#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 -0.04 0.33 1.08 0.01 -1.26 -5.02 113.70 108.81 2pph s SER 2 Ca 0.00 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2pph s SER 2 Cb 0.00 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2pph s SER 2 CO 0.00 -0.48 0.00 0.47 0.41 0.00 0.00 173.24 173.64 2pph n ASP 3 N 1.06 -5.34 -3.71 2.44 9.92 -1.26 -4.97 116.55 114.69 2pph n ASP 3 Ca -0.21 0.90 -0.18 0.00 -0.53 0.00 0.00 54.79 54.77 2pph n ASP 3 Cb 0.57 -2.55 -0.17 0.00 -0.64 0.00 0.00 41.12 38.33 2pph n ASP 3 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2pph s VAL 4 N -3.72 -0.08 -0.48 2.53 1.01 0.11 -4.93 120.40 114.84 2pph s VAL 4 Ca 0.00 0.35 -0.23 0.00 0.00 0.00 0.00 61.98 62.09 2pph s VAL 4 Cb 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 36.27 2pph s VAL 4 CO 0.00 0.15 0.82 -0.13 0.00 0.00 0.00 175.10 175.94 2pph s ARG 5 N 1.78 3.36 -0.20 2.72 3.00 -1.26 -2.01 118.95 126.34 2pph s ARG 5 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 55.73 55.47 2pph s ARG 5 Cb -0.12 -3.99 -0.02 0.00 0.00 0.00 0.00 34.95 30.82 2pph s ARG 5 CO -0.03 -1.24 -0.00 0.42 0.00 0.00 0.00 175.30 174.45 2pph s ILE 6 N 3.44 3.97 -0.27 1.52 1.01 -1.01 -3.88 121.20 125.98 2pph s ILE 6 Ca 0.29 -0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.48 2pph s ILE 6 Cb -0.13 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 2pph s ILE 6 CO 0.21 0.43 0.37 -0.75 0.00 0.00 0.00 174.94 175.21 2pph s LYS 7 N 0.95 4.03 -0.16 2.79 2.20 -1.14 -2.77 119.74 125.63 2pph s LYS 7 Ca 0.01 0.05 -0.01 0.00 -0.36 0.00 0.00 55.97 55.66 2pph s LYS 7 Cb -0.14 -3.65 -0.01 0.00 -1.51 0.00 0.00 37.83 32.52 2pph s LYS 7 CO 0.02 -0.26 -0.10 -0.06 -0.36 0.00 0.00 175.35 174.59 2pph s PHE 8 N 2.02 2.87 -0.02 4.03 0.08 -0.86 -3.67 117.98 122.44 2pph s PHE 8 Ca 0.15 -0.70 0.07 0.00 0.12 0.00 0.00 56.93 56.57 2pph s PHE 8 Cb -0.16 -1.92 -0.02 0.00 -0.57 0.00 0.00 43.02 40.36 2pph s PHE 8 CO 0.10 -0.28 -0.22 -1.83 -0.10 0.00 0.00 175.22 172.89 2pph s GLU 9 N 0.63 1.77 -0.12 0.44 -1.05 -1.24 -0.13 118.70 119.00 2pph s GLU 9 Ca -0.06 -0.77 -0.03 0.00 -0.15 0.00 0.00 54.97 53.96 2pph s GLU 9 Cb -0.15 -1.70 0.05 0.00 -0.44 0.00 0.00 34.13 31.88 2pph s GLU 9 CO 0.03 0.46 0.05 -1.58 0.95 0.00 0.00 175.26 175.17 2pph s HIS 10 N -0.49 0.44 -1.35 4.83 2.46 0.44 -3.52 115.29 118.09 2pph s HIS 10 Ca 0.08 -0.26 -0.07 0.00 0.47 0.00 0.00 55.06 55.28 2pph s HIS 10 Cb -0.08 -0.74 0.01 0.00 -0.13 0.00 0.00 32.58 31.64 2pph s HIS 10 CO -0.01 -0.42 0.91 -1.71 -2.47 0.00 0.00 174.74 171.04 2pph n ASN 11 N 5.21 -6.05 0.00 9.88 2.85 -1.26 -1.71 115.26 124.17 2pph n ASN 11 Ca -0.06 -0.42 0.00 0.00 -0.11 0.00 0.00 54.58 53.99 2pph n ASN 11 Cb 0.49 -4.75 0.00 0.00 1.24 0.00 0.00 39.78 36.76 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 -1.76 2.40 3.50 8.20 0.00 -1.26 -5.00 105.19 111.27 2pph n GLY 12 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.40 3.28 0.33 1.61 2.56 -0.70 -5.04 118.70 120.35 2pph s GLU 13 Ca 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 54.97 54.52 2pph s GLU 13 Cb 0.00 -4.06 -0.05 0.00 2.00 0.00 0.00 34.13 32.03 2pph s GLU 13 CO 0.00 -1.40 0.60 -0.98 -0.56 0.00 0.00 175.26 172.93 2pph s ARG 14 N 3.58 3.61 0.07 4.30 1.04 -1.26 -0.42 118.95 129.87 2pph s ARG 14 Ca 0.27 0.02 -0.09 0.00 -1.04 0.00 0.00 55.73 54.88 2pph s ARG 14 Cb -0.14 -2.59 0.00 0.00 -2.04 0.00 0.00 34.95 30.18 2pph s ARG 14 CO 0.18 0.13 0.20 0.50 -0.04 0.00 0.00 175.30 176.26 2pph s ARG 15 N -3.85 0.79 -0.20 3.89 3.52 0.82 -4.94 118.95 118.98 2pph s ARG 15 Ca 0.44 -0.82 -0.02 0.00 -0.13 0.00 0.00 55.73 55.20 2pph s ARG 15 Cb -0.10 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.61 2pph s ARG 15 CO 0.33 -0.24 -0.10 0.42 -0.81 0.00 0.00 175.30 174.90 2pph s ILE 16 N -3.34 2.93 -0.07 4.11 1.01 -1.26 -2.02 121.20 122.55 2pph s ILE 16 Ca 0.01 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.03 2pph s ILE 16 Cb 0.02 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.21 2pph s ILE 16 CO -0.08 0.46 -0.08 -0.63 0.00 0.00 0.00 174.94 174.61 2pph s ILE 17 N 1.39 0.92 0.18 2.92 1.01 -1.11 -5.05 121.20 121.45 2pph s ILE 17 Ca 0.05 -0.31 -0.13 0.00 0.00 0.00 0.00 60.65 60.26 2pph s ILE 17 Cb -0.14 -0.89 -0.07 0.00 0.01 0.00 0.00 42.46 41.37 2pph s ILE 17 CO -0.06 0.32 0.56 0.00 0.00 0.00 0.00 174.94 175.76 2pph s ALA 18 N 1.05 3.56 -0.02 9.38 0.00 -1.26 -2.41 121.76 132.06 2pph s ALA 18 Ca -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2pph s ALA 18 Cb -0.14 -2.52 0.02 0.00 0.00 0.00 0.00 23.12 20.48 2pph s ALA 18 CO -0.01 0.46 0.00 -0.06 0.00 0.00 0.00 175.76 176.16 2pph s PHE 19 N -1.58 0.21 0.71 0.00 0.08 -0.85 -4.99 117.98 111.55 2pph s PHE 19 Ca 0.41 0.02 -0.10 0.00 0.12 0.00 0.00 56.93 57.38 2pph s PHE 19 Cb -0.14 -0.29 0.03 0.00 -0.57 0.00 0.00 43.02 42.06 2pph s PHE 19 CO 0.20 -0.08 1.08 -1.54 -0.10 0.00 0.00 175.22 174.77 2pph s SER 20 N 0.72 5.26 -0.00 1.36 1.04 -1.26 0.08 113.70 120.89 2pph s SER 20 Ca -0.07 0.96 0.03 0.00 0.48 0.00 0.00 55.95 57.34 2pph s SER 20 Cb -0.10 -1.72 -0.03 0.00 0.10 0.00 0.00 66.02 64.27 2pph s SER 20 CO -0.02 -1.42 -0.05 -0.13 0.98 0.00 0.00 173.24 172.61 2pph s ARG 21 N -5.33 2.62 0.16 4.02 0.52 -1.26 -2.85 118.95 116.83 2pph s ARG 21 Ca 0.58 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.81 2pph s ARG 21 Cb -0.11 -2.54 -0.07 0.00 0.52 0.00 0.00 34.95 32.74 2pph s ARG 21 CO 0.50 0.61 1.03 -1.25 0.02 0.00 0.00 175.30 176.22 2pph s PRO 22 N -1.38 4.66 -0.10 3.54 0.04 -1.26 -4.92 135.00 135.58 2pph s PRO 22 Ca 0.17 1.60 -0.21 0.00 0.04 0.00 0.00 61.00 62.60 2pph s PRO 22 Cb -0.11 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 2pph s PRO 22 CO 0.07 0.18 0.61 0.54 0.04 0.00 0.00 177.00 178.44 2pph s VAL 23 N -0.29 5.10 -0.19 -0.36 0.11 -1.13 -5.06 120.40 118.57 2pph s VAL 23 Ca 0.47 1.24 -0.09 0.00 -2.93 0.00 0.00 61.98 60.67 2pph s VAL 23 Cb -0.27 -3.95 -0.05 0.00 -1.53 0.00 0.00 36.38 30.58 2pph s VAL 23 CO 0.33 0.27 0.12 -0.54 -3.33 0.00 0.00 175.10 171.95 2pph s LYS 24 N 0.83 4.11 0.21 1.54 -0.14 -1.26 -5.00 119.74 120.03 2pph s LYS 24 Ca 0.32 -0.23 -0.09 0.00 -1.36 0.00 0.00 55.97 54.61 2pph s LYS 24 Cb -0.17 -3.38 0.27 0.00 -1.68 0.00 0.00 37.83 32.87 2pph s LYS 24 CO 0.14 0.33 1.76 -0.92 -0.76 0.00 0.00 175.35 175.91 2pph h TYR 25 N 6.55 0.47 -0.78 3.18 5.03 -1.96 -1.46 116.97 128.00 2pph h TYR 25 Ca -0.41 0.03 0.03 0.00 2.58 0.00 0.00 58.73 60.95 2pph h TYR 25 Cb 1.16 -0.12 -0.05 0.00 1.55 0.00 0.00 36.73 39.27 2pph h TYR 25 CO 0.59 0.16 0.50 0.93 -1.32 0.00 0.00 178.16 179.02 2pph h GLU 26 N 0.48 0.94 -0.47 1.82 5.08 -1.98 0.08 114.58 120.53 2pph h GLU 26 Ca 0.30 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2pph h GLU 26 Cb 0.33 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2pph h GLU 26 CO -0.27 0.62 0.21 0.22 -1.00 0.00 0.00 179.01 178.79 2pph h ASP 27 N 0.97 0.64 -0.13 1.42 1.82 -1.74 0.60 116.42 120.01 2pph h ASP 27 Ca 0.31 -0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 2pph h ASP 27 Cb 0.00 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 39.84 2pph h ASP 27 CO -0.11 0.62 0.03 0.58 -1.61 0.00 0.00 179.24 178.75 2pph h VAL 28 N 0.62 1.20 -0.57 2.25 2.07 -0.86 -2.89 116.25 118.08 2pph h VAL 28 Ca 0.16 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 2pph h VAL 28 Cb 0.16 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2pph h VAL 28 CO -0.02 0.19 0.25 -0.08 0.02 0.00 0.00 177.57 177.93 2pph h GLU 29 N -0.00 0.81 -0.75 1.57 4.81 -0.90 -2.28 114.58 117.84 2pph h GLU 29 Ca 0.04 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2pph h GLU 29 Cb 0.26 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 2pph h GLU 29 CO 0.00 0.65 0.49 1.25 -0.73 0.00 0.00 179.01 180.67 2pph h HIS 30 N 0.81 0.85 -0.04 0.92 2.76 -0.69 0.18 115.15 119.93 2pph h HIS 30 Ca 0.20 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.34 2pph h HIS 30 Cb 0.12 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.80 2pph h HIS 30 CO 0.01 0.48 -0.15 0.87 -1.30 0.00 0.00 177.93 177.84 2pph h LYS 31 N 0.87 0.17 -0.47 5.26 1.57 -1.23 -2.66 116.57 120.09 2pph h LYS 31 Ca 0.31 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2pph h LYS 31 Cb 0.12 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2pph h LYS 31 CO -0.09 0.77 0.30 0.28 -0.57 0.00 0.00 179.45 180.14 2pph h VAL 32 N -0.39 1.10 -0.78 0.50 2.07 -1.07 -0.61 116.25 117.07 2pph h VAL 32 Ca -0.01 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2pph h VAL 32 Cb 0.79 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2pph h VAL 32 CO 0.03 0.11 0.41 0.00 0.02 0.00 0.00 177.57 178.15 2pph h THR 33 N 0.62 1.23 -0.16 2.57 1.03 -0.74 -1.92 112.91 115.54 2pph h THR 33 Ca 0.18 -0.60 -0.11 0.00 -0.01 0.00 0.00 66.41 65.86 2pph h THR 33 Cb -0.05 0.20 0.00 0.00 -1.07 0.00 0.00 68.15 67.22 2pph h THR 33 CO -0.05 0.27 -0.32 0.74 -0.01 0.00 0.00 175.52 176.15 2pph h THR 34 N 1.09 1.35 0.03 0.00 2.02 -1.09 0.61 112.91 116.92 2pph h THR 34 Ca 0.27 -1.57 -0.00 0.00 0.77 0.00 0.00 66.41 65.88 2pph h THR 34 Cb 0.05 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 2pph h THR 34 CO -0.04 0.47 -0.01 0.58 0.37 0.00 0.00 175.52 176.89 2pph h VAL 35 N 0.14 1.00 0.00 3.16 2.07 -0.97 -3.10 116.25 118.55 2pph h VAL 35 Ca 0.01 -0.08 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 2pph h VAL 35 Cb 0.92 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2pph h VAL 35 CO 0.07 0.02 -0.80 -0.26 0.02 0.00 0.00 177.57 176.62 2pph h PHE 36 N -0.07 0.00 0.00 1.57 0.04 -1.44 -3.48 116.94 113.56 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 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 2pph h PHE 36 CO -0.07 0.48 0.00 0.41 -0.60 0.00 0.00 178.31 178.53 2pph n GLY 37 N 1.27 0.85 3.64 -1.45 0.00 0.19 -5.06 105.19 104.63 2pph n GLY 37 Ca -0.02 -0.57 -0.03 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 -1.90 0.13 -0.43 1.61 -2.07 0.16 -4.98 119.66 112.18 2pph s GLN 38 Ca 0.00 0.06 -0.28 0.00 -1.82 0.00 0.00 55.36 53.31 2pph s GLN 38 Cb 0.00 0.06 0.00 0.00 -1.09 0.00 0.00 33.01 31.98 2pph s GLN 38 CO 0.00 -0.04 1.56 -1.25 -1.32 0.00 0.00 175.29 174.24 2pph s PRO 39 N -0.76 3.39 0.08 9.60 0.04 -1.26 -4.20 135.00 141.88 2pph s PRO 39 Ca 0.07 0.97 -0.18 0.00 0.04 0.00 0.00 61.00 61.90 2pph s PRO 39 Cb -0.02 -4.12 -0.07 0.00 0.04 0.00 0.00 34.50 30.34 2pph s PRO 39 CO -0.09 -1.80 0.55 -0.51 0.04 0.00 0.00 177.00 175.20 2pph s LEU 40 N 6.23 4.49 -0.17 -3.56 1.02 -1.26 -4.25 118.68 121.18 2pph s LEU 40 Ca 0.66 1.21 -0.29 0.00 0.02 0.00 0.00 54.13 55.72 2pph s LEU 40 Cb -0.16 -2.93 -0.01 0.00 0.02 0.00 0.00 46.19 43.11 2pph s LEU 40 CO 0.31 0.25 1.23 -0.62 0.02 0.00 0.00 176.35 177.54 2pph s ASP 41 N -1.21 6.97 -0.19 2.29 -1.08 -0.44 -4.75 116.67 118.26 2pph s ASP 41 Ca 0.30 1.66 -0.23 0.00 -0.52 0.00 0.00 52.55 53.76 2pph s ASP 41 Cb -0.18 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 38.72 2pph s ASP 41 CO 0.18 -0.74 0.74 -0.76 0.52 0.00 0.00 175.17 175.11 2pph s LEU 42 N 3.38 4.14 -0.18 -1.34 1.43 -1.26 -2.62 118.68 122.23 2pph s LEU 42 Ca 0.53 0.99 -0.02 0.00 -1.03 0.00 0.00 54.13 54.60 2pph s LEU 42 Cb -0.21 -3.07 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 2pph s LEU 42 CO 0.14 -0.36 -0.08 -1.00 0.23 0.00 0.00 176.35 175.28 2pph s HIS 43 N 2.16 2.90 -0.17 0.29 3.76 0.14 -1.12 115.29 123.26 2pph s HIS 43 Ca 0.33 -0.82 -0.04 0.00 -0.15 0.00 0.00 55.06 54.38 2pph s HIS 43 Cb -0.16 -1.99 -0.03 0.00 1.11 0.00 0.00 32.58 31.51 2pph s HIS 43 CO 0.11 -0.40 -0.02 -0.47 -0.85 0.00 0.00 174.74 173.11 2pph s TYR 44 N 0.97 3.05 -0.14 1.40 6.14 0.15 -0.33 117.35 128.58 2pph s TYR 44 Ca -0.01 -0.29 0.01 0.00 0.64 0.00 0.00 57.07 57.42 2pph s TYR 44 Cb -0.15 -1.99 -0.00 0.00 0.42 0.00 0.00 41.96 40.24 2pph s TYR 44 CO -0.00 -0.05 -0.18 -1.64 0.64 0.00 0.00 175.55 174.31 2pph s MET 45 N 0.47 3.17 -0.17 4.97 -1.94 -1.26 0.65 119.30 125.19 2pph s MET 45 Ca -0.03 -0.79 -0.21 0.00 -1.71 0.00 0.00 55.69 52.96 2pph s MET 45 Cb -0.14 -2.52 -0.18 0.00 2.01 0.00 0.00 34.83 34.00 2pph s MET 45 CO 0.02 0.08 0.30 -0.97 -0.01 0.00 0.00 175.02 174.44 2pph h ASN 46 N 7.09 0.00 0.00 3.03 -1.24 -1.88 -3.48 115.58 119.10 2pph h ASN 46 Ca -0.29 -0.54 0.00 0.00 0.71 0.00 0.00 56.30 56.18 2pph h ASN 46 Cb 1.20 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.25 2pph h ASN 46 CO 0.54 1.20 0.00 -3.20 -1.29 0.00 0.00 177.43 174.68 2pph n ASN 47 N -4.53 -1.00 -0.06 1.15 5.15 -1.26 -4.98 115.26 109.74 2pph n ASN 47 Ca -0.21 0.45 -0.03 0.00 -0.60 0.00 0.00 54.58 54.18 2pph n ASN 47 Cb 0.53 1.20 -0.12 0.00 -0.53 0.00 0.00 39.78 40.86 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 -2.74 1.34 -4.20 1.20 4.71 -1.26 -5.01 120.64 114.67 2pph n GLU 48 Ca 0.00 -0.04 -0.28 0.00 -0.01 0.00 0.00 57.16 56.83 2pph n GLU 48 Cb 0.00 -1.37 -0.08 0.00 -1.01 0.00 0.00 31.44 28.97 2pph n GLU 48 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2pph s LEU 49 N -4.83 3.27 -0.12 -4.62 2.01 -1.26 -5.13 118.68 108.00 2pph s LEU 49 Ca -0.07 -0.38 0.02 0.00 0.01 0.00 0.00 54.13 53.71 2pph s LEU 49 Cb 0.06 -1.96 -0.00 0.00 0.01 0.00 0.00 46.19 44.30 2pph s LEU 49 CO 0.61 0.12 -0.18 -0.55 1.01 0.00 0.00 176.35 177.36 2pph s SER 50 N -2.73 3.53 -0.10 2.29 0.15 -1.26 -2.54 113.70 113.03 2pph s SER 50 Ca 0.26 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.46 2pph s SER 50 Cb -0.10 -1.51 -0.02 0.00 -1.71 0.00 0.00 66.02 62.68 2pph s SER 50 CO 0.18 0.14 -0.13 -0.63 1.20 0.00 0.00 173.24 174.00 2pph s ILE 51 N 0.48 3.10 -0.16 6.45 -1.09 0.21 -4.98 121.20 125.20 2pph s ILE 51 Ca -0.13 -0.67 -0.14 0.00 -2.23 0.00 0.00 60.65 57.49 2pph s ILE 51 Cb -0.17 -2.27 -0.05 0.00 -1.58 0.00 0.00 42.46 38.40 2pph s ILE 51 CO 0.05 0.55 0.31 -0.22 -1.23 0.00 0.00 174.94 174.40 2pph s LEU 52 N -0.03 4.24 -0.53 2.97 0.20 -1.26 0.30 118.68 124.58 2pph s LEU 52 Ca -0.03 0.53 -0.27 0.00 0.69 0.00 0.00 54.13 55.05 2pph s LEU 52 Cb -0.14 -2.40 0.03 0.00 -0.43 0.00 0.00 46.19 43.25 2pph s LEU 52 CO 0.04 0.09 1.09 -0.76 -0.29 0.00 0.00 176.35 176.52 2pph s LEU 53 N 0.49 3.71 -0.10 -0.68 1.43 -0.28 -4.82 118.68 118.43 2pph s LEU 53 Ca 0.17 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2pph s LEU 53 Cb -0.13 -3.23 -0.07 0.00 0.03 0.00 0.00 46.19 42.79 2pph s LEU 53 CO 0.04 -1.30 -0.07 1.17 0.23 0.00 0.00 176.35 176.42 2pph n LYS 54 N 7.89 0.59 -4.35 1.70 4.81 -1.26 -4.44 118.16 123.10 2pph n LYS 54 Ca 0.08 0.05 -0.24 0.00 -0.87 0.00 0.00 58.31 57.33 2pph n LYS 54 Cb 0.49 -1.20 -0.07 0.00 0.02 0.00 0.00 35.03 34.26 2pph n LYS 54 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2pph n ASN 55 N -2.73 1.01 0.20 3.14 3.02 -1.26 -5.05 115.26 113.60 2pph n ASN 55 Ca -0.17 -3.14 0.04 0.00 -0.03 0.00 0.00 54.58 51.28 2pph n ASN 55 Cb 0.70 1.09 0.46 0.00 -0.61 0.00 0.00 39.78 41.41 2pph n ASN 55 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2pph h GLN 56 N 0.00 0.02 -0.95 3.52 4.20 -1.99 -2.74 115.11 117.17 2pph h GLN 56 Ca -0.30 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.45 2pph h GLN 56 Cb 1.19 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.91 2pph h GLN 56 CO 0.48 0.25 0.62 0.38 -0.67 0.00 0.00 178.83 179.89 2pph h ASP 57 N 0.02 1.00 -0.32 1.46 3.04 -1.99 0.17 116.42 119.80 2pph h ASP 57 Ca 0.00 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.70 2pph h ASP 57 Cb 0.41 -0.22 -0.01 0.00 -1.04 0.00 0.00 39.33 38.48 2pph h ASP 57 CO 0.03 0.66 -0.16 -0.78 -2.04 0.00 0.00 179.24 176.94 2pph h ASP 58 N 1.14 0.69 -0.44 4.15 3.58 -1.86 -1.96 116.42 121.72 2pph h ASP 58 Ca 0.40 -0.41 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 2pph h ASP 58 Cb 0.11 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 2pph h ASP 58 CO -0.14 0.95 0.21 0.25 -2.88 0.00 0.00 179.24 177.63 2pph h LEU 59 N 0.43 0.59 -0.74 2.28 6.46 -1.33 -1.43 115.31 121.56 2pph h LEU 59 Ca 0.07 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 2pph h LEU 59 Cb 0.70 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 2pph h LEU 59 CO 0.05 0.56 0.37 0.44 -0.62 0.00 0.00 178.44 179.23 2pph h ASP 60 N 0.57 0.96 -0.32 1.25 5.19 -0.66 -2.53 116.42 120.89 2pph h ASP 60 Ca 0.15 -0.13 -0.09 0.00 -0.62 0.00 0.00 57.03 56.35 2pph h ASP 60 Cb 0.13 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 2pph h ASP 60 CO -0.02 0.82 -0.10 0.11 -3.12 0.00 0.00 179.24 176.93 2pph h LYS 61 N 1.04 0.73 -0.70 3.56 1.57 -1.14 -2.53 116.57 119.10 2pph h LYS 61 Ca 0.26 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2pph h LYS 61 Cb 0.10 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2pph h LYS 61 CO -0.03 0.81 0.30 0.00 -0.57 0.00 0.00 179.45 179.96 2pph h ALA 62 N 1.22 0.91 -0.42 3.86 0.00 -0.89 -2.43 119.26 121.52 2pph h ALA 62 Ca 0.12 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2pph h ALA 62 Cb 0.55 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2pph h ALA 62 CO 0.03 0.51 0.01 0.82 0.00 0.00 0.00 179.25 180.62 2pph h ILE 63 N 0.99 1.26 -0.79 0.00 2.04 -1.32 -2.40 117.51 117.29 2pph h ILE 63 Ca 0.24 -1.01 0.08 0.00 1.00 0.00 0.00 64.86 65.17 2pph h ILE 63 Cb 0.17 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 2pph h ILE 63 CO -0.02 0.34 0.46 -0.78 0.00 0.00 0.00 178.15 178.15 2pph h ASP 64 N 0.57 0.67 -0.47 1.72 3.58 -1.24 -1.09 116.42 120.16 2pph h ASP 64 Ca 0.12 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.53 2pph h ASP 64 Cb 0.47 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 2pph h ASP 64 CO 0.02 0.40 -0.02 0.40 -2.88 0.00 0.00 179.24 177.16 2pph h ILE 65 N 0.79 1.26 -0.55 2.25 2.04 -1.30 -2.91 117.51 119.10 2pph h ILE 65 Ca 0.37 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 65.14 2pph h ILE 65 Cb 0.28 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2pph h ILE 65 CO -0.22 0.38 0.36 0.25 0.00 0.00 0.00 178.15 178.92 2pph h LEU 66 N 0.70 0.62 -1.41 1.44 5.85 -0.86 -2.00 115.31 119.65 2pph h LEU 66 Ca 0.13 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2pph h LEU 66 Cb 0.53 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 2pph h LEU 66 CO 0.03 0.45 0.46 0.44 -0.34 0.00 0.00 178.44 179.47 2pph h ASP 67 N 0.73 0.63 0.09 1.25 3.32 -1.13 -1.47 116.42 119.84 2pph h ASP 67 Ca 0.21 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.11 2pph h ASP 67 Cb -0.07 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2pph h ASP 67 CO -0.05 0.41 -0.50 -0.09 -1.72 0.00 0.00 179.24 177.28 2pph h ARG 68 N 0.72 0.47 -5.48 3.56 2.43 -1.19 -3.39 114.38 111.50 2pph h ARG 68 Ca 0.30 -0.27 -0.64 0.00 -0.81 0.00 0.00 59.98 58.56 2pph h ARG 68 Cb 0.27 0.02 -0.14 0.00 -0.42 0.00 0.00 29.97 29.70 2pph h ARG 68 CO -0.10 0.86 0.88 0.45 -1.51 0.00 0.00 179.97 180.55 2pph s SER 69 N -6.89 6.41 0.34 -3.80 0.15 -0.55 -4.87 113.70 104.49 2pph s SER 69 Ca -0.06 -1.45 0.02 0.00 0.70 0.00 0.00 55.95 55.16 2pph s SER 69 Cb 0.12 -2.45 0.62 0.00 -1.71 0.00 0.00 66.02 62.60 2pph s SER 69 CO 0.82 -1.34 1.97 0.77 1.20 0.00 0.00 173.24 176.66 2pph h SER 70 N 9.36 0.77 -0.35 5.45 4.64 -1.77 -1.73 113.55 129.92 2pph h SER 70 Ca -0.02 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2pph h SER 70 Cb 1.04 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.93 2pph h SER 70 CO 1.21 0.53 0.22 0.77 -0.87 0.00 0.00 176.83 178.69 2pph h SER 71 N 0.90 0.42 -3.34 4.97 4.64 -1.92 -3.40 113.55 115.82 2pph h SER 71 Ca 0.30 -0.02 -0.58 0.00 -0.47 0.00 0.00 61.79 61.02 2pph h SER 71 Cb 0.06 -0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 61.97 2pph h SER 71 CO -0.09 0.33 0.30 -0.04 -0.87 0.00 0.00 176.83 176.46 2pph s MET 72 N -5.41 4.27 -0.16 4.77 1.00 -0.65 -4.92 119.30 118.20 2pph s MET 72 Ca -0.08 0.89 0.08 0.00 0.00 0.00 0.00 55.69 56.59 2pph s MET 72 Cb 0.17 -3.57 -0.15 0.00 0.00 0.00 0.00 34.83 31.28 2pph s MET 72 CO 0.73 -0.29 -0.03 0.36 0.00 0.00 0.00 175.02 175.78 2pph n LYS 73 N 5.15 1.19 -4.36 2.03 0.00 -1.26 -4.87 118.16 116.03 2pph n LYS 73 Ca 0.03 0.04 -0.26 0.00 -0.00 0.00 0.00 58.31 58.12 2pph n LYS 73 Cb 0.49 -1.37 -0.10 0.00 -0.00 0.00 0.00 35.03 34.06 2pph n LYS 73 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2pph s SER 74 N -5.16 3.97 -0.13 -5.58 0.01 -1.26 -4.91 113.70 100.64 2pph s SER 74 Ca -0.14 -0.75 -0.18 0.00 1.31 0.00 0.00 55.95 56.19 2pph s SER 74 Cb 0.05 -0.54 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 2pph s SER 74 CO 0.52 0.08 0.48 -0.22 0.41 0.00 0.00 173.24 174.51 2pph s LEU 75 N -3.07 4.26 -0.45 2.44 1.98 -1.25 -4.97 118.68 117.61 2pph s LEU 75 Ca 0.26 0.79 -0.17 0.00 -2.89 0.00 0.00 54.13 52.12 2pph s LEU 75 Cb -0.07 -2.69 0.04 0.00 0.66 0.00 0.00 46.19 44.13 2pph s LEU 75 CO 0.15 -0.02 0.46 -0.13 -1.89 0.00 0.00 176.35 174.92 2pph s ARG 76 N 0.74 3.06 -0.06 1.98 3.00 -1.26 -2.90 118.95 123.51 2pph s ARG 76 Ca 0.26 -0.95 0.03 0.00 0.00 0.00 0.00 55.73 55.06 2pph s ARG 76 Cb -0.15 -4.04 0.01 0.00 0.00 0.00 0.00 34.95 30.77 2pph s ARG 76 CO 0.10 -0.97 -0.14 0.42 0.00 0.00 0.00 175.30 174.71 2pph s ILE 77 N 2.10 1.21 -0.29 1.52 1.09 -1.24 -4.09 121.20 121.50 2pph s ILE 77 Ca 0.10 -0.55 -0.10 0.00 -1.10 0.00 0.00 60.65 59.00 2pph s ILE 77 Cb -0.19 -1.08 -0.03 0.00 -1.06 0.00 0.00 42.46 40.10 2pph s ILE 77 CO 0.11 0.36 0.16 -0.22 -0.10 0.00 0.00 174.94 175.26 2pph s LEU 78 N 0.42 3.97 -0.10 2.97 2.96 0.55 -3.72 118.68 125.73 2pph s LEU 78 Ca -0.10 -0.24 -0.00 0.00 -0.22 0.00 0.00 54.13 53.56 2pph s LEU 78 Cb -0.14 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 2pph s LEU 78 CO 0.03 -0.11 -0.08 -1.48 -1.32 0.00 0.00 176.35 173.40 2pph s LEU 79 N 1.69 3.08 0.03 -0.68 0.05 -1.23 0.28 118.68 121.89 2pph s LEU 79 Ca 0.06 -0.12 0.01 0.00 0.05 0.00 0.00 54.13 54.14 2pph s LEU 79 Cb -0.16 -1.69 -0.02 0.00 -2.05 0.00 0.00 46.19 42.27 2pph s LEU 79 CO 0.08 0.27 -0.05 -0.76 -0.55 0.00 0.00 176.35 175.34 2pph s LEU 80 N -0.27 2.20 -0.71 1.48 1.02 -1.08 -4.69 118.68 116.63 2pph s LEU 80 Ca 0.04 -0.44 -0.26 0.00 0.02 0.00 0.00 54.13 53.48 2pph s LEU 80 Cb -0.13 -0.08 0.00 0.00 0.02 0.00 0.00 46.19 46.01 2pph s LEU 80 CO 0.03 -0.19 1.58 -0.44 0.02 0.00 0.00 176.35 177.35 2pph s SER 81 N -1.25 5.73 -0.40 2.29 0.01 -1.26 -1.33 113.70 117.49 2pph s SER 81 Ca -0.10 -0.19 0.09 0.00 1.31 0.00 0.00 55.95 57.07 2pph s SER 81 Cb -0.08 -2.55 0.31 0.00 0.21 0.00 0.00 66.02 63.91 2pph s SER 81 CO -0.00 -2.11 0.76 0.00 0.41 0.00 0.00 173.24 172.30 2pph n GLN 82 N 9.24 0.90 -3.84 12.44 10.64 -1.26 -5.01 117.38 140.49 2pph n GLN 82 Ca 0.15 -2.95 -0.36 0.00 -1.83 0.00 0.00 57.00 52.01 2pph n GLN 82 Cb 0.50 -1.45 -0.13 0.00 -0.86 0.00 0.00 30.24 28.30 2pph n GLN 82 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 2pph s ASP 83 N -1.87 4.79 -0.45 2.61 -4.77 -1.26 -4.80 116.67 110.93 2pph s ASP 83 Ca 0.35 -0.28 0.04 0.00 -3.30 0.00 0.00 52.55 49.36 2pph s ASP 83 Cb 0.29 -1.85 0.48 0.00 -1.09 0.00 0.00 42.92 40.75 2pph s ASP 83 CO -0.10 -0.02 1.62 0.54 0.70 0.00 0.00 175.17 177.92 2pph n ARG 84 N 4.82 2.78 -3.95 2.11 3.00 -1.26 -4.94 116.66 119.22 2pph n ARG 84 Ca -0.17 -3.55 -0.24 0.00 -0.01 0.00 0.00 57.85 53.88 2pph n ARG 84 Cb 0.51 -2.18 -0.17 0.00 0.00 0.00 0.00 32.46 30.62 2pph n ARG 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2pph s ASN 85 N -2.54 1.72 -0.35 0.55 4.22 -1.26 -5.00 114.94 112.29 2pph s ASN 85 Ca 0.55 -0.19 0.13 0.00 -2.14 0.00 0.00 52.86 51.22 2pph s ASN 85 Cb 0.45 -0.62 0.42 0.00 1.28 0.00 0.00 41.25 42.78 2pph s ASN 85 CO 0.02 -0.13 1.42 -0.11 -2.04 0.00 0.00 177.10 176.26 2pph n LEU 86 N 4.79 -1.10 -4.82 3.54 7.94 -1.26 -5.09 117.00 121.01 2pph n LEU 86 Ca -0.13 -3.29 -0.33 0.00 -1.11 0.00 0.00 56.01 51.15 2pph n LEU 86 Cb 0.50 0.13 -0.04 0.00 0.53 0.00 0.00 43.42 44.55 2pph n LEU 86 CO 0.16 1.68 0.69 -1.61 -1.11 0.00 0.00 177.39 177.20 2pph s GLU 87 N -0.45 3.89 0.09 1.96 2.02 -1.26 -4.99 118.70 119.96 2pph s GLU 87 Ca 0.15 1.16 0.00 0.00 0.02 0.00 0.00 54.97 56.31 2pph s GLU 87 Cb 0.42 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 32.53 2pph s GLU 87 CO -0.10 -0.33 0.00 0.72 0.02 0.00 0.00 175.26 175.57 2pph n HIS 88 N -1.18 -0.55 -1.00 1.61 8.25 -1.26 -4.82 115.22 116.26 2pph n HIS 88 Ca 0.08 0.10 -0.22 0.00 -0.26 0.00 0.00 57.72 57.42 2pph n HIS 88 Cb 0.53 0.24 0.16 0.00 1.12 0.00 0.00 29.99 32.04 2pph n HIS 88 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2pph n HIS 89 N -3.12 2.76 -3.59 4.41 -0.00 -1.26 -4.82 115.22 109.60 2pph n HIS 89 Ca 0.00 -1.73 -0.21 0.00 -0.00 0.00 0.00 57.72 55.78 2pph n HIS 89 Cb 0.15 -0.89 -0.15 0.00 -0.00 0.00 0.00 29.99 29.10 2pph n HIS 89 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2pph s HIS 90 N -2.97 -0.05 0.00 1.57 5.04 -1.26 -4.93 115.29 112.69 2pph s HIS 90 Ca 0.51 0.10 0.00 0.00 -1.54 0.00 0.00 55.06 54.14 2pph s HIS 90 Cb 0.43 -0.48 0.00 0.00 0.04 0.00 0.00 32.58 32.57 2pph s HIS 90 CO 0.10 -0.46 0.00 -2.39 -2.34 0.00 0.00 174.74 169.65 2pph n HIS 91 N 5.30 -0.09 -0.34 3.88 1.44 -1.26 -4.88 115.22 119.27 2pph n HIS 91 Ca -0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.65 2pph n HIS 91 Cb 0.49 0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.62 2pph n HIS 91 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2pph n HIS 92 N -0.99 -0.90 0.08 -1.40 -0.00 -1.26 -5.26 115.22 105.49 2pph n HIS 92 Ca 0.00 0.48 0.01 0.00 -0.00 0.00 0.00 57.72 58.21 2pph n HIS 92 Cb 0.00 -1.72 0.01 0.00 -0.00 0.00 0.00 29.99 28.28 2pph n HIS 92 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92