#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 -0.52 -0.42 1.08 0.15 -1.26 -4.87 113.70 107.85 2pph s SER 2 Ca 0.00 0.15 -0.28 0.00 0.70 0.00 0.00 55.95 56.52 2pph s SER 2 Cb 0.00 0.52 -0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2pph s SER 2 CO 0.00 -0.79 1.58 -0.62 1.20 0.00 0.00 173.24 174.61 2pph s ASP 3 N -2.32 6.08 -0.22 5.45 -1.08 -1.26 -3.05 116.67 120.27 2pph s ASP 3 Ca -0.00 0.88 -0.10 0.00 -0.52 0.00 0.00 52.55 52.80 2pph s ASP 3 Cb -0.01 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.87 2pph s ASP 3 CO -0.07 -1.64 0.15 -0.69 0.52 0.00 0.00 175.17 173.44 2pph s VAL 4 N 6.29 5.38 -0.22 1.11 1.01 0.11 -4.85 120.40 129.23 2pph s VAL 4 Ca 0.67 0.19 -0.23 0.00 0.00 0.00 0.00 61.98 62.61 2pph s VAL 4 Cb -0.16 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 2pph s VAL 4 CO 0.31 0.39 0.74 -0.13 0.00 0.00 0.00 175.10 176.41 2pph s ARG 5 N 0.73 4.20 -0.14 2.72 0.52 -1.26 -2.21 118.95 123.51 2pph s ARG 5 Ca 0.08 0.79 -0.02 0.00 -0.52 0.00 0.00 55.73 56.06 2pph s ARG 5 Cb -0.12 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.71 2pph s ARG 5 CO 0.01 -0.38 -0.08 0.42 0.02 0.00 0.00 175.30 175.29 2pph s ILE 6 N 2.36 3.47 -0.34 1.52 1.01 -0.91 -3.20 121.20 125.11 2pph s ILE 6 Ca 0.32 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 2pph s ILE 6 Cb -0.16 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.83 2pph s ILE 6 CO 0.09 0.51 0.19 -0.54 0.00 0.00 0.00 174.94 175.19 2pph s LYS 7 N 0.34 3.14 0.00 2.79 1.02 -0.66 -2.39 119.74 123.99 2pph s LYS 7 Ca -0.08 -0.86 -0.07 0.00 0.02 0.00 0.00 55.97 54.98 2pph s LYS 7 Cb -0.15 -3.67 -0.05 0.00 -0.52 0.00 0.00 37.83 33.44 2pph s LYS 7 CO 0.04 -0.54 0.28 -0.06 -0.92 0.00 0.00 175.35 174.15 2pph s PHE 8 N 1.61 3.59 -0.05 3.18 0.40 -0.12 -2.99 117.98 123.60 2pph s PHE 8 Ca 0.04 0.62 0.00 0.00 -0.60 0.00 0.00 56.93 56.99 2pph s PHE 8 Cb -0.18 -2.02 0.02 0.00 0.51 0.00 0.00 43.02 41.35 2pph s PHE 8 CO 0.07 0.62 -0.02 -2.00 0.70 0.00 0.00 175.22 174.59 2pph s GLU 9 N -1.67 0.63 -0.16 0.44 2.12 -0.99 -0.84 118.70 118.24 2pph s GLU 9 Ca 0.27 -0.01 -0.05 0.00 0.36 0.00 0.00 54.97 55.54 2pph s GLU 9 Cb -0.13 -0.77 0.08 0.00 0.26 0.00 0.00 34.13 33.57 2pph s GLU 9 CO 0.15 -0.14 0.29 -1.58 -0.54 0.00 0.00 175.26 173.44 2pph s HIS 10 N 1.18 -0.50 -1.53 5.30 2.46 -0.68 -0.69 115.29 120.83 2pph s HIS 10 Ca -0.07 0.97 -0.05 0.00 0.47 0.00 0.00 55.06 56.37 2pph s HIS 10 Cb -0.14 -0.02 0.01 0.00 -0.13 0.00 0.00 32.58 32.31 2pph s HIS 10 CO -0.02 -0.43 0.61 -1.71 -2.47 0.00 0.00 174.74 170.73 2pph n ASN 11 N 5.36 -5.90 0.00 9.88 2.85 -1.26 -1.13 115.26 125.05 2pph n ASN 11 Ca -0.06 -0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.10 2pph n ASN 11 Cb 0.50 -4.77 0.00 0.00 1.24 0.00 0.00 39.78 36.75 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 -1.50 0.67 3.46 8.20 0.00 -1.26 -5.01 105.19 109.74 2pph n GLY 12 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.05 3.05 0.01 1.61 2.12 -0.28 -5.07 118.70 120.08 2pph s GLU 13 Ca 0.00 -0.95 -0.12 0.00 0.36 0.00 0.00 54.97 54.26 2pph s GLU 13 Cb 0.00 -3.91 -0.05 0.00 0.26 0.00 0.00 34.13 30.42 2pph s GLU 13 CO 0.00 -0.68 0.36 -0.98 -0.54 0.00 0.00 175.26 173.42 2pph s ARG 14 N 1.67 3.79 -0.04 4.30 1.70 -1.26 -1.68 118.95 127.43 2pph s ARG 14 Ca 0.05 0.25 -0.05 0.00 -0.47 0.00 0.00 55.73 55.51 2pph s ARG 14 Cb -0.19 -3.15 0.01 0.00 -0.57 0.00 0.00 34.95 31.06 2pph s ARG 14 CO 0.10 0.67 0.13 1.03 -1.08 0.00 0.00 175.30 176.14 2pph s ARG 15 N -1.34 0.19 -0.15 3.89 0.52 -0.02 -4.99 118.95 117.06 2pph s ARG 15 Ca 0.25 0.11 -0.02 0.00 -0.52 0.00 0.00 55.73 55.55 2pph s ARG 15 Cb -0.15 0.09 -0.02 0.00 0.52 0.00 0.00 34.95 35.39 2pph s ARG 15 CO 0.14 -0.03 -0.09 0.42 0.02 0.00 0.00 175.30 175.75 2pph s ILE 16 N -0.11 3.29 -0.01 1.52 1.01 -1.26 -0.94 121.20 124.69 2pph s ILE 16 Ca -0.02 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.09 2pph s ILE 16 Cb -0.02 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 40.03 2pph s ILE 16 CO 0.00 0.50 -0.07 -0.63 0.00 0.00 0.00 174.94 174.74 2pph s ILE 17 N 0.57 0.60 -0.02 2.92 1.09 -1.00 -5.02 121.20 120.34 2pph s ILE 17 Ca -0.06 -0.29 -0.18 0.00 -1.10 0.00 0.00 60.65 59.02 2pph s ILE 17 Cb -0.15 -0.53 -0.05 0.00 -1.06 0.00 0.00 42.46 40.67 2pph s ILE 17 CO 0.03 0.18 0.51 0.00 -0.10 0.00 0.00 174.94 175.57 2pph s ALA 18 N 0.05 3.55 -0.11 9.38 0.00 -1.26 -2.13 121.76 131.24 2pph s ALA 18 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.85 2pph s ALA 18 Cb -0.05 -2.61 0.04 0.00 0.00 0.00 0.00 23.12 20.49 2pph s ALA 18 CO -0.00 0.24 0.02 -0.06 0.00 0.00 0.00 175.76 175.96 2pph s PHE 19 N -0.37 0.71 -0.06 0.00 0.08 -0.94 -4.99 117.98 112.42 2pph s PHE 19 Ca 0.27 -0.34 -0.16 0.00 0.12 0.00 0.00 56.93 56.83 2pph s PHE 19 Cb -0.17 -0.84 -0.05 0.00 -0.57 0.00 0.00 43.02 41.38 2pph s PHE 19 CO 0.15 -0.41 0.42 0.45 -0.10 0.00 0.00 175.22 175.73 2pph s SER 20 N 1.96 6.72 0.56 1.36 0.15 -1.26 0.04 113.70 123.23 2pph s SER 20 Ca 0.03 0.86 -0.15 0.00 0.70 0.00 0.00 55.95 57.39 2pph s SER 20 Cb -0.14 -2.25 -0.06 0.00 -1.71 0.00 0.00 66.02 61.86 2pph s SER 20 CO -0.06 0.18 1.01 -0.13 1.20 0.00 0.00 173.24 175.44 2pph s ARG 21 N -0.29 3.71 -0.04 5.44 0.52 -1.17 -3.89 118.95 123.23 2pph s ARG 21 Ca 0.24 0.97 -0.30 0.00 -0.52 0.00 0.00 55.73 56.12 2pph s ARG 21 Cb -0.16 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 2pph s ARG 21 CO 0.11 -0.48 1.22 -1.25 0.02 0.00 0.00 175.30 174.92 2pph s PRO 22 N -4.31 4.35 -0.17 3.54 0.04 -1.26 -4.60 135.00 132.59 2pph s PRO 22 Ca 0.59 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 63.29 2pph s PRO 22 Cb -0.12 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 2pph s PRO 22 CO 0.37 -0.44 -0.01 0.54 0.04 0.00 0.00 177.00 177.50 2pph s VAL 23 N 2.15 4.05 0.07 -0.36 0.11 -1.25 -5.10 120.40 120.07 2pph s VAL 23 Ca 0.57 -0.29 -0.13 0.00 -2.93 0.00 0.00 61.98 59.20 2pph s VAL 23 Cb -0.26 -2.80 -0.06 0.00 -1.53 0.00 0.00 36.38 31.73 2pph s VAL 23 CO 0.23 0.47 0.44 -0.54 -3.33 0.00 0.00 175.10 172.37 2pph s LYS 24 N 0.54 3.88 0.29 1.54 1.02 -1.26 -4.99 119.74 120.75 2pph s LYS 24 Ca -0.01 0.34 0.00 0.00 0.02 0.00 0.00 55.97 56.32 2pph s LYS 24 Cb -0.14 -3.06 0.50 0.00 -0.52 0.00 0.00 37.83 34.61 2pph s LYS 24 CO 0.02 0.59 1.88 -0.92 -0.92 0.00 0.00 175.35 176.00 2pph h TYR 25 N 4.03 1.13 -0.67 3.18 3.20 -1.96 -1.39 116.97 124.50 2pph h TYR 25 Ca -0.50 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.33 2pph h TYR 25 Cb 1.20 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 2pph h TYR 25 CO 0.68 0.54 0.13 0.93 -1.64 0.00 0.00 178.16 178.80 2pph h GLU 26 N 1.07 1.07 -0.49 1.82 5.08 -1.98 -0.51 114.58 120.63 2pph h GLU 26 Ca 0.44 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2pph h GLU 26 Cb 0.29 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2pph h GLU 26 CO -0.19 0.97 0.23 -0.44 -1.00 0.00 0.00 179.01 178.57 2pph h ASP 27 N 1.01 0.65 -0.09 1.42 5.19 -1.68 0.63 116.42 123.56 2pph h ASP 27 Ca 0.21 -0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 2pph h ASP 27 Cb 0.40 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 2pph h ASP 27 CO 0.01 0.61 -0.05 0.58 -3.12 0.00 0.00 179.24 177.26 2pph h VAL 28 N 0.65 1.33 -1.01 -1.35 2.07 -1.22 -2.89 116.25 113.83 2pph h VAL 28 Ca 0.17 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.59 2pph h VAL 28 Cb 0.13 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 2pph h VAL 28 CO -0.02 0.31 0.67 -0.08 0.02 0.00 0.00 177.57 178.47 2pph h GLU 29 N -0.19 1.32 -1.01 1.57 4.81 -1.02 -1.30 114.58 118.76 2pph h GLU 29 Ca 0.02 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2pph h GLU 29 Cb 0.52 -0.30 -0.06 0.00 0.63 0.00 0.00 28.75 29.54 2pph h GLU 29 CO 0.02 0.88 0.66 0.45 -0.73 0.00 0.00 179.01 180.28 2pph h HIS 30 N 1.36 1.24 -0.15 0.92 3.86 -0.84 0.14 115.15 121.68 2pph h HIS 30 Ca 0.37 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.56 2pph h HIS 30 Cb -0.16 -0.41 -0.00 0.00 1.06 0.00 0.00 27.41 27.90 2pph h HIS 30 CO -0.00 0.70 -0.11 -0.22 0.86 0.00 0.00 177.93 179.16 2pph h LYS 31 N 1.26 0.33 -0.16 2.45 3.64 -1.17 -2.33 116.57 120.61 2pph h LYS 31 Ca 0.41 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2pph h LYS 31 Cb 0.02 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2pph h LYS 31 CO -0.13 0.69 0.10 0.28 -2.27 0.00 0.00 179.45 178.12 2pph h VAL 32 N -0.02 1.03 -0.81 2.00 2.07 -0.80 -0.83 116.25 118.88 2pph h VAL 32 Ca 0.03 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2pph h VAL 32 Cb 0.61 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2pph h VAL 32 CO 0.03 0.04 0.49 0.00 0.02 0.00 0.00 177.57 178.15 2pph h THR 33 N 0.20 1.22 -0.18 2.57 1.03 -0.77 -1.99 112.91 115.01 2pph h THR 33 Ca 0.06 -0.49 -0.07 0.00 -0.01 0.00 0.00 66.41 65.89 2pph h THR 33 Cb -0.01 0.08 -0.00 0.00 -1.07 0.00 0.00 68.15 67.14 2pph h THR 33 CO -0.02 0.24 -0.18 0.74 -0.01 0.00 0.00 175.52 176.28 2pph h THR 34 N 1.12 1.34 -0.07 0.00 2.02 -1.11 0.55 112.91 116.76 2pph h THR 34 Ca 0.29 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 66.13 2pph h THR 34 Cb -0.05 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2pph h THR 34 CO -0.06 0.40 0.05 0.58 0.37 0.00 0.00 175.52 176.87 2pph h VAL 35 N 0.09 1.02 0.00 3.16 2.07 -0.97 -2.89 116.25 118.72 2pph h VAL 35 Ca 0.03 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 2pph h VAL 35 Cb 0.72 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2pph h VAL 35 CO 0.04 0.02 -0.45 -0.26 0.02 0.00 0.00 177.57 176.95 2pph h PHE 36 N 0.10 0.00 -0.14 1.57 0.04 -1.43 -3.48 116.94 113.61 2pph h PHE 36 Ca 0.03 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 2pph h PHE 36 Cb -0.01 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 2pph h PHE 36 CO -0.07 0.36 -0.05 0.41 -0.60 0.00 0.00 178.31 178.35 2pph n GLY 37 N 1.20 0.60 3.42 -1.45 0.00 0.19 -5.02 105.19 104.13 2pph n GLY 37 Ca 0.02 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.18 0.87 -0.56 1.61 -0.21 -0.85 -5.00 119.66 113.34 2pph s GLN 38 Ca 0.00 0.20 -0.28 0.00 0.02 0.00 0.00 55.36 55.30 2pph s GLN 38 Cb 0.00 0.40 0.00 0.00 1.00 0.00 0.00 33.01 34.42 2pph s GLN 38 CO 0.00 -0.24 1.54 -1.25 -2.12 0.00 0.00 175.29 173.21 2pph s PRO 39 N -0.99 3.16 -0.09 2.91 0.04 -1.26 -4.43 135.00 134.34 2pph s PRO 39 Ca -0.10 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 61.48 2pph s PRO 39 Cb -0.02 -4.19 -0.03 0.00 0.04 0.00 0.00 34.50 30.30 2pph s PRO 39 CO 0.07 -2.10 -0.04 -0.51 0.04 0.00 0.00 177.00 174.45 2pph s LEU 40 N 6.73 3.30 0.18 -3.56 1.02 -1.26 -4.04 118.68 121.04 2pph s LEU 40 Ca 0.57 0.01 -0.29 0.00 0.02 0.00 0.00 54.13 54.44 2pph s LEU 40 Cb -0.12 -1.74 -0.08 0.00 0.02 0.00 0.00 46.19 44.27 2pph s LEU 40 CO 0.24 0.34 0.90 -0.62 0.02 0.00 0.00 176.35 177.23 2pph s ASP 41 N -0.64 7.53 -0.25 2.29 -1.08 -0.76 -4.87 116.67 118.90 2pph s ASP 41 Ca 0.10 1.81 -0.19 0.00 -0.52 0.00 0.00 52.55 53.75 2pph s ASP 41 Cb -0.12 -2.57 -0.02 0.00 -1.46 0.00 0.00 42.92 38.75 2pph s ASP 41 CO 0.02 0.11 0.59 -0.76 0.52 0.00 0.00 175.17 175.65 2pph s LEU 42 N -0.83 4.07 -0.27 -1.34 1.02 -1.26 -3.45 118.68 116.62 2pph s LEU 42 Ca 0.41 0.66 -0.07 0.00 0.02 0.00 0.00 54.13 55.15 2pph s LEU 42 Cb -0.24 -2.79 -0.00 0.00 0.02 0.00 0.00 46.19 43.18 2pph s LEU 42 CO 0.30 -0.32 0.06 -2.28 0.02 0.00 0.00 176.35 174.13 2pph s HIS 43 N 2.32 3.11 -0.23 0.29 2.46 -1.16 -1.31 115.29 120.77 2pph s HIS 43 Ca 0.25 -0.84 -0.05 0.00 0.47 0.00 0.00 55.06 54.89 2pph s HIS 43 Cb -0.16 -2.23 -0.01 0.00 -0.13 0.00 0.00 32.58 30.05 2pph s HIS 43 CO 0.09 -0.52 -0.01 -0.47 -2.47 0.00 0.00 174.74 171.36 2pph s TYR 44 N 1.52 2.99 -0.03 3.88 6.14 -0.46 -2.84 117.35 128.56 2pph s TYR 44 Ca 0.04 -0.78 0.03 0.00 0.64 0.00 0.00 57.07 57.00 2pph s TYR 44 Cb -0.16 -2.14 0.00 0.00 0.42 0.00 0.00 41.96 40.08 2pph s TYR 44 CO 0.02 -0.48 -0.11 0.00 0.64 0.00 0.00 175.55 175.62 2pph s MET 45 N 1.48 1.20 -0.06 4.97 0.23 -1.26 -0.51 119.30 125.35 2pph s MET 45 Ca 0.06 -0.39 -0.04 0.00 -1.03 0.00 0.00 55.69 54.29 2pph s MET 45 Cb -0.14 -1.09 -0.02 0.00 -1.53 0.00 0.00 34.83 32.05 2pph s MET 45 CO -0.01 0.15 0.19 -0.91 -2.03 0.00 0.00 175.02 172.40 2pph h ASN 46 N 6.36 -0.11 0.00 -1.18 2.35 -1.86 -3.47 115.58 117.66 2pph h ASN 46 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 2pph h ASN 46 Cb 1.17 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.57 2pph h ASN 46 CO 0.48 0.24 0.00 0.59 -1.65 0.00 0.00 177.43 177.10 2pph n ASN 47 N -4.16 -1.09 -0.08 5.81 3.02 -1.26 -4.98 115.26 112.52 2pph n ASN 47 Ca -0.02 0.30 -0.09 0.00 -0.03 0.00 0.00 54.58 54.74 2pph n ASN 47 Cb 0.05 1.28 -0.12 0.00 -0.61 0.00 0.00 39.78 40.38 2pph n ASN 47 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2pph n GLU 48 N -2.70 1.21 -4.31 3.52 0.28 -1.26 -4.97 120.64 112.40 2pph n GLU 48 Ca 0.00 0.02 -0.35 0.00 -0.16 0.00 0.00 57.16 56.68 2pph n GLU 48 Cb 0.00 -1.40 -0.10 0.00 1.43 0.00 0.00 31.44 31.37 2pph n GLU 48 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2pph s LEU 49 N -5.41 3.60 -0.13 -1.84 1.98 -1.26 -5.11 118.68 110.52 2pph s LEU 49 Ca -0.13 0.11 -0.00 0.00 -2.89 0.00 0.00 54.13 51.23 2pph s LEU 49 Cb 0.05 -1.84 -0.02 0.00 0.66 0.00 0.00 46.19 45.04 2pph s LEU 49 CO 0.60 0.33 -0.13 -0.44 -1.89 0.00 0.00 176.35 174.82 2pph s SER 50 N -0.56 4.05 -0.06 3.68 0.01 -1.26 -2.41 113.70 117.15 2pph s SER 50 Ca 0.10 -0.31 0.04 0.00 1.31 0.00 0.00 55.95 57.09 2pph s SER 50 Cb -0.12 -1.59 -0.00 0.00 0.21 0.00 0.00 66.02 64.52 2pph s SER 50 CO 0.02 0.17 -0.19 -0.63 0.41 0.00 0.00 173.24 173.02 2pph s ILE 51 N 0.30 1.64 -0.08 1.44 1.01 0.34 -5.00 121.20 120.85 2pph s ILE 51 Ca -0.10 -0.81 -0.20 0.00 0.00 0.00 0.00 60.65 59.54 2pph s ILE 51 Cb -0.16 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 2pph s ILE 51 CO 0.05 0.47 0.57 -0.22 0.00 0.00 0.00 174.94 175.81 2pph s LEU 52 N 0.19 4.32 -0.58 2.97 0.20 -1.26 -1.35 118.68 123.17 2pph s LEU 52 Ca -0.09 1.00 -0.23 0.00 0.69 0.00 0.00 54.13 55.50 2pph s LEU 52 Cb -0.14 -2.86 0.05 0.00 -0.43 0.00 0.00 46.19 42.81 2pph s LEU 52 CO 0.04 -0.00 0.92 -0.76 -0.29 0.00 0.00 176.35 176.26 2pph s LEU 53 N 0.46 4.26 -0.13 -0.68 1.43 -0.43 -4.82 118.68 118.77 2pph s LEU 53 Ca 0.30 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2pph s LEU 53 Cb -0.17 -2.66 -0.11 0.00 0.03 0.00 0.00 46.19 43.29 2pph s LEU 53 CO 0.14 -1.27 -0.07 0.29 0.23 0.00 0.00 176.35 175.67 2pph n LYS 54 N 7.44 0.99 -4.51 1.70 5.02 -1.26 -4.31 118.16 123.22 2pph n LYS 54 Ca -0.01 0.05 -0.25 0.00 -2.02 0.00 0.00 58.31 56.09 2pph n LYS 54 Cb 0.47 -1.28 -0.09 0.00 -0.02 0.00 0.00 35.03 34.10 2pph n LYS 54 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2pph s ASN 55 N -5.02 2.76 0.41 4.39 -0.87 -1.26 -5.04 114.94 110.30 2pph s ASN 55 Ca -0.14 -1.54 0.09 0.00 -1.57 0.00 0.00 52.86 49.70 2pph s ASN 55 Cb 0.04 0.24 0.86 0.00 -0.02 0.00 0.00 41.25 42.37 2pph s ASN 55 CO 0.37 -0.78 1.98 -0.61 -2.57 0.00 0.00 177.10 175.49 2pph h GLN 56 N 1.88 0.30 -0.90 -0.60 4.15 -1.98 -2.58 115.11 115.40 2pph h GLN 56 Ca -0.39 -0.05 0.12 0.00 0.77 0.00 0.00 58.65 59.11 2pph h GLN 56 Cb 1.26 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 28.82 2pph h GLN 56 CO 0.64 0.33 0.52 0.22 -1.93 0.00 0.00 178.83 178.62 2pph h ASP 57 N 0.30 0.73 -0.20 -0.69 1.82 -1.98 0.30 116.42 116.70 2pph h ASP 57 Ca 0.07 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.76 2pph h ASP 57 Cb 0.20 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 2pph h ASP 57 CO 0.00 0.38 0.08 0.44 -1.61 0.00 0.00 179.24 178.53 2pph h ASP 58 N 0.82 0.28 -0.62 2.28 5.19 -1.83 -0.89 116.42 121.65 2pph h ASP 58 Ca 0.45 -0.17 -0.09 0.00 -0.62 0.00 0.00 57.03 56.60 2pph h ASP 58 Cb 0.50 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 2pph h ASP 58 CO -0.29 0.37 0.02 0.25 -3.12 0.00 0.00 179.24 176.47 2pph h LEU 59 N 0.16 1.05 -0.62 1.55 6.46 -1.38 -1.67 115.31 120.87 2pph h LEU 59 Ca 0.07 -0.30 -0.02 0.00 -0.12 0.00 0.00 57.88 57.51 2pph h LEU 59 Cb 0.19 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 2pph h LEU 59 CO -0.00 1.09 0.32 -0.78 -0.62 0.00 0.00 178.44 178.44 2pph h ASP 60 N 0.98 0.79 0.07 1.25 3.58 -0.31 -2.40 116.42 120.38 2pph h ASP 60 Ca 0.18 -0.12 -0.09 0.00 0.42 0.00 0.00 57.03 57.42 2pph h ASP 60 Cb 0.55 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2pph h ASP 60 CO 0.03 0.68 -0.30 0.11 -2.88 0.00 0.00 179.24 176.88 2pph h LYS 61 N 0.84 0.35 -0.62 0.28 1.57 -1.01 -2.88 116.57 115.10 2pph h LYS 61 Ca 0.21 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2pph h LYS 61 Cb 0.09 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2pph h LYS 61 CO -0.03 0.62 0.26 0.00 -0.57 0.00 0.00 179.45 179.73 2pph h ALA 62 N 1.38 1.30 -0.39 3.86 0.00 -0.82 -2.21 119.26 122.37 2pph h ALA 62 Ca 0.04 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2pph h ALA 62 Cb 0.69 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2pph h ALA 62 CO 0.05 0.53 0.03 0.82 0.00 0.00 0.00 179.25 180.68 2pph h ILE 63 N 0.88 1.25 -0.49 0.00 2.04 -1.26 -0.39 117.51 119.54 2pph h ILE 63 Ca 0.21 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.14 2pph h ILE 63 Cb 0.15 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 2pph h ILE 63 CO -0.02 0.32 0.30 0.44 0.00 0.00 0.00 178.15 179.19 2pph h ASP 64 N 0.51 0.50 -0.42 1.72 5.19 -1.39 0.47 116.42 123.00 2pph h ASP 64 Ca 0.11 -0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.41 2pph h ASP 64 Cb 0.43 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 2pph h ASP 64 CO 0.01 0.36 -0.19 0.40 -3.12 0.00 0.00 179.24 176.70 2pph h ILE 65 N 0.61 1.28 -0.45 0.35 2.04 -1.31 -2.42 117.51 117.61 2pph h ILE 65 Ca 0.19 -1.33 -0.14 0.00 1.00 0.00 0.00 64.86 64.58 2pph h ILE 65 Cb -0.01 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2pph h ILE 65 CO -0.07 0.45 -0.28 0.25 0.00 0.00 0.00 178.15 178.50 2pph h LEU 66 N 0.69 1.01 -0.69 1.44 5.85 -0.76 -2.85 115.31 119.99 2pph h LEU 66 Ca 0.09 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 2pph h LEU 66 Cb 0.75 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2pph h LEU 66 CO 0.06 1.21 0.33 0.44 -0.34 0.00 0.00 178.44 180.14 2pph h ASP 67 N 0.82 0.91 0.50 1.25 3.32 -0.02 -2.41 116.42 120.79 2pph h ASP 67 Ca 0.09 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 2pph h ASP 67 Cb 0.86 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2pph h ASP 67 CO 0.08 0.79 -0.27 0.08 -1.72 0.00 0.00 179.24 178.20 2pph h ARG 68 N 0.97 0.00 -6.45 3.56 0.11 -1.41 -3.43 114.38 107.73 2pph h ARG 68 Ca 0.24 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.78 2pph h ARG 68 Cb 0.13 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.22 2pph h ARG 68 CO -0.03 0.27 0.77 0.45 0.10 0.00 0.00 179.97 181.53 2pph s SER 69 N -6.52 6.86 0.32 0.08 0.15 -0.91 -4.92 113.70 108.76 2pph s SER 69 Ca -0.02 2.19 0.00 0.00 0.70 0.00 0.00 55.95 58.82 2pph s SER 69 Cb 0.13 -2.57 0.52 0.00 -1.71 0.00 0.00 66.02 62.39 2pph s SER 69 CO 0.66 -0.67 1.96 0.28 1.20 0.00 0.00 173.24 176.66 2pph h SER 70 N 7.39 0.81 0.32 5.45 0.02 -1.84 -3.23 113.55 122.47 2pph h SER 70 Ca -0.40 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 2pph h SER 70 Cb 1.19 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2pph h SER 70 CO 0.88 0.63 -0.15 0.77 -1.14 0.00 0.00 176.83 177.82 2pph h SER 71 N 0.93 -0.36 -6.75 3.07 4.64 -1.91 -3.47 113.55 109.70 2pph h SER 71 Ca 0.24 0.01 -0.48 0.00 -0.47 0.00 0.00 61.79 61.09 2pph h SER 71 Cb -0.02 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2pph h SER 71 CO -0.04 -0.19 -0.97 1.15 -0.87 0.00 0.00 176.83 175.90 2pph n MET 72 N -3.51 -0.98 -3.64 4.77 0.00 -1.22 -4.91 117.12 107.63 2pph n MET 72 Ca -0.05 0.42 -0.38 0.00 0.00 0.00 0.00 57.70 57.68 2pph n MET 72 Cb 0.17 -2.02 -0.08 0.00 0.00 0.00 0.00 33.22 31.29 2pph n MET 72 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2pph s LYS 73 N -5.62 2.83 0.41 3.17 -0.14 -1.26 -5.03 119.74 114.10 2pph s LYS 73 Ca 0.16 -2.60 0.00 0.00 -1.36 0.00 0.00 55.97 52.17 2pph s LYS 73 Cb -0.09 -3.88 0.00 0.00 -1.68 0.00 0.00 37.83 32.18 2pph s LYS 73 CO 0.83 -1.20 0.00 0.43 -0.76 0.00 0.00 175.35 174.65 2pph n SER 74 N 3.44 -7.42 -4.38 2.83 7.64 -1.26 -4.84 113.62 109.63 2pph n SER 74 Ca 0.10 0.87 -0.35 0.00 1.01 0.00 0.00 58.87 60.50 2pph n SER 74 Cb 0.39 -3.99 -0.13 0.00 -1.01 0.00 0.00 64.21 59.47 2pph n SER 74 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2pph s LEU 75 N -6.90 3.06 -0.47 -3.43 1.02 -1.19 -4.98 118.68 105.79 2pph s LEU 75 Ca 0.00 -0.30 -0.19 0.00 0.02 0.00 0.00 54.13 53.67 2pph s LEU 75 Cb 0.00 -1.78 0.04 0.00 0.02 0.00 0.00 46.19 44.48 2pph s LEU 75 CO 0.00 0.03 0.57 -0.13 0.02 0.00 0.00 176.35 176.84 2pph s ARG 76 N 1.20 3.14 -0.05 1.70 3.00 -1.26 -1.66 118.95 125.02 2pph s ARG 76 Ca 0.03 -0.78 0.02 0.00 0.00 0.00 0.00 55.73 55.00 2pph s ARG 76 Cb -0.14 -4.04 0.01 0.00 0.00 0.00 0.00 34.95 30.78 2pph s ARG 76 CO -0.00 -1.08 -0.11 0.42 0.00 0.00 0.00 175.30 174.52 2pph s ILE 77 N 2.50 1.04 -0.22 1.52 1.01 -1.16 -4.30 121.20 121.59 2pph s ILE 77 Ca 0.15 -0.44 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 2pph s ILE 77 Cb -0.18 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 2pph s ILE 77 CO 0.13 0.33 0.11 -0.22 0.00 0.00 0.00 174.94 175.30 2pph s LEU 78 N 0.56 3.96 -0.08 2.97 2.96 -1.13 -2.36 118.68 125.56 2pph s LEU 78 Ca -0.12 0.08 -0.16 0.00 -0.22 0.00 0.00 54.13 53.72 2pph s LEU 78 Cb -0.14 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 2pph s LEU 78 CO 0.03 0.11 0.40 -0.76 -1.32 0.00 0.00 176.35 174.81 2pph s LEU 79 N 0.78 4.35 -0.09 -0.68 1.43 0.14 -2.99 118.68 121.62 2pph s LEU 79 Ca 0.06 0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 53.81 2pph s LEU 79 Cb -0.13 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.56 2pph s LEU 79 CO 0.02 0.17 0.38 -1.48 0.23 0.00 0.00 176.35 175.67 2pph s LEU 80 N -0.15 0.56 0.13 1.79 0.05 -1.22 -4.66 118.68 115.17 2pph s LEU 80 Ca 0.23 0.54 -0.31 0.00 0.05 0.00 0.00 54.13 54.63 2pph s LEU 80 Cb -0.15 1.39 -0.10 0.00 -2.05 0.00 0.00 46.19 45.28 2pph s LEU 80 CO 0.10 -0.27 1.67 -0.44 -0.55 0.00 0.00 176.35 176.86 2pph s SER 81 N -0.41 6.53 -0.30 1.48 0.01 -1.26 -1.82 113.70 117.92 2pph s SER 81 Ca -0.05 2.64 0.18 0.00 1.31 0.00 0.00 55.95 60.03 2pph s SER 81 Cb -0.03 -2.58 0.46 0.00 0.21 0.00 0.00 66.02 64.08 2pph s SER 81 CO 0.02 -0.91 1.31 1.67 0.41 0.00 0.00 173.24 175.75 2pph n GLN 82 N 4.86 1.56 -3.68 12.44 -0.06 -1.26 -4.91 117.38 126.34 2pph n GLN 82 Ca 0.16 -2.46 -0.39 0.00 -2.00 0.00 0.00 57.00 52.31 2pph n GLN 82 Cb 0.39 -0.67 -0.12 0.00 -4.06 0.00 0.00 30.24 25.77 2pph n GLN 82 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 2pph s ASP 83 N -2.58 5.48 -0.20 1.69 -4.77 -1.26 -4.81 116.67 110.22 2pph s ASP 83 Ca 0.19 -0.95 -0.05 0.00 -3.30 0.00 0.00 52.55 48.44 2pph s ASP 83 Cb 0.38 -1.95 0.02 0.00 -1.09 0.00 0.00 42.92 40.28 2pph s ASP 83 CO -0.08 -0.32 0.10 0.54 0.70 0.00 0.00 175.17 176.11 2pph n ARG 84 N 4.91 -3.24 -3.61 2.11 5.12 -1.26 -5.00 116.66 115.69 2pph n ARG 84 Ca -0.13 2.60 -0.37 0.00 -1.93 0.00 0.00 57.85 58.03 2pph n ARG 84 Cb 0.46 -4.38 -0.09 0.00 -1.16 0.00 0.00 32.46 27.30 2pph n ARG 84 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2pph s ASN 85 N -0.92 6.20 0.20 0.55 -0.87 -1.26 -4.91 114.94 113.93 2pph s ASN 85 Ca -0.12 0.22 0.00 0.00 -1.57 0.00 0.00 52.86 51.39 2pph s ASN 85 Cb 0.01 -2.13 0.00 0.00 -0.02 0.00 0.00 41.25 39.11 2pph s ASN 85 CO 0.63 0.06 0.00 0.18 -2.57 0.00 0.00 177.10 175.40 2pph n LEU 86 N 4.19 0.11 -4.04 0.60 4.77 -1.26 -5.15 117.00 116.21 2pph n LEU 86 Ca -0.14 0.33 -0.10 0.00 -0.03 0.00 0.00 56.01 56.08 2pph n LEU 86 Cb 0.52 0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.73 2pph n LEU 86 CO 0.36 -0.70 0.02 -1.61 -1.33 0.00 0.00 177.39 174.13 2pph s GLU 87 N -2.00 1.36 -0.09 3.23 0.41 -1.26 -5.14 118.70 115.21 2pph s GLU 87 Ca 0.00 -1.33 -0.30 0.00 -0.41 0.00 0.00 54.97 52.93 2pph s GLU 87 Cb 0.00 0.40 -0.02 0.00 -1.78 0.00 0.00 34.13 32.73 2pph s GLU 87 CO 0.00 -0.52 1.06 -1.01 -0.49 0.00 0.00 175.26 174.30 2pph s HIS 88 N -4.04 3.42 0.84 1.61 3.76 -1.26 -5.04 115.29 114.58 2pph s HIS 88 Ca 0.25 1.49 -0.11 0.00 -0.15 0.00 0.00 55.06 56.54 2pph s HIS 88 Cb 0.02 -3.25 0.14 0.00 1.11 0.00 0.00 32.58 30.60 2pph s HIS 88 CO 0.08 -0.53 1.18 -1.01 -0.85 0.00 0.00 174.74 173.61 2pph s HIS 89 N 2.06 2.11 -0.35 1.40 3.76 -1.26 -5.08 115.29 117.93 2pph s HIS 89 Ca 0.50 0.33 -0.00 0.00 -0.15 0.00 0.00 55.06 55.74 2pph s HIS 89 Cb -0.20 -3.65 0.12 0.00 1.11 0.00 0.00 32.58 29.96 2pph s HIS 89 CO 0.19 -2.10 0.18 -1.58 -0.85 0.00 0.00 174.74 170.58 2pph s HIS 90 N -3.59 1.22 -0.15 1.40 2.46 -1.26 -5.09 115.29 110.28 2pph s HIS 90 Ca 0.68 -1.73 -0.01 0.00 0.47 0.00 0.00 55.06 54.46 2pph s HIS 90 Cb -0.07 -1.36 0.04 0.00 -0.13 0.00 0.00 32.58 31.06 2pph s HIS 90 CO 0.49 -0.83 -0.03 -1.58 -2.47 0.00 0.00 174.74 170.32 2pph s HIS 91 N 1.19 1.44 0.58 3.88 5.04 -1.26 -5.14 115.29 121.01 2pph s HIS 91 Ca 0.14 -0.89 0.07 0.00 -1.54 0.00 0.00 55.06 52.85 2pph s HIS 91 Cb -0.21 -1.19 0.07 0.00 0.04 0.00 0.00 32.58 31.29 2pph s HIS 91 CO -0.12 -0.57 0.60 -1.58 -2.34 0.00 0.00 174.74 170.74 2pph s HIS 92 N 1.72 1.36 -2.00 3.88 2.46 -1.26 -5.35 115.29 116.10 2pph s HIS 92 Ca 0.01 -0.83 0.23 0.00 0.47 0.00 0.00 55.06 54.95 2pph s HIS 92 Cb -0.15 -2.03 1.40 0.00 -0.13 0.00 0.00 32.58 31.67 2pph s HIS 92 CO -0.07 -0.87 1.77 -2.39 -2.47 0.00 0.00 174.74 170.70