#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 0.92 0.00 1.39 1.01 0.10 -5.00 120.40 118.82 1h4h s VAL 3 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1h4h s VAL 3 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1h4h s VAL 3 CO 0.00 0.33 0.74 0.35 0.00 0.00 0.00 175.10 176.52 1h4h n THR 4 N 4.98 0.54 -4.01 3.92 -2.24 -1.26 -1.03 114.28 115.18 1h4h n THR 4 Ca -0.11 -0.68 -0.10 0.00 -2.27 0.00 0.00 64.05 60.89 1h4h n THR 4 Cb 0.50 0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.54 -0.03 -0.07 3.42 -4.77 -1.26 -4.61 116.67 108.80 1h4h s ASP 5 Ca 0.00 -0.97 -0.40 0.00 -3.30 0.00 0.00 52.55 47.88 1h4h s ASP 5 Cb 0.00 0.52 -0.19 0.00 -1.09 0.00 0.00 42.92 42.16 1h4h s ASP 5 CO 0.00 -1.03 1.27 0.59 0.70 0.00 0.00 175.17 176.69 1h4h n ASN 6 N -0.32 0.77 -3.61 2.11 4.13 -1.26 -4.79 115.26 112.29 1h4h n ASN 6 Ca -0.03 1.15 -0.15 0.00 1.68 0.00 0.00 54.58 57.23 1h4h n ASN 6 Cb 0.63 -1.00 -0.07 0.00 -1.54 0.00 0.00 39.78 37.80 1h4h n ASN 6 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1h4h s SER 7 N 0.81 -0.65 -0.03 6.41 0.15 -0.89 -4.97 113.70 114.54 1h4h s SER 7 Ca 0.92 1.03 0.01 0.00 0.70 0.00 0.00 55.95 58.61 1h4h s SER 7 Cb -1.20 0.99 0.01 0.00 -1.71 0.00 0.00 66.02 64.11 1h4h s SER 7 CO 0.58 -0.38 -0.03 -0.63 1.20 0.00 0.00 173.24 173.98 1h4h s ILE 8 N -0.32 0.39 0.00 6.45 1.01 -1.26 -1.14 121.20 126.32 1h4h s ILE 8 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1h4h s ILE 8 Cb -0.03 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 42.04 1h4h s ILE 8 CO 0.04 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.76 1h4h n GLY 9 N 3.68 1.47 3.25 6.18 0.00 -1.04 -5.02 105.19 113.70 1h4h n GLY 9 Ca -0.22 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 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 0.17 2.94 -0.05 1.61 3.84 -1.26 -0.14 114.94 122.04 1h4h s ASN 10 Ca 0.00 -0.49 -0.01 0.00 0.21 0.00 0.00 52.86 52.57 1h4h s ASN 10 Cb 0.00 -0.78 0.03 0.00 -0.55 0.00 0.00 41.25 39.95 1h4h s ASN 10 CO 0.00 0.24 0.02 -2.28 -2.79 0.00 0.00 177.10 172.28 1h4h s HIS 11 N -0.17 0.42 -1.53 0.43 5.65 0.12 -4.82 115.29 115.40 1h4h s HIS 11 Ca -0.03 -0.01 -0.04 0.00 0.25 0.00 0.00 55.06 55.23 1h4h s HIS 11 Cb -0.13 -0.63 0.01 0.00 -1.18 0.00 0.00 32.58 30.65 1h4h s HIS 11 CO 0.03 -0.25 0.41 -3.47 -0.65 0.00 0.00 174.74 170.81 1h4h n ASP 12 N 4.98 -5.56 0.00 9.88 -0.08 -1.26 -1.70 116.55 122.81 1h4h n ASP 12 Ca -0.10 -0.20 0.00 0.00 -1.51 0.00 0.00 54.79 52.98 1h4h n ASP 12 Cb 0.50 -4.54 0.00 0.00 2.34 0.00 0.00 41.12 39.42 1h4h n ASP 12 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1h4h n GLY 13 N -1.30 1.50 3.78 0.27 0.00 -1.26 -4.36 105.19 103.81 1h4h n GLY 13 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.36 3.28 -0.31 1.61 1.51 -0.69 -4.82 117.35 115.57 1h4h s TYR 14 Ca 0.00 0.20 -0.25 0.00 -1.01 0.00 0.00 57.07 56.01 1h4h s TYR 14 Cb 0.00 -1.73 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 1h4h s TYR 14 CO 0.00 0.55 0.86 -0.51 -1.11 0.00 0.00 175.55 175.34 1h4h s ASP 15 N -1.76 6.74 0.28 2.29 1.01 -0.03 0.15 116.67 125.33 1h4h s ASP 15 Ca 0.23 0.77 0.07 0.00 0.71 0.00 0.00 52.55 54.33 1h4h s ASP 15 Cb -0.12 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1h4h s ASP 15 CO 0.14 -0.68 0.20 -0.72 0.21 0.00 0.00 175.17 174.32 1h4h s TYR 16 N 3.12 3.01 -0.09 4.23 1.13 0.80 -1.34 117.35 128.22 1h4h s TYR 16 Ca 0.36 -0.18 -0.10 0.00 -1.41 0.00 0.00 57.07 55.74 1h4h s TYR 16 Cb -0.14 -1.48 0.03 0.00 -1.10 0.00 0.00 41.96 39.27 1h4h s TYR 16 CO 0.13 0.44 0.28 -2.00 -2.51 0.00 0.00 175.55 171.89 1h4h s GLU 17 N -3.86 0.39 -0.19 -3.49 2.12 -0.69 -2.51 118.70 110.47 1h4h s GLU 17 Ca 0.35 0.26 -0.07 0.00 0.36 0.00 0.00 54.97 55.86 1h4h s GLU 17 Cb -0.07 0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.46 1h4h s GLU 17 CO 0.25 -0.07 0.06 0.12 -0.54 0.00 0.00 175.26 175.09 1h4h s PHE 18 N -0.17 3.23 -0.11 5.30 2.19 -0.29 -2.30 117.98 125.83 1h4h s PHE 18 Ca -0.03 0.03 -0.06 0.00 0.33 0.00 0.00 56.93 57.20 1h4h s PHE 18 Cb -0.03 -2.10 0.05 0.00 -1.31 0.00 0.00 43.02 39.63 1h4h s PHE 18 CO 0.01 0.10 0.27 -0.46 1.83 0.00 0.00 175.22 176.97 1h4h s TRP 19 N 0.51 -0.36 0.04 10.12 -0.00 -0.88 -2.09 118.94 126.28 1h4h s TRP 19 Ca 0.03 0.84 -0.12 0.00 -0.00 0.00 0.00 56.10 56.85 1h4h s TRP 19 Cb -0.13 0.08 0.01 0.00 -0.00 0.00 0.00 33.47 33.43 1h4h s TRP 19 CO 0.01 -0.24 0.25 -1.59 -0.00 0.00 0.00 176.95 175.38 1h4h s LYS 20 N 1.18 0.76 0.00 5.86 -2.85 -1.26 -1.00 119.74 122.43 1h4h s LYS 20 Ca -0.09 -0.58 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 1h4h s LYS 20 Cb -0.09 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 36.00 1h4h s LYS 20 CO -0.08 -0.24 0.00 -0.40 0.10 0.00 0.00 175.35 174.73 1h4h n ASP 21 N 0.59 0.00 -4.77 0.03 5.68 -0.94 -4.92 116.55 112.21 1h4h n ASP 21 Ca -0.18 -0.57 -0.38 0.00 -0.50 0.00 0.00 54.79 53.15 1h4h n ASP 21 Cb 0.59 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.51 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 7.40 0.00 -1.12 1.04 -1.26 -4.81 113.70 113.96 1h4h s SER 22 Ca 0.00 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.37 1h4h s SER 22 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1h4h s SER 22 CO 0.00 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1h4h n GLY 23 N 0.95 3.55 7.00 7.32 0.00 -1.26 -4.44 105.19 118.31 1h4h n GLY 23 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 0.00 0.73 3.28 -0.02 0.00 -1.18 -4.24 105.19 103.77 1h4h n GLY 24 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.18 0.01 1.61 1.04 -0.55 -4.91 113.70 106.72 1h4h s SER 25 Ca 0.00 -0.19 -0.02 0.00 0.48 0.00 0.00 55.95 56.23 1h4h s SER 25 Cb 0.00 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 1h4h s SER 25 CO 0.00 -0.69 0.01 -0.83 0.98 0.00 0.00 173.24 172.71 1h4h s GLY 26 N -2.25 0.17 -0.08 7.32 0.00 -1.26 -0.98 107.32 110.24 1h4h s GLY 26 Ca -0.03 -0.42 0.01 0.00 0.00 0.00 0.00 44.72 44.28 1h4h s GLY 26 CO -0.05 -0.50 -0.10 -1.59 0.00 0.00 0.00 173.10 170.85 1h4h s THR 27 N -1.28 1.09 -0.06 0.90 2.01 0.72 -4.36 115.64 114.67 1h4h s THR 27 Ca -0.14 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.50 1h4h s THR 27 Cb -0.08 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 1h4h s THR 27 CO -0.00 0.36 -0.18 -0.32 -0.69 0.00 0.00 174.62 173.78 1h4h s MET 28 N 1.06 2.60 -0.21 4.92 0.00 -0.20 -1.08 119.30 126.39 1h4h s MET 28 Ca -0.07 -0.78 -0.00 0.00 0.00 0.00 0.00 55.69 54.84 1h4h s MET 28 Cb -0.15 -2.32 0.02 0.00 0.00 0.00 0.00 34.83 32.39 1h4h s MET 28 CO -0.01 0.49 -0.13 0.42 0.00 0.00 0.00 175.02 175.79 1h4h s ILE 29 N -0.41 2.47 -0.17 10.11 1.01 -0.11 -0.72 121.20 133.37 1h4h s ILE 29 Ca 0.04 -0.97 -0.29 0.00 0.00 0.00 0.00 60.65 59.43 1h4h s ILE 29 Cb -0.12 -2.15 -0.00 0.00 0.01 0.00 0.00 42.46 40.19 1h4h s ILE 29 CO 0.02 0.38 1.10 -0.76 0.00 0.00 0.00 174.94 175.67 1h4h s LEU 30 N 1.31 4.16 0.00 2.97 1.43 -1.26 -1.81 118.68 125.48 1h4h s LEU 30 Ca 0.02 1.52 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 1h4h s LEU 30 Cb -0.15 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.53 1h4h s LEU 30 CO -0.09 -0.64 0.00 0.59 0.23 0.00 0.00 176.35 176.45 1h4h n ASN 31 N 6.02 1.59 -4.75 2.29 5.03 -0.84 -4.93 115.26 119.66 1h4h n ASN 31 Ca 0.12 -0.96 -0.37 0.00 0.87 0.00 0.00 54.58 54.24 1h4h n ASN 31 Cb 0.46 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.26 1h4h n ASN 31 CO 0.00 0.00 0.00 -1.38 -1.83 0.00 0.00 177.26 174.05 1h4h s HIS 32 N -0.52 2.39 0.00 3.10 -3.43 -1.26 -4.28 115.29 111.28 1h4h s HIS 32 Ca 0.00 1.48 0.00 0.00 -0.80 0.00 0.00 55.06 55.74 1h4h s HIS 32 Cb 0.00 -3.57 0.00 0.00 -1.43 0.00 0.00 32.58 27.58 1h4h s HIS 32 CO 0.00 -2.37 0.00 0.41 -2.00 0.00 0.00 174.74 170.78 1h4h n GLY 33 N 0.60 3.31 0.41 -1.38 0.00 -1.26 -1.03 105.19 105.84 1h4h n GLY 33 Ca 0.12 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.04 3.88 -0.02 0.00 -1.23 -4.57 105.19 103.21 1h4h n GLY 34 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.83 4.79 -0.07 2.61 -4.23 -0.20 -4.66 115.64 112.06 1h4h s THR 35 Ca 0.30 0.58 -0.30 0.00 -1.18 0.00 0.00 61.69 61.08 1h4h s THR 35 Cb 0.15 -3.79 0.11 0.00 1.34 0.00 0.00 72.50 70.31 1h4h s THR 35 CO 0.24 -0.73 0.97 0.72 -0.54 0.00 0.00 174.62 175.27 1h4h s PHE 36 N -2.63 -0.31 0.24 3.99 -0.12 -0.95 -1.98 117.98 116.22 1h4h s PHE 36 Ca 0.51 0.26 0.11 0.00 -0.05 0.00 0.00 56.93 57.76 1h4h s PHE 36 Cb -0.10 0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 42.76 1h4h s PHE 36 CO 0.39 -0.44 -0.18 -1.54 -0.05 0.00 0.00 175.22 173.40 1h4h s SER 37 N -2.19 3.74 0.00 1.98 1.04 -0.75 0.22 113.70 117.74 1h4h s SER 37 Ca 0.05 -0.88 -0.01 0.00 0.48 0.00 0.00 55.95 55.59 1h4h s SER 37 Cb -0.01 -0.40 -0.01 0.00 0.10 0.00 0.00 66.02 65.70 1h4h s SER 37 CO -0.06 0.07 0.01 0.00 0.98 0.00 0.00 173.24 174.23 1h4h s ALA 38 N -2.14 0.00 -0.07 5.32 0.00 0.91 -0.94 121.76 124.85 1h4h s ALA 38 Ca 0.27 -0.24 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 1h4h s ALA 38 Cb -0.06 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1h4h s ALA 38 CO 0.14 -0.09 0.18 -1.14 0.00 0.00 0.00 175.76 174.85 1h4h s GLN 39 N -0.73 0.20 0.03 0.00 0.74 -0.24 -0.23 119.66 119.44 1h4h s GLN 39 Ca -0.08 0.26 -0.04 0.00 0.05 0.00 0.00 55.36 55.55 1h4h s GLN 39 Cb -0.05 0.08 -0.01 0.00 1.10 0.00 0.00 33.01 34.13 1h4h s GLN 39 CO -0.00 -0.04 0.06 1.67 -0.55 0.00 0.00 175.29 176.43 1h4h s TRP 40 N 0.18 0.21 -0.15 1.67 -2.14 -0.25 -0.20 118.94 118.27 1h4h s TRP 40 Ca -0.01 -0.49 -0.06 0.00 2.66 0.00 0.00 56.10 58.21 1h4h s TRP 40 Cb -0.02 -0.16 0.07 0.00 -3.10 0.00 0.00 33.47 30.26 1h4h s TRP 40 CO -0.00 -0.31 0.31 1.21 -2.66 0.00 0.00 176.95 175.50 1h4h s ASN 41 N -1.89 0.07 -1.47 -2.66 3.04 -0.15 -1.20 114.94 110.67 1h4h s ASN 41 Ca -0.09 0.71 -0.12 0.00 0.04 0.00 0.00 52.86 53.41 1h4h s ASN 41 Cb -0.04 0.84 0.06 0.00 -1.54 0.00 0.00 41.25 40.57 1h4h s ASN 41 CO -0.03 -0.23 0.99 0.59 -3.04 0.00 0.00 177.10 175.39 1h4h n ASN 42 N 5.17 -5.35 -4.95 -4.21 3.02 -1.04 -1.48 115.26 106.42 1h4h n ASN 42 Ca -0.10 -0.65 -0.23 0.00 -0.03 0.00 0.00 54.58 53.57 1h4h n ASN 42 Cb 0.50 -4.26 0.03 0.00 -0.61 0.00 0.00 39.78 35.45 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 -3.27 3.25 -0.12 2.41 -7.23 -1.05 -3.07 120.40 111.31 1h4h s VAL 43 Ca 0.61 -0.42 -0.09 0.00 -1.81 0.00 0.00 61.98 60.26 1h4h s VAL 43 Cb -0.29 -3.25 -0.03 0.00 0.56 0.00 0.00 36.38 33.37 1h4h s VAL 43 CO 0.75 -0.20 -0.18 -3.20 -0.31 0.00 0.00 175.10 171.95 1h4h n ASN 44 N -2.38 1.50 -3.83 4.85 5.15 -1.26 -2.61 115.26 116.67 1h4h n ASN 44 Ca 0.05 0.49 -0.13 0.00 -0.60 0.00 0.00 54.58 54.40 1h4h n ASN 44 Cb 0.59 -0.78 -0.14 0.00 -0.53 0.00 0.00 39.78 38.92 1h4h n ASN 44 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1h4h s ASN 45 N -5.38 -0.02 -0.05 1.20 3.04 -1.26 -0.59 114.94 111.87 1h4h s ASN 45 Ca -0.15 0.08 -0.11 0.00 0.04 0.00 0.00 52.86 52.72 1h4h s ASN 45 Cb 0.02 0.05 0.02 0.00 -1.54 0.00 0.00 41.25 39.80 1h4h s ASN 45 CO 0.22 -0.04 0.26 -0.51 -3.04 0.00 0.00 177.10 173.99 1h4h s ILE 46 N 0.30 0.04 -0.01 -5.21 2.07 -0.67 -2.22 121.20 115.51 1h4h s ILE 46 Ca -0.02 -0.31 0.04 0.00 -1.41 0.00 0.00 60.65 58.94 1h4h s ILE 46 Cb -0.03 -0.48 -0.01 0.00 0.13 0.00 0.00 42.46 42.07 1h4h s ILE 46 CO -0.01 -0.17 -0.12 -0.76 -1.91 0.00 0.00 174.94 171.97 1h4h s LEU 47 N -0.69 2.02 -0.02 8.50 1.02 -0.17 -0.87 118.68 128.47 1h4h s LEU 47 Ca -0.08 -0.22 0.04 0.00 0.02 0.00 0.00 54.13 53.89 1h4h s LEU 47 Cb -0.04 -0.61 -0.01 0.00 0.02 0.00 0.00 46.19 45.55 1h4h s LEU 47 CO 0.02 0.15 -0.13 -0.36 0.02 0.00 0.00 176.35 176.05 1h4h s PHE 48 N -0.28 1.21 0.03 0.29 0.40 0.56 -2.07 117.98 118.12 1h4h s PHE 48 Ca 0.05 -0.27 -0.27 0.00 -0.60 0.00 0.00 56.93 55.83 1h4h s PHE 48 Cb -0.05 -0.80 0.09 0.00 0.51 0.00 0.00 43.02 42.78 1h4h s PHE 48 CO -0.00 -0.06 0.82 -0.98 0.70 0.00 0.00 175.22 175.69 1h4h s ARG 49 N -0.13 0.93 -0.04 0.44 1.70 -0.97 -0.01 118.95 120.87 1h4h s ARG 49 Ca 0.02 -0.31 -0.01 0.00 -0.47 0.00 0.00 55.73 54.95 1h4h s ARG 49 Cb -0.07 0.43 0.03 0.00 -0.57 0.00 0.00 34.95 34.77 1h4h s ARG 49 CO 0.00 -0.40 0.07 0.21 -1.08 0.00 0.00 175.30 174.10 1h4h s LYS 50 N -3.16 -0.01 0.00 3.89 2.20 -0.67 -1.71 119.74 120.28 1h4h s LYS 50 Ca 0.03 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 1h4h s LYS 50 Cb -0.01 -0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.04 1h4h s LYS 50 CO -0.09 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.11 1h4h n GLY 51 N 4.42 1.21 2.87 5.54 0.00 -0.45 -2.52 105.19 116.26 1h4h n GLY 51 Ca -0.23 0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 3.60 0.65 0.04 1.61 2.47 -0.40 -0.85 119.74 126.86 1h4h s LYS 52 Ca 0.00 -0.06 -0.15 0.00 -1.56 0.00 0.00 55.97 54.21 1h4h s LYS 52 Cb 0.00 -0.71 -0.06 0.00 -1.46 0.00 0.00 37.83 35.60 1h4h s LYS 52 CO 0.00 -0.09 0.45 0.15 0.16 0.00 0.00 175.35 176.02 1h4h s LYS 53 N 0.89 3.94 0.44 4.03 1.02 -1.26 -1.84 119.74 126.96 1h4h s LYS 53 Ca -0.11 0.44 0.06 0.00 0.02 0.00 0.00 55.97 56.37 1h4h s LYS 53 Cb -0.14 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 1h4h s LYS 53 CO -0.00 0.64 0.08 -0.06 -0.92 0.00 0.00 175.35 175.08 1h4h s PHE 54 N -1.18 2.35 -0.39 3.18 0.08 0.20 -4.94 117.98 117.28 1h4h s PHE 54 Ca 0.28 -0.72 0.05 0.00 0.12 0.00 0.00 56.93 56.66 1h4h s PHE 54 Cb -0.16 -1.80 0.46 0.00 -0.57 0.00 0.00 43.02 40.94 1h4h s PHE 54 CO 0.16 0.27 1.44 0.27 -0.10 0.00 0.00 175.22 177.26 1h4h n ASN 55 N -1.16 3.68 -2.65 1.36 0.23 -1.26 -4.65 115.26 110.80 1h4h n ASN 55 Ca -0.07 -2.81 -0.21 0.00 -0.53 0.00 0.00 54.58 50.97 1h4h n ASN 55 Cb 0.66 -0.67 0.02 0.00 -2.08 0.00 0.00 39.78 37.71 1h4h n ASN 55 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1h4h n GLU 56 N -0.12 -3.55 0.00 -3.83 1.02 -1.04 -4.87 120.64 108.25 1h4h n GLU 56 Ca 0.28 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 58.33 1h4h n GLU 56 Cb 1.06 -5.61 0.00 0.00 -0.02 0.00 0.00 31.44 26.86 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 -4.30 0.00 -4.71 2.62 -2.24 -1.26 -4.86 114.28 99.52 1h4h n THR 57 Ca -0.16 -0.19 -0.32 0.00 -2.27 0.00 0.00 64.05 61.12 1h4h n THR 57 Cb 0.64 0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.99 2.37 0.87 -0.78 -0.21 -1.26 -4.98 119.66 114.68 1h4h s GLN 58 Ca 0.00 -0.80 -0.11 0.00 0.02 0.00 0.00 55.36 54.47 1h4h s GLN 58 Cb 0.00 -2.34 0.12 0.00 1.00 0.00 0.00 33.01 31.78 1h4h s GLN 58 CO 0.00 0.59 1.09 0.95 -2.12 0.00 0.00 175.29 175.80 1h4h s THR 59 N -0.86 2.78 0.23 -0.19 -4.23 -1.26 -0.63 115.64 111.47 1h4h s THR 59 Ca 0.14 0.25 -0.07 0.00 -1.18 0.00 0.00 61.69 60.83 1h4h s THR 59 Cb -0.11 -2.70 0.18 0.00 1.34 0.00 0.00 72.50 71.21 1h4h s THR 59 CO 0.04 -0.33 1.75 1.12 -0.54 0.00 0.00 174.62 176.66 1h4h h HIS 60 N -1.49 0.50 -0.41 3.99 -0.00 -1.95 -0.79 115.15 115.01 1h4h h HIS 60 Ca -0.48 0.03 0.08 0.00 -0.00 0.00 0.00 60.37 60.00 1h4h h HIS 60 Cb 1.27 -0.12 -0.07 0.00 -0.00 0.00 0.00 27.41 28.49 1h4h h HIS 60 CO 0.46 0.12 -0.08 1.96 -0.00 0.00 0.00 177.93 180.39 1h4h h GLN 61 N 0.47 0.02 -0.20 5.12 7.50 -1.92 -0.29 115.11 125.81 1h4h h GLN 61 Ca 0.36 -0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.47 1h4h h GLN 61 Cb 0.48 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.99 1h4h h GLN 61 CO -0.34 0.01 -0.05 1.96 -1.50 0.00 0.00 178.83 178.91 1h4h h GLN 62 N 0.02 0.31 -0.16 1.46 4.20 -1.54 -2.53 115.11 116.87 1h4h h GLN 62 Ca 0.20 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 1h4h h GLN 62 Cb 0.30 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1h4h h GLN 62 CO -0.40 0.38 -0.02 0.28 -0.67 0.00 0.00 178.83 178.39 1h4h h VAL 63 N 0.30 1.28 0.00 -0.54 2.07 -0.66 -3.48 116.25 115.21 1h4h h VAL 63 Ca 0.07 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1h4h h VAL 63 Cb 0.29 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1h4h h VAL 63 CO 0.01 0.28 0.00 0.61 0.02 0.00 0.00 177.57 178.49 1h4h n GLY 64 N -0.19 0.83 3.72 2.17 0.00 -0.18 -4.82 105.19 106.73 1h4h n GLY 64 Ca -0.05 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.27 1h4h n GLY 64 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h4h s ASN 65 N -0.46 6.56 -0.14 1.61 2.47 -1.26 -4.74 114.94 118.98 1h4h s ASN 65 Ca 0.00 2.67 0.01 0.00 0.42 0.00 0.00 52.86 55.97 1h4h s ASN 65 Cb 0.00 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 1h4h s ASN 65 CO 0.00 -0.84 -0.18 -0.04 -3.72 0.00 0.00 177.10 172.32 1h4h s MET 66 N 0.91 3.15 -0.03 0.43 -1.94 -1.26 -0.42 119.30 120.14 1h4h s MET 66 Ca 0.69 -0.79 -0.02 0.00 -1.71 0.00 0.00 55.69 53.86 1h4h s MET 66 Cb -0.44 -2.52 0.01 0.00 2.01 0.00 0.00 34.83 33.89 1h4h s MET 66 CO 0.33 0.06 0.07 0.45 -0.01 0.00 0.00 175.02 175.92 1h4h s SER 67 N 0.68 -0.06 -0.11 3.03 0.15 -0.69 -1.85 113.70 114.86 1h4h s SER 67 Ca -0.09 0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.75 1h4h s SER 67 Cb -0.16 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 1h4h s SER 67 CO 0.02 -0.06 -0.23 -0.63 1.20 0.00 0.00 173.24 173.53 1h4h s ILE 68 N 0.36 2.04 -0.25 6.45 1.01 -0.52 -0.41 121.20 129.88 1h4h s ILE 68 Ca -0.03 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.54 1h4h s ILE 68 Cb -0.04 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1h4h s ILE 68 CO -0.01 0.55 0.11 0.21 0.00 0.00 0.00 174.94 175.80 1h4h s ASN 69 N 0.44 5.45 0.29 3.58 3.84 -0.45 0.77 114.94 128.86 1h4h s ASN 69 Ca -0.17 -0.12 -0.01 0.00 0.21 0.00 0.00 52.86 52.77 1h4h s ASN 69 Cb -0.17 -1.99 -0.02 0.00 -0.55 0.00 0.00 41.25 38.52 1h4h s ASN 69 CO 0.07 -0.03 0.35 -0.72 -2.79 0.00 0.00 177.10 173.98 1h4h s TYR 70 N 1.58 1.15 -0.28 0.43 1.13 -0.47 -0.70 117.35 120.19 1h4h s TYR 70 Ca 0.06 -1.32 -0.23 0.00 -1.41 0.00 0.00 57.07 54.17 1h4h s TYR 70 Cb -0.15 -0.30 0.11 0.00 -1.10 0.00 0.00 41.96 40.52 1h4h s TYR 70 CO 0.06 -0.94 0.94 0.20 -2.51 0.00 0.00 175.55 173.30 1h4h s GLY 71 N -3.22 -0.24 -0.00 5.49 0.00 -0.18 -1.41 107.32 107.75 1h4h s GLY 71 Ca 0.34 2.59 -0.06 0.00 0.00 0.00 0.00 44.72 47.59 1h4h s GLY 71 CO 0.19 1.95 0.12 0.00 0.00 0.00 0.00 173.10 175.35 1h4h s ALA 72 N 0.49 -0.28 -0.48 3.20 0.00 -0.38 -0.90 121.76 123.40 1h4h s ALA 72 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 51.96 51.64 1h4h s ALA 72 Cb -0.05 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.20 1h4h s ALA 72 CO -0.07 -0.19 0.60 1.21 0.00 0.00 0.00 175.76 177.31 1h4h s ASN 73 N -1.25 6.23 -0.30 0.00 2.47 0.39 -4.78 114.94 117.70 1h4h s ASN 73 Ca -0.13 -0.82 -0.07 0.00 0.42 0.00 0.00 52.86 52.26 1h4h s ASN 73 Cb -0.07 -2.28 0.01 0.00 -1.45 0.00 0.00 41.25 37.45 1h4h s ASN 73 CO 0.01 -0.83 0.09 0.12 -3.72 0.00 0.00 177.10 172.77 1h4h s PHE 74 N 2.56 3.16 -0.55 0.43 5.36 -1.26 -0.93 117.98 126.74 1h4h s PHE 74 Ca 0.15 -0.95 0.07 0.00 -0.96 0.00 0.00 56.93 55.24 1h4h s PHE 74 Cb -0.18 -2.27 0.27 0.00 -0.34 0.00 0.00 43.02 40.50 1h4h s PHE 74 CO 0.13 -0.57 0.73 1.04 -1.46 0.00 0.00 175.22 175.09 1h4h n GLN 75 N 4.88 2.10 -2.08 10.12 1.13 0.11 -5.02 117.38 128.62 1h4h n GLN 75 Ca -0.14 -4.26 -0.36 0.00 -1.94 0.00 0.00 57.00 50.30 1h4h n GLN 75 Cb 0.48 -1.96 0.02 0.00 0.11 0.00 0.00 30.24 28.89 1h4h n GLN 75 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1h4h s PRO 76 N -2.33 3.08 -0.05 -1.09 0.04 -1.26 -2.40 135.00 130.99 1h4h s PRO 76 Ca 0.40 1.76 0.12 0.00 0.04 0.00 0.00 61.00 63.33 1h4h s PRO 76 Cb 0.19 -1.95 0.37 0.00 0.04 0.00 0.00 34.50 33.15 1h4h s PRO 76 CO -0.06 -1.10 1.30 -1.71 0.04 0.00 0.00 177.00 175.47 1h4h n ASN 77 N -1.52 3.19 0.00 6.66 4.05 0.06 -4.93 115.26 122.78 1h4h n ASN 77 Ca 0.13 -2.28 0.00 0.00 0.45 0.00 0.00 54.58 52.88 1h4h n ASN 77 Cb 0.50 -0.32 0.00 0.00 1.23 0.00 0.00 39.78 41.19 1h4h n ASN 77 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1h4h n GLY 78 N 0.24 1.26 3.75 8.20 0.00 -1.25 -4.76 105.19 112.63 1h4h n GLY 78 Ca 0.14 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 2.00 7.16 -0.24 1.61 0.01 -1.25 -3.66 114.94 120.57 1h4h s ASN 79 Ca 0.00 2.28 -0.36 0.00 -0.71 0.00 0.00 52.86 54.07 1h4h s ASN 79 Cb 0.00 -2.62 0.15 0.00 0.41 0.00 0.00 41.25 39.19 1h4h s ASN 79 CO 0.00 -0.26 1.30 0.00 -1.51 0.00 0.00 177.10 176.63 1h4h s ALA 80 N -0.74 -2.14 0.01 0.60 0.00 -1.26 -1.64 121.76 116.59 1h4h s ALA 80 Ca 0.48 1.77 0.03 0.00 0.00 0.00 0.00 51.96 54.24 1h4h s ALA 80 Cb -0.33 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1h4h s ALA 80 CO 0.40 -0.55 -0.08 0.71 0.00 0.00 0.00 175.76 176.24 1h4h s TYR 81 N -2.14 0.72 -0.34 0.00 2.02 0.36 -2.08 117.35 115.89 1h4h s TYR 81 Ca 0.10 -0.22 -0.06 0.00 -0.37 0.00 0.00 57.07 56.53 1h4h s TYR 81 Cb -0.01 -0.45 0.04 0.00 -0.40 0.00 0.00 41.96 41.14 1h4h s TYR 81 CO -0.04 -0.02 0.10 -1.17 -1.57 0.00 0.00 175.55 172.85 1h4h s LEU 82 N -0.55 4.29 0.00 -1.29 2.96 -0.60 -1.68 118.68 121.81 1h4h s LEU 82 Ca 0.00 -1.16 -0.04 0.00 -0.22 0.00 0.00 54.13 52.72 1h4h s LEU 82 Cb -0.05 -1.85 0.02 0.00 0.50 0.00 0.00 46.19 44.80 1h4h s LEU 82 CO 0.00 -0.32 0.52 0.00 -1.32 0.00 0.00 176.35 175.23 1h4h s VAL 84 N -2.70 4.41 0.04 0.00 1.01 -0.44 -0.28 120.40 122.44 1h4h s VAL 84 Ca 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1h4h s VAL 84 Cb -0.02 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1h4h s VAL 84 CO 0.19 0.52 -0.02 -0.47 0.00 0.00 0.00 175.10 175.31 1h4h s TYR 85 N -0.03 0.43 0.00 5.22 6.14 -0.12 -0.58 117.35 128.42 1h4h s TYR 85 Ca 0.04 -0.90 0.00 0.00 0.64 0.00 0.00 57.07 56.85 1h4h s TYR 85 Cb -0.13 -0.32 0.00 0.00 0.42 0.00 0.00 41.96 41.93 1h4h s TYR 85 CO 0.02 -0.33 0.00 0.41 0.64 0.00 0.00 175.55 176.29 1h4h n GLY 86 N 0.55 0.54 2.98 8.97 0.00 -0.82 -0.79 105.19 116.63 1h4h n GLY 86 Ca -0.17 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.27 0.16 0.46 1.61 0.52 -1.02 -0.76 118.94 117.64 1h4h s TRP 87 Ca 0.00 -0.33 0.04 0.00 0.02 0.00 0.00 56.10 55.83 1h4h s TRP 87 Cb 0.00 -0.12 -0.05 0.00 -1.15 0.00 0.00 33.47 32.15 1h4h s TRP 87 CO 0.00 -0.16 0.02 0.95 0.02 0.00 0.00 176.95 177.77 1h4h s THR 88 N -1.10 1.60 0.01 2.01 -4.23 -0.25 -0.83 115.64 112.85 1h4h s THR 88 Ca -0.12 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.44 1h4h s THR 88 Cb -0.07 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 1h4h s THR 88 CO -0.00 0.00 -0.12 0.68 -0.54 0.00 0.00 174.62 174.63 1h4h s VAL 89 N -2.79 0.97 -0.95 2.29 -7.23 -0.03 -2.49 120.40 110.17 1h4h s VAL 89 Ca 0.21 -0.73 -0.07 0.00 -1.81 0.00 0.00 61.98 59.58 1h4h s VAL 89 Cb 0.06 -0.85 -0.03 0.00 0.56 0.00 0.00 36.38 36.12 1h4h s VAL 89 CO 0.11 0.12 0.79 -0.67 -0.31 0.00 0.00 175.10 175.14 1h4h n ASP 90 N 2.36 -6.55 -4.91 4.85 2.03 -1.26 -0.54 116.55 112.54 1h4h n ASP 90 Ca -0.16 -0.60 -0.27 0.00 0.52 0.00 0.00 54.79 54.28 1h4h n ASP 90 Cb 0.55 -4.47 -0.00 0.00 -0.72 0.00 0.00 41.12 36.49 1h4h n ASP 90 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1h4h s PRO 91 N -4.38 3.54 -0.42 -0.67 0.04 -1.26 -4.31 135.00 127.55 1h4h s PRO 91 Ca 0.27 0.18 -0.29 0.00 0.04 0.00 0.00 61.00 61.20 1h4h s PRO 91 Cb -0.06 -2.39 0.02 0.00 0.04 0.00 0.00 34.50 32.12 1h4h s PRO 91 CO 0.79 -0.19 1.12 -1.17 0.04 0.00 0.00 177.00 177.59 1h4h s LEU 92 N -4.72 3.75 -0.01 -3.56 2.96 -1.26 -3.99 118.68 111.84 1h4h s LEU 92 Ca 0.47 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 55.08 1h4h s LEU 92 Cb -0.10 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.05 1h4h s LEU 92 CO 0.44 -1.11 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.66 1h4h s VAL 93 N 4.16 0.14 -0.11 1.68 1.01 -1.04 -3.84 120.40 122.41 1h4h s VAL 93 Ca 0.47 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 1h4h s VAL 93 Cb -0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 1h4h s VAL 93 CO 0.26 0.08 0.24 0.00 0.00 0.00 0.00 175.10 175.68 1h4h s ALA 94 N 0.44 3.74 0.11 5.51 0.00 -1.03 -1.09 121.76 129.43 1h4h s ALA 94 Ca -0.04 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.47 1h4h s ALA 94 Cb -0.07 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1h4h s ALA 94 CO -0.01 0.40 -0.11 1.52 0.00 0.00 0.00 175.76 177.56 1h4h s TYR 95 N -0.50 1.17 -0.01 0.00 -0.85 0.06 -2.02 117.35 115.21 1h4h s TYR 95 Ca 0.17 -0.66 0.00 0.00 -0.52 0.00 0.00 57.07 56.06 1h4h s TYR 95 Cb -0.13 -0.62 0.01 0.00 0.38 0.00 0.00 41.96 41.59 1h4h s TYR 95 CO 0.06 0.04 0.00 0.71 -1.52 0.00 0.00 175.55 174.84 1h4h s TYR 96 N -2.57 0.03 -0.39 -3.49 1.51 0.11 -1.94 117.35 110.61 1h4h s TYR 96 Ca 0.08 0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.19 1h4h s TYR 96 Cb -0.02 -0.07 0.11 0.00 -0.11 0.00 0.00 41.96 41.87 1h4h s TYR 96 CO 0.01 -0.02 0.13 0.42 -1.11 0.00 0.00 175.55 174.97 1h4h s ILE 97 N 0.25 2.59 -0.25 2.71 1.01 0.25 -1.54 121.20 126.22 1h4h s ILE 97 Ca -0.02 -2.44 -0.15 0.00 0.00 0.00 0.00 60.65 58.04 1h4h s ILE 97 Cb -0.03 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1h4h s ILE 97 CO -0.01 -0.66 0.36 -0.69 0.00 0.00 0.00 174.94 173.95 1h4h s VAL 98 N 0.76 5.19 -0.10 2.92 1.01 0.78 -1.33 120.40 129.62 1h4h s VAL 98 Ca 0.11 0.57 0.17 0.00 0.00 0.00 0.00 61.98 62.83 1h4h s VAL 98 Cb -0.21 -3.69 -0.25 0.00 0.00 0.00 0.00 36.38 32.24 1h4h s VAL 98 CO -0.06 0.19 0.22 0.47 0.00 0.00 0.00 175.10 175.92 1h4h n ASP 99 N 5.11 0.78 -3.90 3.32 9.92 -0.82 -1.10 116.55 129.85 1h4h n ASP 99 Ca -0.09 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.08 1h4h n ASP 99 Cb 0.51 1.35 -0.07 0.00 -0.64 0.00 0.00 41.12 42.26 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 -4.66 0.09 0.34 -2.24 0.15 -1.07 -1.57 113.70 104.75 1h4h s SER 100 Ca -0.08 -0.74 -0.07 0.00 0.70 0.00 0.00 55.95 55.77 1h4h s SER 100 Cb 0.08 0.38 0.01 0.00 -1.71 0.00 0.00 66.02 64.78 1h4h s SER 100 CO 0.73 -0.79 0.55 -1.66 1.20 0.00 0.00 173.24 173.27 1h4h s TRP 101 N -3.90 0.75 0.00 3.44 -2.14 -1.26 -1.56 118.94 114.26 1h4h s TRP 101 Ca 0.10 -1.10 0.00 0.00 2.66 0.00 0.00 56.10 57.75 1h4h s TRP 101 Cb 0.04 0.18 0.00 0.00 -3.10 0.00 0.00 33.47 30.59 1h4h s TRP 101 CO -0.07 -1.23 0.00 0.41 -2.66 0.00 0.00 176.95 173.40 1h4h n GLY 102 N -0.54 0.58 0.13 3.67 0.00 -0.88 -4.93 105.19 103.22 1h4h n GLY 102 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 1h4h n GLY 102 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1h4h h ASN 103 N 0.00 0.00 -3.30 1.61 4.21 -1.89 -3.45 115.58 112.76 1h4h h ASN 103 Ca 0.00 0.00 -0.66 0.00 1.21 0.00 0.00 56.30 56.85 1h4h h ASN 103 Cb 0.00 0.00 -0.29 0.00 -1.12 0.00 0.00 38.32 36.91 1h4h h ASN 103 CO 0.00 0.49 -0.78 0.86 -1.29 0.00 0.00 177.43 176.71 1h4h s TRP 104 N -2.97 2.84 -0.40 1.19 -0.00 -1.26 -5.09 118.94 113.24 1h4h s TRP 104 Ca 0.02 -0.97 -0.29 0.00 -0.00 0.00 0.00 56.10 54.86 1h4h s TRP 104 Cb 0.08 -1.94 0.02 0.00 -0.00 0.00 0.00 33.47 31.63 1h4h s TRP 104 CO 0.77 -0.46 1.20 0.50 -0.00 0.00 0.00 176.95 178.95 1h4h s ARG 105 N 0.92 3.81 0.86 5.86 3.52 -1.26 -4.87 118.95 127.78 1h4h s ARG 105 Ca -0.03 0.86 -0.11 0.00 -0.13 0.00 0.00 55.73 56.31 1h4h s ARG 105 Cb -0.15 -3.88 0.11 0.00 -1.56 0.00 0.00 34.95 29.46 1h4h s ARG 105 CO -0.01 -1.26 1.09 -1.25 -0.81 0.00 0.00 175.30 173.07 1h4h s PRO 106 N 4.31 1.58 -0.13 5.12 0.04 -1.26 -4.25 135.00 140.40 1h4h s PRO 106 Ca 0.51 0.76 0.15 0.00 0.04 0.00 0.00 61.00 62.46 1h4h s PRO 106 Cb -0.11 -1.85 0.45 0.00 0.04 0.00 0.00 34.50 33.03 1h4h s PRO 106 CO 0.27 -2.00 1.36 -0.35 0.04 0.00 0.00 177.00 176.31 1h4h n PRO 107 N -3.71 2.83 -1.17 0.56 -0.04 -1.26 -4.90 135.00 127.30 1h4h n PRO 107 Ca 0.07 -2.61 -0.01 0.00 -0.04 0.00 0.00 63.50 60.91 1h4h n PRO 107 Cb 0.56 -1.67 -0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.32 0.45 2.33 0.55 0.00 -1.26 -5.06 105.19 101.89 1h4h n GLY 108 Ca 0.18 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 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 0.73 0.30 -2.68 4.61 0.00 -1.26 -5.11 120.51 117.10 1h4h n ALA 109 Ca -0.01 -1.45 -0.42 0.00 0.00 0.00 0.00 53.44 51.56 1h4h n ALA 109 Cb 0.10 0.77 -0.03 0.00 0.00 0.00 0.00 19.45 20.30 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 -2.12 4.81 0.35 0.00 2.01 -1.26 -5.02 115.64 114.41 1h4h s THR 110 Ca 0.02 1.88 -0.29 0.00 0.31 0.00 0.00 61.69 63.62 1h4h s THR 110 Cb -0.00 -4.24 -0.11 0.00 0.01 0.00 0.00 72.50 68.16 1h4h s THR 110 CO 0.01 0.00 1.43 -2.16 -0.69 0.00 0.00 174.62 173.21 1h4h s PRO 111 N 2.15 4.21 0.03 4.92 0.04 -1.26 -4.76 135.00 140.33 1h4h s PRO 111 Ca 0.44 2.43 0.24 0.00 0.04 0.00 0.00 61.00 64.15 1h4h s PRO 111 Cb -0.17 -3.02 0.20 0.00 0.04 0.00 0.00 34.50 31.56 1h4h s PRO 111 CO 0.15 -0.41 1.18 1.63 0.04 0.00 0.00 177.00 179.58 1h4h n LYS 112 N 0.79 0.14 -3.58 4.56 5.02 0.14 -4.99 118.16 120.26 1h4h n LYS 112 Ca 0.01 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1h4h n LYS 112 Cb 0.40 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 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 1.43 -1.01 3.00 0.72 0.00 -1.24 -4.98 105.19 103.12 1h4h n GLY 113 Ca 0.04 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 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 0.06 -0.03 2.61 -4.23 -1.26 -1.51 115.64 108.28 1h4h s THR 114 Ca 0.00 -0.52 0.03 0.00 -1.18 0.00 0.00 61.69 60.03 1h4h s THR 114 Cb 0.00 -0.25 -0.00 0.00 1.34 0.00 0.00 72.50 73.59 1h4h s THR 114 CO 0.00 -0.28 -0.13 -0.51 -0.54 0.00 0.00 174.62 173.16 1h4h s ILE 115 N -0.89 1.06 -0.34 2.99 2.07 -0.27 -4.95 121.20 120.88 1h4h s ILE 115 Ca -0.10 -0.52 -0.10 0.00 -1.41 0.00 0.00 60.65 58.52 1h4h s ILE 115 Cb -0.06 -0.92 0.01 0.00 0.13 0.00 0.00 42.46 41.62 1h4h s ILE 115 CO 0.00 0.32 0.17 -0.89 -1.91 0.00 0.00 174.94 172.63 1h4h s THR 116 N 0.08 4.53 0.15 4.00 2.01 -1.26 -0.62 115.64 124.53 1h4h s THR 116 Ca -0.02 -0.63 -0.23 0.00 0.31 0.00 0.00 61.69 61.11 1h4h s THR 116 Cb -0.09 -3.41 0.07 0.00 0.01 0.00 0.00 72.50 69.08 1h4h s THR 116 CO 0.01 -0.06 0.61 0.54 -0.69 0.00 0.00 174.62 175.03 1h4h s VAL 117 N 1.58 0.00 -1.41 3.82 0.11 -0.88 -4.97 120.40 118.64 1h4h s VAL 117 Ca 0.03 -0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.97 1h4h s VAL 117 Cb -0.18 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.75 1h4h s VAL 117 CO 0.06 0.00 0.64 0.47 -3.33 0.00 0.00 175.10 172.94 1h4h n ASP 118 N -0.37 -4.07 0.00 3.54 8.00 -1.26 -1.67 116.55 120.72 1h4h n ASP 118 Ca -0.17 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 54.79 1h4h n ASP 118 Cb 0.65 -3.33 0.00 0.00 -0.02 0.00 0.00 41.12 38.42 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 -1.33 0.88 0.73 0.44 0.00 -1.26 -4.93 105.19 99.73 1h4h n GLY 119 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.16 3.84 3.19 -0.02 0.00 -0.67 -5.15 105.19 104.21 1h4h n GLY 120 Ca 0.00 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.12 1.85 -0.07 2.61 2.01 -1.26 -2.07 115.64 116.59 1h4h s THR 121 Ca 0.07 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.19 1h4h s THR 121 Cb 0.00 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 1h4h s THR 121 CO 0.05 0.51 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.01 1h4h s TYR 122 N 0.27 2.65 0.22 4.92 1.51 0.21 -0.39 117.35 126.74 1h4h s TYR 122 Ca -0.14 -0.41 -0.26 0.00 -1.01 0.00 0.00 57.07 55.25 1h4h s TYR 122 Cb -0.16 -1.67 -0.09 0.00 -0.11 0.00 0.00 41.96 39.94 1h4h s TYR 122 CO 0.06 -0.01 0.84 -0.51 -1.11 0.00 0.00 175.55 174.83 1h4h s ASP 123 N -0.34 7.41 -0.17 2.29 1.01 -0.30 -1.11 116.67 125.46 1h4h s ASP 123 Ca 0.03 1.73 -0.06 0.00 0.71 0.00 0.00 52.55 54.96 1h4h s ASP 123 Cb -0.13 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 1h4h s ASP 123 CO 0.02 0.12 0.03 -0.63 0.21 0.00 0.00 175.17 174.92 1h4h s ILE 124 N -1.29 4.45 0.27 0.77 1.01 -0.57 -0.35 121.20 125.49 1h4h s ILE 124 Ca 0.41 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.92 1h4h s ILE 124 Cb -0.22 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 1h4h s ILE 124 CO 0.27 0.47 0.09 -0.31 0.00 0.00 0.00 174.94 175.46 1h4h s TYR 125 N 0.41 1.61 -0.12 3.97 1.51 0.93 0.27 117.35 125.93 1h4h s TYR 125 Ca 0.01 -1.16 -0.04 0.00 -1.01 0.00 0.00 57.07 54.87 1h4h s TYR 125 Cb -0.13 -0.96 0.06 0.00 -0.11 0.00 0.00 41.96 40.82 1h4h s TYR 125 CO 0.01 -0.29 0.22 -2.00 -1.11 0.00 0.00 175.55 172.38 1h4h s GLU 126 N -4.00 0.11 0.45 -0.62 2.12 -1.26 -0.96 118.70 114.54 1h4h s GLU 126 Ca 0.37 0.59 0.04 0.00 0.36 0.00 0.00 54.97 56.33 1h4h s GLU 126 Cb 0.08 -0.31 -0.04 0.00 0.26 0.00 0.00 34.13 34.12 1h4h s GLU 126 CO 0.14 -0.35 0.02 0.95 -0.54 0.00 0.00 175.26 175.48 1h4h s THR 127 N 2.36 1.44 -0.03 -1.70 -4.23 0.18 -4.96 115.64 108.70 1h4h s THR 127 Ca 0.03 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.59 1h4h s THR 127 Cb -0.13 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.15 1h4h s THR 127 CO -0.08 0.00 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.58 1h4h s LEU 128 N -3.76 2.00 -0.09 4.79 2.96 -1.26 -0.78 118.68 122.53 1h4h s LEU 128 Ca 0.21 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 1h4h s LEU 128 Cb 0.05 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.67 1h4h s LEU 128 CO 0.11 0.21 -0.23 -0.13 -1.32 0.00 0.00 176.35 174.98 1h4h s ARG 129 N -0.23 2.90 -0.23 1.98 1.81 0.12 -4.97 118.95 120.33 1h4h s ARG 129 Ca 0.02 -0.87 -0.03 0.00 -1.72 0.00 0.00 55.73 53.12 1h4h s ARG 129 Cb -0.10 -2.28 0.00 0.00 -0.45 0.00 0.00 34.95 32.12 1h4h s ARG 129 CO 0.01 0.26 -0.06 0.08 -0.68 0.00 0.00 175.30 174.91 1h4h s VAL 130 N 0.15 3.14 -1.11 3.52 1.01 -1.26 -1.10 120.40 124.75 1h4h s VAL 130 Ca -0.13 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 1h4h s VAL 130 Cb -0.16 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1h4h s VAL 130 CO 0.07 0.36 0.71 0.59 0.00 0.00 0.00 175.10 176.83 1h4h n ASN 131 N 4.75 -4.81 -4.51 3.32 3.02 -0.55 -4.92 115.26 111.57 1h4h n ASN 131 Ca -0.18 -1.11 -0.24 0.00 -0.03 0.00 0.00 54.58 53.02 1h4h n ASN 131 Cb 0.50 -2.39 -0.10 0.00 -0.61 0.00 0.00 39.78 37.17 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 -6.40 1.73 0.75 3.52 -1.52 -0.60 -4.64 119.66 112.50 1h4h s GLN 132 Ca 0.40 -1.88 -0.15 0.00 -1.95 0.00 0.00 55.36 51.77 1h4h s GLN 132 Cb -0.19 -1.54 0.02 0.00 -0.22 0.00 0.00 33.01 31.08 1h4h s GLN 132 CO 0.92 0.12 0.91 -0.35 -0.25 0.00 0.00 175.29 176.64 1h4h n PRO 133 N -0.72 0.36 -3.83 2.91 -0.04 -1.26 -0.87 135.00 131.55 1h4h n PRO 133 Ca -0.05 0.18 -0.05 0.00 -0.04 0.00 0.00 63.50 63.54 1h4h n PRO 133 Cb 0.63 -2.18 0.01 0.00 -0.04 0.00 0.00 33.50 31.92 1h4h n PRO 133 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1h4h s SER 134 N -1.73 -0.07 0.63 3.54 1.04 -1.09 -4.78 113.70 111.24 1h4h s SER 134 Ca 0.71 -0.74 0.41 0.00 0.48 0.00 0.00 55.95 56.82 1h4h s SER 134 Cb -0.33 0.63 2.14 0.00 0.10 0.00 0.00 66.02 68.56 1h4h s SER 134 CO 0.53 -1.22 2.26 0.16 0.98 0.00 0.00 173.24 175.95 1h4h h ILE 135 N 2.00 0.00 -0.36 -1.02 3.07 -2.01 -0.71 117.51 118.48 1h4h h ILE 135 Ca -0.27 -0.12 -0.19 0.00 1.55 0.00 0.00 64.86 65.83 1h4h h ILE 135 Cb 1.23 1.10 -0.12 0.00 -0.27 0.00 0.00 36.82 38.77 1h4h h ILE 135 CO 0.33 0.00 -0.10 0.29 -1.05 0.00 0.00 178.15 177.62 1h4h n LYS 136 N -3.04 1.86 0.00 0.16 4.76 -1.26 -5.10 118.16 115.53 1h4h n LYS 136 Ca -0.02 -3.22 0.00 0.00 -2.87 0.00 0.00 58.31 52.20 1h4h n LYS 136 Cb 0.12 -1.83 0.00 0.00 -1.84 0.00 0.00 35.03 31.49 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 -1.12 -2.78 3.64 0.72 0.00 -0.28 -4.86 105.19 100.51 1h4h n GLY 137 Ca 0.34 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.67 3.01 0.25 -0.61 -1.09 -1.26 -2.67 121.20 118.16 1h4h s ILE 138 Ca 0.00 0.01 -0.13 0.00 -2.23 0.00 0.00 60.65 58.31 1h4h s ILE 138 Cb 0.00 -3.01 -0.00 0.00 -1.58 0.00 0.00 42.46 37.87 1h4h s ILE 138 CO 0.00 -0.00 0.48 0.00 -1.23 0.00 0.00 174.94 174.19 1h4h s ALA 139 N 5.56 -0.23 -0.14 9.38 0.00 -0.05 -4.83 121.76 131.44 1h4h s ALA 139 Ca 0.92 -0.89 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 1h4h s ALA 139 Cb -0.40 1.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 1h4h s ALA 139 CO 0.40 -0.86 -0.02 0.99 0.00 0.00 0.00 175.76 176.27 1h4h s THR 140 N -3.98 4.02 0.12 0.00 2.01 -1.26 -1.48 115.64 115.08 1h4h s THR 140 Ca 0.23 -0.32 -0.25 0.00 0.31 0.00 0.00 61.69 61.66 1h4h s THR 140 Cb -0.01 -2.75 0.07 0.00 0.01 0.00 0.00 72.50 69.83 1h4h s THR 140 CO 0.09 0.51 0.74 0.72 -0.69 0.00 0.00 174.62 176.00 1h4h s PHE 141 N 0.12 -0.40 0.41 4.92 -0.71 -0.26 -4.95 117.98 117.11 1h4h s PHE 141 Ca -0.00 0.18 -0.02 0.00 -1.04 0.00 0.00 56.93 56.04 1h4h s PHE 141 Cb -0.13 0.58 -0.03 0.00 -1.21 0.00 0.00 43.02 42.22 1h4h s PHE 141 CO 0.02 -0.79 0.66 0.15 -1.34 0.00 0.00 175.22 173.93 1h4h s LYS 142 N -3.51 3.51 -0.05 1.99 -0.14 -1.25 -0.71 119.74 119.57 1h4h s LYS 142 Ca 0.04 -0.08 0.04 0.00 -1.36 0.00 0.00 55.97 54.61 1h4h s LYS 142 Cb -0.02 -2.52 0.00 0.00 -1.68 0.00 0.00 37.83 33.61 1h4h s LYS 142 CO -0.08 -0.02 -0.17 -0.65 -0.76 0.00 0.00 175.35 173.67 1h4h s GLN 143 N -4.52 1.89 -0.13 1.68 -0.21 0.04 -2.48 119.66 115.92 1h4h s GLN 143 Ca 0.44 -0.59 -0.05 0.00 0.02 0.00 0.00 55.36 55.17 1h4h s GLN 143 Cb -0.10 -1.59 -0.04 0.00 1.00 0.00 0.00 33.01 32.28 1h4h s GLN 143 CO 0.40 0.19 0.04 0.71 -2.12 0.00 0.00 175.29 174.51 1h4h s TYR 144 N 0.19 3.24 0.04 0.91 2.02 -0.85 0.50 117.35 123.39 1h4h s TYR 144 Ca -0.07 0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.80 1h4h s TYR 144 Cb -0.13 -1.92 -0.02 0.00 -0.40 0.00 0.00 41.96 39.49 1h4h s TYR 144 CO 0.03 0.35 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.68 1h4h s TRP 145 N -0.36 0.85 -0.16 2.71 0.52 -0.13 -0.71 118.94 121.66 1h4h s TRP 145 Ca 0.08 -0.37 -0.00 0.00 0.02 0.00 0.00 56.10 55.83 1h4h s TRP 145 Cb -0.12 -0.51 0.04 0.00 -1.15 0.00 0.00 33.47 31.73 1h4h s TRP 145 CO 0.02 -0.02 -0.07 -1.12 0.02 0.00 0.00 176.95 175.78 1h4h s SER 146 N -1.18 2.84 -0.20 2.95 0.01 -0.59 -0.05 113.70 117.49 1h4h s SER 146 Ca -0.03 -0.65 -0.01 0.00 1.31 0.00 0.00 55.95 56.57 1h4h s SER 146 Cb -0.08 -0.97 0.01 0.00 0.21 0.00 0.00 66.02 65.19 1h4h s SER 146 CO 0.01 -0.16 -0.14 -0.69 0.41 0.00 0.00 173.24 172.66 1h4h s VAL 147 N 1.59 2.56 0.50 3.43 1.01 0.52 -0.16 120.40 129.86 1h4h s VAL 147 Ca 0.01 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 1h4h s VAL 147 Cb -0.15 -2.12 -0.07 0.00 0.00 0.00 0.00 36.38 34.04 1h4h s VAL 147 CO -0.08 0.49 1.22 -1.14 0.00 0.00 0.00 175.10 175.60 1h4h n ARG 148 N 4.69 1.59 0.17 2.72 0.63 -0.26 -1.15 116.66 125.05 1h4h n ARG 148 Ca -0.20 0.58 0.12 0.00 -0.92 0.00 0.00 57.85 57.43 1h4h n ARG 148 Cb 0.50 -2.39 0.19 0.00 0.45 0.00 0.00 32.46 31.21 1h4h n ARG 148 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1h4h h ARG 149 N 1.48 0.00 -3.85 -0.14 3.08 -1.07 -3.45 114.38 110.44 1h4h h ARG 149 Ca -0.49 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.37 1h4h h ARG 149 Cb 1.32 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 31.13 1h4h h ARG 149 CO 0.57 0.00 -0.69 -1.54 -1.07 0.00 0.00 179.97 177.24 1h4h s SER 150 N -5.64 0.13 0.61 7.04 1.04 -1.26 -5.09 113.70 110.53 1h4h s SER 150 Ca 0.06 -0.29 -0.18 0.00 0.48 0.00 0.00 55.95 56.03 1h4h s SER 150 Cb 0.08 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 1h4h s SER 150 CO 0.68 -0.20 1.20 -0.54 0.98 0.00 0.00 173.24 175.36 1h4h s LYS 151 N -0.91 2.89 -0.05 4.02 1.02 -1.26 -4.91 119.74 120.53 1h4h s LYS 151 Ca -0.10 1.78 -0.29 0.00 0.02 0.00 0.00 55.97 57.38 1h4h s LYS 151 Cb -0.06 -1.92 0.07 0.00 -0.52 0.00 0.00 37.83 35.39 1h4h s LYS 151 CO -0.00 -1.26 0.64 -0.98 -0.92 0.00 0.00 175.35 172.83 1h4h s ARG 152 N -3.44 1.02 -0.12 1.68 1.70 -0.61 -5.01 118.95 114.17 1h4h s ARG 152 Ca 0.76 0.22 0.18 0.00 -0.47 0.00 0.00 55.73 56.42 1h4h s ARG 152 Cb -0.29 0.48 0.27 0.00 -0.57 0.00 0.00 34.95 34.83 1h4h s ARG 152 CO 0.35 -0.31 1.14 0.25 -1.08 0.00 0.00 175.30 175.64 1h4h n THR 153 N 0.97 1.75 -3.52 4.99 -2.24 -1.26 -3.76 114.28 111.20 1h4h n THR 153 Ca -0.19 -2.10 -0.16 0.00 -2.27 0.00 0.00 64.05 59.33 1h4h n THR 153 Cb 0.57 -0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.73 -0.60 0.00 3.42 1.04 -1.26 -1.25 113.70 112.32 1h4h s SER 154 Ca 0.29 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.33 1h4h s SER 154 Cb 0.26 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.88 1h4h s SER 154 CO 0.03 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1h4h n GLY 155 N 0.77 0.02 3.52 7.32 0.00 -0.50 -4.99 105.19 111.33 1h4h n GLY 155 Ca -0.17 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.05 3.34 -0.35 2.61 2.01 -1.26 -1.37 115.64 117.56 1h4h s THR 156 Ca 0.00 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.41 1h4h s THR 156 Cb 0.00 -2.34 0.10 0.00 0.01 0.00 0.00 72.50 70.27 1h4h s THR 156 CO 0.00 0.59 0.07 -0.63 -0.69 0.00 0.00 174.62 173.96 1h4h s ILE 157 N -0.70 2.45 -1.18 1.82 1.01 0.23 -4.80 121.20 120.03 1h4h s ILE 157 Ca 0.11 -2.28 -0.21 0.00 0.00 0.00 0.00 60.65 58.27 1h4h s ILE 157 Cb -0.11 -2.77 0.03 0.00 0.01 0.00 0.00 42.46 39.62 1h4h s ILE 157 CO 0.01 -0.60 1.71 -0.44 0.00 0.00 0.00 174.94 175.63 1h4h s SER 158 N 1.06 6.32 0.11 3.58 0.01 -1.26 -1.43 113.70 122.08 1h4h s SER 158 Ca 0.10 -1.92 -0.22 0.00 1.31 0.00 0.00 55.95 55.22 1h4h s SER 158 Cb -0.20 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.38 1h4h s SER 158 CO -0.07 -1.70 1.70 0.58 0.41 0.00 0.00 173.24 174.16 1h4h h VAL 159 N 6.13 0.79 -0.44 3.43 2.07 -1.74 -1.55 116.25 124.93 1h4h h VAL 159 Ca 0.32 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.94 1h4h h VAL 159 Cb 0.93 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1h4h h VAL 159 CO 1.39 0.00 0.30 0.28 0.02 0.00 0.00 177.57 179.57 1h4h h SER 160 N -0.11 0.13 -0.50 0.57 0.02 -1.83 -1.87 113.55 109.97 1h4h h SER 160 Ca 0.05 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1h4h h SER 160 Cb 0.18 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1h4h h SER 160 CO -0.12 0.08 0.13 0.78 -1.14 0.00 0.00 176.83 176.56 1h4h h ASN 161 N 0.14 0.74 -0.21 3.07 4.21 -1.59 -0.69 115.58 121.25 1h4h h ASN 161 Ca 0.20 -0.22 -0.11 0.00 1.21 0.00 0.00 56.30 57.38 1h4h h ASN 161 Cb 0.62 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 1h4h h ASN 161 CO -0.03 0.77 -0.24 0.45 -1.29 0.00 0.00 177.43 177.10 1h4h h HIS 162 N 0.68 0.77 -0.45 1.19 3.86 -1.25 -2.45 115.15 117.49 1h4h h HIS 162 Ca 0.16 -0.17 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1h4h h HIS 162 Cb 0.31 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 1h4h h HIS 162 CO 0.02 0.85 0.29 0.74 0.86 0.00 0.00 177.93 180.69 1h4h h PHE 163 N 0.59 0.55 -0.51 2.45 0.04 -1.09 -1.50 116.94 117.46 1h4h h PHE 163 Ca 0.08 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.88 1h4h h PHE 163 Cb 0.72 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.66 1h4h h PHE 163 CO 0.03 0.34 0.33 0.00 -0.60 0.00 0.00 178.31 178.41 1h4h h ARG 164 N 0.59 0.66 0.04 1.51 3.08 -0.93 0.00 114.38 119.33 1h4h h ARG 164 Ca 0.17 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1h4h h ARG 164 Cb -0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 1h4h h ARG 164 CO -0.05 0.43 -0.09 0.00 -1.07 0.00 0.00 179.97 179.20 1h4h h ALA 165 N 1.19 -0.13 -0.72 0.04 0.00 -1.14 0.34 119.26 118.85 1h4h h ALA 165 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1h4h h ALA 165 Cb -0.06 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1h4h h ALA 165 CO -0.05 -0.59 0.45 -1.49 0.00 0.00 0.00 179.25 177.56 1h4h h TRP 166 N -0.17 0.93 -0.23 0.00 6.55 -1.05 -1.60 115.95 120.38 1h4h h TRP 166 Ca 0.02 0.01 -0.06 0.00 0.95 0.00 0.00 58.89 59.81 1h4h h TRP 166 Cb 0.20 -0.31 -0.01 0.00 -0.86 0.00 0.00 29.16 28.17 1h4h h TRP 166 CO -0.14 0.61 -0.13 0.93 -1.05 0.00 0.00 178.44 178.66 1h4h h GLU 167 N 0.97 0.37 0.00 0.49 5.08 -0.63 -0.02 114.58 120.85 1h4h h GLU 167 Ca 0.26 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1h4h h GLU 167 Cb -0.06 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1h4h h GLU 167 CO -0.05 0.51 -0.11 -0.97 -1.00 0.00 0.00 179.01 177.39 1h4h h ASN 168 N 0.35 0.00 -0.17 1.42 -0.73 0.51 0.44 115.58 117.40 1h4h h ASN 168 Ca 0.07 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.24 1h4h h ASN 168 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.04 1h4h h ASN 168 CO 0.03 0.11 0.00 0.18 -0.37 0.00 0.00 177.43 177.37 1h4h n LEU 169 N -4.06 1.51 0.00 0.34 4.77 -0.14 -4.91 117.00 114.52 1h4h n LEU 169 Ca -0.02 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1h4h n LEU 169 Cb 0.19 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1h4h n LEU 169 CO 0.33 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1h4h n GLY 170 N 1.08 0.66 3.65 -0.72 0.00 0.15 -5.04 105.19 104.96 1h4h n GLY 170 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.74 4.12 0.22 1.61 -1.94 -0.51 -4.96 119.30 117.11 1h4h s MET 171 Ca 0.00 1.32 -0.30 0.00 -1.71 0.00 0.00 55.69 55.00 1h4h s MET 171 Cb 0.00 -3.75 -0.08 0.00 2.01 0.00 0.00 34.83 33.01 1h4h s MET 171 CO 0.00 -0.83 1.08 -0.80 -0.01 0.00 0.00 175.02 174.45 1h4h s ASN 172 N 1.85 7.32 0.03 3.03 0.01 -1.26 -3.78 114.94 122.14 1h4h s ASN 172 Ca 0.50 2.14 0.07 0.00 -0.71 0.00 0.00 52.86 54.85 1h4h s ASN 172 Cb -0.16 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 38.86 1h4h s ASN 172 CO 0.14 -0.14 -0.19 -0.04 -1.51 0.00 0.00 177.10 175.36 1h4h s MET 173 N -0.88 2.07 0.00 -0.60 -1.94 -1.26 -4.87 119.30 111.82 1h4h s MET 173 Ca 0.46 -0.98 0.00 0.00 -1.71 0.00 0.00 55.69 53.47 1h4h s MET 173 Cb -0.30 -2.17 0.00 0.00 2.01 0.00 0.00 34.83 34.38 1h4h s MET 173 CO 0.37 0.54 0.00 0.41 -0.01 0.00 0.00 175.02 176.33 1h4h n GLY 174 N 1.68 1.42 3.75 -0.03 0.00 -1.26 -4.73 105.19 106.03 1h4h n GLY 174 Ca -0.16 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 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 2.54 4.66 0.24 1.61 -0.14 0.29 -4.39 119.74 124.57 1h4h s LYS 175 Ca 0.00 1.73 -0.31 0.00 -1.36 0.00 0.00 55.97 56.03 1h4h s LYS 175 Cb 0.00 -3.23 -0.11 0.00 -1.68 0.00 0.00 37.83 32.81 1h4h s LYS 175 CO 0.00 0.21 1.58 -1.64 -0.76 0.00 0.00 175.35 174.75 1h4h s MET 176 N -1.06 4.17 -0.06 1.68 -1.94 0.20 -0.85 119.30 121.43 1h4h s MET 176 Ca 0.45 2.49 0.03 0.00 -1.71 0.00 0.00 55.69 56.96 1h4h s MET 176 Cb -0.30 -3.07 -0.06 0.00 2.01 0.00 0.00 34.83 33.41 1h4h s MET 176 CO 0.38 -0.61 -0.01 0.98 -0.01 0.00 0.00 175.02 175.75 1h4h n TYR 177 N 2.89 0.00 -3.55 -0.03 4.19 -0.01 -2.51 117.16 118.14 1h4h n TYR 177 Ca 0.10 0.00 -0.10 0.00 3.31 0.00 0.00 57.90 61.21 1h4h n TYR 177 Cb 0.38 -0.26 -0.04 0.00 0.49 0.00 0.00 39.34 39.91 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 -2.13 0.71 -0.06 2.98 2.12 -1.11 0.60 118.70 121.82 1h4h s GLU 178 Ca -0.05 -0.00 -0.02 0.00 0.36 0.00 0.00 54.97 55.26 1h4h s GLU 178 Cb 0.02 0.33 0.04 0.00 0.26 0.00 0.00 34.13 34.78 1h4h s GLU 178 CO 0.19 -0.26 0.13 0.54 -0.54 0.00 0.00 175.26 175.33 1h4h s VAL 179 N -1.82 -0.08 -0.27 3.70 0.11 -0.76 -2.43 120.40 118.84 1h4h s VAL 179 Ca -0.00 0.21 -0.23 0.00 -2.93 0.00 0.00 61.98 59.04 1h4h s VAL 179 Cb -0.01 -0.22 0.07 0.00 -1.53 0.00 0.00 36.38 34.69 1h4h s VAL 179 CO -0.01 0.09 0.72 0.00 -3.33 0.00 0.00 175.10 172.57 1h4h s ALA 180 N 1.32 -1.82 0.01 1.54 0.00 0.03 -1.27 121.76 121.57 1h4h s ALA 180 Ca -0.07 2.13 -0.30 0.00 0.00 0.00 0.00 51.96 53.72 1h4h s ALA 180 Cb -0.12 -1.26 -0.07 0.00 0.00 0.00 0.00 23.12 21.67 1h4h s ALA 180 CO -0.05 -0.35 1.67 -1.17 0.00 0.00 0.00 175.76 175.86 1h4h s LEU 181 N 0.72 4.35 0.03 0.00 1.98 -1.05 -0.94 118.68 123.77 1h4h s LEU 181 Ca -0.03 2.38 0.03 0.00 -2.89 0.00 0.00 54.13 53.63 1h4h s LEU 181 Cb -0.05 -3.55 -0.02 0.00 0.66 0.00 0.00 46.19 43.24 1h4h s LEU 181 CO -0.05 -0.91 -0.10 -0.89 -1.89 0.00 0.00 176.35 172.51 1h4h s THR 182 N 3.38 0.75 -0.16 3.68 2.01 0.61 -1.67 115.64 124.24 1h4h s THR 182 Ca 0.75 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.96 1h4h s THR 182 Cb -0.37 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 71.45 1h4h s THR 182 CO 0.32 -0.07 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.28 1h4h s VAL 183 N -0.80 2.12 0.03 3.82 1.01 0.99 -1.09 120.40 126.47 1h4h s VAL 183 Ca -0.02 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.11 1h4h s VAL 183 Cb -0.07 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1h4h s VAL 183 CO 0.01 0.54 -0.25 -0.70 0.00 0.00 0.00 175.10 174.69 1h4h s GLU 184 N 1.01 1.81 0.06 2.72 2.12 -0.67 -0.32 118.70 125.44 1h4h s GLU 184 Ca -0.02 -1.03 0.08 0.00 0.36 0.00 0.00 54.97 54.36 1h4h s GLU 184 Cb -0.14 -1.92 -0.03 0.00 0.26 0.00 0.00 34.13 32.30 1h4h s GLU 184 CO -0.06 0.50 -0.21 0.20 -0.54 0.00 0.00 175.26 175.15 1h4h s GLY 185 N -1.05 1.20 -0.13 -1.50 0.00 -0.05 -0.49 107.32 105.30 1h4h s GLY 185 Ca 0.11 -1.15 -0.01 0.00 0.00 0.00 0.00 44.72 43.67 1h4h s GLY 185 CO 0.01 -1.09 -0.02 -0.47 0.00 0.00 0.00 173.10 171.52 1h4h s TYR 186 N -0.91 1.20 -1.39 1.90 5.04 -0.65 -1.67 117.35 120.86 1h4h s TYR 186 Ca 0.08 -0.67 -0.09 0.00 -2.44 0.00 0.00 57.07 53.95 1h4h s TYR 186 Cb -0.09 -1.08 0.01 0.00 0.35 0.00 0.00 41.96 41.15 1h4h s TYR 186 CO 0.03 -0.50 0.37 1.04 -1.34 0.00 0.00 175.55 175.14 1h4h n GLN 187 N 5.01 -1.68 -0.92 4.97 6.02 0.24 -3.96 117.38 127.05 1h4h n GLN 187 Ca -0.10 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1h4h n GLN 187 Cb 0.49 -3.79 0.00 0.00 1.02 0.00 0.00 30.24 27.96 1h4h n GLN 187 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1h4h n SER 188 N -2.76 0.00 -4.28 1.08 3.41 -1.21 -4.68 113.62 105.17 1h4h n SER 188 Ca -0.26 -0.89 -0.17 0.00 -0.26 0.00 0.00 58.87 57.29 1h4h n SER 188 Cb 0.66 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.50 1h4h n SER 188 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1h4h s SER 189 N -0.68 2.15 0.00 4.04 0.01 -1.26 -2.50 113.70 115.45 1h4h s SER 189 Ca 0.00 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1h4h s SER 189 Cb 0.00 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1h4h s SER 189 CO 0.00 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.06 1h4h n GLY 190 N 0.05 -1.13 3.43 3.44 0.00 -0.34 -0.76 105.19 109.87 1h4h n GLY 190 Ca -0.12 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.56 -0.18 1.61 1.04 -1.01 -1.09 113.70 109.51 1h4h s SER 191 Ca 0.00 -0.02 -0.26 0.00 0.48 0.00 0.00 55.95 56.14 1h4h s SER 191 Cb 0.00 0.60 0.07 0.00 0.10 0.00 0.00 66.02 66.79 1h4h s SER 191 CO 0.00 -0.98 0.68 0.00 0.98 0.00 0.00 173.24 173.92 1h4h s ALA 192 N -3.76 -1.71 -0.20 5.32 0.00 0.68 -0.71 121.76 121.38 1h4h s ALA 192 Ca 0.01 1.69 0.01 0.00 0.00 0.00 0.00 51.96 53.68 1h4h s ALA 192 Cb -0.01 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.43 1h4h s ALA 192 CO -0.12 -0.34 -0.16 1.21 0.00 0.00 0.00 175.76 176.34 1h4h s ASN 193 N -0.21 3.42 -0.88 0.00 3.04 -0.11 -0.06 114.94 120.13 1h4h s ASN 193 Ca -0.04 -0.83 -0.18 0.00 0.04 0.00 0.00 52.86 51.84 1h4h s ASN 193 Cb -0.03 -1.44 0.14 0.00 -1.54 0.00 0.00 41.25 38.37 1h4h s ASN 193 CO 0.04 -0.06 1.05 -0.69 -3.04 0.00 0.00 177.10 174.39 1h4h s VAL 194 N 1.28 4.81 -1.02 -5.21 1.01 0.13 -0.47 120.40 120.94 1h4h s VAL 194 Ca 0.01 -1.57 0.28 0.00 0.00 0.00 0.00 61.98 60.70 1h4h s VAL 194 Cb -0.15 -4.72 0.20 0.00 0.00 0.00 0.00 36.38 31.71 1h4h s VAL 194 CO -0.10 -1.42 1.81 0.00 0.00 0.00 0.00 175.10 175.38 1h4h n TYR 195 N 6.30 0.00 -3.79 5.22 0.18 -0.08 -2.24 117.16 122.74 1h4h n TYR 195 Ca 0.19 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.84 1h4h n TYR 195 Cb 0.48 -0.43 -0.12 0.00 -0.38 0.00 0.00 39.34 38.89 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 -2.98 -0.24 -0.30 9.48 0.15 -0.81 -4.90 113.70 114.11 1h4h s SER 196 Ca 0.14 0.46 -0.07 0.00 0.70 0.00 0.00 55.95 57.18 1h4h s SER 196 Cb 0.19 0.47 0.19 0.00 -1.71 0.00 0.00 66.02 65.15 1h4h s SER 196 CO 0.57 -0.08 0.92 0.21 1.20 0.00 0.00 173.24 176.06 1h4h s ASN 197 N 0.12 -0.74 -0.12 5.45 2.47 -1.23 -1.01 114.94 119.88 1h4h s ASN 197 Ca -0.00 0.09 0.01 0.00 0.42 0.00 0.00 52.86 53.38 1h4h s ASN 197 Cb -0.02 1.47 0.02 0.00 -1.45 0.00 0.00 41.25 41.27 1h4h s ASN 197 CO 0.00 -0.14 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.21 1h4h s THR 198 N 2.92 1.47 -0.24 -5.21 2.01 0.12 -3.49 115.64 113.23 1h4h s THR 198 Ca 0.23 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.50 1h4h s THR 198 Cb -0.04 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 1h4h s THR 198 CO -0.24 0.44 0.22 -0.22 -0.69 0.00 0.00 174.62 174.13 1h4h s LEU 199 N 1.14 4.10 -0.12 4.42 2.96 -1.26 -1.35 118.68 128.57 1h4h s LEU 199 Ca -0.03 0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 54.01 1h4h s LEU 199 Cb -0.14 -2.19 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 1h4h s LEU 199 CO -0.04 0.01 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.84 1h4h s ARG 200 N 1.29 3.29 -0.28 1.98 0.52 0.45 -1.98 118.95 124.23 1h4h s ARG 200 Ca 0.10 -0.48 -0.00 0.00 -0.52 0.00 0.00 55.73 54.83 1h4h s ARG 200 Cb -0.14 -2.83 0.05 0.00 0.52 0.00 0.00 34.95 32.54 1h4h s ARG 200 CO 0.07 0.48 -0.05 0.42 0.02 0.00 0.00 175.30 176.23 1h4h s ILE 201 N -0.27 2.67 -1.29 1.52 1.01 -0.51 -1.70 121.20 122.62 1h4h s ILE 201 Ca 0.05 -1.40 -0.03 0.00 0.00 0.00 0.00 60.65 59.27 1h4h s ILE 201 Cb -0.12 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.85 1h4h s ILE 201 CO 0.02 -0.02 0.92 0.59 0.00 0.00 0.00 174.94 176.46 1h4h n ASN 202 N 4.56 -2.59 0.00 3.58 3.02 0.44 -2.33 115.26 121.95 1h4h n ASN 202 Ca -0.14 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1h4h n ASN 202 Cb 0.44 -4.63 0.00 0.00 -0.61 0.00 0.00 39.78 34.98 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 -1.46 2.61 3.58 7.41 0.00 -1.26 -4.99 105.19 111.08 1h4h n GLY 203 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.84 5.91 0.49 1.61 0.01 -0.98 -4.95 114.94 114.19 1h4h s ASN 204 Ca 0.00 -0.01 -0.23 0.00 -0.71 0.00 0.00 52.86 51.91 1h4h s ASN 204 Cb 0.00 -2.09 -0.07 0.00 0.41 0.00 0.00 41.25 39.51 1h4h s ASN 204 CO 0.00 -0.02 1.32 -2.16 -1.51 0.00 0.00 177.10 174.73 1h4h s PRO 205 N 1.57 3.49 0.34 -0.60 0.04 -1.26 -1.43 135.00 137.15 1h4h s PRO 205 Ca 0.07 2.15 -0.28 0.00 0.04 0.00 0.00 61.00 62.98 1h4h s PRO 205 Cb -0.15 -2.43 -0.12 0.00 0.04 0.00 0.00 34.50 31.83 1h4h s PRO 205 CO 0.08 -0.88 1.23 1.28 0.04 0.00 0.00 177.00 178.76 1h4h n LEU 206 N -0.60 3.22 -0.40 -3.56 4.32 -0.84 -4.89 117.00 114.26 1h4h n LEU 206 Ca 0.08 1.20 0.14 0.00 -0.02 0.00 0.00 56.01 57.41 1h4h n LEU 206 Cb 0.45 -1.45 0.60 0.00 -1.62 0.00 0.00 43.42 41.40 1h4h n LEU 206 CO 0.53 -0.68 0.91 -1.54 -1.22 0.00 0.00 177.39 175.39