#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pu5 s ALA 3 N 0.00 2.23 -0.39 2.41 0.00 -1.26 -4.97 121.76 119.78 2pu5 s ALA 3 Ca 0.00 1.01 -0.08 0.00 0.00 0.00 0.00 51.96 52.89 2pu5 s ALA 3 Cb 0.00 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.69 2pu5 s ALA 3 CO 0.00 -1.74 0.20 -1.17 0.00 0.00 0.00 175.76 173.05 2pu5 s LEU 4 N -4.81 4.88 0.26 0.00 0.20 -1.26 -4.82 118.68 113.14 2pu5 s LEU 4 Ca 0.77 -1.42 0.01 0.00 0.69 0.00 0.00 54.13 54.18 2pu5 s LEU 4 Cb -0.32 -1.94 -0.05 0.00 -0.43 0.00 0.00 46.19 43.45 2pu5 s LEU 4 CO 0.42 -0.47 0.09 0.42 -0.29 0.00 0.00 176.35 176.53 2pu5 s THR 5 N 1.39 0.59 0.15 3.68 -4.23 -1.26 -5.02 115.64 110.94 2pu5 s THR 5 Ca 0.02 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.34 2pu5 s THR 5 Cb -0.22 -2.64 0.04 0.00 1.34 0.00 0.00 72.50 71.03 2pu5 s THR 5 CO 0.02 -0.01 1.67 -0.08 -0.54 0.00 0.00 174.62 175.68 2pu5 h GLU 6 N 2.38 -0.08 -0.18 3.99 4.81 -1.99 -2.44 114.58 121.07 2pu5 h GLU 6 Ca -0.38 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 58.65 2pu5 h GLU 6 Cb 1.25 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2pu5 h GLU 6 CO 0.61 -0.05 -0.70 0.77 -0.73 0.00 0.00 179.01 178.91 2pu5 h SER 7 N -0.08 0.86 0.16 1.04 0.02 -1.97 -2.58 113.55 110.99 2pu5 h SER 7 Ca 0.15 -0.53 -0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2pu5 h SER 7 Cb 0.31 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 2pu5 h SER 7 CO -0.35 1.31 -0.01 0.77 -1.14 0.00 0.00 176.83 177.41 2pu5 h SER 8 N 0.52 0.00 -0.02 3.07 4.64 -1.85 -1.77 113.55 118.14 2pu5 h SER 8 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2pu5 h SER 8 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2pu5 h SER 8 CO 0.14 0.01 -0.29 0.35 -0.87 0.00 0.00 176.83 176.17 2pu5 n THR 9 N -3.27 0.00 -2.38 2.95 -2.24 -0.93 -4.88 114.28 103.53 2pu5 n THR 9 Ca -0.02 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 2pu5 n THR 9 Cb 0.12 1.29 -0.03 0.00 -2.10 0.00 0.00 70.33 69.60 2pu5 n THR 9 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2pu5 s SER 10 N -2.07 7.02 0.20 3.42 0.15 -0.67 -0.76 113.70 120.99 2pu5 s SER 10 Ca 0.18 2.03 -0.04 0.00 0.70 0.00 0.00 55.95 58.82 2pu5 s SER 10 Cb 0.16 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.87 2pu5 s SER 10 CO 0.43 -0.53 0.21 -0.54 1.20 0.00 0.00 173.24 174.01 2pu5 s LYS 11 N 1.37 1.23 0.00 5.44 1.02 0.14 -4.95 119.74 124.00 2pu5 s LYS 11 Ca 0.59 -1.47 0.05 0.00 0.02 0.00 0.00 55.97 55.16 2pu5 s LYS 11 Cb -0.30 0.32 -0.01 0.00 -0.52 0.00 0.00 37.83 37.32 2pu5 s LYS 11 CO 0.28 -0.43 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.08 2pu5 s PHE 12 N -4.09 1.27 -0.04 3.18 0.40 -1.26 -0.47 117.98 116.97 2pu5 s PHE 12 Ca 0.31 -0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 56.33 2pu5 s PHE 12 Cb 0.05 -0.80 0.01 0.00 0.51 0.00 0.00 43.02 42.79 2pu5 s PHE 12 CO 0.08 -0.00 0.12 0.54 0.70 0.00 0.00 175.22 176.66 2pu5 s VAL 13 N -0.47 0.01 0.14 -0.44 0.11 -0.21 -4.96 120.40 114.59 2pu5 s VAL 13 Ca 0.05 -0.09 -0.30 0.00 -2.93 0.00 0.00 61.98 58.71 2pu5 s VAL 13 Cb -0.06 -0.20 -0.07 0.00 -1.53 0.00 0.00 36.38 34.53 2pu5 s VAL 13 CO -0.00 -0.05 0.97 -0.54 -3.33 0.00 0.00 175.10 172.15 2pu5 s LYS 14 N -0.11 4.72 0.20 1.54 -0.14 -1.26 0.56 119.74 125.24 2pu5 s LYS 14 Ca -0.02 1.48 0.10 0.00 -1.36 0.00 0.00 55.97 56.18 2pu5 s LYS 14 Cb -0.02 -3.35 -0.04 0.00 -1.68 0.00 0.00 37.83 32.74 2pu5 s LYS 14 CO 0.00 0.26 -0.21 0.96 -0.76 0.00 0.00 175.35 175.60 2pu5 s ILE 15 N -0.24 2.14 -0.33 2.17 -4.36 0.13 -4.85 121.20 115.85 2pu5 s ILE 15 Ca 0.46 -2.06 0.16 0.00 -0.26 0.00 0.00 60.65 58.95 2pu5 s ILE 15 Cb -0.24 -2.04 0.44 0.00 1.25 0.00 0.00 42.46 41.87 2pu5 s ILE 15 CO 0.31 -0.26 1.11 0.59 0.24 0.00 0.00 174.94 176.93 2pu5 n ASN 16 N 0.11 0.41 -4.59 4.36 3.02 -1.26 -2.12 115.26 115.19 2pu5 n ASN 16 Ca -0.11 -2.53 -0.34 0.00 -0.03 0.00 0.00 54.58 51.56 2pu5 n ASN 16 Cb 0.57 -0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.59 2pu5 n ASN 16 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2pu5 s GLU 17 N -2.14 3.89 -1.06 3.52 2.56 -1.21 -4.86 118.70 119.39 2pu5 s GLU 17 Ca 0.25 -0.39 -0.19 0.00 0.00 0.00 0.00 54.97 54.63 2pu5 s GLU 17 Cb 0.43 -3.13 0.01 0.00 2.00 0.00 0.00 34.13 33.43 2pu5 s GLU 17 CO -0.01 0.26 0.72 1.63 -0.56 0.00 0.00 175.26 177.29 2pu5 n LYS 18 N 3.55 -1.01 0.00 4.30 5.02 -1.26 -0.06 118.16 128.70 2pu5 n LYS 18 Ca -0.17 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2pu5 n LYS 18 Cb 0.52 -3.45 0.00 0.00 -0.02 0.00 0.00 35.03 32.08 2pu5 n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pu5 n GLY 19 N -1.80 3.02 3.73 0.72 0.00 -1.26 -4.99 105.19 104.61 2pu5 n GLY 19 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2pu5 n GLY 19 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pu5 s PHE 20 N -1.74 3.21 -0.12 1.61 0.40 0.91 -5.03 117.98 117.22 2pu5 s PHE 20 Ca 0.00 1.05 -0.04 0.00 -0.60 0.00 0.00 56.93 57.35 2pu5 s PHE 20 Cb 0.00 -3.68 0.06 0.00 0.51 0.00 0.00 43.02 39.91 2pu5 s PHE 20 CO 0.00 -2.27 0.16 0.45 0.70 0.00 0.00 175.22 174.27 2pu5 s SER 21 N 0.70 1.11 -1.48 1.36 0.15 -1.24 -3.36 113.70 110.94 2pu5 s SER 21 Ca 0.61 0.08 -0.01 0.00 0.70 0.00 0.00 55.95 57.33 2pu5 s SER 21 Cb -0.38 0.23 0.01 0.00 -1.71 0.00 0.00 66.02 64.17 2pu5 s SER 21 CO 0.35 -0.28 0.26 0.47 1.20 0.00 0.00 173.24 175.24 2pu5 n ASP 22 N 5.32 0.13 -4.67 5.45 9.92 -0.92 -4.95 116.55 126.83 2pu5 n ASP 22 Ca -0.05 -1.12 -0.35 0.00 -0.53 0.00 0.00 54.79 52.74 2pu5 n ASP 22 Cb 0.50 -2.44 -0.09 0.00 -0.64 0.00 0.00 41.12 38.44 2pu5 n ASP 22 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2pu5 s PHE 23 N -4.11 3.32 -0.34 1.24 5.36 -0.90 -4.84 117.98 117.71 2pu5 s PHE 23 Ca 0.03 0.19 -0.19 0.00 -0.96 0.00 0.00 56.93 56.00 2pu5 s PHE 23 Cb -0.02 -2.17 -0.00 0.00 -0.34 0.00 0.00 43.02 40.49 2pu5 s PHE 23 CO 0.94 0.15 0.57 1.21 -1.46 0.00 0.00 175.22 176.63 2pu5 s ASN 24 N 0.63 6.39 -0.31 6.13 2.47 -1.26 0.17 114.94 129.16 2pu5 s ASN 24 Ca 0.06 0.16 -0.11 0.00 0.42 0.00 0.00 52.86 53.39 2pu5 s ASN 24 Cb -0.12 -2.30 -0.02 0.00 -1.45 0.00 0.00 41.25 37.36 2pu5 s ASN 24 CO 0.01 -0.50 0.18 -0.63 -3.72 0.00 0.00 177.10 172.44 2pu5 s ILE 25 N 2.53 4.95 0.04 -5.21 -1.09 0.19 -0.96 121.20 121.65 2pu5 s ILE 25 Ca 0.22 -0.21 -0.30 0.00 -2.23 0.00 0.00 60.65 58.13 2pu5 s ILE 25 Cb -0.15 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 2pu5 s ILE 25 CO 0.13 0.10 1.05 -2.28 -1.23 0.00 0.00 174.94 172.72 2pu5 s HIS 26 N 1.68 3.60 0.15 3.97 5.65 -1.26 -1.05 115.29 128.03 2pu5 s HIS 26 Ca 0.06 1.58 -0.09 0.00 0.25 0.00 0.00 55.06 56.86 2pu5 s HIS 26 Cb -0.17 -3.22 -0.01 0.00 -1.18 0.00 0.00 32.58 28.01 2pu5 s HIS 26 CO 0.08 -0.42 0.26 1.52 -0.65 0.00 0.00 174.74 175.53 2pu5 s TYR 27 N 0.85 0.37 -0.16 3.88 -0.85 0.38 -0.29 117.35 121.53 2pu5 s TYR 27 Ca 0.53 -0.75 0.02 0.00 -0.52 0.00 0.00 57.07 56.35 2pu5 s TYR 27 Cb -0.24 -0.08 0.02 0.00 0.38 0.00 0.00 41.96 42.04 2pu5 s TYR 27 CO 0.29 -0.68 -0.21 -0.80 -1.52 0.00 0.00 175.55 172.63 2pu5 s ASN 28 N -2.95 3.11 -0.06 -0.18 -0.87 0.12 0.29 114.94 114.40 2pu5 s ASN 28 Ca 0.15 -0.63 0.03 0.00 -1.57 0.00 0.00 52.86 50.85 2pu5 s ASN 28 Cb 0.04 -1.46 0.01 0.00 -0.02 0.00 0.00 41.25 39.82 2pu5 s ASN 28 CO -0.02 0.04 -0.14 -0.70 -2.57 0.00 0.00 177.10 173.71 2pu5 s GLU 29 N 1.06 1.74 0.15 -0.60 2.12 0.06 -0.70 118.70 122.53 2pu5 s GLU 29 Ca -0.01 -0.48 -0.03 0.00 0.36 0.00 0.00 54.97 54.81 2pu5 s GLU 29 Cb -0.14 -1.45 -0.03 0.00 0.26 0.00 0.00 34.13 32.76 2pu5 s GLU 29 CO -0.07 0.09 0.12 0.00 -0.54 0.00 0.00 175.26 174.86 2pu5 s ALA 30 N 0.46 0.71 0.01 6.30 0.00 -0.88 -4.63 121.76 123.72 2pu5 s ALA 30 Ca -0.11 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.47 2pu5 s ALA 30 Cb -0.14 0.93 0.00 0.00 0.00 0.00 0.00 23.12 23.91 2pu5 s ALA 30 CO 0.03 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2pu5 n GLY 31 N -0.14 -2.20 3.25 0.00 0.00 -1.26 0.30 105.19 105.13 2pu5 n GLY 31 Ca -0.05 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 2pu5 n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pu5 s ASN 32 N -2.71 -0.11 0.00 1.61 0.01 -1.21 -4.60 114.94 107.93 2pu5 s ASN 32 Ca 0.00 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 51.93 2pu5 s ASN 32 Cb 0.00 0.36 0.00 0.00 0.41 0.00 0.00 41.25 42.02 2pu5 s ASN 32 CO 0.00 -0.63 0.00 0.61 -1.51 0.00 0.00 177.10 175.57 2pu5 n GLY 33 N 0.50 0.49 3.71 0.66 0.00 -1.26 -3.19 105.19 106.09 2pu5 n GLY 33 Ca -0.18 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2pu5 n GLY 33 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2pu5 n GLU 34 N 0.00 2.78 -3.54 1.61 2.13 -1.26 -4.34 120.64 118.02 2pu5 n GLU 34 Ca 0.00 1.01 -0.38 0.00 0.66 0.00 0.00 57.16 58.45 2pu5 n GLU 34 Cb 0.00 -2.86 -0.06 0.00 0.27 0.00 0.00 31.44 28.78 2pu5 n GLU 34 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2pu5 s THR 35 N 1.55 5.12 -0.18 6.31 2.01 -1.26 -1.06 115.64 128.14 2pu5 s THR 35 Ca 0.77 0.74 0.01 0.00 0.31 0.00 0.00 61.69 63.52 2pu5 s THR 35 Cb -0.50 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.37 2pu5 s THR 35 CO 0.33 0.55 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.98 2pu5 s VAL 36 N -0.84 1.77 -0.16 3.82 1.01 -0.18 -0.66 120.40 125.17 2pu5 s VAL 36 Ca 0.22 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 2pu5 s VAL 36 Cb -0.16 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 2pu5 s VAL 36 CO 0.11 0.37 0.05 -0.63 0.00 0.00 0.00 175.10 175.00 2pu5 s ILE 37 N 1.38 4.73 -0.14 2.22 1.01 0.11 -0.80 121.20 129.70 2pu5 s ILE 37 Ca 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 2pu5 s ILE 37 Cb -0.14 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2pu5 s ILE 37 CO -0.10 0.50 -0.06 -0.04 0.00 0.00 0.00 174.94 175.24 2pu5 s MET 38 N 0.06 3.51 -0.14 2.79 -1.94 0.12 -0.72 119.30 122.98 2pu5 s MET 38 Ca 0.05 -0.55 0.02 0.00 -1.71 0.00 0.00 55.69 53.49 2pu5 s MET 38 Cb -0.12 -2.82 0.01 0.00 2.01 0.00 0.00 34.83 33.91 2pu5 s MET 38 CO 0.01 0.29 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.61 2pu5 s LEU 39 N 0.22 1.98 0.64 -0.03 1.43 0.25 -2.27 118.68 120.90 2pu5 s LEU 39 Ca -0.04 -0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 52.47 2pu5 s LEU 39 Cb -0.14 -1.34 0.05 0.00 0.03 0.00 0.00 46.19 44.79 2pu5 s LEU 39 CO 0.03 0.03 0.91 -1.38 0.23 0.00 0.00 176.35 176.18 2pu5 s HIS 40 N 1.03 2.86 0.00 0.29 -3.43 -1.26 -1.15 115.29 113.63 2pu5 s HIS 40 Ca -0.03 0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.46 2pu5 s HIS 40 Cb -0.15 -3.01 0.00 0.00 -1.43 0.00 0.00 32.58 28.00 2pu5 s HIS 40 CO -0.05 -1.19 0.00 0.41 -2.00 0.00 0.00 174.74 171.91 2pu5 n GLY 41 N -2.68 -0.83 0.26 -1.38 0.00 -1.22 -1.77 105.19 97.57 2pu5 n GLY 41 Ca 0.08 -1.71 0.03 0.00 0.00 0.00 0.00 46.02 44.42 2pu5 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pu5 n GLY 42 N 5.00 1.03 3.74 -0.02 0.00 -1.26 -4.80 105.19 108.88 2pu5 n GLY 42 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2pu5 n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pu5 s GLY 43 N -0.73 1.65 0.33 -0.02 0.00 -1.26 -4.96 107.32 102.34 2pu5 s GLY 43 Ca 0.09 0.14 -0.29 0.00 0.00 0.00 0.00 44.72 44.66 2pu5 s GLY 43 CO 0.07 0.55 1.53 -1.05 0.00 0.00 0.00 173.10 174.20 2pu5 n PRO 44 N -3.71 2.64 -0.98 2.90 -0.02 -1.26 -2.15 135.00 132.41 2pu5 n PRO 44 Ca 0.08 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 2pu5 n PRO 44 Cb 0.54 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2pu5 n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pu5 n GLY 45 N 1.36 0.49 3.78 -1.23 0.00 -1.26 -4.86 105.19 103.46 2pu5 n GLY 45 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2pu5 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pu5 s ALA 46 N -2.13 2.79 0.24 4.61 0.00 -0.91 -4.70 121.76 121.67 2pu5 s ALA 46 Ca 0.00 0.78 -0.20 0.00 0.00 0.00 0.00 51.96 52.54 2pu5 s ALA 46 Cb 0.00 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.81 2pu5 s ALA 46 CO 0.00 -0.62 0.65 0.20 0.00 0.00 0.00 175.76 175.99 2pu5 s GLY 47 N -1.76 -0.14 0.09 0.00 0.00 -1.26 -3.65 107.32 100.59 2pu5 s GLY 47 Ca 0.70 -0.19 -0.27 0.00 0.00 0.00 0.00 44.72 44.96 2pu5 s GLY 47 CO 0.26 -0.11 1.69 -1.33 0.00 0.00 0.00 173.10 173.61 2pu5 h GLY 48 N 2.05 -0.36 0.84 0.20 0.00 -1.84 -1.70 103.07 102.26 2pu5 h GLY 48 Ca -0.24 0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.28 2pu5 h GLY 48 CO 0.29 -0.14 0.33 -0.25 0.00 0.00 0.00 176.54 176.76 2pu5 h TRP 49 N -0.35 0.61 -0.66 5.60 2.91 -1.92 0.11 115.95 122.25 2pu5 h TRP 49 Ca -0.02 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 2pu5 h TRP 49 Cb 0.29 -0.20 -0.03 0.00 -0.51 0.00 0.00 29.16 28.72 2pu5 h TRP 49 CO -0.09 0.34 0.32 1.03 -1.03 0.00 0.00 178.44 179.01 2pu5 h SER 50 N 0.65 0.86 -0.10 2.65 0.87 -1.93 0.17 113.55 116.72 2pu5 h SER 50 Ca 0.23 -0.13 -0.18 0.00 -1.23 0.00 0.00 61.79 60.48 2pu5 h SER 50 Cb 0.05 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2pu5 h SER 50 CO -0.11 0.75 -0.62 0.78 -0.53 0.00 0.00 176.83 177.10 2pu5 h ASN 51 N 0.91 0.71 -0.18 6.23 -0.26 -1.02 -3.39 115.58 118.58 2pu5 h ASN 51 Ca 0.23 -0.66 0.00 0.00 -0.56 0.00 0.00 56.30 55.31 2pu5 h ASN 51 Cb 0.12 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.17 2pu5 h ASN 51 CO -0.03 1.26 0.00 -1.22 -1.06 0.00 0.00 177.43 176.39 2pu5 n TYR 52 N -4.13 0.44 0.42 1.19 4.02 -0.00 -4.67 117.16 114.44 2pu5 n TYR 52 Ca -0.08 -0.73 0.11 0.00 -0.01 0.00 0.00 57.90 57.18 2pu5 n TYR 52 Cb 0.67 -0.15 0.44 0.00 -0.02 0.00 0.00 39.34 40.28 2pu5 n TYR 52 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 2pu5 n TYR 53 N -0.41 0.60 1.32 -0.72 0.18 0.57 -1.20 117.16 117.50 2pu5 n TYR 53 Ca 0.14 0.24 0.13 0.00 1.88 0.00 0.00 57.90 60.29 2pu5 n TYR 53 Cb 0.59 -0.88 0.42 0.00 -0.38 0.00 0.00 39.34 39.09 2pu5 n TYR 53 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2pu5 n ARG 54 N -2.05 1.09 -0.06 -3.48 1.74 -1.26 -4.35 116.66 108.28 2pu5 n ARG 54 Ca 0.02 -0.64 -0.07 0.00 -0.77 0.00 0.00 57.85 56.39 2pu5 n ARG 54 Cb 0.21 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.08 2pu5 n ARG 54 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pu5 n ASN 55 N -0.39 2.35 -0.12 0.55 4.13 -0.34 -4.78 115.26 116.65 2pu5 n ASN 55 Ca 0.14 -0.02 -0.07 0.00 1.68 0.00 0.00 54.58 56.31 2pu5 n ASN 55 Cb 0.35 0.47 0.01 0.00 -1.54 0.00 0.00 39.78 39.08 2pu5 n ASN 55 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 2pu5 h VAL 56 N 0.00 1.03 0.31 2.41 3.04 -1.58 -2.58 116.25 118.87 2pu5 h VAL 56 Ca -0.32 -0.16 -0.01 0.00 -1.01 0.00 0.00 66.70 65.20 2pu5 h VAL 56 Cb 1.66 0.53 -0.01 0.00 -2.01 0.00 0.00 31.29 31.46 2pu5 h VAL 56 CO -0.00 0.08 -0.20 1.23 -1.01 0.00 0.00 177.57 177.67 2pu5 h GLY 57 N 0.46 -0.52 1.00 3.17 0.00 -1.86 -1.75 103.07 103.57 2pu5 h GLY 57 Ca 0.16 0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.77 2pu5 h GLY 57 CO -0.08 -0.20 0.54 -2.55 0.00 0.00 0.00 176.54 174.24 2pu5 h PRO 58 N -0.50 0.92 -0.26 4.80 0.11 -1.86 -0.26 132.00 134.95 2pu5 h PRO 58 Ca -0.03 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.97 2pu5 h PRO 58 Cb 0.42 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 2pu5 h PRO 58 CO 0.02 0.61 -0.05 0.74 -0.21 0.00 0.00 178.00 179.11 2pu5 h PHE 59 N 0.95 0.55 -0.46 0.65 -1.00 -1.32 -1.13 116.94 115.17 2pu5 h PHE 59 Ca 0.34 -0.11 -0.00 0.00 2.81 0.00 0.00 57.97 61.00 2pu5 h PHE 59 Cb 0.15 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 2pu5 h PHE 59 CO -0.00 0.70 0.27 0.28 -1.61 0.00 0.00 178.31 177.95 2pu5 h VAL 60 N 0.25 1.15 0.00 -0.55 2.07 -1.13 -2.10 116.25 115.93 2pu5 h VAL 60 Ca 0.07 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2pu5 h VAL 60 Cb 0.51 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2pu5 h VAL 60 CO 0.02 0.15 -0.06 -0.78 0.02 0.00 0.00 177.57 176.92 2pu5 h ASP 61 N 0.61 0.00 -0.06 0.57 3.58 -1.01 -1.83 116.42 118.28 2pu5 h ASP 61 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2pu5 h ASP 61 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2pu5 h ASP 61 CO -0.03 0.06 0.00 0.00 -2.88 0.00 0.00 179.24 176.39 2pu5 n ALA 62 N -2.35 2.52 -0.95 -0.78 0.00 -0.43 -4.90 120.51 113.62 2pu5 n ALA 62 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2pu5 n ALA 62 Cb 0.16 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2pu5 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pu5 n GLY 63 N 0.69 0.83 3.76 0.00 0.00 -0.69 -5.06 105.19 104.73 2pu5 n GLY 63 Ca 0.06 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 2pu5 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pu5 s TYR 64 N -2.00 3.13 -0.25 1.61 1.51 -0.94 -4.36 117.35 116.05 2pu5 s TYR 64 Ca 0.00 0.02 -0.21 0.00 -1.01 0.00 0.00 57.07 55.88 2pu5 s TYR 64 Cb 0.00 -1.56 -0.02 0.00 -0.11 0.00 0.00 41.96 40.27 2pu5 s TYR 64 CO 0.00 0.51 0.64 0.50 -1.11 0.00 0.00 175.55 176.09 2pu5 s ARG 65 N -2.64 4.11 -0.16 -0.62 3.52 -0.22 -3.35 118.95 119.59 2pu5 s ARG 65 Ca 0.29 0.56 -0.03 0.00 -0.13 0.00 0.00 55.73 56.42 2pu5 s ARG 65 Cb -0.11 -3.65 -0.02 0.00 -1.56 0.00 0.00 34.95 29.60 2pu5 s ARG 65 CO 0.22 -0.42 -0.05 0.08 -0.81 0.00 0.00 175.30 174.32 2pu5 s VAL 66 N 2.52 3.74 -0.24 7.11 1.01 0.15 -1.01 120.40 133.69 2pu5 s VAL 66 Ca 0.27 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2pu5 s VAL 66 Cb -0.15 -2.64 0.04 0.00 0.00 0.00 0.00 36.38 33.63 2pu5 s VAL 66 CO 0.08 0.49 -0.12 -0.63 0.00 0.00 0.00 175.10 174.92 2pu5 s ILE 67 N 0.48 2.32 -0.53 2.22 1.01 0.02 -2.06 121.20 124.66 2pu5 s ILE 67 Ca -0.04 -1.29 -0.17 0.00 0.00 0.00 0.00 60.65 59.15 2pu5 s ILE 67 Cb -0.14 -2.21 0.10 0.00 0.01 0.00 0.00 42.46 40.21 2pu5 s ILE 67 CO 0.03 0.18 0.53 -0.76 0.00 0.00 0.00 174.94 174.92 2pu5 s LEU 68 N 1.21 5.71 0.07 2.97 1.43 0.12 0.14 118.68 130.33 2pu5 s LEU 68 Ca -0.03 -1.48 -0.17 0.00 -1.03 0.00 0.00 54.13 51.43 2pu5 s LEU 68 Cb -0.17 -2.25 -0.06 0.00 0.03 0.00 0.00 46.19 43.73 2pu5 s LEU 68 CO -0.07 -0.86 0.51 -0.75 0.23 0.00 0.00 176.35 175.41 2pu5 s LYS 69 N 1.97 4.05 -0.23 1.70 2.20 -0.96 0.13 119.74 128.60 2pu5 s LYS 69 Ca 0.07 0.57 -0.15 0.00 -0.36 0.00 0.00 55.97 56.10 2pu5 s LYS 69 Cb -0.26 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 2pu5 s LYS 69 CO 0.06 0.62 0.36 -0.51 -0.36 0.00 0.00 175.35 175.51 2pu5 s ASP 70 N -1.26 6.33 0.83 1.43 1.01 0.61 -4.05 116.67 121.55 2pu5 s ASP 70 Ca 0.30 0.38 -0.11 0.00 0.71 0.00 0.00 52.55 53.82 2pu5 s ASP 70 Cb -0.17 -2.21 0.09 0.00 1.01 0.00 0.00 42.92 41.64 2pu5 s ASP 70 CO 0.17 -0.10 1.09 -0.44 0.21 0.00 0.00 175.17 176.10 2pu5 s SER 71 N 1.27 4.12 0.16 0.27 0.01 -1.26 -4.55 113.70 113.72 2pu5 s SER 71 Ca 0.16 1.51 -0.34 0.00 1.31 0.00 0.00 55.95 58.59 2pu5 s SER 71 Cb -0.15 -2.22 -0.14 0.00 0.21 0.00 0.00 66.02 63.71 2pu5 s SER 71 CO 0.08 -2.23 1.48 -2.65 0.41 0.00 0.00 173.24 170.33 2pu5 n PRO 72 N -3.62 1.89 -1.31 12.44 -0.02 -1.26 -1.73 135.00 141.39 2pu5 n PRO 72 Ca 0.07 0.68 -0.04 0.00 -2.02 0.00 0.00 63.50 62.19 2pu5 n PRO 72 Cb 0.55 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 2pu5 n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pu5 n GLY 73 N 2.96 0.59 3.03 -1.23 0.00 0.12 -4.90 105.19 105.76 2pu5 n GLY 73 Ca 0.16 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 2pu5 n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pu5 s PHE 74 N -2.16 0.62 0.00 1.61 0.40 -0.70 -4.78 117.98 112.97 2pu5 s PHE 74 Ca 0.00 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 2pu5 s PHE 74 Cb 0.00 -0.38 0.00 0.00 0.51 0.00 0.00 43.02 43.15 2pu5 s PHE 74 CO 0.00 -0.05 0.00 -1.71 0.70 0.00 0.00 175.22 174.16 2pu5 n ASN 75 N 2.08 0.00 -0.26 1.36 5.15 -1.24 -1.67 115.26 120.68 2pu5 n ASN 75 Ca -0.19 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 53.91 2pu5 n ASN 75 Cb 0.56 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.87 2pu5 n ASN 75 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2pu5 n LYS 76 N 14.00 0.69 -0.80 1.20 5.02 -1.26 -4.93 118.16 132.07 2pu5 n LYS 76 Ca 0.00 -0.53 -0.29 0.00 -2.02 0.00 0.00 58.31 55.47 2pu5 n LYS 76 Cb 0.00 -1.49 0.20 0.00 -0.02 0.00 0.00 35.03 33.72 2pu5 n LYS 76 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2pu5 s SER 77 N -2.68 2.07 0.77 4.39 0.01 -0.67 -4.46 113.70 113.13 2pu5 s SER 77 Ca 0.16 1.58 -0.14 0.00 1.31 0.00 0.00 55.95 58.85 2pu5 s SER 77 Cb 0.18 -2.26 0.06 0.00 0.21 0.00 0.00 66.02 64.21 2pu5 s SER 77 CO 0.66 -3.53 1.21 0.47 0.41 0.00 0.00 173.24 172.45 2pu5 n ASP 78 N -4.48 1.23 -4.86 2.44 8.00 -0.13 -4.55 116.55 114.20 2pu5 n ASP 78 Ca 0.06 0.64 -0.31 0.00 0.71 0.00 0.00 54.79 55.89 2pu5 n ASP 78 Cb 0.54 -1.51 -0.02 0.00 -0.02 0.00 0.00 41.12 40.11 2pu5 n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pu5 s ALA 79 N -1.94 3.13 -0.28 2.24 0.00 -1.26 0.12 121.76 123.76 2pu5 s ALA 79 Ca 0.75 0.04 -0.24 0.00 0.00 0.00 0.00 51.96 52.51 2pu5 s ALA 79 Cb -0.31 -3.03 0.12 0.00 0.00 0.00 0.00 23.12 19.90 2pu5 s ALA 79 CO 0.48 -0.32 1.02 0.54 0.00 0.00 0.00 175.76 177.48 2pu5 s VAL 80 N -2.73 0.00 -0.34 0.00 0.11 -1.26 -4.75 120.40 111.43 2pu5 s VAL 80 Ca 0.56 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.46 2pu5 s VAL 80 Cb -0.10 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 2pu5 s VAL 80 CO 0.37 0.00 0.36 -0.69 -3.33 0.00 0.00 175.10 171.82 2pu5 s VAL 81 N 0.37 5.17 -0.12 2.04 1.01 -1.26 -4.68 120.40 122.93 2pu5 s VAL 81 Ca 0.02 0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 2pu5 s VAL 81 Cb -0.05 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2pu5 s VAL 81 CO -0.07 -0.08 0.51 -0.04 0.00 0.00 0.00 175.10 175.42 2pu5 s MET 82 N 2.02 4.34 0.00 2.72 -1.94 -1.26 -4.97 119.30 120.21 2pu5 s MET 82 Ca 0.12 0.51 0.22 0.00 -1.71 0.00 0.00 55.69 54.83 2pu5 s MET 82 Cb -0.16 -3.45 0.52 0.00 2.01 0.00 0.00 34.83 33.75 2pu5 s MET 82 CO 0.12 0.12 1.46 -0.40 -0.01 0.00 0.00 175.02 176.30 2pu5 n ASP 83 N 3.78 3.46 -4.49 3.03 5.75 -1.26 -4.39 116.55 122.42 2pu5 n ASP 83 Ca -0.06 -1.98 -0.24 0.00 -0.01 0.00 0.00 54.79 52.50 2pu5 n ASP 83 Cb 0.51 -0.33 -0.10 0.00 -1.03 0.00 0.00 41.12 40.17 2pu5 n ASP 83 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2pu5 s GLU 84 N -1.34 1.70 0.33 0.11 2.02 -1.26 -4.77 118.70 115.48 2pu5 s GLU 84 Ca 0.42 -1.87 -0.29 0.00 0.02 0.00 0.00 54.97 53.25 2pu5 s GLU 84 Cb 0.23 -1.48 -0.12 0.00 0.10 0.00 0.00 34.13 32.86 2pu5 s GLU 84 CO 0.31 0.11 1.40 0.00 0.02 0.00 0.00 175.26 177.10 2pu5 n GLN 85 N -0.70 2.33 0.10 1.61 -0.00 -1.26 -4.86 117.38 114.60 2pu5 n GLN 85 Ca -0.05 0.82 -0.04 0.00 -0.00 0.00 0.00 57.00 57.73 2pu5 n GLN 85 Cb 0.63 -2.48 0.03 0.00 -0.00 0.00 0.00 30.24 28.42 2pu5 n GLN 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2pu5 h ARG 86 N 3.22 0.00 -0.83 2.61 3.08 -1.94 -1.83 114.38 118.69 2pu5 h ARG 86 Ca -0.47 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 2pu5 h ARG 86 Cb 1.26 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.27 2pu5 h ARG 86 CO 0.67 0.80 0.48 0.78 -1.07 0.00 0.00 179.97 181.63 2pu5 h GLY 87 N 2.44 1.22 0.60 0.04 0.00 -1.88 0.98 103.07 106.47 2pu5 h GLY 87 Ca -0.01 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 46.66 2pu5 h GLY 87 CO 0.10 0.50 -0.58 -2.00 0.00 0.00 0.00 176.54 174.57 2pu5 h LEU 88 N 1.15 0.40 -0.53 3.11 5.85 -1.79 -2.19 115.31 121.32 2pu5 h LEU 88 Ca 0.30 -0.88 0.03 0.00 0.84 0.00 0.00 57.88 58.17 2pu5 h LEU 88 Cb -0.02 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 2pu5 h LEU 88 CO -0.05 1.24 0.30 0.58 -0.34 0.00 0.00 178.44 180.16 2pu5 h VAL 89 N -0.39 1.02 0.00 1.05 2.07 -1.23 -0.57 116.25 118.20 2pu5 h VAL 89 Ca -0.09 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 2pu5 h VAL 89 Cb 1.38 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2pu5 h VAL 89 CO 0.11 0.11 -0.15 0.78 0.02 0.00 0.00 177.57 178.44 2pu5 h ASN 90 N 0.59 0.00 0.11 0.57 4.21 0.97 -2.40 115.58 119.62 2pu5 h ASN 90 Ca 0.22 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 57.46 2pu5 h ASN 90 Cb 0.07 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.30 2pu5 h ASN 90 CO -0.12 0.15 -1.14 0.00 -1.29 0.00 0.00 177.43 175.03 2pu5 h ALA 91 N 1.85 -0.01 -0.97 -0.83 0.00 -0.84 -1.48 119.26 116.97 2pu5 h ALA 91 Ca -0.00 -0.74 0.08 0.00 0.00 0.00 0.00 54.91 54.24 2pu5 h ALA 91 Cb 0.28 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2pu5 h ALA 91 CO 0.02 0.62 0.61 0.00 0.00 0.00 0.00 179.25 180.50 2pu5 h ARG 92 N 0.17 1.05 -0.71 0.00 3.08 -0.89 -1.88 114.38 115.20 2pu5 h ARG 92 Ca -0.17 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 2pu5 h ARG 92 Cb 1.83 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 31.61 2pu5 h ARG 92 CO 0.22 0.70 0.30 0.00 -1.07 0.00 0.00 179.97 180.11 2pu5 h ALA 93 N 1.46 1.18 -0.47 0.04 0.00 -1.30 0.06 119.26 120.23 2pu5 h ALA 93 Ca 0.43 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2pu5 h ALA 93 Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2pu5 h ALA 93 CO -0.19 0.60 -0.01 0.28 0.00 0.00 0.00 179.25 179.93 2pu5 h VAL 94 N 1.03 1.24 -0.12 0.00 2.07 -0.74 0.10 116.25 119.84 2pu5 h VAL 94 Ca 0.24 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 2pu5 h VAL 94 Cb 0.17 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2pu5 h VAL 94 CO -0.02 0.35 -0.04 0.50 0.02 0.00 0.00 177.57 178.38 2pu5 h LYS 95 N 0.73 0.23 -0.68 1.57 3.11 -1.12 -1.99 116.57 118.42 2pu5 h LYS 95 Ca 0.14 -0.10 0.10 0.00 -2.81 0.00 0.00 60.65 57.99 2pu5 h LYS 95 Cb 0.46 -0.01 -0.08 0.00 -1.00 0.00 0.00 32.23 31.60 2pu5 h LYS 95 CO 0.02 0.56 0.29 0.78 -2.81 0.00 0.00 179.45 178.30 2pu5 h GLY 96 N -0.11 1.00 1.25 5.01 0.00 -0.65 -0.09 103.07 109.49 2pu5 h GLY 96 Ca 0.03 -0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 2pu5 h GLY 96 CO 0.01 -0.00 -0.10 -2.00 0.00 0.00 0.00 176.54 174.45 2pu5 h LEU 97 N 0.49 0.88 -0.61 3.11 6.46 -0.87 -2.03 115.31 122.74 2pu5 h LEU 97 Ca 0.35 -0.27 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 2pu5 h LEU 97 Cb 0.43 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 2pu5 h LEU 97 CO -0.31 1.00 0.35 0.24 -0.62 0.00 0.00 178.44 179.10 2pu5 h MET 98 N 0.80 0.84 0.58 1.25 2.86 -0.50 -1.38 114.93 119.37 2pu5 h MET 98 Ca 0.13 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2pu5 h MET 98 Cb 0.62 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2pu5 h MET 98 CO 0.04 0.62 -0.29 -0.44 1.06 0.00 0.00 176.91 177.90 2pu5 h ASP 99 N 0.83 -0.69 -0.45 1.22 5.19 -1.00 0.32 116.42 121.84 2pu5 h ASP 99 Ca 0.22 0.03 0.09 0.00 -0.62 0.00 0.00 57.03 56.74 2pu5 h ASP 99 Cb 0.01 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 2pu5 h ASP 99 CO -0.04 -0.48 0.31 0.00 -3.12 0.00 0.00 179.24 175.90 2pu5 h ALA 100 N -0.37 2.14 -0.22 3.45 0.00 -1.30 -2.03 119.26 120.93 2pu5 h ALA 100 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2pu5 h ALA 100 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2pu5 h ALA 100 CO 0.12 -0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.40 2pu5 n LEU 101 N -4.46 3.18 -0.87 0.00 4.77 -0.53 -4.96 117.00 114.13 2pu5 n LEU 101 Ca 0.07 -1.28 -0.08 0.00 -0.03 0.00 0.00 56.01 54.70 2pu5 n LEU 101 Cb 0.37 -0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2pu5 n LEU 101 CO 0.35 0.62 -0.09 0.47 -1.33 0.00 0.00 177.39 177.41 2pu5 n ASP 102 N 1.37 -2.79 -4.59 -1.43 8.00 0.53 -5.00 116.55 112.64 2pu5 n ASP 102 Ca 0.16 -0.01 -0.37 0.00 0.71 0.00 0.00 54.79 55.28 2pu5 n ASP 102 Cb 0.58 -2.10 -0.11 0.00 -0.02 0.00 0.00 41.12 39.48 2pu5 n ASP 102 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pu5 s ILE 103 N -2.39 5.16 0.03 0.53 1.01 0.81 -4.97 121.20 121.39 2pu5 s ILE 103 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.64 2pu5 s ILE 103 Cb -0.00 -3.44 -0.34 0.00 0.01 0.00 0.00 42.46 38.70 2pu5 s ILE 103 CO 0.00 0.29 0.97 0.44 0.00 0.00 0.00 174.94 176.65 2pu5 h ASP 104 N 8.08 0.73 -3.71 3.58 3.32 -1.94 -3.40 116.42 123.08 2pu5 h ASP 104 Ca -0.36 -0.82 -0.15 0.00 0.02 0.00 0.00 57.03 55.71 2pu5 h ASP 104 Cb 1.18 -0.24 -0.26 0.00 0.22 0.00 0.00 39.33 40.24 2pu5 h ASP 104 CO 0.59 1.65 -0.37 -0.60 -1.72 0.00 0.00 179.24 178.79 2pu5 s ARG 105 N -2.61 0.34 -0.01 3.56 3.00 -1.26 -4.50 118.95 117.47 2pu5 s ARG 105 Ca -0.09 0.49 -0.02 0.00 -1.00 0.00 0.00 55.73 55.10 2pu5 s ARG 105 Cb 0.05 0.11 -0.00 0.00 0.00 0.00 0.00 34.95 35.11 2pu5 s ARG 105 CO 0.92 -0.07 0.05 0.00 0.00 0.00 0.00 175.30 176.20 2pu5 s ALA 106 N 0.46 -0.12 0.40 6.12 0.00 -0.87 -4.56 121.76 123.19 2pu5 s ALA 106 Ca -0.02 -0.03 -0.24 0.00 0.00 0.00 0.00 51.96 51.67 2pu5 s ALA 106 Cb -0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.97 2pu5 s ALA 106 CO -0.02 -0.08 1.05 -1.01 0.00 0.00 0.00 175.76 175.69 2pu5 s HIS 107 N -0.49 3.26 -0.12 0.00 3.76 0.17 -1.10 115.29 120.77 2pu5 s HIS 107 Ca -0.06 1.64 0.02 0.00 -0.15 0.00 0.00 55.06 56.51 2pu5 s HIS 107 Cb -0.04 -3.13 -0.01 0.00 1.11 0.00 0.00 32.58 30.52 2pu5 s HIS 107 CO 0.00 -0.64 -0.18 -0.51 -0.85 0.00 0.00 174.74 172.55 2pu5 s LEU 108 N -2.66 2.40 -0.21 0.89 1.43 -0.61 0.06 118.68 119.98 2pu5 s LEU 108 Ca 0.58 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 53.19 2pu5 s LEU 108 Cb -0.22 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 2pu5 s LEU 108 CO 0.27 0.16 -0.04 -0.69 0.23 0.00 0.00 176.35 176.28 2pu5 s VAL 109 N 0.37 3.50 -0.10 -1.59 1.01 0.10 -0.69 120.40 123.00 2pu5 s VAL 109 Ca -0.14 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.40 2pu5 s VAL 109 Cb -0.17 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.65 2pu5 s VAL 109 CO 0.07 0.43 -0.17 -0.83 0.00 0.00 0.00 175.10 174.61 2pu5 s GLY 110 N 1.23 1.05 -0.24 4.51 0.00 -0.59 -0.58 107.32 112.70 2pu5 s GLY 110 Ca 0.03 -0.72 -0.07 0.00 0.00 0.00 0.00 44.72 43.96 2pu5 s GLY 110 CO -0.01 0.07 0.06 0.21 0.00 0.00 0.00 173.10 173.43 2pu5 s ASN 111 N 0.75 5.05 1.94 1.64 2.47 -0.30 -1.05 114.94 125.45 2pu5 s ASN 111 Ca -0.11 -0.22 0.00 0.00 0.42 0.00 0.00 52.86 52.95 2pu5 s ASN 111 Cb -0.16 -1.90 0.00 0.00 -1.45 0.00 0.00 41.25 37.74 2pu5 s ASN 111 CO 0.02 -0.03 0.00 -0.24 -3.72 0.00 0.00 177.10 173.13 2pu5 n SER 112 N 4.87 0.00 -0.34 -4.21 2.88 -0.93 0.20 113.62 116.09 2pu5 n SER 112 Ca -0.16 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.56 2pu5 n SER 112 Cb 0.51 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 64.39 2pu5 n SER 112 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2pu5 h MET 113 N 0.00 0.54 0.00 -1.46 1.85 -1.88 0.34 114.93 114.33 2pu5 h MET 113 Ca 0.00 -0.03 -0.09 0.00 -0.61 0.00 0.00 59.70 58.97 2pu5 h MET 113 Cb 0.00 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 31.89 2pu5 h MET 113 CO 0.00 0.36 -0.41 0.78 -0.40 0.00 0.00 176.91 177.24 2pu5 h GLY 114 N 0.56 0.00 0.91 1.39 0.00 0.58 0.14 103.07 106.64 2pu5 h GLY 114 Ca 0.61 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.83 2pu5 h GLY 114 CO -0.40 0.00 -0.27 -1.33 0.00 0.00 0.00 176.54 174.54 2pu5 h GLY 115 N 1.71 0.66 0.41 4.60 0.00 -0.79 0.35 103.07 110.00 2pu5 h GLY 115 Ca -0.00 -0.69 0.12 0.00 0.00 0.00 0.00 47.33 46.75 2pu5 h GLY 115 CO 0.05 0.63 0.49 0.00 0.00 0.00 0.00 176.54 177.71 2pu5 h ALA 116 N 0.66 1.28 -0.23 3.60 0.00 -0.21 0.35 119.26 124.71 2pu5 h ALA 116 Ca 0.03 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 2pu5 h ALA 116 Cb 0.84 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2pu5 h ALA 116 CO 0.07 0.05 -0.52 1.15 0.00 0.00 0.00 179.25 180.00 2pu5 h THR 117 N 0.77 1.30 -0.53 0.00 2.02 -0.39 -1.87 112.91 114.20 2pu5 h THR 117 Ca 0.44 -1.73 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 2pu5 h THR 117 Cb 0.49 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 2pu5 h THR 117 CO -0.29 0.55 0.28 0.00 0.37 0.00 0.00 175.52 176.44 2pu5 h ALA 118 N 0.63 0.68 -0.21 6.16 0.00 0.26 -1.54 119.26 125.23 2pu5 h ALA 118 Ca 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2pu5 h ALA 118 Cb 1.14 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2pu5 h ALA 118 CO 0.12 0.21 -0.07 -0.07 0.00 0.00 0.00 179.25 179.43 2pu5 h LEU 119 N 0.71 -0.26 -1.12 0.00 3.38 -0.67 -1.91 115.31 115.44 2pu5 h LEU 119 Ca 0.19 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.28 2pu5 h LEU 119 Cb 0.06 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 2pu5 h LEU 119 CO -0.03 -0.10 0.60 0.78 0.09 0.00 0.00 178.44 179.78 2pu5 h ASN 120 N -0.04 0.97 -0.38 -0.43 2.35 -1.22 0.10 115.58 116.94 2pu5 h ASN 120 Ca 0.11 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2pu5 h ASN 120 Cb 0.20 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 2pu5 h ASN 120 CO -0.24 0.64 0.17 0.15 -1.65 0.00 0.00 177.43 176.51 2pu5 h PHE 121 N 1.11 0.55 -0.60 1.19 3.57 -0.98 0.28 116.94 122.06 2pu5 h PHE 121 Ca 0.38 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 2pu5 h PHE 121 Cb 0.10 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2pu5 h PHE 121 CO -0.00 0.47 0.24 0.00 -2.23 0.00 0.00 178.31 176.79 2pu5 h ALA 122 N 1.02 1.30 -0.36 2.41 0.00 -1.07 0.15 119.26 122.71 2pu5 h ALA 122 Ca 0.13 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2pu5 h ALA 122 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2pu5 h ALA 122 CO -0.01 0.52 -0.01 -0.07 0.00 0.00 0.00 179.25 179.68 2pu5 h LEU 123 N 0.86 0.63 0.06 0.00 3.38 -0.53 -3.15 115.31 116.56 2pu5 h LEU 123 Ca 0.20 -0.32 -0.27 0.00 0.09 0.00 0.00 57.88 57.59 2pu5 h LEU 123 Cb 0.16 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2pu5 h LEU 123 CO -0.02 0.79 -1.38 -0.33 0.09 0.00 0.00 178.44 177.59 2pu5 h GLU 124 N 0.45 0.12 -2.07 1.13 4.39 -0.29 -3.39 114.58 114.92 2pu5 h GLU 124 Ca 0.10 -0.20 -0.52 0.00 0.34 0.00 0.00 59.36 59.08 2pu5 h GLU 124 Cb 0.48 0.07 -0.41 0.00 -0.10 0.00 0.00 28.75 28.80 2pu5 h GLU 124 CO 0.02 0.95 -1.01 0.66 -1.16 0.00 0.00 179.01 178.48 2pu5 n TYR 125 N -3.34 1.55 -0.07 4.33 4.02 0.50 -4.93 117.16 119.23 2pu5 n TYR 125 Ca -0.11 -3.85 0.25 0.00 -0.01 0.00 0.00 57.90 54.18 2pu5 n TYR 125 Cb 1.01 -0.44 0.72 0.00 -0.02 0.00 0.00 39.34 40.61 2pu5 n TYR 125 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2pu5 h PRO 126 N 2.99 0.00 -0.00 -0.72 0.13 -1.69 0.34 132.00 133.04 2pu5 h PRO 126 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2pu5 h PRO 126 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2pu5 h PRO 126 CO 0.61 0.00 -0.19 -0.25 -0.23 0.00 0.00 178.00 177.94 2pu5 n ASP 127 N -3.99 0.36 -0.71 1.44 8.00 -1.26 -3.59 116.55 116.80 2pu5 n ASP 127 Ca 0.14 -0.19 0.09 0.00 0.71 0.00 0.00 54.79 55.55 2pu5 n ASP 127 Cb 0.85 -0.10 0.07 0.00 -0.02 0.00 0.00 41.12 41.92 2pu5 n ASP 127 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2pu5 n ARG 128 N -1.25 1.57 -4.30 -1.24 5.12 0.12 -4.83 116.66 111.85 2pu5 n ARG 128 Ca 0.10 -1.53 -0.34 0.00 -1.93 0.00 0.00 57.85 54.14 2pu5 n ARG 128 Cb 0.31 -1.35 -0.09 0.00 -1.16 0.00 0.00 32.46 30.17 2pu5 n ARG 128 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2pu5 s ILE 129 N -1.59 4.38 0.00 0.55 2.07 -1.20 -2.04 121.20 123.36 2pu5 s ILE 129 Ca 0.21 -0.33 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 2pu5 s ILE 129 Cb 0.15 -2.89 0.00 0.00 0.13 0.00 0.00 42.46 39.85 2pu5 s ILE 129 CO 0.25 0.52 0.00 0.61 -1.91 0.00 0.00 174.94 174.41 2pu5 n GLY 130 N 1.85 0.56 3.89 1.50 0.00 -0.26 -4.80 105.19 107.93 2pu5 n GLY 130 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 2pu5 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pu5 s LYS 131 N 1.21 3.66 -0.17 1.61 1.02 -1.26 -4.42 119.74 121.40 2pu5 s LYS 131 Ca 0.00 0.34 0.01 0.00 0.02 0.00 0.00 55.97 56.34 2pu5 s LYS 131 Cb 0.00 -2.38 0.02 0.00 -0.52 0.00 0.00 37.83 34.94 2pu5 s LYS 131 CO 0.00 -0.12 -0.20 -1.17 -0.92 0.00 0.00 175.35 172.94 2pu5 s LEU 132 N -4.28 2.07 -0.11 3.17 2.96 -0.80 -1.58 118.68 120.12 2pu5 s LEU 132 Ca 0.49 -0.62 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 2pu5 s LEU 132 Cb -0.10 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 2pu5 s LEU 132 CO 0.38 0.01 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.60 2pu5 s ILE 133 N 1.19 2.48 -0.02 6.68 1.09 0.13 -0.88 121.20 131.87 2pu5 s ILE 133 Ca 0.02 -0.87 0.07 0.00 -1.10 0.00 0.00 60.65 58.77 2pu5 s ILE 133 Cb -0.14 -1.99 -0.02 0.00 -1.06 0.00 0.00 42.46 39.25 2pu5 s ILE 133 CO -0.10 0.54 -0.22 -0.76 -0.10 0.00 0.00 174.94 174.31 2pu5 s LEU 134 N 0.34 2.04 -0.29 2.97 1.43 0.44 -1.55 118.68 124.07 2pu5 s LEU 134 Ca -0.16 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 2pu5 s LEU 134 Cb -0.17 -1.13 0.10 0.00 0.03 0.00 0.00 46.19 45.01 2pu5 s LEU 134 CO 0.08 0.27 0.11 -0.32 0.23 0.00 0.00 176.35 176.71 2pu5 s MET 135 N -0.51 0.43 -0.61 1.70 1.75 -0.21 -0.99 119.30 120.86 2pu5 s MET 135 Ca 0.08 -0.74 -0.09 0.00 -1.25 0.00 0.00 55.69 53.69 2pu5 s MET 135 Cb -0.09 -1.59 0.01 0.00 2.84 0.00 0.00 34.83 36.01 2pu5 s MET 135 CO -0.01 -0.97 0.39 0.41 -0.65 0.00 0.00 175.02 174.19 2pu5 n GLY 136 N 5.07 -0.69 3.76 2.11 0.00 -0.70 -2.28 105.19 112.46 2pu5 n GLY 136 Ca -0.05 0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 2pu5 n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pu5 s PRO 137 N -4.98 3.24 0.00 1.61 0.04 -1.26 -2.19 135.00 131.46 2pu5 s PRO 137 Ca 0.13 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2pu5 s PRO 137 Cb -0.07 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2pu5 s PRO 137 CO 0.58 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.99 2pu5 n GLY 138 N 0.60 1.77 2.53 0.56 0.00 -0.63 -4.78 105.19 105.25 2pu5 n GLY 138 Ca 0.11 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.94 2pu5 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pu5 n GLY 139 N 5.00 0.10 0.00 -0.02 0.00 -1.26 -3.76 105.19 105.25 2pu5 n GLY 139 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2pu5 n GLY 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pu5 n LEU 140 N -2.63 0.03 0.00 0.99 4.77 -1.26 -1.71 117.00 117.19 2pu5 n LEU 140 Ca -0.02 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2pu5 n LEU 140 Cb 0.55 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2pu5 n LEU 140 CO 0.31 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2pu5 n GLY 141 N -0.01 -1.32 3.77 -0.72 0.00 -1.26 -4.88 105.19 100.77 2pu5 n GLY 141 Ca 0.00 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 2pu5 n GLY 141 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2pu5 s PRO 142 N 0.00 2.00 0.05 1.61 0.02 -1.26 -5.05 135.00 132.36 2pu5 s PRO 142 Ca 0.00 0.86 -0.00 0.00 0.02 0.00 0.00 61.00 61.88 2pu5 s PRO 142 Cb 0.00 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 2pu5 s PRO 142 CO 0.00 -1.74 0.20 0.45 -0.33 0.00 0.00 177.00 175.58 2pu5 s SER 143 N -3.62 6.32 0.00 2.53 0.15 -1.26 -5.00 113.70 112.82 2pu5 s SER 143 Ca 0.61 0.27 0.30 0.00 0.70 0.00 0.00 55.95 57.84 2pu5 s SER 143 Cb -0.16 -1.95 1.49 0.00 -1.71 0.00 0.00 66.02 63.69 2pu5 s SER 143 CO 0.56 0.19 2.01 0.23 1.20 0.00 0.00 173.24 177.42 2pu5 n MET 144 N 0.45 0.86 0.00 5.44 2.81 -1.26 -4.35 117.12 121.07 2pu5 n MET 144 Ca -0.06 -0.20 0.00 0.00 -1.81 0.00 0.00 57.70 55.62 2pu5 n MET 144 Cb 0.51 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 2pu5 n MET 144 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2pu5 n PHE 145 N -0.89 0.00 -3.16 2.03 3.01 -1.26 -5.08 117.46 112.11 2pu5 n PHE 145 Ca 0.18 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.25 2pu5 n PHE 145 Cb 0.22 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.63 2pu5 n PHE 145 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pu5 s ALA 146 N -1.09 3.52 0.46 4.37 0.00 -1.26 -5.03 121.76 122.73 2pu5 s ALA 146 Ca 0.00 -0.26 -0.25 0.00 0.00 0.00 0.00 51.96 51.45 2pu5 s ALA 146 Cb 0.00 -2.91 -0.08 0.00 0.00 0.00 0.00 23.12 20.13 2pu5 s ALA 146 CO 0.00 -0.45 1.35 -2.30 0.00 0.00 0.00 175.76 174.36 2pu5 n PRO 147 N 4.78 2.02 -4.33 0.00 -0.02 -1.26 -4.51 135.00 131.67 2pu5 n PRO 147 Ca -0.03 0.72 -0.24 0.00 -2.02 0.00 0.00 63.50 61.94 2pu5 n PRO 147 Cb 0.50 -2.51 -0.12 0.00 -0.02 0.00 0.00 33.50 31.35 2pu5 n PRO 147 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2pu5 s MET 148 N -2.42 1.26 0.38 -0.52 -1.94 -1.26 -3.76 119.30 111.04 2pu5 s MET 148 Ca 0.63 -1.33 -0.27 0.00 -1.71 0.00 0.00 55.69 53.00 2pu5 s MET 148 Cb -0.47 -1.46 -0.10 0.00 2.01 0.00 0.00 34.83 34.82 2pu5 s MET 148 CO 0.56 0.32 1.33 -1.25 -0.01 0.00 0.00 175.02 175.98 2pu5 s PRO 149 N -2.41 4.12 0.89 2.03 0.04 -1.26 -5.13 135.00 133.28 2pu5 s PRO 149 Ca 0.13 2.25 -0.10 0.00 0.04 0.00 0.00 61.00 63.31 2pu5 s PRO 149 Cb -0.08 -2.90 0.13 0.00 0.04 0.00 0.00 34.50 31.70 2pu5 s PRO 149 CO 0.06 -0.40 1.14 -1.64 0.04 0.00 0.00 177.00 176.21 2pu5 s MET 150 N -2.07 1.22 0.24 4.56 -1.94 -1.25 -4.75 119.30 115.32 2pu5 s MET 150 Ca 0.54 1.52 -0.15 0.00 -1.71 0.00 0.00 55.69 55.89 2pu5 s MET 150 Cb -0.40 -1.75 0.29 0.00 2.01 0.00 0.00 34.83 34.97 2pu5 s MET 150 CO 0.53 -2.48 1.57 0.93 -0.01 0.00 0.00 175.02 175.56 2pu5 h GLU 151 N -1.70 -0.03 -0.68 2.03 5.08 -1.88 -1.44 114.58 115.96 2pu5 h GLU 151 Ca -0.43 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.97 2pu5 h GLU 151 Cb 1.27 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 2pu5 h GLU 151 CO 0.43 -0.02 0.41 0.78 -1.00 0.00 0.00 179.01 179.61 2pu5 h GLY 152 N -0.03 0.99 1.04 -3.84 0.00 -1.28 -2.35 103.07 97.59 2pu5 h GLY 152 Ca 0.36 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 2pu5 h GLY 152 CO -0.91 0.23 0.38 -2.22 0.00 0.00 0.00 176.54 174.01 2pu5 h ILE 153 N 0.78 1.26 0.00 2.60 1.08 -1.52 0.12 117.51 121.83 2pu5 h ILE 153 Ca 0.29 -0.74 -0.00 0.00 -0.39 0.00 0.00 64.86 64.02 2pu5 h ILE 153 Cb 0.09 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.06 2pu5 h ILE 153 CO -0.14 0.31 -0.50 1.17 -0.69 0.00 0.00 178.15 178.30 2pu5 n LYS 154 N -4.32 1.54 -0.18 2.37 4.81 -0.82 -1.33 118.16 120.22 2pu5 n LYS 154 Ca 0.08 -3.26 -0.09 0.00 -0.87 0.00 0.00 58.31 54.17 2pu5 n LYS 154 Cb 0.15 -1.58 0.01 0.00 0.02 0.00 0.00 35.03 33.63 2pu5 n LYS 154 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2pu5 h LEU 155 N 0.98 0.83 -0.54 3.14 3.38 -1.18 0.16 115.31 122.09 2pu5 h LEU 155 Ca -0.01 -0.27 0.11 0.00 0.09 0.00 0.00 57.88 57.80 2pu5 h LEU 155 Cb 1.02 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 2pu5 h LEU 155 CO 0.00 0.89 -0.12 0.25 0.09 0.00 0.00 178.44 179.55 2pu5 h LEU 156 N 0.75 -0.48 -0.04 1.67 6.46 -0.44 0.42 115.31 123.64 2pu5 h LEU 156 Ca 0.16 0.16 -0.26 0.00 -0.12 0.00 0.00 57.88 57.82 2pu5 h LEU 156 Cb 0.42 0.33 0.02 0.00 -0.73 0.00 0.00 40.66 40.70 2pu5 h LEU 156 CO 0.01 -0.17 -0.98 -0.26 -0.62 0.00 0.00 178.44 176.42 2pu5 h PHE 157 N 0.01 1.05 -0.92 1.25 -1.00 -0.87 -0.96 116.94 115.51 2pu5 h PHE 157 Ca 0.26 -0.55 0.08 0.00 2.81 0.00 0.00 57.97 60.58 2pu5 h PHE 157 Cb 0.40 -0.13 -0.07 0.00 3.61 0.00 0.00 35.95 39.76 2pu5 h PHE 157 CO -0.44 1.38 0.57 -0.22 -1.61 0.00 0.00 178.31 177.99 2pu5 h LYS 158 N 0.43 0.95 -0.19 1.51 3.64 -0.19 -0.61 116.57 122.11 2pu5 h LYS 158 Ca -0.11 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.03 2pu5 h LYS 158 Cb 1.63 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 33.23 2pu5 h LYS 158 CO 0.19 0.63 -0.60 1.25 -2.27 0.00 0.00 179.45 178.66 2pu5 h LEU 159 N 0.98 0.73 -0.53 5.20 5.85 0.05 0.21 115.31 127.80 2pu5 h LEU 159 Ca 0.42 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2pu5 h LEU 159 Cb 0.29 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2pu5 h LEU 159 CO -0.21 1.16 0.27 1.88 -0.34 0.00 0.00 178.44 181.20 2pu5 h TYR 160 N 0.48 0.74 0.04 1.25 -1.99 -0.69 -2.44 116.97 114.36 2pu5 h TYR 160 Ca -0.00 -0.03 -0.23 0.00 2.00 0.00 0.00 58.73 60.47 2pu5 h TYR 160 Cb 1.17 -0.23 0.02 0.00 2.00 0.00 0.00 36.73 39.69 2pu5 h TYR 160 CO 0.06 0.56 -0.93 0.00 -0.00 0.00 0.00 178.16 177.85 2pu5 h ALA 161 N 1.11 0.06 -2.75 3.88 0.00 -0.97 -3.40 119.26 117.19 2pu5 h ALA 161 Ca 0.18 -0.67 -0.61 0.00 0.00 0.00 0.00 54.91 53.81 2pu5 h ALA 161 Cb 0.08 0.07 -0.42 0.00 0.00 0.00 0.00 17.79 17.52 2pu5 h ALA 161 CO -0.03 0.55 -0.63 -0.85 0.00 0.00 0.00 179.25 178.29 2pu5 n GLU 162 N -3.98 1.82 -1.90 0.00 0.28 0.72 -5.07 120.64 112.51 2pu5 n GLU 162 Ca -0.12 -4.37 -0.42 0.00 -0.16 0.00 0.00 57.16 52.10 2pu5 n GLU 162 Cb 0.83 -2.18 -0.03 0.00 1.43 0.00 0.00 31.44 31.49 2pu5 n GLU 162 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2pu5 s PRO 163 N -1.58 4.20 0.03 3.44 0.04 -0.92 -4.58 135.00 135.62 2pu5 s PRO 163 Ca 0.30 2.42 -0.12 0.00 0.04 0.00 0.00 61.00 63.64 2pu5 s PRO 163 Cb 0.02 -3.11 0.01 0.00 0.04 0.00 0.00 34.50 31.47 2pu5 s PRO 163 CO -0.13 -0.59 0.26 -1.54 0.04 0.00 0.00 177.00 175.04 2pu5 s SER 164 N 0.85 -0.07 0.32 6.66 1.04 -1.26 -5.05 113.70 116.18 2pu5 s SER 164 Ca 0.67 -0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.93 2pu5 s SER 164 Cb -0.45 0.32 0.55 0.00 0.10 0.00 0.00 66.02 66.54 2pu5 s SER 164 CO 0.37 -0.55 1.86 0.22 0.98 0.00 0.00 173.24 176.12 2pu5 h TYR 165 N 3.48 0.61 -0.18 5.02 3.20 -2.00 -2.57 116.97 124.53 2pu5 h TYR 165 Ca -0.31 -0.06 -0.15 0.00 3.14 0.00 0.00 58.73 61.34 2pu5 h TYR 165 Cb 1.19 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.29 2pu5 h TYR 165 CO 0.49 0.58 -0.47 1.49 -1.64 0.00 0.00 178.16 178.61 2pu5 h GLU 166 N 0.57 0.64 -0.14 1.82 4.57 -1.98 -0.63 114.58 119.43 2pu5 h GLU 166 Ca 0.12 -0.44 -0.09 0.00 -1.18 0.00 0.00 59.36 57.77 2pu5 h GLU 166 Cb 0.33 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2pu5 h GLU 166 CO 0.01 1.06 -0.31 1.15 -1.18 0.00 0.00 179.01 179.74 2pu5 h THR 167 N 0.32 1.27 0.47 0.32 2.02 -1.92 -0.23 112.91 115.16 2pu5 h THR 167 Ca -0.01 -1.28 -0.02 0.00 0.77 0.00 0.00 66.41 65.87 2pu5 h THR 167 Cb 1.08 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2pu5 h THR 167 CO 0.10 0.39 -0.23 0.25 0.37 0.00 0.00 175.52 176.40 2pu5 h LEU 168 N 0.23 -0.54 -0.87 2.58 5.85 -1.18 0.76 115.31 122.15 2pu5 h LEU 168 Ca 0.03 -0.03 0.19 0.00 0.84 0.00 0.00 57.88 58.91 2pu5 h LEU 168 Cb 0.67 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.73 2pu5 h LEU 168 CO 0.05 -0.31 0.40 0.50 -0.34 0.00 0.00 178.44 178.74 2pu5 h LYS 169 N -0.74 0.47 0.06 1.25 3.64 -0.76 -0.02 116.57 120.46 2pu5 h LYS 169 Ca -0.07 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2pu5 h LYS 169 Cb 0.54 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2pu5 h LYS 169 CO 0.11 0.31 -0.03 1.96 -2.27 0.00 0.00 179.45 179.53 2pu5 h GLN 170 N 0.48 -0.08 -0.57 1.90 4.20 -0.77 -1.35 115.11 118.93 2pu5 h GLN 170 Ca 0.51 0.01 0.11 0.00 0.06 0.00 0.00 58.65 59.33 2pu5 h GLN 170 Cb 0.88 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.59 2pu5 h GLN 170 CO -0.46 0.07 0.10 1.98 -0.67 0.00 0.00 178.83 179.85 2pu5 h MET 171 N -0.21 0.22 -0.07 1.46 4.05 -0.40 -2.24 114.93 117.74 2pu5 h MET 171 Ca -0.01 -0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.29 2pu5 h MET 171 Cb 0.18 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 2pu5 h MET 171 CO 0.01 0.15 -0.44 -0.07 0.23 0.00 0.00 176.91 176.79 2pu5 h LEU 172 N 0.23 0.17 0.02 3.39 4.07 -0.53 -2.42 115.31 120.24 2pu5 h LEU 172 Ca 0.29 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 58.18 2pu5 h LEU 172 Cb 0.43 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.13 2pu5 h LEU 172 CO -0.40 0.59 -0.01 1.56 -1.08 0.00 0.00 178.44 179.11 2pu5 h GLN 173 N 0.13 -0.03 -0.96 1.13 4.20 -0.94 -2.10 115.11 116.54 2pu5 h GLN 173 Ca 0.01 0.00 0.27 0.00 0.06 0.00 0.00 58.65 58.99 2pu5 h GLN 173 Cb 0.84 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.58 2pu5 h GLN 173 CO 0.06 0.26 0.67 0.28 -0.67 0.00 0.00 178.83 179.44 2pu5 h VAL 174 N -0.32 0.54 0.00 -0.54 2.07 -1.20 0.66 116.25 117.47 2pu5 h VAL 174 Ca -0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2pu5 h VAL 174 Cb 0.30 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2pu5 h VAL 174 CO 0.01 0.02 0.00 -0.26 0.02 0.00 0.00 177.57 177.35 2pu5 h PHE 175 N 0.09 0.00 -3.54 1.57 0.04 -0.88 -3.40 116.94 110.83 2pu5 h PHE 175 Ca 0.47 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 60.57 2pu5 h PHE 175 Cb 1.71 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 39.70 2pu5 h PHE 175 CO -0.00 0.00 -0.69 -0.51 -0.60 0.00 0.00 178.31 176.51 2pu5 s LEU 176 N -5.17 3.25 -0.05 1.54 1.43 0.23 -1.32 118.68 118.59 2pu5 s LEU 176 Ca -0.01 -0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 52.77 2pu5 s LEU 176 Cb 0.09 -1.89 -0.13 0.00 0.03 0.00 0.00 46.19 44.30 2pu5 s LEU 176 CO 0.36 0.27 0.77 0.22 0.23 0.00 0.00 176.35 178.19 2pu5 h TYR 177 N 4.34 -0.31 -2.26 0.29 3.20 -1.83 -3.39 116.97 117.02 2pu5 h TYR 177 Ca -0.48 -0.01 -0.69 0.00 3.14 0.00 0.00 58.73 60.69 2pu5 h TYR 177 Cb 1.17 0.10 -0.17 0.00 1.54 0.00 0.00 36.73 39.37 2pu5 h TYR 177 CO 0.59 0.03 0.95 0.34 -1.64 0.00 0.00 178.16 178.42 2pu5 s ASP 178 N -5.27 6.66 0.62 -2.11 -1.08 -1.26 -4.88 116.67 109.34 2pu5 s ASP 178 Ca -0.11 -2.07 0.28 0.00 -0.52 0.00 0.00 52.55 50.13 2pu5 s ASP 178 Cb 0.01 -2.42 1.51 0.00 -1.46 0.00 0.00 42.92 40.56 2pu5 s ASP 178 CO 0.38 -1.08 1.89 1.56 0.52 0.00 0.00 175.17 178.44 2pu5 h GLN 179 N 8.77 0.00 0.00 4.34 4.20 -1.85 -2.33 115.11 128.25 2pu5 h GLN 179 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2pu5 h GLN 179 Cb 1.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.79 2pu5 h GLN 179 CO 1.15 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 179.97 2pu5 h SER 180 N 0.00 0.00 0.16 1.46 4.64 -1.97 -3.13 113.55 114.71 2pu5 h SER 180 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2pu5 h SER 180 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2pu5 h SER 180 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 2pu5 n LEU 181 N -2.52 0.48 -4.75 5.97 4.77 -0.87 -4.75 117.00 115.32 2pu5 n LEU 181 Ca 0.04 0.69 -0.38 0.00 -0.03 0.00 0.00 56.01 56.33 2pu5 n LEU 181 Cb 0.37 -0.72 0.04 0.00 -2.33 0.00 0.00 43.42 40.78 2pu5 n LEU 181 CO 0.27 -0.78 1.00 -0.51 -1.33 0.00 0.00 177.39 176.04 2pu5 s ILE 182 N -3.40 2.02 0.08 -0.08 1.10 -1.19 -5.02 121.20 114.71 2pu5 s ILE 182 Ca -0.00 0.02 0.09 0.00 -0.51 0.00 0.00 60.65 60.24 2pu5 s ILE 182 Cb 0.06 -3.01 -0.03 0.00 0.15 0.00 0.00 42.46 39.63 2pu5 s ILE 182 CO 0.21 -0.00 -0.23 0.42 -2.11 0.00 0.00 174.94 173.23 2pu5 s THR 183 N -1.29 1.85 0.57 4.00 -4.23 -1.26 -5.03 115.64 110.25 2pu5 s THR 183 Ca 0.72 -1.44 0.25 0.00 -1.18 0.00 0.00 61.69 60.04 2pu5 s THR 183 Cb -0.41 -1.64 0.33 0.00 1.34 0.00 0.00 72.50 72.13 2pu5 s THR 183 CO 0.49 0.12 2.19 -0.33 -0.54 0.00 0.00 174.62 176.54 2pu5 h GLU 184 N 4.41 0.00 -0.02 3.99 4.39 -1.99 -2.62 114.58 122.74 2pu5 h GLU 184 Ca -0.46 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.03 2pu5 h GLU 184 Cb 1.17 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2pu5 h GLU 184 CO 0.41 0.00 -0.87 0.93 -1.16 0.00 0.00 179.01 178.32 2pu5 h GLU 185 N 0.00 0.35 -0.21 2.33 3.07 -1.97 -0.07 114.58 118.07 2pu5 h GLU 185 Ca 0.03 -0.36 -0.05 0.00 -0.50 0.00 0.00 59.36 58.48 2pu5 h GLU 185 Cb 0.13 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 2pu5 h GLU 185 CO -0.00 1.03 -0.06 1.25 -1.40 0.00 0.00 179.01 179.84 2pu5 h LEU 186 N 0.21 0.42 0.52 1.33 5.85 -1.95 0.67 115.31 122.36 2pu5 h LEU 186 Ca -0.06 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 2pu5 h LEU 186 Cb 1.49 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.41 2pu5 h LEU 186 CO 0.15 0.69 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.60 2pu5 h LEU 187 N 0.14 -0.64 -1.26 2.25 3.38 -1.42 -0.29 115.31 117.46 2pu5 h LEU 187 Ca 0.05 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.16 2pu5 h LEU 187 Cb 0.51 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 2pu5 h LEU 187 CO 0.02 -0.44 0.56 1.56 0.09 0.00 0.00 178.44 180.23 2pu5 h GLN 188 N -0.72 0.77 -0.25 1.13 1.08 -1.03 0.16 115.11 116.25 2pu5 h GLN 188 Ca -0.07 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 2pu5 h GLN 188 Cb 0.56 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 2pu5 h GLN 188 CO 0.10 0.51 0.10 0.78 -0.95 0.00 0.00 178.83 179.37 2pu5 h GLY 189 N 0.79 0.41 1.19 3.46 0.00 -0.36 0.77 103.07 109.33 2pu5 h GLY 189 Ca 0.41 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 2pu5 h GLY 189 CO -0.17 0.21 0.31 3.21 0.00 0.00 0.00 176.54 180.10 2pu5 h ARG 190 N 0.25 1.04 -0.27 4.80 2.47 -0.31 -2.34 114.38 120.03 2pu5 h ARG 190 Ca 0.08 -0.16 -0.04 0.00 -1.26 0.00 0.00 59.98 58.60 2pu5 h ARG 190 Cb 0.19 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2pu5 h ARG 190 CO -0.01 0.82 0.00 2.35 0.56 0.00 0.00 179.97 183.70 2pu5 h TRP 191 N 1.02 0.52 -0.69 3.04 -0.00 -0.48 -0.47 115.95 118.89 2pu5 h TRP 191 Ca 0.24 -0.09 0.04 0.00 -0.00 0.00 0.00 58.89 59.08 2pu5 h TRP 191 Cb 0.15 -0.13 -0.05 0.00 -0.00 0.00 0.00 29.16 29.13 2pu5 h TRP 191 CO 0.01 0.62 0.42 0.93 -0.00 0.00 0.00 178.44 180.43 2pu5 h GLU 192 N 0.26 0.78 -0.81 2.65 5.08 -0.86 0.50 114.58 122.19 2pu5 h GLU 192 Ca 0.08 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2pu5 h GLU 192 Cb 0.42 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2pu5 h GLU 192 CO 0.01 0.52 0.36 0.00 -1.00 0.00 0.00 179.01 178.90 2pu5 h ALA 193 N 1.31 1.04 0.20 3.43 0.00 -0.97 0.30 119.26 124.58 2pu5 h ALA 193 Ca 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2pu5 h ALA 193 Cb 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2pu5 h ALA 193 CO -0.13 0.63 -0.09 0.82 0.00 0.00 0.00 179.25 180.48 2pu5 h ILE 194 N 1.15 0.83 -0.46 0.00 2.04 -0.74 -2.83 117.51 117.50 2pu5 h ILE 194 Ca 0.27 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.95 2pu5 h ILE 194 Cb 0.16 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2pu5 h ILE 194 CO -0.03 0.02 -0.03 1.56 0.00 0.00 0.00 178.15 179.67 2pu5 h GLN 195 N -0.31 0.78 0.00 2.37 4.20 -0.60 -2.93 115.11 118.62 2pu5 h GLN 195 Ca -0.03 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.46 2pu5 h GLN 195 Cb 0.24 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2pu5 h GLN 195 CO 0.04 0.81 -0.13 0.54 -0.67 0.00 0.00 178.83 179.43 2pu5 n ARG 196 N -4.20 0.14 -3.19 1.46 1.74 0.10 -4.11 116.66 108.60 2pu5 n ARG 196 Ca 0.02 0.10 -0.22 0.00 -0.77 0.00 0.00 57.85 56.98 2pu5 n ARG 196 Cb 0.32 -1.64 -0.05 0.00 -1.02 0.00 0.00 32.46 30.06 2pu5 n ARG 196 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2pu5 n GLN 197 N -1.88 1.11 0.17 5.56 3.00 -1.07 -4.91 117.38 119.37 2pu5 n GLN 197 Ca 0.06 -3.50 0.05 0.00 -0.01 0.00 0.00 57.00 53.61 2pu5 n GLN 197 Cb 0.39 -1.55 0.51 0.00 0.00 0.00 0.00 30.24 29.59 2pu5 n GLN 197 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2pu5 h PRO 198 N 3.56 0.16 -0.00 -1.09 0.13 -1.68 -2.40 132.00 130.68 2pu5 h PRO 198 Ca 0.10 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2pu5 h PRO 198 Cb 0.87 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 2pu5 h PRO 198 CO 0.53 0.19 0.00 1.05 -0.23 0.00 0.00 178.00 179.54 2pu5 h GLU 199 N 0.16 0.00 -0.72 0.86 9.09 -1.90 -2.89 114.58 119.17 2pu5 h GLU 199 Ca 0.04 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.39 2pu5 h GLU 199 Cb 0.14 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.21 2pu5 h GLU 199 CO 0.00 0.00 0.20 0.45 0.05 0.00 0.00 179.01 179.72 2pu5 h HIS 200 N 0.00 1.18 -0.58 2.06 3.86 -1.73 0.16 115.15 120.10 2pu5 h HIS 200 Ca 0.00 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.04 2pu5 h HIS 200 Cb 0.00 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.11 2pu5 h HIS 200 CO 0.00 0.95 0.21 -0.07 0.86 0.00 0.00 177.93 179.88 2pu5 h LEU 201 N 1.08 0.82 -0.04 2.43 4.07 -1.67 0.41 115.31 122.41 2pu5 h LEU 201 Ca 0.23 -0.18 -0.26 0.00 0.08 0.00 0.00 57.88 57.75 2pu5 h LEU 201 Cb 0.34 -0.21 0.02 0.00 1.08 0.00 0.00 40.66 41.88 2pu5 h LEU 201 CO -0.00 0.79 -1.04 0.50 -1.08 0.00 0.00 178.44 177.61 2pu5 h LYS 202 N 0.81 0.61 -0.13 1.13 1.63 -1.39 -2.34 116.57 116.89 2pu5 h LYS 202 Ca 0.19 -0.67 -0.11 0.00 -0.85 0.00 0.00 60.65 59.21 2pu5 h LYS 202 Cb 0.23 0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 2pu5 h LYS 202 CO -0.01 1.27 -0.42 -0.91 -3.45 0.00 0.00 179.45 175.93 2pu5 h ASN 203 N 0.34 0.30 -0.19 4.20 2.35 -0.61 -1.65 115.58 120.32 2pu5 h ASN 203 Ca -0.12 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2pu5 h ASN 203 Cb 1.69 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.96 2pu5 h ASN 203 CO 0.20 0.69 0.12 0.15 -1.65 0.00 0.00 177.43 176.94 2pu5 h PHE 204 N 0.24 0.22 -0.49 1.19 3.57 -0.03 -0.86 116.94 120.79 2pu5 h PHE 204 Ca 0.02 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 2pu5 h PHE 204 Cb 0.84 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2pu5 h PHE 204 CO 0.02 0.14 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.03 2pu5 h LEU 205 N 0.24 0.94 -0.46 0.59 3.38 -1.14 -0.88 115.31 117.98 2pu5 h LEU 205 Ca 0.07 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2pu5 h LEU 205 Cb -0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2pu5 h LEU 205 CO -0.02 1.07 0.28 0.40 0.09 0.00 0.00 178.44 180.26 2pu5 h ILE 206 N 0.83 1.14 -0.30 1.22 2.04 -1.26 -2.39 117.51 118.79 2pu5 h ILE 206 Ca 0.13 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2pu5 h ILE 206 Cb 0.68 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2pu5 h ILE 206 CO 0.05 0.14 0.20 0.28 0.00 0.00 0.00 178.15 178.82 2pu5 h SER 207 N 0.61 0.34 -0.34 1.72 0.02 -0.60 -2.62 113.55 112.68 2pu5 h SER 207 Ca 0.16 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2pu5 h SER 207 Cb -0.01 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2pu5 h SER 207 CO -0.03 0.25 0.08 0.00 -1.14 0.00 0.00 176.83 175.99 2pu5 h ALA 208 N 1.11 1.35 -0.84 3.77 0.00 -1.10 -1.21 119.26 122.33 2pu5 h ALA 208 Ca 0.11 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2pu5 h ALA 208 Cb -0.04 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 2pu5 h ALA 208 CO -0.02 0.46 0.50 1.96 0.00 0.00 0.00 179.25 182.15 2pu5 h GLN 209 N 0.62 0.85 0.00 0.00 1.08 -1.15 -2.41 115.11 114.10 2pu5 h GLN 209 Ca 0.14 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.22 2pu5 h GLN 209 Cb 0.27 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2pu5 h GLN 209 CO 0.00 0.56 -0.32 0.87 -0.95 0.00 0.00 178.83 178.99 2pu5 h LYS 210 N 0.88 0.00 -0.95 1.46 1.57 -0.99 -3.40 116.57 115.14 2pu5 h LYS 210 Ca 0.39 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.89 2pu5 h LYS 210 Cb 0.28 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.38 2pu5 h LYS 210 CO -0.21 0.32 -0.63 0.00 -0.57 0.00 0.00 179.45 178.36 2pu5 n ALA 211 N -2.25 -0.61 -0.64 3.86 0.00 -0.54 -4.89 120.51 115.44 2pu5 n ALA 211 Ca 0.00 -1.70 -0.31 0.00 0.00 0.00 0.00 53.44 51.44 2pu5 n ALA 211 Cb 0.51 -1.27 0.19 0.00 0.00 0.00 0.00 19.45 18.88 2pu5 n ALA 211 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2pu5 n PRO 212 N 2.31 -1.38 0.28 0.00 -0.02 -0.94 -4.60 135.00 130.65 2pu5 n PRO 212 Ca 0.17 -0.37 0.12 0.00 -2.02 0.00 0.00 63.50 61.40 2pu5 n PRO 212 Cb 0.57 -1.98 0.80 0.00 -0.02 0.00 0.00 33.50 32.87 2pu5 n PRO 212 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2pu5 h LEU 213 N -2.11 0.00 -1.56 2.45 -0.00 -1.99 0.24 115.31 112.34 2pu5 h LEU 213 Ca -0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.31 2pu5 h LEU 213 Cb 1.32 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.97 2pu5 h LEU 213 CO 0.41 0.00 -0.23 0.77 -0.00 0.00 0.00 178.44 179.39 2pu5 h SER 214 N 0.00 0.00 0.95 -0.43 4.64 -1.99 -0.51 113.55 116.21 2pu5 h SER 214 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pu5 h SER 214 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2pu5 h SER 214 CO -0.00 0.23 0.00 0.35 -0.87 0.00 0.00 176.83 176.54 2pu5 n THR 215 N -3.90 0.74 1.40 2.95 -2.24 0.85 -2.66 114.28 111.43 2pu5 n THR 215 Ca -0.02 0.07 0.15 0.00 -2.27 0.00 0.00 64.05 61.98 2pu5 n THR 215 Cb 0.32 -0.96 0.75 0.00 -2.10 0.00 0.00 70.33 68.34 2pu5 n THR 215 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2pu5 n TRP 216 N -2.18 0.00 -2.40 4.78 7.02 -0.20 -4.81 117.44 119.65 2pu5 n TRP 216 Ca 0.03 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.08 2pu5 n TRP 216 Cb 0.29 -0.28 -0.02 0.00 -2.42 0.00 0.00 31.31 28.88 2pu5 n TRP 216 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2pu5 s ASP 217 N -2.56 6.52 -0.21 -0.99 2.15 -1.09 -4.43 116.67 116.06 2pu5 s ASP 217 Ca 0.28 0.99 0.15 0.00 0.43 0.00 0.00 52.55 54.40 2pu5 s ASP 217 Cb 0.20 -2.54 0.53 0.00 -0.30 0.00 0.00 42.92 40.81 2pu5 s ASP 217 CO 0.45 -1.25 1.45 1.33 -0.17 0.00 0.00 175.17 176.98 2pu5 n VAL 218 N 6.63 2.37 -0.27 1.11 0.24 -0.69 -4.68 118.33 123.04 2pu5 n VAL 218 Ca 0.15 -2.05 0.08 0.00 -2.04 0.00 0.00 64.34 60.48 2pu5 n VAL 218 Cb 0.47 -0.28 0.22 0.00 -1.47 0.00 0.00 33.84 32.79 2pu5 n VAL 218 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2pu5 h THR 219 N 1.63 0.59 0.00 3.34 2.02 -1.90 -1.20 112.91 117.38 2pu5 h THR 219 Ca 0.06 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2pu5 h THR 219 Cb 1.53 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2pu5 h THR 219 CO 0.28 0.08 0.00 0.00 0.37 0.00 0.00 175.52 176.25 2pu5 n ALA 220 N -2.53 1.11 0.31 6.16 0.00 -1.26 -2.22 120.51 122.08 2pu5 n ALA 220 Ca 0.17 0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.84 2pu5 n ALA 220 Cb 0.49 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.66 2pu5 n ALA 220 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pu5 n ARG 221 N -2.27 0.53 0.13 0.00 1.74 -0.46 -4.64 116.66 111.70 2pu5 n ARG 221 Ca -0.01 -1.13 0.08 0.00 -0.77 0.00 0.00 57.85 56.01 2pu5 n ARG 221 Cb 0.05 -1.18 0.56 0.00 -1.02 0.00 0.00 32.46 30.88 2pu5 n ARG 221 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2pu5 h LEU 222 N 1.73 0.19 -1.56 0.55 3.38 -1.43 0.31 115.31 118.48 2pu5 h LEU 222 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pu5 h LEU 222 Cb 0.41 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2pu5 h LEU 222 CO 0.00 0.13 0.03 1.23 0.09 0.00 0.00 178.44 179.92 2pu5 h GLY 223 N 0.22 0.00 1.66 0.83 0.00 -1.80 -2.42 103.07 101.57 2pu5 h GLY 223 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 2pu5 h GLY 223 CO -0.02 0.00 -0.72 0.83 0.00 0.00 0.00 176.54 176.64 2pu5 h GLU 224 N 0.00 0.00 -6.10 4.80 5.08 -0.70 -3.46 114.58 114.20 2pu5 h GLU 224 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 2pu5 h GLU 224 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2pu5 h GLU 224 CO 0.00 0.35 1.32 -0.89 -1.00 0.00 0.00 179.01 178.79 2pu5 n ILE 225 N -3.08 0.39 1.00 3.13 5.41 -0.91 -4.86 119.36 120.44 2pu5 n ILE 225 Ca -0.01 -0.26 0.11 0.00 1.00 0.00 0.00 62.75 63.60 2pu5 n ILE 225 Cb 0.72 -2.01 0.04 0.00 -0.71 0.00 0.00 39.64 37.68 2pu5 n ILE 225 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2pu5 n LYS 226 N 7.78 1.71 -2.35 0.38 5.02 -1.26 -4.20 118.16 125.24 2pu5 n LYS 226 Ca 0.31 -1.42 -0.39 0.00 -2.02 0.00 0.00 58.31 54.80 2pu5 n LYS 226 Cb 0.32 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 2pu5 n LYS 226 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pu5 s ALA 227 N -2.26 3.21 0.08 7.82 0.00 -1.26 -4.94 121.76 124.41 2pu5 s ALA 227 Ca 0.23 0.93 -0.31 0.00 0.00 0.00 0.00 51.96 52.81 2pu5 s ALA 227 Cb 0.19 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 2pu5 s ALA 227 CO 0.45 -0.42 1.53 0.21 0.00 0.00 0.00 175.76 177.53 2pu5 s LYS 228 N -2.13 4.24 -0.05 0.00 2.20 -1.26 -4.60 119.74 118.14 2pu5 s LYS 228 Ca 0.54 2.20 0.07 0.00 -0.36 0.00 0.00 55.97 58.42 2pu5 s LYS 228 Cb -0.30 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.56 2pu5 s LYS 228 CO 0.38 -0.62 -0.25 0.99 -0.36 0.00 0.00 175.35 175.49 2pu5 s THR 229 N 2.03 2.05 -0.26 3.43 2.01 0.59 -1.90 115.64 123.59 2pu5 s THR 229 Ca 0.69 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 61.63 2pu5 s THR 229 Cb -0.38 -1.73 0.07 0.00 0.01 0.00 0.00 72.50 70.47 2pu5 s THR 229 CO 0.30 0.57 -0.05 0.12 -0.69 0.00 0.00 174.62 174.88 2pu5 s PHE 230 N -0.27 2.80 -0.09 4.92 5.36 -0.06 -1.48 117.98 129.16 2pu5 s PHE 230 Ca -0.00 -2.10 -0.03 0.00 -0.96 0.00 0.00 56.93 53.84 2pu5 s PHE 230 Cb -0.13 -1.88 -0.03 0.00 -0.34 0.00 0.00 43.02 40.64 2pu5 s PHE 230 CO 0.03 -0.84 0.03 0.42 -1.46 0.00 0.00 175.22 173.40 2pu5 s ILE 231 N 1.25 4.56 0.02 3.12 1.01 0.73 -0.42 121.20 131.47 2pu5 s ILE 231 Ca -0.03 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.50 2pu5 s ILE 231 Cb -0.19 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 2pu5 s ILE 231 CO -0.07 0.61 -0.12 0.42 0.00 0.00 0.00 174.94 175.77 2pu5 s THR 232 N -0.89 0.96 -0.00 2.92 -4.23 -0.16 -0.07 115.64 114.17 2pu5 s THR 232 Ca 0.13 -0.78 -0.02 0.00 -1.18 0.00 0.00 61.69 59.84 2pu5 s THR 232 Cb -0.11 -0.86 -0.00 0.00 1.34 0.00 0.00 72.50 72.86 2pu5 s THR 232 CO 0.03 0.07 0.03 0.86 -0.54 0.00 0.00 174.62 175.07 2pu5 s TRP 233 N -0.64 0.06 0.01 3.99 -0.11 -0.53 -1.72 118.94 119.99 2pu5 s TRP 233 Ca 0.02 -0.11 -0.30 0.00 1.22 0.00 0.00 56.10 56.92 2pu5 s TRP 233 Cb -0.06 -0.05 -0.04 0.00 -1.50 0.00 0.00 33.47 31.81 2pu5 s TRP 233 CO 0.00 -0.10 1.08 0.20 -4.62 0.00 0.00 176.95 173.52 2pu5 s GLY 234 N -0.56 2.62 0.39 5.86 0.00 -1.25 -1.68 107.32 112.68 2pu5 s GLY 234 Ca -0.06 0.65 0.13 0.00 0.00 0.00 0.00 44.72 45.44 2pu5 s GLY 234 CO -0.00 1.88 1.86 -0.09 0.00 0.00 0.00 173.10 176.75 2pu5 h ARG 235 N 6.87 0.53 -0.85 2.90 2.43 -0.71 -1.47 114.38 124.08 2pu5 h ARG 235 Ca -0.40 -0.03 -0.52 0.00 -0.81 0.00 0.00 59.98 58.21 2pu5 h ARG 235 Cb 1.21 -0.12 -0.28 0.00 -0.42 0.00 0.00 29.97 30.36 2pu5 h ARG 235 CO 0.79 0.35 0.41 -0.25 -1.51 0.00 0.00 179.97 179.76 2pu5 n ASP 236 N -4.55 5.21 -4.65 -3.80 9.92 -0.06 -4.91 116.55 113.72 2pu5 n ASP 236 Ca 0.18 -3.73 -0.43 0.00 -0.53 0.00 0.00 54.79 50.28 2pu5 n ASP 236 Cb 0.58 -0.79 -0.02 0.00 -0.64 0.00 0.00 41.12 40.24 2pu5 n ASP 236 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2pu5 s ASP 237 N -2.04 6.89 -0.18 -2.24 -1.08 -0.56 -4.33 116.67 113.12 2pu5 s ASP 237 Ca 0.57 1.33 0.12 0.00 -0.52 0.00 0.00 52.55 54.05 2pu5 s ASP 237 Cb 0.47 -2.54 0.68 0.00 -1.46 0.00 0.00 42.92 40.07 2pu5 s ASP 237 CO 0.03 -0.87 1.54 0.54 0.52 0.00 0.00 175.17 176.93 2pu5 n ARG 238 N 6.84 4.15 -0.00 4.34 1.74 -1.26 -4.47 116.66 128.00 2pu5 n ARG 238 Ca 0.13 -2.62 -0.00 0.00 -0.77 0.00 0.00 57.85 54.59 2pu5 n ARG 238 Cb 0.46 -2.10 -0.00 0.00 -1.02 0.00 0.00 32.46 29.80 2pu5 n ARG 238 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2pu5 n PHE 239 N 0.59 0.00 -4.24 -1.55 7.35 -1.26 -0.83 117.46 117.52 2pu5 n PHE 239 Ca 0.23 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.75 2pu5 n PHE 239 Cb 1.01 -0.01 -0.13 0.00 0.35 0.00 0.00 39.48 40.70 2pu5 n PHE 239 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2pu5 s VAL 240 N -2.01 0.80 0.18 -2.13 -7.23 -1.26 -4.52 120.40 104.24 2pu5 s VAL 240 Ca -0.00 -0.84 -0.26 0.00 -1.81 0.00 0.00 61.98 59.07 2pu5 s VAL 240 Cb 0.00 -0.75 -0.08 0.00 0.56 0.00 0.00 36.38 36.11 2pu5 s VAL 240 CO 0.01 -0.06 0.80 -2.16 -0.31 0.00 0.00 175.10 173.37 2pu5 s PRO 241 N -1.01 4.58 0.46 4.82 0.04 -1.26 -4.73 135.00 137.90 2pu5 s PRO 241 Ca -0.01 1.19 0.20 0.00 0.04 0.00 0.00 61.00 62.41 2pu5 s PRO 241 Cb -0.07 -3.22 1.19 0.00 0.04 0.00 0.00 34.50 32.44 2pu5 s PRO 241 CO 0.01 0.54 1.93 1.25 0.04 0.00 0.00 177.00 180.77 2pu5 h LEU 242 N 4.19 0.25 -1.70 -3.56 5.85 -1.90 -1.03 115.31 117.42 2pu5 h LEU 242 Ca -0.47 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2pu5 h LEU 242 Cb 1.20 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2pu5 h LEU 242 CO 0.66 0.12 -0.03 -2.24 -0.34 0.00 0.00 178.44 176.61 2pu5 h ASP 243 N 0.26 0.00 0.38 1.25 3.04 -2.00 0.43 116.42 119.79 2pu5 h ASP 243 Ca 0.36 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 54.14 2pu5 h ASP 243 Cb 1.01 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.30 2pu5 h ASP 243 CO -0.08 0.03 -0.04 0.45 -2.04 0.00 0.00 179.24 177.56 2pu5 h HIS 244 N 0.00 0.00 0.00 4.15 3.86 -1.57 -1.42 115.15 120.17 2pu5 h HIS 244 Ca -0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 2pu5 h HIS 244 Cb 0.44 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 2pu5 h HIS 244 CO 0.00 0.04 -0.29 0.78 0.86 0.00 0.00 177.93 179.32 2pu5 h GLY 245 N 0.81 0.00 1.08 2.45 0.00 -0.27 -2.52 103.07 104.62 2pu5 h GLY 245 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 2pu5 h GLY 245 CO 0.01 0.00 -0.68 1.41 0.00 0.00 0.00 176.54 177.28 2pu5 h LEU 246 N 0.00 0.85 -0.81 3.11 3.38 -1.47 -2.24 115.31 118.12 2pu5 h LEU 246 Ca -0.00 -0.63 0.20 0.00 0.09 0.00 0.00 57.88 57.54 2pu5 h LEU 246 Cb 0.79 -0.25 -0.13 0.00 0.09 0.00 0.00 40.66 41.17 2pu5 h LEU 246 CO 0.04 1.34 0.18 0.50 0.09 0.00 0.00 178.44 180.58 2pu5 h LYS 247 N 0.41 0.21 -0.07 1.13 3.64 -0.95 0.53 116.57 121.47 2pu5 h LYS 247 Ca -0.04 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.18 2pu5 h LYS 247 Cb 1.31 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.09 2pu5 h LYS 247 CO 0.14 0.14 -0.52 -0.07 -2.27 0.00 0.00 179.45 176.87 2pu5 h LEU 248 N 0.22 0.59 -0.83 5.20 3.38 -1.46 -1.90 115.31 120.51 2pu5 h LEU 248 Ca 0.48 -0.67 0.12 0.00 0.09 0.00 0.00 57.88 57.89 2pu5 h LEU 248 Cb 0.90 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.39 2pu5 h LEU 248 CO -0.60 1.17 0.46 0.25 0.09 0.00 0.00 178.44 179.80 2pu5 h LEU 249 N 0.05 0.61 -0.33 1.67 5.85 -0.67 -0.77 115.31 121.73 2pu5 h LEU 249 Ca -0.04 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 2pu5 h LEU 249 Cb 1.18 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2pu5 h LEU 249 CO 0.11 0.32 -0.64 -0.50 -0.34 0.00 0.00 178.44 177.38 2pu5 h TRP 250 N 0.72 0.00 0.00 1.25 4.06 0.12 -3.38 115.95 118.72 2pu5 h TRP 250 Ca 0.42 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.37 2pu5 h TRP 250 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 2pu5 h TRP 250 CO -0.07 0.64 -1.09 0.09 -3.56 0.00 0.00 178.44 174.45 2pu5 n ASN 251 N -3.41 0.89 -4.78 -3.49 3.02 -0.66 -4.86 115.26 101.96 2pu5 n ASN 251 Ca 0.00 -0.60 -0.36 0.00 -0.03 0.00 0.00 54.58 53.59 2pu5 n ASN 251 Cb 0.73 1.25 -0.08 0.00 -0.61 0.00 0.00 39.78 41.07 2pu5 n ASN 251 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pu5 s ILE 252 N -2.74 5.08 0.12 2.41 1.01 -0.38 -3.19 121.20 123.51 2pu5 s ILE 252 Ca 0.02 0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.48 2pu5 s ILE 252 Cb 0.12 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 2pu5 s ILE 252 CO 0.68 0.58 1.65 -0.78 0.00 0.00 0.00 174.94 177.07 2pu5 h ASP 253 N 5.38 -0.62 -3.26 3.58 3.58 -1.83 -3.33 116.42 119.92 2pu5 h ASP 253 Ca -0.50 0.09 -0.62 0.00 0.42 0.00 0.00 57.03 56.42 2pu5 h ASP 253 Cb 1.21 0.26 -0.41 0.00 1.72 0.00 0.00 39.33 42.11 2pu5 h ASP 253 CO 0.60 -0.27 -0.69 -0.62 -2.88 0.00 0.00 179.24 175.38 2pu5 s ASP 254 N -4.95 3.89 0.28 2.28 2.15 -1.26 -5.07 116.67 113.99 2pu5 s ASP 254 Ca -0.15 -3.31 0.08 0.00 0.43 0.00 0.00 52.55 49.60 2pu5 s ASP 254 Cb 0.09 -1.29 -0.06 0.00 -0.30 0.00 0.00 42.92 41.37 2pu5 s ASP 254 CO 0.66 -0.16 -0.10 0.00 -0.17 0.00 0.00 175.17 175.40 2pu5 s ALA 255 N -0.61 2.47 0.07 3.66 0.00 -1.25 -0.30 121.76 125.80 2pu5 s ALA 255 Ca 0.23 -1.90 -0.09 0.00 0.00 0.00 0.00 51.96 50.21 2pu5 s ALA 255 Cb -0.11 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 2pu5 s ALA 255 CO -0.11 0.03 0.18 -0.98 0.00 0.00 0.00 175.76 174.88 2pu5 s ARG 256 N -3.66 0.78 -0.02 0.00 3.03 -0.55 -4.94 118.95 113.58 2pu5 s ARG 256 Ca 0.29 -0.85 0.04 0.00 2.03 0.00 0.00 55.73 57.24 2pu5 s ARG 256 Cb 0.02 0.32 -0.01 0.00 -1.03 0.00 0.00 34.95 34.24 2pu5 s ARG 256 CO 0.12 -0.23 -0.15 -1.17 -1.13 0.00 0.00 175.30 172.74 2pu5 s LEU 257 N -2.58 1.96 -0.09 -1.89 2.96 -1.26 -0.19 118.68 117.59 2pu5 s LEU 257 Ca 0.01 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2pu5 s LEU 257 Cb 0.03 -0.80 0.02 0.00 0.50 0.00 0.00 46.19 45.94 2pu5 s LEU 257 CO -0.08 0.16 -0.07 -2.28 -1.32 0.00 0.00 176.35 172.75 2pu5 s HIS 258 N -0.17 1.28 -0.14 5.38 5.65 0.90 -4.96 115.29 123.23 2pu5 s HIS 258 Ca 0.02 -0.56 -0.02 0.00 0.25 0.00 0.00 55.06 54.75 2pu5 s HIS 258 Cb -0.08 -1.07 -0.02 0.00 -1.18 0.00 0.00 32.58 30.23 2pu5 s HIS 258 CO 0.00 -0.40 -0.07 0.08 -0.65 0.00 0.00 174.74 173.70 2pu5 s VAL 259 N 1.43 3.57 -0.12 0.89 1.01 -1.26 -1.46 120.40 124.45 2pu5 s VAL 259 Ca -0.01 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 2pu5 s VAL 259 Cb -0.13 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2pu5 s VAL 259 CO -0.04 0.51 0.09 -0.36 0.00 0.00 0.00 175.10 175.30 2pu5 s PHE 260 N 0.26 3.42 0.35 5.22 0.40 -0.68 -4.93 117.98 122.03 2pu5 s PHE 260 Ca -0.05 0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 56.48 2pu5 s PHE 260 Cb -0.15 -1.93 -0.09 0.00 0.51 0.00 0.00 43.02 41.37 2pu5 s PHE 260 CO 0.04 0.57 0.78 0.45 0.70 0.00 0.00 175.22 177.76 2pu5 s SER 261 N -0.74 6.79 -1.11 1.36 0.15 -1.26 -0.50 113.70 118.39 2pu5 s SER 261 Ca 0.13 1.36 -0.11 0.00 0.70 0.00 0.00 55.95 58.03 2pu5 s SER 261 Cb -0.12 -2.41 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 2pu5 s SER 261 CO 0.03 -0.26 0.86 0.29 1.20 0.00 0.00 173.24 175.36 2pu5 n LYS 262 N -0.50 -2.33 -3.61 5.44 5.02 -1.26 -4.90 118.16 116.02 2pu5 n LYS 262 Ca 0.04 0.69 -0.06 0.00 -2.02 0.00 0.00 58.31 56.96 2pu5 n LYS 262 Cb 0.53 -5.15 -0.08 0.00 -0.02 0.00 0.00 35.03 30.31 2pu5 n LYS 262 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pu5 n GLY 264 N 5.40 -1.92 0.29 0.00 0.00 -1.26 -0.88 105.19 106.83 2pu5 n GLY 264 Ca -0.08 -1.35 -0.05 0.00 0.00 0.00 0.00 46.02 44.54 2pu5 n GLY 264 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2pu5 h HIS 265 N -0.39 0.96 -0.87 1.61 2.76 -1.41 -3.34 115.15 114.48 2pu5 h HIS 265 Ca 0.00 0.00 -0.71 0.00 -2.20 0.00 0.00 60.37 57.47 2pu5 h HIS 265 Cb 0.00 -0.32 -0.09 0.00 1.55 0.00 0.00 27.41 28.55 2pu5 h HIS 265 CO 0.00 0.64 2.33 0.91 -1.30 0.00 0.00 177.93 180.51 2pu5 n TRP 266 N -4.53 4.17 0.13 5.26 8.01 -1.25 -4.55 117.44 124.68 2pu5 n TRP 266 Ca 0.07 -2.96 0.03 0.00 -1.31 0.00 0.00 57.50 53.33 2pu5 n TRP 266 Cb 0.05 -2.46 0.41 0.00 -2.01 0.00 0.00 31.31 27.29 2pu5 n TRP 266 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2pu5 h ALA 267 N 6.81 1.55 0.00 6.99 0.00 -1.95 0.37 119.26 133.03 2pu5 h ALA 267 Ca 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2pu5 h ALA 267 Cb 0.77 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2pu5 h ALA 267 CO 1.58 0.32 -0.04 -0.56 0.00 0.00 0.00 179.25 180.54 2pu5 h GLN 268 N 0.22 0.00 0.00 0.00 -0.00 -1.86 -0.90 115.11 112.57 2pu5 h GLN 268 Ca 0.05 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 58.36 2pu5 h GLN 268 Cb 0.33 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.75 2pu5 h GLN 268 CO 0.02 0.04 -2.23 1.87 -0.00 0.00 0.00 178.83 178.53 2pu5 n TRP 269 N -3.16 0.00 0.09 0.06 -0.00 -0.85 -3.49 117.44 110.09 2pu5 n TRP 269 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.39 2pu5 n TRP 269 Cb 0.33 -0.82 -0.11 0.00 -0.00 0.00 0.00 31.31 30.72 2pu5 n TRP 269 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 2pu5 h GLU 270 N -0.28 0.17 -1.86 5.87 4.81 -0.36 -3.27 114.58 119.65 2pu5 h GLU 270 Ca -0.51 -0.26 -0.59 0.00 -0.13 0.00 0.00 59.36 57.87 2pu5 h GLU 270 Cb 1.66 0.09 -0.42 0.00 0.63 0.00 0.00 28.75 30.71 2pu5 h GLU 270 CO -0.17 1.09 -0.70 0.72 -0.73 0.00 0.00 179.01 179.23 2pu5 n HIS 271 N -3.50 3.68 -0.19 0.92 8.25 -0.34 -4.92 115.22 119.11 2pu5 n HIS 271 Ca -0.05 -3.51 -0.02 0.00 -0.26 0.00 0.00 57.72 53.88 2pu5 n HIS 271 Cb 0.95 -0.27 0.08 0.00 1.12 0.00 0.00 29.99 31.87 2pu5 n HIS 271 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pu5 h ALA 272 N 2.76 0.75 -0.31 -1.41 0.00 -1.59 -0.84 119.26 118.64 2pu5 h ALA 272 Ca 0.22 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 2pu5 h ALA 272 Cb 0.73 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2pu5 h ALA 272 CO 0.83 -0.08 -0.48 -0.44 0.00 0.00 0.00 179.25 179.08 2pu5 h ASP 273 N 0.53 0.95 0.12 0.00 3.32 -1.89 1.01 116.42 120.47 2pu5 h ASP 273 Ca 0.27 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 2pu5 h ASP 273 Cb 0.21 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2pu5 h ASP 273 CO -0.20 1.28 -0.06 -0.33 -1.72 0.00 0.00 179.24 178.21 2pu5 h GLU 274 N 0.65 -0.16 -0.50 3.56 5.08 -1.88 -2.44 114.58 118.88 2pu5 h GLU 274 Ca 0.03 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 2pu5 h GLU 274 Cb 1.09 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.27 2pu5 h GLU 274 CO 0.11 0.19 -0.29 0.35 -1.00 0.00 0.00 179.01 178.37 2pu5 h PHE 275 N -0.53 -0.78 -0.18 4.33 3.57 -1.01 0.21 116.94 122.54 2pu5 h PHE 275 Ca -0.02 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.57 2pu5 h PHE 275 Cb 0.42 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2pu5 h PHE 275 CO 0.04 -0.36 0.04 -0.91 -2.23 0.00 0.00 178.31 174.89 2pu5 h ASN 276 N -0.17 0.02 -0.71 0.41 2.35 0.11 0.43 115.58 118.01 2pu5 h ASN 276 Ca 0.22 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.95 2pu5 h ASN 276 Cb 0.52 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 2pu5 h ASN 276 CO -0.60 0.04 0.29 -0.09 -1.65 0.00 0.00 177.43 175.41 2pu5 h ARG 277 N 0.12 1.06 -0.16 0.81 2.43 -1.06 0.86 114.38 118.44 2pu5 h ARG 277 Ca 0.08 -0.19 -0.21 0.00 -0.81 0.00 0.00 59.98 58.85 2pu5 h ARG 277 Cb 0.07 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2pu5 h ARG 277 CO -0.10 0.87 -0.74 -0.07 -1.51 0.00 0.00 179.97 178.42 2pu5 h LEU 278 N 1.01 0.92 -0.62 3.80 3.38 -0.22 -2.45 115.31 121.13 2pu5 h LEU 278 Ca 0.24 -0.62 -0.15 0.00 0.09 0.00 0.00 57.88 57.44 2pu5 h LEU 278 Cb 0.21 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2pu5 h LEU 278 CO -0.02 1.39 -0.69 0.58 0.09 0.00 0.00 178.44 179.80 2pu5 h VAL 279 N 0.50 1.48 -0.31 1.22 2.07 -0.82 -2.17 116.25 118.23 2pu5 h VAL 279 Ca -0.05 -2.33 -0.08 0.00 0.82 0.00 0.00 66.70 65.07 2pu5 h VAL 279 Cb 1.37 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 2pu5 h VAL 279 CO 0.15 0.67 -0.11 0.40 0.02 0.00 0.00 177.57 178.70 2pu5 h ILE 280 N 0.02 1.29 -0.83 4.57 2.04 -0.78 -1.32 117.51 122.49 2pu5 h ILE 280 Ca -0.01 -1.18 0.02 0.00 1.00 0.00 0.00 64.86 64.69 2pu5 h ILE 280 Cb 1.21 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 38.66 2pu5 h ILE 280 CO 0.09 0.38 0.54 -0.78 0.00 0.00 0.00 178.15 178.38 2pu5 h ASP 281 N 0.38 0.91 -0.37 1.72 -0.00 -1.43 -0.25 116.42 117.38 2pu5 h ASP 281 Ca 0.07 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.03 57.08 2pu5 h ASP 281 Cb 0.62 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 39.71 2pu5 h ASP 281 CO 0.04 0.64 0.20 0.15 -0.00 0.00 0.00 179.24 180.27 2pu5 h PHE 282 N 1.07 0.51 -0.49 0.28 3.04 -1.24 -0.84 116.94 119.27 2pu5 h PHE 282 Ca 0.32 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.26 2pu5 h PHE 282 Cb -0.05 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.27 2pu5 h PHE 282 CO -0.02 0.41 0.32 -0.07 -2.02 0.00 0.00 178.31 176.93 2pu5 h LEU 283 N 0.47 0.57 -0.37 0.59 3.38 -0.51 0.13 115.31 119.57 2pu5 h LEU 283 Ca 0.13 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2pu5 h LEU 283 Cb 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2pu5 h LEU 283 CO -0.02 0.42 -0.09 0.03 0.09 0.00 0.00 178.44 178.87 2pu5 h ARG 284 N 0.67 0.72 0.00 1.13 3.08 -0.78 -3.40 114.38 115.80 2pu5 h ARG 284 Ca 0.18 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2pu5 h ARG 284 Cb -0.07 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2pu5 h ARG 284 CO -0.04 0.87 -0.64 0.72 -1.07 0.00 0.00 179.97 179.81 2pu5 n HIS 285 N -4.38 0.00 0.70 3.04 8.25 -0.35 -5.10 115.22 117.39 2pu5 n HIS 285 Ca -0.02 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.50 2pu5 n HIS 285 Cb 0.35 0.00 0.33 0.00 1.12 0.00 0.00 29.99 31.79 2pu5 n HIS 285 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98