#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x65 n SER 2 N 0.00 -4.78 -3.57 1.61 2.88 -1.26 -5.03 113.62 103.48 1x65 n SER 2 Ca 0.00 1.21 -0.22 0.00 -1.33 0.00 0.00 58.87 58.53 1x65 n SER 2 Cb 0.00 -4.29 -0.15 0.00 -0.75 0.00 0.00 64.21 59.02 1x65 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x65 s SER 3 N -0.94 1.81 0.17 -3.46 1.04 -1.26 -5.14 113.70 105.93 1x65 s SER 3 Ca -0.12 -0.37 -0.13 0.00 0.48 0.00 0.00 55.95 55.81 1x65 s SER 3 Cb 0.01 0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.23 1x65 s SER 3 CO 0.58 -0.33 0.62 0.61 0.98 0.00 0.00 173.24 175.70 1x65 n GLY 4 N 5.30 1.02 4.33 7.32 0.00 -1.26 -4.97 105.19 116.93 1x65 n GLY 4 Ca -0.06 -1.11 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 1x65 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x65 n SER 5 N -1.16 -2.86 -1.77 1.61 2.88 -1.26 -4.77 113.62 106.30 1x65 n SER 5 Ca -0.03 -1.09 -0.07 0.00 -1.33 0.00 0.00 58.87 56.35 1x65 n SER 5 Cb 0.39 -2.38 -0.06 0.00 -0.75 0.00 0.00 64.21 61.41 1x65 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x65 n SER 6 N -2.59 5.48 -3.22 -3.46 7.64 -1.26 -4.53 113.62 111.69 1x65 n SER 6 Ca 0.09 -2.54 -0.30 0.00 1.01 0.00 0.00 58.87 57.13 1x65 n SER 6 Cb 0.48 -1.23 -0.04 0.00 -1.01 0.00 0.00 64.21 62.41 1x65 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x65 n GLY 7 N 1.70 5.52 3.73 0.23 0.00 -1.26 -5.05 105.19 110.06 1x65 n GLY 7 Ca 0.21 -2.75 -0.40 0.00 0.00 0.00 0.00 46.02 43.08 1x65 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x65 s ARG 8 N -3.38 4.51 0.14 1.61 0.52 -1.26 -4.87 118.95 116.21 1x65 s ARG 8 Ca 0.44 1.11 0.07 0.00 -0.52 0.00 0.00 55.73 56.84 1x65 s ARG 8 Cb 0.23 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 1x65 s ARG 8 CO -0.10 0.14 -0.07 -1.21 0.02 0.00 0.00 175.30 174.09 1x65 s GLU 9 N 0.43 2.21 0.21 3.54 0.41 -1.10 -4.94 118.70 119.47 1x65 s GLU 9 Ca 0.42 -1.08 0.08 0.00 -0.41 0.00 0.00 54.97 53.98 1x65 s GLU 9 Cb -0.20 -2.30 -0.04 0.00 -1.78 0.00 0.00 34.13 29.80 1x65 s GLU 9 CO 0.23 0.48 -0.02 -1.64 -0.49 0.00 0.00 175.26 173.82 1x65 s MET 10 N -2.53 2.30 0.06 1.61 -1.94 -1.26 -3.18 119.30 114.36 1x65 s MET 10 Ca 0.24 -1.25 -0.27 0.00 -1.71 0.00 0.00 55.69 52.71 1x65 s MET 10 Cb -0.10 -2.25 0.09 0.00 2.01 0.00 0.00 34.83 34.58 1x65 s MET 10 CO 0.16 0.42 0.81 0.20 -0.01 0.00 0.00 175.02 176.59 1x65 s GLY 11 N -3.18 -0.48 0.04 -0.03 0.00 -1.22 -1.85 107.32 100.59 1x65 s GLY 11 Ca 0.28 0.77 -0.07 0.00 0.00 0.00 0.00 44.72 45.70 1x65 s GLY 11 CO 0.18 0.25 0.31 -1.34 0.00 0.00 0.00 173.10 172.50 1x65 s VAL 12 N -3.33 5.24 -0.04 1.40 -7.23 -0.36 -3.06 120.40 113.02 1x65 s VAL 12 Ca 0.04 0.20 -0.30 0.00 -1.81 0.00 0.00 61.98 60.11 1x65 s VAL 12 Cb -0.01 -3.59 -0.05 0.00 0.56 0.00 0.00 36.38 33.28 1x65 s VAL 12 CO -0.09 0.31 1.47 -0.63 -0.31 0.00 0.00 175.10 175.84 1x65 s ILE 13 N -1.37 3.72 -0.12 -0.62 -1.09 -1.21 -0.02 121.20 120.49 1x65 s ILE 13 Ca 0.30 1.01 0.16 0.00 -2.23 0.00 0.00 60.65 59.90 1x65 s ILE 13 Cb -0.13 -3.65 -0.23 0.00 -1.58 0.00 0.00 42.46 36.86 1x65 s ILE 13 CO 0.18 -0.04 0.41 0.00 -1.23 0.00 0.00 174.94 174.26 1x65 n ALA 14 N 6.08 1.65 -3.04 9.38 0.00 -0.01 -2.16 120.51 132.42 1x65 n ALA 14 Ca 0.15 -0.97 -0.11 0.00 0.00 0.00 0.00 53.44 52.51 1x65 n ALA 14 Cb 0.43 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 19.27 1x65 n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x65 s ALA 15 N -2.66 -0.96 -0.41 0.00 0.00 -1.24 -4.96 121.76 111.54 1x65 s ALA 15 Ca -0.07 0.05 0.04 0.00 0.00 0.00 0.00 51.96 51.98 1x65 s ALA 15 Cb 0.08 0.60 0.16 0.00 0.00 0.00 0.00 23.12 23.96 1x65 s ALA 15 CO 0.83 -0.59 0.38 -1.64 0.00 0.00 0.00 175.76 174.74 1x65 s MET 16 N -3.43 0.81 0.11 0.00 1.00 -1.26 -2.40 119.30 114.12 1x65 s MET 16 Ca 0.01 -1.56 -0.02 0.00 0.00 0.00 0.00 55.69 54.11 1x65 s MET 16 Cb 0.01 -1.04 -0.05 0.00 0.00 0.00 0.00 34.83 33.75 1x65 s MET 16 CO -0.09 -1.31 0.30 1.03 0.00 0.00 0.00 175.02 174.94 1x65 s ARG 17 N 0.64 3.53 -0.66 2.03 3.00 -0.35 -4.99 118.95 122.14 1x65 s ARG 17 Ca 0.27 -0.27 -0.26 0.00 0.00 0.00 0.00 55.73 55.47 1x65 s ARG 17 Cb -0.05 -2.94 -0.10 0.00 0.00 0.00 0.00 34.95 31.86 1x65 s ARG 17 CO -0.11 0.53 2.36 0.34 0.00 0.00 0.00 175.30 178.42 1x65 s ASP 18 N -2.51 4.25 0.00 0.23 2.15 -1.26 -1.52 116.67 118.02 1x65 s ASP 18 Ca 0.38 0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.82 1x65 s ASP 18 Cb -0.12 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1x65 s ASP 18 CO 0.26 -3.33 0.00 0.61 -0.17 0.00 0.00 175.17 172.55 1x65 n GLY 19 N 6.42 2.68 3.81 2.66 0.00 -1.26 -5.10 105.19 114.40 1x65 n GLY 19 Ca 0.41 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1x65 n GLY 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x65 s PHE 20 N -0.15 0.09 0.00 1.61 -0.12 -0.58 -3.67 117.98 115.16 1x65 s PHE 20 Ca 0.00 -0.75 0.00 0.00 -0.05 0.00 0.00 56.93 56.13 1x65 s PHE 20 Cb 0.00 0.83 0.00 0.00 -0.63 0.00 0.00 43.02 43.22 1x65 s PHE 20 CO 0.00 -1.54 0.00 0.41 -0.05 0.00 0.00 175.22 174.04 1x65 n GLY 21 N -0.52 3.08 3.11 1.99 0.00 -0.87 -1.21 105.19 110.77 1x65 n GLY 21 Ca -0.08 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 1x65 n GLY 21 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x65 s PHE 22 N -4.31 -0.10 -0.33 1.61 0.08 -1.01 -3.16 117.98 110.77 1x65 s PHE 22 Ca 0.00 0.21 -0.01 0.00 0.12 0.00 0.00 56.93 57.24 1x65 s PHE 22 Cb 0.00 0.02 0.11 0.00 -0.57 0.00 0.00 43.02 42.58 1x65 s PHE 22 CO 0.00 -0.22 0.15 0.42 -0.10 0.00 0.00 175.22 175.46 1x65 s ILE 23 N -0.73 0.51 0.04 0.64 1.01 -1.25 -0.83 121.20 120.59 1x65 s ILE 23 Ca -0.08 -1.40 -0.30 0.00 0.00 0.00 0.00 60.65 58.86 1x65 s ILE 23 Cb -0.05 -1.39 -0.08 0.00 0.01 0.00 0.00 42.46 40.95 1x65 s ILE 23 CO 0.01 -0.78 1.77 -0.75 0.00 0.00 0.00 174.94 175.19 1x65 s LYS 24 N 1.51 4.17 0.15 2.79 2.20 0.97 -1.82 119.74 129.72 1x65 s LYS 24 Ca 0.12 2.42 -0.34 0.00 -0.36 0.00 0.00 55.97 57.81 1x65 s LYS 24 Cb -0.19 -3.84 -0.13 0.00 -1.51 0.00 0.00 37.83 32.16 1x65 s LYS 24 CO -0.21 -0.84 1.62 0.00 -0.36 0.00 0.00 175.35 175.57 1x65 h VAL 26 N 3.77 1.14 0.06 0.00 3.04 -1.72 -3.15 116.25 119.40 1x65 h VAL 26 Ca -0.45 -0.35 -0.37 0.00 -1.01 0.00 0.00 66.70 64.53 1x65 h VAL 26 Cb 1.25 0.04 -0.04 0.00 -2.01 0.00 0.00 31.29 30.52 1x65 h VAL 26 CO 0.90 0.18 -2.12 -0.67 -1.01 0.00 0.00 177.57 174.86 1x65 n ASP 27 N -4.44 2.03 -4.39 3.17 -0.08 -1.26 -4.90 116.55 106.67 1x65 n ASP 27 Ca 0.10 0.13 -0.26 0.00 -1.51 0.00 0.00 54.79 53.25 1x65 n ASP 27 Cb 0.10 -0.73 0.15 0.00 2.34 0.00 0.00 41.12 42.99 1x65 n ASP 27 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1x65 s ARG 28 N -2.52 1.12 -0.39 -0.67 0.52 -1.19 -5.03 118.95 110.78 1x65 s ARG 28 Ca -0.29 -0.85 0.07 0.00 -0.52 0.00 0.00 55.73 54.15 1x65 s ARG 28 Cb 0.08 -2.10 0.43 0.00 0.52 0.00 0.00 34.95 33.88 1x65 s ARG 28 CO 0.67 -1.95 1.11 -0.25 0.02 0.00 0.00 175.30 174.90 1x65 n ASP 29 N -3.29 4.33 -3.94 0.23 8.00 -1.26 -4.17 116.55 116.45 1x65 n ASP 29 Ca 0.16 -3.57 -0.10 0.00 0.71 0.00 0.00 54.79 51.98 1x65 n ASP 29 Cb 0.60 -0.44 -0.12 0.00 -0.02 0.00 0.00 41.12 41.14 1x65 n ASP 29 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1x65 s VAL 30 N -5.06 0.07 0.40 2.53 -7.23 -1.26 -4.97 120.40 104.88 1x65 s VAL 30 Ca 0.46 -0.59 -0.19 0.00 -1.81 0.00 0.00 61.98 59.85 1x65 s VAL 30 Cb 0.41 -0.17 -0.10 0.00 0.56 0.00 0.00 36.38 37.07 1x65 s VAL 30 CO -0.12 -0.32 0.88 -0.13 -0.31 0.00 0.00 175.10 175.10 1x65 s ARG 31 N -0.95 4.14 -0.84 4.82 0.52 -1.26 -1.61 118.95 123.77 1x65 s ARG 31 Ca -0.10 0.96 -0.01 0.00 -0.52 0.00 0.00 55.73 56.06 1x65 s ARG 31 Cb -0.06 -2.26 0.21 0.00 0.52 0.00 0.00 34.95 33.36 1x65 s ARG 31 CO -0.01 0.01 0.71 1.41 0.02 0.00 0.00 175.30 177.44 1x65 s MET 32 N -3.18 3.08 -0.46 3.54 -2.45 -0.75 -4.82 119.30 114.26 1x65 s MET 32 Ca 0.59 -3.24 -0.44 0.00 -1.25 0.00 0.00 55.69 51.35 1x65 s MET 32 Cb -0.09 -3.85 -0.19 0.00 1.25 0.00 0.00 34.83 31.95 1x65 s MET 32 CO 0.15 -1.26 1.84 0.34 1.05 0.00 0.00 175.02 177.14 1x65 n PHE 33 N 2.36 1.59 -4.40 4.11 -0.00 -1.26 -3.85 117.46 116.00 1x65 n PHE 33 Ca 0.20 0.89 -0.21 0.00 -0.00 0.00 0.00 57.45 58.33 1x65 n PHE 33 Cb 0.37 -2.30 -0.10 0.00 -0.00 0.00 0.00 39.48 37.44 1x65 n PHE 33 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.76 176.17 1x65 s PHE 34 N 4.35 1.92 0.19 -5.13 -0.12 -1.19 -4.43 117.98 113.57 1x65 s PHE 34 Ca 1.09 -0.57 0.08 0.00 -0.05 0.00 0.00 56.93 57.49 1x65 s PHE 34 Cb -1.40 -0.96 -0.04 0.00 -0.63 0.00 0.00 43.02 39.99 1x65 s PHE 34 CO 0.72 0.40 -0.05 -1.01 -0.05 0.00 0.00 175.22 175.23 1x65 s HIS 35 N -2.89 2.71 -0.02 3.49 3.76 -1.26 -2.04 115.29 119.03 1x65 s HIS 35 Ca 0.27 -0.19 -0.02 0.00 -0.15 0.00 0.00 55.06 54.96 1x65 s HIS 35 Cb 0.00 -1.30 -0.07 0.00 1.11 0.00 0.00 32.58 32.32 1x65 s HIS 35 CO 0.10 0.53 2.48 1.19 -0.85 0.00 0.00 174.74 178.20 1x65 n PHE 36 N -0.14 0.08 0.00 1.40 3.01 -1.24 -3.27 117.46 117.30 1x65 n PHE 36 Ca -0.10 -1.20 0.00 0.00 1.01 0.00 0.00 57.45 57.17 1x65 n PHE 36 Cb 0.56 -0.85 0.00 0.00 -0.01 0.00 0.00 39.48 39.18 1x65 n PHE 36 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1x65 n SER 37 N 1.73 2.89 0.13 4.37 7.64 -1.26 -4.73 113.62 124.39 1x65 n SER 37 Ca 0.14 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.15 1x65 n SER 37 Cb 0.62 0.29 0.29 0.00 -1.01 0.00 0.00 64.21 64.41 1x65 n SER 37 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1x65 h GLU 38 N 0.00 0.00 0.00 1.43 4.39 -1.86 -3.20 114.58 115.34 1x65 h GLU 38 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1x65 h GLU 38 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1x65 h GLU 38 CO 0.00 0.00 0.00 -0.89 -1.16 0.00 0.00 179.01 176.96 1x65 n ILE 39 N -2.51 0.00 0.11 3.13 5.41 -1.26 0.44 119.36 124.68 1x65 n ILE 39 Ca 0.05 0.00 0.20 0.00 1.00 0.00 0.00 62.75 64.00 1x65 n ILE 39 Cb 0.47 -0.72 0.74 0.00 -0.71 0.00 0.00 39.64 39.41 1x65 n ILE 39 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 1x65 h LEU 40 N 0.00 0.00 -1.88 1.39 8.10 -1.78 -1.46 115.31 119.68 1x65 h LEU 40 Ca 0.00 0.00 0.46 0.00 0.11 0.00 0.00 57.88 58.45 1x65 h LEU 40 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.16 1x65 h LEU 40 CO 0.00 0.00 1.20 0.44 -4.11 0.00 0.00 178.44 175.97 1x65 h ASP 41 N 0.00 0.00 0.00 0.17 5.19 -1.70 -3.44 116.42 116.64 1x65 h ASP 41 Ca 0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1x65 h ASP 41 Cb 1.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.60 1x65 h ASP 41 CO -0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1x65 n GLY 42 N -1.84 0.53 0.00 2.75 0.00 -0.55 -4.99 105.19 101.09 1x65 n GLY 42 Ca 0.35 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1x65 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x65 n ASN 43 N 0.00 0.00 -4.64 1.61 3.02 -1.25 -4.69 115.26 109.31 1x65 n ASN 43 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1x65 n ASN 43 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1x65 n ASN 43 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1x65 s GLN 44 N 0.00 4.11 0.93 3.52 -0.21 -1.26 -4.82 119.66 121.93 1x65 s GLN 44 Ca 0.00 1.02 -0.13 0.00 0.02 0.00 0.00 55.36 56.26 1x65 s GLN 44 Cb 0.00 -3.70 0.15 0.00 1.00 0.00 0.00 33.01 30.47 1x65 s GLN 44 CO 0.00 -0.72 1.17 -0.51 -2.12 0.00 0.00 175.29 173.11 1x65 s LEU 45 N 3.25 2.07 -0.21 2.90 1.02 -1.26 -5.05 118.68 121.41 1x65 s LEU 45 Ca 0.40 0.79 -0.33 0.00 0.02 0.00 0.00 54.13 55.01 1x65 s LEU 45 Cb -0.14 -3.04 0.15 0.00 0.02 0.00 0.00 46.19 43.18 1x65 s LEU 45 CO 0.11 -2.63 1.21 -2.28 0.02 0.00 0.00 176.35 172.78 1x65 s HIS 46 N -3.40 -0.14 -0.43 0.29 2.46 -1.26 -5.08 115.29 107.72 1x65 s HIS 46 Ca 0.66 0.15 -0.40 0.00 0.47 0.00 0.00 55.06 55.94 1x65 s HIS 46 Cb -0.12 0.50 -0.17 0.00 -0.13 0.00 0.00 32.58 32.66 1x65 s HIS 46 CO 0.53 -0.18 1.45 -0.89 -2.47 0.00 0.00 174.74 173.17 1x65 n ILE 47 N 0.16 0.00 -2.84 0.89 2.08 -1.26 -2.02 119.36 116.36 1x65 n ILE 47 Ca -0.01 0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.30 1x65 n ILE 47 Cb 0.58 -0.43 0.00 0.00 -0.75 0.00 0.00 39.64 39.04 1x65 n ILE 47 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x65 n ALA 48 N 3.88 -2.39 -3.61 -1.39 0.00 -0.92 -4.94 120.51 111.14 1x65 n ALA 48 Ca 0.30 0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.56 1x65 n ALA 48 Cb -0.05 -1.38 -0.17 0.00 0.00 0.00 0.00 19.45 17.85 1x65 n ALA 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x65 s ASP 49 N -2.84 1.39 0.14 0.00 1.01 -0.86 -4.75 116.67 110.76 1x65 s ASP 49 Ca 0.01 -0.20 -0.31 0.00 0.71 0.00 0.00 52.55 52.76 1x65 s ASP 49 Cb -0.00 -0.61 -0.08 0.00 1.01 0.00 0.00 42.92 43.23 1x65 s ASP 49 CO 0.65 -0.04 1.37 -1.61 0.21 0.00 0.00 175.17 175.75 1x65 s GLU 50 N 0.99 4.34 -0.02 8.23 2.02 -1.26 -3.33 118.70 129.67 1x65 s GLU 50 Ca -0.09 2.08 -0.01 0.00 0.02 0.00 0.00 54.97 56.97 1x65 s GLU 50 Cb -0.14 -3.23 0.01 0.00 0.10 0.00 0.00 34.13 30.87 1x65 s GLU 50 CO 0.00 -0.38 0.04 0.14 0.02 0.00 0.00 175.26 175.07 1x65 s VAL 51 N 0.77 -0.02 -0.18 2.63 -7.23 -1.17 -2.61 120.40 112.59 1x65 s VAL 51 Ca 0.62 0.09 -0.07 0.00 -1.81 0.00 0.00 61.98 60.81 1x65 s VAL 51 Cb -0.37 -0.07 -0.04 0.00 0.56 0.00 0.00 36.38 36.46 1x65 s VAL 51 CO 0.33 0.04 0.05 -0.70 -0.31 0.00 0.00 175.10 174.51 1x65 s GLU 52 N 0.46 3.92 0.06 4.82 -6.30 -0.74 -3.44 118.70 117.47 1x65 s GLU 52 Ca -0.04 -0.37 0.02 0.00 -2.50 0.00 0.00 54.97 52.08 1x65 s GLU 52 Cb -0.05 -3.18 -0.03 0.00 0.00 0.00 0.00 34.13 30.86 1x65 s GLU 52 CO -0.01 0.24 -0.07 -0.59 0.02 0.00 0.00 175.26 174.85 1x65 s PHE 53 N 0.44 0.72 -0.14 5.30 -0.12 -1.19 -2.95 117.98 120.03 1x65 s PHE 53 Ca 0.02 -0.69 -0.13 0.00 -0.05 0.00 0.00 56.93 56.08 1x65 s PHE 53 Cb -0.13 -0.43 -0.10 0.00 -0.63 0.00 0.00 43.02 41.73 1x65 s PHE 53 CO 0.01 -0.13 0.16 1.15 -0.05 0.00 0.00 175.22 176.36 1x65 h THR 54 N 3.86 0.57 -3.14 -4.49 2.02 -1.84 -2.91 112.91 106.97 1x65 h THR 54 Ca -0.35 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.31 1x65 h THR 54 Cb 1.19 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1x65 h THR 54 CO 0.51 0.19 -0.78 0.52 0.37 0.00 0.00 175.52 176.34 1x65 n VAL 55 N -4.64 -4.44 -3.69 3.16 0.31 -1.26 -4.58 118.33 103.21 1x65 n VAL 55 Ca -0.10 1.96 -0.14 0.00 -0.01 0.00 0.00 64.34 66.05 1x65 n VAL 55 Cb 0.30 -2.73 -0.08 0.00 -0.91 0.00 0.00 33.84 30.41 1x65 n VAL 55 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1x65 s VAL 56 N -3.43 0.01 0.13 2.52 -7.23 -1.25 -5.00 120.40 106.15 1x65 s VAL 56 Ca 0.00 -0.11 -0.31 0.00 -1.81 0.00 0.00 61.98 59.75 1x65 s VAL 56 Cb 0.00 -0.73 -0.08 0.00 0.56 0.00 0.00 36.38 36.13 1x65 s VAL 56 CO 0.00 -0.06 1.35 -2.16 -0.31 0.00 0.00 175.10 173.92 1x65 s PRO 57 N -0.34 4.35 1.08 4.82 0.04 -1.26 -4.48 135.00 139.21 1x65 s PRO 57 Ca -0.05 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 62.88 1x65 s PRO 57 Cb -0.03 -3.24 0.14 0.00 0.04 0.00 0.00 34.50 31.41 1x65 s PRO 57 CO 0.03 -0.37 0.46 -0.25 0.04 0.00 0.00 177.00 176.91 1x65 n ASP 58 N 3.61 -1.90 0.11 6.66 9.92 -1.26 -4.83 116.55 128.85 1x65 n ASP 58 Ca 0.10 0.01 -0.22 0.00 -0.53 0.00 0.00 54.79 54.14 1x65 n ASP 58 Cb 0.43 -1.14 -0.15 0.00 -0.64 0.00 0.00 41.12 39.62 1x65 n ASP 58 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 1x65 h MET 59 N -2.11 0.44 0.00 -1.24 2.86 -1.98 -3.27 114.93 109.63 1x65 h MET 59 Ca -0.53 -0.76 0.00 0.00 -2.06 0.00 0.00 59.70 56.36 1x65 h MET 59 Cb 1.33 0.28 0.00 0.00 0.06 0.00 0.00 31.60 33.27 1x65 h MET 59 CO 0.40 1.35 0.00 -0.11 1.06 0.00 0.00 176.91 179.62 1x65 n LEU 60 N -3.63 0.00 -2.64 1.22 0.00 -1.26 -4.71 117.00 105.97 1x65 n LEU 60 Ca -0.18 0.86 -0.05 0.00 0.00 0.00 0.00 56.01 56.64 1x65 n LEU 60 Cb 1.08 -0.36 0.08 0.00 0.00 0.00 0.00 43.42 44.23 1x65 n LEU 60 CO 0.56 -0.36 0.54 -1.20 0.00 0.00 0.00 177.39 176.94 1x65 n SER 61 N -1.90 -1.60 -4.39 1.96 7.64 -1.26 -4.99 113.62 109.08 1x65 n SER 61 Ca 0.00 -2.18 -0.37 0.00 1.01 0.00 0.00 58.87 57.34 1x65 n SER 61 Cb 0.00 0.94 -0.08 0.00 -1.01 0.00 0.00 64.21 64.06 1x65 n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x65 n ALA 62 N -0.67 -1.57 -0.34 -0.43 0.00 -1.23 -4.77 120.51 111.50 1x65 n ALA 62 Ca -0.11 -0.27 0.15 0.00 0.00 0.00 0.00 53.44 53.21 1x65 n ALA 62 Cb 0.79 -1.90 0.36 0.00 0.00 0.00 0.00 19.45 18.70 1x65 n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1x65 h GLN 63 N -1.34 0.67 -1.79 0.00 4.20 -1.94 -3.43 115.11 111.48 1x65 h GLN 63 Ca -0.62 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.06 1x65 h GLN 63 Cb 1.39 -0.15 -0.24 0.00 0.30 0.00 0.00 27.48 28.78 1x65 h GLN 63 CO 0.80 0.44 0.29 0.50 -0.67 0.00 0.00 178.83 180.19 1x65 s ARG 64 N -5.78 0.66 -0.29 1.46 6.06 -1.26 -5.11 118.95 114.69 1x65 s ARG 64 Ca -0.11 0.80 -0.12 0.00 -2.50 0.00 0.00 55.73 53.81 1x65 s ARG 64 Cb 0.25 0.31 -0.04 0.00 0.06 0.00 0.00 34.95 35.53 1x65 s ARG 64 CO 0.80 -0.08 0.22 0.54 -2.50 0.00 0.00 175.30 174.28 1x65 s ASN 65 N 0.37 6.06 0.25 -2.12 4.22 -1.26 -4.46 114.94 117.99 1x65 s ASN 65 Ca 0.01 -0.03 0.07 0.00 -2.14 0.00 0.00 52.86 50.77 1x65 s ASN 65 Cb -0.05 -2.13 -0.04 0.00 1.28 0.00 0.00 41.25 40.31 1x65 s ASN 65 CO -0.04 -0.09 0.20 -1.38 -2.04 0.00 0.00 177.10 173.75 1x65 s HIS 66 N 1.80 3.13 -0.37 1.54 -3.43 -1.26 -4.80 115.29 111.90 1x65 s HIS 66 Ca 0.08 -0.10 -0.16 0.00 -0.80 0.00 0.00 55.06 54.09 1x65 s HIS 66 Cb -0.16 -1.42 0.00 0.00 -1.43 0.00 0.00 32.58 29.57 1x65 s HIS 66 CO 0.11 0.52 0.36 0.00 -2.00 0.00 0.00 174.74 173.73 1x65 s ALA 67 N -2.10 3.48 0.40 -1.38 0.00 -1.26 -3.93 121.76 116.96 1x65 s ALA 67 Ca 0.33 -1.38 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 1x65 s ALA 67 Cb -0.08 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 1x65 s ALA 67 CO 0.25 -1.26 0.64 0.96 0.00 0.00 0.00 175.76 176.35 1x65 s ILE 68 N 1.98 4.96 -0.40 0.00 -4.36 -1.26 -4.61 121.20 117.51 1x65 s ILE 68 Ca 0.10 -0.23 -0.21 0.00 -0.26 0.00 0.00 60.65 60.05 1x65 s ILE 68 Cb -0.17 -3.84 0.03 0.00 1.25 0.00 0.00 42.46 39.73 1x65 s ILE 68 CO 0.12 -0.65 0.47 0.54 0.24 0.00 0.00 174.94 175.66 1x65 n ARG 69 N -1.97 -1.31 -2.88 0.37 1.74 -1.23 -3.94 116.66 107.44 1x65 n ARG 69 Ca -0.03 0.89 -0.42 0.00 -0.77 0.00 0.00 57.85 57.52 1x65 n ARG 69 Cb 0.56 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.49 1x65 n ARG 69 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1x65 s ILE 70 N -1.49 4.79 -0.08 0.55 1.01 0.17 -4.68 121.20 121.49 1x65 s ILE 70 Ca 0.20 1.49 -0.00 0.00 0.00 0.00 0.00 60.65 62.34 1x65 s ILE 70 Cb -0.02 -4.16 0.02 0.00 0.01 0.00 0.00 42.46 38.32 1x65 s ILE 70 CO 0.63 -0.16 -0.04 -0.75 0.00 0.00 0.00 174.94 174.63 1x65 s LYS 71 N 2.95 0.98 0.65 2.79 2.20 -1.15 -4.06 119.74 124.10 1x65 s LYS 71 Ca 0.35 -0.07 -0.17 0.00 -0.36 0.00 0.00 55.97 55.71 1x65 s LYS 71 Cb -0.15 -1.14 -0.02 0.00 -1.51 0.00 0.00 37.83 35.01 1x65 s LYS 71 CO 0.09 -0.22 1.04 1.17 -0.36 0.00 0.00 175.35 177.07 1x65 n LYS 72 N 4.75 0.83 -4.01 4.03 4.81 -1.26 -1.80 118.16 125.50 1x65 n LYS 72 Ca -0.14 0.33 -0.32 0.00 -0.87 0.00 0.00 58.31 57.32 1x65 n LYS 72 Cb 0.50 -2.27 -0.06 0.00 0.02 0.00 0.00 35.03 33.23 1x65 n LYS 72 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1x65 s LEU 73 N -2.90 4.05 0.55 3.14 1.43 -1.07 -4.79 118.68 119.09 1x65 s LEU 73 Ca 0.77 0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.84 1x65 s LEU 73 Cb -0.39 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 1x65 s LEU 73 CO 0.46 0.21 1.13 -2.16 0.23 0.00 0.00 176.35 176.22 1x65 s PRO 74 N -2.17 3.32 0.32 1.29 0.04 -1.26 -4.87 135.00 131.66 1x65 s PRO 74 Ca 0.29 1.60 -0.27 0.00 0.04 0.00 0.00 61.00 62.66 1x65 s PRO 74 Cb -0.12 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.28 1x65 s PRO 74 CO 0.21 -0.88 0.97 1.17 0.04 0.00 0.00 177.00 178.51 1x65 n LYS 75 N -1.38 1.28 -1.23 4.56 4.81 -1.26 -3.93 118.16 121.03 1x65 n LYS 75 Ca 0.12 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 1x65 n LYS 75 Cb 0.51 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.72 1x65 n LYS 75 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x65 n GLY 76 N 1.26 0.86 1.35 3.14 0.00 -1.26 -5.01 105.19 105.53 1x65 n GLY 76 Ca 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1x65 n GLY 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x65 n THR 77 N -1.20 0.00 -4.15 2.61 -1.04 -1.25 -5.13 114.28 104.11 1x65 n THR 77 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 1x65 n THR 77 Cb 0.41 -0.12 -0.08 0.00 -1.82 0.00 0.00 70.33 68.71 1x65 n THR 77 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1x65 s VAL 78 N -1.67 4.01 -0.24 12.58 1.01 -1.26 -5.12 120.40 129.71 1x65 s VAL 78 Ca 0.00 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 60.76 1x65 s VAL 78 Cb 0.00 -2.90 0.12 0.00 0.00 0.00 0.00 36.38 33.60 1x65 s VAL 78 CO 0.00 0.15 0.99 -0.94 0.00 0.00 0.00 175.10 175.29 1x65 s SER 79 N -2.23 -0.46 -0.17 3.32 1.04 -1.26 -5.07 113.70 108.88 1x65 s SER 79 Ca 0.25 0.77 0.04 0.00 0.48 0.00 0.00 55.95 57.49 1x65 s SER 79 Cb -0.12 0.74 0.13 0.00 0.10 0.00 0.00 66.02 66.88 1x65 s SER 79 CO 0.17 -0.23 0.92 2.22 0.98 0.00 0.00 173.24 177.30 1x65 n PHE 80 N 1.77 -0.72 -2.84 5.02 -1.74 -1.26 -5.00 117.46 112.69 1x65 n PHE 80 Ca -0.12 -0.67 -0.07 0.00 -0.56 0.00 0.00 57.45 56.03 1x65 n PHE 80 Cb 0.56 0.99 0.01 0.00 1.52 0.00 0.00 39.48 42.56 1x65 n PHE 80 CO 0.00 0.00 0.00 0.72 -0.56 0.00 0.00 176.76 176.92 1x65 n HIS 81 N -0.52 -3.57 -3.60 2.97 8.25 -1.26 -5.06 115.22 112.44 1x65 n HIS 81 Ca -0.10 1.48 -0.09 0.00 -0.26 0.00 0.00 57.72 58.74 1x65 n HIS 81 Cb 0.64 -3.96 -0.05 0.00 1.12 0.00 0.00 29.99 27.74 1x65 n HIS 81 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1x65 s SER 82 N -2.30 -0.35 -0.33 0.41 0.15 -1.26 -5.12 113.70 104.90 1x65 s SER 82 Ca 0.19 0.45 -0.29 0.00 0.70 0.00 0.00 55.95 57.00 1x65 s SER 82 Cb -0.05 0.38 -0.01 0.00 -1.71 0.00 0.00 66.02 64.63 1x65 s SER 82 CO 0.77 -0.27 1.67 -2.28 1.20 0.00 0.00 173.24 174.33 1x65 s HIS 83 N -0.82 2.00 0.02 3.44 2.46 -1.26 -4.99 115.29 116.15 1x65 s HIS 83 Ca 0.00 0.62 0.01 0.00 0.47 0.00 0.00 55.06 56.17 1x65 s HIS 83 Cb -0.01 -4.16 -0.04 0.00 -0.13 0.00 0.00 32.58 28.24 1x65 s HIS 83 CO -0.01 -2.71 0.04 -1.54 -2.47 0.00 0.00 174.74 168.05 1x65 s SER 84 N 5.24 5.39 0.00 9.88 1.04 -1.26 -5.01 113.70 128.97 1x65 s SER 84 Ca 0.74 0.03 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1x65 s SER 84 Cb -0.21 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 64.46 1x65 s SER 84 CO 0.33 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.40 1x65 n GLY 85 N 1.06 -1.71 3.72 7.32 0.00 -1.26 -4.90 105.19 109.41 1x65 n GLY 85 Ca -0.12 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1x65 n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x65 s PRO 86 N 0.00 4.35 0.00 1.61 0.04 -1.26 -4.91 135.00 134.83 1x65 s PRO 86 Ca 0.00 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1x65 s PRO 86 Cb 0.00 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1x65 s PRO 86 CO 0.00 -0.38 0.00 -1.13 0.04 0.00 0.00 177.00 175.53 1x65 n SER 87 N 3.69 0.77 0.21 6.66 3.41 -1.26 -5.06 113.62 122.04 1x65 n SER 87 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1x65 n SER 87 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1x65 n SER 87 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x65 n SER 88 N -2.77 -2.94 0.00 4.04 2.88 -1.26 -5.25 113.62 108.31 1x65 n SER 88 Ca 0.00 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 1x65 n SER 88 Cb 0.41 2.81 0.00 0.00 -0.75 0.00 0.00 64.21 66.68 1x65 n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42