#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 -9.17 -3.65 1.61 7.64 -1.26 -5.09 113.62 103.71 1x65 n SER 2 Ca 0.00 1.58 -0.01 0.00 1.01 0.00 0.00 58.87 61.45 1x65 n SER 2 Cb 0.00 -5.09 -0.06 0.00 -1.01 0.00 0.00 64.21 58.04 1x65 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x65 s SER 3 N -0.55 -0.22 -0.66 6.43 0.01 -1.26 -5.06 113.70 112.39 1x65 s SER 3 Ca 0.00 0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.64 1x65 s SER 3 Cb 0.00 0.93 0.38 0.00 0.21 0.00 0.00 66.02 67.54 1x65 s SER 3 CO 0.00 -0.06 1.60 0.61 0.41 0.00 0.00 173.24 175.80 1x65 n GLY 4 N 2.98 5.75 3.56 3.44 0.00 -1.26 -4.99 105.19 114.68 1x65 n GLY 4 Ca -0.16 -2.62 -0.37 0.00 0.00 0.00 0.00 46.02 42.87 1x65 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x65 s SER 5 N -2.22 5.80 0.31 1.61 0.01 -1.26 -5.09 113.70 112.86 1x65 s SER 5 Ca 0.50 -0.04 0.09 0.00 1.31 0.00 0.00 55.95 57.81 1x65 s SER 5 Cb 0.42 -2.06 -0.05 0.00 0.21 0.00 0.00 66.02 64.54 1x65 s SER 5 CO -0.31 -0.03 0.05 -0.44 0.41 0.00 0.00 173.24 172.92 1x65 s SER 6 N 1.61 4.46 0.00 2.44 0.01 -1.26 -4.95 113.70 116.01 1x65 s SER 6 Ca 0.07 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.53 1x65 s SER 6 Cb -0.15 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.37 1x65 s SER 6 CO 0.08 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.17 1x65 n GLY 7 N -0.99 0.49 3.36 3.44 0.00 -1.26 -5.16 105.19 105.07 1x65 n GLY 7 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 1.44 0.34 1.61 0.52 -1.26 -4.73 118.95 116.87 1x65 s ARG 8 Ca 0.00 -1.27 0.04 0.00 -0.52 0.00 0.00 55.73 53.99 1x65 s ARG 8 Cb 0.00 -1.84 -0.07 0.00 0.52 0.00 0.00 34.95 33.57 1x65 s ARG 8 CO 0.00 0.44 0.05 -1.21 0.02 0.00 0.00 175.30 174.60 1x65 s GLU 9 N -1.85 1.69 0.22 3.54 2.02 -1.10 -4.97 118.70 118.25 1x65 s GLU 9 Ca 0.12 -1.94 0.11 0.00 0.02 0.00 0.00 54.97 53.29 1x65 s GLU 9 Cb -0.10 -0.98 -0.05 0.00 0.10 0.00 0.00 34.13 33.10 1x65 s GLU 9 CO 0.05 -0.16 -0.20 -1.64 0.02 0.00 0.00 175.26 173.33 1x65 s MET 10 N -3.86 1.67 0.20 1.61 -1.94 -1.26 -2.84 119.30 112.87 1x65 s MET 10 Ca 0.36 -1.56 -0.23 0.00 -1.71 0.00 0.00 55.69 52.55 1x65 s MET 10 Cb 0.09 -1.88 0.05 0.00 2.01 0.00 0.00 34.83 35.10 1x65 s MET 10 CO 0.16 0.38 0.73 0.20 -0.01 0.00 0.00 175.02 176.48 1x65 s GLY 11 N -3.00 -0.32 -0.11 -0.03 0.00 -1.13 -4.25 107.32 98.48 1x65 s GLY 11 Ca 0.25 0.15 -0.05 0.00 0.00 0.00 0.00 44.72 45.07 1x65 s GLY 11 CO 0.13 0.05 0.07 -1.34 0.00 0.00 0.00 173.10 172.00 1x65 s VAL 12 N -3.70 4.92 -0.66 1.40 -7.23 -0.32 -2.28 120.40 112.52 1x65 s VAL 12 Ca 0.07 -0.01 -0.26 0.00 -1.81 0.00 0.00 61.98 59.96 1x65 s VAL 12 Cb -0.03 -3.11 -0.01 0.00 0.56 0.00 0.00 36.38 33.79 1x65 s VAL 12 CO -0.02 0.61 1.72 -0.63 -0.31 0.00 0.00 175.10 176.47 1x65 s ILE 13 N -0.91 3.45 0.45 -0.62 -1.09 -1.26 0.23 121.20 121.47 1x65 s ILE 13 Ca 0.14 0.21 0.23 0.00 -2.23 0.00 0.00 60.65 58.99 1x65 s ILE 13 Cb -0.12 -4.20 0.26 0.00 -1.58 0.00 0.00 42.46 36.83 1x65 s ILE 13 CO 0.03 -1.16 2.07 0.00 -1.23 0.00 0.00 174.94 174.66 1x65 h ALA 14 N 13.52 1.47 -1.52 9.38 0.00 -1.52 -1.70 119.26 138.90 1x65 h ALA 14 Ca -0.24 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 54.78 1x65 h ALA 14 Cb 1.13 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.69 1x65 h ALA 14 CO 1.24 0.15 0.76 0.00 0.00 0.00 0.00 179.25 181.40 1x65 s ALA 15 N -4.43 -2.03 -0.49 0.00 0.00 -1.23 -4.94 121.76 108.65 1x65 s ALA 15 Ca -0.04 1.58 0.07 0.00 0.00 0.00 0.00 51.96 53.57 1x65 s ALA 15 Cb 0.14 -0.32 0.18 0.00 0.00 0.00 0.00 23.12 23.13 1x65 s ALA 15 CO 0.62 -0.52 0.65 0.00 0.00 0.00 0.00 175.76 176.51 1x65 s MET 16 N -2.14 1.01 0.23 0.00 0.23 -1.26 0.64 119.30 118.01 1x65 s MET 16 Ca 0.07 -1.12 -0.03 0.00 -1.03 0.00 0.00 55.69 53.59 1x65 s MET 16 Cb -0.01 -0.25 -0.05 0.00 -1.53 0.00 0.00 34.83 32.99 1x65 s MET 16 CO -0.05 -1.32 0.46 1.03 -2.03 0.00 0.00 175.02 173.11 1x65 s ARG 17 N 0.89 3.58 -0.67 3.16 3.00 -0.28 -4.94 118.95 123.69 1x65 s ARG 17 Ca 0.28 -0.17 -0.36 0.00 0.00 0.00 0.00 55.73 55.48 1x65 s ARG 17 Cb -0.01 -2.76 -0.18 0.00 0.00 0.00 0.00 34.95 32.01 1x65 s ARG 17 CO -0.07 0.33 2.39 -0.25 0.00 0.00 0.00 175.30 177.69 1x65 n ASP 18 N -0.70 0.90 0.00 0.23 9.92 -1.26 -1.20 116.55 124.44 1x65 n ASP 18 Ca -0.03 0.36 0.00 0.00 -0.53 0.00 0.00 54.79 54.59 1x65 n ASP 18 Cb 0.54 -1.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 1x65 n ASP 18 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x65 n GLY 19 N 6.86 3.35 0.85 0.44 0.00 -1.26 -5.08 105.19 110.35 1x65 n GLY 19 Ca 0.56 -0.73 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 1x65 n GLY 19 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1x65 n PHE 20 N 0.00 -0.95 -2.10 1.61 -1.74 -0.34 -4.17 117.46 109.77 1x65 n PHE 20 Ca 0.00 -0.52 0.00 0.00 -0.56 0.00 0.00 57.45 56.37 1x65 n PHE 20 Cb 0.00 0.17 0.00 0.00 1.52 0.00 0.00 39.48 41.17 1x65 n PHE 20 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1x65 n GLY 21 N -0.13 3.61 3.31 4.97 0.00 -1.16 -1.13 105.19 114.65 1x65 n GLY 21 Ca -0.01 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.20 -0.27 -0.16 1.61 0.08 0.21 -3.71 117.98 113.54 1x65 s PHE 22 Ca 0.00 0.37 -0.04 0.00 0.12 0.00 0.00 56.93 57.38 1x65 s PHE 22 Cb 0.00 0.18 0.05 0.00 -0.57 0.00 0.00 43.02 42.69 1x65 s PHE 22 CO 0.00 -0.49 0.06 0.42 -0.10 0.00 0.00 175.22 175.11 1x65 s ILE 23 N -1.74 0.16 0.12 0.64 1.01 -1.22 -1.25 121.20 118.92 1x65 s ILE 23 Ca -0.10 -0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.11 1x65 s ILE 23 Cb -0.03 -0.68 -0.07 0.00 0.01 0.00 0.00 42.46 41.69 1x65 s ILE 23 CO 0.03 -0.16 0.69 -0.75 0.00 0.00 0.00 174.94 174.75 1x65 s LYS 24 N 2.03 4.42 0.60 2.79 2.20 0.14 -1.01 119.74 130.90 1x65 s LYS 24 Ca 0.02 0.98 -0.13 0.00 -0.36 0.00 0.00 55.97 56.48 1x65 s LYS 24 Cb -0.16 -3.26 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 1x65 s LYS 24 CO -0.08 0.57 1.02 0.00 -0.36 0.00 0.00 175.35 176.51 1x65 h VAL 26 N 0.00 1.22 0.00 0.00 2.07 -1.98 -3.36 116.25 114.21 1x65 h VAL 26 Ca -0.45 -0.73 -0.38 0.00 0.82 0.00 0.00 66.70 65.96 1x65 h VAL 26 Cb 1.19 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 32.10 1x65 h VAL 26 CO 0.62 0.24 -2.40 -0.67 0.02 0.00 0.00 177.57 175.38 1x65 n ASP 27 N -4.69 2.06 -4.78 0.57 2.03 -1.26 -4.99 116.55 105.48 1x65 n ASP 27 Ca -0.03 -0.05 -0.32 0.00 0.52 0.00 0.00 54.79 54.92 1x65 n ASP 27 Cb 0.19 -0.45 0.06 0.00 -0.72 0.00 0.00 41.12 40.20 1x65 n ASP 27 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1x65 s ARG 28 N -2.48 2.64 -0.40 -0.67 1.81 -1.26 -4.98 118.95 113.60 1x65 s ARG 28 Ca -0.33 1.17 0.05 0.00 -1.72 0.00 0.00 55.73 54.90 1x65 s ARG 28 Cb 0.09 -1.94 0.44 0.00 -0.45 0.00 0.00 34.95 33.10 1x65 s ARG 28 CO 0.54 -1.35 1.31 -0.25 -0.68 0.00 0.00 175.30 174.87 1x65 n ASP 29 N -3.04 5.32 -4.30 0.23 9.92 -1.26 -3.74 116.55 119.68 1x65 n ASP 29 Ca 0.09 -3.75 -0.27 0.00 -0.53 0.00 0.00 54.79 50.33 1x65 n ASP 29 Cb 0.53 -0.48 -0.14 0.00 -0.64 0.00 0.00 41.12 40.39 1x65 n ASP 29 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1x65 s VAL 30 N -4.88 1.89 -0.21 2.53 -7.23 -1.26 -5.01 120.40 106.24 1x65 s VAL 30 Ca 0.52 -1.42 -0.11 0.00 -1.81 0.00 0.00 61.98 59.16 1x65 s VAL 30 Cb 0.42 -1.66 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 1x65 s VAL 30 CO -0.04 0.16 0.19 0.00 -0.31 0.00 0.00 175.10 175.10 1x65 s ARG 31 N -1.51 4.16 -0.97 4.82 3.03 -1.26 -3.47 118.95 123.75 1x65 s ARG 31 Ca 0.09 -0.15 -0.13 0.00 2.03 0.00 0.00 55.73 57.57 1x65 s ARG 31 Cb -0.10 -3.47 0.22 0.00 -1.03 0.00 0.00 34.95 30.57 1x65 s ARG 31 CO 0.03 0.18 1.00 1.41 -1.13 0.00 0.00 175.30 176.80 1x65 s MET 32 N 0.69 3.83 -0.02 3.89 1.75 -0.18 -4.75 119.30 124.52 1x65 s MET 32 Ca 0.10 -2.57 -0.33 0.00 -1.25 0.00 0.00 55.69 51.64 1x65 s MET 32 Cb -0.12 -4.62 -0.11 0.00 2.84 0.00 0.00 34.83 32.81 1x65 s MET 32 CO 0.02 -1.41 1.89 1.97 -0.65 0.00 0.00 175.02 176.84 1x65 n PHE 33 N 4.25 2.41 -4.51 4.11 -1.74 -1.26 -3.37 117.46 117.34 1x65 n PHE 33 Ca 0.21 -0.12 -0.27 0.00 -0.56 0.00 0.00 57.45 56.71 1x65 n PHE 33 Cb 0.45 -2.71 -0.10 0.00 1.52 0.00 0.00 39.48 38.64 1x65 n PHE 33 CO 0.00 0.00 0.00 -0.59 -0.56 0.00 0.00 176.76 175.61 1x65 s PHE 34 N 3.92 2.52 0.16 2.97 -0.71 -1.24 -4.82 117.98 120.78 1x65 s PHE 34 Ca 0.90 -0.61 0.04 0.00 -1.04 0.00 0.00 56.93 56.22 1x65 s PHE 34 Cb -0.59 -1.72 -0.04 0.00 -1.21 0.00 0.00 43.02 39.46 1x65 s PHE 34 CO 0.47 0.43 0.18 -1.01 -1.34 0.00 0.00 175.22 173.96 1x65 s HIS 35 N -2.66 3.25 -0.02 3.49 3.76 -1.26 -2.99 115.29 118.85 1x65 s HIS 35 Ca 0.35 0.02 -0.02 0.00 -0.15 0.00 0.00 55.06 55.26 1x65 s HIS 35 Cb 0.07 -1.55 -0.06 0.00 1.11 0.00 0.00 32.58 32.14 1x65 s HIS 35 CO 0.19 0.52 2.47 1.19 -0.85 0.00 0.00 174.74 178.25 1x65 n PHE 36 N -0.45 0.10 0.00 1.40 3.72 -1.26 -3.29 117.46 117.68 1x65 n PHE 36 Ca -0.08 -1.20 0.00 0.00 -0.05 0.00 0.00 57.45 56.12 1x65 n PHE 36 Cb 0.55 -0.85 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 1x65 n PHE 36 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1x65 n SER 37 N 1.71 3.81 -0.01 4.37 7.64 -1.26 -4.67 113.62 125.21 1x65 n SER 37 Ca 0.14 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.16 1x65 n SER 37 Cb 0.62 0.60 0.50 0.00 -1.01 0.00 0.00 64.21 64.92 1x65 n SER 37 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x65 n GLU 38 N -1.35 0.07 0.00 1.43 -0.58 -1.21 -3.48 120.64 115.52 1x65 n GLU 38 Ca 0.00 -0.02 0.10 0.00 -0.42 0.00 0.00 57.16 56.82 1x65 n GLU 38 Cb 0.16 -1.50 0.61 0.00 -0.57 0.00 0.00 31.44 30.14 1x65 n GLU 38 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1x65 n ILE 39 N -1.44 0.00 0.32 -3.67 5.41 -1.26 -0.89 119.36 117.82 1x65 n ILE 39 Ca 0.07 0.00 0.15 0.00 1.00 0.00 0.00 62.75 63.98 1x65 n ILE 39 Cb 0.33 -0.64 0.79 0.00 -0.71 0.00 0.00 39.64 39.40 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 -1.24 1.39 8.10 -1.83 -0.94 115.31 120.78 1x65 h LEU 40 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1x65 h LEU 40 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1x65 h LEU 40 CO 0.00 0.00 0.42 -0.78 -4.11 0.00 0.00 178.44 173.97 1x65 h ASP 41 N 0.00 0.00 -2.23 0.17 1.82 -1.70 -3.45 116.42 111.03 1x65 h ASP 41 Ca 0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1x65 h ASP 41 Cb 0.75 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.76 1x65 h ASP 41 CO -0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1x65 n GLY 42 N -1.28 -2.15 0.00 -0.78 0.00 -0.36 -5.00 105.19 95.62 1x65 n GLY 42 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.60 1.61 3.02 -1.26 -4.86 115.26 109.17 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 3.30 0.84 3.52 -0.21 -1.26 -4.90 119.66 120.95 1x65 s GLN 44 Ca 0.00 1.54 -0.11 0.00 0.02 0.00 0.00 55.36 56.80 1x65 s GLN 44 Cb 0.00 -4.23 0.09 0.00 1.00 0.00 0.00 33.01 29.88 1x65 s GLN 44 CO 0.00 -1.89 1.09 -0.51 -2.12 0.00 0.00 175.29 171.86 1x65 s LEU 45 N 7.12 2.51 -0.10 2.90 2.01 -1.26 -5.08 118.68 126.78 1x65 s LEU 45 Ca 0.83 1.46 -0.30 0.00 0.01 0.00 0.00 54.13 56.13 1x65 s LEU 45 Cb -0.24 -4.00 0.12 0.00 0.01 0.00 0.00 46.19 42.07 1x65 s LEU 45 CO 0.34 -2.27 0.96 -2.28 1.01 0.00 0.00 176.35 174.11 1x65 s HIS 46 N -3.02 -0.36 -0.36 0.29 2.46 -1.26 -5.10 115.29 107.95 1x65 s HIS 46 Ca 0.62 0.45 -0.35 0.00 0.47 0.00 0.00 55.06 56.25 1x65 s HIS 46 Cb -0.16 0.49 -0.15 0.00 -0.13 0.00 0.00 32.58 32.62 1x65 s HIS 46 CO 0.56 -0.42 1.19 -0.89 -2.47 0.00 0.00 174.74 172.70 1x65 n ILE 47 N 0.30 0.00 -3.28 0.89 2.08 -1.26 -2.35 119.36 115.74 1x65 n ILE 47 Ca -0.09 0.00 -0.24 0.00 0.56 0.00 0.00 62.75 62.98 1x65 n ILE 47 Cb 0.59 -0.36 0.02 0.00 -0.75 0.00 0.00 39.64 39.15 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 2.93 -2.44 -0.09 -1.39 0.00 -0.64 -4.86 120.51 114.03 1x65 n ALA 48 Ca 0.23 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1x65 n ALA 48 Cb -0.04 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.32 1x65 n ALA 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x65 n ASP 49 N 0.15 1.18 -2.41 0.00 8.00 -0.99 -4.84 116.55 117.65 1x65 n ASP 49 Ca -0.03 -1.27 -0.01 0.00 0.71 0.00 0.00 54.79 54.19 1x65 n ASP 49 Cb 0.57 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.65 1x65 n ASP 49 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x65 n GLU 50 N -0.13 -3.73 -4.36 -1.24 1.02 -1.23 -4.33 120.64 106.63 1x65 n GLU 50 Ca 0.00 2.75 -0.19 0.00 -0.02 0.00 0.00 57.16 59.70 1x65 n GLU 50 Cb 0.09 -3.64 -0.10 0.00 -0.02 0.00 0.00 31.44 27.77 1x65 n GLU 50 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1x65 s VAL 51 N -0.44 1.80 -0.13 2.62 -7.23 -0.96 -1.60 120.40 114.45 1x65 s VAL 51 Ca -0.07 -2.23 0.02 0.00 -1.81 0.00 0.00 61.98 57.90 1x65 s VAL 51 Cb 0.00 -2.08 -0.00 0.00 0.56 0.00 0.00 36.38 34.87 1x65 s VAL 51 CO 0.18 -0.57 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.51 1x65 s GLU 52 N -3.64 3.15 0.11 4.82 2.12 0.12 -2.86 118.70 122.53 1x65 s GLU 52 Ca 0.23 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.78 1x65 s GLU 52 Cb -0.01 -2.49 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 1x65 s GLU 52 CO 0.08 0.09 -0.04 -0.59 -0.54 0.00 0.00 175.26 174.25 1x65 s PHE 53 N 0.61 0.91 -0.12 5.30 -0.12 -1.13 -2.97 117.98 120.46 1x65 s PHE 53 Ca -0.10 -0.98 -0.18 0.00 -0.05 0.00 0.00 56.93 55.62 1x65 s PHE 53 Cb -0.16 -0.54 -0.26 0.00 -0.63 0.00 0.00 43.02 41.43 1x65 s PHE 53 CO 0.03 -0.21 0.54 1.15 -0.05 0.00 0.00 175.22 176.68 1x65 h THR 54 N 2.92 1.10 -4.47 -4.49 2.02 -1.85 -2.92 112.91 105.22 1x65 h THR 54 Ca -0.35 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.46 1x65 h THR 54 Cb 1.17 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 70.31 1x65 h THR 54 CO 0.64 0.64 -0.98 0.52 0.37 0.00 0.00 175.52 176.72 1x65 n VAL 55 N -4.06-13.86 -3.96 3.16 0.31 -1.25 -4.67 118.33 93.99 1x65 n VAL 55 Ca -0.24 3.47 -0.11 0.00 -0.01 0.00 0.00 64.34 67.45 1x65 n VAL 55 Cb 0.83 -5.74 -0.13 0.00 -0.91 0.00 0.00 33.84 27.89 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 -0.54 0.14 -2.00 2.52 -7.23 -1.18 -4.96 120.40 107.15 1x65 s VAL 56 Ca 0.00 -0.49 0.14 0.00 -1.81 0.00 0.00 61.98 59.82 1x65 s VAL 56 Cb 0.00 -0.20 0.40 0.00 0.56 0.00 0.00 36.38 37.14 1x65 s VAL 56 CO 0.00 -0.23 1.26 -0.81 -0.31 0.00 0.00 175.10 175.01 1x65 n PRO 57 N 2.32 0.48 -1.27 4.82 -0.04 -1.26 -3.46 135.00 136.59 1x65 n PRO 57 Ca -0.18 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.45 1x65 n PRO 57 Cb 0.57 -1.45 -0.05 0.00 -0.04 0.00 0.00 33.50 32.53 1x65 n PRO 57 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x65 n ASP 58 N -0.95 -7.59 -0.06 3.54 9.92 -1.25 -4.19 116.55 115.97 1x65 n ASP 58 Ca 0.11 0.74 -0.09 0.00 -0.53 0.00 0.00 54.79 55.02 1x65 n ASP 58 Cb 0.05 -4.00 -0.05 0.00 -0.64 0.00 0.00 41.12 36.48 1x65 n ASP 58 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1x65 n MET 59 N -3.99 0.29 0.09 -1.24 2.81 -1.26 -4.74 117.12 109.08 1x65 n MET 59 Ca -0.02 0.07 -0.14 0.00 -1.81 0.00 0.00 57.70 55.81 1x65 n MET 59 Cb 0.59 -1.20 -0.09 0.00 -0.71 0.00 0.00 33.22 31.81 1x65 n MET 59 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1x65 h LEU 60 N -0.05 -1.39 -8.70 4.03 3.38 -2.00 -3.40 115.31 107.17 1x65 h LEU 60 Ca -0.27 0.15 -0.65 0.00 0.09 0.00 0.00 57.88 57.20 1x65 h LEU 60 Cb 1.39 0.52 -0.24 0.00 0.09 0.00 0.00 40.66 42.41 1x65 h LEU 60 CO -0.06 -0.48 -0.72 -0.55 0.09 0.00 0.00 178.44 176.73 1x65 s SER 61 N -4.36 4.39 0.18 -0.43 0.15 -1.26 -5.01 113.70 107.35 1x65 s SER 61 Ca -0.14 -0.24 -0.13 0.00 0.70 0.00 0.00 55.95 56.14 1x65 s SER 61 Cb 0.05 -1.70 0.15 0.00 -1.71 0.00 0.00 66.02 62.82 1x65 s SER 61 CO 0.52 0.15 1.77 0.00 1.20 0.00 0.00 173.24 176.88 1x65 h ALA 62 N 6.80 0.63 -2.11 5.45 0.00 -1.81 -3.35 119.26 124.87 1x65 h ALA 62 Ca -0.29 0.04 -0.76 0.00 0.00 0.00 0.00 54.91 53.90 1x65 h ALA 62 Cb 1.20 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.73 1x65 h ALA 62 CO 0.59 -0.15 -0.17 -1.14 0.00 0.00 0.00 179.25 178.38 1x65 s GLN 63 N -6.13 3.03 0.00 0.00 2.00 -1.26 -4.85 119.66 112.45 1x65 s GLN 63 Ca -0.13 -1.72 0.00 0.00 -2.00 0.00 0.00 55.36 51.51 1x65 s GLN 63 Cb 0.14 -4.31 0.00 0.00 0.80 0.00 0.00 33.01 29.64 1x65 s GLN 63 CO 0.73 -1.35 0.00 -2.13 -0.50 0.00 0.00 175.29 172.04 1x65 n ARG 64 N 5.28 0.00 -3.87 1.67 0.63 -1.26 -5.12 116.66 114.00 1x65 n ARG 64 Ca -0.12 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.46 1x65 n ARG 64 Cb 0.41 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.21 1x65 n ARG 64 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1x65 s ASN 65 N 0.00 5.54 0.03 6.15 4.22 -1.26 -3.87 114.94 125.74 1x65 s ASN 65 Ca 0.00 -0.02 0.00 0.00 -2.14 0.00 0.00 52.86 50.70 1x65 s ASN 65 Cb 0.00 -1.97 -0.02 0.00 1.28 0.00 0.00 41.25 40.53 1x65 s ASN 65 CO 0.00 0.08 -0.04 -1.38 -2.04 0.00 0.00 177.10 173.72 1x65 s HIS 66 N 0.96 0.34 -0.07 1.54 -3.43 -1.22 -4.96 115.29 108.44 1x65 s HIS 66 Ca 0.05 -0.55 -0.24 0.00 -0.80 0.00 0.00 55.06 53.51 1x65 s HIS 66 Cb -0.14 -0.23 -0.03 0.00 -1.43 0.00 0.00 32.58 30.74 1x65 s HIS 66 CO 0.03 -0.18 0.73 0.00 -2.00 0.00 0.00 174.74 173.32 1x65 s ALA 67 N -1.59 3.33 0.32 -1.38 0.00 -1.26 -3.09 121.76 118.09 1x65 s ALA 67 Ca -0.14 0.16 0.09 0.00 0.00 0.00 0.00 51.96 52.07 1x65 s ALA 67 Cb -0.09 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1x65 s ALA 67 CO -0.01 -0.16 0.07 0.96 0.00 0.00 0.00 175.76 176.62 1x65 s ILE 68 N 0.92 3.09 -1.03 0.00 -4.36 -1.26 -4.77 121.20 113.80 1x65 s ILE 68 Ca 0.39 -1.81 -0.18 0.00 -0.26 0.00 0.00 60.65 58.79 1x65 s ILE 68 Cb -0.18 -2.91 0.02 0.00 1.25 0.00 0.00 42.46 40.65 1x65 s ILE 68 CO 0.18 -0.25 0.65 0.54 0.24 0.00 0.00 174.94 176.31 1x65 n ARG 69 N -1.03 -0.88 -2.12 0.37 5.12 -1.25 -3.95 116.66 112.91 1x65 n ARG 69 Ca -0.04 0.42 -0.42 0.00 -1.93 0.00 0.00 57.85 55.87 1x65 n ARG 69 Cb 0.61 -2.48 -0.03 0.00 -1.16 0.00 0.00 32.46 29.40 1x65 n ARG 69 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1x65 s ILE 70 N -3.27 3.70 -0.06 0.55 1.01 -0.07 -4.71 121.20 118.36 1x65 s ILE 70 Ca 0.26 0.91 0.02 0.00 0.00 0.00 0.00 60.65 61.84 1x65 s ILE 70 Cb -0.14 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.76 1x65 s ILE 70 CO 0.93 -0.06 -0.10 -0.75 0.00 0.00 0.00 174.94 174.96 1x65 s LYS 71 N 3.57 1.45 0.29 2.79 2.36 -1.16 -4.06 119.74 124.98 1x65 s LYS 71 Ca 0.68 -0.32 -0.29 0.00 -2.55 0.00 0.00 55.97 53.49 1x65 s LYS 71 Cb -0.31 -1.25 -0.10 0.00 -1.05 0.00 0.00 37.83 35.12 1x65 s LYS 71 CO 0.26 -0.01 1.12 0.21 1.55 0.00 0.00 175.35 178.48 1x65 s LYS 72 N 0.76 4.60 -0.02 4.03 2.20 -1.26 -0.70 119.74 129.35 1x65 s LYS 72 Ca -0.13 1.85 -0.00 0.00 -0.36 0.00 0.00 55.97 57.33 1x65 s LYS 72 Cb -0.15 -3.17 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1x65 s LYS 72 CO 0.02 0.16 0.04 -0.51 -0.36 0.00 0.00 175.35 174.71 1x65 s LEU 73 N -1.50 3.73 0.99 5.43 1.43 -0.62 -4.89 118.68 123.24 1x65 s LEU 73 Ca 0.45 0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.53 1x65 s LEU 73 Cb -0.33 -2.11 0.18 0.00 0.03 0.00 0.00 46.19 43.97 1x65 s LEU 73 CO 0.42 0.29 1.09 -2.16 0.23 0.00 0.00 176.35 176.23 1x65 s PRO 74 N -1.54 0.52 0.70 1.29 0.04 -1.26 -4.84 135.00 129.90 1x65 s PRO 74 Ca 0.20 0.56 -0.14 0.00 0.04 0.00 0.00 61.00 61.66 1x65 s PRO 74 Cb -0.12 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.70 1x65 s PRO 74 CO 0.11 -2.68 1.13 0.15 0.04 0.00 0.00 177.00 175.75 1x65 s LYS 75 N -4.96 2.51 -0.41 4.56 3.01 -1.26 -4.19 119.74 119.00 1x65 s LYS 75 Ca 0.65 1.47 -0.01 0.00 -1.01 0.00 0.00 55.97 57.07 1x65 s LYS 75 Cb -0.19 -1.91 -0.01 0.00 -1.01 0.00 0.00 37.83 34.71 1x65 s LYS 75 CO 0.58 -1.49 0.35 0.41 0.51 0.00 0.00 175.35 175.71 1x65 n GLY 76 N -0.32 0.15 1.79 -3.33 0.00 -1.26 -4.92 105.19 97.29 1x65 n GLY 76 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.15 0.00 -3.11 2.61 -1.04 -1.26 -5.14 114.28 104.19 1x65 n THR 77 Ca -0.06 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.68 1x65 n THR 77 Cb 0.55 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.05 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 -2.00 5.00 0.00 12.58 1.01 -1.26 -5.09 120.40 130.64 1x65 s VAL 78 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1x65 s VAL 78 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1x65 s VAL 78 CO 0.00 -0.58 0.00 -0.24 0.00 0.00 0.00 175.10 174.28 1x65 n SER 79 N -1.66 0.00 -2.37 3.32 2.88 -1.26 -4.89 113.62 109.64 1x65 n SER 79 Ca -0.02 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.52 1x65 n SER 79 Cb 0.55 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.00 1x65 n SER 79 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1x65 n PHE 80 N -0.52 -4.79 -3.60 0.66 3.01 -1.26 -4.94 117.46 106.01 1x65 n PHE 80 Ca 0.00 2.85 -0.40 0.00 1.01 0.00 0.00 57.45 60.91 1x65 n PHE 80 Cb 0.00 -3.86 -0.09 0.00 -0.01 0.00 0.00 39.48 35.52 1x65 n PHE 80 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1x65 s HIS 81 N -0.61 3.47 -0.27 1.38 2.46 -1.26 -5.04 115.29 115.42 1x65 s HIS 81 Ca -0.03 -2.06 -0.35 0.00 0.47 0.00 0.00 55.06 53.09 1x65 s HIS 81 Cb 0.00 -3.44 -0.11 0.00 -0.13 0.00 0.00 32.58 28.90 1x65 s HIS 81 CO 0.09 -0.98 2.07 0.45 -2.47 0.00 0.00 174.74 173.90 1x65 n SER 82 N 4.68 2.59 -4.74 9.88 2.88 -1.26 -4.88 113.62 122.78 1x65 n SER 82 Ca -0.04 0.60 -0.42 0.00 -1.33 0.00 0.00 58.87 57.68 1x65 n SER 82 Cb 0.41 -1.30 -0.02 0.00 -0.75 0.00 0.00 64.21 62.54 1x65 n SER 82 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1x65 s HIS 83 N 6.21 3.00 0.15 0.66 2.46 -1.26 -4.50 115.29 122.02 1x65 s HIS 83 Ca 1.03 0.87 0.00 0.00 0.47 0.00 0.00 55.06 57.43 1x65 s HIS 83 Cb -0.79 -3.88 0.00 0.00 -0.13 0.00 0.00 32.58 27.78 1x65 s HIS 83 CO 0.50 -3.02 0.00 0.45 -2.47 0.00 0.00 174.74 170.20 1x65 n SER 84 N 2.87 -9.20 -4.79 9.88 2.88 -1.26 -4.93 113.62 109.06 1x65 n SER 84 Ca 0.09 1.57 -0.35 0.00 -1.33 0.00 0.00 58.87 58.85 1x65 n SER 84 Cb 0.39 -5.18 -0.05 0.00 -0.75 0.00 0.00 64.21 58.63 1x65 n SER 84 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x65 s GLY 85 N -0.55 2.63 0.60 0.46 0.00 -1.26 -5.03 107.32 104.18 1x65 s GLY 85 Ca 0.00 0.62 -0.17 0.00 0.00 0.00 0.00 44.72 45.17 1x65 s GLY 85 CO 0.00 1.00 1.12 2.56 0.00 0.00 0.00 173.10 177.77 1x65 s PRO 86 N -2.74 3.06 -0.36 2.90 0.04 -1.26 -5.04 135.00 131.60 1x65 s PRO 86 Ca 0.60 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1x65 s PRO 86 Cb -0.18 -1.98 0.13 0.00 0.04 0.00 0.00 34.50 32.51 1x65 s PRO 86 CO 0.23 -1.06 0.20 -1.54 0.04 0.00 0.00 177.00 174.87 1x65 s SER 87 N -2.21 3.22 0.06 6.66 1.04 -1.26 -4.95 113.70 116.26 1x65 s SER 87 Ca 0.70 -2.16 0.00 0.00 0.48 0.00 0.00 55.95 54.97 1x65 s SER 87 Cb -0.22 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.35 1x65 s SER 87 CO 0.35 -0.32 0.00 -1.54 0.98 0.00 0.00 173.24 172.71 1x65 n SER 88 N 4.10 0.38 0.00 7.02 3.41 -1.26 -5.36 113.62 121.91 1x65 n SER 88 Ca 0.09 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1x65 n SER 88 Cb 0.37 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1x65 n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49