#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 -4.99 -4.57 1.08 7.64 -1.26 -4.17 113.62 107.35 2pph n SER 2 Ca 0.00 -0.07 -0.43 0.00 1.01 0.00 0.00 58.87 59.38 2pph n SER 2 Cb 0.00 -4.02 -0.03 0.00 -1.01 0.00 0.00 64.21 59.15 2pph n SER 2 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2pph s ASP 3 N -2.39 6.47 0.15 6.43 1.11 -1.26 -1.65 116.67 125.53 2pph s ASP 3 Ca 0.07 0.08 -0.30 0.00 0.18 0.00 0.00 52.55 52.57 2pph s ASP 3 Cb -0.03 -2.51 -0.07 0.00 1.07 0.00 0.00 42.92 41.38 2pph s ASP 3 CO 0.08 -1.30 1.01 -0.69 1.18 0.00 0.00 175.17 175.45 2pph s VAL 4 N 4.41 4.19 -0.51 -1.27 1.01 -0.44 -4.70 120.40 123.08 2pph s VAL 4 Ca 0.40 1.89 -0.24 0.00 0.00 0.00 0.00 61.98 64.03 2pph s VAL 4 Cb -0.09 -4.21 0.04 0.00 0.00 0.00 0.00 36.38 32.12 2pph s VAL 4 CO 0.26 0.33 0.89 -0.60 0.00 0.00 0.00 175.10 175.97 2pph s ARG 5 N -0.31 3.37 -0.23 2.72 6.06 -1.26 -1.98 118.95 127.32 2pph s ARG 5 Ca 0.47 -0.20 -0.05 0.00 -2.50 0.00 0.00 55.73 53.45 2pph s ARG 5 Cb -0.26 -4.01 -0.02 0.00 0.06 0.00 0.00 34.95 30.72 2pph s ARG 5 CO 0.32 -1.36 -0.01 0.42 -2.50 0.00 0.00 175.30 172.17 2pph s ILE 6 N 3.72 3.69 -0.28 4.11 1.01 -1.03 -3.29 121.20 129.13 2pph s ILE 6 Ca 0.31 -0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.46 2pph s ILE 6 Cb -0.12 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 2pph s ILE 6 CO 0.21 0.40 0.18 -0.75 0.00 0.00 0.00 174.94 174.98 2pph s LYS 7 N 1.45 3.82 -0.22 2.79 2.20 -1.17 -2.74 119.74 125.87 2pph s LYS 7 Ca 0.05 -0.40 -0.10 0.00 -0.36 0.00 0.00 55.97 55.16 2pph s LYS 7 Cb -0.14 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.50 2pph s LYS 7 CO -0.01 -0.23 0.13 -0.06 -0.36 0.00 0.00 175.35 174.83 2pph s PHE 8 N 1.73 3.33 -0.10 4.03 0.08 -0.62 -3.67 117.98 122.76 2pph s PHE 8 Ca 0.07 0.22 0.04 0.00 0.12 0.00 0.00 56.93 57.37 2pph s PHE 8 Cb -0.16 -2.20 -0.01 0.00 -0.57 0.00 0.00 43.02 40.08 2pph s PHE 8 CO 0.10 0.14 -0.22 -2.00 -0.10 0.00 0.00 175.22 173.13 2pph s GLU 9 N 0.75 3.01 -0.06 0.44 2.12 -1.17 -0.61 118.70 123.17 2pph s GLU 9 Ca 0.07 -0.85 -0.03 0.00 0.36 0.00 0.00 54.97 54.53 2pph s GLU 9 Cb -0.13 -2.34 0.04 0.00 0.26 0.00 0.00 34.13 31.97 2pph s GLU 9 CO 0.02 0.23 0.11 -1.58 -0.54 0.00 0.00 175.26 173.50 2pph s HIS 10 N 0.22 -0.06 -1.46 5.30 2.46 0.99 -2.05 115.29 120.70 2pph s HIS 10 Ca -0.14 0.43 -0.06 0.00 0.47 0.00 0.00 55.06 55.76 2pph s HIS 10 Cb -0.17 -0.36 0.03 0.00 -0.13 0.00 0.00 32.58 31.96 2pph s HIS 10 CO 0.07 -0.23 0.54 0.09 -2.47 0.00 0.00 174.74 172.74 2pph n ASN 11 N 5.24 -5.26 0.00 9.88 4.13 -1.26 -0.79 115.26 127.20 2pph n ASN 11 Ca -0.05 -0.30 0.00 0.00 1.68 0.00 0.00 54.58 55.91 2pph n ASN 11 Cb 0.50 -4.28 0.00 0.00 -1.54 0.00 0.00 39.78 34.46 2pph n ASN 11 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pph n GLY 12 N -1.38 2.30 3.60 7.41 0.00 -1.26 -5.01 105.19 110.85 2pph n GLY 12 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.46 3.88 -0.00 1.61 2.02 0.03 -5.05 118.70 120.73 2pph s GLU 13 Ca 0.00 0.34 0.03 0.00 0.02 0.00 0.00 54.97 55.35 2pph s GLU 13 Cb 0.00 -3.74 -0.03 0.00 0.10 0.00 0.00 34.13 30.46 2pph s GLU 13 CO 0.00 -0.62 -0.05 -0.98 0.02 0.00 0.00 175.26 173.63 2pph s ARG 14 N 2.72 2.62 -0.01 1.61 3.03 -1.26 -0.01 118.95 127.65 2pph s ARG 14 Ca 0.27 -0.69 0.02 0.00 2.03 0.00 0.00 55.73 57.36 2pph s ARG 14 Cb -0.15 -2.55 -0.00 0.00 -1.03 0.00 0.00 34.95 31.22 2pph s ARG 14 CO 0.12 0.61 -0.08 1.03 -1.13 0.00 0.00 175.30 175.86 2pph s ARG 15 N -1.43 0.65 -0.29 3.89 0.52 0.22 -4.98 118.95 117.54 2pph s ARG 15 Ca 0.17 -0.27 -0.10 0.00 -0.52 0.00 0.00 55.73 55.01 2pph s ARG 15 Cb -0.11 -0.63 -0.03 0.00 0.52 0.00 0.00 34.95 34.70 2pph s ARG 15 CO 0.08 0.15 0.16 0.42 0.02 0.00 0.00 175.30 176.13 2pph s ILE 16 N -0.12 4.94 -0.03 1.52 1.09 -1.26 -1.58 121.20 125.75 2pph s ILE 16 Ca 0.02 -0.07 0.01 0.00 -1.10 0.00 0.00 60.65 59.51 2pph s ILE 16 Cb -0.04 -3.40 0.03 0.00 -1.06 0.00 0.00 42.46 37.99 2pph s ILE 16 CO -0.00 0.20 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.40 2pph s ILE 17 N 1.69 0.25 0.11 2.92 1.09 -1.11 -5.05 121.20 121.11 2pph s ILE 17 Ca 0.06 0.04 -0.16 0.00 -1.10 0.00 0.00 60.65 59.49 2pph s ILE 17 Cb -0.16 -0.33 -0.07 0.00 -1.06 0.00 0.00 42.46 40.84 2pph s ILE 17 CO 0.08 0.16 0.54 0.00 -0.10 0.00 0.00 174.94 175.62 2pph s ALA 18 N 0.97 3.60 -0.11 9.38 0.00 -1.26 -2.45 121.76 131.89 2pph s ALA 18 Ca -0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.75 2pph s ALA 18 Cb -0.14 -2.54 0.03 0.00 0.00 0.00 0.00 23.12 20.47 2pph s ALA 18 CO -0.01 0.44 -0.01 -0.06 0.00 0.00 0.00 175.76 176.12 2pph s PHE 19 N -1.31 0.94 0.17 0.00 0.08 -0.84 -4.96 117.98 112.06 2pph s PHE 19 Ca 0.33 -0.44 -0.31 0.00 0.12 0.00 0.00 56.93 56.63 2pph s PHE 19 Cb -0.17 -0.95 -0.10 0.00 -0.57 0.00 0.00 43.02 41.23 2pph s PHE 19 CO 0.18 -0.43 1.55 0.45 -0.10 0.00 0.00 175.22 176.87 2pph s SER 20 N 1.88 6.60 0.70 1.36 0.15 -1.26 -1.33 113.70 121.80 2pph s SER 20 Ca 0.04 2.61 -0.11 0.00 0.70 0.00 0.00 55.95 59.19 2pph s SER 20 Cb -0.13 -2.60 0.01 0.00 -1.71 0.00 0.00 66.02 61.59 2pph s SER 20 CO -0.06 -0.81 1.06 -0.13 1.20 0.00 0.00 173.24 174.50 2pph s ARG 21 N 1.00 2.87 0.07 5.44 0.52 -0.66 -4.21 118.95 123.98 2pph s ARG 21 Ca 0.69 0.98 -0.31 0.00 -0.52 0.00 0.00 55.73 56.57 2pph s ARG 21 Cb -0.43 -1.98 -0.06 0.00 0.52 0.00 0.00 34.95 33.00 2pph s ARG 21 CO 0.32 -1.16 1.21 -1.25 0.02 0.00 0.00 175.30 174.45 2pph s PRO 22 N -5.03 4.43 -0.01 3.54 0.04 -1.26 -4.98 135.00 131.73 2pph s PRO 22 Ca 0.58 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 63.11 2pph s PRO 22 Cb -0.14 -3.34 -0.05 0.00 0.04 0.00 0.00 34.50 31.01 2pph s PRO 22 CO 0.55 -0.26 1.36 0.54 0.04 0.00 0.00 177.00 179.23 2pph s VAL 23 N 1.02 3.82 -0.13 -0.36 0.11 -1.26 -5.02 120.40 118.59 2pph s VAL 23 Ca 0.59 1.19 -0.06 0.00 -2.93 0.00 0.00 61.98 60.77 2pph s VAL 23 Cb -0.30 -3.76 -0.04 0.00 -1.53 0.00 0.00 36.38 30.75 2pph s VAL 23 CO 0.29 -0.00 0.10 -0.54 -3.33 0.00 0.00 175.10 171.62 2pph s LYS 24 N 2.36 3.45 0.20 1.54 3.01 -1.26 -5.01 119.74 124.04 2pph s LYS 24 Ca 0.62 -0.23 -0.10 0.00 -1.01 0.00 0.00 55.97 55.25 2pph s LYS 24 Cb -0.30 -3.11 0.23 0.00 -1.01 0.00 0.00 37.83 33.63 2pph s LYS 24 CO 0.26 0.66 1.78 -0.92 0.51 0.00 0.00 175.35 177.64 2pph h TYR 25 N 5.37 0.53 -0.71 3.18 5.03 -1.97 -0.73 116.97 127.67 2pph h TYR 25 Ca -0.51 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 60.76 2pph h TYR 25 Cb 1.21 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 39.31 2pph h TYR 25 CO 0.69 0.22 0.19 1.49 -1.32 0.00 0.00 178.16 179.44 2pph h GLU 26 N 0.54 1.13 -0.45 1.82 4.22 -1.98 -0.49 114.58 119.36 2pph h GLU 26 Ca 0.28 -0.26 -0.02 0.00 0.08 0.00 0.00 59.36 59.44 2pph h GLU 26 Cb 0.24 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2pph h GLU 26 CO -0.22 0.98 0.19 -0.44 -2.18 0.00 0.00 179.01 177.34 2pph h ASP 27 N 1.07 0.62 -0.08 1.04 5.19 -1.75 0.41 116.42 122.92 2pph h ASP 27 Ca 0.23 -0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.45 2pph h ASP 27 Cb 0.34 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.69 2pph h ASP 27 CO -0.00 0.61 -0.03 0.58 -3.12 0.00 0.00 179.24 177.28 2pph h VAL 28 N 0.59 1.31 -0.68 -1.35 2.07 -1.00 -2.77 116.25 114.42 2pph h VAL 28 Ca 0.15 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 2pph h VAL 28 Cb 0.18 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 2pph h VAL 28 CO -0.01 0.28 0.17 -0.33 0.02 0.00 0.00 177.57 177.69 2pph h GLU 29 N -0.20 1.07 -0.96 1.57 4.39 -1.03 -2.38 114.58 117.04 2pph h GLU 29 Ca 0.02 -0.25 0.05 0.00 0.34 0.00 0.00 59.36 59.52 2pph h GLU 29 Cb 0.46 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.90 2pph h GLU 29 CO 0.01 0.95 0.63 1.25 -1.16 0.00 0.00 179.01 180.68 2pph h HIS 30 N 1.02 1.15 -0.11 4.33 2.76 -0.16 0.69 115.15 124.84 2pph h HIS 30 Ca 0.21 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.38 2pph h HIS 30 Cb 0.36 -0.38 -0.00 0.00 1.55 0.00 0.00 27.41 28.93 2pph h HIS 30 CO 0.03 0.63 -0.08 -0.22 -1.30 0.00 0.00 177.93 176.99 2pph h LYS 31 N 1.16 0.24 -0.31 5.26 1.63 -1.19 -2.12 116.57 121.24 2pph h LYS 31 Ca 0.40 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 59.99 2pph h LYS 31 Cb 0.10 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 2pph h LYS 31 CO -0.14 0.63 -0.14 0.28 -3.45 0.00 0.00 179.45 176.63 2pph h VAL 32 N -0.14 1.29 -0.85 2.00 2.07 -1.06 -2.09 116.25 117.46 2pph h VAL 32 Ca 0.02 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2pph h VAL 32 Cb 0.58 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 2pph h VAL 32 CO 0.02 0.40 0.54 0.74 0.02 0.00 0.00 177.57 179.29 2pph h THR 33 N 0.41 1.23 -0.17 2.57 2.02 0.33 -1.02 112.91 118.27 2pph h THR 33 Ca 0.07 -0.45 -0.12 0.00 0.77 0.00 0.00 66.41 66.68 2pph h THR 33 Cb 0.66 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2pph h THR 33 CO 0.04 0.23 -0.35 0.74 0.37 0.00 0.00 175.52 176.55 2pph h THR 34 N 1.17 1.34 0.07 3.16 2.02 -1.31 0.69 112.91 120.05 2pph h THR 34 Ca 0.31 -1.60 -0.00 0.00 0.77 0.00 0.00 66.41 65.89 2pph h THR 34 Cb -0.10 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2pph h THR 34 CO -0.06 0.49 -0.03 0.58 0.37 0.00 0.00 175.52 176.86 2pph h VAL 35 N 0.20 1.04 0.00 3.16 2.07 -1.13 -3.11 116.25 118.47 2pph h VAL 35 Ca 0.01 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2pph h VAL 35 Cb 0.95 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2pph h VAL 35 CO 0.08 0.09 -0.33 -0.26 0.02 0.00 0.00 177.57 177.18 2pph h PHE 36 N -0.26 0.00 -0.65 1.57 0.04 -1.28 -3.48 116.94 112.87 2pph h PHE 36 Ca -0.01 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.53 2pph h PHE 36 Cb 0.23 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.29 2pph h PHE 36 CO -0.02 0.00 -0.22 0.41 -0.60 0.00 0.00 178.31 177.88 2pph n GLY 37 N 1.18 1.11 3.24 -1.45 0.00 0.24 -5.00 105.19 104.51 2pph n GLY 37 Ca 0.03 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 2pph n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pph s GLN 38 N -3.13 0.72 -0.82 1.61 -0.21 -1.03 -4.99 119.66 111.80 2pph s GLN 38 Ca 0.00 -0.30 -0.25 0.00 0.02 0.00 0.00 55.36 54.83 2pph s GLN 38 Cb 0.00 0.31 0.01 0.00 1.00 0.00 0.00 33.01 34.33 2pph s GLN 38 CO 0.00 -0.21 1.61 -1.25 -2.12 0.00 0.00 175.29 173.32 2pph s PRO 39 N -1.74 3.02 0.09 2.91 0.04 -1.26 -4.37 135.00 133.69 2pph s PRO 39 Ca -0.11 -0.30 -0.10 0.00 0.04 0.00 0.00 61.00 60.53 2pph s PRO 39 Cb -0.04 -4.75 -0.06 0.00 0.04 0.00 0.00 34.50 29.69 2pph s PRO 39 CO 0.02 -2.58 0.43 -0.51 0.04 0.00 0.00 177.00 174.39 2pph s LEU 40 N 7.29 4.34 -0.11 -3.56 1.02 -1.26 -2.27 118.68 124.14 2pph s LEU 40 Ca 0.53 0.83 -0.18 0.00 0.02 0.00 0.00 54.13 55.34 2pph s LEU 40 Cb -0.07 -3.05 -0.04 0.00 0.02 0.00 0.00 46.19 43.05 2pph s LEU 40 CO 0.06 0.15 0.47 -0.62 0.02 0.00 0.00 176.35 176.43 2pph s ASP 41 N -1.78 6.70 -0.58 2.29 2.15 0.13 -4.81 116.67 120.76 2pph s ASP 41 Ca 0.34 0.83 -0.22 0.00 0.43 0.00 0.00 52.55 53.94 2pph s ASP 41 Cb -0.14 -2.28 0.06 0.00 -0.30 0.00 0.00 42.92 40.26 2pph s ASP 41 CO 0.18 0.03 0.83 -0.76 -0.17 0.00 0.00 175.17 175.29 2pph s LEU 42 N 0.46 4.61 -0.27 -1.34 1.02 -1.26 -2.46 118.68 119.45 2pph s LEU 42 Ca 0.26 -0.86 -0.16 0.00 0.02 0.00 0.00 54.13 53.39 2pph s LEU 42 Cb -0.15 -2.52 -0.03 0.00 0.02 0.00 0.00 46.19 43.50 2pph s LEU 42 CO 0.11 -1.19 0.41 -1.00 0.02 0.00 0.00 176.35 174.70 2pph s HIS 43 N 3.45 3.25 -0.27 0.29 3.76 0.14 -2.22 115.29 123.69 2pph s HIS 43 Ca 0.21 0.48 -0.12 0.00 -0.15 0.00 0.00 55.06 55.48 2pph s HIS 43 Cb -0.17 -2.61 -0.05 0.00 1.11 0.00 0.00 32.58 30.86 2pph s HIS 43 CO 0.13 -0.24 0.23 -0.47 -0.85 0.00 0.00 174.74 173.53 2pph s TYR 44 N 2.13 3.24 -0.12 1.40 6.14 0.13 -0.02 117.35 130.25 2pph s TYR 44 Ca 0.17 0.19 0.02 0.00 0.64 0.00 0.00 57.07 58.09 2pph s TYR 44 Cb -0.16 -2.41 -0.01 0.00 0.42 0.00 0.00 41.96 39.81 2pph s TYR 44 CO 0.10 -0.15 -0.18 -1.64 0.64 0.00 0.00 175.55 174.31 2pph s MET 45 N 1.75 3.22 -0.21 4.97 -1.94 -1.23 0.05 119.30 125.90 2pph s MET 45 Ca 0.09 -0.78 -0.20 0.00 -1.71 0.00 0.00 55.69 53.08 2pph s MET 45 Cb -0.16 -2.48 -0.18 0.00 2.01 0.00 0.00 34.83 34.03 2pph s MET 45 CO 0.10 0.18 0.15 -1.71 -0.01 0.00 0.00 175.02 173.74 2pph n ASN 46 N 3.56 1.86 0.06 3.03 2.85 -1.12 -4.82 115.26 120.69 2pph n ASN 46 Ca -0.19 0.43 0.00 0.00 -0.11 0.00 0.00 54.58 54.71 2pph n ASN 46 Cb 0.53 -0.95 0.00 0.00 1.24 0.00 0.00 39.78 40.60 2pph n ASN 46 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2pph n ASN 47 N -4.43 -1.15 -0.04 1.20 5.15 -1.26 -4.98 115.26 109.75 2pph n ASN 47 Ca -0.32 0.44 -0.02 0.00 -0.60 0.00 0.00 54.58 54.08 2pph n ASN 47 Cb 0.67 1.32 -0.09 0.00 -0.53 0.00 0.00 39.78 41.15 2pph n ASN 47 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2pph n GLU 48 N -2.73 1.60 -4.24 1.20 1.02 -1.26 -4.99 120.64 111.23 2pph n GLU 48 Ca 0.00 -0.04 -0.35 0.00 -0.02 0.00 0.00 57.16 56.75 2pph n GLU 48 Cb 0.00 -1.28 -0.09 0.00 -0.02 0.00 0.00 31.44 30.05 2pph n GLU 48 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2pph s LEU 49 N -4.48 3.76 -0.15 -4.62 0.20 -1.26 -5.11 118.68 107.02 2pph s LEU 49 Ca -0.05 0.20 -0.03 0.00 0.69 0.00 0.00 54.13 54.94 2pph s LEU 49 Cb 0.05 -1.88 -0.02 0.00 -0.43 0.00 0.00 46.19 43.90 2pph s LEU 49 CO 0.46 0.36 -0.06 -0.55 -0.29 0.00 0.00 176.35 176.28 2pph s SER 50 N -0.79 4.60 -0.07 3.68 0.15 -1.26 -2.78 113.70 117.23 2pph s SER 50 Ca 0.12 -0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.65 2pph s SER 50 Cb -0.12 -1.74 -0.01 0.00 -1.71 0.00 0.00 66.02 62.44 2pph s SER 50 CO 0.03 0.16 -0.25 -0.63 1.20 0.00 0.00 173.24 173.75 2pph s ILE 51 N 0.39 2.05 -0.15 6.45 1.01 0.11 -5.01 121.20 126.05 2pph s ILE 51 Ca -0.05 -1.06 -0.09 0.00 0.00 0.00 0.00 60.65 59.45 2pph s ILE 51 Cb -0.15 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 2pph s ILE 51 CO 0.03 0.57 0.16 -0.22 0.00 0.00 0.00 174.94 175.49 2pph s LEU 52 N -0.05 4.31 -1.05 2.97 0.20 -1.26 0.22 118.68 124.02 2pph s LEU 52 Ca -0.07 0.40 -0.23 0.00 0.69 0.00 0.00 54.13 54.92 2pph s LEU 52 Cb -0.15 -2.13 -0.01 0.00 -0.43 0.00 0.00 46.19 43.47 2pph s LEU 52 CO 0.05 0.29 1.79 -0.76 -0.29 0.00 0.00 176.35 177.42 2pph s LEU 53 N -0.34 3.32 0.05 -0.68 1.43 -0.94 -4.74 118.68 116.78 2pph s LEU 53 Ca 0.13 -1.34 -0.08 0.00 -1.03 0.00 0.00 54.13 51.81 2pph s LEU 53 Cb -0.12 -2.57 -0.31 0.00 0.03 0.00 0.00 46.19 43.22 2pph s LEU 53 CO 0.02 -2.28 1.06 0.50 0.23 0.00 0.00 176.35 175.88 2pph h LYS 54 N 10.04 0.35 -3.72 1.70 1.63 -1.95 -3.45 116.57 121.17 2pph h LYS 54 Ca 0.20 -0.61 -0.18 0.00 -0.85 0.00 0.00 60.65 59.21 2pph h LYS 54 Cb 0.97 0.23 -0.05 0.00 -0.60 0.00 0.00 32.23 32.78 2pph h LYS 54 CO 1.31 1.28 -0.02 1.21 -3.45 0.00 0.00 179.45 179.77 2pph s ASN 55 N -7.27 0.60 0.44 4.20 2.47 -1.26 -5.04 114.94 109.08 2pph s ASN 55 Ca -0.06 -1.36 0.12 0.00 0.42 0.00 0.00 52.86 51.98 2pph s ASN 55 Cb 0.06 0.73 1.02 0.00 -1.45 0.00 0.00 41.25 41.62 2pph s ASN 55 CO 0.90 -1.44 2.04 1.56 -3.72 0.00 0.00 177.10 176.44 2pph h GLN 56 N 2.07 0.36 -0.75 0.43 4.20 -2.00 -1.93 115.11 117.50 2pph h GLN 56 Ca -0.29 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.49 2pph h GLN 56 Cb 1.24 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.87 2pph h GLN 56 CO 0.39 0.24 0.39 -0.44 -0.67 0.00 0.00 178.83 178.74 2pph h ASP 57 N 0.38 0.52 -0.52 1.46 5.19 -1.99 0.19 116.42 121.66 2pph h ASP 57 Ca 0.18 0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 56.54 2pph h ASP 57 Cb 0.24 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.70 2pph h ASP 57 CO -0.04 0.29 -0.12 0.44 -3.12 0.00 0.00 179.24 176.69 2pph h ASP 58 N 0.65 1.00 -0.39 6.45 5.19 -1.73 -2.02 116.42 125.58 2pph h ASP 58 Ca 0.37 -0.36 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 2pph h ASP 58 Cb 0.39 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 2pph h ASP 58 CO -0.27 1.13 0.10 0.25 -3.12 0.00 0.00 179.24 177.33 2pph h LEU 59 N 0.87 0.59 -0.92 1.55 5.85 -1.11 -2.31 115.31 119.83 2pph h LEU 59 Ca 0.13 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 2pph h LEU 59 Cb 0.68 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2pph h LEU 59 CO 0.05 0.66 0.25 0.44 -0.34 0.00 0.00 178.44 179.50 2pph h ASP 60 N 0.49 0.96 -0.66 1.25 3.32 -0.60 -2.22 116.42 118.96 2pph h ASP 60 Ca 0.12 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 2pph h ASP 60 Cb 0.30 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2pph h ASP 60 CO 0.00 0.87 0.28 0.11 -1.72 0.00 0.00 179.24 178.78 2pph h LYS 61 N 1.01 0.98 -0.38 3.56 1.57 -1.20 -0.60 116.57 121.51 2pph h LYS 61 Ca 0.23 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2pph h LYS 61 Cb 0.24 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2pph h LYS 61 CO -0.01 0.81 0.17 0.00 -0.57 0.00 0.00 179.45 179.84 2pph h ALA 62 N 1.12 0.50 -0.35 3.86 0.00 -1.09 -1.82 119.26 121.48 2pph h ALA 62 Ca 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2pph h ALA 62 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2pph h ALA 62 CO -0.02 0.08 0.06 0.82 0.00 0.00 0.00 179.25 180.19 2pph h ILE 63 N 0.48 1.23 -0.51 0.00 1.08 -1.22 -0.11 117.51 118.46 2pph h ILE 63 Ca 0.13 -0.82 0.04 0.00 -0.39 0.00 0.00 64.86 63.82 2pph h ILE 63 Cb 0.15 1.09 -0.04 0.00 -3.07 0.00 0.00 36.82 34.96 2pph h ILE 63 CO -0.01 0.27 0.28 0.44 -0.69 0.00 0.00 178.15 178.44 2pph h ASP 64 N 0.42 0.41 -0.18 1.72 5.19 -0.99 0.49 116.42 123.48 2pph h ASP 64 Ca 0.11 0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.46 2pph h ASP 64 Cb 0.34 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.79 2pph h ASP 64 CO 0.01 0.29 -0.20 0.40 -3.12 0.00 0.00 179.24 176.61 2pph h ILE 65 N 0.54 1.34 -0.28 0.35 2.04 -1.25 -2.53 117.51 117.72 2pph h ILE 65 Ca 0.22 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 2pph h ILE 65 Cb 0.10 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2pph h ILE 65 CO -0.14 0.42 0.10 0.25 0.00 0.00 0.00 178.15 178.78 2pph h LEU 66 N 0.11 0.40 -0.94 1.44 5.85 -0.76 -1.45 115.31 119.96 2pph h LEU 66 Ca 0.03 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2pph h LEU 66 Cb 0.75 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 2pph h LEU 66 CO 0.05 0.48 0.61 0.44 -0.34 0.00 0.00 178.44 179.68 2pph h ASP 67 N 0.29 1.02 0.09 1.25 5.19 -0.07 -1.84 116.42 122.35 2pph h ASP 67 Ca 0.09 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.39 2pph h ASP 67 Cb 0.22 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 2pph h ASP 67 CO -0.00 0.70 -0.35 -0.09 -3.12 0.00 0.00 179.24 176.38 2pph h ARG 68 N 1.19 0.36 -6.26 3.56 2.43 -1.27 -3.41 114.38 110.98 2pph h ARG 68 Ca 0.37 -0.16 -0.58 0.00 -0.81 0.00 0.00 59.98 58.80 2pph h ARG 68 Cb -0.01 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.45 2pph h ARG 68 CO -0.12 0.67 0.72 0.45 -1.51 0.00 0.00 179.97 180.18 2pph s SER 69 N -6.85 6.73 0.24 -3.80 0.15 -0.56 -4.91 113.70 104.69 2pph s SER 69 Ca -0.06 0.66 0.11 0.00 0.70 0.00 0.00 55.95 57.36 2pph s SER 69 Cb 0.13 -2.50 0.20 0.00 -1.71 0.00 0.00 66.02 62.14 2pph s SER 69 CO 0.78 -0.94 1.51 0.28 1.20 0.00 0.00 173.24 176.07 2pph h SER 70 N 8.54 0.00 -0.74 5.45 0.02 -1.80 -3.20 113.55 121.82 2pph h SER 70 Ca -0.22 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.84 2pph h SER 70 Cb 1.07 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.56 2pph h SER 70 CO 1.02 0.70 0.49 0.28 -1.14 0.00 0.00 176.83 178.18 2pph h SER 71 N 0.00 0.51 -2.78 3.07 0.02 -1.92 -3.41 113.55 109.04 2pph h SER 71 Ca -0.01 0.02 -0.59 0.00 -0.84 0.00 0.00 61.79 60.37 2pph h SER 71 Cb 1.30 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.66 2pph h SER 71 CO 0.09 0.29 -0.61 -0.04 -1.14 0.00 0.00 176.83 175.42 2pph s MET 72 N -5.53 2.63 0.05 3.45 1.00 -1.21 -5.03 119.30 114.67 2pph s MET 72 Ca -0.09 -1.00 0.00 0.00 0.00 0.00 0.00 55.69 54.60 2pph s MET 72 Cb 0.20 -2.49 0.00 0.00 0.00 0.00 0.00 34.83 32.55 2pph s MET 72 CO 0.77 0.47 0.00 1.63 0.00 0.00 0.00 175.02 177.89 2pph n LYS 73 N -0.24 0.00 -1.83 2.03 4.76 -1.26 -4.85 118.16 116.77 2pph n LYS 73 Ca -0.09 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.06 2pph n LYS 73 Cb 0.55 -0.13 0.10 0.00 -1.84 0.00 0.00 35.03 33.71 2pph n LYS 73 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2pph s SER 74 N -5.06 4.35 -0.21 4.39 1.04 -1.26 -4.82 113.70 112.13 2pph s SER 74 Ca 0.00 0.83 -0.04 0.00 0.48 0.00 0.00 55.95 57.23 2pph s SER 74 Cb 0.00 -1.35 -0.01 0.00 0.10 0.00 0.00 66.02 64.75 2pph s SER 74 CO 0.00 -2.01 -0.04 -0.22 0.98 0.00 0.00 173.24 171.95 2pph s LEU 75 N -5.66 2.93 -0.48 2.42 0.20 -1.21 -5.00 118.68 111.88 2pph s LEU 75 Ca 0.62 -0.36 -0.22 0.00 0.69 0.00 0.00 54.13 54.86 2pph s LEU 75 Cb -0.12 -1.74 0.03 0.00 -0.43 0.00 0.00 46.19 43.94 2pph s LEU 75 CO 0.50 0.01 0.77 -0.60 -0.29 0.00 0.00 176.35 176.74 2pph s ARG 76 N 1.30 3.32 -0.05 1.98 3.52 -1.26 -3.07 118.95 124.68 2pph s ARG 76 Ca 0.04 -0.32 0.03 0.00 -0.13 0.00 0.00 55.73 55.34 2pph s ARG 76 Cb -0.14 -4.00 0.01 0.00 -1.56 0.00 0.00 34.95 29.26 2pph s ARG 76 CO -0.02 -1.21 -0.12 0.42 -0.81 0.00 0.00 175.30 173.56 2pph s ILE 77 N 3.26 1.12 -0.28 4.11 1.01 -1.24 -3.58 121.20 125.60 2pph s ILE 77 Ca 0.26 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 2pph s ILE 77 Cb -0.14 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 2pph s ILE 77 CO 0.19 0.34 0.15 -0.22 0.00 0.00 0.00 174.94 175.41 2pph s LEU 78 N 0.45 3.88 -0.11 2.97 2.96 0.98 -3.07 118.68 126.73 2pph s LEU 78 Ca -0.10 -0.12 -0.16 0.00 -0.22 0.00 0.00 54.13 53.52 2pph s LEU 78 Cb -0.14 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 2pph s LEU 78 CO 0.03 -0.06 0.40 -0.76 -1.32 0.00 0.00 176.35 174.64 2pph s LEU 79 N 1.71 4.30 -0.03 -0.68 1.43 -0.87 -0.69 118.68 123.85 2pph s LEU 79 Ca 0.07 0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 53.87 2pph s LEU 79 Cb -0.16 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.51 2pph s LEU 79 CO 0.08 0.09 0.08 -0.76 0.23 0.00 0.00 176.35 176.07 2pph s LEU 80 N 0.30 1.58 0.25 1.79 1.02 -1.03 -4.73 118.68 117.85 2pph s LEU 80 Ca 0.22 0.16 -0.30 0.00 0.02 0.00 0.00 54.13 54.23 2pph s LEU 80 Cb -0.15 0.25 -0.10 0.00 0.02 0.00 0.00 46.19 46.21 2pph s LEU 80 CO 0.09 -0.04 1.44 -0.44 0.02 0.00 0.00 176.35 177.42 2pph s SER 81 N 0.21 6.65 -0.42 2.29 0.01 -1.26 0.20 113.70 121.37 2pph s SER 81 Ca -0.01 2.67 0.05 0.00 1.31 0.00 0.00 55.95 59.96 2pph s SER 81 Cb -0.02 -2.62 0.53 0.00 0.21 0.00 0.00 66.02 64.11 2pph s SER 81 CO -0.01 -0.71 1.68 1.67 0.41 0.00 0.00 173.24 176.28 2pph n GLN 82 N 2.39 2.40 -3.23 12.44 -0.06 -0.96 -4.84 117.38 125.52 2pph n GLN 82 Ca 0.07 -3.32 -0.03 0.00 -2.00 0.00 0.00 57.00 51.72 2pph n GLN 82 Cb 0.40 -2.09 -0.03 0.00 -4.06 0.00 0.00 30.24 24.46 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 -2.22 -0.58 -0.03 1.69 2.15 -1.26 -5.04 116.67 111.38 2pph s ASP 83 Ca 0.54 -0.21 -0.26 0.00 0.43 0.00 0.00 52.55 53.05 2pph s ASP 83 Cb 0.45 1.54 -0.20 0.00 -0.30 0.00 0.00 42.92 44.41 2pph s ASP 83 CO 0.03 -0.32 1.22 0.03 -0.17 0.00 0.00 175.17 175.96 2pph h ARG 84 N 7.98 -0.02 -3.85 4.34 -0.00 -2.02 -3.50 114.38 117.31 2pph h ARG 84 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 2pph h ARG 84 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.13 2pph h ARG 84 CO 0.20 0.50 -0.72 0.09 0.00 0.00 0.00 179.97 180.04 2pph n ASN 85 N -4.85 -7.45 -1.94 7.04 4.13 -1.26 -4.86 115.26 106.07 2pph n ASN 85 Ca -0.09 1.28 -0.19 0.00 1.68 0.00 0.00 54.58 57.26 2pph n ASN 85 Cb 0.26 -4.07 0.11 0.00 -1.54 0.00 0.00 39.78 34.55 2pph n ASN 85 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2pph n LEU 86 N 1.36 6.02 -4.32 3.41 7.94 -1.26 -4.91 117.00 125.24 2pph n LEU 86 Ca 0.00 -3.19 -0.17 0.00 -1.11 0.00 0.00 56.01 51.53 2pph n LEU 86 Cb 0.00 -0.81 -0.10 0.00 0.53 0.00 0.00 43.42 43.04 2pph n LEU 86 CO 0.00 1.00 -0.39 -0.70 -1.11 0.00 0.00 177.39 176.19 2pph s GLU 87 N -2.48 1.28 0.30 1.96 2.56 -1.26 -5.09 118.70 115.97 2pph s GLU 87 Ca 0.43 -1.60 0.00 0.00 0.00 0.00 0.00 54.97 53.80 2pph s GLU 87 Cb 0.35 -0.83 0.00 0.00 2.00 0.00 0.00 34.13 35.65 2pph s GLU 87 CO 0.06 0.05 0.00 0.72 -0.56 0.00 0.00 175.26 175.53 2pph n HIS 88 N -0.36 -2.23 0.00 5.30 8.25 -1.26 -5.05 115.22 119.87 2pph n HIS 88 Ca -0.08 1.21 0.00 0.00 -0.26 0.00 0.00 57.72 58.59 2pph n HIS 88 Cb 0.62 -2.15 0.00 0.00 1.12 0.00 0.00 29.99 29.58 2pph n HIS 88 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2pph n HIS 89 N -1.81 0.00 -3.44 4.41 8.25 -1.26 -5.10 115.22 116.26 2pph n HIS 89 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 2pph n HIS 89 Cb 0.19 0.35 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 2pph n HIS 89 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2pph s HIS 90 N -1.92 -1.06 -0.13 4.41 -3.43 -1.26 -5.15 115.29 106.76 2pph s HIS 90 Ca 0.00 1.66 -0.04 0.00 -0.80 0.00 0.00 55.06 55.88 2pph s HIS 90 Cb 0.00 0.57 0.05 0.00 -1.43 0.00 0.00 32.58 31.77 2pph s HIS 90 CO 0.00 -0.54 0.10 -1.58 -2.00 0.00 0.00 174.74 170.72 2pph s HIS 91 N 2.72 0.07 -0.15 0.38 5.04 -1.26 -5.13 115.29 116.96 2pph s HIS 91 Ca -0.00 -0.00 -0.28 0.00 -1.54 0.00 0.00 55.06 53.23 2pph s HIS 91 Cb -0.10 -0.55 0.08 0.00 0.04 0.00 0.00 32.58 32.05 2pph s HIS 91 CO -0.18 -0.40 0.75 -3.38 -2.34 0.00 0.00 174.74 169.19 2pph s HIS 92 N 2.18 -0.66 -1.87 3.88 -3.43 -1.26 -5.29 115.29 108.84 2pph s HIS 92 Ca 0.03 1.36 0.15 0.00 -0.80 0.00 0.00 55.06 55.80 2pph s HIS 92 Cb -0.14 0.36 0.12 0.00 -1.43 0.00 0.00 32.58 31.49 2pph s HIS 92 CO -0.07 -0.48 0.97 0.72 -2.00 0.00 0.00 174.74 173.89