#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 0.03 -0.09 1.08 1.04 -1.26 -4.98 113.70 109.51 2pph s SER 2 Ca 0.00 -0.82 -0.06 0.00 0.48 0.00 0.00 55.95 55.54 2pph s SER 2 Cb 0.00 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.73 2pph s SER 2 CO 0.00 -1.18 0.13 -0.67 0.98 0.00 0.00 173.24 172.50 2pph n ASP 3 N -1.36 -1.77 -4.68 7.02 2.03 -1.25 -4.92 116.55 111.61 2pph n ASP 3 Ca -0.04 0.82 -0.35 0.00 0.52 0.00 0.00 54.79 55.75 2pph n ASP 3 Cb 0.59 -3.47 -0.09 0.00 -0.72 0.00 0.00 41.12 37.44 2pph n ASP 3 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2pph s VAL 4 N -0.38 5.14 -0.53 5.18 1.01 0.36 -4.90 120.40 126.29 2pph s VAL 4 Ca -0.15 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 2pph s VAL 4 Cb 0.01 -3.34 0.05 0.00 0.00 0.00 0.00 36.38 33.10 2pph s VAL 4 CO 0.39 0.44 0.77 -0.13 0.00 0.00 0.00 175.10 176.57 2pph s ARG 5 N 0.45 3.22 -0.13 2.72 0.52 -1.26 -1.92 118.95 122.55 2pph s ARG 5 Ca 0.06 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 2pph s ARG 5 Cb -0.12 -4.08 -0.01 0.00 0.52 0.00 0.00 34.95 31.26 2pph s ARG 5 CO -0.00 -1.34 -0.14 0.42 0.02 0.00 0.00 175.30 174.25 2pph s ILE 6 N 3.24 2.90 -0.22 1.52 1.09 -1.18 -3.59 121.20 124.95 2pph s ILE 6 Ca 0.22 -0.71 -0.10 0.00 -1.10 0.00 0.00 60.65 58.96 2pph s ILE 6 Cb -0.16 -2.21 -0.05 0.00 -1.06 0.00 0.00 42.46 38.98 2pph s ILE 6 CO 0.15 0.52 0.14 -0.54 -0.10 0.00 0.00 174.94 175.12 2pph s LYS 7 N 0.44 4.10 -0.15 2.79 1.02 -1.20 -2.66 119.74 124.08 2pph s LYS 7 Ca -0.11 -0.26 -0.00 0.00 0.02 0.00 0.00 55.97 55.62 2pph s LYS 7 Cb -0.16 -3.48 -0.01 0.00 -0.52 0.00 0.00 37.83 33.66 2pph s LYS 7 CO 0.05 0.15 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.43 2pph s PHE 8 N 0.80 2.81 -0.08 3.18 0.08 -0.25 -3.85 117.98 120.66 2pph s PHE 8 Ca 0.07 -0.82 0.04 0.00 0.12 0.00 0.00 56.93 56.34 2pph s PHE 8 Cb -0.13 -1.88 0.00 0.00 -0.57 0.00 0.00 43.02 40.45 2pph s PHE 8 CO 0.02 -0.34 -0.22 -2.00 -0.10 0.00 0.00 175.22 172.59 2pph s GLU 9 N 0.61 2.64 -0.09 0.44 2.12 -1.25 -0.32 118.70 122.85 2pph s GLU 9 Ca -0.08 -0.78 -0.04 0.00 0.36 0.00 0.00 54.97 54.43 2pph s GLU 9 Cb -0.16 -2.06 0.05 0.00 0.26 0.00 0.00 34.13 32.21 2pph s GLU 9 CO 0.03 0.19 0.21 -1.58 -0.54 0.00 0.00 175.26 173.57 2pph s HIS 10 N 0.30 -0.28 -1.75 5.30 2.46 0.26 -3.51 115.29 118.07 2pph s HIS 10 Ca -0.15 0.70 -0.01 0.00 0.47 0.00 0.00 55.06 56.08 2pph s HIS 10 Cb -0.16 -0.01 0.00 0.00 -0.13 0.00 0.00 32.58 32.27 2pph s HIS 10 CO 0.07 -0.22 0.08 -1.71 -2.47 0.00 0.00 174.74 170.48 2pph n ASN 11 N 4.37 -5.92 0.00 9.88 2.85 -1.26 -1.16 115.26 124.01 2pph n ASN 11 Ca -0.23 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.19 2pph n ASN 11 Cb 0.52 -4.91 0.00 0.00 1.24 0.00 0.00 39.78 36.63 2pph n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pph n GLY 12 N -1.08 2.36 3.59 8.20 0.00 -1.26 -5.01 105.19 111.99 2pph n GLY 12 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 2pph n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pph s GLU 13 N -0.40 3.84 -0.13 1.61 0.41 -0.31 -5.05 118.70 118.67 2pph s GLU 13 Ca 0.00 0.24 -0.05 0.00 -0.41 0.00 0.00 54.97 54.75 2pph s GLU 13 Cb 0.00 -3.75 -0.04 0.00 -1.78 0.00 0.00 34.13 28.56 2pph s GLU 13 CO 0.00 -0.62 0.04 -0.98 -0.49 0.00 0.00 175.26 173.21 2pph s ARG 14 N 2.65 3.44 0.08 1.61 1.70 -1.26 -0.57 118.95 126.60 2pph s ARG 14 Ca 0.25 -0.35 0.03 0.00 -0.47 0.00 0.00 55.73 55.19 2pph s ARG 14 Cb -0.15 -3.00 -0.03 0.00 -0.57 0.00 0.00 34.95 31.20 2pph s ARG 14 CO 0.13 0.54 -0.09 1.03 -1.08 0.00 0.00 175.30 175.82 2pph s ARG 15 N -0.40 0.75 -0.19 3.89 3.00 0.57 -4.98 118.95 121.59 2pph s ARG 15 Ca 0.09 -1.06 -0.01 0.00 0.00 0.00 0.00 55.73 54.74 2pph s ARG 15 Cb -0.12 -0.43 0.00 0.00 0.00 0.00 0.00 34.95 34.40 2pph s ARG 15 CO 0.02 0.06 -0.12 0.42 0.00 0.00 0.00 175.30 175.68 2pph s ILE 16 N -2.27 2.83 -0.08 1.52 1.01 -1.26 -1.09 121.20 121.86 2pph s ILE 16 Ca 0.02 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.00 2pph s ILE 16 Cb -0.04 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.21 2pph s ILE 16 CO -0.01 0.49 -0.13 -0.63 0.00 0.00 0.00 174.94 174.66 2pph s ILE 17 N 1.16 1.26 -0.11 2.92 -1.09 -1.09 -5.05 121.20 119.21 2pph s ILE 17 Ca 0.01 -0.54 -0.20 0.00 -2.23 0.00 0.00 60.65 57.69 2pph s ILE 17 Cb -0.14 -1.15 -0.04 0.00 -1.58 0.00 0.00 42.46 39.55 2pph s ILE 17 CO -0.04 0.39 0.56 0.00 -1.23 0.00 0.00 174.94 174.62 2pph s ALA 18 N 0.75 3.44 -0.21 9.38 0.00 -1.26 -3.11 121.76 130.75 2pph s ALA 18 Ca -0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 2pph s ALA 18 Cb -0.16 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.20 2pph s ALA 18 CO 0.03 -0.11 -0.13 -0.06 0.00 0.00 0.00 175.76 175.49 2pph s PHE 19 N 0.86 2.94 0.70 0.00 0.08 -0.81 -4.95 117.98 116.80 2pph s PHE 19 Ca 0.30 -1.58 -0.13 0.00 0.12 0.00 0.00 56.93 55.64 2pph s PHE 19 Cb -0.16 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.32 2pph s PHE 19 CO 0.13 -0.75 1.10 -1.12 -0.10 0.00 0.00 175.22 174.47 2pph s SER 20 N 1.31 4.89 0.09 1.36 0.01 -1.26 -0.49 113.70 119.61 2pph s SER 20 Ca 0.02 1.91 0.00 0.00 1.31 0.00 0.00 55.95 59.20 2pph s SER 20 Cb -0.15 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 2pph s SER 20 CO -0.08 -1.78 0.24 -0.13 0.41 0.00 0.00 173.24 171.90 2pph s ARG 21 N -4.44 3.45 0.37 12.44 1.81 -1.26 -3.84 118.95 127.47 2pph s ARG 21 Ca 0.64 -0.47 -0.25 0.00 -1.72 0.00 0.00 55.73 53.93 2pph s ARG 21 Cb -0.19 -3.01 -0.09 0.00 -0.45 0.00 0.00 34.95 31.21 2pph s ARG 21 CO 0.48 0.58 1.03 -1.25 -0.68 0.00 0.00 175.30 175.45 2pph s PRO 22 N -2.71 4.31 -0.21 3.54 0.04 -1.26 -4.92 135.00 133.80 2pph s PRO 22 Ca 0.35 1.49 -0.06 0.00 0.04 0.00 0.00 61.00 62.82 2pph s PRO 22 Cb -0.12 -2.66 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 2pph s PRO 22 CO 0.28 -0.01 0.02 0.54 0.04 0.00 0.00 177.00 177.88 2pph s VAL 23 N -1.61 4.13 0.07 -0.36 0.11 -1.25 -5.11 120.40 116.38 2pph s VAL 23 Ca 0.55 -0.25 0.01 0.00 -2.93 0.00 0.00 61.98 59.36 2pph s VAL 23 Cb -0.22 -2.88 -0.04 0.00 -1.53 0.00 0.00 36.38 31.71 2pph s VAL 23 CO 0.28 0.41 0.15 -0.54 -3.33 0.00 0.00 175.10 172.07 2pph s LYS 24 N 1.03 3.18 0.14 1.54 -0.14 -1.26 -5.03 119.74 119.20 2pph s LYS 24 Ca 0.03 -0.55 -0.18 0.00 -1.36 0.00 0.00 55.97 53.90 2pph s LYS 24 Cb -0.14 -2.90 -0.01 0.00 -1.68 0.00 0.00 37.83 33.10 2pph s LYS 24 CO 0.02 0.59 1.75 -0.92 -0.76 0.00 0.00 175.35 176.04 2pph h TYR 25 N 3.21 0.18 -0.76 3.18 5.03 -1.98 -1.17 116.97 124.66 2pph h TYR 25 Ca -0.46 0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.87 2pph h TYR 25 Cb 1.16 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 39.36 2pph h TYR 25 CO 0.61 0.09 0.49 1.49 -1.32 0.00 0.00 178.16 179.52 2pph h GLU 26 N 0.23 1.02 -0.50 1.82 4.81 -1.98 0.11 114.58 120.09 2pph h GLU 26 Ca 0.11 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2pph h GLU 26 Cb 0.07 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2pph h GLU 26 CO -0.11 0.69 0.25 0.22 -0.73 0.00 0.00 179.01 179.34 2pph h ASP 27 N 1.04 0.64 -0.06 1.04 3.58 -1.87 0.14 116.42 120.93 2pph h ASP 27 Ca 0.28 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 2pph h ASP 27 Cb -0.09 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.80 2pph h ASP 27 CO -0.06 0.57 -0.04 0.58 -2.88 0.00 0.00 179.24 177.42 2pph h VAL 28 N 0.66 1.34 -1.00 2.25 2.07 -0.92 -2.97 116.25 117.68 2pph h VAL 28 Ca 0.17 -1.09 0.03 0.00 0.82 0.00 0.00 66.70 66.63 2pph h VAL 28 Cb 0.09 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 2pph h VAL 28 CO -0.02 0.30 0.66 -0.08 0.02 0.00 0.00 177.57 178.45 2pph h GLU 29 N -0.28 1.27 -1.00 1.57 4.22 -0.70 -1.61 114.58 118.05 2pph h GLU 29 Ca 0.01 -0.08 0.05 0.00 0.08 0.00 0.00 59.36 59.42 2pph h GLU 29 Cb 0.50 -0.29 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 2pph h GLU 29 CO 0.01 0.84 0.65 0.45 -2.18 0.00 0.00 179.01 178.78 2pph h HIS 30 N 1.31 1.22 -0.28 0.92 3.86 -0.70 0.28 115.15 121.75 2pph h HIS 30 Ca 0.39 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.46 2pph h HIS 30 Cb -0.06 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 28.00 2pph h HIS 30 CO -0.00 0.68 -0.46 -0.22 0.86 0.00 0.00 177.93 178.78 2pph h LYS 31 N 1.23 0.81 -0.44 2.45 3.64 -1.22 -2.16 116.57 120.88 2pph h LYS 31 Ca 0.41 -0.49 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 2pph h LYS 31 Cb 0.06 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2pph h LYS 31 CO -0.14 1.13 -0.03 0.28 -2.27 0.00 0.00 179.45 178.41 2pph h VAL 32 N 0.57 1.27 -0.55 2.00 2.07 -0.71 -0.84 116.25 120.06 2pph h VAL 32 Ca 0.02 -1.10 -0.09 0.00 0.82 0.00 0.00 66.70 66.36 2pph h VAL 32 Cb 1.06 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2pph h VAL 32 CO 0.11 0.38 0.00 0.00 0.02 0.00 0.00 177.57 178.07 2pph h THR 33 N 0.63 1.26 -0.09 2.57 1.03 -0.49 -2.12 112.91 115.70 2pph h THR 33 Ca 0.12 -1.09 -0.06 0.00 -0.01 0.00 0.00 66.41 65.37 2pph h THR 33 Cb 0.54 0.83 0.00 0.00 -1.07 0.00 0.00 68.15 68.45 2pph h THR 33 CO 0.03 0.39 -0.18 0.74 -0.01 0.00 0.00 175.52 176.49 2pph h THR 34 N 0.87 1.39 -0.20 0.00 2.02 -1.28 0.55 112.91 116.26 2pph h THR 34 Ca 0.16 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.88 2pph h THR 34 Cb 0.51 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 2pph h THR 34 CO 0.02 0.42 0.13 1.62 0.37 0.00 0.00 175.52 178.08 2pph h VAL 35 N -0.17 1.07 0.00 3.16 3.04 -1.14 -2.82 116.25 119.39 2pph h VAL 35 Ca 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 2pph h VAL 35 Cb 0.76 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 2pph h VAL 35 CO 0.04 0.06 -0.37 -0.26 -1.01 0.00 0.00 177.57 176.03 2pph h PHE 36 N 0.26 0.00 -0.04 3.17 0.04 -1.47 -3.48 116.94 115.42 2pph h PHE 36 Ca 0.07 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 2pph h PHE 36 Cb -0.01 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 2pph h PHE 36 CO -0.06 0.00 -0.01 0.41 -0.60 0.00 0.00 178.31 178.05 2pph n GLY 37 N 1.20 0.40 3.60 -1.45 0.00 0.17 -5.02 105.19 104.09 2pph n GLY 37 Ca 0.03 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.57 0.41 -0.49 1.61 -0.21 0.42 -4.97 119.66 113.86 2pph s GLN 38 Ca 0.00 0.10 -0.28 0.00 0.02 0.00 0.00 55.36 55.20 2pph s GLN 38 Cb 0.00 0.19 0.01 0.00 1.00 0.00 0.00 33.01 34.21 2pph s GLN 38 CO 0.00 -0.13 1.50 -1.25 -2.12 0.00 0.00 175.29 173.30 2pph s PRO 39 N -1.06 3.33 -0.09 2.91 0.04 -1.26 -4.17 135.00 134.70 2pph s PRO 39 Ca 0.02 0.75 -0.03 0.00 0.04 0.00 0.00 61.00 61.78 2pph s PRO 39 Cb -0.01 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.37 2pph s PRO 39 CO -0.02 -1.88 0.04 -0.51 0.04 0.00 0.00 177.00 174.68 2pph s LEU 40 N 6.23 3.82 0.28 -3.56 1.02 -1.26 -4.12 118.68 121.09 2pph s LEU 40 Ca 0.60 0.24 -0.29 0.00 0.02 0.00 0.00 54.13 54.70 2pph s LEU 40 Cb -0.13 -1.89 -0.09 0.00 0.02 0.00 0.00 46.19 44.09 2pph s LEU 40 CO 0.28 0.39 1.04 -0.62 0.02 0.00 0.00 176.35 177.46 2pph s ASP 41 N -0.93 7.35 -0.29 2.29 2.15 -0.31 -4.82 116.67 122.10 2pph s ASP 41 Ca 0.14 2.13 -0.10 0.00 0.43 0.00 0.00 52.55 55.14 2pph s ASP 41 Cb -0.12 -2.62 -0.03 0.00 -0.30 0.00 0.00 42.92 39.86 2pph s ASP 41 CO 0.03 -0.07 0.17 -0.76 -0.17 0.00 0.00 175.17 174.36 2pph s LEU 42 N -1.50 4.00 -0.18 -1.34 1.02 -1.26 -2.74 118.68 116.69 2pph s LEU 42 Ca 0.45 -0.20 -0.06 0.00 0.02 0.00 0.00 54.13 54.33 2pph s LEU 42 Cb -0.29 -2.06 -0.04 0.00 0.02 0.00 0.00 46.19 43.82 2pph s LEU 42 CO 0.36 -0.10 0.03 -1.00 0.02 0.00 0.00 176.35 175.66 2pph s HIS 43 N 1.70 3.18 -0.16 0.29 3.76 -1.08 -1.99 115.29 120.99 2pph s HIS 43 Ca 0.06 -0.05 -0.03 0.00 -0.15 0.00 0.00 55.06 54.89 2pph s HIS 43 Cb -0.16 -2.05 -0.02 0.00 1.11 0.00 0.00 32.58 31.46 2pph s HIS 43 CO 0.09 0.09 -0.05 -0.47 -0.85 0.00 0.00 174.74 173.55 2pph s TYR 44 N 0.39 3.00 -0.06 1.40 6.14 0.08 -2.66 117.35 125.63 2pph s TYR 44 Ca 0.01 -0.39 0.04 0.00 0.64 0.00 0.00 57.07 57.37 2pph s TYR 44 Cb -0.13 -1.96 0.00 0.00 0.42 0.00 0.00 41.96 40.29 2pph s TYR 44 CO 0.01 -0.10 -0.17 -1.64 0.64 0.00 0.00 175.55 174.29 2pph s MET 45 N 0.47 2.04 -0.07 4.97 -1.94 -1.26 -0.22 119.30 123.29 2pph s MET 45 Ca -0.04 -0.61 -0.07 0.00 -1.71 0.00 0.00 55.69 53.26 2pph s MET 45 Cb -0.14 -1.68 -0.02 0.00 2.01 0.00 0.00 34.83 35.00 2pph s MET 45 CO 0.03 0.16 -0.13 -1.71 -0.01 0.00 0.00 175.02 173.36 2pph n ASN 46 N 3.44 0.79 0.00 3.03 2.85 -1.15 -4.86 115.26 119.36 2pph n ASN 46 Ca -0.20 0.20 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2pph n ASN 46 Cb 0.52 -0.61 0.00 0.00 1.24 0.00 0.00 39.78 40.93 2pph n ASN 46 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2pph n ASN 47 N -3.30 0.00 -0.00 1.20 4.13 -1.26 -4.98 115.26 111.05 2pph n ASN 47 Ca -0.05 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.25 2pph n ASN 47 Cb 0.19 0.10 -0.07 0.00 -1.54 0.00 0.00 39.78 38.47 2pph n ASN 47 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2pph n GLU 48 N -2.27 0.95 -4.28 3.52 -0.58 -1.26 -5.00 120.64 111.71 2pph n GLU 48 Ca 0.00 -0.07 -0.35 0.00 -0.42 0.00 0.00 57.16 56.32 2pph n GLU 48 Cb 0.00 -1.17 -0.09 0.00 -0.57 0.00 0.00 31.44 29.62 2pph n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2pph s LEU 49 N -3.42 3.73 -0.16 -4.62 1.02 -1.26 -5.10 118.68 108.86 2pph s LEU 49 Ca -0.02 0.20 -0.01 0.00 0.02 0.00 0.00 54.13 54.32 2pph s LEU 49 Cb 0.06 -1.86 -0.01 0.00 0.02 0.00 0.00 46.19 44.40 2pph s LEU 49 CO 0.38 0.38 -0.11 -0.44 0.02 0.00 0.00 176.35 176.58 2pph s SER 50 N -0.91 4.01 -0.11 2.29 0.01 -1.26 -2.94 113.70 114.79 2pph s SER 50 Ca 0.14 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 57.02 2pph s SER 50 Cb -0.11 -1.64 -0.02 0.00 0.21 0.00 0.00 66.02 64.46 2pph s SER 50 CO 0.03 0.09 -0.13 -0.63 0.41 0.00 0.00 173.24 173.00 2pph s ILE 51 N 0.80 3.07 -0.15 1.44 1.01 0.69 -5.00 121.20 123.06 2pph s ILE 51 Ca -0.04 -0.67 -0.18 0.00 0.00 0.00 0.00 60.65 59.76 2pph s ILE 51 Cb -0.15 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2pph s ILE 51 CO 0.01 0.54 0.47 -0.22 0.00 0.00 0.00 174.94 175.74 2pph s LEU 52 N 0.07 4.23 -0.63 2.97 0.20 -1.26 -0.74 118.68 123.51 2pph s LEU 52 Ca -0.05 0.73 -0.27 0.00 0.69 0.00 0.00 54.13 55.23 2pph s LEU 52 Cb -0.15 -2.66 -0.01 0.00 -0.43 0.00 0.00 46.19 42.95 2pph s LEU 52 CO 0.04 -0.05 1.76 -0.76 -0.29 0.00 0.00 176.35 177.06 2pph s LEU 53 N 0.93 3.27 -0.20 -0.68 1.43 -0.84 -4.81 118.68 117.77 2pph s LEU 53 Ca 0.24 0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 53.34 2pph s LEU 53 Cb -0.15 -2.54 -0.19 0.00 0.03 0.00 0.00 46.19 43.34 2pph s LEU 53 CO 0.09 -2.29 0.21 0.29 0.23 0.00 0.00 176.35 174.88 2pph n LYS 54 N 9.22 0.58 -1.60 1.70 4.76 -1.26 -4.70 118.16 126.86 2pph n LYS 54 Ca 0.17 0.55 -0.00 0.00 -2.87 0.00 0.00 58.31 56.16 2pph n LYS 54 Cb 0.52 -1.74 -0.00 0.00 -1.84 0.00 0.00 35.03 31.97 2pph n LYS 54 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2pph n ASN 55 N -4.36 -0.03 -0.01 4.39 5.15 -1.26 -5.03 115.26 114.11 2pph n ASN 55 Ca -0.33 -1.04 0.13 0.00 -0.60 0.00 0.00 54.58 52.74 2pph n ASN 55 Cb 0.72 0.05 0.56 0.00 -0.53 0.00 0.00 39.78 40.58 2pph n ASN 55 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2pph h GLN 56 N 0.00 0.26 -0.61 1.20 1.08 -1.99 -1.85 115.11 113.20 2pph h GLN 56 Ca -0.01 -0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.27 2pph h GLN 56 Cb 0.02 -0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.32 2pph h GLN 56 CO 0.01 0.17 0.23 -0.44 -0.95 0.00 0.00 178.83 177.85 2pph h ASP 57 N 0.27 0.23 -0.41 1.46 5.19 -1.98 0.70 116.42 121.87 2pph h ASP 57 Ca 0.23 0.08 -0.08 0.00 -0.62 0.00 0.00 57.03 56.63 2pph h ASP 57 Cb 0.54 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 2pph h ASP 57 CO -0.05 0.13 -0.07 -0.78 -3.12 0.00 0.00 179.24 175.36 2pph h ASP 58 N 0.41 0.77 -0.49 6.45 3.58 -1.71 -2.36 116.42 123.08 2pph h ASP 58 Ca 0.31 -0.35 -0.12 0.00 0.42 0.00 0.00 57.03 57.30 2pph h ASP 58 Cb 0.39 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 2pph h ASP 58 CO -0.31 0.93 -0.17 -0.07 -2.88 0.00 0.00 179.24 176.75 2pph h LEU 59 N 0.59 0.99 -0.59 2.28 3.38 -1.17 -2.50 115.31 118.28 2pph h LEU 59 Ca 0.11 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2pph h LEU 59 Cb 0.58 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2pph h LEU 59 CO 0.03 1.14 0.32 -0.78 0.09 0.00 0.00 178.44 179.25 2pph h ASP 60 N 0.82 0.74 -0.74 -0.43 1.82 0.44 -1.75 116.42 117.34 2pph h ASP 60 Ca 0.12 -0.10 -0.05 0.00 -0.39 0.00 0.00 57.03 56.61 2pph h ASP 60 Cb 0.74 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.52 2pph h ASP 60 CO 0.06 0.63 0.28 0.11 -1.61 0.00 0.00 179.24 178.70 2pph h LYS 61 N 0.80 1.13 -0.71 0.28 1.79 -1.37 -2.26 116.57 116.22 2pph h LYS 61 Ca 0.21 -0.21 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2pph h LYS 61 Cb 0.05 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.49 2pph h LYS 61 CO -0.03 0.93 0.34 0.00 -1.08 0.00 0.00 179.45 179.60 2pph h ALA 62 N 1.20 0.92 -0.33 3.86 0.00 -1.01 -2.36 119.26 121.55 2pph h ALA 62 Ca 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2pph h ALA 62 Cb 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2pph h ALA 62 CO -0.02 0.49 0.11 0.82 0.00 0.00 0.00 179.25 180.66 2pph h ILE 63 N 1.00 1.20 -0.62 0.00 2.04 -1.02 -1.13 117.51 118.97 2pph h ILE 63 Ca 0.24 -0.64 0.07 0.00 1.00 0.00 0.00 64.86 65.54 2pph h ILE 63 Cb 0.13 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 2pph h ILE 63 CO -0.03 0.22 0.31 0.44 0.00 0.00 0.00 178.15 179.08 2pph h ASP 64 N 0.38 0.41 -0.51 1.72 5.19 -1.22 -0.12 116.42 122.27 2pph h ASP 64 Ca 0.11 0.05 -0.11 0.00 -0.62 0.00 0.00 57.03 56.45 2pph h ASP 64 Cb 0.23 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 2pph h ASP 64 CO -0.01 0.26 -0.11 0.40 -3.12 0.00 0.00 179.24 176.67 2pph h ILE 65 N 0.56 1.27 -0.40 0.35 2.04 -1.27 -2.97 117.51 117.08 2pph h ILE 65 Ca 0.29 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 2pph h ILE 65 Cb 0.25 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2pph h ILE 65 CO -0.22 0.44 0.21 0.25 0.00 0.00 0.00 178.15 178.83 2pph h LEU 66 N 0.89 0.51 -1.28 1.44 5.85 -0.41 -1.76 115.31 120.55 2pph h LEU 66 Ca 0.14 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.83 2pph h LEU 66 Cb 0.67 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 2pph h LEU 66 CO 0.05 0.48 0.53 0.44 -0.34 0.00 0.00 178.44 179.60 2pph h ASP 67 N 0.51 0.75 0.41 1.25 3.32 -0.97 -1.40 116.42 120.29 2pph h ASP 67 Ca 0.14 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.03 2pph h ASP 67 Cb 0.09 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2pph h ASP 67 CO -0.02 0.47 -0.71 -0.09 -1.72 0.00 0.00 179.24 177.16 2pph h ARG 68 N 0.84 0.26 -5.14 3.56 2.43 -1.32 -3.39 114.38 111.61 2pph h ARG 68 Ca 0.36 -0.21 -0.67 0.00 -0.81 0.00 0.00 59.98 58.64 2pph h ARG 68 Cb 0.31 0.05 -0.17 0.00 -0.42 0.00 0.00 29.97 29.74 2pph h ARG 68 CO -0.14 0.87 0.76 0.45 -1.51 0.00 0.00 179.97 180.40 2pph s SER 69 N -6.92 6.50 0.34 -3.80 0.15 -0.53 -4.86 113.70 104.58 2pph s SER 69 Ca -0.04 -1.76 0.04 0.00 0.70 0.00 0.00 55.95 54.89 2pph s SER 69 Cb 0.11 -2.41 0.63 0.00 -1.71 0.00 0.00 66.02 62.65 2pph s SER 69 CO 0.82 -1.17 1.91 -1.28 1.20 0.00 0.00 173.24 174.72 2pph h SER 70 N 9.05 0.53 -0.56 5.45 0.87 -1.77 -2.47 113.55 124.64 2pph h SER 70 Ca 0.04 -0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.60 2pph h SER 70 Cb 1.04 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.83 2pph h SER 70 CO 1.13 0.54 0.38 0.28 -0.53 0.00 0.00 176.83 178.63 2pph h SER 71 N 0.56 0.39 -3.33 6.23 0.02 -1.92 -3.40 113.55 112.12 2pph h SER 71 Ca 0.13 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.50 2pph h SER 71 Cb 0.23 -0.08 -0.10 0.00 0.14 0.00 0.00 62.40 62.59 2pph h SER 71 CO -0.00 0.25 -0.27 -0.32 -1.14 0.00 0.00 176.83 175.35 2pph s MET 72 N -5.41 4.27 -0.11 3.45 0.00 -0.93 -4.96 119.30 115.60 2pph s MET 72 Ca -0.08 0.19 -0.02 0.00 0.00 0.00 0.00 55.69 55.78 2pph s MET 72 Cb 0.19 -3.44 -0.06 0.00 0.00 0.00 0.00 34.83 31.52 2pph s MET 72 CO 0.75 0.18 -0.12 1.63 0.00 0.00 0.00 175.02 177.46 2pph n LYS 73 N 3.72 0.26 -3.18 4.11 5.02 -1.26 -4.88 118.16 121.95 2pph n LYS 73 Ca -0.10 0.08 -0.21 0.00 -2.02 0.00 0.00 58.31 56.06 2pph n LYS 73 Cb 0.52 -1.07 0.05 0.00 -0.02 0.00 0.00 35.03 34.51 2pph n LYS 73 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2pph s SER 74 N -5.51 5.00 -0.09 4.39 1.04 -1.26 -4.71 113.70 112.55 2pph s SER 74 Ca -0.15 -0.94 0.03 0.00 0.48 0.00 0.00 55.95 55.37 2pph s SER 74 Cb 0.05 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.55 2pph s SER 74 CO 0.23 -1.33 -0.19 -0.76 0.98 0.00 0.00 173.24 172.16 2pph s LEU 75 N -4.62 1.91 -0.48 2.42 2.01 -1.24 -5.00 118.68 113.68 2pph s LEU 75 Ca 0.57 -0.47 -0.23 0.00 0.01 0.00 0.00 54.13 54.02 2pph s LEU 75 Cb -0.05 -1.20 0.03 0.00 0.01 0.00 0.00 46.19 44.98 2pph s LEU 75 CO 0.36 0.10 0.81 -0.13 1.01 0.00 0.00 176.35 178.50 2pph s ARG 76 N 0.56 3.36 -0.06 1.70 1.81 -1.26 -3.22 118.95 121.84 2pph s ARG 76 Ca -0.15 -0.22 0.03 0.00 -1.72 0.00 0.00 55.73 53.67 2pph s ARG 76 Cb -0.17 -3.98 0.01 0.00 -0.45 0.00 0.00 34.95 30.36 2pph s ARG 76 CO 0.05 -1.22 -0.15 0.42 -0.68 0.00 0.00 175.30 173.73 2pph s ILE 77 N 3.39 1.29 -0.20 1.52 1.01 -1.25 -4.08 121.20 122.88 2pph s ILE 77 Ca 0.29 -0.59 -0.09 0.00 0.00 0.00 0.00 60.65 60.26 2pph s ILE 77 Cb -0.13 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 2pph s ILE 77 CO 0.21 0.39 0.10 -0.76 0.00 0.00 0.00 174.94 174.88 2pph s LEU 78 N 0.48 3.97 -0.24 2.97 1.02 -1.09 -3.82 118.68 121.97 2pph s LEU 78 Ca -0.13 0.11 -0.16 0.00 0.02 0.00 0.00 54.13 53.97 2pph s LEU 78 Cb -0.15 -2.03 -0.03 0.00 0.02 0.00 0.00 46.19 44.00 2pph s LEU 78 CO 0.04 0.14 0.43 -0.76 0.02 0.00 0.00 176.35 176.22 2pph s LEU 79 N 0.59 4.09 -0.03 1.79 1.43 -1.23 -2.64 118.68 122.68 2pph s LEU 79 Ca 0.06 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 2pph s LEU 79 Cb -0.12 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 43.56 2pph s LEU 79 CO 0.01 -0.17 -0.06 -0.76 0.23 0.00 0.00 176.35 175.60 2pph s LEU 80 N 1.81 1.64 0.01 1.79 1.02 -1.11 -4.88 118.68 118.96 2pph s LEU 80 Ca 0.19 -0.14 -0.30 0.00 0.02 0.00 0.00 54.13 53.90 2pph s LEU 80 Cb -0.15 -0.44 -0.06 0.00 0.02 0.00 0.00 46.19 45.56 2pph s LEU 80 CO 0.09 0.01 1.50 -0.44 0.02 0.00 0.00 176.35 177.54 2pph s SER 81 N 0.42 6.76 -0.39 2.29 0.01 -1.26 -1.16 113.70 120.36 2pph s SER 81 Ca -0.06 2.22 0.10 0.00 1.31 0.00 0.00 55.95 59.52 2pph s SER 81 Cb -0.10 -2.56 0.32 0.00 0.21 0.00 0.00 66.02 63.90 2pph s SER 81 CO 0.00 -0.80 0.75 0.00 0.41 0.00 0.00 173.24 173.60 2pph n GLN 82 N 5.74 0.91 -1.61 12.44 1.13 -1.26 -4.94 117.38 129.80 2pph n GLN 82 Ca 0.15 -3.06 -0.37 0.00 -1.94 0.00 0.00 57.00 51.77 2pph n GLN 82 Cb 0.43 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.34 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 0.60 7.59 -2.07 1.08 2.03 -1.26 -4.57 116.55 119.95 2pph n ASP 83 Ca 0.21 -3.79 -0.23 0.00 0.52 0.00 0.00 54.79 51.50 2pph n ASP 83 Cb 0.64 -1.03 0.16 0.00 -0.72 0.00 0.00 41.12 40.17 2pph n ASP 83 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2pph n ARG 84 N -0.68 2.30 -3.90 -0.67 1.74 -1.26 -4.96 116.66 109.23 2pph n ARG 84 Ca 0.58 -3.13 -0.08 0.00 -0.77 0.00 0.00 57.85 54.45 2pph n ARG 84 Cb 0.45 -2.14 -0.02 0.00 -1.02 0.00 0.00 32.46 29.73 2pph n ARG 84 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2pph s ASN 85 N -1.67 -0.10 0.00 0.55 4.22 -1.26 -5.13 114.94 111.54 2pph s ASN 85 Ca 0.56 -0.84 0.00 0.00 -2.14 0.00 0.00 52.86 50.44 2pph s ASN 85 Cb 0.47 0.71 0.00 0.00 1.28 0.00 0.00 41.25 43.71 2pph s ASN 85 CO 0.07 -1.36 0.00 0.18 -2.04 0.00 0.00 177.10 173.95 2pph n LEU 86 N -0.46 0.33 0.00 3.54 4.32 -1.26 -5.15 117.00 118.31 2pph n LEU 86 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 2pph n LEU 86 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 2pph n LEU 86 CO 0.20 0.00 0.00 -0.62 -1.22 0.00 0.00 177.39 175.75 2pph n GLU 87 N -1.07 -2.61 -3.86 3.23 -0.58 -1.26 -5.10 120.64 109.38 2pph n GLU 87 Ca 0.00 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 2pph n GLU 87 Cb 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 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 -2.35 3.44 -0.16 -0.32 3.76 -1.26 -5.06 115.29 113.35 2pph s HIS 88 Ca 0.00 -2.86 -0.12 0.00 -0.15 0.00 0.00 55.06 51.93 2pph s HIS 88 Cb 0.00 -3.03 0.05 0.00 1.11 0.00 0.00 32.58 30.70 2pph s HIS 88 CO 0.00 -0.86 0.40 -1.58 -0.85 0.00 0.00 174.74 171.85 2pph s HIS 89 N 0.28 -0.50 -0.31 1.40 2.46 -1.26 -5.12 115.29 112.23 2pph s HIS 89 Ca 0.14 1.14 -0.07 0.00 0.47 0.00 0.00 55.06 56.74 2pph s HIS 89 Cb -0.22 0.19 0.19 0.00 -0.13 0.00 0.00 32.58 32.61 2pph s HIS 89 CO -0.03 -0.26 0.97 -3.38 -2.47 0.00 0.00 174.74 169.56 2pph s HIS 90 N 0.73 -0.69 -0.21 3.88 -3.43 -1.26 -5.05 115.29 109.26 2pph s HIS 90 Ca -0.04 0.31 0.03 0.00 -0.80 0.00 0.00 55.06 54.55 2pph s HIS 90 Cb -0.05 0.12 -0.20 0.00 -1.43 0.00 0.00 32.58 31.01 2pph s HIS 90 CO -0.05 -0.42 -0.02 1.58 -2.00 0.00 0.00 174.74 173.83 2pph n HIS 91 N 4.72 0.33 0.01 0.38 -0.00 -1.26 -4.89 115.22 114.51 2pph n HIS 91 Ca 0.08 0.08 -0.00 0.00 0.46 0.00 0.00 57.72 58.33 2pph n HIS 91 Cb 0.59 -1.05 -0.00 0.00 -0.12 0.00 0.00 29.99 29.41 2pph n HIS 91 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2pph n HIS 92 N -3.23 0.00 -0.55 1.57 8.25 -1.26 -5.40 115.22 114.60 2pph n HIS 92 Ca -0.40 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.06 2pph n HIS 92 Cb 1.03 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 32.12 2pph n HIS 92 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56