#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pph n SER 2 N 0.00 -5.30 -2.72 2.61 7.64 -1.26 -4.91 113.62 109.67 2pph n SER 2 Ca 0.00 -0.07 -0.07 0.00 1.01 0.00 0.00 58.87 59.74 2pph n SER 2 Cb 0.00 -3.47 0.06 0.00 -1.01 0.00 0.00 64.21 59.78 2pph n SER 2 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2pph n ASP 3 N -1.53 -2.33 -4.76 6.43 5.75 -1.25 -3.82 116.55 115.05 2pph n ASP 3 Ca -0.00 -2.71 -0.39 0.00 -0.01 0.00 0.00 54.79 51.67 2pph n ASP 3 Cb 0.51 1.41 -0.05 0.00 -1.03 0.00 0.00 41.12 41.96 2pph n ASP 3 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2pph s VAL 4 N 0.50 4.71 -0.48 2.12 1.01 0.23 -4.84 120.40 123.64 2pph s VAL 4 Ca 0.30 1.54 -0.18 0.00 0.00 0.00 0.00 61.98 63.64 2pph s VAL 4 Cb 0.21 -4.07 0.06 0.00 0.00 0.00 0.00 36.38 32.58 2pph s VAL 4 CO -0.18 0.41 0.55 -0.60 0.00 0.00 0.00 175.10 175.28 2pph s ARG 5 N -0.33 3.09 -0.22 2.72 3.52 -1.26 -1.35 118.95 125.12 2pph s ARG 5 Ca 0.36 -0.97 -0.10 0.00 -0.13 0.00 0.00 55.73 54.90 2pph s ARG 5 Cb -0.20 -4.08 -0.05 0.00 -1.56 0.00 0.00 34.95 29.05 2pph s ARG 5 CO 0.22 -1.12 0.13 0.42 -0.81 0.00 0.00 175.30 174.14 2pph s ILE 6 N 2.34 5.19 -0.33 4.11 1.01 -1.03 -3.49 121.20 129.01 2pph s ILE 6 Ca 0.12 0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.76 2pph s ILE 6 Cb -0.20 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 2pph s ILE 6 CO 0.11 0.38 0.28 -0.54 0.00 0.00 0.00 174.94 175.17 2pph s LYS 7 N 0.86 3.62 0.10 2.79 1.02 -1.16 -3.08 119.74 123.89 2pph s LYS 7 Ca 0.07 -0.48 -0.10 0.00 0.02 0.00 0.00 55.97 55.48 2pph s LYS 7 Cb -0.13 -3.77 -0.06 0.00 -0.52 0.00 0.00 37.83 33.35 2pph s LYS 7 CO 0.03 -0.42 0.43 -0.06 -0.92 0.00 0.00 175.35 174.41 2pph s PHE 8 N 1.84 3.57 -0.05 3.18 0.40 -0.84 -3.67 117.98 122.41 2pph s PHE 8 Ca 0.09 0.83 0.03 0.00 -0.60 0.00 0.00 56.93 57.27 2pph s PHE 8 Cb -0.17 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.17 2pph s PHE 8 CO 0.11 0.48 -0.15 -2.00 0.70 0.00 0.00 175.22 174.37 2pph s GLU 9 N -2.01 1.76 -0.18 0.44 2.56 -1.09 -0.94 118.70 119.24 2pph s GLU 9 Ca 0.35 -0.52 -0.04 0.00 0.00 0.00 0.00 54.97 54.76 2pph s GLU 9 Cb -0.14 -1.48 0.08 0.00 2.00 0.00 0.00 34.13 34.60 2pph s GLU 9 CO 0.19 0.14 0.24 -1.58 -0.56 0.00 0.00 175.26 173.69 2pph s HIS 10 N 0.34 -0.37 -1.56 5.30 5.65 -0.70 -0.96 115.29 122.99 2pph s HIS 10 Ca -0.09 0.54 -0.04 0.00 0.25 0.00 0.00 55.06 55.72 2pph s HIS 10 Cb -0.13 -0.22 0.01 0.00 -1.18 0.00 0.00 32.58 31.06 2pph s HIS 10 CO 0.03 -0.51 0.43 0.09 -0.65 0.00 0.00 174.74 174.12 2pph n ASN 11 N 5.33 -5.72 0.00 9.88 3.02 -1.26 -0.91 115.26 125.60 2pph n ASN 11 Ca -0.05 -0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 2pph n ASN 11 Cb 0.50 -4.67 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 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 -1.34 2.23 3.82 7.41 0.00 -1.26 -5.04 105.19 111.01 2pph n GLY 12 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.45 3.78 0.03 1.61 2.02 -0.09 -5.07 118.70 120.53 2pph s GLU 13 Ca 0.00 1.16 0.06 0.00 0.02 0.00 0.00 54.97 56.22 2pph s GLU 13 Cb 0.00 -2.10 -0.03 0.00 0.10 0.00 0.00 34.13 32.09 2pph s GLU 13 CO 0.00 -0.42 -0.17 0.50 0.02 0.00 0.00 175.26 175.19 2pph s ARG 14 N -3.70 2.15 0.02 1.61 3.52 -1.26 -1.72 118.95 119.57 2pph s ARG 14 Ca 0.63 -0.94 0.02 0.00 -0.13 0.00 0.00 55.73 55.31 2pph s ARG 14 Cb -0.13 -2.23 -0.01 0.00 -1.56 0.00 0.00 34.95 31.01 2pph s ARG 14 CO 0.27 0.55 -0.07 0.50 -0.81 0.00 0.00 175.30 175.74 2pph s ARG 15 N -1.39 0.52 -0.20 5.12 3.52 -0.12 -4.99 118.95 121.42 2pph s ARG 15 Ca 0.15 -0.49 -0.02 0.00 -0.13 0.00 0.00 55.73 55.24 2pph s ARG 15 Cb -0.11 -0.41 0.00 0.00 -1.56 0.00 0.00 34.95 32.88 2pph s ARG 15 CO 0.05 0.10 -0.11 0.42 -0.81 0.00 0.00 175.30 174.95 2pph s ILE 16 N -0.74 2.79 -0.05 4.11 1.01 -1.26 -1.99 121.20 125.07 2pph s ILE 16 Ca -0.03 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 2pph s ILE 16 Cb -0.06 -2.23 0.04 0.00 0.01 0.00 0.00 42.46 40.21 2pph s ILE 16 CO 0.00 0.48 0.09 -0.63 0.00 0.00 0.00 174.94 174.88 2pph s ILE 17 N 1.37 -0.10 -0.04 2.92 1.01 -1.18 -5.06 121.20 120.13 2pph s ILE 17 Ca 0.05 0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.79 2pph s ILE 17 Cb -0.14 -0.18 -0.05 0.00 0.01 0.00 0.00 42.46 42.10 2pph s ILE 17 CO -0.07 0.11 0.49 0.00 0.00 0.00 0.00 174.94 175.46 2pph s ALA 18 N 1.50 3.56 -0.08 9.38 0.00 -1.26 -2.46 121.76 132.40 2pph s ALA 18 Ca -0.05 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 51.80 2pph s ALA 18 Cb -0.12 -2.58 0.01 0.00 0.00 0.00 0.00 23.12 20.43 2pph s ALA 18 CO -0.04 0.23 -0.14 -0.06 0.00 0.00 0.00 175.76 175.75 2pph s PHE 19 N -0.27 1.70 -0.19 0.00 0.08 -0.45 -4.99 117.98 113.85 2pph s PHE 19 Ca 0.26 -0.69 -0.23 0.00 0.12 0.00 0.00 56.93 56.39 2pph s PHE 19 Cb -0.17 -1.23 -0.02 0.00 -0.57 0.00 0.00 43.02 41.03 2pph s PHE 19 CO 0.13 -0.35 0.72 -1.54 -0.10 0.00 0.00 175.22 174.08 2pph s SER 20 N 0.76 6.79 0.70 1.36 1.04 -1.26 -0.60 113.70 122.49 2pph s SER 20 Ca -0.12 0.97 -0.15 0.00 0.48 0.00 0.00 55.95 57.12 2pph s SER 20 Cb -0.16 -2.39 0.02 0.00 0.10 0.00 0.00 66.02 63.59 2pph s SER 20 CO 0.02 -0.34 1.18 -0.13 0.98 0.00 0.00 173.24 174.95 2pph s ARG 21 N 2.10 2.40 -0.03 4.02 0.52 -1.25 -4.15 118.95 122.57 2pph s ARG 21 Ca 0.33 1.65 -0.30 0.00 -0.52 0.00 0.00 55.73 56.89 2pph s ARG 21 Cb -0.16 -1.88 -0.03 0.00 0.52 0.00 0.00 34.95 33.40 2pph s ARG 21 CO 0.11 -1.61 1.10 -1.25 0.02 0.00 0.00 175.30 173.67 2pph s PRO 22 N -3.92 4.43 -0.18 3.54 0.04 -1.26 -4.82 135.00 132.83 2pph s PRO 22 Ca 0.72 1.56 -0.25 0.00 0.04 0.00 0.00 61.00 63.07 2pph s PRO 22 Cb -0.26 -3.49 -0.01 0.00 0.04 0.00 0.00 34.50 30.77 2pph s PRO 22 CO 0.43 -0.28 0.84 0.54 0.04 0.00 0.00 177.00 178.57 2pph s VAL 23 N 1.65 4.86 -0.05 -0.36 0.11 -1.26 -5.05 120.40 120.31 2pph s VAL 23 Ca 0.54 1.64 -0.07 0.00 -2.93 0.00 0.00 61.98 61.16 2pph s VAL 23 Cb -0.23 -4.14 -0.04 0.00 -1.53 0.00 0.00 36.38 30.43 2pph s VAL 23 CO 0.24 -0.00 0.22 -0.54 -3.33 0.00 0.00 175.10 171.68 2pph s LYS 24 N 2.32 3.53 0.21 1.54 3.01 -1.26 -5.01 119.74 124.08 2pph s LYS 24 Ca 0.38 -0.10 -0.10 0.00 -1.01 0.00 0.00 55.97 55.14 2pph s LYS 24 Cb -0.16 -3.14 0.15 0.00 -1.01 0.00 0.00 37.83 33.67 2pph s LYS 24 CO 0.11 0.71 1.87 -0.92 0.51 0.00 0.00 175.35 177.63 2pph h TYR 25 N 4.40 0.96 -0.86 3.18 3.20 -1.96 -1.12 116.97 124.78 2pph h TYR 25 Ca -0.52 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.35 2pph h TYR 25 Cb 1.21 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 2pph h TYR 25 CO 0.71 0.62 0.47 0.93 -1.64 0.00 0.00 178.16 179.25 2pph h GLU 26 N 1.02 1.19 -0.26 1.82 5.08 -1.96 -0.40 114.58 121.07 2pph h GLU 26 Ca 0.27 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 2pph h GLU 26 Cb -0.08 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 2pph h GLU 26 CO -0.06 0.87 -0.16 0.22 -1.00 0.00 0.00 179.01 178.89 2pph h ASP 27 N 1.20 0.59 -0.17 1.42 3.58 -1.86 -1.27 116.42 119.91 2pph h ASP 27 Ca 0.30 -0.43 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 2pph h ASP 27 Cb 0.03 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 2pph h ASP 27 CO -0.05 0.89 0.09 0.58 -2.88 0.00 0.00 179.24 177.87 2pph h VAL 28 N 0.29 1.12 -0.37 2.25 2.07 -0.96 -2.71 116.25 117.94 2pph h VAL 28 Ca 0.05 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 2pph h VAL 28 Cb 0.68 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2pph h VAL 28 CO 0.04 0.12 0.03 1.05 0.02 0.00 0.00 177.57 178.83 2pph h GLU 29 N 0.16 0.57 -0.24 1.57 4.11 -1.09 -2.65 114.58 117.00 2pph h GLU 29 Ca 0.06 -0.12 0.02 0.00 0.07 0.00 0.00 59.36 59.40 2pph h GLU 29 Cb 0.11 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2pph h GLU 29 CO -0.01 0.57 0.09 1.25 0.07 0.00 0.00 179.01 180.98 2pph h HIS 30 N 0.55 0.16 -0.74 2.06 2.76 -0.93 0.18 115.15 119.18 2pph h HIS 30 Ca 0.12 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.25 2pph h HIS 30 Cb 0.31 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 2pph h HIS 30 CO 0.01 0.08 0.28 -0.22 -1.30 0.00 0.00 177.93 176.78 2pph h LYS 31 N 0.20 1.12 -0.40 5.26 3.64 -1.31 -1.25 116.57 123.83 2pph h LYS 31 Ca 0.10 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 2pph h LYS 31 Cb 0.06 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2pph h LYS 31 CO -0.10 0.93 0.08 0.28 -2.27 0.00 0.00 179.45 178.37 2pph h VAL 32 N 1.08 1.24 -0.60 2.00 2.07 -1.10 0.29 116.25 121.23 2pph h VAL 32 Ca 0.24 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 2pph h VAL 32 Cb 0.24 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2pph h VAL 32 CO -0.02 0.29 0.06 0.74 0.02 0.00 0.00 177.57 178.67 2pph h THR 33 N 0.52 1.26 -0.07 2.57 2.02 -0.49 -2.08 112.91 116.63 2pph h THR 33 Ca 0.12 -1.04 -0.05 0.00 0.77 0.00 0.00 66.41 66.22 2pph h THR 33 Cb 0.35 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2pph h THR 33 CO 0.01 0.38 -0.15 0.74 0.37 0.00 0.00 175.52 176.86 2pph h THR 34 N 0.93 1.41 -0.12 3.16 2.02 -1.09 0.45 112.91 119.67 2pph h THR 34 Ca 0.18 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.90 2pph h THR 34 Cb 0.45 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 2pph h THR 34 CO 0.02 0.41 0.08 1.62 0.37 0.00 0.00 175.52 178.02 2pph h VAL 35 N -0.25 1.03 0.00 3.16 3.04 -0.92 -2.84 116.25 119.47 2pph h VAL 35 Ca 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 2pph h VAL 35 Cb 0.74 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 2pph h VAL 35 CO 0.03 0.03 -0.36 -0.26 -1.01 0.00 0.00 177.57 176.00 2pph h PHE 36 N 0.16 0.00 -1.15 3.17 0.04 -1.47 -3.48 116.94 114.21 2pph h PHE 36 Ca 0.05 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.64 2pph h PHE 36 Cb -0.02 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 2pph h PHE 36 CO -0.07 0.00 -0.22 0.41 -0.60 0.00 0.00 178.31 177.83 2pph n GLY 37 N 1.20 0.16 3.48 -1.45 0.00 0.15 -5.01 105.19 103.72 2pph n GLY 37 Ca 0.03 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 2pph n GLY 37 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pph s GLN 38 N -4.19 1.05 -0.47 1.61 -2.07 -0.56 -5.00 119.66 110.04 2pph s GLN 38 Ca 0.00 -0.18 -0.28 0.00 -1.82 0.00 0.00 55.36 53.08 2pph s GLN 38 Cb 0.00 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.41 2pph s GLN 38 CO 0.00 -0.42 1.56 -1.25 -1.32 0.00 0.00 175.29 173.87 2pph s PRO 39 N -2.66 3.30 -0.19 9.60 0.04 -1.26 -4.18 135.00 139.65 2pph s PRO 39 Ca -0.02 0.86 -0.05 0.00 0.04 0.00 0.00 61.00 61.84 2pph s PRO 39 Cb -0.01 -4.15 -0.03 0.00 0.04 0.00 0.00 34.50 30.36 2pph s PRO 39 CO -0.05 -1.91 -0.01 -0.51 0.04 0.00 0.00 177.00 174.57 2pph s LEU 40 N 6.47 3.26 0.16 -3.56 1.02 -1.26 -3.78 118.68 120.98 2pph s LEU 40 Ca 0.64 -0.17 -0.30 0.00 0.02 0.00 0.00 54.13 54.31 2pph s LEU 40 Cb -0.15 -1.81 -0.07 0.00 0.02 0.00 0.00 46.19 44.18 2pph s LEU 40 CO 0.29 0.10 1.07 -0.62 0.02 0.00 0.00 176.35 177.21 2pph s ASP 41 N 0.78 7.31 -0.83 2.29 -1.08 0.74 -4.84 116.67 121.04 2pph s ASP 41 Ca -0.00 2.03 -0.24 0.00 -0.52 0.00 0.00 52.55 53.82 2pph s ASP 41 Cb -0.14 -2.60 0.06 0.00 -1.46 0.00 0.00 42.92 38.78 2pph s ASP 41 CO 0.02 -0.19 1.24 -0.76 0.52 0.00 0.00 175.17 175.99 2pph s LEU 42 N -0.25 3.81 -0.29 -1.34 1.43 -1.26 -3.41 118.68 117.37 2pph s LEU 42 Ca 0.49 -1.10 -0.22 0.00 -1.03 0.00 0.00 54.13 52.27 2pph s LEU 42 Cb -0.28 -2.51 -0.00 0.00 0.03 0.00 0.00 46.19 43.43 2pph s LEU 42 CO 0.34 -1.54 0.74 -1.00 0.23 0.00 0.00 176.35 175.11 2pph s HIS 43 N 4.70 3.23 -0.26 0.29 3.76 -0.62 -1.65 115.29 124.74 2pph s HIS 43 Ca 0.35 0.81 -0.07 0.00 -0.15 0.00 0.00 55.06 56.01 2pph s HIS 43 Cb -0.07 -3.10 -0.02 0.00 1.11 0.00 0.00 32.58 30.51 2pph s HIS 43 CO 0.03 -0.49 0.06 -0.47 -0.85 0.00 0.00 174.74 173.02 2pph s TYR 44 N 2.81 3.08 -0.10 1.40 6.14 0.80 0.32 117.35 131.80 2pph s TYR 44 Ca 0.30 -0.64 0.03 0.00 0.64 0.00 0.00 57.07 57.40 2pph s TYR 44 Cb -0.15 -2.23 -0.01 0.00 0.42 0.00 0.00 41.96 40.00 2pph s TYR 44 CO 0.11 -0.44 -0.20 -1.64 0.64 0.00 0.00 175.55 174.02 2pph s MET 45 N 1.57 3.04 -0.17 4.97 -1.94 -1.26 -0.32 119.30 125.18 2pph s MET 45 Ca 0.05 -0.81 -0.22 0.00 -1.71 0.00 0.00 55.69 53.01 2pph s MET 45 Cb -0.15 -2.39 -0.22 0.00 2.01 0.00 0.00 34.83 34.07 2pph s MET 45 CO 0.02 0.26 0.40 -0.97 -0.01 0.00 0.00 175.02 174.72 2pph h ASN 46 N 6.49 0.07 0.00 3.03 -0.73 -1.92 -3.47 115.58 119.06 2pph h ASN 46 Ca -0.25 -0.68 0.00 0.00 1.87 0.00 0.00 56.30 57.23 2pph h ASN 46 Cb 1.21 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.78 2pph h ASN 46 CO 0.50 1.41 0.00 -3.20 -0.37 0.00 0.00 177.43 175.77 2pph n ASN 47 N -4.37 -1.13 -0.03 1.15 4.05 -1.26 -4.98 115.26 108.70 2pph n ASN 47 Ca -0.26 0.48 -0.00 0.00 0.45 0.00 0.00 54.58 55.25 2pph n ASN 47 Cb 0.68 1.33 -0.07 0.00 1.23 0.00 0.00 39.78 42.95 2pph n ASN 47 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 2pph n GLU 48 N -2.82 1.49 -3.87 1.20 -0.00 -1.26 -4.99 120.64 110.40 2pph n GLU 48 Ca 0.00 -0.04 -0.35 0.00 -0.00 0.00 0.00 57.16 56.76 2pph n GLU 48 Cb 0.00 -1.23 -0.08 0.00 -0.00 0.00 0.00 31.44 30.13 2pph n GLU 48 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2pph s LEU 49 N -4.18 4.10 -0.20 -1.84 1.98 -1.26 -5.09 118.68 112.19 2pph s LEU 49 Ca -0.04 0.23 -0.12 0.00 -2.89 0.00 0.00 54.13 51.30 2pph s LEU 49 Cb 0.04 -2.04 -0.05 0.00 0.66 0.00 0.00 46.19 44.81 2pph s LEU 49 CO 0.38 0.23 0.24 -0.44 -1.89 0.00 0.00 176.35 174.86 2pph s SER 50 N 0.06 6.29 -0.10 3.68 0.01 -1.26 -3.08 113.70 119.29 2pph s SER 50 Ca 0.08 0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.70 2pph s SER 50 Cb -0.12 -2.15 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 2pph s SER 50 CO -0.00 0.07 -0.21 -0.63 0.41 0.00 0.00 173.24 172.88 2pph s ILE 51 N 0.79 2.38 -0.26 1.44 1.01 0.57 -5.02 121.20 122.09 2pph s ILE 51 Ca 0.12 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 2pph s ILE 51 Cb -0.13 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 2pph s ILE 51 CO 0.03 0.55 0.15 -0.22 0.00 0.00 0.00 174.94 175.46 2pph s LEU 52 N 0.19 3.93 -0.71 2.97 0.20 -1.26 -0.14 118.68 123.85 2pph s LEU 52 Ca -0.12 -0.01 -0.27 0.00 0.69 0.00 0.00 54.13 54.41 2pph s LEU 52 Cb -0.16 -2.07 0.03 0.00 -0.43 0.00 0.00 46.19 43.55 2pph s LEU 52 CO 0.07 -0.01 1.32 -0.76 -0.29 0.00 0.00 176.35 176.68 2pph s LEU 53 N 1.49 3.20 -0.16 -0.68 1.43 -0.66 -4.81 118.68 118.49 2pph s LEU 53 Ca 0.07 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 52.91 2pph s LEU 53 Cb -0.15 -2.62 -0.23 0.00 0.03 0.00 0.00 46.19 43.22 2pph s LEU 53 CO 0.08 -1.85 0.19 0.29 0.23 0.00 0.00 176.35 175.29 2pph n LYS 54 N 9.27 0.68 -4.24 1.70 4.76 -1.26 -4.43 118.16 124.64 2pph n LYS 54 Ca 0.05 0.17 -0.18 0.00 -2.87 0.00 0.00 58.31 55.48 2pph n LYS 54 Cb 0.49 -1.63 -0.07 0.00 -1.84 0.00 0.00 35.03 31.98 2pph n LYS 54 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2pph s ASN 55 N -6.26 1.43 0.40 4.39 0.02 -1.26 -5.04 114.94 108.62 2pph s ASN 55 Ca -0.18 -1.68 0.09 0.00 -1.02 0.00 0.00 52.86 50.06 2pph s ASN 55 Cb 0.07 0.57 0.84 0.00 0.02 0.00 0.00 41.25 42.75 2pph s ASN 55 CO 0.75 -1.10 1.98 1.56 0.02 0.00 0.00 177.10 180.32 2pph h GLN 56 N 2.16 0.35 -0.46 -0.60 1.08 -1.98 -2.78 115.11 112.88 2pph h GLN 56 Ca -0.26 -0.05 0.08 0.00 -1.45 0.00 0.00 58.65 56.96 2pph h GLN 56 Cb 1.23 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 28.54 2pph h GLN 56 CO 0.38 0.35 0.09 -0.44 -0.95 0.00 0.00 178.83 178.26 2pph h ASP 57 N 0.34 0.00 -0.25 1.46 5.19 -1.98 0.58 116.42 121.77 2pph h ASP 57 Ca 0.08 0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.54 2pph h ASP 57 Cb 0.18 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 2pph h ASP 57 CO 0.00 0.03 0.03 0.44 -3.12 0.00 0.00 179.24 176.62 2pph h ASP 58 N 0.22 0.41 -0.63 6.45 3.32 -1.88 -0.76 116.42 123.55 2pph h ASP 58 Ca 0.23 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 2pph h ASP 58 Cb 0.29 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2pph h ASP 58 CO -0.30 0.59 0.29 0.25 -1.72 0.00 0.00 179.24 178.34 2pph h LEU 59 N 0.22 0.84 -0.81 1.55 5.85 -1.26 -2.41 115.31 119.29 2pph h LEU 59 Ca 0.07 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 2pph h LEU 59 Cb 0.36 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2pph h LEU 59 CO 0.01 0.76 -0.20 -0.78 -0.34 0.00 0.00 178.44 177.88 2pph h ASP 60 N 0.88 0.67 -0.49 1.25 3.58 0.23 -2.81 116.42 119.73 2pph h ASP 60 Ca 0.21 -0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 2pph h ASP 60 Cb 0.15 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 2pph h ASP 60 CO -0.02 0.87 0.18 0.50 -2.88 0.00 0.00 179.24 177.89 2pph h LYS 61 N 0.59 0.79 -0.44 0.28 3.11 -0.82 -2.31 116.57 117.77 2pph h LYS 61 Ca 0.09 -0.13 -0.07 0.00 -2.81 0.00 0.00 60.65 57.73 2pph h LYS 61 Cb 0.67 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.75 2pph h LYS 61 CO 0.05 0.67 -0.03 0.00 -2.81 0.00 0.00 179.45 177.34 2pph h ALA 62 N 1.43 1.14 -0.28 5.00 0.00 -1.18 -2.95 119.26 122.42 2pph h ALA 62 Ca 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2pph h ALA 62 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2pph h ALA 62 CO -0.01 0.55 0.07 0.82 0.00 0.00 0.00 179.25 180.68 2pph h ILE 63 N 0.67 1.21 -0.99 0.00 1.08 -1.27 -2.07 117.51 116.15 2pph h ILE 63 Ca 0.13 -0.71 0.11 0.00 -0.39 0.00 0.00 64.86 64.01 2pph h ILE 63 Cb 0.46 1.14 -0.08 0.00 -3.07 0.00 0.00 36.82 35.27 2pph h ILE 63 CO 0.02 0.23 0.62 -0.78 -0.69 0.00 0.00 178.15 177.55 2pph h ASP 64 N 0.29 0.91 -0.21 1.72 3.58 -1.33 0.48 116.42 121.86 2pph h ASP 64 Ca 0.09 0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.53 2pph h ASP 64 Cb 0.29 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2pph h ASP 64 CO 0.00 0.49 -0.10 0.40 -2.88 0.00 0.00 179.24 177.15 2pph h ILE 65 N 0.99 1.31 -0.44 2.25 2.04 -1.35 -2.50 117.51 119.81 2pph h ILE 65 Ca 0.49 -1.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.10 2pph h ILE 65 Cb 0.46 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 2pph h ILE 65 CO -0.26 0.35 -0.03 0.25 0.00 0.00 0.00 178.15 178.46 2pph h LEU 66 N 0.14 0.78 -0.77 1.44 5.85 -0.65 -2.15 115.31 119.95 2pph h LEU 66 Ca 0.05 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.49 2pph h LEU 66 Cb 0.59 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 2pph h LEU 66 CO 0.03 0.92 0.48 0.44 -0.34 0.00 0.00 178.44 179.97 2pph h ASP 67 N 0.63 0.76 0.46 1.25 3.32 -0.07 -1.56 116.42 121.20 2pph h ASP 67 Ca 0.12 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 2pph h ASP 67 Cb 0.54 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2pph h ASP 67 CO 0.03 0.51 -0.49 0.03 -1.72 0.00 0.00 179.24 177.60 2pph h ARG 68 N 0.90 0.04 -7.01 3.56 3.08 -1.35 -3.45 114.38 110.15 2pph h ARG 68 Ca 0.32 -0.02 -0.51 0.00 0.07 0.00 0.00 59.98 59.84 2pph h ARG 68 Cb 0.09 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.21 2pph h ARG 68 CO -0.14 0.52 0.49 0.45 -1.07 0.00 0.00 179.97 180.21 2pph s SER 69 N -6.89 6.08 0.46 7.04 0.15 -0.59 -4.94 113.70 115.01 2pph s SER 69 Ca -0.02 2.32 0.26 0.00 0.70 0.00 0.00 55.95 59.21 2pph s SER 69 Cb 0.13 -2.60 0.72 0.00 -1.71 0.00 0.00 66.02 62.56 2pph s SER 69 CO 0.75 -0.98 1.74 0.28 1.20 0.00 0.00 173.24 176.23 2pph h SER 70 N 1.94 0.00 -0.72 5.45 0.02 -1.86 -3.23 113.55 115.15 2pph h SER 70 Ca -0.49 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 59.98 2pph h SER 70 Cb 1.25 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.58 2pph h SER 70 CO 0.60 0.07 0.61 -1.54 -1.14 0.00 0.00 176.83 175.43 2pph n SER 71 N -3.14 6.60 -4.66 3.07 3.41 -1.26 -4.95 113.62 112.69 2pph n SER 71 Ca 0.02 -3.37 -0.43 0.00 -0.26 0.00 0.00 58.87 54.83 2pph n SER 71 Cb 0.46 -0.99 -0.02 0.00 -0.26 0.00 0.00 64.21 63.41 2pph n SER 71 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2pph s MET 72 N -2.71 4.27 0.07 4.33 0.00 -1.22 -4.77 119.30 119.27 2pph s MET 72 Ca 0.46 1.40 0.00 0.00 0.00 0.00 0.00 55.69 57.55 2pph s MET 72 Cb 0.37 -3.64 0.00 0.00 0.00 0.00 0.00 34.83 31.55 2pph s MET 72 CO 0.00 -0.60 0.00 1.63 0.00 0.00 0.00 175.02 176.05 2pph n LYS 73 N 6.20 0.00 -4.58 4.11 4.76 -1.26 -5.10 118.16 122.29 2pph n LYS 73 Ca 0.12 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.29 2pph n LYS 73 Cb 0.46 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.55 2pph n LYS 73 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2pph s SER 74 N -2.63 3.26 -0.19 4.39 0.01 -1.26 -4.54 113.70 112.74 2pph s SER 74 Ca 0.00 -1.49 -0.04 0.00 1.31 0.00 0.00 55.95 55.73 2pph s SER 74 Cb 0.00 0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.26 2pph s SER 74 CO 0.00 -0.67 -0.02 -0.76 0.41 0.00 0.00 173.24 172.20 2pph s LEU 75 N -3.66 3.20 -0.51 2.44 1.02 -1.23 -4.97 118.68 114.97 2pph s LEU 75 Ca 0.27 -0.21 -0.24 0.00 0.02 0.00 0.00 54.13 53.97 2pph s LEU 75 Cb 0.07 -1.80 0.04 0.00 0.02 0.00 0.00 46.19 44.52 2pph s LEU 75 CO 0.13 0.09 0.90 -0.60 0.02 0.00 0.00 176.35 176.89 2pph s ARG 76 N 0.86 3.38 -0.05 1.70 3.52 -1.26 -2.98 118.95 124.11 2pph s ARG 76 Ca 0.00 -0.17 0.02 0.00 -0.13 0.00 0.00 55.73 55.45 2pph s ARG 76 Cb -0.14 -4.01 0.01 0.00 -1.56 0.00 0.00 34.95 29.25 2pph s ARG 76 CO 0.02 -1.36 -0.11 0.42 -0.81 0.00 0.00 175.30 173.45 2pph s ILE 77 N 3.75 1.04 -0.21 4.11 1.01 -1.24 -4.09 121.20 125.57 2pph s ILE 77 Ca 0.31 -0.45 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 2pph s ILE 77 Cb -0.12 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 2pph s ILE 77 CO 0.21 0.33 0.11 -0.76 0.00 0.00 0.00 174.94 174.82 2pph s LEU 78 N 0.51 3.96 -0.27 2.97 1.43 0.15 -2.67 118.68 124.76 2pph s LEU 78 Ca -0.11 0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 52.92 2pph s LEU 78 Cb -0.14 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 2pph s LEU 78 CO 0.02 0.13 0.46 -0.76 0.23 0.00 0.00 176.35 176.43 2pph s LEU 79 N 0.68 4.06 -0.03 1.79 1.43 -0.14 -1.59 118.68 124.89 2pph s LEU 79 Ca 0.06 0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 53.48 2pph s LEU 79 Cb -0.13 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.54 2pph s LEU 79 CO 0.01 -0.26 0.16 -0.76 0.23 0.00 0.00 176.35 175.74 2pph s LEU 80 N 2.22 1.42 -0.74 1.79 1.02 -1.22 -4.66 118.68 118.51 2pph s LEU 80 Ca 0.19 0.09 -0.27 0.00 0.02 0.00 0.00 54.13 54.15 2pph s LEU 80 Cb -0.16 0.66 0.03 0.00 0.02 0.00 0.00 46.19 46.74 2pph s LEU 80 CO 0.10 -0.22 1.27 -0.44 0.02 0.00 0.00 176.35 177.08 2pph s SER 81 N -0.63 6.16 -0.48 2.29 0.01 -1.26 -0.19 113.70 119.60 2pph s SER 81 Ca -0.07 -0.47 0.03 0.00 1.31 0.00 0.00 55.95 56.75 2pph s SER 81 Cb -0.04 -2.56 0.53 0.00 0.21 0.00 0.00 66.02 64.16 2pph s SER 81 CO 0.01 -1.83 1.77 1.67 0.41 0.00 0.00 173.24 175.27 2pph n GLN 82 N 9.33 2.50 -3.74 12.44 -0.06 -1.25 -4.83 117.38 131.77 2pph n GLN 82 Ca 0.03 -3.31 -0.30 0.00 -2.00 0.00 0.00 57.00 51.42 2pph n GLN 82 Cb 0.49 -2.16 -0.14 0.00 -4.06 0.00 0.00 30.24 24.37 2pph n GLN 82 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2pph s ASP 83 N -2.06 3.85 0.00 1.69 2.15 -1.26 -4.90 116.67 116.14 2pph s ASP 83 Ca 0.57 -2.24 0.00 0.00 0.43 0.00 0.00 52.55 51.30 2pph s ASP 83 Cb 0.47 -1.00 0.00 0.00 -0.30 0.00 0.00 42.92 42.08 2pph s ASP 83 CO 0.03 -0.33 0.00 -2.11 -0.17 0.00 0.00 175.17 172.60 2pph n ARG 84 N 4.06 0.37 -1.07 4.34 1.85 -1.26 -4.77 116.66 120.18 2pph n ARG 84 Ca 0.05 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.67 2pph n ARG 84 Cb 0.38 -0.83 0.11 0.00 -1.05 0.00 0.00 32.46 31.07 2pph n ARG 84 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2pph n ASN 85 N -2.06 5.09 -3.62 2.89 2.85 -1.26 -4.89 115.26 114.26 2pph n ASN 85 Ca 0.00 -3.40 -0.06 0.00 -0.11 0.00 0.00 54.58 51.01 2pph n ASN 85 Cb 0.33 -0.87 -0.05 0.00 1.24 0.00 0.00 39.78 40.42 2pph n ASN 85 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2pph s LEU 86 N -2.86 -0.20 -0.24 1.20 2.96 -1.26 -5.07 118.68 113.21 2pph s LEU 86 Ca 0.49 0.28 0.12 0.00 -0.22 0.00 0.00 54.13 54.79 2pph s LEU 86 Cb 0.40 1.44 0.33 0.00 0.50 0.00 0.00 46.19 48.85 2pph s LEU 86 CO 0.05 -0.14 1.36 -0.62 -1.32 0.00 0.00 176.35 175.68 2pph n GLU 87 N 1.02 1.04 -3.47 1.98 -0.58 -1.26 -4.91 120.64 114.45 2pph n GLU 87 Ca -0.07 -1.45 -0.11 0.00 -0.42 0.00 0.00 57.16 55.11 2pph n GLU 87 Cb 0.58 0.20 -0.02 0.00 -0.57 0.00 0.00 31.44 31.63 2pph n GLU 87 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2pph s HIS 88 N -0.34 -0.47 -1.18 -0.32 2.46 -1.26 -4.98 115.29 109.20 2pph s HIS 88 Ca 0.10 0.26 -0.02 0.00 0.47 0.00 0.00 55.06 55.87 2pph s HIS 88 Cb 0.33 0.57 0.00 0.00 -0.13 0.00 0.00 32.58 33.35 2pph s HIS 88 CO -0.09 -0.81 1.00 1.58 -2.47 0.00 0.00 174.74 173.95 2pph n HIS 89 N -0.36 -2.26 -0.97 3.88 -0.00 -1.26 -5.00 115.22 109.24 2pph n HIS 89 Ca -0.14 0.91 -0.22 0.00 0.46 0.00 0.00 57.72 58.73 2pph n HIS 89 Cb 0.64 -4.90 0.18 0.00 -0.12 0.00 0.00 29.99 25.79 2pph n HIS 89 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2pph n HIS 90 N -4.22 -3.69 -1.26 1.57 8.25 -1.26 -4.86 115.22 109.75 2pph n HIS 90 Ca -0.20 -0.74 -0.37 0.00 -0.26 0.00 0.00 57.72 56.16 2pph n HIS 90 Cb 0.63 -0.83 -0.02 0.00 1.12 0.00 0.00 29.99 30.88 2pph n HIS 90 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2pph n HIS 91 N -4.17 2.36 -2.79 4.41 8.25 -1.26 -4.63 115.22 117.39 2pph n HIS 91 Ca 0.11 -2.86 -0.02 0.00 -0.26 0.00 0.00 57.72 54.69 2pph n HIS 91 Cb 0.43 -2.34 0.00 0.00 1.12 0.00 0.00 29.99 29.20 2pph n HIS 91 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2pph n HIS 92 N 4.10 -3.64 1.79 4.41 8.25 -1.26 -5.04 115.22 123.83 2pph n HIS 92 Ca 0.69 1.58 0.15 0.00 -0.26 0.00 0.00 57.72 59.88 2pph n HIS 92 Cb 0.24 -3.81 0.77 0.00 1.12 0.00 0.00 29.99 28.31 2pph n HIS 92 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59