#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 0.07 0.01 1.08 0.01 -1.26 -5.07 113.70 108.54 2pph s SER 2 Ca 0.00 -1.00 -0.00 0.00 1.31 0.00 0.00 55.95 56.26 2pph s SER 2 Cb 0.00 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.91 2pph s SER 2 CO 0.00 -1.32 0.00 0.47 0.41 0.00 0.00 173.24 172.80 2pph n ASP 3 N -0.77 -7.05 -4.73 2.44 8.00 -1.26 -4.98 116.55 108.19 2pph n ASP 3 Ca -0.03 1.25 -0.37 0.00 0.71 0.00 0.00 54.79 56.34 2pph n ASP 3 Cb 0.61 -3.81 -0.06 0.00 -0.02 0.00 0.00 41.12 37.83 2pph n ASP 3 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pph s VAL 4 N -0.40 5.21 -0.37 2.53 1.01 0.42 -4.74 120.40 124.05 2pph s VAL 4 Ca -0.00 0.84 -0.23 0.00 0.00 0.00 0.00 61.98 62.59 2pph s VAL 4 Cb 0.00 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.63 2pph s VAL 4 CO 0.00 0.36 0.80 -0.13 0.00 0.00 0.00 175.10 176.13 2pph s ARG 5 N 0.46 3.73 -0.21 2.72 0.52 -1.26 -1.21 118.95 123.69 2pph s ARG 5 Ca 0.23 0.29 -0.06 0.00 -0.52 0.00 0.00 55.73 55.67 2pph s ARG 5 Cb -0.15 -3.82 -0.03 0.00 0.52 0.00 0.00 34.95 31.47 2pph s ARG 5 CO 0.09 -0.89 0.04 0.42 0.02 0.00 0.00 175.30 174.98 2pph s ILE 6 N 3.16 4.25 -0.33 1.52 -1.09 -0.64 -3.23 121.20 124.84 2pph s ILE 6 Ca 0.32 -0.21 -0.07 0.00 -2.23 0.00 0.00 60.65 58.46 2pph s ILE 6 Cb -0.13 -2.94 0.03 0.00 -1.58 0.00 0.00 42.46 37.83 2pph s ILE 6 CO 0.18 0.40 0.10 -0.75 -1.23 0.00 0.00 174.94 173.64 2pph s LYS 7 N 1.11 2.81 0.10 2.79 2.47 -0.28 -1.98 119.74 126.75 2pph s LYS 7 Ca 0.03 -1.05 0.09 0.00 -1.56 0.00 0.00 55.97 53.48 2pph s LYS 7 Cb -0.14 -3.45 -0.04 0.00 -1.46 0.00 0.00 37.83 32.74 2pph s LYS 7 CO 0.02 -0.59 -0.18 -0.59 0.16 0.00 0.00 175.35 174.17 2pph s PHE 8 N 1.45 2.53 -0.03 4.03 -0.71 -0.54 -2.59 117.98 122.12 2pph s PHE 8 Ca 0.00 -0.27 0.06 0.00 -1.04 0.00 0.00 56.93 55.69 2pph s PHE 8 Cb -0.19 -1.36 -0.02 0.00 -1.21 0.00 0.00 43.02 40.24 2pph s PHE 8 CO 0.03 0.36 -0.22 -2.00 -1.34 0.00 0.00 175.22 172.05 2pph s GLU 9 N -2.02 2.26 -0.17 1.99 2.12 -0.75 -0.90 118.70 121.24 2pph s GLU 9 Ca 0.17 -0.85 -0.04 0.00 0.36 0.00 0.00 54.97 54.61 2pph s GLU 9 Cb -0.11 -2.16 0.08 0.00 0.26 0.00 0.00 34.13 32.21 2pph s GLU 9 CO 0.09 0.58 0.24 -1.58 -0.54 0.00 0.00 175.26 174.05 2pph s HIS 10 N -0.64 -0.36 -1.54 5.30 5.65 0.06 -2.64 115.29 121.12 2pph s HIS 10 Ca 0.10 0.57 -0.05 0.00 0.25 0.00 0.00 55.06 55.93 2pph s HIS 10 Cb -0.10 -0.21 0.01 0.00 -1.18 0.00 0.00 32.58 31.10 2pph s HIS 10 CO -0.00 -0.49 0.58 -1.71 -0.65 0.00 0.00 174.74 172.46 2pph n ASN 11 N 5.33 -5.88 0.00 9.88 5.15 -1.26 -1.28 115.26 127.20 2pph n ASN 11 Ca -0.05 -0.29 0.00 0.00 -0.60 0.00 0.00 54.58 53.64 2pph n ASN 11 Cb 0.50 -4.76 0.00 0.00 -0.53 0.00 0.00 39.78 34.98 2pph n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pph n GLY 12 N -1.47 0.52 3.35 8.20 0.00 -1.26 -5.04 105.19 109.49 2pph n GLY 12 Ca -0.11 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.52 3.44 -0.00 1.61 0.41 -0.40 -5.11 118.70 118.13 2pph s GLU 13 Ca 0.00 -0.60 -0.15 0.00 -0.41 0.00 0.00 54.97 53.81 2pph s GLU 13 Cb 0.00 -2.99 -0.06 0.00 -1.78 0.00 0.00 34.13 29.30 2pph s GLU 13 CO 0.00 -0.11 0.41 1.03 -0.49 0.00 0.00 175.26 176.10 2pph s ARG 14 N 1.26 3.93 -0.01 1.61 3.00 -1.26 -0.76 118.95 126.71 2pph s ARG 14 Ca 0.03 0.41 0.00 0.00 0.00 0.00 0.00 55.73 56.17 2pph s ARG 14 Cb -0.14 -3.23 0.01 0.00 0.00 0.00 0.00 34.95 31.59 2pph s ARG 14 CO -0.01 0.68 -0.00 1.03 0.00 0.00 0.00 175.30 176.99 2pph s ARG 15 N -1.03 0.10 -0.12 3.54 1.81 -0.08 -5.00 118.95 118.18 2pph s ARG 15 Ca 0.24 0.02 0.02 0.00 -1.72 0.00 0.00 55.73 54.28 2pph s ARG 15 Cb -0.17 -0.18 -0.01 0.00 -0.45 0.00 0.00 34.95 34.15 2pph s ARG 15 CO 0.13 -0.03 -0.18 0.42 -0.68 0.00 0.00 175.30 174.96 2pph s ILE 16 N 0.32 2.56 -0.03 1.52 1.09 -1.26 -1.47 121.20 123.93 2pph s ILE 16 Ca -0.03 -0.84 -0.01 0.00 -1.10 0.00 0.00 60.65 58.68 2pph s ILE 16 Cb -0.05 -2.04 0.03 0.00 -1.06 0.00 0.00 42.46 39.35 2pph s ILE 16 CO -0.01 0.54 0.06 -0.63 -0.10 0.00 0.00 174.94 174.80 2pph s ILE 17 N 0.38 -0.06 -0.03 2.92 1.01 -0.84 -4.97 121.20 119.60 2pph s ILE 17 Ca -0.14 0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.54 2pph s ILE 17 Cb -0.17 -0.13 -0.05 0.00 0.01 0.00 0.00 42.46 42.13 2pph s ILE 17 CO 0.07 0.09 0.52 0.00 0.00 0.00 0.00 174.94 175.62 2pph s ALA 18 N 1.15 3.53 -0.11 9.38 0.00 -1.26 -1.62 121.76 132.83 2pph s ALA 18 Ca -0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 2pph s ALA 18 Cb -0.13 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.37 2pph s ALA 18 CO -0.04 0.18 -0.09 -0.06 0.00 0.00 0.00 175.76 175.76 2pph s PHE 19 N -0.15 1.51 0.27 0.00 0.08 -0.35 -4.87 117.98 114.47 2pph s PHE 19 Ca 0.28 -0.73 -0.30 0.00 0.12 0.00 0.00 56.93 56.30 2pph s PHE 19 Cb -0.17 -1.22 -0.10 0.00 -0.57 0.00 0.00 43.02 40.96 2pph s PHE 19 CO 0.14 -0.49 1.38 -1.54 -0.10 0.00 0.00 175.22 174.62 2pph s SER 20 N 1.54 6.72 0.40 1.36 1.04 -1.26 -0.44 113.70 123.07 2pph s SER 20 Ca 0.02 2.64 -0.23 0.00 0.48 0.00 0.00 55.95 58.86 2pph s SER 20 Cb -0.13 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.26 2pph s SER 20 CO -0.07 -0.63 1.00 -0.13 0.98 0.00 0.00 173.24 174.40 2pph s ARG 21 N -0.79 4.22 0.11 4.02 0.52 -1.26 -3.66 118.95 122.12 2pph s ARG 21 Ca 0.56 1.35 -0.30 0.00 -0.52 0.00 0.00 55.73 56.82 2pph s ARG 21 Cb -0.40 -2.44 -0.06 0.00 0.52 0.00 0.00 34.95 32.56 2pph s ARG 21 CO 0.46 -0.07 1.04 -1.25 0.02 0.00 0.00 175.30 175.50 2pph s PRO 22 N -2.68 4.61 -0.16 3.54 0.04 -1.26 -4.97 135.00 134.13 2pph s PRO 22 Ca 0.59 1.57 -0.28 0.00 0.04 0.00 0.00 61.00 62.92 2pph s PRO 22 Cb -0.17 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.01 2pph s PRO 22 CO 0.22 0.08 0.96 0.54 0.04 0.00 0.00 177.00 178.83 2pph s VAL 23 N 0.18 4.79 -0.04 -0.36 0.11 -1.24 -5.04 120.40 118.80 2pph s VAL 23 Ca 0.50 1.90 -0.03 0.00 -2.93 0.00 0.00 61.98 61.43 2pph s VAL 23 Cb -0.26 -4.25 -0.04 0.00 -1.53 0.00 0.00 36.38 30.30 2pph s VAL 23 CO 0.31 -0.04 0.11 -0.54 -3.33 0.00 0.00 175.10 171.62 2pph s LYS 24 N 2.36 3.23 0.21 1.54 -0.14 -1.26 -5.01 119.74 120.67 2pph s LYS 24 Ca 0.44 -0.36 -0.10 0.00 -1.36 0.00 0.00 55.97 54.59 2pph s LYS 24 Cb -0.17 -2.98 0.17 0.00 -1.68 0.00 0.00 37.83 33.17 2pph s LYS 24 CO 0.13 0.69 1.88 -0.92 -0.76 0.00 0.00 175.35 176.37 2pph h TYR 25 N 4.35 1.00 -0.86 3.18 5.03 -1.96 -2.44 116.97 125.26 2pph h TYR 25 Ca -0.51 0.02 0.05 0.00 2.58 0.00 0.00 58.73 60.87 2pph h TYR 25 Cb 1.20 -0.34 -0.06 0.00 1.55 0.00 0.00 36.73 39.08 2pph h TYR 25 CO 0.67 0.64 0.55 1.49 -1.32 0.00 0.00 178.16 180.19 2pph h GLU 26 N 1.07 1.00 -0.47 1.82 4.81 -1.98 0.29 114.58 121.11 2pph h GLU 26 Ca 0.29 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2pph h GLU 26 Cb -0.10 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.04 2pph h GLU 26 CO -0.06 0.66 0.22 -0.44 -0.73 0.00 0.00 179.01 178.66 2pph h ASP 27 N 1.03 0.62 -0.05 1.04 3.32 -1.87 0.97 116.42 121.49 2pph h ASP 27 Ca 0.36 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 2pph h ASP 27 Cb 0.09 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 2pph h ASP 27 CO -0.15 0.58 -0.08 0.58 -1.72 0.00 0.00 179.24 178.46 2pph h VAL 28 N 0.62 1.41 -0.96 -1.35 2.07 -1.11 -3.03 116.25 113.91 2pph h VAL 28 Ca 0.16 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.36 2pph h VAL 28 Cb 0.13 2.20 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 2pph h VAL 28 CO -0.02 0.37 0.63 -0.08 0.02 0.00 0.00 177.57 178.49 2pph h GLU 29 N -0.35 1.19 -0.41 1.57 4.81 -0.40 0.69 114.58 121.68 2pph h GLU 29 Ca 0.00 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2pph h GLU 29 Cb 0.64 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 2pph h GLU 29 CO 0.02 0.79 0.20 0.45 -0.73 0.00 0.00 179.01 179.74 2pph h HIS 30 N 1.23 0.37 -0.05 0.92 3.86 -0.83 0.17 115.15 120.82 2pph h HIS 30 Ca 0.38 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.57 2pph h HIS 30 Cb -0.03 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.33 2pph h HIS 30 CO -0.01 0.19 -0.10 0.87 0.86 0.00 0.00 177.93 179.75 2pph h LYS 31 N 0.41 0.15 -0.47 2.45 1.57 -1.33 -2.67 116.57 116.68 2pph h LYS 31 Ca 0.17 -0.10 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 2pph h LYS 31 Cb 0.08 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 2pph h LYS 31 CO -0.12 0.68 0.22 0.28 -0.57 0.00 0.00 179.45 179.94 2pph h VAL 32 N -0.35 0.93 -0.83 0.50 2.07 -0.75 0.13 116.25 117.95 2pph h VAL 32 Ca 0.00 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2pph h VAL 32 Cb 0.67 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2pph h VAL 32 CO 0.02 0.08 0.47 0.74 0.02 0.00 0.00 177.57 178.90 2pph h THR 33 N 0.43 1.24 -0.23 2.57 2.02 -0.73 -1.85 112.91 116.36 2pph h THR 33 Ca 0.21 -0.56 -0.15 0.00 0.77 0.00 0.00 66.41 66.69 2pph h THR 33 Cb 0.14 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 2pph h THR 33 CO -0.17 0.26 -0.43 0.74 0.37 0.00 0.00 175.52 176.30 2pph h THR 34 N 1.15 1.31 -0.00 3.16 2.02 -1.00 0.79 112.91 120.34 2pph h THR 34 Ca 0.29 -1.64 0.00 0.00 0.77 0.00 0.00 66.41 65.84 2pph h THR 34 Cb -0.00 1.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2pph h THR 34 CO -0.05 0.52 0.00 0.58 0.37 0.00 0.00 175.52 176.94 2pph h VAL 35 N 0.40 1.01 0.00 3.16 2.07 -0.53 -3.05 116.25 119.31 2pph h VAL 35 Ca 0.01 -0.03 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 2pph h VAL 35 Cb 1.03 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 2pph h VAL 35 CO 0.10 0.01 -0.88 -0.26 0.02 0.00 0.00 177.57 176.56 2pph h PHE 36 N -0.01 0.00 0.00 1.57 0.04 -1.41 -3.48 116.94 113.65 2pph h PHE 36 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2pph h PHE 36 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2pph h PHE 36 CO -0.08 0.58 0.00 0.41 -0.60 0.00 0.00 178.31 178.62 2pph n GLY 37 N 1.30 0.68 3.36 -1.45 0.00 0.26 -5.05 105.19 104.29 2pph n GLY 37 Ca -0.02 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.72 0.90 -1.21 1.61 -0.21 -0.39 -4.96 119.66 114.68 2pph s GLN 38 Ca 0.00 -0.13 -0.21 0.00 0.02 0.00 0.00 55.36 55.03 2pph s GLN 38 Cb 0.00 0.41 -0.05 0.00 1.00 0.00 0.00 33.01 34.37 2pph s GLN 38 CO 0.00 -0.29 1.89 -0.35 -2.12 0.00 0.00 175.29 174.42 2pph n PRO 39 N 0.81 2.02 -2.52 2.91 -0.04 -1.26 -4.17 135.00 132.75 2pph n PRO 39 Ca -0.19 -2.67 -0.40 0.00 -0.04 0.00 0.00 63.50 60.19 2pph n PRO 39 Cb 0.58 -3.66 -0.05 0.00 -0.04 0.00 0.00 33.50 30.34 2pph n PRO 39 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pph s LEU 40 N 9.05 4.57 0.06 1.53 1.02 -1.26 -4.44 118.68 129.20 2pph s LEU 40 Ca 0.64 2.21 -0.22 0.00 0.02 0.00 0.00 54.13 56.78 2pph s LEU 40 Cb 0.01 -3.63 -0.06 0.00 0.02 0.00 0.00 46.19 42.53 2pph s LEU 40 CO 0.12 -0.09 0.67 -1.81 0.02 0.00 0.00 176.35 175.26 2pph s ASP 41 N -0.94 7.13 -0.27 2.29 1.01 -0.16 -4.87 116.67 120.86 2pph s ASP 41 Ca 0.44 1.35 -0.24 0.00 0.71 0.00 0.00 52.55 54.81 2pph s ASP 41 Cb -0.31 -2.41 -0.00 0.00 1.01 0.00 0.00 42.92 41.20 2pph s ASP 41 CO 0.39 0.13 0.79 -0.76 0.21 0.00 0.00 175.17 175.94 2pph s LEU 42 N -0.52 4.08 -0.24 1.23 1.43 -1.25 -2.12 118.68 121.29 2pph s LEU 42 Ca 0.33 0.83 -0.06 0.00 -1.03 0.00 0.00 54.13 54.21 2pph s LEU 42 Cb -0.20 -3.10 -0.02 0.00 0.03 0.00 0.00 46.19 42.90 2pph s LEU 42 CO 0.21 -0.55 0.02 -1.00 0.23 0.00 0.00 176.35 175.26 2pph s HIS 43 N 2.87 3.03 -0.11 0.29 3.76 0.81 0.20 115.29 126.14 2pph s HIS 43 Ca 0.33 -0.71 0.03 0.00 -0.15 0.00 0.00 55.06 54.56 2pph s HIS 43 Cb -0.15 -2.18 0.00 0.00 1.11 0.00 0.00 32.58 31.37 2pph s HIS 43 CO 0.10 -0.47 -0.23 -0.47 -0.85 0.00 0.00 174.74 172.82 2pph s TYR 44 N 1.54 2.57 -0.24 1.40 6.14 -0.28 0.28 117.35 128.76 2pph s TYR 44 Ca 0.06 -1.13 -0.05 0.00 0.64 0.00 0.00 57.07 56.58 2pph s TYR 44 Cb -0.15 -1.73 -0.01 0.00 0.42 0.00 0.00 41.96 40.50 2pph s TYR 44 CO 0.00 -0.48 0.00 -1.64 0.64 0.00 0.00 175.55 174.07 2pph s MET 45 N 0.50 3.32 0.01 4.97 -1.94 -1.26 -1.03 119.30 123.88 2pph s MET 45 Ca -0.15 -0.68 -0.09 0.00 -1.71 0.00 0.00 55.69 53.06 2pph s MET 45 Cb -0.17 -3.14 -0.05 0.00 2.01 0.00 0.00 34.83 33.48 2pph s MET 45 CO 0.05 -0.26 1.10 -0.91 -0.01 0.00 0.00 175.02 174.99 2pph h ASN 46 N 8.15 -0.28 0.00 3.03 2.35 -1.93 -3.48 115.58 123.42 2pph h ASN 46 Ca -0.38 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 2pph h ASN 46 Cb 1.15 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.59 2pph h ASN 46 CO 0.60 -0.19 0.00 0.59 -1.65 0.00 0.00 177.43 176.77 2pph n ASN 47 N -2.91 -2.48 -0.01 5.81 3.02 -1.26 -4.95 115.26 112.48 2pph n ASN 47 Ca -0.04 0.74 0.02 0.00 -0.03 0.00 0.00 54.58 55.26 2pph n ASN 47 Cb 0.13 2.40 0.02 0.00 -0.61 0.00 0.00 39.78 41.72 2pph n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2pph n GLU 48 N -3.48 2.59 -4.25 3.52 1.02 -1.26 -5.05 120.64 113.74 2pph n GLU 48 Ca 0.00 -1.62 -0.15 0.00 -0.02 0.00 0.00 57.16 55.37 2pph n GLU 48 Cb 0.00 -1.05 -0.10 0.00 -0.02 0.00 0.00 31.44 30.27 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 -1.24 2.51 -0.20 -4.62 2.01 -1.26 -5.14 118.68 110.74 2pph s LEU 49 Ca 0.05 -0.98 0.00 0.00 0.01 0.00 0.00 54.13 53.21 2pph s LEU 49 Cb 0.04 -0.38 0.02 0.00 0.01 0.00 0.00 46.19 45.88 2pph s LEU 49 CO 0.00 -0.30 -0.15 -0.94 1.01 0.00 0.00 176.35 175.97 2pph s SER 50 N -3.06 3.58 -0.10 2.29 1.04 -1.26 -2.95 113.70 113.24 2pph s SER 50 Ca 0.16 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.89 2pph s SER 50 Cb 0.01 -1.55 -0.02 0.00 0.10 0.00 0.00 66.02 64.56 2pph s SER 50 CO 0.01 -0.04 -0.13 -0.63 0.98 0.00 0.00 173.24 173.44 2pph s ILE 51 N 1.31 3.13 -0.24 -1.02 1.01 -0.20 -5.01 121.20 120.18 2pph s ILE 51 Ca 0.03 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 2pph s ILE 51 Cb -0.14 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 2pph s ILE 51 CO -0.10 0.55 0.32 -0.22 0.00 0.00 0.00 174.94 175.49 2pph s LEU 52 N -0.08 4.10 -1.16 2.97 0.20 -1.26 -1.13 118.68 122.32 2pph s LEU 52 Ca -0.02 0.32 -0.13 0.00 0.69 0.00 0.00 54.13 54.99 2pph s LEU 52 Cb -0.14 -2.37 0.20 0.00 -0.43 0.00 0.00 46.19 43.45 2pph s LEU 52 CO 0.04 -0.07 1.33 -0.76 -0.29 0.00 0.00 176.35 176.59 2pph s LEU 53 N 1.51 5.40 -0.18 -0.68 1.43 0.13 -4.67 118.68 121.61 2pph s LEU 53 Ca 0.14 -3.08 0.11 0.00 -1.03 0.00 0.00 54.13 50.28 2pph s LEU 53 Cb -0.15 -2.35 -0.19 0.00 0.03 0.00 0.00 46.19 43.53 2pph s LEU 53 CO 0.08 -0.65 -0.01 1.17 0.23 0.00 0.00 176.35 177.16 2pph n LYS 54 N 4.96 1.06 -3.88 1.70 4.81 -1.26 -3.87 118.16 121.69 2pph n LYS 54 Ca 0.32 0.03 -0.22 0.00 -0.87 0.00 0.00 58.31 57.58 2pph n LYS 54 Cb 0.42 -1.43 -0.04 0.00 0.02 0.00 0.00 35.03 34.00 2pph n LYS 54 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2pph s ASN 55 N -5.34 5.08 0.32 3.14 0.01 -1.26 -5.03 114.94 111.87 2pph s ASN 55 Ca -0.14 -0.60 0.02 0.00 -0.71 0.00 0.00 52.86 51.42 2pph s ASN 55 Cb 0.06 -0.86 0.56 0.00 0.41 0.00 0.00 41.25 41.41 2pph s ASN 55 CO 0.63 -0.37 1.91 1.56 -1.51 0.00 0.00 177.10 179.32 2pph h GLN 56 N 1.32 0.72 -0.80 -0.60 1.08 -2.00 -2.65 115.11 112.17 2pph h GLN 56 Ca -0.44 -0.11 0.09 0.00 -1.45 0.00 0.00 58.65 56.74 2pph h GLN 56 Cb 1.25 -0.13 -0.07 0.00 -0.05 0.00 0.00 27.48 28.49 2pph h GLN 56 CO 0.60 0.61 0.46 -0.44 -0.95 0.00 0.00 178.83 179.10 2pph h ASP 57 N 0.71 0.66 -0.55 1.46 5.19 -1.99 0.36 116.42 122.25 2pph h ASP 57 Ca 0.17 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2pph h ASP 57 Cb 0.17 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.57 2pph h ASP 57 CO -0.01 0.38 0.36 0.44 -3.12 0.00 0.00 179.24 177.29 2pph h ASP 58 N 0.78 0.64 -0.57 6.45 3.32 -1.82 -1.50 116.42 123.72 2pph h ASP 58 Ca 0.38 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.32 2pph h ASP 58 Cb 0.33 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2pph h ASP 58 CO -0.24 0.47 -0.01 0.25 -1.72 0.00 0.00 179.24 178.00 2pph h LEU 59 N 0.75 0.99 -0.80 1.55 6.46 -1.30 -2.32 115.31 120.64 2pph h LEU 59 Ca 0.20 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 2pph h LEU 59 Cb -0.08 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.54 2pph h LEU 59 CO -0.04 1.06 0.47 -0.78 -0.62 0.00 0.00 178.44 178.53 2pph h ASP 60 N 0.90 0.98 -0.36 1.25 3.58 -0.61 -2.11 116.42 120.04 2pph h ASP 60 Ca 0.16 -0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.44 2pph h ASP 60 Cb 0.56 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 2pph h ASP 60 CO 0.03 0.77 -0.10 0.11 -2.88 0.00 0.00 179.24 177.17 2pph h LYS 61 N 1.11 0.79 -0.37 0.28 1.57 -1.15 -2.06 116.57 116.74 2pph h LYS 61 Ca 0.29 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2pph h LYS 61 Cb -0.02 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2pph h LYS 61 CO -0.05 0.86 0.15 0.00 -0.57 0.00 0.00 179.45 179.84 2pph h ALA 62 N 1.18 0.48 -0.56 3.86 0.00 -0.94 -2.53 119.26 120.76 2pph h ALA 62 Ca 0.12 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2pph h ALA 62 Cb 0.57 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2pph h ALA 62 CO 0.04 0.08 0.01 0.82 0.00 0.00 0.00 179.25 180.19 2pph h ILE 63 N 0.45 1.26 -0.92 0.00 1.08 -1.31 -2.73 117.51 115.35 2pph h ILE 63 Ca 0.12 -1.11 0.10 0.00 -0.39 0.00 0.00 64.86 63.59 2pph h ILE 63 Cb 0.18 0.87 -0.08 0.00 -3.07 0.00 0.00 36.82 34.73 2pph h ILE 63 CO -0.01 0.40 0.56 -0.78 -0.69 0.00 0.00 178.15 177.62 2pph h ASP 64 N 0.86 0.83 -0.50 1.72 3.58 -1.21 -0.59 116.42 121.11 2pph h ASP 64 Ca 0.16 0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.56 2pph h ASP 64 Cb 0.53 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 2pph h ASP 64 CO 0.03 0.47 -0.06 0.40 -2.88 0.00 0.00 179.24 177.20 2pph h ILE 65 N 0.93 1.27 -0.67 2.25 2.04 -1.27 -2.92 117.51 119.14 2pph h ILE 65 Ca 0.44 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 2pph h ILE 65 Cb 0.38 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2pph h ILE 65 CO -0.24 0.41 0.30 0.25 0.00 0.00 0.00 178.15 178.86 2pph h LEU 66 N 0.77 0.90 -1.21 1.44 5.85 -1.02 -2.07 115.31 119.98 2pph h LEU 66 Ca 0.13 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.74 2pph h LEU 66 Cb 0.59 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2pph h LEU 66 CO 0.04 0.80 0.55 -0.78 -0.34 0.00 0.00 178.44 178.70 2pph h ASP 67 N 0.94 0.88 0.50 1.25 3.58 -1.04 -1.85 116.42 120.67 2pph h ASP 67 Ca 0.23 -0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.52 2pph h ASP 67 Cb 0.16 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 2pph h ASP 67 CO -0.02 0.60 -0.66 -0.09 -2.88 0.00 0.00 179.24 176.19 2pph h ARG 68 N 1.02 0.15 -4.04 0.28 2.43 -1.29 -3.39 114.38 109.55 2pph h ARG 68 Ca 0.34 -0.11 -0.77 0.00 -0.81 0.00 0.00 59.98 58.63 2pph h ARG 68 Cb 0.06 0.02 -0.25 0.00 -0.42 0.00 0.00 29.97 29.38 2pph h ARG 68 CO -0.10 0.75 0.08 0.45 -1.51 0.00 0.00 179.97 179.63 2pph s SER 69 N -6.88 6.58 0.34 -3.80 0.15 -0.70 -4.89 113.70 104.50 2pph s SER 69 Ca -0.03 -2.35 0.10 0.00 0.70 0.00 0.00 55.95 54.37 2pph s SER 69 Cb 0.12 -2.23 0.60 0.00 -1.71 0.00 0.00 66.02 62.80 2pph s SER 69 CO 0.79 -0.71 1.78 0.77 1.20 0.00 0.00 173.24 177.06 2pph h SER 70 N 8.21 0.14 -0.70 5.45 4.64 -1.77 -3.07 113.55 126.45 2pph h SER 70 Ca -0.01 -0.05 0.07 0.00 -0.47 0.00 0.00 61.79 61.32 2pph h SER 70 Cb 1.06 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 63.05 2pph h SER 70 CO 0.87 0.50 0.39 0.77 -0.87 0.00 0.00 176.83 178.49 2pph h SER 71 N 0.12 0.58 -3.95 4.97 4.64 -1.91 -3.42 113.55 114.57 2pph h SER 71 Ca 0.01 0.03 -0.49 0.00 -0.47 0.00 0.00 61.79 60.87 2pph h SER 71 Cb 0.71 -0.08 0.03 0.00 -0.31 0.00 0.00 62.40 62.75 2pph h SER 71 CO 0.05 0.37 0.25 -0.32 -0.87 0.00 0.00 176.83 176.31 2pph s MET 72 N -6.08 3.71 0.04 4.77 0.00 -1.16 -4.99 119.30 115.59 2pph s MET 72 Ca -0.13 0.58 0.00 0.00 0.00 0.00 0.00 55.69 56.15 2pph s MET 72 Cb 0.17 -2.25 0.00 0.00 0.00 0.00 0.00 34.83 32.75 2pph s MET 72 CO 0.76 -0.27 0.00 1.63 0.00 0.00 0.00 175.02 177.14 2pph n LYS 73 N -1.98 0.00 -2.80 4.11 5.02 -1.26 -4.96 118.16 116.29 2pph n LYS 73 Ca 0.04 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.00 2pph n LYS 73 Cb 0.54 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.49 2pph n LYS 73 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2pph s SER 74 N -4.44 6.91 -0.16 4.39 0.01 -1.26 -4.58 113.70 114.57 2pph s SER 74 Ca 0.00 1.72 -0.01 0.00 1.31 0.00 0.00 55.95 58.97 2pph s SER 74 Cb 0.00 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 2pph s SER 74 CO 0.00 -0.38 -0.11 -0.76 0.41 0.00 0.00 173.24 172.40 2pph s LEU 75 N -3.15 2.73 -0.44 2.44 2.01 -1.20 -4.93 118.68 116.14 2pph s LEU 75 Ca 0.62 -0.37 -0.20 0.00 0.01 0.00 0.00 54.13 54.19 2pph s LEU 75 Cb -0.10 -1.64 0.02 0.00 0.01 0.00 0.00 46.19 44.49 2pph s LEU 75 CO 0.14 0.10 0.59 -0.13 1.01 0.00 0.00 176.35 178.07 2pph s ARG 76 N 0.73 3.23 -0.05 1.70 0.52 -1.25 -1.13 118.95 122.70 2pph s ARG 76 Ca -0.05 -0.48 0.03 0.00 -0.52 0.00 0.00 55.73 54.71 2pph s ARG 76 Cb -0.15 -3.96 0.01 0.00 0.52 0.00 0.00 34.95 31.37 2pph s ARG 76 CO 0.02 -0.98 -0.12 0.42 0.02 0.00 0.00 175.30 174.65 2pph s ILE 77 N 2.66 1.12 -0.17 1.52 1.01 -1.07 -4.37 121.20 121.89 2pph s ILE 77 Ca 0.20 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 2pph s ILE 77 Cb -0.15 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 2pph s ILE 77 CO 0.18 0.34 0.09 -0.76 0.00 0.00 0.00 174.94 174.79 2pph s LEU 78 N 0.45 4.01 -0.11 2.97 1.02 0.14 -1.81 118.68 125.35 2pph s LEU 78 Ca -0.10 0.19 -0.15 0.00 0.02 0.00 0.00 54.13 54.08 2pph s LEU 78 Cb -0.14 -2.01 -0.05 0.00 0.02 0.00 0.00 46.19 44.02 2pph s LEU 78 CO 0.03 0.22 0.38 -0.76 0.02 0.00 0.00 176.35 176.24 2pph s LEU 79 N 0.09 4.31 -0.05 1.79 1.43 -1.08 -0.13 118.68 125.02 2pph s LEU 79 Ca 0.07 0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 53.84 2pph s LEU 79 Cb -0.12 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.60 2pph s LEU 79 CO 0.00 0.12 0.14 -0.76 0.23 0.00 0.00 176.35 176.07 2pph s LEU 80 N 0.17 1.29 -0.16 1.79 1.43 -0.90 -4.81 118.68 117.49 2pph s LEU 80 Ca 0.21 0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 53.30 2pph s LEU 80 Cb -0.14 0.43 -0.03 0.00 0.03 0.00 0.00 46.19 46.47 2pph s LEU 80 CO 0.08 -0.07 1.53 -0.94 0.23 0.00 0.00 176.35 177.17 2pph s SER 81 N 0.37 6.62 -0.21 2.29 1.04 -1.26 -0.99 113.70 121.56 2pph s SER 81 Ca -0.02 1.80 0.23 0.00 0.48 0.00 0.00 55.95 58.43 2pph s SER 81 Cb -0.04 -2.53 0.49 0.00 0.10 0.00 0.00 66.02 64.04 2pph s SER 81 CO -0.02 -1.03 1.13 0.00 0.98 0.00 0.00 173.24 174.30 2pph n GLN 82 N 7.23 1.48 -4.00 4.02 1.13 -1.26 -4.95 117.38 121.03 2pph n GLN 82 Ca 0.17 -3.24 -0.31 0.00 -1.94 0.00 0.00 57.00 51.67 2pph n GLN 82 Cb 0.44 -1.33 -0.15 0.00 0.11 0.00 0.00 30.24 29.32 2pph n GLN 82 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2pph s ASP 83 N -3.44 4.82 -0.09 1.08 2.15 -1.26 -4.90 116.67 115.02 2pph s ASP 83 Ca 0.30 -2.15 -0.00 0.00 0.43 0.00 0.00 52.55 51.12 2pph s ASP 83 Cb 0.34 -1.65 -0.06 0.00 -0.30 0.00 0.00 42.92 41.25 2pph s ASP 83 CO -0.06 -0.40 -0.09 0.54 -0.17 0.00 0.00 175.17 174.99 2pph n ARG 84 N 4.28 0.23 -3.83 4.34 1.74 -1.26 -5.06 116.66 117.10 2pph n ARG 84 Ca 0.03 0.06 0.01 0.00 -0.77 0.00 0.00 57.85 57.18 2pph n ARG 84 Cb 0.42 -1.12 0.01 0.00 -1.02 0.00 0.00 32.46 30.75 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 -5.10 -0.03 -0.95 0.55 4.22 -1.26 -5.04 114.94 107.32 2pph s ASN 85 Ca -0.13 -0.29 -0.05 0.00 -2.14 0.00 0.00 52.86 50.25 2pph s ASN 85 Cb 0.04 0.25 0.06 0.00 1.28 0.00 0.00 41.25 42.87 2pph s ASN 85 CO 0.21 -0.48 2.65 0.18 -2.04 0.00 0.00 177.10 177.61 2pph n LEU 86 N -0.69 7.37 0.00 3.54 7.99 -1.26 -4.98 117.00 128.96 2pph n LEU 86 Ca -0.02 -4.45 0.03 0.00 -0.01 0.00 0.00 56.01 51.56 2pph n LEU 86 Cb 0.60 -1.34 -0.01 0.00 -0.11 0.00 0.00 43.42 42.57 2pph n LEU 86 CO 0.15 1.93 -0.04 -0.62 -1.51 0.00 0.00 177.39 177.30 2pph n GLU 87 N 1.62 -0.46 -3.37 3.23 4.71 -1.26 -4.70 120.64 120.41 2pph n GLU 87 Ca 0.58 0.30 -0.38 0.00 -0.01 0.00 0.00 57.16 57.65 2pph n GLU 87 Cb 0.40 -0.56 -0.07 0.00 -1.01 0.00 0.00 31.44 30.20 2pph n GLU 87 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 2pph s HIS 88 N -0.35 3.45 0.29 -0.32 2.46 -1.26 -5.04 115.29 114.51 2pph s HIS 88 Ca 0.00 0.74 -0.19 0.00 0.47 0.00 0.00 55.06 56.08 2pph s HIS 88 Cb 0.00 -2.52 0.07 0.00 -0.13 0.00 0.00 32.58 30.00 2pph s HIS 88 CO 0.00 0.10 0.91 -1.58 -2.47 0.00 0.00 174.74 171.70 2pph s HIS 89 N 0.90 0.10 0.31 3.88 2.46 -1.26 -5.20 115.29 116.48 2pph s HIS 89 Ca 0.22 -0.65 -0.14 0.00 0.47 0.00 0.00 55.06 54.96 2pph s HIS 89 Cb -0.15 0.78 0.02 0.00 -0.13 0.00 0.00 32.58 33.10 2pph s HIS 89 CO 0.08 -1.26 0.63 -3.38 -2.47 0.00 0.00 174.74 168.34 2pph s HIS 90 N -2.22 0.26 0.33 3.88 -3.43 -1.26 -5.15 115.29 107.70 2pph s HIS 90 Ca 0.19 -0.72 -0.28 0.00 -0.80 0.00 0.00 55.06 53.45 2pph s HIS 90 Cb -0.04 0.48 -0.10 0.00 -1.43 0.00 0.00 32.58 31.49 2pph s HIS 90 CO 0.08 -1.25 1.27 -1.01 -2.00 0.00 0.00 174.74 171.83 2pph s HIS 91 N -3.33 3.11 0.05 0.38 3.76 -1.26 -5.00 115.29 112.99 2pph s HIS 91 Ca 0.19 1.47 -0.23 0.00 -0.15 0.00 0.00 55.06 56.33 2pph s HIS 91 Cb -0.03 -3.61 -0.06 0.00 1.11 0.00 0.00 32.58 29.99 2pph s HIS 91 CO 0.11 -1.65 0.68 -1.58 -0.85 0.00 0.00 174.74 171.45 2pph s HIS 92 N -1.17 3.75 -2.00 1.40 2.46 -1.26 -5.37 115.29 113.10 2pph s HIS 92 Ca 0.49 1.37 0.18 0.00 0.47 0.00 0.00 55.06 57.57 2pph s HIS 92 Cb -0.38 -2.70 1.08 0.00 -0.13 0.00 0.00 32.58 30.45 2pph s HIS 92 CO 0.50 0.37 1.48 0.72 -2.47 0.00 0.00 174.74 175.34