#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4h s VAL 3 N 0.00 1.51 -0.03 1.39 1.01 0.24 -5.00 120.40 119.52 1h4h s VAL 3 Ca 0.00 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.37 1h4h s VAL 3 Cb 0.00 -1.37 0.07 0.00 0.00 0.00 0.00 36.38 35.08 1h4h s VAL 3 CO 0.00 0.44 0.92 0.35 0.00 0.00 0.00 175.10 176.81 1h4h n THR 4 N 4.08 0.65 -3.95 3.92 -2.24 -1.26 -0.99 114.28 114.50 1h4h n THR 4 Ca -0.20 -0.74 -0.09 0.00 -2.27 0.00 0.00 64.05 60.75 1h4h n THR 4 Cb 0.51 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 1h4h n THR 4 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1h4h s ASP 5 N -1.22 0.03 -0.01 3.42 -4.77 -1.26 -4.63 116.67 108.22 1h4h s ASP 5 Ca 0.08 -0.97 -0.37 0.00 -3.30 0.00 0.00 52.55 47.99 1h4h s ASP 5 Cb 0.07 0.68 -0.16 0.00 -1.09 0.00 0.00 42.92 42.42 1h4h s ASP 5 CO 0.01 -1.31 1.49 0.59 0.70 0.00 0.00 175.17 176.65 1h4h n ASN 6 N -0.72 2.04 -3.63 2.11 3.02 -1.26 -4.78 115.26 112.03 1h4h n ASN 6 Ca -0.03 1.10 -0.11 0.00 -0.03 0.00 0.00 54.58 55.51 1h4h n ASN 6 Cb 0.61 -1.20 -0.07 0.00 -0.61 0.00 0.00 39.78 38.50 1h4h n ASN 6 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1h4h s SER 7 N 1.47 -0.55 -0.07 6.41 0.15 -0.61 -4.97 113.70 115.54 1h4h s SER 7 Ca 0.88 1.03 0.00 0.00 0.70 0.00 0.00 55.95 58.57 1h4h s SER 7 Cb -0.95 1.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.42 1h4h s SER 7 CO 0.51 -0.20 -0.05 -0.63 1.20 0.00 0.00 173.24 174.07 1h4h s ILE 8 N 0.19 0.66 0.00 6.45 1.01 -1.26 -0.71 121.20 127.53 1h4h s ILE 8 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1h4h s ILE 8 Cb -0.05 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.72 1h4h s ILE 8 CO -0.03 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1h4h n GLY 9 N 4.44 3.17 3.12 6.18 0.00 -0.99 -5.02 105.19 116.08 1h4h n GLY 9 Ca -0.18 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.74 1h4h n GLY 9 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h4h s ASN 10 N 1.86 2.37 -0.10 1.61 3.84 -1.26 -0.60 114.94 122.66 1h4h s ASN 10 Ca 0.00 -0.41 -0.02 0.00 0.21 0.00 0.00 52.86 52.64 1h4h s ASN 10 Cb 0.00 -1.03 0.04 0.00 -0.55 0.00 0.00 41.25 39.70 1h4h s ASN 10 CO 0.00 0.10 0.03 -2.28 -2.79 0.00 0.00 177.10 172.16 1h4h s HIS 11 N 0.45 0.61 -1.45 0.43 5.65 0.16 -4.83 115.29 116.31 1h4h s HIS 11 Ca -0.15 -0.27 -0.08 0.00 0.25 0.00 0.00 55.06 54.82 1h4h s HIS 11 Cb -0.16 -0.79 0.02 0.00 -1.18 0.00 0.00 32.58 30.46 1h4h s HIS 11 CO 0.06 -0.39 0.93 -3.47 -0.65 0.00 0.00 174.74 171.22 1h4h n ASP 12 N 5.16 -6.08 0.00 9.88 2.03 -1.26 -2.42 116.55 123.86 1h4h n ASP 12 Ca -0.07 -0.46 0.00 0.00 0.52 0.00 0.00 54.79 54.78 1h4h n ASP 12 Cb 0.49 -4.84 0.00 0.00 -0.72 0.00 0.00 41.12 36.05 1h4h n ASP 12 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1h4h n GLY 13 N -1.78 3.04 3.75 0.27 0.00 -1.26 -4.29 105.19 104.92 1h4h n GLY 13 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1h4h n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h4h s TYR 14 N -2.44 3.24 -0.40 1.61 1.51 -1.01 -4.74 117.35 115.11 1h4h s TYR 14 Ca 0.00 0.20 -0.28 0.00 -1.01 0.00 0.00 57.07 55.98 1h4h s TYR 14 Cb 0.00 -1.74 0.02 0.00 -0.11 0.00 0.00 41.96 40.13 1h4h s TYR 14 CO 0.00 0.53 1.05 -0.51 -1.11 0.00 0.00 175.55 175.52 1h4h s ASP 15 N -1.54 6.72 0.18 2.29 1.01 0.58 0.39 116.67 126.30 1h4h s ASP 15 Ca 0.20 0.64 0.06 0.00 0.71 0.00 0.00 52.55 54.17 1h4h s ASP 15 Cb -0.12 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1h4h s ASP 15 CO 0.11 -1.04 0.08 -0.72 0.21 0.00 0.00 175.17 173.82 1h4h s TYR 16 N 3.94 3.00 -0.13 4.23 -0.85 0.23 -1.56 117.35 126.21 1h4h s TYR 16 Ca 0.44 -0.08 -0.08 0.00 -0.52 0.00 0.00 57.07 56.83 1h4h s TYR 16 Cb -0.10 -1.43 0.05 0.00 0.38 0.00 0.00 41.96 40.86 1h4h s TYR 16 CO 0.23 0.53 0.32 -2.00 -1.52 0.00 0.00 175.55 173.11 1h4h s GLU 17 N -3.15 0.31 -0.14 -3.49 2.12 0.34 -2.35 118.70 112.35 1h4h s GLU 17 Ca 0.30 0.62 -0.03 0.00 0.36 0.00 0.00 54.97 56.22 1h4h s GLU 17 Cb -0.09 -0.03 -0.03 0.00 0.26 0.00 0.00 34.13 34.24 1h4h s GLU 17 CO 0.22 -0.14 -0.05 0.12 -0.54 0.00 0.00 175.26 174.86 1h4h s PHE 18 N 1.12 2.99 -0.06 5.30 2.19 0.11 -2.35 117.98 127.28 1h4h s PHE 18 Ca -0.08 -0.29 -0.02 0.00 0.33 0.00 0.00 56.93 56.87 1h4h s PHE 18 Cb -0.08 -1.91 0.04 0.00 -1.31 0.00 0.00 43.02 39.76 1h4h s PHE 18 CO -0.09 0.00 0.12 -0.46 1.83 0.00 0.00 175.22 176.63 1h4h s TRP 19 N 0.19 -0.12 0.06 10.12 -0.00 -0.87 -1.57 118.94 126.75 1h4h s TRP 19 Ca -0.03 0.42 -0.04 0.00 -0.00 0.00 0.00 56.10 56.45 1h4h s TRP 19 Cb -0.14 -0.14 -0.02 0.00 -0.00 0.00 0.00 33.47 33.17 1h4h s TRP 19 CO 0.03 -0.16 0.06 -1.59 -0.00 0.00 0.00 176.95 175.29 1h4h s LYS 20 N 1.28 0.67 0.00 5.86 -2.85 -1.26 -0.85 119.74 122.59 1h4h s LYS 20 Ca -0.08 -1.06 0.00 0.00 -1.00 0.00 0.00 55.97 53.83 1h4h s LYS 20 Cb -0.12 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 1h4h s LYS 20 CO -0.05 -0.16 0.00 -0.40 0.10 0.00 0.00 175.35 174.83 1h4h n ASP 21 N 0.18 0.00 -4.81 0.03 5.68 -0.82 -4.94 116.55 111.86 1h4h n ASP 21 Ca -0.15 -0.84 -0.33 0.00 -0.50 0.00 0.00 54.79 52.97 1h4h n ASP 21 Cb 0.61 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.58 1h4h n ASP 21 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1h4h s SER 22 N -1.00 6.13 0.00 -1.12 1.04 -1.26 -4.83 113.70 112.66 1h4h s SER 22 Ca 0.00 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.22 1h4h s SER 22 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1h4h s SER 22 CO 0.00 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1h4h n GLY 23 N -0.91 2.66 7.00 7.32 0.00 -1.26 -4.48 105.19 115.51 1h4h n GLY 23 Ca 0.08 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1h4h n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h4h n GLY 24 N 1.46 -1.10 3.38 -0.02 0.00 -1.20 -4.22 105.19 103.49 1h4h n GLY 24 Ca 0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 1h4h n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h4h s SER 25 N -4.00 0.03 0.10 1.61 1.04 -0.01 -4.94 113.70 107.52 1h4h s SER 25 Ca 0.00 -0.98 -0.12 0.00 0.48 0.00 0.00 55.95 55.33 1h4h s SER 25 Cb 0.00 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.60 1h4h s SER 25 CO 0.00 -0.95 0.27 -0.83 0.98 0.00 0.00 173.24 172.71 1h4h s GLY 26 N -3.02 -0.06 -0.02 7.32 0.00 -1.26 -0.46 107.32 109.82 1h4h s GLY 26 Ca 0.23 -0.38 0.01 0.00 0.00 0.00 0.00 44.72 44.57 1h4h s GLY 26 CO 0.05 -0.59 -0.00 -1.59 0.00 0.00 0.00 173.10 170.96 1h4h s THR 27 N -3.78 0.18 -0.08 0.90 2.01 0.19 -4.45 115.64 110.61 1h4h s THR 27 Ca 0.04 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.13 1h4h s THR 27 Cb 0.03 -0.25 -0.00 0.00 0.01 0.00 0.00 72.50 72.29 1h4h s THR 27 CO -0.11 0.13 -0.22 -0.32 -0.69 0.00 0.00 174.62 173.41 1h4h s MET 28 N 0.83 2.58 -0.19 4.92 0.00 -0.16 -0.20 119.30 127.09 1h4h s MET 28 Ca -0.08 -0.79 -0.01 0.00 0.00 0.00 0.00 55.69 54.80 1h4h s MET 28 Cb -0.12 -2.05 -0.00 0.00 0.00 0.00 0.00 34.83 32.66 1h4h s MET 28 CO -0.01 0.22 -0.11 0.42 0.00 0.00 0.00 175.02 175.53 1h4h s ILE 29 N 0.22 2.88 -0.50 10.11 1.01 -0.29 -0.59 121.20 134.04 1h4h s ILE 29 Ca -0.13 -0.68 -0.28 0.00 0.00 0.00 0.00 60.65 59.57 1h4h s ILE 29 Cb -0.16 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.08 1h4h s ILE 29 CO 0.06 0.48 1.09 -0.76 0.00 0.00 0.00 174.94 175.82 1h4h s LEU 30 N 1.15 3.70 0.00 2.97 1.43 -1.26 -1.52 118.68 125.14 1h4h s LEU 30 Ca 0.01 0.26 0.06 0.00 -1.03 0.00 0.00 54.13 53.43 1h4h s LEU 30 Cb -0.14 -3.35 0.06 0.00 0.03 0.00 0.00 46.19 42.79 1h4h s LEU 30 CO -0.04 -1.26 0.52 0.59 0.23 0.00 0.00 176.35 176.39 1h4h n ASN 31 N 7.81 1.67 -4.71 2.29 5.03 -0.40 -4.91 115.26 122.04 1h4h n ASN 31 Ca 0.09 -2.16 -0.42 0.00 0.87 0.00 0.00 54.58 52.96 1h4h n ASN 31 Cb 0.49 -0.25 -0.01 0.00 -1.02 0.00 0.00 39.78 38.99 1h4h n ASN 31 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1h4h n HIS 32 N -1.81 2.40 -0.92 3.10 1.44 -1.26 -4.20 115.22 113.97 1h4h n HIS 32 Ca 0.09 0.52 0.00 0.00 -2.01 0.00 0.00 57.72 56.32 1h4h n HIS 32 Cb 0.43 -2.44 0.00 0.00 0.12 0.00 0.00 29.99 28.10 1h4h n HIS 32 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1h4h n GLY 33 N 0.84 3.37 0.14 -1.39 0.00 -1.26 -1.91 105.19 104.99 1h4h n GLY 33 Ca 0.05 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1h4h n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h4h n GLY 34 N 0.00 -0.68 3.87 -0.02 0.00 -1.21 -4.52 105.19 102.63 1h4h n GLY 34 Ca 0.00 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1h4h n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h4h s THR 35 N -1.96 4.80 -0.07 2.61 -4.23 -0.80 -4.66 115.64 111.32 1h4h s THR 35 Ca 0.35 0.61 -0.31 0.00 -1.18 0.00 0.00 61.69 61.16 1h4h s THR 35 Cb 0.17 -3.71 0.11 0.00 1.34 0.00 0.00 72.50 70.42 1h4h s THR 35 CO 0.28 -0.42 1.04 0.72 -0.54 0.00 0.00 174.62 175.70 1h4h s PHE 36 N -2.25 -0.23 0.22 3.99 -0.12 -0.91 -1.27 117.98 117.42 1h4h s PHE 36 Ca 0.51 0.12 0.10 0.00 -0.05 0.00 0.00 56.93 57.60 1h4h s PHE 36 Cb -0.10 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.78 1h4h s PHE 36 CO 0.28 -0.41 -0.19 -1.54 -0.05 0.00 0.00 175.22 173.31 1h4h s SER 37 N -2.43 3.12 -0.01 1.98 1.04 -0.58 -0.44 113.70 116.39 1h4h s SER 37 Ca 0.08 -0.96 -0.03 0.00 0.48 0.00 0.00 55.95 55.52 1h4h s SER 37 Cb -0.01 -0.22 -0.00 0.00 0.10 0.00 0.00 66.02 65.89 1h4h s SER 37 CO -0.06 -0.01 0.06 0.00 0.98 0.00 0.00 173.24 174.21 1h4h s ALA 38 N -2.35 -0.13 -0.06 5.32 0.00 0.72 -1.13 121.76 124.13 1h4h s ALA 38 Ca 0.23 -0.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.03 1h4h s ALA 38 Cb -0.05 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.12 1h4h s ALA 38 CO 0.10 -0.12 0.14 -1.14 0.00 0.00 0.00 175.76 174.75 1h4h s GLN 39 N -0.78 0.13 0.04 0.00 -0.44 0.72 -1.00 119.66 118.33 1h4h s GLN 39 Ca -0.09 0.27 -0.01 0.00 -2.50 0.00 0.00 55.36 53.04 1h4h s GLN 39 Cb -0.05 -0.03 -0.03 0.00 -1.64 0.00 0.00 33.01 31.25 1h4h s GLN 39 CO 0.00 -0.08 -0.03 1.67 0.50 0.00 0.00 175.29 177.35 1h4h s TRP 40 N 0.54 0.45 -0.14 1.67 -2.14 -0.07 -0.64 118.94 118.60 1h4h s TRP 40 Ca -0.04 -0.89 -0.05 0.00 2.66 0.00 0.00 56.10 57.78 1h4h s TRP 40 Cb -0.05 -0.33 0.07 0.00 -3.10 0.00 0.00 33.47 30.06 1h4h s TRP 40 CO -0.02 -0.31 0.28 1.21 -2.66 0.00 0.00 176.95 175.44 1h4h s ASN 41 N -2.45 0.29 -1.43 -2.66 3.84 0.39 -1.75 114.94 111.17 1h4h s ASN 41 Ca -0.00 0.63 -0.08 0.00 0.21 0.00 0.00 52.86 53.61 1h4h s ASN 41 Cb 0.02 0.78 0.05 0.00 -0.55 0.00 0.00 41.25 41.55 1h4h s ASN 41 CO -0.07 -0.24 0.91 0.59 -2.79 0.00 0.00 177.10 175.50 1h4h n ASN 42 N 5.36 -3.61 -4.95 -4.21 3.02 -1.12 -0.83 115.26 108.92 1h4h n ASN 42 Ca -0.06 -0.77 -0.23 0.00 -0.03 0.00 0.00 54.58 53.49 1h4h n ASN 42 Cb 0.50 -4.09 0.03 0.00 -0.61 0.00 0.00 39.78 35.61 1h4h n ASN 42 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1h4h s VAL 43 N -3.43 3.25 -0.12 2.41 -7.23 -1.08 -3.21 120.40 110.99 1h4h s VAL 43 Ca 0.41 -0.42 -0.07 0.00 -1.81 0.00 0.00 61.98 60.09 1h4h s VAL 43 Cb -0.20 -3.25 -0.02 0.00 0.56 0.00 0.00 36.38 33.46 1h4h s VAL 43 CO 0.81 -0.21 -0.15 -1.13 -0.31 0.00 0.00 175.10 174.12 1h4h h ASN 44 N 0.03 0.00 -3.20 4.85 -1.24 -1.79 -2.93 115.58 111.31 1h4h h ASN 44 Ca -0.44 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.31 1h4h h ASN 44 Cb 1.28 0.00 -0.33 0.00 0.73 0.00 0.00 38.32 39.99 1h4h h ASN 44 CO 0.57 0.66 -0.60 0.21 -1.29 0.00 0.00 177.43 176.98 1h4h s ASN 45 N -5.48 0.31 0.01 1.15 3.04 -1.26 -1.07 114.94 111.64 1h4h s ASN 45 Ca -0.12 0.37 0.02 0.00 0.04 0.00 0.00 52.86 53.17 1h4h s ASN 45 Cb 0.02 0.31 -0.01 0.00 -1.54 0.00 0.00 41.25 40.03 1h4h s ASN 45 CO 0.18 -0.20 -0.06 -0.51 -3.04 0.00 0.00 177.10 173.46 1h4h s ILE 46 N 1.83 0.44 -0.03 -5.21 2.07 -0.69 -1.95 121.20 117.66 1h4h s ILE 46 Ca -0.02 -0.53 0.01 0.00 -1.41 0.00 0.00 60.65 58.70 1h4h s ILE 46 Cb -0.12 -0.43 0.02 0.00 0.13 0.00 0.00 42.46 42.06 1h4h s ILE 46 CO -0.06 -0.07 -0.05 -0.76 -1.91 0.00 0.00 174.94 172.08 1h4h s LEU 47 N -0.66 1.50 -0.05 8.50 1.02 -0.03 -0.14 118.68 128.83 1h4h s LEU 47 Ca -0.03 -0.13 0.04 0.00 0.02 0.00 0.00 54.13 54.03 1h4h s LEU 47 Cb -0.05 -0.43 0.00 0.00 0.02 0.00 0.00 46.19 45.73 1h4h s LEU 47 CO 0.00 -0.02 -0.16 -0.36 0.02 0.00 0.00 176.35 175.83 1h4h s PHE 48 N 0.64 1.66 0.05 0.29 0.40 -0.03 -2.05 117.98 118.95 1h4h s PHE 48 Ca -0.09 -0.51 -0.26 0.00 -0.60 0.00 0.00 56.93 55.47 1h4h s PHE 48 Cb -0.12 -1.13 0.07 0.00 0.51 0.00 0.00 43.02 42.35 1h4h s PHE 48 CO 0.00 -0.19 0.63 -0.98 0.70 0.00 0.00 175.22 175.38 1h4h s ARG 49 N 0.17 1.15 -0.05 0.44 1.70 -0.99 -0.50 118.95 120.87 1h4h s ARG 49 Ca -0.06 -0.11 -0.00 0.00 -0.47 0.00 0.00 55.73 55.08 1h4h s ARG 49 Cb -0.12 0.53 0.03 0.00 -0.57 0.00 0.00 34.95 34.82 1h4h s ARG 49 CO 0.03 -0.43 -0.01 0.15 -1.08 0.00 0.00 175.30 173.96 1h4h s LYS 50 N -2.43 0.54 0.00 3.89 1.02 -1.02 -0.50 119.74 121.24 1h4h s LYS 50 Ca -0.05 0.06 0.00 0.00 0.02 0.00 0.00 55.97 55.99 1h4h s LYS 50 Cb -0.01 -0.77 0.00 0.00 -0.52 0.00 0.00 37.83 36.54 1h4h s LYS 50 CO -0.01 -0.20 0.00 0.41 -0.92 0.00 0.00 175.35 174.63 1h4h n GLY 51 N 4.56 1.49 2.95 -3.33 0.00 -0.60 -2.85 105.19 107.41 1h4h n GLY 51 Ca -0.17 0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1h4h n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h4h s LYS 52 N 4.09 0.95 -0.00 1.61 2.47 -0.00 -0.31 119.74 128.54 1h4h s LYS 52 Ca 0.00 -0.21 -0.11 0.00 -1.56 0.00 0.00 55.97 54.09 1h4h s LYS 52 Cb 0.00 -0.89 -0.05 0.00 -1.46 0.00 0.00 37.83 35.43 1h4h s LYS 52 CO 0.00 0.01 0.34 0.15 0.16 0.00 0.00 175.35 176.01 1h4h s LYS 53 N 0.58 3.75 0.37 4.03 1.02 -1.26 -1.40 119.74 126.83 1h4h s LYS 53 Ca -0.09 0.20 0.08 0.00 0.02 0.00 0.00 55.97 56.18 1h4h s LYS 53 Cb -0.12 -3.15 -0.07 0.00 -0.52 0.00 0.00 37.83 33.97 1h4h s LYS 53 CO 0.01 0.67 -0.03 -0.06 -0.92 0.00 0.00 175.35 175.03 1h4h s PHE 54 N -1.17 2.40 -0.37 3.18 0.08 0.98 -4.96 117.98 118.12 1h4h s PHE 54 Ca 0.25 -0.64 0.07 0.00 0.12 0.00 0.00 56.93 56.73 1h4h s PHE 54 Cb -0.15 -1.56 0.66 0.00 -0.57 0.00 0.00 43.02 41.40 1h4h s PHE 54 CO 0.13 0.45 1.75 0.27 -0.10 0.00 0.00 175.22 177.72 1h4h n ASN 55 N -0.86 4.31 -2.14 1.36 6.94 -1.26 -4.59 115.26 119.02 1h4h n ASN 55 Ca -0.05 -3.21 -0.16 0.00 -0.02 0.00 0.00 54.58 51.14 1h4h n ASN 55 Cb 0.66 -0.75 0.02 0.00 -2.36 0.00 0.00 39.78 37.34 1h4h n ASN 55 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1h4h n GLU 56 N -0.38 -3.00 0.00 -3.83 1.02 -1.00 -4.89 120.64 108.56 1h4h n GLU 56 Ca 0.43 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 58.26 1h4h n GLU 56 Cb 1.38 -5.05 0.00 0.00 -0.02 0.00 0.00 31.44 27.75 1h4h n GLU 56 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1h4h n THR 57 N -4.14 0.00 -4.82 2.62 -2.24 -1.26 -4.86 114.28 99.57 1h4h n THR 57 Ca -0.11 -0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.27 1h4h n THR 57 Cb 0.60 0.56 -0.14 0.00 -2.10 0.00 0.00 70.33 69.26 1h4h n THR 57 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1h4h s GLN 58 N -1.81 3.07 1.05 -0.78 -0.21 -1.26 -4.99 119.66 114.74 1h4h s GLN 58 Ca 0.00 -0.69 -0.12 0.00 0.02 0.00 0.00 55.36 54.57 1h4h s GLN 58 Cb 0.00 -2.54 0.22 0.00 1.00 0.00 0.00 33.01 31.69 1h4h s GLN 58 CO 0.00 0.36 1.08 0.95 -2.12 0.00 0.00 175.29 175.56 1h4h s THR 59 N -0.04 2.09 0.31 -0.19 -4.23 -1.26 -0.76 115.64 111.57 1h4h s THR 59 Ca -0.03 0.03 -0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1h4h s THR 59 Cb -0.14 -2.10 0.25 0.00 1.34 0.00 0.00 72.50 71.84 1h4h s THR 59 CO 0.04 -0.04 1.96 1.12 -0.54 0.00 0.00 174.62 177.16 1h4h h HIS 60 N -2.27 0.92 -0.53 3.99 2.07 -1.95 -0.52 115.15 116.87 1h4h h HIS 60 Ca -0.54 0.01 0.03 0.00 -2.85 0.00 0.00 60.37 57.01 1h4h h HIS 60 Cb 1.30 -0.31 -0.04 0.00 2.57 0.00 0.00 27.41 30.94 1h4h h HIS 60 CO 0.37 0.61 0.31 1.96 -3.07 0.00 0.00 177.93 178.11 1h4h h GLN 61 N 0.97 0.60 -0.38 5.12 7.50 -1.91 -0.94 115.11 126.07 1h4h h GLN 61 Ca 0.26 -0.04 -0.08 0.00 0.50 0.00 0.00 58.65 59.29 1h4h h GLN 61 Cb -0.05 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 27.33 1h4h h GLN 61 CO -0.05 0.40 -0.08 1.96 -1.50 0.00 0.00 178.83 179.56 1h4h h GLN 62 N 0.62 0.65 -0.50 1.46 4.20 -1.53 -2.85 115.11 117.17 1h4h h GLN 62 Ca 0.22 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1h4h h GLN 62 Cb 0.04 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1h4h h GLN 62 CO -0.10 0.73 0.16 0.28 -0.67 0.00 0.00 178.83 179.23 1h4h h VAL 63 N 0.61 1.23 0.00 -0.54 2.07 -0.83 -3.49 116.25 115.29 1h4h h VAL 63 Ca 0.11 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1h4h h VAL 63 Cb 0.50 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1h4h h VAL 63 CO 0.03 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.50 1h4h n GLY 64 N -0.71 0.89 3.67 2.17 0.00 -0.39 -4.82 105.19 106.00 1h4h n GLY 64 Ca 0.02 -2.29 -0.45 0.00 0.00 0.00 0.00 46.02 43.30 1h4h n GLY 64 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1h4h n ASN 65 N 0.00 3.87 -4.52 1.61 5.15 -1.26 -4.76 115.26 115.34 1h4h n ASN 65 Ca 0.00 0.93 -0.34 0.00 -0.60 0.00 0.00 54.58 54.58 1h4h n ASN 65 Cb 0.00 -1.46 -0.12 0.00 -0.53 0.00 0.00 39.78 37.67 1h4h n ASN 65 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1h4h s MET 66 N 4.24 3.36 -0.09 1.20 -1.94 -1.26 0.14 119.30 124.93 1h4h s MET 66 Ca 0.90 -0.53 -0.08 0.00 -1.71 0.00 0.00 55.69 54.27 1h4h s MET 66 Cb -0.54 -2.79 0.03 0.00 2.01 0.00 0.00 34.83 33.53 1h4h s MET 66 CO 0.46 0.39 0.24 0.45 -0.01 0.00 0.00 175.02 176.55 1h4h s SER 67 N -0.04 -0.26 -0.12 3.03 0.15 -0.52 -2.31 113.70 113.63 1h4h s SER 67 Ca 0.01 0.50 0.01 0.00 0.70 0.00 0.00 55.95 57.17 1h4h s SER 67 Cb -0.13 0.47 0.02 0.00 -1.71 0.00 0.00 66.02 64.67 1h4h s SER 67 CO 0.03 -0.11 -0.15 -0.63 1.20 0.00 0.00 173.24 173.58 1h4h s ILE 68 N 0.44 1.51 -0.24 6.45 1.01 -0.76 -0.05 121.20 129.56 1h4h s ILE 68 Ca -0.03 -0.63 -0.20 0.00 0.00 0.00 0.00 60.65 59.80 1h4h s ILE 68 Cb -0.04 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 1h4h s ILE 68 CO -0.02 0.44 0.59 0.21 0.00 0.00 0.00 174.94 176.16 1h4h s ASN 69 N 1.13 6.56 0.24 3.58 3.84 0.24 -1.52 114.94 129.01 1h4h s ASN 69 Ca -0.03 0.68 0.01 0.00 0.21 0.00 0.00 52.86 53.73 1h4h s ASN 69 Cb -0.14 -2.32 -0.04 0.00 -0.55 0.00 0.00 41.25 38.20 1h4h s ASN 69 CO -0.04 -0.31 0.18 -0.72 -2.79 0.00 0.00 177.10 173.42 1h4h s TYR 70 N 2.24 1.31 -0.26 0.43 1.13 -0.17 -1.48 117.35 120.55 1h4h s TYR 70 Ca 0.25 -1.45 -0.12 0.00 -1.41 0.00 0.00 57.07 54.34 1h4h s TYR 70 Cb -0.16 -0.59 0.09 0.00 -1.10 0.00 0.00 41.96 40.21 1h4h s TYR 70 CO 0.09 -0.71 0.60 0.20 -2.51 0.00 0.00 175.55 173.22 1h4h s GLY 71 N -3.22 -0.57 -0.01 5.49 0.00 -0.16 -1.47 107.32 107.39 1h4h s GLY 71 Ca 0.39 2.15 0.00 0.00 0.00 0.00 0.00 44.72 47.26 1h4h s GLY 71 CO 0.16 2.42 -0.00 0.00 0.00 0.00 0.00 173.10 175.68 1h4h s ALA 72 N 1.98 0.07 -0.64 3.20 0.00 -0.26 -1.22 121.76 124.90 1h4h s ALA 72 Ca -0.08 0.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.73 1h4h s ALA 72 Cb -0.08 -0.07 0.12 0.00 0.00 0.00 0.00 23.12 23.09 1h4h s ALA 72 CO -0.18 -0.01 0.73 1.21 0.00 0.00 0.00 175.76 177.51 1h4h s ASN 73 N 0.22 6.27 -0.33 0.00 3.84 0.13 -4.78 114.94 120.30 1h4h s ASN 73 Ca -0.02 -1.62 -0.10 0.00 0.21 0.00 0.00 52.86 51.33 1h4h s ASN 73 Cb -0.03 -2.30 0.01 0.00 -0.55 0.00 0.00 41.25 38.38 1h4h s ASN 73 CO -0.01 -1.05 0.16 0.12 -2.79 0.00 0.00 177.10 173.54 1h4h s PHE 74 N 2.39 3.20 -0.49 0.43 5.36 -1.26 -1.09 117.98 126.51 1h4h s PHE 74 Ca 0.13 -0.76 0.08 0.00 -0.96 0.00 0.00 56.93 55.42 1h4h s PHE 74 Cb -0.22 -2.37 0.30 0.00 -0.34 0.00 0.00 43.02 40.40 1h4h s PHE 74 CO 0.03 -0.54 0.74 1.04 -1.46 0.00 0.00 175.22 175.04 1h4h n GLN 75 N 4.97 1.82 -1.94 10.12 6.02 0.65 -5.01 117.38 134.01 1h4h n GLN 75 Ca -0.13 -3.99 -0.37 0.00 -0.01 0.00 0.00 57.00 52.49 1h4h n GLN 75 Cb 0.48 -1.84 0.03 0.00 1.02 0.00 0.00 30.24 29.93 1h4h n GLN 75 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1h4h s PRO 76 N -2.40 3.13 -0.05 -1.09 0.04 -1.25 -1.88 135.00 131.50 1h4h s PRO 76 Ca 0.41 2.00 0.16 0.00 0.04 0.00 0.00 61.00 63.61 1h4h s PRO 76 Cb 0.25 -2.13 0.51 0.00 0.04 0.00 0.00 34.50 33.17 1h4h s PRO 76 CO -0.09 -1.12 1.43 0.09 0.04 0.00 0.00 177.00 177.35 1h4h n ASN 77 N -1.21 3.74 0.00 6.66 4.13 0.31 -4.93 115.26 123.97 1h4h n ASN 77 Ca 0.11 -2.25 0.00 0.00 1.68 0.00 0.00 54.58 54.13 1h4h n ASN 77 Cb 0.47 -0.42 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 1h4h n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1h4h n GLY 78 N 0.78 -0.79 3.69 7.41 0.00 -1.25 -4.62 105.19 110.40 1h4h n GLY 78 Ca 0.19 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1h4h n GLY 78 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h4h s ASN 79 N -4.00 6.89 -0.10 1.61 0.02 -1.26 -3.66 114.94 114.44 1h4h s ASN 79 Ca 0.00 2.11 -0.30 0.00 -1.02 0.00 0.00 52.86 53.64 1h4h s ASN 79 Cb 0.00 -2.57 0.12 0.00 0.02 0.00 0.00 41.25 38.82 1h4h s ASN 79 CO 0.00 -0.67 0.99 0.00 0.02 0.00 0.00 177.10 177.44 1h4h s ALA 80 N 2.06 -1.91 -0.03 0.60 0.00 -1.26 -0.54 121.76 120.67 1h4h s ALA 80 Ca 0.63 1.36 0.04 0.00 0.00 0.00 0.00 51.96 53.98 1h4h s ALA 80 Cb -0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 1h4h s ALA 80 CO 0.27 -0.50 -0.14 0.71 0.00 0.00 0.00 175.76 176.10 1h4h s TYR 81 N -2.11 1.40 -0.40 0.00 2.02 0.51 -2.03 117.35 116.74 1h4h s TYR 81 Ca 0.03 -0.38 -0.12 0.00 -0.37 0.00 0.00 57.07 56.23 1h4h s TYR 81 Cb -0.01 -0.95 0.03 0.00 -0.40 0.00 0.00 41.96 40.63 1h4h s TYR 81 CO -0.04 -0.13 0.25 -1.17 -1.57 0.00 0.00 175.55 172.89 1h4h s LEU 82 N 0.07 4.94 0.37 -1.29 2.96 -0.51 -1.34 118.68 123.88 1h4h s LEU 82 Ca -0.03 -1.04 -0.10 0.00 -0.22 0.00 0.00 54.13 52.75 1h4h s LEU 82 Cb -0.10 -2.07 0.03 0.00 0.50 0.00 0.00 46.19 44.55 1h4h s LEU 82 CO 0.01 -0.44 0.65 0.00 -1.32 0.00 0.00 176.35 175.26 1h4h s VAL 84 N -2.61 4.36 0.09 0.00 1.01 -0.67 0.14 120.40 122.72 1h4h s VAL 84 Ca 0.22 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1h4h s VAL 84 Cb -0.03 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1h4h s VAL 84 CO 0.16 0.44 -0.08 -0.47 0.00 0.00 0.00 175.10 175.15 1h4h s TYR 85 N 0.68 0.92 -0.92 5.22 6.14 0.15 -0.46 117.35 129.08 1h4h s TYR 85 Ca 0.01 -0.79 0.00 0.00 0.64 0.00 0.00 57.07 56.93 1h4h s TYR 85 Cb -0.14 -0.52 0.00 0.00 0.42 0.00 0.00 41.96 41.72 1h4h s TYR 85 CO 0.02 -0.09 0.00 0.41 0.64 0.00 0.00 175.55 176.52 1h4h n GLY 86 N 0.28 -0.92 3.06 8.97 0.00 -0.89 -1.07 105.19 114.63 1h4h n GLY 86 Ca -0.14 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1h4h n GLY 86 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h4h s TRP 87 N -3.00 0.62 0.31 1.61 0.52 -1.04 -1.08 118.94 116.88 1h4h s TRP 87 Ca 0.00 -0.60 0.09 0.00 0.02 0.00 0.00 56.10 55.61 1h4h s TRP 87 Cb 0.00 -0.38 -0.06 0.00 -1.15 0.00 0.00 33.47 31.88 1h4h s TRP 87 CO 0.00 -0.13 -0.11 0.95 0.02 0.00 0.00 176.95 177.68 1h4h s THR 88 N -1.88 2.11 0.07 2.01 -4.23 -0.18 -1.20 115.64 112.35 1h4h s THR 88 Ca -0.07 -2.23 0.07 0.00 -1.18 0.00 0.00 61.69 58.28 1h4h s THR 88 Cb -0.07 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1h4h s THR 88 CO -0.01 -0.29 -0.18 0.68 -0.54 0.00 0.00 174.62 174.28 1h4h s VAL 89 N -2.71 1.45 -0.80 2.29 -7.23 0.20 -1.62 120.40 111.98 1h4h s VAL 89 Ca 0.31 -1.28 -0.02 0.00 -1.81 0.00 0.00 61.98 59.18 1h4h s VAL 89 Cb 0.01 -1.31 -0.01 0.00 0.56 0.00 0.00 36.38 35.63 1h4h s VAL 89 CO 0.15 -0.00 0.70 0.47 -0.31 0.00 0.00 175.10 176.11 1h4h n ASP 90 N 1.52 -7.06 -4.91 4.85 8.00 -1.26 -0.37 116.55 117.33 1h4h n ASP 90 Ca -0.19 -0.33 -0.27 0.00 0.71 0.00 0.00 54.79 54.71 1h4h n ASP 90 Cb 0.54 -4.56 -0.01 0.00 -0.02 0.00 0.00 41.12 37.07 1h4h n ASP 90 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1h4h s PRO 91 N -3.61 3.58 -0.27 -0.24 0.04 -1.26 -4.21 135.00 129.03 1h4h s PRO 91 Ca 0.06 0.15 -0.29 0.00 0.04 0.00 0.00 61.00 60.96 1h4h s PRO 91 Cb -0.01 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 32.09 1h4h s PRO 91 CO 0.78 -0.08 1.12 -1.17 0.04 0.00 0.00 177.00 177.70 1h4h s LEU 92 N -4.40 4.01 -0.05 -3.56 2.96 -1.26 -3.93 118.68 112.45 1h4h s LEU 92 Ca 0.47 1.25 -0.03 0.00 -0.22 0.00 0.00 54.13 55.60 1h4h s LEU 92 Cb -0.10 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.07 1h4h s LEU 92 CO 0.40 -0.84 0.11 -0.69 -1.32 0.00 0.00 176.35 174.01 1h4h s VAL 93 N 3.61 -0.03 -0.03 1.68 1.01 -0.64 -3.75 120.40 122.26 1h4h s VAL 93 Ca 0.48 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 1h4h s VAL 93 Cb -0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1h4h s VAL 93 CO 0.14 0.04 0.06 0.00 0.00 0.00 0.00 175.10 175.34 1h4h s ALA 94 N 0.62 3.53 0.14 5.51 0.00 -0.77 -1.01 121.76 129.78 1h4h s ALA 94 Ca -0.05 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1h4h s ALA 94 Cb -0.06 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 1h4h s ALA 94 CO -0.03 0.66 -0.04 1.52 0.00 0.00 0.00 175.76 177.88 1h4h s TYR 95 N -1.12 1.08 -0.12 0.00 -0.85 -0.24 -1.70 117.35 114.41 1h4h s TYR 95 Ca 0.20 -0.94 -0.06 0.00 -0.52 0.00 0.00 57.07 55.75 1h4h s TYR 95 Cb -0.12 -0.61 0.05 0.00 0.38 0.00 0.00 41.96 41.66 1h4h s TYR 95 CO 0.11 -0.15 0.28 0.71 -1.52 0.00 0.00 175.55 174.98 1h4h s TYR 96 N -3.60 -0.39 -0.42 -3.49 1.51 0.41 -2.10 117.35 109.26 1h4h s TYR 96 Ca 0.18 0.89 0.02 0.00 -1.01 0.00 0.00 57.07 57.15 1h4h s TYR 96 Cb 0.05 0.09 0.12 0.00 -0.11 0.00 0.00 41.96 42.10 1h4h s TYR 96 CO -0.00 -0.26 0.17 0.42 -1.11 0.00 0.00 175.55 174.77 1h4h s ILE 97 N 1.34 2.71 -0.27 2.71 1.01 0.40 -1.28 121.20 127.81 1h4h s ILE 97 Ca -0.09 -2.57 -0.15 0.00 0.00 0.00 0.00 60.65 57.84 1h4h s ILE 97 Cb -0.10 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1h4h s ILE 97 CO -0.09 -0.69 0.38 -0.69 0.00 0.00 0.00 174.94 173.85 1h4h s VAL 98 N 0.59 5.17 -0.14 2.92 1.01 0.98 -1.66 120.40 129.26 1h4h s VAL 98 Ca 0.12 0.58 0.15 0.00 0.00 0.00 0.00 61.98 62.84 1h4h s VAL 98 Cb -0.22 -3.71 -0.24 0.00 0.00 0.00 0.00 36.38 32.21 1h4h s VAL 98 CO -0.05 0.15 0.31 0.47 0.00 0.00 0.00 175.10 175.97 1h4h n ASP 99 N 5.35 0.41 -4.01 3.32 9.92 -0.58 -1.34 116.55 129.61 1h4h n ASP 99 Ca -0.08 0.17 -0.10 0.00 -0.53 0.00 0.00 54.79 54.25 1h4h n ASP 99 Cb 0.51 0.53 -0.07 0.00 -0.64 0.00 0.00 41.12 41.45 1h4h n ASP 99 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1h4h s SER 100 N -5.76 0.01 0.36 -2.24 0.15 -1.15 -1.19 113.70 103.87 1h4h s SER 100 Ca -0.08 -0.97 -0.14 0.00 0.70 0.00 0.00 55.95 55.45 1h4h s SER 100 Cb 0.07 0.48 0.04 0.00 -1.71 0.00 0.00 66.02 64.90 1h4h s SER 100 CO 0.82 -0.97 0.72 -1.66 1.20 0.00 0.00 173.24 173.35 1h4h s TRP 101 N -4.02 0.25 0.00 3.44 -2.14 -1.26 -1.43 118.94 113.78 1h4h s TRP 101 Ca 0.23 -0.81 0.00 0.00 2.66 0.00 0.00 56.10 58.18 1h4h s TRP 101 Cb 0.02 0.64 0.00 0.00 -3.10 0.00 0.00 33.47 31.04 1h4h s TRP 101 CO 0.05 -1.44 0.00 0.41 -2.66 0.00 0.00 176.95 173.32 1h4h n GLY 102 N -0.52 0.82 0.06 3.67 0.00 -0.86 -4.90 105.19 103.46 1h4h n GLY 102 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1h4h n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1h4h n ASN 103 N 0.00 0.64 -3.83 1.61 6.94 -1.24 -4.80 115.26 114.58 1h4h n ASN 103 Ca 0.00 0.23 -0.23 0.00 -0.02 0.00 0.00 54.58 54.56 1h4h n ASN 103 Cb 0.00 -0.13 -0.17 0.00 -2.36 0.00 0.00 39.78 37.11 1h4h n ASN 103 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 1h4h s TRP 104 N -3.11 0.86 -0.24 -2.53 -0.00 -1.26 -5.08 118.94 107.57 1h4h s TRP 104 Ca 0.09 -0.29 -0.29 0.00 -0.00 0.00 0.00 56.10 55.60 1h4h s TRP 104 Cb 0.14 -0.86 0.00 0.00 -0.00 0.00 0.00 33.47 32.76 1h4h s TRP 104 CO 0.67 -0.33 1.17 0.50 -0.00 0.00 0.00 176.95 178.96 1h4h s ARG 105 N 1.66 4.16 0.81 5.86 3.52 -1.26 -4.87 118.95 128.82 1h4h s ARG 105 Ca 0.01 1.39 -0.12 0.00 -0.13 0.00 0.00 55.73 56.88 1h4h s ARG 105 Cb -0.13 -3.74 0.08 0.00 -1.56 0.00 0.00 34.95 29.60 1h4h s ARG 105 CO -0.04 -0.79 1.14 -1.25 -0.81 0.00 0.00 175.30 173.55 1h4h s PRO 106 N 3.55 1.99 -0.15 5.12 0.04 -1.26 -4.21 135.00 140.07 1h4h s PRO 106 Ca 0.50 0.30 0.16 0.00 0.04 0.00 0.00 61.00 62.00 1h4h s PRO 106 Cb -0.17 -1.94 0.54 0.00 0.04 0.00 0.00 34.50 32.97 1h4h s PRO 106 CO 0.14 -1.61 1.45 -0.35 0.04 0.00 0.00 177.00 176.66 1h4h n PRO 107 N -3.37 3.20 -0.96 0.56 -0.04 -1.26 -4.89 135.00 128.24 1h4h n PRO 107 Ca 0.07 -2.76 0.00 0.00 -0.04 0.00 0.00 63.50 60.77 1h4h n PRO 107 Cb 0.59 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 1h4h n PRO 107 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1h4h n GLY 108 N -0.12 0.46 2.02 0.55 0.00 -1.26 -5.06 105.19 101.78 1h4h n GLY 108 Ca 0.21 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 1h4h n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h4h n ALA 109 N 0.88 0.52 -2.71 4.61 0.00 -1.26 -5.10 120.51 117.44 1h4h n ALA 109 Ca 0.00 -1.14 -0.39 0.00 0.00 0.00 0.00 53.44 51.92 1h4h n ALA 109 Cb 0.00 0.42 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 1h4h n ALA 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1h4h s THR 110 N -1.24 5.13 0.49 0.00 2.01 -1.26 -5.04 115.64 115.74 1h4h s THR 110 Ca 0.22 1.14 -0.24 0.00 0.31 0.00 0.00 61.69 63.12 1h4h s THR 110 Cb -0.02 -3.90 -0.07 0.00 0.01 0.00 0.00 72.50 68.52 1h4h s THR 110 CO 0.14 0.30 1.40 -2.65 -0.69 0.00 0.00 174.62 173.12 1h4h n PRO 111 N 3.69 2.02 -0.01 4.92 -0.02 -1.26 -4.71 135.00 139.63 1h4h n PRO 111 Ca -0.05 0.73 0.09 0.00 -2.02 0.00 0.00 63.50 62.25 1h4h n PRO 111 Cb 0.51 -2.61 -0.13 0.00 -0.02 0.00 0.00 33.50 31.26 1h4h n PRO 111 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1h4h n LYS 112 N -0.53 0.78 -3.15 -0.52 5.02 0.89 -5.01 118.16 115.64 1h4h n LYS 112 Ca 0.07 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1h4h n LYS 112 Cb 0.43 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1h4h n LYS 112 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h4h n GLY 113 N 1.47 -0.96 3.11 0.72 0.00 -1.22 -4.99 105.19 103.32 1h4h n GLY 113 Ca -0.01 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 1h4h n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h4h s THR 114 N -3.00 0.12 -0.03 2.61 -4.23 -1.26 -1.21 115.64 108.64 1h4h s THR 114 Ca 0.00 -1.01 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 1h4h s THR 114 Cb 0.00 -0.78 0.02 0.00 1.34 0.00 0.00 72.50 73.07 1h4h s THR 114 CO 0.00 -0.56 -0.02 -0.51 -0.54 0.00 0.00 174.62 172.99 1h4h s ILE 115 N -2.34 0.27 -0.40 2.99 2.07 -0.18 -4.96 121.20 118.65 1h4h s ILE 115 Ca -0.07 -0.02 -0.15 0.00 -1.41 0.00 0.00 60.65 59.00 1h4h s ILE 115 Cb -0.03 -0.32 0.02 0.00 0.13 0.00 0.00 42.46 42.26 1h4h s ILE 115 CO -0.03 0.14 0.31 -0.89 -1.91 0.00 0.00 174.94 172.56 1h4h s THR 116 N 0.72 5.24 0.10 4.00 2.01 -1.26 -0.42 115.64 126.03 1h4h s THR 116 Ca -0.08 -0.58 -0.22 0.00 0.31 0.00 0.00 61.69 61.12 1h4h s THR 116 Cb -0.11 -3.92 0.06 0.00 0.01 0.00 0.00 72.50 68.54 1h4h s THR 116 CO -0.01 -0.29 0.55 0.54 -0.69 0.00 0.00 174.62 174.72 1h4h s VAL 117 N 1.74 0.02 -1.61 3.82 0.11 -0.34 -4.98 120.40 119.17 1h4h s VAL 117 Ca 0.06 -0.18 -0.12 0.00 -2.93 0.00 0.00 61.98 58.81 1h4h s VAL 117 Cb -0.19 -1.02 0.10 0.00 -1.53 0.00 0.00 36.38 33.74 1h4h s VAL 117 CO 0.10 -0.10 0.65 0.47 -3.33 0.00 0.00 175.10 172.90 1h4h n ASP 118 N -0.01 -2.31 0.00 3.54 8.00 -1.26 -1.56 116.55 122.94 1h4h n ASP 118 Ca -0.17 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1h4h n ASP 118 Cb 0.63 -2.83 0.00 0.00 -0.02 0.00 0.00 41.12 38.89 1h4h n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h4h n GLY 119 N -1.63 1.50 2.01 0.44 0.00 -1.26 -4.95 105.19 101.30 1h4h n GLY 119 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 1h4h n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h4h n GLY 120 N -2.00 3.51 3.15 -0.02 0.00 -0.60 -5.14 105.19 104.08 1h4h n GLY 120 Ca 0.00 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 43.78 1h4h n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h4h s THR 121 N -2.59 1.60 -0.04 2.61 2.01 -1.26 -1.19 115.64 116.78 1h4h s THR 121 Ca 0.16 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.44 1h4h s THR 121 Cb 0.01 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 1h4h s THR 121 CO 0.11 0.46 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.96 1h4h s TYR 122 N 0.22 2.44 0.11 4.92 1.51 0.44 -0.53 117.35 126.46 1h4h s TYR 122 Ca -0.10 -0.51 -0.23 0.00 -1.01 0.00 0.00 57.07 55.23 1h4h s TYR 122 Cb -0.14 -1.57 -0.07 0.00 -0.11 0.00 0.00 41.96 40.07 1h4h s TYR 122 CO 0.04 -0.08 0.69 -0.51 -1.11 0.00 0.00 175.55 174.58 1h4h s ASP 123 N -0.43 7.23 -0.14 2.29 1.01 -0.27 -1.01 116.67 125.35 1h4h s ASP 123 Ca 0.05 1.46 -0.02 0.00 0.71 0.00 0.00 52.55 54.74 1h4h s ASP 123 Cb -0.12 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1h4h s ASP 123 CO 0.01 0.21 -0.06 -0.63 0.21 0.00 0.00 175.17 174.92 1h4h s ILE 124 N -0.99 3.70 0.11 0.77 1.01 -0.35 -0.65 121.20 124.80 1h4h s ILE 124 Ca 0.33 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1h4h s ILE 124 Cb -0.21 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1h4h s ILE 124 CO 0.23 0.51 -0.05 -0.31 0.00 0.00 0.00 174.94 175.33 1h4h s TYR 125 N 0.19 0.94 -0.06 3.97 1.51 -0.15 -0.08 117.35 123.68 1h4h s TYR 125 Ca -0.03 -0.95 0.01 0.00 -1.01 0.00 0.00 57.07 55.08 1h4h s TYR 125 Cb -0.14 -0.55 0.02 0.00 -0.11 0.00 0.00 41.96 41.19 1h4h s TYR 125 CO 0.03 -0.18 -0.05 -2.00 -1.11 0.00 0.00 175.55 172.25 1h4h s GLU 126 N -3.86 0.93 0.40 -0.62 2.12 -1.26 -1.18 118.70 115.23 1h4h s GLU 126 Ca 0.15 -0.11 0.04 0.00 0.36 0.00 0.00 54.97 55.40 1h4h s GLU 126 Cb 0.06 -0.99 -0.04 0.00 0.26 0.00 0.00 34.13 33.42 1h4h s GLU 126 CO -0.03 -0.13 0.08 0.95 -0.54 0.00 0.00 175.26 175.59 1h4h s THR 127 N 1.18 0.97 -0.05 -1.70 -4.23 0.94 -4.96 115.64 107.79 1h4h s THR 127 Ca -0.07 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.46 1h4h s THR 127 Cb -0.14 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.21 1h4h s THR 127 CO -0.01 0.00 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.76 1h4h s LEU 128 N -3.62 1.54 -0.22 4.79 2.96 -1.26 -0.19 118.68 122.68 1h4h s LEU 128 Ca 0.26 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.91 1h4h s LEU 128 Cb 0.05 -0.62 -0.02 0.00 0.50 0.00 0.00 46.19 46.10 1h4h s LEU 128 CO 0.13 0.00 0.01 -0.13 -1.32 0.00 0.00 176.35 175.04 1h4h s ARG 129 N 0.68 3.57 -0.26 1.98 1.81 -0.34 -4.98 118.95 121.42 1h4h s ARG 129 Ca -0.12 -0.53 -0.06 0.00 -1.72 0.00 0.00 55.73 53.30 1h4h s ARG 129 Cb -0.14 -3.12 -0.01 0.00 -0.45 0.00 0.00 34.95 31.23 1h4h s ARG 129 CO 0.02 -0.08 0.04 0.08 -0.68 0.00 0.00 175.30 174.68 1h4h s VAL 130 N 1.25 3.91 -1.14 3.52 1.01 -1.26 -1.29 120.40 126.40 1h4h s VAL 130 Ca 0.04 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 1h4h s VAL 130 Cb -0.15 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1h4h s VAL 130 CO 0.01 0.25 0.77 0.59 0.00 0.00 0.00 175.10 176.72 1h4h n ASN 131 N 4.86 -5.13 -4.58 3.32 3.02 -0.39 -4.93 115.26 111.43 1h4h n ASN 131 Ca -0.16 -1.06 -0.26 0.00 -0.03 0.00 0.00 54.58 53.07 1h4h n ASN 131 Cb 0.50 -3.00 -0.11 0.00 -0.61 0.00 0.00 39.78 36.56 1h4h n ASN 131 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1h4h s GLN 132 N -6.20 1.88 0.56 3.52 -1.52 0.13 -4.66 119.66 113.37 1h4h s GLN 132 Ca 0.46 -2.06 -0.21 0.00 -1.95 0.00 0.00 55.36 51.60 1h4h s GLN 132 Cb -0.18 -1.48 -0.05 0.00 -0.22 0.00 0.00 33.01 31.08 1h4h s GLN 132 CO 0.88 -0.07 1.29 -2.30 -0.25 0.00 0.00 175.29 174.85 1h4h n PRO 133 N -0.90 1.53 -3.23 2.91 -0.02 -1.26 -0.48 135.00 133.55 1h4h n PRO 133 Ca -0.04 0.57 -0.08 0.00 -2.02 0.00 0.00 63.50 61.92 1h4h n PRO 133 Cb 0.67 -2.50 0.01 0.00 -0.02 0.00 0.00 33.50 31.66 1h4h n PRO 133 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1h4h n SER 134 N -0.98 -1.60 0.00 2.55 3.41 -0.82 -4.81 113.62 111.38 1h4h n SER 134 Ca 0.11 -2.30 0.11 0.00 -0.26 0.00 0.00 58.87 56.53 1h4h n SER 134 Cb 0.45 2.72 0.54 0.00 -0.26 0.00 0.00 64.21 67.66 1h4h n SER 134 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1h4h n ILE 135 N -0.42 0.35 -1.39 -1.33 -5.35 -1.26 -1.92 119.36 108.03 1h4h n ILE 135 Ca -0.05 0.09 0.06 0.00 -0.27 0.00 0.00 62.75 62.58 1h4h n ILE 135 Cb 0.46 -0.71 0.19 0.00 -1.74 0.00 0.00 39.64 37.84 1h4h n ILE 135 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1h4h n LYS 136 N -1.34 1.59 0.00 6.28 4.76 -1.26 -5.11 118.16 123.08 1h4h n LYS 136 Ca 0.09 -3.05 0.00 0.00 -2.87 0.00 0.00 58.31 52.49 1h4h n LYS 136 Cb 0.20 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 1h4h n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h4h n GLY 137 N -1.19 -1.92 3.66 0.72 0.00 -0.81 -4.84 105.19 100.82 1h4h n GLY 137 Ca 0.20 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 1h4h n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h4h s ILE 138 N 0.00 3.43 0.38 -0.61 -1.09 -1.26 -1.94 121.20 120.11 1h4h s ILE 138 Ca 0.00 0.52 -0.13 0.00 -2.23 0.00 0.00 60.65 58.81 1h4h s ILE 138 Cb 0.00 -3.34 0.04 0.00 -1.58 0.00 0.00 42.46 37.59 1h4h s ILE 138 CO 0.00 -0.05 0.73 0.00 -1.23 0.00 0.00 174.94 174.39 1h4h s ALA 139 N 4.15 -0.47 -0.10 9.38 0.00 0.37 -4.83 121.76 130.27 1h4h s ALA 139 Ca 0.77 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.88 1h4h s ALA 139 Cb -0.36 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.54 1h4h s ALA 139 CO 0.33 -0.95 -0.21 0.99 0.00 0.00 0.00 175.76 175.92 1h4h s THR 140 N -2.48 1.84 0.08 0.00 2.01 -1.26 -0.69 115.64 115.13 1h4h s THR 140 Ca 0.18 -0.87 -0.23 0.00 0.31 0.00 0.00 61.69 61.08 1h4h s THR 140 Cb -0.04 -1.61 0.06 0.00 0.01 0.00 0.00 72.50 70.91 1h4h s THR 140 CO 0.13 0.51 0.55 0.72 -0.69 0.00 0.00 174.62 175.84 1h4h s PHE 141 N 0.58 -0.47 0.35 4.92 -0.71 -0.41 -4.97 117.98 117.27 1h4h s PHE 141 Ca -0.14 0.46 -0.11 0.00 -1.04 0.00 0.00 56.93 56.10 1h4h s PHE 141 Cb -0.17 0.41 -0.07 0.00 -1.21 0.00 0.00 43.02 41.98 1h4h s PHE 141 CO 0.05 -0.71 0.71 0.15 -1.34 0.00 0.00 175.22 174.07 1h4h s LYS 142 N -2.82 3.82 -0.03 1.99 -0.14 -1.25 -1.20 119.74 120.12 1h4h s LYS 142 Ca -0.03 0.45 0.05 0.00 -1.36 0.00 0.00 55.97 55.08 1h4h s LYS 142 Cb -0.00 -2.46 -0.02 0.00 -1.68 0.00 0.00 37.83 33.66 1h4h s LYS 142 CO -0.05 0.09 -0.18 -0.65 -0.76 0.00 0.00 175.35 173.80 1h4h s GLN 143 N -3.45 2.34 -0.08 1.68 -0.21 0.74 -1.84 119.66 118.84 1h4h s GLN 143 Ca 0.51 -0.80 0.00 0.00 0.02 0.00 0.00 55.36 55.09 1h4h s GLN 143 Cb -0.10 -2.26 -0.03 0.00 1.00 0.00 0.00 33.01 31.62 1h4h s GLN 143 CO 0.26 0.60 -0.06 0.71 -2.12 0.00 0.00 175.29 174.68 1h4h s TYR 144 N -0.72 2.97 -0.04 0.91 2.02 -0.69 -0.04 117.35 121.77 1h4h s TYR 144 Ca 0.11 0.00 0.03 0.00 -0.37 0.00 0.00 57.07 56.85 1h4h s TYR 144 Cb -0.10 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.71 1h4h s TYR 144 CO 0.01 0.31 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.60 1h4h s TRP 145 N -0.69 1.23 -0.16 2.71 0.52 -0.33 -0.45 118.94 121.77 1h4h s TRP 145 Ca 0.11 -0.35 0.00 0.00 0.02 0.00 0.00 56.10 55.88 1h4h s TRP 145 Cb -0.11 -0.87 0.03 0.00 -1.15 0.00 0.00 33.47 31.37 1h4h s TRP 145 CO 0.02 -0.15 -0.11 -1.12 0.02 0.00 0.00 176.95 175.61 1h4h s SER 146 N 0.24 2.86 -0.12 2.95 0.01 -0.41 -0.97 113.70 118.27 1h4h s SER 146 Ca -0.05 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.60 1h4h s SER 146 Cb -0.11 -1.11 0.02 0.00 0.21 0.00 0.00 66.02 65.03 1h4h s SER 146 CO 0.01 -0.11 -0.13 -0.69 0.41 0.00 0.00 173.24 172.74 1h4h s VAL 147 N 1.51 1.36 0.54 3.43 1.01 0.17 -0.02 120.40 128.40 1h4h s VAL 147 Ca 0.02 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 1h4h s VAL 147 Cb -0.14 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1h4h s VAL 147 CO -0.09 0.42 1.36 -0.60 0.00 0.00 0.00 175.10 176.19 1h4h s ARG 148 N 1.28 3.20 0.20 2.72 3.52 -0.45 -1.11 118.95 128.31 1h4h s ARG 148 Ca -0.01 2.24 0.09 0.00 -0.13 0.00 0.00 55.73 57.92 1h4h s ARG 148 Cb -0.14 -2.29 0.09 0.00 -1.56 0.00 0.00 34.95 31.05 1h4h s ARG 148 CO -0.05 -1.15 1.45 0.00 -0.81 0.00 0.00 175.30 174.74 1h4h h ARG 149 N 1.54 0.00 -5.11 5.12 3.08 -1.17 -3.45 114.38 114.40 1h4h h ARG 149 Ca -0.51 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.13 1h4h h ARG 149 Cb 1.30 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.10 1h4h h ARG 149 CO 0.58 0.80 -0.78 -1.54 -1.07 0.00 0.00 179.97 177.95 1h4h s SER 150 N -6.77 1.44 0.50 7.04 1.04 -1.26 -5.11 113.70 110.58 1h4h s SER 150 Ca -0.00 -0.41 -0.22 0.00 0.48 0.00 0.00 55.95 55.79 1h4h s SER 150 Cb 0.11 -0.09 -0.07 0.00 0.10 0.00 0.00 66.02 66.07 1h4h s SER 150 CO 0.79 0.02 1.20 0.29 0.98 0.00 0.00 173.24 176.52 1h4h n LYS 151 N 2.03 1.55 -3.65 4.02 5.02 -1.26 -4.93 118.16 120.94 1h4h n LYS 151 Ca -0.18 0.57 -0.13 0.00 -2.02 0.00 0.00 58.31 56.55 1h4h n LYS 151 Cb 0.55 -2.36 -0.06 0.00 -0.02 0.00 0.00 35.03 33.14 1h4h n LYS 151 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1h4h s ARG 152 N -2.53 0.94 -0.11 1.97 1.70 -0.34 -5.00 118.95 115.59 1h4h s ARG 152 Ca 0.68 -0.34 0.14 0.00 -0.47 0.00 0.00 55.73 55.74 1h4h s ARG 152 Cb -0.46 0.42 0.28 0.00 -0.57 0.00 0.00 34.95 34.61 1h4h s ARG 152 CO 0.52 -0.32 1.14 0.25 -1.08 0.00 0.00 175.30 175.81 1h4h n THR 153 N 0.50 1.35 -3.53 4.99 -2.24 -1.26 -3.69 114.28 110.40 1h4h n THR 153 Ca -0.18 -1.88 -0.11 0.00 -2.27 0.00 0.00 64.05 59.60 1h4h n THR 153 Cb 0.60 0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.85 1h4h n THR 153 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1h4h s SER 154 N -2.47 -0.42 0.00 3.42 1.04 -1.26 -1.10 113.70 112.91 1h4h s SER 154 Ca 0.27 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1h4h s SER 154 Cb 0.26 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1h4h s SER 154 CO -0.02 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1h4h n GLY 155 N 0.25 0.77 3.56 7.32 0.00 -0.54 -4.98 105.19 111.56 1h4h n GLY 155 Ca -0.11 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.52 1h4h n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h4h s THR 156 N -1.61 4.22 -0.32 2.61 2.01 -1.26 -1.00 115.64 120.29 1h4h s THR 156 Ca 0.00 -0.24 -0.07 0.00 0.31 0.00 0.00 61.69 61.69 1h4h s THR 156 Cb 0.00 -2.86 0.02 0.00 0.01 0.00 0.00 72.50 69.67 1h4h s THR 156 CO 0.00 0.49 0.10 -0.63 -0.69 0.00 0.00 174.62 173.89 1h4h s ILE 157 N 0.28 3.92 -1.28 1.82 1.01 -0.58 -4.79 121.20 121.59 1h4h s ILE 157 Ca -0.01 -0.89 -0.17 0.00 0.00 0.00 0.00 60.65 59.59 1h4h s ILE 157 Cb -0.13 -3.11 0.10 0.00 0.01 0.00 0.00 42.46 39.32 1h4h s ILE 157 CO 0.02 -0.05 1.68 -1.20 0.00 0.00 0.00 174.94 175.39 1h4h n SER 158 N 4.85 4.98 -0.21 3.58 7.64 -1.26 -1.83 113.62 131.38 1h4h n SER 158 Ca -0.14 -2.94 -0.09 0.00 1.01 0.00 0.00 58.87 56.72 1h4h n SER 158 Cb 0.46 -1.70 -0.04 0.00 -1.01 0.00 0.00 64.21 61.93 1h4h n SER 158 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1h4h h VAL 159 N 5.25 0.08 -0.23 0.44 2.07 -1.84 -0.61 116.25 121.41 1h4h h VAL 159 Ca 0.42 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.00 1h4h h VAL 159 Cb 0.86 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1h4h h VAL 159 CO 1.42 0.00 0.18 0.28 0.02 0.00 0.00 177.57 179.47 1h4h h SER 160 N -0.23 0.00 -0.53 0.57 0.02 -1.82 0.05 113.55 111.61 1h4h h SER 160 Ca 0.18 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.05 1h4h h SER 160 Cb 0.56 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1h4h h SER 160 CO -0.69 0.00 0.05 0.78 -1.14 0.00 0.00 176.83 175.83 1h4h h ASN 161 N 0.00 0.92 -0.03 3.07 4.21 -1.42 -0.61 115.58 121.72 1h4h h ASN 161 Ca 0.11 -0.22 -0.16 0.00 1.21 0.00 0.00 56.30 57.23 1h4h h ASN 161 Cb 0.47 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.42 1h4h h ASN 161 CO -0.00 0.95 -0.54 0.45 -1.29 0.00 0.00 177.43 177.00 1h4h h HIS 162 N 0.89 0.76 -0.59 1.19 3.86 -0.87 -2.34 115.15 118.04 1h4h h HIS 162 Ca 0.17 -0.26 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 1h4h h HIS 162 Cb 0.46 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 1h4h h HIS 162 CO 0.03 1.01 0.28 0.74 0.86 0.00 0.00 177.93 180.85 1h4h h PHE 163 N 0.47 0.86 -0.66 2.45 0.04 -1.02 -0.23 116.94 118.85 1h4h h PHE 163 Ca 0.01 -0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.66 1h4h h PHE 163 Cb 1.09 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.95 1h4h h PHE 163 CO 0.05 0.66 0.08 0.00 -0.60 0.00 0.00 178.31 178.50 1h4h h ARG 164 N 0.81 1.11 -0.13 1.51 3.08 -0.96 -1.88 114.38 117.91 1h4h h ARG 164 Ca 0.20 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1h4h h ARG 164 Cb 0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1h4h h ARG 164 CO -0.03 1.03 0.08 0.00 -1.07 0.00 0.00 179.97 179.98 1h4h h ALA 165 N 1.04 0.17 -0.26 0.04 0.00 -1.12 -0.26 119.26 118.86 1h4h h ALA 165 Ca 0.20 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1h4h h ALA 165 Cb 0.47 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1h4h h ALA 165 CO 0.02 -0.33 0.06 -1.49 0.00 0.00 0.00 179.25 177.50 1h4h h TRP 166 N 0.16 0.10 0.00 0.00 6.55 -0.88 -2.04 115.95 119.84 1h4h h TRP 166 Ca 0.05 0.02 -0.07 0.00 0.95 0.00 0.00 58.89 59.83 1h4h h TRP 166 Cb 0.01 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 28.29 1h4h h TRP 166 CO -0.06 0.03 -0.35 0.93 -1.05 0.00 0.00 178.44 177.95 1h4h h GLU 167 N 0.16 0.00 -0.92 0.49 5.08 -1.12 0.14 114.58 118.42 1h4h h GLU 167 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1h4h h GLU 167 Cb 0.11 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1h4h h GLU 167 CO -0.15 0.35 0.59 -0.97 -1.00 0.00 0.00 179.01 177.83 1h4h h ASN 168 N 0.00 1.07 -0.06 1.42 -0.00 -0.51 -1.13 115.58 116.37 1h4h h ASN 168 Ca -0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.26 1h4h h ASN 168 Cb 0.73 -0.27 0.00 0.00 -0.00 0.00 0.00 38.32 38.78 1h4h h ASN 168 CO 0.05 0.79 0.00 0.18 -0.00 0.00 0.00 177.43 178.44 1h4h n LEU 169 N -4.38 0.48 0.00 0.34 4.77 -0.82 -4.87 117.00 112.51 1h4h n LEU 169 Ca 0.10 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1h4h n LEU 169 Cb 0.03 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1h4h n LEU 169 CO 0.37 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1h4h n GLY 170 N 0.82 0.75 3.39 -0.72 0.00 -0.43 -5.00 105.19 104.00 1h4h n GLY 170 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 1h4h n GLY 170 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1h4h s MET 171 N -0.51 3.43 0.43 1.61 -1.94 0.44 -4.98 119.30 117.78 1h4h s MET 171 Ca 0.00 -1.82 -0.21 0.00 -1.71 0.00 0.00 55.69 51.95 1h4h s MET 171 Cb 0.00 -4.56 -0.11 0.00 2.01 0.00 0.00 34.83 32.17 1h4h s MET 171 CO 0.00 -1.56 0.96 -0.80 -0.01 0.00 0.00 175.02 173.61 1h4h s ASN 172 N 3.19 6.90 0.01 3.03 0.01 -1.26 -3.34 114.94 123.48 1h4h s ASN 172 Ca 0.22 1.73 0.06 0.00 -0.71 0.00 0.00 52.86 54.15 1h4h s ASN 172 Cb -0.12 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 38.96 1h4h s ASN 172 CO -0.04 -0.39 -0.16 -0.04 -1.51 0.00 0.00 177.10 174.96 1h4h s MET 173 N -3.11 2.24 0.00 -0.60 -1.94 -1.26 -4.89 119.30 109.75 1h4h s MET 173 Ca 0.62 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 53.73 1h4h s MET 173 Cb -0.10 -2.26 0.00 0.00 2.01 0.00 0.00 34.83 34.47 1h4h s MET 173 CO 0.15 0.57 0.00 0.41 -0.01 0.00 0.00 175.02 176.14 1h4h n GLY 174 N 1.83 1.50 3.73 -0.03 0.00 -1.25 -4.73 105.19 106.24 1h4h n GLY 174 Ca -0.16 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 1h4h n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h4h s LYS 175 N 2.51 4.55 0.27 1.61 -0.14 0.50 -4.37 119.74 124.68 1h4h s LYS 175 Ca 0.00 1.74 -0.30 0.00 -1.36 0.00 0.00 55.97 56.05 1h4h s LYS 175 Cb 0.00 -3.29 -0.10 0.00 -1.68 0.00 0.00 37.83 32.76 1h4h s LYS 175 CO 0.00 -0.01 1.46 -1.64 -0.76 0.00 0.00 175.35 174.40 1h4h s MET 176 N -0.10 4.24 -0.11 1.68 -1.94 0.06 -0.63 119.30 122.50 1h4h s MET 176 Ca 0.51 2.36 0.01 0.00 -1.71 0.00 0.00 55.69 56.86 1h4h s MET 176 Cb -0.30 -3.08 -0.07 0.00 2.01 0.00 0.00 34.83 33.39 1h4h s MET 176 CO 0.34 -0.44 -0.10 0.98 -0.01 0.00 0.00 175.02 175.79 1h4h n TYR 177 N 2.09 0.00 -3.49 -0.03 4.19 -0.34 -2.38 117.16 117.19 1h4h n TYR 177 Ca 0.06 0.00 -0.10 0.00 3.31 0.00 0.00 57.90 61.17 1h4h n TYR 177 Cb 0.40 -0.44 -0.02 0.00 0.49 0.00 0.00 39.34 39.77 1h4h n TYR 177 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 1h4h s GLU 178 N -2.23 0.91 -0.02 2.98 2.12 -1.09 -0.02 118.70 121.35 1h4h s GLU 178 Ca -0.15 -0.27 0.01 0.00 0.36 0.00 0.00 54.97 54.91 1h4h s GLU 178 Cb 0.04 0.42 0.02 0.00 0.26 0.00 0.00 34.13 34.87 1h4h s GLU 178 CO 0.26 -0.38 -0.01 0.54 -0.54 0.00 0.00 175.26 175.13 1h4h s VAL 179 N -2.99 0.16 -0.24 3.70 0.11 -0.50 -2.50 120.40 118.14 1h4h s VAL 179 Ca 0.03 0.04 -0.26 0.00 -2.93 0.00 0.00 61.98 58.86 1h4h s VAL 179 Cb -0.01 -0.23 0.08 0.00 -1.53 0.00 0.00 36.38 34.69 1h4h s VAL 179 CO -0.08 0.11 0.78 0.00 -3.33 0.00 0.00 175.10 172.58 1h4h s ALA 180 N 0.70 -1.82 -0.03 1.54 0.00 -0.23 -0.82 121.76 121.10 1h4h s ALA 180 Ca -0.07 1.91 -0.30 0.00 0.00 0.00 0.00 51.96 53.51 1h4h s ALA 180 Cb -0.10 -1.08 -0.06 0.00 0.00 0.00 0.00 23.12 21.88 1h4h s ALA 180 CO -0.01 -0.32 1.65 -1.17 0.00 0.00 0.00 175.76 175.90 1h4h s LEU 181 N 0.14 4.33 -0.03 0.00 1.98 -1.13 -0.68 118.68 123.30 1h4h s LEU 181 Ca -0.01 2.28 0.05 0.00 -2.89 0.00 0.00 54.13 53.56 1h4h s LEU 181 Cb -0.04 -3.54 -0.01 0.00 0.66 0.00 0.00 46.19 43.26 1h4h s LEU 181 CO 0.01 -0.91 -0.16 -0.89 -1.89 0.00 0.00 176.35 172.51 1h4h s THR 182 N 3.72 1.33 -0.17 3.68 2.01 0.12 -2.42 115.64 123.91 1h4h s THR 182 Ca 0.73 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 1h4h s THR 182 Cb -0.34 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.03 1h4h s THR 182 CO 0.30 0.38 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.83 1h4h s VAL 183 N -0.18 3.18 -0.08 3.82 1.01 0.35 -1.62 120.40 126.87 1h4h s VAL 183 Ca 0.02 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1h4h s VAL 183 Cb -0.09 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1h4h s VAL 183 CO 0.01 0.48 -0.22 -0.70 0.00 0.00 0.00 175.10 174.67 1h4h s GLU 184 N 0.89 2.67 -0.02 2.72 2.12 -0.45 -0.85 118.70 125.78 1h4h s GLU 184 Ca -0.02 -0.78 0.04 0.00 0.36 0.00 0.00 54.97 54.56 1h4h s GLU 184 Cb -0.15 -2.08 -0.03 0.00 0.26 0.00 0.00 34.13 32.13 1h4h s GLU 184 CO 0.00 0.18 -0.12 0.20 -0.54 0.00 0.00 175.26 174.99 1h4h s GLY 185 N 0.31 1.62 -0.13 -1.50 0.00 0.80 -0.36 107.32 108.06 1h4h s GLY 185 Ca -0.15 -1.01 -0.03 0.00 0.00 0.00 0.00 44.72 43.53 1h4h s GLY 185 CO 0.07 -0.83 0.04 -0.47 0.00 0.00 0.00 173.10 171.91 1h4h s TYR 186 N -0.84 0.60 -1.20 1.90 5.04 0.30 -1.70 117.35 121.44 1h4h s TYR 186 Ca 0.14 -0.37 -0.03 0.00 -2.44 0.00 0.00 57.07 54.37 1h4h s TYR 186 Cb -0.11 -0.81 -0.02 0.00 0.35 0.00 0.00 41.96 41.38 1h4h s TYR 186 CO 0.03 -0.44 0.86 1.04 -1.34 0.00 0.00 175.55 175.70 1h4h n GLN 187 N 5.16 -4.65 -3.87 4.97 6.02 -0.24 -4.12 117.38 120.66 1h4h n GLN 187 Ca -0.07 0.74 -0.05 0.00 -0.01 0.00 0.00 57.00 57.61 1h4h n GLN 187 Cb 0.49 -5.47 0.02 0.00 1.02 0.00 0.00 30.24 26.31 1h4h n GLN 187 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1h4h s SER 188 N -4.09 0.03 0.32 1.08 1.04 -1.16 -4.64 113.70 106.28 1h4h s SER 188 Ca 0.14 -0.89 0.07 0.00 0.48 0.00 0.00 55.95 55.74 1h4h s SER 188 Cb -0.03 0.64 -0.06 0.00 0.10 0.00 0.00 66.02 66.67 1h4h s SER 188 CO 0.77 -1.27 -0.03 -0.44 0.98 0.00 0.00 173.24 173.25 1h4h s SER 189 N -3.33 3.00 0.00 7.02 0.01 -1.26 -2.63 113.70 116.51 1h4h s SER 189 Ca 0.21 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1h4h s SER 189 Cb -0.04 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.98 1h4h s SER 189 CO 0.08 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1h4h n GLY 190 N -0.70 -1.21 3.30 3.44 0.00 -0.71 -0.53 105.19 108.78 1h4h n GLY 190 Ca -0.05 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 1h4h n GLY 190 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h4h s SER 191 N -4.00 -0.06 -0.24 1.61 1.04 -0.79 -0.90 113.70 110.37 1h4h s SER 191 Ca 0.00 -0.56 -0.17 0.00 0.48 0.00 0.00 55.95 55.71 1h4h s SER 191 Cb 0.00 0.43 0.07 0.00 0.10 0.00 0.00 66.02 66.62 1h4h s SER 191 CO 0.00 -0.84 0.60 0.00 0.98 0.00 0.00 173.24 173.98 1h4h s ALA 192 N -3.86 -1.56 -0.27 5.32 0.00 -0.17 -0.25 121.76 120.97 1h4h s ALA 192 Ca 0.07 1.95 -0.01 0.00 0.00 0.00 0.00 51.96 53.97 1h4h s ALA 192 Cb 0.03 -1.15 0.04 0.00 0.00 0.00 0.00 23.12 22.04 1h4h s ALA 192 CO -0.09 -0.32 -0.05 1.21 0.00 0.00 0.00 175.76 176.52 1h4h s ASN 193 N 1.04 4.56 -0.80 0.00 3.04 -0.25 -0.20 114.94 122.34 1h4h s ASN 193 Ca -0.06 -1.16 -0.20 0.00 0.04 0.00 0.00 52.86 51.48 1h4h s ASN 193 Cb -0.05 -1.65 0.11 0.00 -1.54 0.00 0.00 41.25 38.11 1h4h s ASN 193 CO -0.10 -0.20 1.01 -0.69 -3.04 0.00 0.00 177.10 174.08 1h4h s VAL 194 N 1.24 4.64 -1.38 -5.21 1.01 0.41 0.19 120.40 121.31 1h4h s VAL 194 Ca -0.04 -1.14 0.27 0.00 0.00 0.00 0.00 61.98 61.07 1h4h s VAL 194 Cb -0.19 -4.70 0.26 0.00 0.00 0.00 0.00 36.38 31.75 1h4h s VAL 194 CO -0.03 -1.43 1.70 0.00 0.00 0.00 0.00 175.10 175.34 1h4h n TYR 195 N 6.81 0.00 -3.71 5.22 0.18 -0.35 -2.14 117.16 123.17 1h4h n TYR 195 Ca 0.10 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.77 1h4h n TYR 195 Cb 0.47 -0.24 -0.11 0.00 -0.38 0.00 0.00 39.34 39.07 1h4h n TYR 195 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1h4h s SER 196 N -2.71 -0.45 -0.29 9.48 0.15 -0.65 -4.91 113.70 114.32 1h4h s SER 196 Ca 0.21 0.80 -0.03 0.00 0.70 0.00 0.00 55.95 57.63 1h4h s SER 196 Cb 0.19 0.69 0.19 0.00 -1.71 0.00 0.00 66.02 65.38 1h4h s SER 196 CO 0.55 -0.18 0.80 0.21 1.20 0.00 0.00 173.24 175.83 1h4h s ASN 197 N 1.25 -1.05 -0.12 5.45 2.47 -1.22 -0.99 114.94 120.73 1h4h s ASN 197 Ca -0.09 0.21 0.01 0.00 0.42 0.00 0.00 52.86 53.42 1h4h s ASN 197 Cb -0.08 1.70 0.02 0.00 -1.45 0.00 0.00 41.25 41.44 1h4h s ASN 197 CO -0.11 -0.19 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.05 1h4h s THR 198 N 2.89 1.49 -0.11 -5.21 2.01 -0.55 -3.33 115.64 112.83 1h4h s THR 198 Ca 0.17 -0.62 -0.17 0.00 0.31 0.00 0.00 61.69 61.37 1h4h s THR 198 Cb -0.07 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1h4h s THR 198 CO -0.23 0.44 0.45 -0.22 -0.69 0.00 0.00 174.62 174.38 1h4h s LEU 199 N 1.19 4.29 -0.12 4.42 2.96 -1.26 -0.60 118.68 129.56 1h4h s LEU 199 Ca -0.02 0.80 0.02 0.00 -0.22 0.00 0.00 54.13 54.71 1h4h s LEU 199 Cb -0.14 -2.66 -0.00 0.00 0.50 0.00 0.00 46.19 43.89 1h4h s LEU 199 CO -0.05 0.04 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.70 1h4h s ARG 200 N 0.45 3.17 -0.23 1.98 0.52 0.93 -1.26 118.95 124.51 1h4h s ARG 200 Ca 0.25 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.66 1h4h s ARG 200 Cb -0.15 -2.46 0.03 0.00 0.52 0.00 0.00 34.95 32.89 1h4h s ARG 200 CO 0.10 0.15 -0.11 0.42 0.02 0.00 0.00 175.30 175.88 1h4h s ILE 201 N 0.46 2.51 -1.41 1.52 1.01 -0.80 -1.44 121.20 123.05 1h4h s ILE 201 Ca -0.13 -1.14 -0.08 0.00 0.00 0.00 0.00 60.65 59.30 1h4h s ILE 201 Cb -0.17 -2.26 0.04 0.00 0.01 0.00 0.00 42.46 40.08 1h4h s ILE 201 CO 0.06 0.24 0.96 0.59 0.00 0.00 0.00 174.94 176.78 1h4h n ASN 202 N 4.60 -3.96 0.00 3.58 3.02 0.12 -2.05 115.26 120.57 1h4h n ASN 202 Ca -0.17 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1h4h n ASN 202 Cb 0.47 -4.29 0.00 0.00 -0.61 0.00 0.00 39.78 35.34 1h4h n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h4h n GLY 203 N -1.68 3.05 3.60 7.41 0.00 -1.26 -5.01 105.19 111.30 1h4h n GLY 203 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1h4h n GLY 203 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h4h s ASN 204 N -0.83 6.23 0.23 1.61 0.02 -0.87 -4.96 114.94 116.38 1h4h s ASN 204 Ca 0.00 0.26 -0.32 0.00 -1.02 0.00 0.00 52.86 51.79 1h4h s ASN 204 Cb 0.00 -2.20 -0.13 0.00 0.02 0.00 0.00 41.25 38.94 1h4h s ASN 204 CO 0.00 -0.17 1.57 -2.65 0.02 0.00 0.00 177.10 175.87 1h4h n PRO 205 N 5.31 2.42 -1.55 -0.60 -0.02 -1.26 -1.90 135.00 137.41 1h4h n PRO 205 Ca -0.09 0.87 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 1h4h n PRO 205 Cb 0.51 -2.63 0.01 0.00 -0.02 0.00 0.00 33.50 31.37 1h4h n PRO 205 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1h4h n LEU 206 N 2.83 1.68 0.00 2.45 7.94 -0.39 -4.94 117.00 126.57 1h4h n LEU 206 Ca 0.13 0.96 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 1h4h n LEU 206 Cb 0.33 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.02 1h4h n LEU 206 CO 0.63 -2.09 0.00 -0.24 -1.11 0.00 0.00 177.39 174.58