#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h68 s LYS 32 N 0.00 1.04 0.83 1.45 1.02 -1.26 -5.09 119.74 117.73 2h68 s LYS 32 Ca 0.00 -1.23 -0.12 0.00 0.02 0.00 0.00 55.97 54.64 2h68 s LYS 32 Cb 0.00 -0.97 0.09 0.00 -0.52 0.00 0.00 37.83 36.42 2h68 s LYS 32 CO 0.00 0.19 1.10 -1.25 -0.92 0.00 0.00 175.35 174.47 2h68 s PRO 33 N -2.58 1.83 -0.36 -1.68 0.04 -1.26 -4.89 135.00 126.09 2h68 s PRO 33 Ca 0.09 0.62 0.13 0.00 0.04 0.00 0.00 61.00 61.87 2h68 s PRO 33 Cb -0.06 -1.89 0.45 0.00 0.04 0.00 0.00 34.50 33.04 2h68 s PRO 33 CO 0.03 -1.79 1.03 0.27 0.04 0.00 0.00 177.00 176.57 2h68 n ASN 34 N -3.55 2.78 -4.64 6.66 6.94 -1.26 -4.88 115.26 117.31 2h68 n ASN 34 Ca 0.07 -3.09 -0.53 0.00 -0.02 0.00 0.00 54.58 51.01 2h68 n ASN 34 Cb 0.57 -0.50 -0.06 0.00 -2.36 0.00 0.00 39.78 37.43 2h68 n ASN 34 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2h68 n TYR 35 N -0.26 1.78 -4.40 -2.53 4.01 -1.26 -4.56 117.16 109.93 2h68 n TYR 35 Ca 0.21 0.56 -0.21 0.00 -0.16 0.00 0.00 57.90 58.29 2h68 n TYR 35 Cb 0.76 -2.40 -0.13 0.00 -0.31 0.00 0.00 39.34 37.26 2h68 n TYR 35 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2h68 s ALA 36 N 1.73 1.34 0.19 -0.72 0.00 -0.34 -4.87 121.76 119.09 2h68 s ALA 36 Ca 0.89 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 51.62 2h68 s ALA 36 Cb -0.97 -0.22 -0.11 0.00 0.00 0.00 0.00 23.12 21.83 2h68 s ALA 36 CO 0.53 0.27 1.59 -1.17 0.00 0.00 0.00 175.76 176.98 2h68 s LEU 37 N -1.23 4.37 -0.09 0.00 2.96 -1.26 -1.39 118.68 122.03 2h68 s LEU 37 Ca 0.03 2.70 0.01 0.00 -0.22 0.00 0.00 54.13 56.65 2h68 s LEU 37 Cb -0.08 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.95 2h68 s LEU 37 CO 0.02 -0.85 -0.08 0.29 -1.32 0.00 0.00 176.35 174.40 2h68 n LYS 38 N 3.74 0.31 -3.79 1.98 4.76 0.41 -4.91 118.16 120.65 2h68 n LYS 38 Ca 0.13 0.05 -0.13 0.00 -2.87 0.00 0.00 58.31 55.50 2h68 n LYS 38 Cb 0.38 -1.18 -0.09 0.00 -1.84 0.00 0.00 35.03 32.29 2h68 n LYS 38 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2h68 s PHE 39 N -2.18 -0.13 -0.16 2.13 0.08 -1.10 -4.99 117.98 111.63 2h68 s PHE 39 Ca -0.12 0.19 0.01 0.00 0.12 0.00 0.00 56.93 57.13 2h68 s PHE 39 Cb 0.03 0.06 0.01 0.00 -0.57 0.00 0.00 43.02 42.55 2h68 s PHE 39 CO 0.21 -0.34 -0.20 0.99 -0.10 0.00 0.00 175.22 175.78 2h68 s THR 40 N -1.24 2.15 -0.37 0.64 2.01 -1.26 -1.25 115.64 116.32 2h68 s THR 40 Ca -0.13 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 60.83 2h68 s THR 40 Cb -0.06 -1.89 0.02 0.00 0.01 0.00 0.00 72.50 70.59 2h68 s THR 40 CO 0.03 0.54 0.22 -0.76 -0.69 0.00 0.00 174.62 173.96 2h68 s LEU 41 N 1.06 4.73 0.09 4.42 1.43 0.14 -4.97 118.68 125.58 2h68 s LEU 41 Ca -0.01 -0.94 0.04 0.00 -1.03 0.00 0.00 54.13 52.19 2h68 s LEU 41 Cb -0.14 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 2h68 s LEU 41 CO -0.07 -0.38 0.04 0.00 0.23 0.00 0.00 176.35 176.17 2h68 s ALA 42 N 1.58 3.43 0.00 4.21 0.00 -1.26 -2.02 121.76 127.70 2h68 s ALA 42 Ca 0.03 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2h68 s ALA 42 Cb -0.19 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.62 2h68 s ALA 42 CO 0.07 0.72 0.00 0.41 0.00 0.00 0.00 175.76 176.96 2h68 n GLY 43 N 0.48 1.57 3.76 0.00 0.00 -1.26 -5.04 105.19 104.69 2h68 n GLY 43 Ca -0.10 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 2h68 n GLY 43 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2h68 s HIS 44 N 0.00 2.59 -1.45 1.61 3.76 -1.26 -4.94 115.29 115.59 2h68 s HIS 44 Ca 0.00 1.46 0.14 0.00 -0.15 0.00 0.00 55.06 56.51 2h68 s HIS 44 Cb 0.00 -3.59 0.03 0.00 1.11 0.00 0.00 32.58 30.14 2h68 s HIS 44 CO 0.00 -2.19 0.83 0.25 -0.85 0.00 0.00 174.74 172.78 2h68 n THR 45 N -0.75 0.00 -4.15 1.30 -2.24 -1.26 -4.93 114.28 102.25 2h68 n THR 45 Ca 0.09 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 2h68 n THR 45 Cb 0.46 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.87 2h68 n THR 45 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2h68 n LYS 46 N 0.14 0.43 -1.56 -0.78 5.02 -1.26 -4.95 118.16 115.19 2h68 n LYS 46 Ca 0.07 -1.34 -0.45 0.00 -2.02 0.00 0.00 58.31 54.57 2h68 n LYS 46 Cb 0.32 0.94 -0.02 0.00 -0.02 0.00 0.00 35.03 36.25 2h68 n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2h68 n ALA 47 N -2.15 -0.58 -1.90 7.82 0.00 -1.26 -4.72 120.51 117.71 2h68 n ALA 47 Ca -0.05 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.43 2h68 n ALA 47 Cb 0.24 -1.96 -0.07 0.00 0.00 0.00 0.00 19.45 17.66 2h68 n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2h68 s VAL 48 N -1.07 4.42 -0.04 0.00 1.01 -0.90 -1.60 120.40 122.23 2h68 s VAL 48 Ca 0.59 1.44 0.04 0.00 0.00 0.00 0.00 61.98 64.06 2h68 s VAL 48 Cb -0.72 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 2h68 s VAL 48 CO 0.59 -0.13 0.02 -1.54 0.00 0.00 0.00 175.10 174.04 2h68 n SER 49 N -0.17 3.97 -3.57 3.32 3.41 0.09 -4.57 113.62 116.10 2h68 n SER 49 Ca 0.04 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.49 2h68 n SER 49 Cb 0.53 0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 65.04 2h68 n SER 49 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2h68 s SER 50 N -3.46 -0.65 -0.00 4.04 1.04 -1.21 -4.70 113.70 108.75 2h68 s SER 50 Ca -0.02 0.89 0.04 0.00 0.48 0.00 0.00 55.95 57.34 2h68 s SER 50 Cb 0.01 0.80 -0.01 0.00 0.10 0.00 0.00 66.02 66.92 2h68 s SER 50 CO 0.17 -0.49 -0.11 0.68 0.98 0.00 0.00 173.24 174.47 2h68 s VAL 51 N -0.72 0.90 -0.07 5.02 -7.23 -1.26 -1.28 120.40 115.76 2h68 s VAL 51 Ca -0.08 -0.56 -0.04 0.00 -1.81 0.00 0.00 61.98 59.49 2h68 s VAL 51 Cb -0.02 -0.77 0.03 0.00 0.56 0.00 0.00 36.38 36.19 2h68 s VAL 51 CO 0.07 0.20 0.17 -0.54 -0.31 0.00 0.00 175.10 174.69 2h68 s LYS 52 N -0.41 0.14 0.33 4.82 -0.14 0.21 -4.54 119.74 120.15 2h68 s LYS 52 Ca 0.04 0.35 -0.23 0.00 -1.36 0.00 0.00 55.97 54.77 2h68 s LYS 52 Cb -0.05 -0.08 -0.10 0.00 -1.68 0.00 0.00 37.83 35.92 2h68 s LYS 52 CO -0.00 -0.12 0.89 -0.06 -0.76 0.00 0.00 175.35 175.30 2h68 s PHE 53 N 0.84 3.57 0.56 3.18 0.08 -1.26 -0.79 117.98 124.15 2h68 s PHE 53 Ca -0.06 1.62 -0.20 0.00 0.12 0.00 0.00 56.93 58.41 2h68 s PHE 53 Cb -0.08 -2.82 -0.05 0.00 -0.57 0.00 0.00 43.02 39.51 2h68 s PHE 53 CO -0.04 0.15 1.20 -1.54 -0.10 0.00 0.00 175.22 174.89 2h68 s SER 54 N -1.81 5.43 0.59 1.36 1.04 0.10 -4.90 113.70 115.51 2h68 s SER 54 Ca 0.52 2.38 0.28 0.00 0.48 0.00 0.00 55.95 59.62 2h68 s SER 54 Cb -0.15 -2.60 1.73 0.00 0.10 0.00 0.00 66.02 65.09 2h68 s SER 54 CO 0.20 -1.43 2.19 -0.65 0.98 0.00 0.00 173.24 174.54 2h68 h PRO 55 N 1.18 0.00 -0.01 4.02 0.11 -1.88 -0.44 132.00 134.98 2h68 h PRO 55 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2h68 h PRO 55 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2h68 h PRO 55 CO 0.56 0.00 -0.08 0.27 -0.21 0.00 0.00 178.00 178.54 2h68 n ASN 56 N -3.88 1.29 0.00 -2.05 0.23 -1.26 -4.86 115.26 104.73 2h68 n ASN 56 Ca -0.01 -1.27 0.00 0.00 -0.53 0.00 0.00 54.58 52.77 2h68 n ASN 56 Cb 0.17 0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 2h68 n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2h68 n GLY 57 N 1.23 1.22 0.12 4.83 0.00 -0.17 -4.89 105.19 107.52 2h68 n GLY 57 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 2h68 n GLY 57 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2h68 h GLU 58 N 3.20 0.00 -6.09 1.61 4.11 -1.93 -3.43 114.58 112.06 2h68 h GLU 58 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.88 2h68 h GLU 58 Cb 0.00 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.05 2h68 h GLU 58 CO 0.00 0.29 -0.81 -1.58 0.07 0.00 0.00 179.01 176.97 2h68 s TRP 59 N -3.02 1.80 -0.09 2.06 0.52 -1.26 -1.48 118.94 117.46 2h68 s TRP 59 Ca 0.00 -0.44 0.01 0.00 0.02 0.00 0.00 56.10 55.69 2h68 s TRP 59 Cb 0.08 -0.96 -0.02 0.00 -1.15 0.00 0.00 33.47 31.42 2h68 s TRP 59 CO 0.78 0.24 -0.11 -1.17 0.02 0.00 0.00 176.95 176.71 2h68 s LEU 60 N -2.15 2.86 -0.04 2.99 2.96 0.54 -0.73 118.68 125.11 2h68 s LEU 60 Ca 0.09 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 2h68 s LEU 60 Cb -0.09 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 2h68 s LEU 60 CO 0.05 0.26 -0.05 0.00 -1.32 0.00 0.00 176.35 175.29 2h68 s ALA 61 N -0.24 3.05 0.07 5.97 0.00 0.03 -0.99 121.76 129.66 2h68 s ALA 61 Ca 0.02 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.10 2h68 s ALA 61 Cb -0.13 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 2h68 s ALA 61 CO 0.03 0.60 -0.16 -1.54 0.00 0.00 0.00 175.76 174.69 2h68 s SER 62 N -1.10 1.87 0.31 0.00 1.04 -0.27 -0.62 113.70 114.92 2h68 s SER 62 Ca 0.15 -0.58 0.09 0.00 0.48 0.00 0.00 55.95 56.08 2h68 s SER 62 Cb -0.11 -0.09 -0.06 0.00 0.10 0.00 0.00 66.02 65.86 2h68 s SER 62 CO 0.04 -0.01 -0.10 -0.94 0.98 0.00 0.00 173.24 173.21 2h68 s SER 63 N -1.59 3.32 0.09 7.02 1.04 -0.40 -1.22 113.70 121.96 2h68 s SER 63 Ca 0.01 -1.17 -0.16 0.00 0.48 0.00 0.00 55.95 55.11 2h68 s SER 63 Cb -0.09 -0.27 0.03 0.00 0.10 0.00 0.00 66.02 65.79 2h68 s SER 63 CO 0.02 -0.22 0.39 -0.55 0.98 0.00 0.00 173.24 173.86 2h68 s SER 64 N -3.52 -0.23 0.26 7.02 0.15 -1.09 -0.73 113.70 115.56 2h68 s SER 64 Ca 0.31 -0.21 0.17 0.00 0.70 0.00 0.00 55.95 56.92 2h68 s SER 64 Cb 0.02 0.44 0.93 0.00 -1.71 0.00 0.00 66.02 65.70 2h68 s SER 64 CO 0.14 -0.76 1.52 0.00 1.20 0.00 0.00 173.24 175.34 2h68 n ALA 65 N 0.10 1.01 1.67 5.45 0.00 -0.63 -1.54 120.51 126.58 2h68 n ALA 65 Ca -0.17 0.16 0.07 0.00 0.00 0.00 0.00 53.44 53.50 2h68 n ALA 65 Cb 0.62 -1.22 0.40 0.00 0.00 0.00 0.00 19.45 19.24 2h68 n ALA 65 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2h68 n ASP 66 N -2.10 0.00 0.00 0.00 5.68 -1.26 -4.15 116.55 114.71 2h68 n ASP 66 Ca -0.01 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.02 2h68 n ASP 66 Cb 0.05 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 2h68 n ASP 66 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2h68 n LYS 67 N -0.75 -0.09 -4.31 0.11 5.02 -0.89 -4.96 118.16 112.28 2h68 n LYS 67 Ca 0.10 0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 56.13 2h68 n LYS 67 Cb 0.05 -3.05 -0.10 0.00 -0.02 0.00 0.00 35.03 31.90 2h68 n LYS 67 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2h68 s LEU 68 N 0.00 2.81 -0.11 -0.35 1.43 -1.26 -4.36 118.68 116.84 2h68 s LEU 68 Ca 0.00 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.48 2h68 s LEU 68 Cb 0.00 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 2h68 s LEU 68 CO 0.00 0.14 -0.03 -0.63 0.23 0.00 0.00 176.35 176.06 2h68 s ILE 69 N -1.46 4.02 0.09 -0.59 1.01 -0.65 -2.66 121.20 120.95 2h68 s ILE 69 Ca 0.22 -0.34 0.09 0.00 0.00 0.00 0.00 60.65 60.62 2h68 s ILE 69 Cb -0.09 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 2h68 s ILE 69 CO 0.13 0.56 -0.24 -0.54 0.00 0.00 0.00 174.94 174.84 2h68 s LYS 70 N -0.35 1.39 -0.05 2.79 1.02 -0.35 -0.19 119.74 124.00 2h68 s LYS 70 Ca 0.06 -1.16 0.05 0.00 0.02 0.00 0.00 55.97 54.94 2h68 s LYS 70 Cb -0.12 -1.68 -0.02 0.00 -0.52 0.00 0.00 37.83 35.48 2h68 s LYS 70 CO 0.02 0.41 -0.20 0.42 -0.92 0.00 0.00 175.35 175.09 2h68 s ILE 71 N -0.98 2.58 0.01 2.17 -1.09 -0.23 -1.11 121.20 122.53 2h68 s ILE 71 Ca 0.10 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.63 2h68 s ILE 71 Cb -0.10 -1.98 -0.01 0.00 -1.58 0.00 0.00 42.46 38.80 2h68 s ILE 71 CO 0.04 0.58 -0.02 0.26 -1.23 0.00 0.00 174.94 174.56 2h68 s TRP 72 N -0.47 0.21 0.15 3.97 0.52 -0.16 -0.03 118.94 123.13 2h68 s TRP 72 Ca 0.06 -0.14 -0.31 0.00 0.02 0.00 0.00 56.10 55.72 2h68 s TRP 72 Cb -0.12 -0.13 -0.10 0.00 -1.15 0.00 0.00 33.47 31.97 2h68 s TRP 72 CO 0.01 -0.04 1.67 0.20 0.02 0.00 0.00 176.95 178.81 2h68 s GLY 73 N -0.38 1.43 0.46 0.98 0.00 0.33 -0.34 107.32 109.81 2h68 s GLY 73 Ca -0.03 1.41 0.23 0.00 0.00 0.00 0.00 44.72 46.34 2h68 s GLY 73 CO -0.00 2.83 1.93 0.00 0.00 0.00 0.00 173.10 177.87 2h68 h ALA 74 N 7.41 1.20 0.00 3.20 0.00 -1.52 -0.53 119.26 129.01 2h68 h ALA 74 Ca -0.43 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.02 2h68 h ALA 74 Cb 1.21 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 2h68 h ALA 74 CO 0.93 0.27 -2.01 0.66 0.00 0.00 0.00 179.25 179.11 2h68 n TYR 75 N -3.63 0.00 0.48 0.00 4.01 -1.26 -4.48 117.16 112.28 2h68 n TYR 75 Ca -0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.79 2h68 n TYR 75 Cb 0.34 -0.72 0.05 0.00 -0.31 0.00 0.00 39.34 38.70 2h68 n TYR 75 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2h68 n ASP 76 N -2.54 1.94 -1.27 7.72 5.68 -1.25 -5.00 116.55 121.83 2h68 n ASP 76 Ca -0.24 -1.47 -0.14 0.00 -0.50 0.00 0.00 54.79 52.44 2h68 n ASP 76 Cb 0.98 0.02 -0.06 0.00 -1.14 0.00 0.00 41.12 40.91 2h68 n ASP 76 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2h68 n GLY 77 N 0.66 1.33 3.69 6.12 0.00 -0.21 -4.94 105.19 111.83 2h68 n GLY 77 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2h68 n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h68 s LYS 78 N -3.12 4.37 0.17 1.61 2.20 -1.25 -4.64 119.74 119.08 2h68 s LYS 78 Ca 0.00 1.69 -0.33 0.00 -0.36 0.00 0.00 55.97 56.96 2h68 s LYS 78 Cb 0.00 -3.52 -0.14 0.00 -1.51 0.00 0.00 37.83 32.67 2h68 s LYS 78 CO 0.00 -0.40 1.55 0.34 -0.36 0.00 0.00 175.35 176.48 2h68 n PHE 79 N 4.92 2.25 -0.07 4.03 7.35 -1.26 -0.51 117.46 134.16 2h68 n PHE 79 Ca 0.10 0.30 -0.11 0.00 -0.76 0.00 0.00 57.45 56.99 2h68 n PHE 79 Cb 0.46 -2.53 -0.04 0.00 0.35 0.00 0.00 39.48 37.73 2h68 n PHE 79 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2h68 n GLU 80 N 3.16 0.44 -3.58 -4.13 4.07 0.96 -4.89 120.64 116.67 2h68 n GLU 80 Ca 0.16 0.18 -0.09 0.00 -0.06 0.00 0.00 57.16 57.35 2h68 n GLU 80 Cb 0.29 -1.26 -0.02 0.00 -0.06 0.00 0.00 31.44 30.39 2h68 n GLU 80 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 2h68 s LYS 81 N -2.67 1.26 -0.08 5.31 -2.85 -1.12 -4.99 119.74 114.60 2h68 s LYS 81 Ca -0.25 -0.56 -0.01 0.00 -1.00 0.00 0.00 55.97 54.15 2h68 s LYS 81 Cb 0.05 0.51 -0.03 0.00 -2.06 0.00 0.00 37.83 36.30 2h68 s LYS 81 CO 0.36 -0.56 -0.01 0.99 0.10 0.00 0.00 175.35 176.23 2h68 s THR 82 N -3.56 4.21 -0.17 3.79 2.01 -1.26 -1.07 115.64 119.59 2h68 s THR 82 Ca 0.06 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.75 2h68 s THR 82 Cb -0.02 -2.77 0.02 0.00 0.01 0.00 0.00 72.50 69.74 2h68 s THR 82 CO -0.06 0.59 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.64 2h68 s ILE 83 N -0.89 1.94 0.18 1.82 1.01 0.73 -4.99 121.20 120.99 2h68 s ILE 83 Ca 0.14 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.99 2h68 s ILE 83 Cb -0.11 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2h68 s ILE 83 CO 0.03 0.52 -0.14 -0.94 0.00 0.00 0.00 174.94 174.41 2h68 s SER 84 N 1.33 2.33 0.00 3.58 1.04 -1.26 -1.64 113.70 119.08 2h68 s SER 84 Ca 0.05 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.49 2h68 s SER 84 Cb -0.13 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2h68 s SER 84 CO -0.12 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.51 2h68 n GLY 85 N -0.19 1.52 3.74 7.32 0.00 -1.26 -4.90 105.19 111.43 2h68 n GLY 85 Ca -0.10 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 2h68 n GLY 85 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2h68 s HIS 86 N 0.00 2.25 -0.54 1.61 3.76 -1.26 -4.94 115.29 116.18 2h68 s HIS 86 Ca 0.00 1.49 0.23 0.00 -0.15 0.00 0.00 55.06 56.63 2h68 s HIS 86 Cb 0.00 -3.59 0.11 0.00 1.11 0.00 0.00 32.58 30.21 2h68 s HIS 86 CO 0.00 -2.56 1.09 1.63 -0.85 0.00 0.00 174.74 174.06 2h68 n LYS 87 N -1.68 0.35 -4.26 1.40 5.02 -1.26 -4.95 118.16 112.79 2h68 n LYS 87 Ca 0.14 0.03 -0.20 0.00 -2.02 0.00 0.00 58.31 56.27 2h68 n LYS 87 Cb 0.49 -1.65 -0.08 0.00 -0.02 0.00 0.00 35.03 33.76 2h68 n LYS 87 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2h68 n LEU 88 N -2.13 0.00 -4.68 -0.35 4.77 -1.26 -4.98 117.00 108.37 2h68 n LEU 88 Ca 0.02 -3.19 -0.31 0.00 -0.03 0.00 0.00 56.01 52.50 2h68 n LEU 88 Cb 0.46 1.65 0.16 0.00 -2.33 0.00 0.00 43.42 43.36 2h68 n LEU 88 CO 0.39 -0.53 0.69 -0.83 -1.33 0.00 0.00 177.39 175.78 2h68 s GLY 89 N -3.36 1.72 -0.10 -0.72 0.00 -1.26 -4.43 107.32 99.17 2h68 s GLY 89 Ca 0.39 0.60 0.02 0.00 0.00 0.00 0.00 44.72 45.73 2h68 s GLY 89 CO 0.28 1.01 -0.16 -0.42 0.00 0.00 0.00 173.10 173.81 2h68 s ILE 90 N -2.63 2.87 -0.13 0.90 1.01 -0.59 -0.58 121.20 122.05 2h68 s ILE 90 Ca 0.67 -0.75 0.18 0.00 0.00 0.00 0.00 60.65 60.75 2h68 s ILE 90 Cb -0.23 -2.16 -0.23 0.00 0.01 0.00 0.00 42.46 39.85 2h68 s ILE 90 CO 0.57 0.55 0.43 -1.20 0.00 0.00 0.00 174.94 175.29 2h68 n SER 91 N 3.15 0.32 -3.58 3.58 7.64 0.18 -3.78 113.62 121.13 2h68 n SER 91 Ca -0.18 0.14 -0.15 0.00 1.01 0.00 0.00 58.87 59.69 2h68 n SER 91 Cb 0.53 0.89 -0.06 0.00 -1.01 0.00 0.00 64.21 64.55 2h68 n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2h68 s ASP 92 N -5.41 -0.49 0.06 6.43 2.15 -1.22 -4.28 116.67 113.92 2h68 s ASP 92 Ca -0.07 0.36 0.01 0.00 0.43 0.00 0.00 52.55 53.28 2h68 s ASP 92 Cb 0.09 0.49 -0.03 0.00 -0.30 0.00 0.00 42.92 43.16 2h68 s ASP 92 CO 0.84 -0.64 -0.06 0.54 -0.17 0.00 0.00 175.17 175.68 2h68 s VAL 93 N -1.84 0.47 -0.11 1.11 0.11 -1.26 -1.23 120.40 117.65 2h68 s VAL 93 Ca -0.09 -1.55 -0.21 0.00 -2.93 0.00 0.00 61.98 57.21 2h68 s VAL 93 Cb -0.01 -1.18 0.05 0.00 -1.53 0.00 0.00 36.38 33.71 2h68 s VAL 93 CO 0.03 -0.73 0.51 0.00 -3.33 0.00 0.00 175.10 171.59 2h68 s ALA 94 N -2.82 -1.30 0.08 1.54 0.00 -0.08 -4.86 121.76 114.32 2h68 s ALA 94 Ca 0.01 1.15 -0.08 0.00 0.00 0.00 0.00 51.96 53.05 2h68 s ALA 94 Cb -0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 2h68 s ALA 94 CO -0.04 -0.28 0.37 -1.58 0.00 0.00 0.00 175.76 174.22 2h68 s TRP 95 N -0.52 3.55 0.70 0.00 0.52 -1.26 -0.45 118.94 121.48 2h68 s TRP 95 Ca -0.06 0.67 -0.11 0.00 0.02 0.00 0.00 56.10 56.62 2h68 s TRP 95 Cb -0.03 -2.08 0.01 0.00 -1.15 0.00 0.00 33.47 30.22 2h68 s TRP 95 CO 0.04 0.51 1.08 -1.54 0.02 0.00 0.00 176.95 177.07 2h68 s SER 96 N -1.95 5.46 0.54 2.95 1.04 -0.30 -4.62 113.70 116.83 2h68 s SER 96 Ca 0.34 1.10 0.24 0.00 0.48 0.00 0.00 55.95 58.11 2h68 s SER 96 Cb -0.13 -1.91 1.49 0.00 0.10 0.00 0.00 66.02 65.56 2h68 s SER 96 CO 0.20 -1.32 2.15 0.77 0.98 0.00 0.00 173.24 176.01 2h68 h SER 97 N -0.62 0.00 0.25 7.02 4.64 -1.86 -1.49 113.55 121.48 2h68 h SER 97 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2h68 h SER 97 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2h68 h SER 97 CO 0.64 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.76 2h68 n ASP 98 N -4.01 0.00 -1.60 4.97 5.68 -1.26 -4.84 116.55 115.48 2h68 n ASP 98 Ca -0.03 -0.48 -0.21 0.00 -0.50 0.00 0.00 54.79 53.58 2h68 n ASP 98 Cb 0.15 -0.14 -0.09 0.00 -1.14 0.00 0.00 41.12 39.90 2h68 n ASP 98 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2h68 n SER 99 N -1.14 -5.42 0.00 -1.12 7.64 -0.56 -4.79 113.62 108.22 2h68 n SER 99 Ca 0.17 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.55 2h68 n SER 99 Cb 0.15 -4.79 0.00 0.00 -1.01 0.00 0.00 64.21 58.56 2h68 n SER 99 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2h68 n ASN 100 N -1.35 0.17 -4.84 6.43 2.85 -1.26 -4.98 115.26 112.27 2h68 n ASN 100 Ca -0.21 -0.20 -0.34 0.00 -0.11 0.00 0.00 54.58 53.73 2h68 n ASN 100 Cb 0.68 0.43 -0.06 0.00 1.24 0.00 0.00 39.78 42.06 2h68 n ASN 100 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2h68 s LEU 101 N -0.89 4.16 0.06 1.20 1.43 -1.26 -1.20 118.68 122.18 2h68 s LEU 101 Ca 0.00 0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.45 2h68 s LEU 101 Cb 0.00 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 2h68 s LEU 101 CO 0.00 0.30 -0.19 -0.76 0.23 0.00 0.00 176.35 175.92 2h68 s LEU 102 N -1.67 2.20 0.03 1.79 1.43 -0.77 -1.14 118.68 120.55 2h68 s LEU 102 Ca 0.23 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.85 2h68 s LEU 102 Cb -0.12 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 2h68 s LEU 102 CO 0.14 0.10 -0.17 0.54 0.23 0.00 0.00 176.35 177.18 2h68 s VAL 103 N -0.91 2.83 0.09 -1.59 0.11 0.41 -0.05 120.40 121.28 2h68 s VAL 103 Ca 0.06 -1.13 0.06 0.00 -2.93 0.00 0.00 61.98 58.03 2h68 s VAL 103 Cb -0.09 -2.18 -0.03 0.00 -1.53 0.00 0.00 36.38 32.55 2h68 s VAL 103 CO 0.02 0.36 -0.15 -0.94 -3.33 0.00 0.00 175.10 171.07 2h68 s SER 104 N -1.36 1.89 -0.13 3.54 1.04 -0.50 -0.90 113.70 117.28 2h68 s SER 104 Ca 0.14 -0.69 0.03 0.00 0.48 0.00 0.00 55.95 55.92 2h68 s SER 104 Cb -0.11 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 65.95 2h68 s SER 104 CO 0.05 -0.08 -0.22 0.00 0.98 0.00 0.00 173.24 173.97 2h68 s ALA 105 N -1.52 2.24 0.18 5.32 0.00 -0.36 -2.01 121.76 125.60 2h68 s ALA 105 Ca 0.02 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 51.00 2h68 s ALA 105 Cb -0.08 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 2h68 s ALA 105 CO 0.03 0.06 -0.13 0.45 0.00 0.00 0.00 175.76 176.16 2h68 s SER 106 N 0.68 2.31 0.19 0.00 0.15 -0.83 -0.65 113.70 115.54 2h68 s SER 106 Ca -0.10 -0.98 0.18 0.00 0.70 0.00 0.00 55.95 55.74 2h68 s SER 106 Cb -0.16 -0.10 0.82 0.00 -1.71 0.00 0.00 66.02 64.87 2h68 s SER 106 CO 0.01 -0.20 1.55 0.47 1.20 0.00 0.00 173.24 176.27 2h68 n ASP 107 N -0.18 0.41 0.00 5.45 9.92 0.25 -1.46 116.55 130.94 2h68 n ASP 107 Ca -0.10 0.63 0.04 0.00 -0.53 0.00 0.00 54.79 54.84 2h68 n ASP 107 Cb 0.60 -0.71 0.24 0.00 -0.64 0.00 0.00 41.12 40.61 2h68 n ASP 107 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2h68 n ASP 108 N -1.99 0.00 0.00 -2.24 5.68 -1.26 -4.44 116.55 112.29 2h68 n ASP 108 Ca 0.01 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 2h68 n ASP 108 Cb 0.14 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 2h68 n ASP 108 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2h68 n LYS 109 N -0.65 -0.11 -4.33 0.11 5.02 -0.95 -5.02 118.16 112.24 2h68 n LYS 109 Ca 0.06 0.03 -0.24 0.00 -2.02 0.00 0.00 58.31 56.14 2h68 n LYS 109 Cb 0.03 -2.97 -0.08 0.00 -0.02 0.00 0.00 35.03 31.98 2h68 n LYS 109 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2h68 s THR 110 N -2.67 2.79 0.17 -0.18 -4.23 -1.25 -4.11 115.64 106.15 2h68 s THR 110 Ca 0.00 -1.99 0.07 0.00 -1.18 0.00 0.00 61.69 58.59 2h68 s THR 110 Cb 0.00 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 2h68 s THR 110 CO 0.00 -0.25 -0.00 -0.76 -0.54 0.00 0.00 174.62 173.06 2h68 s LEU 111 N -3.69 3.31 -0.02 4.79 1.02 -0.95 -1.97 118.68 121.17 2h68 s LEU 111 Ca 0.34 -0.39 0.06 0.00 0.02 0.00 0.00 54.13 54.16 2h68 s LEU 111 Cb -0.02 -1.97 -0.01 0.00 0.02 0.00 0.00 46.19 44.21 2h68 s LEU 111 CO 0.19 0.10 -0.19 -0.54 0.02 0.00 0.00 176.35 175.93 2h68 s LYS 112 N -2.89 1.59 -0.20 1.70 1.02 -0.85 -0.01 119.74 120.11 2h68 s LYS 112 Ca 0.27 -0.69 -0.09 0.00 0.02 0.00 0.00 55.97 55.48 2h68 s LYS 112 Cb -0.09 -1.52 -0.05 0.00 -0.52 0.00 0.00 37.83 35.64 2h68 s LYS 112 CO 0.18 0.40 0.11 0.42 -0.92 0.00 0.00 175.35 175.55 2h68 s ILE 113 N -0.42 5.22 0.03 2.17 1.01 -0.50 -1.41 121.20 127.31 2h68 s ILE 113 Ca 0.07 0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.92 2h68 s ILE 113 Cb -0.08 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.99 2h68 s ILE 113 CO -0.01 0.44 -0.26 0.26 0.00 0.00 0.00 174.94 175.38 2h68 s TRP 114 N 0.38 2.27 -0.45 3.97 0.52 0.92 -0.51 118.94 126.05 2h68 s TRP 114 Ca 0.06 -0.42 -0.24 0.00 0.02 0.00 0.00 56.10 55.53 2h68 s TRP 114 Cb -0.11 -1.39 0.03 0.00 -1.15 0.00 0.00 33.47 30.84 2h68 s TRP 114 CO -0.01 0.07 0.83 0.34 0.02 0.00 0.00 176.95 178.20 2h68 s ASP 115 N -1.04 6.45 0.25 2.95 -1.08 -0.18 -1.86 116.67 122.17 2h68 s ASP 115 Ca 0.11 -0.00 -0.00 0.00 -0.52 0.00 0.00 52.55 52.13 2h68 s ASP 115 Cb -0.10 -2.41 0.30 0.00 -1.46 0.00 0.00 42.92 39.26 2h68 s ASP 115 CO 0.01 -0.95 1.66 1.62 0.52 0.00 0.00 175.17 178.04 2h68 h VAL 116 N 6.00 1.28 -0.45 1.11 3.04 -1.47 0.56 116.25 126.31 2h68 h VAL 116 Ca -0.24 -1.38 0.08 0.00 -1.01 0.00 0.00 66.70 64.14 2h68 h VAL 116 Cb 1.08 1.39 -0.07 0.00 -2.01 0.00 0.00 31.29 31.69 2h68 h VAL 116 CO 0.98 0.44 0.04 -1.28 -1.01 0.00 0.00 177.57 176.74 2h68 h SER 117 N 0.48 -0.10 0.49 3.17 0.87 -1.93 -3.05 113.55 113.48 2h68 h SER 117 Ca 0.06 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2h68 h SER 117 Cb 0.76 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 2h68 h SER 117 CO 0.06 -0.02 -1.55 -1.54 -0.53 0.00 0.00 176.83 173.26 2h68 n SER 118 N -5.17 0.44 0.00 6.23 3.41 -1.11 -4.98 113.62 112.44 2h68 n SER 118 Ca 0.04 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2h68 n SER 118 Cb 0.23 1.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.30 2h68 n SER 118 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h68 n GLY 119 N 1.26 0.76 3.80 5.00 0.00 0.19 -5.02 105.19 111.19 2h68 n GLY 119 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 2h68 n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h68 s LYS 120 N -0.04 4.31 -0.25 1.61 1.02 -1.17 -4.68 119.74 120.54 2h68 s LYS 120 Ca 0.00 0.87 -0.29 0.00 0.02 0.00 0.00 55.97 56.57 2h68 s LYS 120 Cb 0.00 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 2h68 s LYS 120 CO 0.00 0.58 1.36 0.00 -0.92 0.00 0.00 175.35 176.37 2h68 h LEU 122 N 10.74 0.79 -7.48 0.00 3.38 -1.15 -3.48 115.31 118.11 2h68 h LEU 122 Ca -0.28 -0.90 -0.12 0.00 0.09 0.00 0.00 57.88 56.67 2h68 h LEU 122 Cb 1.11 -0.26 -0.21 0.00 0.09 0.00 0.00 40.66 41.39 2h68 h LEU 122 CO 1.01 1.71 -0.29 -0.54 0.09 0.00 0.00 178.44 180.42 2h68 s LYS 123 N -2.60 0.59 -0.15 1.13 1.02 -1.20 -5.02 119.74 113.52 2h68 s LYS 123 Ca -0.10 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 55.89 2h68 s LYS 123 Cb 0.04 0.27 -0.00 0.00 -0.52 0.00 0.00 37.83 37.62 2h68 s LYS 123 CO 0.93 -0.14 -0.16 0.99 -0.92 0.00 0.00 175.35 176.05 2h68 s THR 124 N -0.90 2.64 -0.45 2.17 2.01 -1.26 -1.41 115.64 118.45 2h68 s THR 124 Ca -0.10 -0.78 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 2h68 s THR 124 Cb -0.04 -2.11 0.04 0.00 0.01 0.00 0.00 72.50 70.39 2h68 s THR 124 CO 0.03 0.52 0.49 -0.76 -0.69 0.00 0.00 174.62 174.21 2h68 s LEU 125 N 0.78 4.94 -0.06 4.42 1.43 0.99 -4.98 118.68 126.19 2h68 s LEU 125 Ca -0.06 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.30 2h68 s LEU 125 Cb -0.15 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 2h68 s LEU 125 CO 0.00 -0.67 -0.12 -0.54 0.23 0.00 0.00 176.35 175.25 2h68 s LYS 126 N 2.25 2.64 0.00 1.70 1.02 -1.26 -2.24 119.74 123.85 2h68 s LYS 126 Ca 0.13 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.46 2h68 s LYS 126 Cb -0.18 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 2h68 s LYS 126 CO 0.13 0.60 0.00 0.41 -0.92 0.00 0.00 175.35 175.57 2h68 n GLY 127 N 2.40 0.98 3.76 -3.33 0.00 -1.26 -4.83 105.19 102.90 2h68 n GLY 127 Ca -0.17 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 2h68 n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2h68 s HIS 128 N 0.00 2.38 -2.43 1.61 3.76 -1.26 -4.93 115.29 114.42 2h68 s HIS 128 Ca 0.00 1.34 0.23 0.00 -0.15 0.00 0.00 55.06 56.48 2h68 s HIS 128 Cb 0.00 -3.82 0.48 0.00 1.11 0.00 0.00 32.58 30.35 2h68 s HIS 128 CO 0.00 -2.83 1.43 -1.13 -0.85 0.00 0.00 174.74 171.36 2h68 n SER 129 N -0.69 3.19 -1.70 1.40 3.41 -1.26 -4.89 113.62 113.08 2h68 n SER 129 Ca 0.08 -1.96 -0.04 0.00 -0.26 0.00 0.00 58.87 56.70 2h68 n SER 129 Cb 0.44 -0.24 0.01 0.00 -0.26 0.00 0.00 64.21 64.16 2h68 n SER 129 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2h68 n ASN 130 N 1.31 -0.81 -4.55 4.04 2.85 -1.26 -4.95 115.26 111.89 2h68 n ASN 130 Ca 0.19 -1.63 -0.48 0.00 -0.11 0.00 0.00 54.58 52.54 2h68 n ASN 130 Cb 0.56 1.37 -0.04 0.00 1.24 0.00 0.00 39.78 42.92 2h68 n ASN 130 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2h68 n TYR 131 N -0.21 0.99 -3.38 1.20 4.01 -1.26 -4.40 117.16 114.11 2h68 n TYR 131 Ca -0.03 0.75 -0.38 0.00 -0.16 0.00 0.00 57.90 58.08 2h68 n TYR 131 Cb 0.23 -2.21 -0.07 0.00 -0.31 0.00 0.00 39.34 36.97 2h68 n TYR 131 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2h68 s VAL 132 N -0.50 5.19 -0.10 -0.72 1.01 -0.54 -0.58 120.40 124.17 2h68 s VAL 132 Ca 0.70 0.72 0.17 0.00 0.00 0.00 0.00 61.98 63.57 2h68 s VAL 132 Cb -0.85 -3.73 -0.26 0.00 0.00 0.00 0.00 36.38 31.54 2h68 s VAL 132 CO 0.55 0.24 0.24 0.49 0.00 0.00 0.00 175.10 176.62 2h68 n PHE 133 N 4.51 0.00 -3.67 5.22 3.72 0.51 -3.42 117.46 124.34 2h68 n PHE 133 Ca -0.08 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.18 2h68 n PHE 133 Cb 0.51 -0.66 -0.07 0.00 -0.94 0.00 0.00 39.48 38.32 2h68 n PHE 133 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h68 s ASN 136 N -2.40 -0.62 0.43 0.00 0.01 -0.56 -4.68 114.94 107.12 2h68 s ASN 136 Ca -0.02 0.78 -0.13 0.00 -0.71 0.00 0.00 52.86 52.78 2h68 s ASN 136 Cb -0.01 0.64 -0.07 0.00 0.41 0.00 0.00 41.25 42.23 2h68 s ASN 136 CO -0.08 -0.50 0.83 -0.36 -1.51 0.00 0.00 177.10 175.49 2h68 s PHE 137 N -0.91 3.46 0.72 2.20 0.08 -1.26 -0.85 117.98 121.41 2h68 s PHE 137 Ca -0.08 1.19 -0.11 0.00 0.12 0.00 0.00 56.93 58.05 2h68 s PHE 137 Cb -0.01 -2.56 0.02 0.00 -0.57 0.00 0.00 43.02 39.90 2h68 s PHE 137 CO 0.07 -0.17 1.08 0.54 -0.10 0.00 0.00 175.22 176.63 2h68 s ASN 138 N -3.07 5.25 0.45 1.36 4.22 -0.65 -4.75 114.94 117.75 2h68 s ASN 138 Ca 0.54 1.38 0.15 0.00 -2.14 0.00 0.00 52.86 52.79 2h68 s ASN 138 Cb -0.10 -2.22 1.08 0.00 1.28 0.00 0.00 41.25 41.29 2h68 s ASN 138 CO 0.30 -1.49 1.98 -0.65 -2.04 0.00 0.00 177.10 175.20 2h68 h PRO 139 N -0.76 0.34 0.00 3.55 0.11 -1.87 -0.67 132.00 132.71 2h68 h PRO 139 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2h68 h PRO 139 Cb 1.23 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2h68 h PRO 139 CO 0.60 0.23 -0.06 1.96 -0.21 0.00 0.00 178.00 180.51 2h68 h GLN 140 N 0.35 0.00 -0.45 1.05 7.50 -1.93 -3.43 115.11 118.20 2h68 h GLN 140 Ca 0.27 0.00 -0.19 0.00 0.50 0.00 0.00 58.65 59.23 2h68 h GLN 140 Cb 0.60 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 28.06 2h68 h GLN 140 CO -0.07 0.06 -0.17 0.43 -1.50 0.00 0.00 178.83 177.58 2h68 n SER 141 N -3.20 -4.33 -0.33 1.46 7.64 -0.26 -4.91 113.62 109.69 2h68 n SER 141 Ca 0.00 0.23 0.09 0.00 1.01 0.00 0.00 58.87 60.20 2h68 n SER 141 Cb 0.32 -2.65 -0.03 0.00 -1.01 0.00 0.00 64.21 60.84 2h68 n SER 141 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2h68 n ASN 142 N 0.16 1.59 -4.21 6.43 0.23 -1.26 -4.87 115.26 113.33 2h68 n ASN 142 Ca -0.09 -1.30 -0.18 0.00 -0.53 0.00 0.00 54.58 52.48 2h68 n ASN 142 Cb 0.34 0.59 -0.11 0.00 -2.08 0.00 0.00 39.78 38.52 2h68 n ASN 142 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2h68 s LEU 143 N -2.38 2.35 0.00 -4.53 1.43 -1.26 -1.86 118.68 112.43 2h68 s LEU 143 Ca 0.14 -0.73 0.07 0.00 -1.03 0.00 0.00 54.13 52.57 2h68 s LEU 143 Cb 0.15 -0.55 -0.02 0.00 0.03 0.00 0.00 46.19 45.80 2h68 s LEU 143 CO 0.54 -0.11 -0.21 -0.63 0.23 0.00 0.00 176.35 176.16 2h68 s ILE 144 N -1.77 1.70 -0.02 -0.59 1.01 -0.52 -1.64 121.20 119.36 2h68 s ILE 144 Ca 0.04 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.72 2h68 s ILE 144 Cb -0.07 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 2h68 s ILE 144 CO 0.03 0.39 -0.13 0.54 0.00 0.00 0.00 174.94 175.77 2h68 s VAL 145 N -0.60 3.13 0.07 2.92 0.11 -0.03 -0.52 120.40 125.48 2h68 s VAL 145 Ca 0.08 -0.83 0.02 0.00 -2.93 0.00 0.00 61.98 58.33 2h68 s VAL 145 Cb -0.08 -2.27 -0.03 0.00 -1.53 0.00 0.00 36.38 32.46 2h68 s VAL 145 CO 0.00 0.50 -0.08 -0.94 -3.33 0.00 0.00 175.10 171.25 2h68 s SER 146 N -1.02 1.07 0.07 3.54 1.04 -0.42 -1.50 113.70 116.47 2h68 s SER 146 Ca 0.13 -0.77 0.04 0.00 0.48 0.00 0.00 55.95 55.84 2h68 s SER 146 Cb -0.11 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 2h68 s SER 146 CO 0.03 -0.31 -0.11 -0.83 0.98 0.00 0.00 173.24 172.99 2h68 s GLY 147 N -2.27 0.75 0.05 7.32 0.00 -0.61 -1.54 107.32 111.01 2h68 s GLY 147 Ca 0.01 -0.96 -0.03 0.00 0.00 0.00 0.00 44.72 43.74 2h68 s GLY 147 CO -0.02 -1.00 0.03 -0.45 0.00 0.00 0.00 173.10 171.66 2h68 s SER 148 N -1.81 0.32 0.60 1.64 0.15 -1.01 -0.36 113.70 113.24 2h68 s SER 148 Ca -0.03 -0.75 0.30 0.00 0.70 0.00 0.00 55.95 56.16 2h68 s SER 148 Cb -0.09 0.21 1.63 0.00 -1.71 0.00 0.00 66.02 66.06 2h68 s SER 148 CO 0.01 -0.54 2.02 0.15 1.20 0.00 0.00 173.24 176.08 2h68 h PHE 149 N 3.49 0.00 0.00 3.44 3.57 -1.11 -1.39 116.94 124.93 2h68 h PHE 149 Ca -0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.17 2h68 h PHE 149 Cb 1.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.91 2h68 h PHE 149 CO 0.54 0.00 0.00 -0.40 -2.23 0.00 0.00 178.31 176.22 2h68 n ASP 150 N -3.60 0.00 0.00 0.41 5.68 -1.26 -4.20 116.55 113.58 2h68 n ASP 150 Ca 0.03 -0.64 0.00 0.00 -0.50 0.00 0.00 54.79 53.68 2h68 n ASP 150 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 2h68 n ASP 150 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2h68 n GLU 151 N -0.98 0.00 -4.16 0.11 1.02 -0.61 -5.02 120.64 111.00 2h68 n GLU 151 Ca 0.14 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.05 2h68 n GLU 151 Cb 0.06 -2.54 -0.05 0.00 -0.02 0.00 0.00 31.44 28.89 2h68 n GLU 151 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2h68 s SER 152 N -2.32 5.22 -0.10 1.62 1.04 -1.26 -2.14 113.70 115.76 2h68 s SER 152 Ca 0.00 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.10 2h68 s SER 152 Cb 0.00 -1.24 -0.02 0.00 0.10 0.00 0.00 66.02 64.86 2h68 s SER 152 CO 0.00 -0.01 -0.14 -0.69 0.98 0.00 0.00 173.24 173.38 2h68 s VAL 153 N -2.12 2.98 0.07 5.02 1.01 -0.86 -2.40 120.40 124.11 2h68 s VAL 153 Ca 0.32 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.68 2h68 s VAL 153 Cb -0.08 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2h68 s VAL 153 CO 0.23 0.55 -0.26 -0.13 0.00 0.00 0.00 175.10 175.49 2h68 s ARG 154 N -0.09 1.66 -0.14 2.72 0.52 -0.59 0.24 118.95 123.28 2h68 s ARG 154 Ca -0.02 -1.16 0.01 0.00 -0.52 0.00 0.00 55.73 54.03 2h68 s ARG 154 Cb -0.14 -1.92 -0.00 0.00 0.52 0.00 0.00 34.95 33.41 2h68 s ARG 154 CO 0.04 0.48 -0.16 0.42 0.02 0.00 0.00 175.30 176.10 2h68 s ILE 155 N -0.88 2.66 0.03 1.52 1.01 -0.54 -1.30 121.20 123.70 2h68 s ILE 155 Ca 0.12 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 60.07 2h68 s ILE 155 Cb -0.10 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 2h68 s ILE 155 CO 0.03 0.53 -0.25 0.26 0.00 0.00 0.00 174.94 175.51 2h68 s TRP 156 N 0.61 2.20 -0.27 3.97 0.52 0.32 0.05 118.94 126.34 2h68 s TRP 156 Ca -0.09 -0.41 -0.28 0.00 0.02 0.00 0.00 56.10 55.34 2h68 s TRP 156 Cb -0.16 -1.35 0.01 0.00 -1.15 0.00 0.00 33.47 30.83 2h68 s TRP 156 CO 0.03 0.07 1.03 0.34 0.02 0.00 0.00 176.95 178.44 2h68 s ASP 157 N -1.03 6.99 0.21 2.95 2.15 0.03 -1.44 116.67 126.52 2h68 s ASP 157 Ca 0.10 1.18 -0.10 0.00 0.43 0.00 0.00 52.55 54.17 2h68 s ASP 157 Cb -0.10 -2.53 0.15 0.00 -0.30 0.00 0.00 42.92 40.14 2h68 s ASP 157 CO 0.01 -0.75 1.84 0.58 -0.17 0.00 0.00 175.17 176.68 2h68 h VAL 158 N 5.58 1.22 -0.36 1.11 2.07 -1.70 0.19 116.25 124.35 2h68 h VAL 158 Ca -0.20 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 2h68 h VAL 158 Cb 1.06 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2h68 h VAL 158 CO 0.99 0.24 0.14 0.50 0.02 0.00 0.00 177.57 179.46 2h68 h LYS 159 N 1.04 0.55 0.00 1.57 3.64 -1.93 -3.29 116.57 118.14 2h68 h LYS 159 Ca 0.27 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2h68 h LYS 159 Cb 0.00 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2h68 h LYS 159 CO -0.05 0.54 -1.88 0.25 -2.27 0.00 0.00 179.45 176.04 2h68 n THR 160 N -4.67 0.00 -0.97 1.00 -2.24 -1.20 -4.97 114.28 101.23 2h68 n THR 160 Ca -0.01 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2h68 n THR 160 Cb 0.15 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 2h68 n THR 160 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h68 n GLY 161 N 1.33 0.40 3.82 3.38 0.00 0.65 -5.01 105.19 109.75 2h68 n GLY 161 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2h68 n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h68 s LYS 162 N -0.59 4.23 -0.22 1.61 -0.14 -1.24 -4.66 119.74 118.73 2h68 s LYS 162 Ca 0.00 0.86 -0.29 0.00 -1.36 0.00 0.00 55.97 55.18 2h68 s LYS 162 Cb 0.00 -2.81 -0.01 0.00 -1.68 0.00 0.00 37.83 33.33 2h68 s LYS 162 CO 0.00 0.36 1.30 0.00 -0.76 0.00 0.00 175.35 176.25 2h68 h LEU 164 N 10.29 0.67 -7.68 0.00 3.38 -0.73 -3.48 115.31 117.77 2h68 h LEU 164 Ca -0.27 -0.92 -0.19 0.00 0.09 0.00 0.00 57.88 56.59 2h68 h LEU 164 Cb 1.10 -0.22 -0.25 0.00 0.09 0.00 0.00 40.66 41.39 2h68 h LEU 164 CO 1.00 1.67 -0.58 -0.54 0.09 0.00 0.00 178.44 180.08 2h68 s LYS 165 N -2.55 0.22 -0.22 1.13 1.02 -1.06 -5.01 119.74 113.28 2h68 s LYS 165 Ca -0.13 -0.03 0.01 0.00 0.02 0.00 0.00 55.97 55.84 2h68 s LYS 165 Cb 0.04 0.10 0.03 0.00 -0.52 0.00 0.00 37.83 37.48 2h68 s LYS 165 CO 0.88 -0.04 -0.14 0.99 -0.92 0.00 0.00 175.35 176.12 2h68 s THR 166 N -0.39 2.31 -0.23 2.17 2.01 -1.26 -1.47 115.64 118.78 2h68 s THR 166 Ca -0.05 -1.13 -0.12 0.00 0.31 0.00 0.00 61.69 60.70 2h68 s THR 166 Cb -0.03 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 2h68 s THR 166 CO 0.00 0.31 0.24 -0.76 -0.69 0.00 0.00 174.62 173.72 2h68 s LEU 167 N 1.25 4.12 -1.38 4.42 1.43 0.14 -4.98 118.68 123.68 2h68 s LEU 167 Ca 0.00 0.24 -0.15 0.00 -1.03 0.00 0.00 54.13 53.19 2h68 s LEU 167 Cb -0.16 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 43.84 2h68 s LEU 167 CO -0.09 0.01 2.18 -0.81 0.23 0.00 0.00 176.35 177.87 2h68 n PRO 168 N 4.40 2.73 -0.04 1.29 -0.04 -1.26 -2.03 135.00 140.04 2h68 n PRO 168 Ca -0.13 -2.55 -0.15 0.00 -0.04 0.00 0.00 63.50 60.63 2h68 n PRO 168 Cb 0.52 -3.26 -0.04 0.00 -0.04 0.00 0.00 33.50 30.68 2h68 n PRO 168 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2h68 h ALA 169 N 6.28 0.45 -2.78 0.55 0.00 -1.90 -3.48 119.26 118.38 2h68 h ALA 169 Ca 0.55 -0.55 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 2h68 h ALA 169 Cb 0.65 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.28 2h68 h ALA 169 CO 1.87 0.69 -0.36 -1.01 0.00 0.00 0.00 179.25 180.44 2h68 s HIS 170 N -3.95 1.01 -0.27 0.00 3.76 -0.91 -5.02 115.29 109.91 2h68 s HIS 170 Ca -0.10 -1.22 0.14 0.00 -0.15 0.00 0.00 55.06 53.73 2h68 s HIS 170 Cb 0.10 -0.26 0.36 0.00 1.11 0.00 0.00 32.58 33.88 2h68 s HIS 170 CO 0.89 -0.89 1.26 -1.13 -0.85 0.00 0.00 174.74 174.02 2h68 n SER 171 N -0.77 3.04 -3.76 1.40 3.41 -1.26 -4.78 113.62 110.91 2h68 n SER 171 Ca 0.02 -2.74 -0.08 0.00 -0.26 0.00 0.00 58.87 55.81 2h68 n SER 171 Cb 0.63 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 2h68 n SER 171 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2h68 s ASP 172 N -1.93 -0.17 0.33 4.04 1.01 -1.26 -4.89 116.67 113.80 2h68 s ASP 172 Ca 0.31 -0.76 -0.26 0.00 0.71 0.00 0.00 52.55 52.54 2h68 s ASP 172 Cb 0.24 0.72 -0.13 0.00 1.01 0.00 0.00 42.92 44.76 2h68 s ASP 172 CO 0.07 -1.35 0.91 -2.65 0.21 0.00 0.00 175.17 172.37 2h68 n PRO 173 N -0.46 1.16 -2.83 8.23 -0.02 -1.26 -4.42 135.00 135.41 2h68 n PRO 173 Ca -0.04 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 2h68 n PRO 173 Cb 0.60 -1.79 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 2h68 n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2h68 s VAL 174 N -1.17 4.76 -0.11 -1.45 1.01 -0.70 -2.59 120.40 120.16 2h68 s VAL 174 Ca 0.61 1.61 0.16 0.00 0.00 0.00 0.00 61.98 64.36 2h68 s VAL 174 Cb -0.67 -4.19 -0.15 0.00 0.00 0.00 0.00 36.38 31.37 2h68 s VAL 174 CO 0.59 -0.17 0.79 -1.54 0.00 0.00 0.00 175.10 174.77 2h68 n SER 175 N 6.19 0.85 -3.54 3.32 3.41 0.08 -4.16 113.62 119.77 2h68 n SER 175 Ca 0.07 0.38 -0.16 0.00 -0.26 0.00 0.00 58.87 58.90 2h68 n SER 175 Cb 0.47 0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.50 2h68 n SER 175 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h68 s ALA 176 N -2.87 -1.55 -0.05 7.33 0.00 -1.23 -4.78 121.76 118.61 2h68 s ALA 176 Ca -0.03 0.94 -0.07 0.00 0.00 0.00 0.00 51.96 52.80 2h68 s ALA 176 Cb 0.09 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.44 2h68 s ALA 176 CO 0.81 -0.45 0.17 0.14 0.00 0.00 0.00 175.76 176.44 2h68 s VAL 177 N -1.86 0.03 -0.21 0.00 -7.23 -1.26 -1.89 120.40 107.97 2h68 s VAL 177 Ca -0.08 -0.21 -0.18 0.00 -1.81 0.00 0.00 61.98 59.71 2h68 s VAL 177 Cb -0.01 -0.31 0.06 0.00 0.56 0.00 0.00 36.38 36.68 2h68 s VAL 177 CO 0.03 -0.11 0.55 -2.28 -0.31 0.00 0.00 175.10 172.98 2h68 s HIS 178 N -0.36 -0.66 0.29 2.82 5.04 -0.62 -4.62 115.29 117.17 2h68 s HIS 178 Ca -0.04 1.54 -0.11 0.00 -1.54 0.00 0.00 55.06 54.90 2h68 s HIS 178 Cb -0.03 0.27 -0.08 0.00 0.04 0.00 0.00 32.58 32.78 2h68 s HIS 178 CO 0.01 -0.33 0.64 -0.06 -2.34 0.00 0.00 174.74 172.66 2h68 s PHE 179 N 0.60 3.41 0.34 3.88 0.08 -1.26 -0.63 117.98 124.41 2h68 s PHE 179 Ca -0.02 1.00 -0.06 0.00 0.12 0.00 0.00 56.93 57.96 2h68 s PHE 179 Cb -0.05 -2.37 0.08 0.00 -0.57 0.00 0.00 43.02 40.12 2h68 s PHE 179 CO -0.04 0.16 0.47 0.27 -0.10 0.00 0.00 175.22 175.98 2h68 n ASN 180 N -0.41 0.05 0.08 1.36 6.94 -0.62 -4.78 115.26 117.88 2h68 n ASN 180 Ca 0.02 -1.18 0.13 0.00 -0.02 0.00 0.00 54.58 53.53 2h68 n ASN 180 Cb 0.53 -0.36 0.62 0.00 -2.36 0.00 0.00 39.78 38.21 2h68 n ASN 180 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 2h68 h ARG 181 N 0.00 0.11 0.00 -3.83 2.43 -1.88 -2.43 114.38 108.79 2h68 h ARG 181 Ca -0.15 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2h68 h ARG 181 Cb 0.42 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2h68 h ARG 181 CO 0.11 0.07 0.00 -0.40 -1.51 0.00 0.00 179.97 178.24 2h68 n ASP 182 N -4.46 1.69 0.00 -3.80 5.75 -1.26 -4.79 116.55 109.67 2h68 n ASP 182 Ca 0.04 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 2h68 n ASP 182 Cb 0.33 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 2h68 n ASP 182 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2h68 n GLY 183 N -0.34 0.80 0.20 6.12 0.00 -0.91 -4.83 105.19 106.22 2h68 n GLY 183 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2h68 n GLY 183 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2h68 h SER 184 N 0.00 0.00 -4.13 1.61 4.64 -1.94 -3.43 113.55 110.29 2h68 h SER 184 Ca 0.00 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.90 2h68 h SER 184 Cb 0.00 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 61.90 2h68 h SER 184 CO 0.00 0.19 -0.77 -0.76 -0.87 0.00 0.00 176.83 174.63 2h68 s LEU 185 N -6.39 2.37 -0.03 5.97 1.43 -1.26 -1.39 118.68 119.38 2h68 s LEU 185 Ca 0.04 -0.77 0.07 0.00 -1.03 0.00 0.00 54.13 52.44 2h68 s LEU 185 Cb 0.07 -0.57 -0.02 0.00 0.03 0.00 0.00 46.19 45.71 2h68 s LEU 185 CO 0.67 -0.12 -0.23 -0.63 0.23 0.00 0.00 176.35 176.27 2h68 s ILE 186 N -1.92 1.86 -0.07 -0.59 1.01 -0.39 -1.59 121.20 119.50 2h68 s ILE 186 Ca 0.07 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.73 2h68 s ILE 186 Cb -0.06 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 2h68 s ILE 186 CO 0.03 0.53 -0.06 0.54 0.00 0.00 0.00 174.94 175.98 2h68 s VAL 187 N -0.42 3.81 0.11 2.92 0.11 0.19 -0.10 120.40 127.02 2h68 s VAL 187 Ca 0.05 -0.44 0.06 0.00 -2.93 0.00 0.00 61.98 58.73 2h68 s VAL 187 Cb -0.10 -2.57 -0.04 0.00 -1.53 0.00 0.00 36.38 32.14 2h68 s VAL 187 CO 0.00 0.60 -0.15 -0.94 -3.33 0.00 0.00 175.10 171.28 2h68 s SER 188 N -0.77 2.02 0.14 3.54 1.04 0.01 -1.59 113.70 118.09 2h68 s SER 188 Ca 0.12 -0.75 0.05 0.00 0.48 0.00 0.00 55.95 55.84 2h68 s SER 188 Cb -0.11 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 2h68 s SER 188 CO 0.02 -0.10 -0.11 -0.94 0.98 0.00 0.00 173.24 173.09 2h68 s SER 189 N -2.24 1.86 0.08 7.02 1.04 -0.79 -1.08 113.70 119.59 2h68 s SER 189 Ca 0.06 -0.97 -0.15 0.00 0.48 0.00 0.00 55.95 55.38 2h68 s SER 189 Cb -0.07 -0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.05 2h68 s SER 189 CO 0.03 -0.29 0.35 -0.55 0.98 0.00 0.00 173.24 173.76 2h68 s SER 190 N -3.02 -0.16 0.00 7.02 0.15 -1.00 -0.74 113.70 115.94 2h68 s SER 190 Ca 0.15 -0.25 0.11 0.00 0.70 0.00 0.00 55.95 56.66 2h68 s SER 190 Cb 0.01 0.41 0.51 0.00 -1.71 0.00 0.00 66.02 65.24 2h68 s SER 190 CO 0.01 -0.72 1.32 -1.22 1.20 0.00 0.00 173.24 173.83 2h68 n TYR 191 N 0.20 0.00 0.49 3.44 4.01 -1.07 -1.56 117.16 122.66 2h68 n TYR 191 Ca -0.17 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.66 2h68 n TYR 191 Cb 0.61 -0.41 0.38 0.00 -0.31 0.00 0.00 39.34 39.61 2h68 n TYR 191 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2h68 n ASP 192 N -1.41 0.23 0.00 7.72 5.68 -1.26 -4.30 116.55 123.20 2h68 n ASP 192 Ca 0.04 0.55 0.00 0.00 -0.50 0.00 0.00 54.79 54.88 2h68 n ASP 192 Cb 0.11 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 39.49 2h68 n ASP 192 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2h68 n GLY 193 N 0.07 0.76 3.75 6.12 0.00 -0.60 -4.92 105.19 110.37 2h68 n GLY 193 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2h68 n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h68 s LEU 194 N 0.00 3.72 -0.06 0.99 1.43 -1.25 -4.58 118.68 118.93 2h68 s LEU 194 Ca 0.00 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 2h68 s LEU 194 Cb 0.00 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 2h68 s LEU 194 CO 0.00 0.17 -0.21 0.00 0.23 0.00 0.00 176.35 176.54 2h68 s ARG 196 N -0.26 0.99 -0.14 0.00 0.52 -0.24 -0.44 118.95 119.38 2h68 s ARG 196 Ca -0.00 -0.59 -0.03 0.00 -0.52 0.00 0.00 55.73 54.59 2h68 s ARG 196 Cb -0.13 -0.98 -0.03 0.00 0.52 0.00 0.00 34.95 34.34 2h68 s ARG 196 CO 0.03 0.26 -0.06 0.42 0.02 0.00 0.00 175.30 175.97 2h68 s ILE 197 N -0.55 3.73 0.03 1.52 -1.09 0.22 -0.81 121.20 124.25 2h68 s ILE 197 Ca 0.03 -0.42 0.09 0.00 -2.23 0.00 0.00 60.65 58.12 2h68 s ILE 197 Cb -0.06 -2.62 -0.03 0.00 -1.58 0.00 0.00 42.46 38.17 2h68 s ILE 197 CO 0.00 0.51 -0.25 0.26 -1.23 0.00 0.00 174.94 174.23 2h68 s TRP 198 N 0.28 2.35 -0.23 3.97 0.52 0.85 -0.32 118.94 126.36 2h68 s TRP 198 Ca -0.04 -0.40 -0.28 0.00 0.02 0.00 0.00 56.10 55.40 2h68 s TRP 198 Cb -0.14 -1.42 0.01 0.00 -1.15 0.00 0.00 33.47 30.76 2h68 s TRP 198 CO 0.03 0.11 0.99 0.34 0.02 0.00 0.00 176.95 178.44 2h68 s ASP 199 N -1.15 7.03 0.14 2.95 2.15 0.26 -1.27 116.67 126.79 2h68 s ASP 199 Ca 0.12 1.29 -0.18 0.00 0.43 0.00 0.00 52.55 54.21 2h68 s ASP 199 Cb -0.10 -2.51 0.01 0.00 -0.30 0.00 0.00 42.92 40.01 2h68 s ASP 199 CO 0.02 -0.64 1.75 0.74 -0.17 0.00 0.00 175.17 176.88 2h68 h THR 200 N 5.45 0.94 -0.33 1.71 2.02 -1.50 0.15 112.91 121.35 2h68 h THR 200 Ca -0.20 -0.08 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 2h68 h THR 200 Cb 1.07 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 2h68 h THR 200 CO 0.95 0.04 -0.20 0.00 0.37 0.00 0.00 175.52 176.69 2h68 h ALA 201 N 1.18 1.05 0.00 6.16 0.00 -1.90 -3.22 119.26 122.53 2h68 h ALA 201 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2h68 h ALA 201 Cb 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2h68 h ALA 201 CO -0.12 0.58 -1.41 -1.13 0.00 0.00 0.00 179.25 177.17 2h68 n SER 202 N -4.14 0.85 -0.29 0.00 3.41 -1.19 -4.99 113.62 107.27 2h68 n SER 202 Ca 0.00 -0.38 -0.04 0.00 -0.26 0.00 0.00 58.87 58.19 2h68 n SER 202 Cb 0.39 1.48 -0.02 0.00 -0.26 0.00 0.00 64.21 65.81 2h68 n SER 202 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h68 n GLY 203 N 1.45 0.55 3.80 5.00 0.00 0.52 -5.00 105.19 111.51 2h68 n GLY 203 Ca -0.01 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2h68 n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2h68 s GLN 204 N -1.74 4.40 -0.36 1.61 -1.52 -1.22 -4.81 119.66 116.03 2h68 s GLN 204 Ca 0.00 1.03 -0.29 0.00 -1.95 0.00 0.00 55.36 54.15 2h68 s GLN 204 Cb 0.00 -3.00 0.02 0.00 -0.22 0.00 0.00 33.01 29.81 2h68 s GLN 204 CO 0.00 0.44 1.11 0.00 -0.25 0.00 0.00 175.29 176.59 2h68 h LEU 206 N 10.44 0.00 -7.22 0.00 3.38 -1.02 -3.48 115.31 117.41 2h68 h LEU 206 Ca -0.22 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 2h68 h LEU 206 Cb 1.06 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.57 2h68 h LEU 206 CO 1.06 0.80 -0.21 -0.75 0.09 0.00 0.00 178.44 179.43 2h68 s LYS 207 N -2.75 0.50 -0.19 1.13 2.47 -1.12 -4.99 119.74 114.79 2h68 s LYS 207 Ca -0.04 0.75 -0.02 0.00 -1.56 0.00 0.00 55.97 55.11 2h68 s LYS 207 Cb 0.08 0.14 -0.00 0.00 -1.46 0.00 0.00 37.83 36.59 2h68 s LYS 207 CO 0.82 -0.11 -0.10 0.99 0.16 0.00 0.00 175.35 177.11 2h68 s THR 208 N 0.83 3.00 -0.16 3.43 2.01 -1.26 -0.61 115.64 122.88 2h68 s THR 208 Ca -0.05 -0.64 -0.16 0.00 0.31 0.00 0.00 61.69 61.16 2h68 s THR 208 Cb -0.05 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2h68 s THR 208 CO -0.06 0.48 0.39 -0.76 -0.69 0.00 0.00 174.62 173.97 2h68 s LEU 209 N 1.11 4.22 0.22 4.42 1.43 0.42 -5.01 118.68 125.50 2h68 s LEU 209 Ca 0.01 0.61 0.10 0.00 -1.03 0.00 0.00 54.13 53.81 2h68 s LEU 209 Cb -0.14 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 2h68 s LEU 209 CO -0.03 0.01 -0.18 0.27 0.23 0.00 0.00 176.35 176.65 2h68 s ILE 210 N 0.81 2.10 -0.04 -0.59 -4.36 -1.26 -3.05 121.20 114.80 2h68 s ILE 210 Ca 0.20 -2.22 -0.00 0.00 -0.26 0.00 0.00 60.65 58.38 2h68 s ILE 210 Cb -0.14 -2.11 0.03 0.00 1.25 0.00 0.00 42.46 41.48 2h68 s ILE 210 CO 0.07 -0.42 -0.00 -0.62 0.24 0.00 0.00 174.94 174.21 2h68 s ASP 211 N -3.20 0.89 0.38 4.36 -1.08 -1.26 -5.08 116.67 111.67 2h68 s ASP 211 Ca 0.24 -0.05 -0.26 0.00 -0.52 0.00 0.00 52.55 51.95 2h68 s ASP 211 Cb -0.04 -0.32 -0.11 0.00 -1.46 0.00 0.00 42.92 40.99 2h68 s ASP 211 CO 0.10 -0.13 1.15 -0.90 0.52 0.00 0.00 175.17 175.92 2h68 n ASP 212 N 4.47 2.01 0.00 -0.34 3.85 -1.26 -0.70 116.55 124.58 2h68 n ASP 212 Ca -0.19 1.12 0.00 0.00 -0.71 0.00 0.00 54.79 55.01 2h68 n ASP 212 Cb 0.50 -1.42 0.00 0.00 -1.35 0.00 0.00 41.12 38.86 2h68 n ASP 212 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 2h68 n ASP 213 N 0.61 0.00 -3.54 -1.12 9.92 -1.26 -4.78 116.55 116.38 2h68 n ASP 213 Ca 0.07 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.12 2h68 n ASP 213 Cb 0.37 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.94 2h68 n ASP 213 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2h68 n ASN 214 N 0.75 -4.47 -4.77 -2.24 5.15 0.12 -4.94 115.26 104.87 2h68 n ASN 214 Ca 0.00 -0.58 -0.36 0.00 -0.60 0.00 0.00 54.58 53.04 2h68 n ASN 214 Cb 0.00 -5.04 -0.00 0.00 -0.53 0.00 0.00 39.78 34.21 2h68 n ASN 214 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2h68 s PRO 215 N -5.92 3.47 0.24 1.20 0.04 -1.26 -4.57 135.00 128.19 2h68 s PRO 215 Ca 0.33 1.68 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 2h68 s PRO 215 Cb -0.15 -2.13 -0.13 0.00 0.04 0.00 0.00 34.50 32.13 2h68 s PRO 215 CO 0.73 -0.77 1.40 -2.30 0.04 0.00 0.00 177.00 176.10 2h68 n PRO 216 N -1.05 2.02 -3.28 0.56 -0.02 -1.26 -4.30 135.00 127.67 2h68 n PRO 216 Ca 0.10 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.88 2h68 n PRO 216 Cb 0.50 -2.37 -0.08 0.00 -0.02 0.00 0.00 33.50 31.52 2h68 n PRO 216 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2h68 s VAL 217 N -0.07 5.04 -0.63 -1.45 1.01 -0.62 -1.18 120.40 122.50 2h68 s VAL 217 Ca 0.68 0.08 0.23 0.00 0.00 0.00 0.00 61.98 62.97 2h68 s VAL 217 Cb -0.65 -3.98 -0.12 0.00 0.00 0.00 0.00 36.38 31.62 2h68 s VAL 217 CO 0.50 -0.29 1.02 -1.54 0.00 0.00 0.00 175.10 174.79 2h68 n SER 218 N 5.69 0.62 -3.56 3.32 3.41 0.03 -3.22 113.62 119.90 2h68 n SER 218 Ca -0.06 -0.26 -0.15 0.00 -0.26 0.00 0.00 58.87 58.14 2h68 n SER 218 Cb 0.48 0.82 -0.06 0.00 -0.26 0.00 0.00 64.21 65.19 2h68 n SER 218 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2h68 s PHE 219 N -3.19 -0.63 -0.00 7.33 5.36 -1.20 -4.38 117.98 121.27 2h68 s PHE 219 Ca 0.04 1.25 -0.17 0.00 -0.96 0.00 0.00 56.93 57.09 2h68 s PHE 219 Cb 0.15 0.38 0.03 0.00 -0.34 0.00 0.00 43.02 43.23 2h68 s PHE 219 CO 0.80 -0.49 0.36 0.54 -1.46 0.00 0.00 175.22 174.98 2h68 s VAL 220 N -0.71 0.05 0.09 3.12 0.11 -1.26 -0.63 120.40 121.18 2h68 s VAL 220 Ca -0.06 -0.44 -0.22 0.00 -2.93 0.00 0.00 61.98 58.33 2h68 s VAL 220 Cb -0.02 -0.73 0.06 0.00 -1.53 0.00 0.00 36.38 34.15 2h68 s VAL 220 CO 0.06 -0.24 0.53 -1.59 -3.33 0.00 0.00 175.10 170.52 2h68 s LYS 221 N -1.58 1.12 0.54 1.54 -2.85 -0.74 -4.61 119.74 113.16 2h68 s LYS 221 Ca -0.11 -0.39 -0.18 0.00 -1.00 0.00 0.00 55.97 54.30 2h68 s LYS 221 Cb -0.04 0.51 -0.06 0.00 -2.06 0.00 0.00 37.83 36.18 2h68 s LYS 221 CO 0.03 -0.44 1.03 -0.06 0.10 0.00 0.00 175.35 176.02 2h68 s PHE 222 N -3.09 3.08 0.79 1.78 0.08 -1.26 -0.72 117.98 118.64 2h68 s PHE 222 Ca -0.02 1.53 -0.11 0.00 0.12 0.00 0.00 56.93 58.45 2h68 s PHE 222 Cb -0.00 -2.98 0.07 0.00 -0.57 0.00 0.00 43.02 39.53 2h68 s PHE 222 CO -0.07 -0.86 1.11 -1.54 -0.10 0.00 0.00 175.22 173.76 2h68 s SER 223 N -2.55 4.17 0.36 1.36 1.04 -0.23 -4.84 113.70 113.01 2h68 s SER 223 Ca 0.64 1.95 0.11 0.00 0.48 0.00 0.00 55.95 59.14 2h68 s SER 223 Cb -0.15 -2.54 0.90 0.00 0.10 0.00 0.00 66.02 64.33 2h68 s SER 223 CO 0.29 -2.26 1.82 -0.65 0.98 0.00 0.00 173.24 173.42 2h68 h PRO 224 N -1.16 0.59 -0.00 4.02 0.11 -1.97 -0.31 132.00 133.28 2h68 h PRO 224 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2h68 h PRO 224 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2h68 h PRO 224 CO 0.49 0.39 -0.13 0.27 -0.21 0.00 0.00 178.00 178.82 2h68 n ASN 225 N -4.63 0.33 0.00 -2.05 0.23 -1.26 -4.69 115.26 103.20 2h68 n ASN 225 Ca 0.21 -0.29 0.00 0.00 -0.53 0.00 0.00 54.58 53.97 2h68 n ASN 225 Cb 0.62 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 2h68 n ASN 225 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2h68 n GLY 226 N 1.35 1.53 0.12 4.83 0.00 -0.13 -4.86 105.19 108.03 2h68 n GLY 226 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 2h68 n GLY 226 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2h68 h LYS 227 N 2.94 0.00 -5.90 1.61 3.64 -1.92 -3.46 116.57 113.48 2h68 h LYS 227 Ca 0.00 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 2h68 h LYS 227 Cb 0.00 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.68 2h68 h LYS 227 CO 0.00 0.57 -0.71 0.71 -2.27 0.00 0.00 179.45 177.75 2h68 s TYR 228 N -2.91 2.19 0.05 1.91 2.02 -1.26 -4.11 117.35 115.23 2h68 s TYR 228 Ca 0.03 -0.49 0.08 0.00 -0.37 0.00 0.00 57.07 56.32 2h68 s TYR 228 Cb 0.08 -1.12 -0.03 0.00 -0.40 0.00 0.00 41.96 40.49 2h68 s TYR 228 CO 0.76 0.54 -0.22 0.96 -1.57 0.00 0.00 175.55 176.03 2h68 s ILE 229 N -2.70 1.77 -0.24 2.71 -5.25 -0.48 -1.07 121.20 115.94 2h68 s ILE 229 Ca 0.30 -1.26 -0.06 0.00 -0.99 0.00 0.00 60.65 58.64 2h68 s ILE 229 Cb -0.00 -1.54 -0.02 0.00 2.95 0.00 0.00 42.46 43.85 2h68 s ILE 229 CO 0.14 0.23 0.03 -0.22 -1.79 0.00 0.00 174.94 173.33 2h68 s LEU 230 N -1.22 3.26 -0.04 0.37 2.96 0.10 -0.61 118.68 123.50 2h68 s LEU 230 Ca 0.08 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 2h68 s LEU 230 Cb -0.09 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 2h68 s LEU 230 CO 0.02 -0.04 -0.20 0.00 -1.32 0.00 0.00 176.35 174.82 2h68 s ALA 231 N 1.56 1.70 -0.11 5.97 0.00 -0.21 -1.79 121.76 128.89 2h68 s ALA 231 Ca 0.06 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 2h68 s ALA 231 Cb -0.15 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 2h68 s ALA 231 CO 0.01 0.35 0.01 0.00 0.00 0.00 0.00 175.76 176.13 2h68 s ALA 232 N -0.15 3.29 0.18 0.00 0.00 0.20 -0.75 121.76 124.52 2h68 s ALA 232 Ca -0.00 -0.79 0.10 0.00 0.00 0.00 0.00 51.96 51.26 2h68 s ALA 232 Cb -0.11 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 2h68 s ALA 232 CO 0.02 0.48 -0.20 0.95 0.00 0.00 0.00 175.76 177.00 2h68 s THR 233 N -0.53 2.01 -0.37 0.00 -4.23 -0.41 -0.79 115.64 111.32 2h68 s THR 233 Ca 0.09 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.65 2h68 s THR 233 Cb -0.12 -1.95 0.10 0.00 1.34 0.00 0.00 72.50 71.87 2h68 s THR 233 CO 0.02 -0.25 0.96 0.18 -0.54 0.00 0.00 174.62 174.99 2h68 n LEU 234 N 0.26 2.82 -1.91 4.79 4.77 -0.32 -2.98 117.00 124.43 2h68 n LEU 234 Ca -0.13 -1.43 -0.23 0.00 -0.03 0.00 0.00 56.01 54.19 2h68 n LEU 234 Cb 0.57 -0.54 0.09 0.00 -2.33 0.00 0.00 43.42 41.20 2h68 n LEU 234 CO 0.29 0.47 0.71 -0.90 -1.33 0.00 0.00 177.39 176.64 2h68 n ASP 235 N 0.21 5.14 -3.59 -1.43 3.85 -1.23 -4.25 116.55 115.24 2h68 n ASP 235 Ca 0.06 -3.77 -0.24 0.00 -0.71 0.00 0.00 54.79 50.13 2h68 n ASP 235 Cb 0.56 -0.62 0.08 0.00 -1.35 0.00 0.00 41.12 39.79 2h68 n ASP 235 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2h68 n ASN 236 N -0.89 -6.35 -3.82 -1.12 3.02 -0.62 -4.98 115.26 100.50 2h68 n ASN 236 Ca 0.48 -0.54 -0.13 0.00 -0.03 0.00 0.00 54.58 54.36 2h68 n ASN 236 Cb 0.91 -5.03 -0.14 0.00 -0.61 0.00 0.00 39.78 34.92 2h68 n ASN 236 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2h68 s THR 237 N -3.32 -0.01 -0.07 3.41 2.01 -1.22 -4.32 115.64 112.13 2h68 s THR 237 Ca 0.58 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.65 2h68 s THR 237 Cb -0.26 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.09 2h68 s THR 237 CO 0.73 0.02 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.82 2h68 s LEU 238 N 0.33 2.96 -0.02 4.42 1.43 -0.45 -1.29 118.68 126.07 2h68 s LEU 238 Ca -0.02 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2h68 s LEU 238 Cb -0.04 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.55 2h68 s LEU 238 CO -0.01 0.34 -0.11 -0.54 0.23 0.00 0.00 176.35 176.26 2h68 s LYS 239 N -0.66 0.98 -0.28 1.70 1.02 0.07 -0.07 119.74 122.51 2h68 s LYS 239 Ca 0.10 -0.38 -0.11 0.00 0.02 0.00 0.00 55.97 55.61 2h68 s LYS 239 Cb -0.11 -0.93 -0.05 0.00 -0.52 0.00 0.00 37.83 36.22 2h68 s LYS 239 CO 0.01 0.19 0.18 -1.17 -0.92 0.00 0.00 175.35 173.65 2h68 s LEU 240 N -0.07 3.98 -0.04 3.17 2.96 0.06 -1.04 118.68 127.69 2h68 s LEU 240 Ca 0.01 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 2h68 s LEU 240 Cb -0.06 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 2h68 s LEU 240 CO 0.00 -0.05 -0.16 0.26 -1.32 0.00 0.00 176.35 175.08 2h68 s TRP 241 N 1.75 2.64 -0.64 5.38 0.52 0.22 0.07 118.94 128.88 2h68 s TRP 241 Ca 0.07 -0.20 -0.22 0.00 0.02 0.00 0.00 56.10 55.77 2h68 s TRP 241 Cb -0.16 -1.61 0.08 0.00 -1.15 0.00 0.00 33.47 30.63 2h68 s TRP 241 CO 0.10 0.15 0.91 0.34 0.02 0.00 0.00 176.95 178.48 2h68 s ASP 242 N -0.72 6.18 0.33 2.95 -1.08 0.50 -1.38 116.67 123.44 2h68 s ASP 242 Ca 0.11 -1.06 0.12 0.00 -0.52 0.00 0.00 52.55 51.20 2h68 s ASP 242 Cb -0.10 -2.40 0.55 0.00 -1.46 0.00 0.00 42.92 39.51 2h68 s ASP 242 CO 0.00 -1.37 1.73 0.10 0.52 0.00 0.00 175.17 176.15 2h68 h TYR 243 N 9.49 0.00 -0.61 -5.34 -0.00 -1.84 0.18 116.97 118.84 2h68 h TYR 243 Ca -0.29 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.38 2h68 h TYR 243 Cb 1.07 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.78 2h68 h TYR 243 CO 0.94 0.49 0.14 0.77 -0.00 0.00 0.00 178.16 180.50 2h68 h SER 244 N 0.00 0.90 0.54 0.10 0.02 -1.92 -2.74 113.55 110.45 2h68 h SER 244 Ca -0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2h68 h SER 244 Cb 0.87 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2h68 h SER 244 CO 0.06 0.87 -0.63 0.29 -1.14 0.00 0.00 176.83 176.29 2h68 n LYS 245 N -4.25 0.10 -3.38 3.45 5.02 -1.02 -4.97 118.16 113.11 2h68 n LYS 245 Ca 0.04 0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 56.13 2h68 n LYS 245 Cb 0.24 -1.55 0.06 0.00 -0.02 0.00 0.00 35.03 33.77 2h68 n LYS 245 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2h68 n GLY 246 N 1.45 -0.49 3.26 0.72 0.00 -0.01 -5.00 105.19 105.12 2h68 n GLY 246 Ca 0.04 0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 2h68 n GLY 246 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h68 s LYS 247 N -6.08 3.16 -0.26 1.61 2.20 -0.82 -4.99 119.74 114.57 2h68 s LYS 247 Ca 0.48 -0.80 -0.25 0.00 -0.36 0.00 0.00 55.97 55.03 2h68 s LYS 247 Cb -0.21 -2.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 2h68 s LYS 247 CO 0.60 0.14 0.87 0.00 -0.36 0.00 0.00 175.35 176.61 2h68 n LEU 249 N 6.16 2.21 -3.94 0.00 4.77 0.11 -4.97 117.00 121.34 2h68 n LEU 249 Ca 0.07 0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 56.07 2h68 n LEU 249 Cb 0.47 -0.70 -0.11 0.00 -2.33 0.00 0.00 43.42 40.76 2h68 n LEU 249 CO 0.49 0.77 -0.29 -0.54 -1.33 0.00 0.00 177.39 176.50 2h68 s LYS 250 N -2.55 0.37 -0.03 3.23 -0.14 -1.10 -4.99 119.74 114.52 2h68 s LYS 250 Ca -0.22 -0.51 0.03 0.00 -1.36 0.00 0.00 55.97 53.91 2h68 s LYS 250 Cb 0.07 0.14 0.00 0.00 -1.68 0.00 0.00 37.83 36.37 2h68 s LYS 250 CO 0.73 -0.07 -0.11 0.99 -0.76 0.00 0.00 175.35 176.13 2h68 s THR 251 N -1.38 0.96 -0.12 2.17 2.01 -1.26 -0.76 115.64 117.26 2h68 s THR 251 Ca -0.15 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.42 2h68 s THR 251 Cb -0.09 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.58 2h68 s THR 251 CO -0.00 0.29 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.68 2h68 s TYR 252 N 0.14 2.62 0.31 4.92 2.02 0.90 -4.89 117.35 123.37 2h68 s TYR 252 Ca -0.03 -1.19 0.04 0.00 -0.37 0.00 0.00 57.07 55.51 2h68 s TYR 252 Cb -0.09 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2h68 s TYR 252 CO 0.01 -0.51 0.18 0.95 -1.57 0.00 0.00 175.55 174.60 2h68 s THR 253 N 0.58 0.24 0.00 -0.71 -4.23 -1.26 -1.34 115.64 108.92 2h68 s THR 253 Ca -0.13 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 2h68 s THR 253 Cb -0.17 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.18 2h68 s THR 253 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2h68 n GLY 254 N -0.58 1.43 3.53 3.99 0.00 -1.26 -4.90 105.19 107.41 2h68 n GLY 254 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 2h68 n GLY 254 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2h68 n HIS 255 N -1.48 -2.96 -4.49 1.61 1.44 -1.26 -5.10 115.22 102.97 2h68 n HIS 255 Ca 0.00 -1.61 -0.33 0.00 -2.01 0.00 0.00 57.72 53.77 2h68 n HIS 255 Cb 0.00 -0.66 -0.16 0.00 0.12 0.00 0.00 29.99 29.29 2h68 n HIS 255 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2h68 s LYS 256 N -4.85 3.06 -0.33 -1.40 -0.14 -1.26 -4.82 119.74 110.00 2h68 s LYS 256 Ca 0.60 -0.82 0.05 0.00 -1.36 0.00 0.00 55.97 54.44 2h68 s LYS 256 Cb -0.03 -2.52 0.18 0.00 -1.68 0.00 0.00 37.83 33.78 2h68 s LYS 256 CO 0.40 -0.06 0.53 1.21 -0.76 0.00 0.00 175.35 176.66 2h68 s ASN 257 N 0.95 -0.79 0.00 2.83 2.47 -1.26 -0.44 114.94 118.70 2h68 s ASN 257 Ca -0.03 -0.36 0.00 0.00 0.42 0.00 0.00 52.86 52.88 2h68 s ASN 257 Cb -0.15 1.62 0.00 0.00 -1.45 0.00 0.00 41.25 41.28 2h68 s ASN 257 CO -0.04 -0.28 0.18 -0.62 -3.72 0.00 0.00 177.10 172.61 2h68 n GLU 258 N 5.06 1.94 0.02 0.43 1.02 -1.26 -1.59 120.64 126.26 2h68 n GLU 258 Ca 0.06 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2h68 n GLU 258 Cb 0.53 -0.60 0.00 0.00 -0.02 0.00 0.00 31.44 31.35 2h68 n GLU 258 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2h68 n LYS 259 N -0.33 0.00 -3.73 3.49 4.81 -1.26 -4.92 118.16 116.22 2h68 n LYS 259 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 2h68 n LYS 259 Cb 0.04 -0.16 -0.03 0.00 0.02 0.00 0.00 35.03 34.90 2h68 n LYS 259 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2h68 s TYR 260 N -2.00 3.48 -0.36 5.64 2.02 -1.26 -5.04 117.35 119.84 2h68 s TYR 260 Ca 0.00 0.34 -0.29 0.00 -0.37 0.00 0.00 57.07 56.75 2h68 s TYR 260 Cb 0.00 -1.85 -0.00 0.00 -0.40 0.00 0.00 41.96 39.71 2h68 s TYR 260 CO 0.00 0.41 1.58 0.00 -1.57 0.00 0.00 175.55 175.97 2h68 s ILE 262 N 5.94 3.20 0.32 0.00 1.01 -1.26 -4.87 121.20 125.54 2h68 s ILE 262 Ca 0.69 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 60.48 2h68 s ILE 262 Cb -0.18 -2.40 -0.10 0.00 0.01 0.00 0.00 42.46 39.78 2h68 s ILE 262 CO 0.32 0.47 1.19 -0.36 0.00 0.00 0.00 174.94 176.57 2h68 s PHE 263 N 0.96 3.31 0.26 3.97 0.40 -0.95 -4.75 117.98 121.18 2h68 s PHE 263 Ca -0.01 1.57 0.05 0.00 -0.60 0.00 0.00 56.93 57.94 2h68 s PHE 263 Cb -0.15 -3.45 -0.05 0.00 0.51 0.00 0.00 43.02 39.87 2h68 s PHE 263 CO -0.00 -1.16 -0.04 0.00 0.70 0.00 0.00 175.22 174.72 2h68 s ALA 264 N -1.19 2.12 0.00 5.36 0.00 -1.26 -3.53 121.76 123.27 2h68 s ALA 264 Ca 0.48 -1.84 -0.15 0.00 0.00 0.00 0.00 51.96 50.45 2h68 s ALA 264 Cb -0.35 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.09 2h68 s ALA 264 CO 0.45 -0.14 0.32 -0.80 0.00 0.00 0.00 175.76 175.60 2h68 s ASN 265 N -3.38 -0.19 -0.22 0.00 0.01 0.45 -4.98 114.94 106.63 2h68 s ASN 265 Ca 0.29 0.03 -0.20 0.00 -0.71 0.00 0.00 52.86 52.27 2h68 s ASN 265 Cb 0.04 0.33 -0.02 0.00 0.41 0.00 0.00 41.25 42.02 2h68 s ASN 265 CO 0.10 -0.50 0.62 -0.36 -1.51 0.00 0.00 177.10 175.45 2h68 s PHE 266 N -1.67 3.33 -0.21 2.20 0.08 -1.26 -0.85 117.98 119.59 2h68 s PHE 266 Ca -0.11 0.86 -0.14 0.00 0.12 0.00 0.00 56.93 57.66 2h68 s PHE 266 Cb -0.04 -2.81 -0.04 0.00 -0.57 0.00 0.00 43.02 39.56 2h68 s PHE 266 CO 0.02 -0.24 0.30 0.45 -0.10 0.00 0.00 175.22 175.66 2h68 s SER 267 N 1.33 6.32 0.00 1.36 0.15 -0.49 -4.94 113.70 117.42 2h68 s SER 267 Ca 0.27 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.28 2h68 s SER 267 Cb -0.16 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2h68 s SER 267 CO 0.09 -0.01 0.17 1.33 1.20 0.00 0.00 173.24 176.02 2h68 n VAL 268 N 4.28 0.00 0.14 4.45 0.24 -1.26 -2.16 118.33 124.02 2h68 n VAL 268 Ca -0.11 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2h68 n VAL 268 Cb 0.51 1.49 0.16 0.00 -1.47 0.00 0.00 33.84 34.53 2h68 n VAL 268 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2h68 h THR 269 N 0.49 1.27 0.00 3.34 1.35 -1.89 -3.46 112.91 114.00 2h68 h THR 269 Ca 0.00 -2.16 0.00 0.00 -0.55 0.00 0.00 66.41 63.70 2h68 h THR 269 Cb 0.24 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2h68 h THR 269 CO 0.00 0.58 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 2h68 n GLY 270 N 0.51 2.46 3.70 5.82 0.00 -1.26 -4.91 105.19 111.52 2h68 n GLY 270 Ca -0.00 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 2h68 n GLY 270 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2h68 s GLY 271 N 0.00 2.09 -0.56 -0.02 0.00 -1.26 -4.96 107.32 102.61 2h68 s GLY 271 Ca 0.00 0.77 -0.20 0.00 0.00 0.00 0.00 44.72 45.29 2h68 s GLY 271 CO 0.00 1.18 0.72 0.54 0.00 0.00 0.00 173.10 175.54 2h68 s LYS 272 N -4.22 3.11 0.33 2.90 -0.14 -1.26 -4.31 119.74 116.15 2h68 s LYS 272 Ca 0.71 -0.99 0.09 0.00 -1.36 0.00 0.00 55.97 54.42 2h68 s LYS 272 Cb -0.27 -4.17 -0.06 0.00 -1.68 0.00 0.00 37.83 31.65 2h68 s LYS 272 CO 0.51 -1.43 -0.09 -1.58 -0.76 0.00 0.00 175.35 172.00 2h68 s TRP 273 N 2.93 2.32 -0.10 3.18 0.52 -0.92 -1.93 118.94 124.94 2h68 s TRP 273 Ca 0.16 -0.54 0.01 0.00 0.02 0.00 0.00 56.10 55.75 2h68 s TRP 273 Cb -0.20 -1.33 -0.02 0.00 -1.15 0.00 0.00 33.47 30.76 2h68 s TRP 273 CO 0.10 0.53 -0.12 0.42 0.02 0.00 0.00 176.95 177.90 2h68 s ILE 274 N -2.68 3.23 -0.05 2.03 -1.09 -0.16 -1.40 121.20 121.07 2h68 s ILE 274 Ca 0.32 -0.63 0.04 0.00 -2.23 0.00 0.00 60.65 58.15 2h68 s ILE 274 Cb 0.03 -2.33 -0.00 0.00 -1.58 0.00 0.00 42.46 38.58 2h68 s ILE 274 CO 0.16 0.55 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.56 2h68 s VAL 275 N -0.16 1.47 0.08 2.92 1.01 -0.03 -0.92 120.40 124.76 2h68 s VAL 275 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 2h68 s VAL 275 Cb -0.13 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 34.99 2h68 s VAL 275 CO 0.03 0.42 0.26 -0.55 0.00 0.00 0.00 175.10 175.26 2h68 s SER 276 N 0.10 -0.01 0.86 3.32 0.15 -0.58 -0.41 113.70 117.13 2h68 s SER 276 Ca -0.06 -0.47 -0.04 0.00 0.70 0.00 0.00 55.95 56.08 2h68 s SER 276 Cb -0.12 0.37 0.08 0.00 -1.71 0.00 0.00 66.02 64.63 2h68 s SER 276 CO 0.03 -0.72 0.46 0.61 1.20 0.00 0.00 173.24 174.82 2h68 n GLY 277 N 0.08 -0.68 3.54 9.45 0.00 -1.23 -0.80 105.19 115.54 2h68 n GLY 277 Ca -0.16 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 2h68 n GLY 277 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2h68 s SER 278 N -2.74 -0.48 0.00 1.61 0.15 -0.89 -4.67 113.70 106.67 2h68 s SER 278 Ca 0.27 0.45 0.19 0.00 0.70 0.00 0.00 55.95 57.56 2h68 s SER 278 Cb -0.01 0.41 0.96 0.00 -1.71 0.00 0.00 66.02 65.67 2h68 s SER 278 CO 0.19 -0.50 1.64 -0.62 1.20 0.00 0.00 173.24 175.15 2h68 n GLU 279 N 0.63 1.27 -0.73 5.44 1.02 0.41 -1.55 120.64 127.12 2h68 n GLU 279 Ca -0.13 -0.40 0.08 0.00 -0.02 0.00 0.00 57.16 56.69 2h68 n GLU 279 Cb 0.58 -1.32 0.37 0.00 -0.02 0.00 0.00 31.44 31.05 2h68 n GLU 279 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2h68 n ASP 280 N -0.38 5.12 -0.26 1.62 5.68 -1.26 -4.74 116.55 122.32 2h68 n ASP 280 Ca 0.15 -2.77 -0.03 0.00 -0.50 0.00 0.00 54.79 51.63 2h68 n ASP 280 Cb 0.16 -0.62 -0.01 0.00 -1.14 0.00 0.00 41.12 39.50 2h68 n ASP 280 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2h68 n ASN 281 N 0.62 -3.83 -4.56 -1.12 3.02 -1.07 -5.01 115.26 103.30 2h68 n ASN 281 Ca 0.26 0.08 -0.27 0.00 -0.03 0.00 0.00 54.58 54.63 2h68 n ASN 281 Cb 1.04 -1.63 -0.09 0.00 -0.61 0.00 0.00 39.78 38.49 2h68 n ASN 281 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2h68 s LEU 282 N -0.78 2.95 -0.14 3.41 1.43 -1.26 -4.11 118.68 120.18 2h68 s LEU 282 Ca 0.00 -0.58 -0.17 0.00 -1.03 0.00 0.00 54.13 52.34 2h68 s LEU 282 Cb 0.00 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 2h68 s LEU 282 CO 0.00 0.11 0.45 -0.69 0.23 0.00 0.00 176.35 176.44 2h68 s VAL 283 N -1.69 5.20 -0.11 -1.59 1.01 -0.95 -2.86 120.40 119.40 2h68 s VAL 283 Ca 0.25 0.87 -0.05 0.00 0.00 0.00 0.00 61.98 63.04 2h68 s VAL 283 Cb -0.09 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2h68 s VAL 283 CO 0.15 0.31 0.10 -0.31 0.00 0.00 0.00 175.10 175.35 2h68 s TYR 284 N 0.79 3.47 -0.09 5.22 1.51 0.02 -0.51 117.35 127.75 2h68 s TYR 284 Ca 0.24 0.43 0.01 0.00 -1.01 0.00 0.00 57.07 56.74 2h68 s TYR 284 Cb -0.15 -1.90 0.02 0.00 -0.11 0.00 0.00 41.96 39.82 2h68 s TYR 284 CO 0.09 0.66 -0.11 0.42 -1.11 0.00 0.00 175.55 175.49 2h68 s ILE 285 N -0.98 1.19 0.15 2.71 1.01 -0.32 -1.53 121.20 123.44 2h68 s ILE 285 Ca 0.14 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.43 2h68 s ILE 285 Cb -0.12 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 2h68 s ILE 285 CO 0.03 0.38 -0.12 0.26 0.00 0.00 0.00 174.94 175.49 2h68 s TRP 286 N 1.12 2.61 -0.03 3.97 0.51 -0.10 -0.04 118.94 126.98 2h68 s TRP 286 Ca -0.05 -0.23 -0.30 0.00 -2.12 0.00 0.00 56.10 53.40 2h68 s TRP 286 Cb -0.14 -1.32 -0.05 0.00 -0.81 0.00 0.00 33.47 31.15 2h68 s TRP 286 CO -0.02 0.47 1.40 1.21 -0.51 0.00 0.00 176.95 179.50 2h68 s ASN 287 N -2.55 6.85 0.18 2.95 3.84 -0.06 -0.99 114.94 125.17 2h68 s ASN 287 Ca 0.22 2.06 -0.13 0.00 0.21 0.00 0.00 52.86 55.23 2h68 s ASN 287 Cb -0.10 -2.56 0.09 0.00 -0.55 0.00 0.00 41.25 38.14 2h68 s ASN 287 CO 0.13 -0.74 1.84 0.25 -2.79 0.00 0.00 177.10 175.79 2h68 h LEU 288 N 8.68 0.69 0.00 3.21 6.46 -1.68 0.43 115.31 133.10 2h68 h LEU 288 Ca -0.37 -0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.29 2h68 h LEU 288 Cb 1.17 -0.17 0.01 0.00 -0.73 0.00 0.00 40.66 40.93 2h68 h LEU 288 CO 0.91 0.52 -0.28 1.56 -0.62 0.00 0.00 178.44 180.53 2h68 h GLN 289 N 0.80 0.18 0.00 1.25 1.08 -1.92 -3.36 115.11 113.15 2h68 h GLN 289 Ca 0.21 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2h68 h GLN 289 Cb -0.06 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 2h68 h GLN 289 CO -0.04 0.94 -0.66 1.79 -0.95 0.00 0.00 178.83 179.91 2h68 h THR 290 N -0.49 0.00 0.00 -0.54 1.35 -1.96 -3.48 112.91 107.80 2h68 h THR 290 Ca -0.04 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 2h68 h THR 290 Cb 1.04 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2h68 h THR 290 CO 0.05 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.61 2h68 n LYS 291 N -2.70 -0.41 -2.70 4.72 5.02 0.14 -5.01 118.16 117.22 2h68 n LYS 291 Ca 0.02 0.10 -0.38 0.00 -2.02 0.00 0.00 58.31 56.03 2h68 n LYS 291 Cb 0.53 -3.55 -0.06 0.00 -0.02 0.00 0.00 35.03 31.93 2h68 n LYS 291 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2h68 s GLU 292 N -0.60 4.54 0.00 1.97 -1.05 -1.26 -4.75 118.70 117.56 2h68 s GLU 292 Ca 0.00 1.44 -0.30 0.00 -0.15 0.00 0.00 54.97 55.95 2h68 s GLU 292 Cb 0.00 -2.85 -0.06 0.00 -0.44 0.00 0.00 34.13 30.78 2h68 s GLU 292 CO 0.00 0.22 1.50 0.42 0.95 0.00 0.00 175.26 178.34 2h68 s ILE 293 N -1.52 3.54 -0.06 1.83 1.01 -1.26 -0.88 121.20 123.86 2h68 s ILE 293 Ca 0.50 0.90 0.13 0.00 0.00 0.00 0.00 60.65 62.18 2h68 s ILE 293 Cb -0.22 -3.58 -0.20 0.00 0.01 0.00 0.00 42.46 38.48 2h68 s ILE 293 CO 0.27 -0.02 0.21 1.33 0.00 0.00 0.00 174.94 176.73 2h68 n VAL 294 N 4.82 0.34 -3.63 2.92 0.24 0.94 -4.92 118.33 119.04 2h68 n VAL 294 Ca 0.14 -0.41 -0.15 0.00 -2.04 0.00 0.00 64.34 61.88 2h68 n VAL 294 Cb 0.43 -0.14 -0.07 0.00 -1.47 0.00 0.00 33.84 32.58 2h68 n VAL 294 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2h68 s GLN 295 N -2.72 0.84 -0.12 7.34 0.74 -1.11 -4.71 119.66 119.93 2h68 s GLN 295 Ca -0.06 0.24 0.01 0.00 0.05 0.00 0.00 55.36 55.61 2h68 s GLN 295 Cb 0.07 0.39 0.02 0.00 1.10 0.00 0.00 33.01 34.59 2h68 s GLN 295 CO 0.56 -0.23 -0.14 0.15 -0.55 0.00 0.00 175.29 175.09 2h68 s LYS 296 N -0.88 2.11 -0.28 1.67 1.02 -1.26 -1.17 119.74 120.95 2h68 s LYS 296 Ca -0.09 -0.50 -0.15 0.00 0.02 0.00 0.00 55.97 55.25 2h68 s LYS 296 Cb -0.03 -1.89 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 2h68 s LYS 296 CO 0.06 -0.15 0.37 -0.51 -0.92 0.00 0.00 175.35 174.20 2h68 s LEU 297 N 1.25 4.07 -0.11 3.17 1.43 0.34 -4.91 118.68 123.92 2h68 s LEU 297 Ca -0.01 0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 2h68 s LEU 297 Cb -0.14 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2h68 s LEU 297 CO -0.05 -0.20 0.10 -1.58 0.23 0.00 0.00 176.35 174.85 2h68 s GLN 298 N 2.07 3.30 0.00 1.70 0.74 -1.26 -2.24 119.66 123.96 2h68 s GLN 298 Ca 0.15 -0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.34 2h68 s GLN 298 Cb -0.16 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 30.88 2h68 s GLN 298 CO 0.10 0.75 0.00 0.41 -0.55 0.00 0.00 175.29 176.01 2h68 n GLY 299 N 1.98 1.50 3.76 2.59 0.00 -1.26 -5.03 105.19 108.74 2h68 n GLY 299 Ca -0.19 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 2h68 n GLY 299 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2h68 s HIS 300 N 0.00 2.54 -0.19 1.61 3.76 -1.26 -4.97 115.29 116.79 2h68 s HIS 300 Ca 0.00 1.56 0.14 0.00 -0.15 0.00 0.00 55.06 56.61 2h68 s HIS 300 Cb 0.00 -3.19 0.30 0.00 1.11 0.00 0.00 32.58 30.80 2h68 s HIS 300 CO 0.00 -1.81 1.20 0.25 -0.85 0.00 0.00 174.74 173.53 2h68 n THR 301 N -2.59 1.75 -3.88 1.30 -2.24 -1.26 -4.90 114.28 102.45 2h68 n THR 301 Ca 0.11 -1.83 -0.09 0.00 -2.27 0.00 0.00 64.05 59.96 2h68 n THR 301 Cb 0.52 -0.04 -0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2h68 n THR 301 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2h68 s ASP 302 N -2.14 0.07 0.10 3.42 -1.08 -1.26 -4.60 116.67 111.17 2h68 s ASP 302 Ca 0.28 -1.04 -0.36 0.00 -0.52 0.00 0.00 52.55 50.90 2h68 s ASP 302 Cb 0.23 0.77 -0.17 0.00 -1.46 0.00 0.00 42.92 42.29 2h68 s ASP 302 CO 0.05 -1.49 1.30 0.52 0.52 0.00 0.00 175.17 176.06 2h68 n VAL 303 N -0.50 0.15 -2.89 1.11 0.31 -1.26 -4.26 118.33 110.98 2h68 n VAL 303 Ca -0.05 -0.04 -0.43 0.00 -0.01 0.00 0.00 64.34 63.81 2h68 n VAL 303 Cb 0.60 -0.78 -0.04 0.00 -0.91 0.00 0.00 33.84 32.71 2h68 n VAL 303 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2h68 s VAL 304 N 0.35 4.41 -0.17 2.52 1.01 -0.59 -1.76 120.40 126.16 2h68 s VAL 304 Ca 0.83 -0.27 0.17 0.00 0.00 0.00 0.00 61.98 62.71 2h68 s VAL 304 Cb -0.95 -4.61 -0.01 0.00 0.00 0.00 0.00 36.38 30.80 2h68 s VAL 304 CO 0.48 -1.32 1.13 -0.29 0.00 0.00 0.00 175.10 175.11 2h68 h ILE 305 N 5.97 0.53 -2.94 2.22 6.09 -1.33 -2.37 117.51 125.68 2h68 h ILE 305 Ca -0.28 -1.87 -0.14 0.00 -1.37 0.00 0.00 64.86 61.19 2h68 h ILE 305 Cb 1.07 2.10 -0.25 0.00 0.47 0.00 0.00 36.82 40.22 2h68 h ILE 305 CO 1.14 0.30 -0.33 -0.55 -3.07 0.00 0.00 178.15 175.64 2h68 s SER 306 N -6.00 -0.34 0.11 2.19 0.15 -1.18 -2.24 113.70 106.39 2h68 s SER 306 Ca 0.01 0.65 0.05 0.00 0.70 0.00 0.00 55.95 57.36 2h68 s SER 306 Cb 0.08 0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 65.02 2h68 s SER 306 CO 0.78 -0.12 -0.12 0.42 1.20 0.00 0.00 173.24 175.39 2h68 s THR 307 N 0.14 1.11 -0.00 6.45 -4.23 -1.26 -0.98 115.64 116.87 2h68 s THR 307 Ca -0.00 -1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 58.80 2h68 s THR 307 Cb -0.02 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.41 2h68 s THR 307 CO 0.01 -0.48 0.12 0.00 -0.54 0.00 0.00 174.62 173.72 2h68 s ALA 308 N -2.24 -0.28 -0.12 3.99 0.00 0.41 -4.73 121.76 118.79 2h68 s ALA 308 Ca 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.90 2h68 s ALA 308 Cb -0.04 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 2h68 s ALA 308 CO 0.01 -0.19 -0.17 0.00 0.00 0.00 0.00 175.76 175.42 2h68 s HIS 310 N 0.30 2.59 0.35 0.00 2.46 0.02 -4.85 115.29 116.16 2h68 s HIS 310 Ca -0.12 1.24 0.30 0.00 0.47 0.00 0.00 55.06 56.94 2h68 s HIS 310 Cb -0.16 -3.94 1.46 0.00 -0.13 0.00 0.00 32.58 29.81 2h68 s HIS 310 CO 0.06 -2.83 2.05 -1.00 -2.47 0.00 0.00 174.74 170.56 2h68 h PRO 311 N 2.76 0.00 0.00 2.88 0.13 -1.89 -3.37 132.00 132.51 2h68 h PRO 311 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2h68 h PRO 311 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2h68 h PRO 311 CO 0.63 0.10 -0.51 0.25 -0.23 0.00 0.00 178.00 178.24 2h68 n THR 312 N -3.45 0.00 -4.04 1.56 -2.24 -1.26 -4.88 114.28 99.96 2h68 n THR 312 Ca -0.01 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.52 2h68 n THR 312 Cb 0.26 -0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.12 2h68 n THR 312 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2h68 s GLU 313 N -1.40 3.09 -1.36 -0.78 0.41 -1.26 -4.90 118.70 112.50 2h68 s GLU 313 Ca 0.00 -0.82 -0.16 0.00 -0.41 0.00 0.00 54.97 53.58 2h68 s GLU 313 Cb 0.00 -2.73 0.03 0.00 -1.78 0.00 0.00 34.13 29.65 2h68 s GLU 313 CO 0.00 0.47 2.04 0.09 -0.49 0.00 0.00 175.26 177.37 2h68 n ASN 314 N -0.64 4.12 -4.04 -0.19 3.02 -1.26 -4.32 115.26 111.95 2h68 n ASN 314 Ca -0.08 -2.85 -0.23 0.00 -0.03 0.00 0.00 54.58 51.39 2h68 n ASN 314 Cb 0.55 -1.66 -0.16 0.00 -0.61 0.00 0.00 39.78 37.90 2h68 n ASN 314 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2h68 s ILE 315 N 3.90 1.01 -0.05 2.41 1.01 -1.26 -1.26 121.20 126.97 2h68 s ILE 315 Ca 0.51 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.75 2h68 s ILE 315 Cb 0.10 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 2h68 s ILE 315 CO -0.01 0.31 -0.23 -0.63 0.00 0.00 0.00 174.94 174.37 2h68 s ILE 316 N 0.24 2.23 -0.09 2.92 1.01 -0.57 -0.80 121.20 126.15 2h68 s ILE 316 Ca -0.05 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.55 2h68 s ILE 316 Cb -0.11 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 2h68 s ILE 316 CO 0.01 0.57 0.04 0.00 0.00 0.00 0.00 174.94 175.57 2h68 s ALA 317 N -0.36 3.44 0.07 9.38 0.00 0.09 -0.88 121.76 133.50 2h68 s ALA 317 Ca 0.02 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.26 2h68 s ALA 317 Cb -0.12 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 2h68 s ALA 317 CO 0.02 0.60 -0.14 -1.54 0.00 0.00 0.00 175.76 174.70 2h68 s SER 318 N -0.97 1.66 0.03 0.00 1.04 -0.13 -0.45 113.70 114.88 2h68 s SER 318 Ca 0.14 -0.63 -0.01 0.00 0.48 0.00 0.00 55.95 55.93 2h68 s SER 318 Cb -0.12 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 2h68 s SER 318 CO 0.03 -0.09 -0.02 0.00 0.98 0.00 0.00 173.24 174.15 2h68 s ALA 319 N -1.37 0.21 0.23 5.32 0.00 -0.15 -0.51 121.76 125.49 2h68 s ALA 319 Ca -0.01 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.23 2h68 s ALA 319 Cb -0.09 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 2h68 s ALA 319 CO 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 175.76 175.53 2h68 s ALA 320 N -2.24 1.85 1.00 0.00 0.00 -1.03 -0.94 121.76 120.41 2h68 s ALA 320 Ca -0.09 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.12 2h68 s ALA 320 Cb -0.04 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.48 2h68 s ALA 320 CO -0.04 -0.21 0.00 1.28 0.00 0.00 0.00 175.76 176.80 2h68 n LEU 321 N -0.42 0.00 0.20 0.00 4.77 -0.72 -2.11 117.00 118.72 2h68 n LEU 321 Ca -0.06 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.05 2h68 n LEU 321 Cb 0.63 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.44 2h68 n LEU 321 CO 0.37 -0.73 1.11 -0.33 -1.33 0.00 0.00 177.39 176.48 2h68 h GLU 322 N 0.00 0.00 0.00 3.23 3.07 -1.92 0.15 114.58 119.11 2h68 h GLU 322 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2h68 h GLU 322 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2h68 h GLU 322 CO 0.00 0.00 0.00 -0.97 -1.40 0.00 0.00 179.01 176.64 2h68 h ASN 323 N 0.00 0.00 0.00 1.42 -0.73 -1.92 -3.39 115.58 110.96 2h68 h ASN 323 Ca 0.07 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.24 2h68 h ASN 323 Cb 0.30 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.89 2h68 h ASN 323 CO -0.00 0.00 -0.07 -0.67 -0.37 0.00 0.00 177.43 176.32 2h68 n ASP 324 N -2.54 0.69 -0.35 1.15 -0.08 -0.36 -4.89 116.55 110.19 2h68 n ASP 324 Ca 0.02 0.09 -0.05 0.00 -1.51 0.00 0.00 54.79 53.35 2h68 n ASP 324 Cb 0.29 -0.25 -0.02 0.00 2.34 0.00 0.00 41.12 43.48 2h68 n ASP 324 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2h68 n LYS 325 N -3.13 -1.16 -4.08 -0.67 5.02 0.38 -4.99 118.16 109.53 2h68 n LYS 325 Ca -0.01 0.54 -0.23 0.00 -2.02 0.00 0.00 58.31 56.59 2h68 n LYS 325 Cb 0.04 -4.53 -0.06 0.00 -0.02 0.00 0.00 35.03 30.46 2h68 n LYS 325 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2h68 s THR 326 N -1.75 3.19 -0.06 -0.18 -4.23 -1.26 -4.34 115.64 107.01 2h68 s THR 326 Ca 0.00 -1.66 0.02 0.00 -1.18 0.00 0.00 61.69 58.87 2h68 s THR 326 Cb 0.00 -3.01 -0.03 0.00 1.34 0.00 0.00 72.50 70.80 2h68 s THR 326 CO 0.00 -0.21 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.14 2h68 s ILE 327 N -2.39 3.36 0.03 2.99 1.01 -0.85 -2.46 121.20 122.88 2h68 s ILE 327 Ca 0.37 -0.61 0.09 0.00 0.00 0.00 0.00 60.65 60.50 2h68 s ILE 327 Cb -0.04 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 2h68 s ILE 327 CO 0.23 0.59 -0.25 -0.54 0.00 0.00 0.00 174.94 174.97 2h68 s LYS 328 N -0.73 1.80 -0.13 2.79 1.02 0.34 0.27 119.74 125.09 2h68 s LYS 328 Ca 0.11 -1.03 -0.01 0.00 0.02 0.00 0.00 55.97 55.07 2h68 s LYS 328 Cb -0.11 -1.91 -0.02 0.00 -0.52 0.00 0.00 37.83 35.28 2h68 s LYS 328 CO 0.01 0.50 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.33 2h68 s LEU 329 N -1.05 2.87 0.07 3.17 1.43 -0.38 -0.96 118.68 123.83 2h68 s LEU 329 Ca 0.11 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.01 2h68 s LEU 329 Cb -0.10 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 2h68 s LEU 329 CO 0.01 0.18 -0.20 0.26 0.23 0.00 0.00 176.35 176.83 2h68 s TRP 330 N 0.29 1.70 -0.02 0.29 0.52 -0.06 -0.44 118.94 121.22 2h68 s TRP 330 Ca -0.08 -0.39 0.03 0.00 0.02 0.00 0.00 56.10 55.68 2h68 s TRP 330 Cb -0.15 -0.98 -0.00 0.00 -1.15 0.00 0.00 33.47 31.19 2h68 s TRP 330 CO 0.05 0.12 -0.09 0.21 0.02 0.00 0.00 176.95 177.26 2h68 s LYS 331 N -1.47 0.87 0.16 4.98 2.47 -0.49 -1.52 119.74 124.75 2h68 s LYS 331 Ca 0.06 -0.33 0.07 0.00 -1.56 0.00 0.00 55.97 54.21 2h68 s LYS 331 Cb -0.09 -0.83 -0.04 0.00 -1.46 0.00 0.00 37.83 35.40 2h68 s LYS 331 CO 0.03 0.16 -0.14 0.45 0.16 0.00 0.00 175.35 176.01 2h68 s SER 332 N -0.03 2.24 0.46 1.43 0.15 -0.39 -1.20 113.70 116.36 2h68 s SER 332 Ca 0.00 -0.91 0.25 0.00 0.70 0.00 0.00 55.95 55.99 2h68 s SER 332 Cb -0.06 -0.09 0.52 0.00 -1.71 0.00 0.00 66.02 64.67 2h68 s SER 332 CO 0.00 -0.17 1.67 0.44 1.20 0.00 0.00 173.24 176.39 2h68 h ASP 333 N 3.07 0.00 0.00 5.45 3.32 -1.88 -3.42 116.42 122.97 2h68 h ASP 333 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2h68 h ASP 333 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2h68 h ASP 333 CO 0.56 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 178.09