s HIS 89 N -0.58 -0.27 -0.24 1.40 2.46 -1.26 -5.03 115.29 111.77 2pph s HIS 89 Ca -0.04 0.66 -0.01 0.00 0.47 0.00 0.00 55.06 56.14 2pph s HIS 89 Cb -0.04 0.09 0.00 0.00 -0.13 0.00 0.00 32.58 32.50 2pph s HIS 89 CO -0.00 -0.14 0.02 0.72 -2.47 0.00 0.00 174.74 172.87 2pph n HIS 90 N 2.89 -3.32 -3.38 3.88 8.25 -1.26 -4.99 115.22 117.29 2pph n HIS 90 Ca -0.13 1.52 -0.38 0.00 -0.26 0.00 0.00 57.72 58.47 2pph n HIS 90 Cb 0.58 -3.56 -0.06 0.00 1.12 0.00 0.00 29.99 28.07 2pph n HIS 90 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2pph s HIS 91 N -1.26 3.54 0.56 4.41 2.46 -1.26 -5.07 115.29 118.66 2pph s HIS 91 Ca -0.02 0.86 -0.16 0.00 0.47 0.00 0.00 55.06 56.21 2pph s HIS 91 Cb 0.00 -2.48 -0.06 0.00 -0.13 0.00 0.00 32.58 29.92 2pph s HIS 91 CO 0.64 0.25 1.02 -1.58 -2.47 0.00 0.00 174.74 172.61 2pph s HIS 92 N 0.33 3.21 -2.00 3.88 2.46 -1.26 -5.33 115.29 116.58 2pph s HIS 92 Ca 0.24 1.48 0.29 0.00 0.47 0.00 0.00 55.06 57.54 2pph s HIS 92 Cb -0.15 -2.90 1.72 0.00 -0.13 0.00 0.00 32.58 31.11 2pph s HIS 92 CO 0.10 -0.77 2.05 1.58 -2.47 0.00 0.00 174.74 175.23