#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 -0.80 -3.64 1.08 7.64 -1.26 -4.94 113.62 111.70 2pph n SER 2 Ca 0.00 -1.92 -0.07 0.00 1.01 0.00 0.00 58.87 57.89 2pph n SER 2 Cb 0.00 1.45 -0.07 0.00 -1.01 0.00 0.00 64.21 64.58 2pph n SER 2 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2pph s ASP 3 N -2.09 -0.42 0.00 6.43 -4.77 -1.26 -4.02 116.67 110.55 2pph s ASP 3 Ca 0.13 0.77 0.01 0.00 -3.30 0.00 0.00 52.55 50.16 2pph s ASP 3 Cb -0.01 0.89 -0.00 0.00 -1.09 0.00 0.00 42.92 42.70 2pph s ASP 3 CO 0.09 -0.13 -0.02 -0.69 0.70 0.00 0.00 175.17 175.12 2pph s VAL 4 N 0.51 0.14 -0.50 2.11 1.01 -0.05 -4.96 120.40 118.66 2pph s VAL 4 Ca 0.00 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 61.60 2pph s VAL 4 Cb -0.05 -0.15 0.06 0.00 0.00 0.00 0.00 36.38 36.24 2pph s VAL 4 CO -0.10 -0.03 0.59 -0.13 0.00 0.00 0.00 175.10 175.43 2pph s ARG 5 N -0.25 3.10 -0.25 2.72 0.52 -1.26 -1.31 118.95 122.22 2pph s ARG 5 Ca -0.01 -0.95 -0.04 0.00 -0.52 0.00 0.00 55.73 54.21 2pph s ARG 5 Cb -0.02 -4.10 0.01 0.00 0.52 0.00 0.00 34.95 31.36 2pph s ARG 5 CO -0.00 -1.19 -0.01 0.42 0.02 0.00 0.00 175.30 174.54 2pph s ILE 6 N 2.49 3.42 -0.30 1.52 1.01 -1.00 -3.24 121.20 125.10 2pph s ILE 6 Ca 0.14 -0.71 -0.15 0.00 0.00 0.00 0.00 60.65 59.93 2pph s ILE 6 Cb -0.20 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 2pph s ILE 6 CO 0.11 0.25 0.37 -0.54 0.00 0.00 0.00 174.94 175.13 2pph s LYS 7 N 1.44 3.86 -0.18 2.79 1.02 -0.89 -3.15 119.74 124.64 2pph s LYS 7 Ca 0.03 -0.11 -0.13 0.00 0.02 0.00 0.00 55.97 55.77 2pph s LYS 7 Cb -0.16 -3.71 -0.05 0.00 -0.52 0.00 0.00 37.83 33.40 2pph s LYS 7 CO -0.02 -0.37 0.27 -0.06 -0.92 0.00 0.00 175.35 174.25 2pph s PHE 8 N 2.07 3.43 -0.12 3.18 0.40 -0.50 -2.67 117.98 123.78 2pph s PHE 8 Ca 0.14 0.53 0.03 0.00 -0.60 0.00 0.00 56.93 57.03 2pph s PHE 8 Cb -0.16 -2.33 0.00 0.00 0.51 0.00 0.00 43.02 41.04 2pph s PHE 8 CO 0.11 0.20 -0.22 -2.00 0.70 0.00 0.00 175.22 174.01 2pph s GLU 9 N 0.59 3.09 -0.07 0.44 2.12 -0.54 -0.06 118.70 124.28 2pph s GLU 9 Ca 0.15 -0.84 -0.03 0.00 0.36 0.00 0.00 54.97 54.61 2pph s GLU 9 Cb -0.13 -2.39 0.04 0.00 0.26 0.00 0.00 34.13 31.92 2pph s GLU 9 CO 0.03 0.13 0.12 -1.58 -0.54 0.00 0.00 175.26 173.43 2pph s HIS 10 N 0.47 -0.09 -1.47 5.30 2.46 0.60 -0.30 115.29 122.26 2pph s HIS 10 Ca -0.15 0.49 -0.11 0.00 0.47 0.00 0.00 55.06 55.76 2pph s HIS 10 Cb -0.17 -0.34 0.06 0.00 -0.13 0.00 0.00 32.58 32.00 2pph s HIS 10 CO 0.06 -0.24 0.86 -1.71 -2.47 0.00 0.00 174.74 171.24 2pph n ASN 11 N 5.31 -5.16 0.00 9.88 5.15 -1.26 -0.70 115.26 128.47 2pph n ASN 11 Ca -0.04 -0.58 0.00 0.00 -0.60 0.00 0.00 54.58 53.36 2pph n ASN 11 Cb 0.50 -4.14 0.00 0.00 -0.53 0.00 0.00 39.78 35.61 2pph n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pph n GLY 12 N -1.63 2.68 3.64 8.20 0.00 -1.26 -5.00 105.19 111.82 2pph n GLY 12 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.23 4.18 0.14 1.61 2.12 0.12 -5.06 118.70 121.58 2pph s GLU 13 Ca 0.00 0.75 0.02 0.00 0.36 0.00 0.00 54.97 56.11 2pph s GLU 13 Cb 0.00 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 2pph s GLU 13 CO 0.00 -0.41 0.27 -0.98 -0.54 0.00 0.00 175.26 173.60 2pph s ARG 14 N 2.48 3.41 -0.00 4.30 1.70 -1.26 -0.29 118.95 129.29 2pph s ARG 14 Ca 0.31 -0.60 -0.00 0.00 -0.47 0.00 0.00 55.73 54.97 2pph s ARG 14 Cb -0.16 -2.95 0.00 0.00 -0.57 0.00 0.00 34.95 31.27 2pph s ARG 14 CO 0.09 0.53 0.00 1.03 -1.08 0.00 0.00 175.30 175.87 2pph s ARG 15 N -3.16 0.00 -0.29 3.89 0.52 0.92 -4.96 118.95 115.87 2pph s ARG 15 Ca 0.34 0.00 -0.06 0.00 -0.52 0.00 0.00 55.73 55.49 2pph s ARG 15 Cb -0.11 -0.00 0.01 0.00 0.52 0.00 0.00 34.95 35.37 2pph s ARG 15 CO 0.28 -0.00 0.07 0.42 0.02 0.00 0.00 175.30 176.09 2pph s ILE 16 N 0.00 3.90 -0.01 1.52 1.01 -1.26 -1.42 121.20 124.95 2pph s ILE 16 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.93 2pph s ILE 16 Cb -0.00 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.47 2pph s ILE 16 CO -0.00 0.08 0.01 -0.63 0.00 0.00 0.00 174.94 174.40 2pph s ILE 17 N 1.49 -0.01 -0.13 2.92 1.01 -1.19 -5.06 121.20 120.23 2pph s ILE 17 Ca 0.02 0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.63 2pph s ILE 17 Cb -0.17 -0.05 -0.05 0.00 0.01 0.00 0.00 42.46 42.20 2pph s ILE 17 CO 0.02 0.04 0.27 0.00 0.00 0.00 0.00 174.94 175.27 2pph s ALA 18 N 0.42 3.67 -0.10 9.38 0.00 -1.26 -2.38 121.76 131.50 2pph s ALA 18 Ca -0.04 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.49 2pph s ALA 18 Cb -0.05 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.78 2pph s ALA 18 CO -0.01 0.26 -0.21 -0.06 0.00 0.00 0.00 175.76 175.73 2pph s PHE 19 N -0.08 2.34 0.56 0.00 0.40 -0.43 -4.92 117.98 115.85 2pph s PHE 19 Ca 0.17 -0.97 -0.12 0.00 -0.60 0.00 0.00 56.93 55.40 2pph s PHE 19 Cb -0.13 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.76 2pph s PHE 19 CO 0.05 -0.41 0.97 -1.54 0.70 0.00 0.00 175.22 174.99 2pph s SER 20 N 0.47 6.38 0.16 1.36 1.04 -1.26 -0.87 113.70 120.97 2pph s SER 20 Ca -0.17 1.39 0.06 0.00 0.48 0.00 0.00 55.95 57.72 2pph s SER 20 Cb -0.17 -2.45 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 2pph s SER 20 CO 0.07 -0.72 0.03 -0.13 0.98 0.00 0.00 173.24 173.47 2pph s ARG 21 N -4.69 2.52 0.09 4.02 0.52 -1.26 -3.47 118.95 116.69 2pph s ARG 21 Ca 0.55 -1.02 -0.30 0.00 -0.52 0.00 0.00 55.73 54.44 2pph s ARG 21 Cb -0.11 -2.44 -0.06 0.00 0.52 0.00 0.00 34.95 32.87 2pph s ARG 21 CO 0.44 0.47 1.13 -1.25 0.02 0.00 0.00 175.30 176.11 2pph s PRO 22 N -2.88 4.51 -0.21 3.54 0.04 -1.26 -4.06 135.00 134.68 2pph s PRO 22 Ca 0.28 1.68 -0.07 0.00 0.04 0.00 0.00 61.00 62.94 2pph s PRO 22 Cb -0.10 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 2pph s PRO 22 CO 0.19 -0.11 0.05 0.54 0.04 0.00 0.00 177.00 177.71 2pph s VAL 23 N 0.65 4.44 0.07 -0.36 0.11 -1.23 -5.09 120.40 118.99 2pph s VAL 23 Ca 0.55 -0.15 -0.22 0.00 -2.93 0.00 0.00 61.98 59.23 2pph s VAL 23 Cb -0.28 -3.03 -0.06 0.00 -1.53 0.00 0.00 36.38 31.48 2pph s VAL 23 CO 0.31 0.41 0.66 -0.54 -3.33 0.00 0.00 175.10 172.61 2pph s LYS 24 N 0.90 4.38 0.31 1.54 1.02 -1.26 -4.97 119.74 121.66 2pph s LYS 24 Ca 0.03 0.90 0.03 0.00 0.02 0.00 0.00 55.97 56.95 2pph s LYS 24 Cb -0.14 -3.30 0.61 0.00 -0.52 0.00 0.00 37.83 34.48 2pph s LYS 24 CO 0.02 0.47 1.88 -0.92 -0.92 0.00 0.00 175.35 175.89 2pph h TYR 25 N 5.03 1.02 -0.65 3.18 3.20 -1.98 -1.56 116.97 125.21 2pph h TYR 25 Ca -0.47 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.44 2pph h TYR 25 Cb 1.21 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 2pph h TYR 25 CO 0.66 0.46 0.43 1.49 -1.64 0.00 0.00 178.16 179.56 2pph h GLU 26 N 0.94 0.86 -0.52 1.82 4.81 -1.98 0.26 114.58 120.77 2pph h GLU 26 Ca 0.44 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 2pph h GLU 26 Cb 0.42 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2pph h GLU 26 CO -0.20 0.57 0.24 0.22 -0.73 0.00 0.00 179.01 179.11 2pph h ASP 27 N 0.89 0.70 -0.21 1.04 3.58 -1.70 0.15 116.42 120.86 2pph h ASP 27 Ca 0.24 -0.14 -0.07 0.00 0.42 0.00 0.00 57.03 57.48 2pph h ASP 27 Cb -0.10 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.77 2pph h ASP 27 CO -0.05 0.64 -0.15 0.58 -2.88 0.00 0.00 179.24 177.38 2pph h VAL 28 N 0.70 1.32 -0.75 2.25 2.07 -1.16 -3.04 116.25 117.64 2pph h VAL 28 Ca 0.18 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 2pph h VAL 28 Cb 0.14 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 2pph h VAL 28 CO -0.02 0.39 0.38 -0.08 0.02 0.00 0.00 177.57 178.26 2pph h GLU 29 N 0.16 1.06 -0.34 1.57 4.22 -0.36 -2.53 114.58 118.36 2pph h GLU 29 Ca 0.04 -0.13 0.03 0.00 0.08 0.00 0.00 59.36 59.38 2pph h GLU 29 Cb 0.67 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2pph h GLU 29 CO 0.04 0.80 0.15 1.25 -2.18 0.00 0.00 179.01 179.06 2pph h HIS 30 N 1.06 0.27 -0.31 0.92 2.76 -0.66 -0.26 115.15 118.93 2pph h HIS 30 Ca 0.26 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.44 2pph h HIS 30 Cb 0.07 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 2pph h HIS 30 CO 0.01 0.13 0.18 0.87 -1.30 0.00 0.00 177.93 177.82 2pph h LYS 31 N 0.31 0.44 -0.29 5.26 1.57 -1.39 -0.84 116.57 121.63 2pph h LYS 31 Ca 0.15 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2pph h LYS 31 Cb 0.08 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2pph h LYS 31 CO -0.12 0.36 0.09 0.28 -0.57 0.00 0.00 179.45 179.49 2pph h VAL 32 N 0.39 0.92 -0.81 0.50 2.07 -1.10 0.27 116.25 118.49 2pph h VAL 32 Ca 0.11 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 2pph h VAL 32 Cb 0.05 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2pph h VAL 32 CO -0.02 0.04 0.38 0.74 0.02 0.00 0.00 177.57 178.74 2pph h THR 33 N 0.22 1.25 -0.10 2.57 2.02 -0.86 -1.18 112.91 116.83 2pph h THR 33 Ca 0.13 -0.71 -0.07 0.00 0.77 0.00 0.00 66.41 66.53 2pph h THR 33 Cb 0.10 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2pph h THR 33 CO -0.14 0.30 -0.22 0.74 0.37 0.00 0.00 175.52 176.57 2pph h THR 34 N 1.15 1.39 0.02 3.16 2.02 -0.65 0.53 112.91 120.54 2pph h THR 34 Ca 0.28 -1.53 -0.00 0.00 0.77 0.00 0.00 66.41 65.93 2pph h THR 34 Cb 0.12 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 2pph h THR 34 CO -0.03 0.44 -0.01 0.58 0.37 0.00 0.00 175.52 176.87 2pph h VAL 35 N -0.12 1.04 0.00 3.16 2.07 -0.39 -3.09 116.25 118.92 2pph h VAL 35 Ca 0.00 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 2pph h VAL 35 Cb 0.82 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2pph h VAL 35 CO 0.05 0.04 -0.47 -0.26 0.02 0.00 0.00 177.57 176.95 2pph h PHE 36 N -0.09 0.00 -1.20 1.57 0.04 -1.31 -3.48 116.94 112.46 2pph h PHE 36 Ca -0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 2pph h PHE 36 Cb 0.09 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 2pph h PHE 36 CO -0.05 0.15 -0.21 0.41 -0.60 0.00 0.00 178.31 178.01 2pph n GLY 37 N 1.17 0.05 3.56 -1.45 0.00 0.18 -5.02 105.19 103.69 2pph n GLY 37 Ca 0.01 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 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 -4.44 0.65 -0.49 1.61 -2.07 -0.89 -5.01 119.66 109.03 2pph s GLN 38 Ca 0.01 0.07 -0.28 0.00 -1.82 0.00 0.00 55.36 53.34 2pph s GLN 38 Cb -0.00 0.30 0.01 0.00 -1.09 0.00 0.00 33.01 32.23 2pph s GLN 38 CO 0.01 -0.22 1.44 -1.25 -1.32 0.00 0.00 175.29 173.95 2pph s PRO 39 N -1.47 3.40 -0.04 9.60 0.04 -1.26 -4.33 135.00 140.94 2pph s PRO 39 Ca -0.01 0.72 -0.01 0.00 0.04 0.00 0.00 61.00 61.74 2pph s PRO 39 Cb -0.01 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.41 2pph s PRO 39 CO 0.00 -1.79 0.05 -0.51 0.04 0.00 0.00 177.00 174.78 2pph s LEU 40 N 5.92 3.77 -0.10 -3.56 1.02 -1.26 -2.95 118.68 121.52 2pph s LEU 40 Ca 0.58 0.14 -0.21 0.00 0.02 0.00 0.00 54.13 54.66 2pph s LEU 40 Cb -0.12 -2.07 -0.04 0.00 0.02 0.00 0.00 46.19 43.98 2pph s LEU 40 CO 0.29 0.32 0.62 -0.62 0.02 0.00 0.00 176.35 176.97 2pph s ASP 41 N -1.38 6.86 -0.61 2.29 2.15 0.17 -4.77 116.67 121.38 2pph s ASP 41 Ca 0.19 1.03 -0.24 0.00 0.43 0.00 0.00 52.55 53.96 2pph s ASP 41 Cb -0.12 -2.36 0.05 0.00 -0.30 0.00 0.00 42.92 40.19 2pph s ASP 41 CO 0.09 -0.09 0.99 -0.76 -0.17 0.00 0.00 175.17 175.23 2pph s LEU 42 N 0.83 4.09 -0.25 -1.34 1.43 -1.26 -2.77 118.68 119.40 2pph s LEU 42 Ca 0.33 -0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 52.67 2pph s LEU 42 Cb -0.17 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 2pph s LEU 42 CO 0.15 -1.38 0.48 -1.00 0.23 0.00 0.00 176.35 174.82 2pph s HIS 43 N 4.22 3.28 -0.22 0.29 3.76 -0.89 -2.40 115.29 123.34 2pph s HIS 43 Ca 0.28 0.61 -0.13 0.00 -0.15 0.00 0.00 55.06 55.66 2pph s HIS 43 Cb -0.14 -2.67 -0.04 0.00 1.11 0.00 0.00 32.58 30.84 2pph s HIS 43 CO 0.16 -0.23 0.29 -0.47 -0.85 0.00 0.00 174.74 173.64 2pph s TYR 44 N 2.10 3.35 -0.19 1.40 5.04 -0.08 -2.31 117.35 126.67 2pph s TYR 44 Ca 0.20 0.45 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 2pph s TYR 44 Cb -0.16 -2.41 0.04 0.00 0.35 0.00 0.00 41.96 39.79 2pph s TYR 44 CO 0.09 0.03 -0.07 0.00 -1.34 0.00 0.00 175.55 174.26 2pph s MET 45 N 1.17 1.71 -0.16 4.97 0.23 -1.25 -0.55 119.30 125.41 2pph s MET 45 Ca 0.14 -0.72 -0.16 0.00 -1.03 0.00 0.00 55.69 53.92 2pph s MET 45 Cb -0.14 -2.26 -0.13 0.00 -1.53 0.00 0.00 34.83 30.77 2pph s MET 45 CO 0.06 -0.45 0.16 -0.97 -2.03 0.00 0.00 175.02 171.79 2pph h ASN 46 N 8.04 0.00 0.00 -1.18 -1.24 -1.90 -3.45 115.58 115.85 2pph h ASN 46 Ca -0.25 -0.37 0.00 0.00 0.71 0.00 0.00 56.30 56.39 2pph h ASN 46 Cb 1.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.15 2pph h ASN 46 CO 0.43 1.06 0.00 0.59 -1.29 0.00 0.00 177.43 178.22 2pph n ASN 47 N -4.56 -1.62 -0.07 1.15 3.02 -1.26 -4.97 115.26 106.95 2pph n ASN 47 Ca -0.17 0.37 0.02 0.00 -0.03 0.00 0.00 54.58 54.78 2pph n ASN 47 Cb 0.43 1.76 0.03 0.00 -0.61 0.00 0.00 39.78 41.39 2pph n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2pph n GLU 48 N -2.92 1.69 -4.41 3.52 1.02 -1.26 -5.03 120.64 113.25 2pph n GLU 48 Ca 0.00 -1.48 -0.21 0.00 -0.02 0.00 0.00 57.16 55.44 2pph n GLU 48 Cb 0.00 -0.96 -0.16 0.00 -0.02 0.00 0.00 31.44 30.30 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 -1.11 1.65 -0.18 -4.62 2.96 -1.26 -5.14 118.68 110.99 2pph s LEU 49 Ca 0.07 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2pph s LEU 49 Cb 0.06 -0.61 -0.02 0.00 0.50 0.00 0.00 46.19 46.12 2pph s LEU 49 CO 0.01 0.03 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.59 2pph s SER 50 N 0.47 4.54 -0.09 3.68 0.01 -1.26 -3.08 113.70 117.97 2pph s SER 50 Ca -0.08 -0.25 0.02 0.00 1.31 0.00 0.00 55.95 56.95 2pph s SER 50 Cb -0.12 -1.75 -0.02 0.00 0.21 0.00 0.00 66.02 64.34 2pph s SER 50 CO 0.01 0.09 -0.15 -0.63 0.41 0.00 0.00 173.24 172.98 2pph s ILE 51 N 0.81 2.97 -0.23 1.44 1.01 0.29 -4.96 121.20 122.53 2pph s ILE 51 Ca -0.01 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 59.74 2pph s ILE 51 Cb -0.15 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 2pph s ILE 51 CO 0.02 0.55 0.51 -0.22 0.00 0.00 0.00 174.94 175.80 2pph s LEU 52 N -0.09 4.10 -1.09 2.97 0.20 -1.26 -0.90 118.68 122.61 2pph s LEU 52 Ca -0.02 0.60 -0.21 0.00 0.69 0.00 0.00 54.13 55.18 2pph s LEU 52 Cb -0.14 -2.68 0.06 0.00 -0.43 0.00 0.00 46.19 43.00 2pph s LEU 52 CO 0.04 -0.23 1.52 -0.76 -0.29 0.00 0.00 176.35 176.63 2pph s LEU 53 N 1.94 3.65 -0.10 -0.68 1.43 -1.01 -4.72 118.68 119.19 2pph s LEU 53 Ca 0.23 -1.75 0.11 0.00 -1.03 0.00 0.00 54.13 51.69 2pph s LEU 53 Cb -0.15 -2.57 -0.24 0.00 0.03 0.00 0.00 46.19 43.26 2pph s LEU 53 CO 0.09 -1.40 0.44 2.29 0.23 0.00 0.00 176.35 178.01 2pph n LYS 54 N 8.65 0.66 -4.13 1.70 0.00 -1.26 -4.66 118.16 119.12 2pph n LYS 54 Ca 0.37 0.21 -0.18 0.00 -0.00 0.00 0.00 58.31 58.72 2pph n LYS 54 Cb 0.50 -1.71 -0.06 0.00 -0.00 0.00 0.00 35.03 33.76 2pph n LYS 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2pph n ASN 55 N -3.04 -0.92 0.16 -5.58 2.85 -1.26 -5.04 115.26 102.42 2pph n ASN 55 Ca -0.24 -3.08 0.04 0.00 -0.11 0.00 0.00 54.58 51.20 2pph n ASN 55 Cb 1.07 1.95 0.48 0.00 1.24 0.00 0.00 39.78 44.52 2pph n ASN 55 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2pph h GLN 56 N 0.00 0.17 -0.75 1.20 1.08 -2.00 -2.71 115.11 112.10 2pph h GLN 56 Ca -0.24 -0.03 0.12 0.00 -1.45 0.00 0.00 58.65 57.05 2pph h GLN 56 Cb 1.19 -0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 28.51 2pph h GLN 56 CO 0.35 0.25 0.36 -0.44 -0.95 0.00 0.00 178.83 178.39 2pph h ASP 57 N 0.16 0.42 -0.61 1.46 5.19 -1.98 0.39 116.42 121.45 2pph h ASP 57 Ca 0.04 0.08 -0.10 0.00 -0.62 0.00 0.00 57.03 56.43 2pph h ASP 57 Cb 0.23 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 2pph h ASP 57 CO 0.01 0.21 -0.00 0.44 -3.12 0.00 0.00 179.24 176.78 2pph h ASP 58 N 0.56 1.06 -0.36 6.45 3.32 -1.83 -0.84 116.42 124.78 2pph h ASP 58 Ca 0.39 -0.31 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 2pph h ASP 58 Cb 0.50 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2pph h ASP 58 CO -0.33 1.11 -0.29 0.25 -1.72 0.00 0.00 179.24 178.27 2pph h LEU 59 N 0.98 0.88 -0.62 1.55 5.85 -1.25 -2.70 115.31 119.99 2pph h LEU 59 Ca 0.17 -0.45 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 2pph h LEU 59 Cb 0.57 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2pph h LEU 59 CO 0.03 1.14 0.03 -0.78 -0.34 0.00 0.00 178.44 178.53 2pph h ASP 60 N 0.63 1.05 -0.54 1.25 3.58 -0.18 -2.80 116.42 119.41 2pph h ASP 60 Ca 0.07 -0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.19 2pph h ASP 60 Cb 0.86 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.61 2pph h ASP 60 CO 0.08 1.08 0.22 0.50 -2.88 0.00 0.00 179.24 178.24 2pph h LYS 61 N 0.98 0.85 -0.68 0.28 1.63 -1.12 -2.44 116.57 116.07 2pph h LYS 61 Ca 0.18 -0.14 -0.04 0.00 -0.85 0.00 0.00 60.65 59.80 2pph h LYS 61 Cb 0.52 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 2pph h LYS 61 CO 0.03 0.70 0.26 0.00 -3.45 0.00 0.00 179.45 176.99 2pph h ALA 62 N 1.41 1.17 -0.62 5.00 0.00 -1.23 -2.81 119.26 122.18 2pph h ALA 62 Ca 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2pph h ALA 62 Cb 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2pph h ALA 62 CO -0.02 0.59 0.28 0.82 0.00 0.00 0.00 179.25 180.92 2pph h ILE 63 N 0.98 1.22 -0.61 0.00 2.04 -1.23 -1.51 117.51 118.41 2pph h ILE 63 Ca 0.23 -0.66 0.09 0.00 1.00 0.00 0.00 64.86 65.51 2pph h ILE 63 Cb 0.21 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 2pph h ILE 63 CO -0.02 0.27 0.24 0.44 0.00 0.00 0.00 178.15 179.08 2pph h ASP 64 N 0.86 0.26 -0.34 1.72 5.19 -1.31 0.21 116.42 123.03 2pph h ASP 64 Ca 0.21 0.07 -0.12 0.00 -0.62 0.00 0.00 57.03 56.57 2pph h ASP 64 Cb 0.16 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 2pph h ASP 64 CO -0.02 0.16 -0.28 0.40 -3.12 0.00 0.00 179.24 176.38 2pph h ILE 65 N 0.44 1.29 -0.51 0.35 2.04 -1.43 -2.64 117.51 117.05 2pph h ILE 65 Ca 0.30 -1.43 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 2pph h ILE 65 Cb 0.35 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2pph h ILE 65 CO -0.29 0.47 0.28 0.25 0.00 0.00 0.00 178.15 178.87 2pph h LEU 66 N 0.56 0.62 -0.99 1.44 5.85 -0.57 -2.49 115.31 119.74 2pph h LEU 66 Ca 0.06 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2pph h LEU 66 Cb 0.85 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 2pph h LEU 66 CO 0.07 0.53 0.47 0.44 -0.34 0.00 0.00 178.44 179.61 2pph h ASP 67 N 0.67 1.05 -0.29 1.25 3.32 -0.59 -2.30 116.42 119.54 2pph h ASP 67 Ca 0.18 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2pph h ASP 67 Cb 0.03 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2pph h ASP 67 CO -0.03 0.84 0.09 0.03 -1.72 0.00 0.00 179.24 178.45 2pph h ARG 68 N 1.19 0.53 -5.67 3.56 3.08 -1.13 -3.40 114.38 112.54 2pph h ARG 68 Ca 0.30 -0.08 -0.60 0.00 0.07 0.00 0.00 59.98 59.67 2pph h ARG 68 Cb 0.02 -0.09 -0.10 0.00 0.08 0.00 0.00 29.97 29.88 2pph h ARG 68 CO -0.05 0.49 0.34 0.45 -1.07 0.00 0.00 179.97 180.13 2pph s SER 69 N -6.72 6.72 0.13 7.04 0.15 -0.87 -4.94 113.70 115.22 2pph s SER 69 Ca -0.08 0.89 0.02 0.00 0.70 0.00 0.00 55.95 57.48 2pph s SER 69 Cb 0.16 -2.39 -0.13 0.00 -1.71 0.00 0.00 66.02 61.95 2pph s SER 69 CO 0.75 -0.45 1.29 0.28 1.20 0.00 0.00 173.24 176.31 2pph h SER 70 N 7.78 0.22 -0.67 5.45 0.02 -1.81 -3.28 113.55 121.26 2pph h SER 70 Ca -0.25 -0.21 -0.41 0.00 -0.84 0.00 0.00 61.79 60.09 2pph h SER 70 Cb 1.11 -0.07 -0.20 0.00 0.14 0.00 0.00 62.40 63.38 2pph h SER 70 CO 0.83 1.09 0.53 -1.54 -1.14 0.00 0.00 176.83 176.60 2pph n SER 71 N -3.54 5.47 -3.18 3.07 3.41 -1.26 -4.60 113.62 112.99 2pph n SER 71 Ca -0.04 -3.23 -0.18 0.00 -0.26 0.00 0.00 58.87 55.16 2pph n SER 71 Cb 0.90 -0.90 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 -2.43 0.94 -0.44 4.33 0.00 -1.24 -4.98 119.30 115.48 2pph s MET 72 Ca 0.41 -1.65 0.04 0.00 0.00 0.00 0.00 55.69 54.50 2pph s MET 72 Cb 0.33 -0.89 0.60 0.00 0.00 0.00 0.00 34.83 34.88 2pph s MET 72 CO 0.03 -1.35 1.82 1.63 0.00 0.00 0.00 175.02 177.15 2pph n LYS 73 N 3.00 2.24 -3.65 4.11 4.76 -1.26 -4.84 118.16 122.53 2pph n LYS 73 Ca 0.24 -3.11 -0.14 0.00 -2.87 0.00 0.00 58.31 52.43 2pph n LYS 73 Cb 0.50 -2.12 -0.08 0.00 -1.84 0.00 0.00 35.03 31.50 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 -1.68 -0.59 -0.10 4.39 0.01 -1.26 -4.70 113.70 109.77 2pph s SER 74 Ca 0.55 1.02 0.02 0.00 1.31 0.00 0.00 55.95 58.86 2pph s SER 74 Cb 0.47 1.02 -0.01 0.00 0.21 0.00 0.00 66.02 67.71 2pph s SER 74 CO 0.07 -0.29 -0.18 -1.48 0.41 0.00 0.00 173.24 171.77 2pph s LEU 75 N -0.08 2.47 -0.30 2.44 2.34 -1.20 -5.03 118.68 119.31 2pph s LEU 75 Ca -0.03 -0.40 -0.12 0.00 0.06 0.00 0.00 54.13 53.64 2pph s LEU 75 Cb -0.04 -1.52 -0.04 0.00 -0.56 0.00 0.00 46.19 44.04 2pph s LEU 75 CO 0.03 0.20 0.22 -0.13 -1.06 0.00 0.00 176.35 175.61 2pph s ARG 76 N 0.14 3.77 -0.06 1.48 0.52 -1.26 -2.09 118.95 121.45 2pph s ARG 76 Ca -0.09 -0.43 0.04 0.00 -0.52 0.00 0.00 55.73 54.73 2pph s ARG 76 Cb -0.16 -3.72 0.00 0.00 0.52 0.00 0.00 34.95 31.60 2pph s ARG 76 CO 0.06 -0.29 -0.17 0.42 0.02 0.00 0.00 175.30 175.33 2pph s ILE 77 N 1.77 1.51 -0.28 1.52 1.09 -1.09 -3.95 121.20 121.77 2pph s ILE 77 Ca 0.07 -0.73 -0.10 0.00 -1.10 0.00 0.00 60.65 58.80 2pph s ILE 77 Cb -0.17 -1.32 -0.04 0.00 -1.06 0.00 0.00 42.46 39.88 2pph s ILE 77 CO 0.11 0.44 0.16 -0.76 -0.10 0.00 0.00 174.94 174.78 2pph s LEU 78 N 0.30 3.90 -0.26 2.97 1.43 -0.98 -1.46 118.68 124.57 2pph s LEU 78 Ca -0.11 -0.12 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 2pph s LEU 78 Cb -0.14 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2pph s LEU 78 CO 0.04 -0.07 0.47 -0.76 0.23 0.00 0.00 176.35 176.27 2pph s LEU 79 N 1.71 4.05 -0.03 1.79 1.43 0.59 -2.08 118.68 126.14 2pph s LEU 79 Ca 0.07 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 2pph s LEU 79 Cb -0.16 -2.59 -0.00 0.00 0.03 0.00 0.00 46.19 43.47 2pph s LEU 79 CO 0.09 -0.26 -0.11 -1.48 0.23 0.00 0.00 176.35 174.82 2pph s LEU 80 N 2.24 1.85 0.41 1.79 0.05 -1.11 -4.60 118.68 119.31 2pph s LEU 80 Ca 0.19 -0.22 -0.24 0.00 0.05 0.00 0.00 54.13 53.91 2pph s LEU 80 Cb -0.16 -0.63 -0.09 0.00 -2.05 0.00 0.00 46.19 43.26 2pph s LEU 80 CO 0.09 0.10 1.08 -0.94 -0.55 0.00 0.00 176.35 176.13 2pph s SER 81 N 0.08 6.62 -0.47 1.48 1.04 -1.26 0.47 113.70 121.66 2pph s SER 81 Ca -0.02 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.52 2pph s SER 81 Cb -0.08 -2.59 0.43 0.00 0.10 0.00 0.00 66.02 63.87 2pph s SER 81 CO 0.01 -0.59 1.92 1.67 0.98 0.00 0.00 173.24 177.22 2pph n GLN 82 N -0.15 2.22 -3.45 4.02 -0.06 -1.15 -4.64 117.38 114.16 2pph n GLN 82 Ca 0.05 -2.54 -0.27 0.00 -2.00 0.00 0.00 57.00 52.24 2pph n GLN 82 Cb 0.49 -2.00 -0.10 0.00 -4.06 0.00 0.00 30.24 24.58 2pph n GLN 82 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2pph n ASP 83 N -0.58 0.72 -4.07 1.69 8.00 -1.26 -5.05 116.55 116.00 2pph n ASP 83 Ca 0.49 -2.70 -0.35 0.00 0.71 0.00 0.00 54.79 52.95 2pph n ASP 83 Cb 0.94 -0.62 -0.12 0.00 -0.02 0.00 0.00 41.12 41.30 2pph n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pph s ARG 84 N -0.73 2.14 -0.87 -1.24 1.70 -1.26 -4.79 118.95 113.91 2pph s ARG 84 Ca 0.32 -2.22 -0.03 0.00 -0.47 0.00 0.00 55.73 53.33 2pph s ARG 84 Cb 0.06 -3.55 -0.03 0.00 -0.57 0.00 0.00 34.95 30.86 2pph s ARG 84 CO -0.16 -1.10 0.79 0.09 -1.08 0.00 0.00 175.30 173.84 2pph n ASN 85 N 3.90 -7.31 -2.91 -2.89 4.13 -1.26 -5.03 115.26 103.88 2pph n ASN 85 Ca 0.03 -0.34 0.01 0.00 1.68 0.00 0.00 54.58 55.96 2pph n ASN 85 Cb 0.39 -5.27 0.00 0.00 -1.54 0.00 0.00 39.78 33.36 2pph n ASN 85 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2pph s LEU 86 N -4.58 -0.80 -0.09 3.41 0.20 -1.26 -5.03 118.68 110.52 2pph s LEU 86 Ca 0.19 -0.49 0.03 0.00 0.69 0.00 0.00 54.13 54.56 2pph s LEU 86 Cb -0.03 1.03 -0.08 0.00 -0.43 0.00 0.00 46.19 46.69 2pph s LEU 86 CO 0.74 -0.08 -0.04 -0.62 -0.29 0.00 0.00 176.35 176.07 2pph n GLU 87 N 3.80 1.38 -2.00 1.98 1.02 -1.26 -4.99 120.64 120.57 2pph n GLU 87 Ca 0.09 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.11 2pph n GLU 87 Cb 0.61 -1.20 -0.03 0.00 -0.02 0.00 0.00 31.44 30.81 2pph n GLU 87 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2pph n HIS 88 N -2.56 -0.47 0.00 -0.32 8.25 -1.26 -4.20 115.22 114.66 2pph n HIS 88 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2pph n HIS 88 Cb 0.71 -2.93 0.00 0.00 1.12 0.00 0.00 29.99 28.89 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 -3.54 0.00 -2.23 4.41 -0.00 -1.26 -4.73 115.22 107.87 2pph n HIS 89 Ca -0.17 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.01 2pph n HIS 89 Cb 0.58 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.45 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 0.00 -1.24 -2.23 1.57 8.25 -1.26 -4.96 115.22 115.35 2pph n HIS 90 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2pph n HIS 90 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.44 -2.31 -0.29 4.41 -0.00 -1.26 -4.91 115.22 110.43 2pph n HIS 91 Ca 0.00 1.01 0.06 0.00 -0.00 0.00 0.00 57.72 58.78 2pph n HIS 91 Cb 0.00 -2.99 0.27 0.00 -0.00 0.00 0.00 29.99 27.27 2pph n HIS 91 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2pph h HIS 92 N 1.68 0.99 -0.02 4.41 -0.00 -1.93 -3.48 115.15 116.80 2pph h HIS 92 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2pph h HIS 92 Cb 0.11 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.19 2pph h HIS 92 CO 0.02 0.49 0.00 1.58 -0.00 0.00 0.00 177.93 180.01