#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hr6 s PRO 24 N 0.00 2.29 0.34 6.28 0.04 -1.26 -5.16 135.00 137.53 1hr6 s PRO 24 Ca 0.00 -0.94 -0.01 0.00 0.04 0.00 0.00 61.00 60.10 1hr6 s PRO 24 Cb 0.00 -2.39 -0.00 0.00 0.04 0.00 0.00 34.50 32.15 1hr6 s PRO 24 CO 0.00 0.53 0.44 0.20 0.04 0.00 0.00 177.00 178.21 1hr6 s GLY 25 N -2.10 1.64 -0.32 0.56 0.00 -1.26 -5.04 107.32 100.80 1hr6 s GLY 25 Ca 0.22 -1.62 -0.10 0.00 0.00 0.00 0.00 44.72 43.22 1hr6 s GLY 25 CO 0.14 -1.08 0.16 -1.59 0.00 0.00 0.00 173.10 170.73 1hr6 s THR 26 N -3.11 4.67 0.14 0.90 2.01 -1.26 -4.52 115.64 114.46 1hr6 s THR 26 Ca 0.32 -0.43 -0.28 0.00 0.31 0.00 0.00 61.69 61.62 1hr6 s THR 26 Cb 0.00 -3.40 -0.07 0.00 0.01 0.00 0.00 72.50 69.04 1hr6 s THR 26 CO 0.22 0.04 0.88 -0.13 -0.69 0.00 0.00 174.62 174.93 1hr6 s ARG 27 N 1.62 4.67 0.04 4.92 1.81 -0.08 -4.85 118.95 127.07 1hr6 s ARG 27 Ca 0.05 1.32 0.06 0.00 -1.72 0.00 0.00 55.73 55.44 1hr6 s ARG 27 Cb -0.17 -3.33 -0.02 0.00 -0.45 0.00 0.00 34.95 30.98 1hr6 s ARG 27 CO 0.07 0.37 -0.17 0.99 -0.68 0.00 0.00 175.30 175.87 1hr6 s THR 28 N -0.50 1.35 -0.05 0.02 2.01 -1.26 -1.13 115.64 116.09 1hr6 s THR 28 Ca 0.42 -1.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.25 1hr6 s THR 28 Cb -0.23 -1.19 0.02 0.00 0.01 0.00 0.00 72.50 71.11 1hr6 s THR 28 CO 0.28 0.12 0.29 -0.44 -0.69 0.00 0.00 174.62 174.18 1hr6 s SER 29 N -1.07 -0.21 0.04 3.53 0.01 -0.37 -4.99 113.70 110.63 1hr6 s SER 29 Ca 0.04 0.23 0.06 0.00 1.31 0.00 0.00 55.95 57.60 1hr6 s SER 29 Cb -0.08 0.41 -0.03 0.00 0.21 0.00 0.00 66.02 66.52 1hr6 s SER 29 CO 0.01 -0.32 -0.14 -0.54 0.41 0.00 0.00 173.24 172.67 1hr6 s LYS 30 N -0.81 2.20 0.30 12.44 1.02 -1.26 0.62 119.74 134.25 1hr6 s LYS 30 Ca -0.09 -0.92 0.02 0.00 0.02 0.00 0.00 55.97 55.00 1hr6 s LYS 30 Cb -0.04 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 1hr6 s LYS 30 CO 0.03 0.55 0.47 -1.17 -0.92 0.00 0.00 175.35 174.31 1hr6 s LEU 31 N -1.54 4.13 0.32 3.17 2.96 0.12 -4.98 118.68 122.87 1hr6 s LEU 31 Ca 0.16 0.30 0.05 0.00 -0.22 0.00 0.00 54.13 54.43 1hr6 s LEU 31 Cb -0.11 -3.14 0.69 0.00 0.50 0.00 0.00 46.19 44.14 1hr6 s LEU 31 CO 0.07 -0.20 1.87 1.55 -1.32 0.00 0.00 176.35 178.31 1hr6 h PRO 32 N 0.94 0.81 0.00 0.98 0.13 -1.98 -0.41 132.00 132.48 1hr6 h PRO 32 Ca -0.51 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1hr6 h PRO 32 Cb 1.22 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1hr6 h PRO 32 CO 0.61 0.54 0.00 0.27 -0.23 0.00 0.00 178.00 179.19 1hr6 n ASN 33 N -4.57 0.00 0.00 1.44 0.23 -1.26 -4.87 115.26 106.23 1hr6 n ASN 33 Ca 0.17 -1.13 0.00 0.00 -0.53 0.00 0.00 54.58 53.09 1hr6 n ASN 33 Cb 0.39 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 1hr6 n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hr6 n GLY 34 N 0.57 3.13 3.68 4.83 0.00 -0.16 -2.61 105.19 114.63 1hr6 n GLY 34 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 1hr6 n GLY 34 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1hr6 n LEU 35 N 0.00 3.23 -4.85 0.99 7.94 0.05 -3.94 117.00 120.42 1hr6 n LEU 35 Ca 0.00 1.08 -0.37 0.00 -1.11 0.00 0.00 56.01 55.61 1hr6 n LEU 35 Cb 0.00 -1.45 -0.06 0.00 0.53 0.00 0.00 43.42 42.44 1hr6 n LEU 35 CO 0.00 -0.22 -0.05 -0.89 -1.11 0.00 0.00 177.39 175.12 1hr6 s THR 36 N 0.92 5.31 -0.27 1.96 2.01 -0.93 0.13 115.64 124.76 1hr6 s THR 36 Ca 0.78 0.48 0.00 0.00 0.31 0.00 0.00 61.69 63.26 1hr6 s THR 36 Cb -0.65 -3.54 0.05 0.00 0.01 0.00 0.00 72.50 68.37 1hr6 s THR 36 CO 0.37 0.59 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.20 1hr6 s ILE 37 N -0.94 2.63 -0.10 1.82 -1.09 0.20 -0.22 121.20 123.50 1hr6 s ILE 37 Ca 0.18 -1.41 0.02 0.00 -2.23 0.00 0.00 60.65 57.21 1hr6 s ILE 37 Cb -0.14 -2.48 -0.02 0.00 -1.58 0.00 0.00 42.46 38.24 1hr6 s ILE 37 CO 0.08 -0.01 -0.16 0.00 -1.23 0.00 0.00 174.94 173.62 1hr6 s ALA 38 N 1.21 2.54 -0.01 9.38 0.00 -0.74 -1.24 121.76 132.90 1hr6 s ALA 38 Ca -0.05 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 1hr6 s ALA 38 Cb -0.19 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1hr6 s ALA 38 CO -0.03 0.34 0.10 0.99 0.00 0.00 0.00 175.76 177.16 1hr6 s THR 39 N 0.04 0.05 -0.12 0.00 2.01 -0.28 -1.27 115.64 116.06 1hr6 s THR 39 Ca -0.06 -0.43 -0.03 0.00 0.31 0.00 0.00 61.69 61.48 1hr6 s THR 39 Cb -0.15 -0.28 0.05 0.00 0.01 0.00 0.00 72.50 72.12 1hr6 s THR 39 CO 0.05 -0.24 0.05 -0.70 -0.69 0.00 0.00 174.62 173.09 1hr6 s GLU 40 N -0.77 0.29 0.19 4.92 2.12 -0.75 -0.90 118.70 123.79 1hr6 s GLU 40 Ca -0.09 -0.01 -0.30 0.00 0.36 0.00 0.00 54.97 54.93 1hr6 s GLU 40 Cb -0.05 -1.40 -0.08 0.00 0.26 0.00 0.00 34.13 32.86 1hr6 s GLU 40 CO 0.00 -0.50 1.08 -0.47 -0.54 0.00 0.00 175.26 174.83 1hr6 s TYR 41 N 2.05 3.64 -0.27 5.30 5.04 -1.26 -2.23 117.35 129.62 1hr6 s TYR 41 Ca 0.03 1.65 -0.01 0.00 -2.44 0.00 0.00 57.07 56.30 1hr6 s TYR 41 Cb -0.14 -3.24 0.04 0.00 0.35 0.00 0.00 41.96 38.97 1hr6 s TYR 41 CO -0.07 -0.46 -0.05 0.42 -1.34 0.00 0.00 175.55 174.06 1hr6 s ILE 42 N -0.42 2.83 0.73 3.14 -1.09 -0.72 -4.81 121.20 120.86 1hr6 s ILE 42 Ca 0.48 -1.22 -0.15 0.00 -2.23 0.00 0.00 60.65 57.52 1hr6 s ILE 42 Cb -0.29 -2.53 0.04 0.00 -1.58 0.00 0.00 42.46 38.10 1hr6 s ILE 42 CO 0.35 0.07 1.23 -2.84 -1.23 0.00 0.00 174.94 172.52 1hr6 s PRO 43 N 1.27 2.12 -1.24 2.79 0.02 -1.26 -3.76 135.00 134.94 1hr6 s PRO 43 Ca -0.03 1.83 -0.01 0.00 0.02 0.00 0.00 61.00 62.82 1hr6 s PRO 43 Cb -0.18 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1hr6 s PRO 43 CO -0.03 -1.87 0.94 0.09 -0.33 0.00 0.00 177.00 175.80 1hr6 n ASN 44 N -2.65 -2.17 -3.99 2.53 5.03 -1.26 -5.02 115.26 107.72 1hr6 n ASN 44 Ca 0.14 -0.66 -0.08 0.00 0.87 0.00 0.00 54.58 54.84 1hr6 n ASN 44 Cb 0.50 -4.85 -0.10 0.00 -1.02 0.00 0.00 39.78 34.31 1hr6 n ASN 44 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1hr6 s THR 45 N -3.43 0.16 -0.02 3.41 -4.23 -1.25 -5.04 115.64 105.24 1hr6 s THR 45 Ca 0.05 -1.29 0.03 0.00 -1.18 0.00 0.00 61.69 59.30 1hr6 s THR 45 Cb -0.02 -0.95 0.05 0.00 1.34 0.00 0.00 72.50 72.91 1hr6 s THR 45 CO 0.75 -0.71 0.87 -1.20 -0.54 0.00 0.00 174.62 173.79 1hr6 n SER 46 N 0.74 1.21 -3.92 3.99 7.64 -1.26 -4.53 113.62 117.49 1hr6 n SER 46 Ca -0.18 -1.87 -0.17 0.00 1.01 0.00 0.00 58.87 57.65 1hr6 n SER 46 Cb 0.59 -0.09 -0.09 0.00 -1.01 0.00 0.00 64.21 63.60 1hr6 n SER 46 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1hr6 s SER 47 N -1.00 1.25 0.22 6.43 1.04 -1.26 -0.69 113.70 119.69 1hr6 s SER 47 Ca 0.05 -1.56 -0.19 0.00 0.48 0.00 0.00 55.95 54.73 1hr6 s SER 47 Cb 0.05 0.41 0.07 0.00 0.10 0.00 0.00 66.02 66.65 1hr6 s SER 47 CO 0.00 -0.91 0.94 0.00 0.98 0.00 0.00 173.24 174.26 1hr6 n ALA 48 N -0.52 -2.41 -3.41 5.32 0.00 -0.78 -0.79 120.51 117.93 1hr6 n ALA 48 Ca 0.02 -1.03 -0.17 0.00 0.00 0.00 0.00 53.44 52.26 1hr6 n ALA 48 Cb 0.65 0.63 -0.16 0.00 0.00 0.00 0.00 19.45 20.57 1hr6 n ALA 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1hr6 s THR 49 N -2.09 0.31 -0.06 0.00 2.01 -0.75 -2.18 115.64 112.89 1hr6 s THR 49 Ca 0.21 -0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.19 1hr6 s THR 49 Cb -0.03 -0.35 0.01 0.00 0.01 0.00 0.00 72.50 72.14 1hr6 s THR 49 CO 0.07 0.15 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.32 1hr6 s VAL 50 N 0.65 1.22 0.01 3.82 1.01 -0.45 -2.15 120.40 124.51 1hr6 s VAL 50 Ca -0.07 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1hr6 s VAL 50 Cb -0.10 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1hr6 s VAL 50 CO -0.01 0.37 -0.02 -0.83 0.00 0.00 0.00 175.10 174.62 1hr6 s GLY 51 N 0.42 0.12 -0.27 4.51 0.00 0.43 -0.37 107.32 112.16 1hr6 s GLY 51 Ca -0.11 -0.27 -0.06 0.00 0.00 0.00 0.00 44.72 44.28 1hr6 s GLY 51 CO 0.03 -0.30 0.06 -1.50 0.00 0.00 0.00 173.10 171.39 1hr6 s ILE 52 N -0.65 3.96 -0.15 0.90 1.10 0.61 -0.39 121.20 126.58 1hr6 s ILE 52 Ca -0.07 -0.54 -0.04 0.00 -0.51 0.00 0.00 60.65 59.49 1hr6 s ILE 52 Cb -0.04 -2.96 -0.03 0.00 0.15 0.00 0.00 42.46 39.57 1hr6 s ILE 52 CO -0.00 0.19 -0.01 -0.36 -2.11 0.00 0.00 174.94 172.64 1hr6 s PHE 53 N 1.52 3.08 -0.09 3.50 0.40 0.60 -1.83 117.98 125.17 1hr6 s PHE 53 Ca 0.04 -0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.23 1hr6 s PHE 53 Cb -0.16 -1.96 0.01 0.00 0.51 0.00 0.00 43.02 41.41 1hr6 s PHE 53 CO 0.02 0.06 -0.18 0.08 0.70 0.00 0.00 175.22 175.90 1hr6 s VAL 54 N 0.21 1.63 -0.50 -0.44 1.01 0.34 -0.15 120.40 122.51 1hr6 s VAL 54 Ca -0.01 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 60.94 1hr6 s VAL 54 Cb -0.13 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1hr6 s VAL 54 CO 0.02 0.47 1.95 -0.62 0.00 0.00 0.00 175.10 176.92 1hr6 s ASP 55 N 0.58 5.30 0.00 3.32 -1.08 0.93 -1.61 116.67 124.11 1hr6 s ASP 55 Ca -0.15 0.77 0.00 0.00 -0.52 0.00 0.00 52.55 52.65 1hr6 s ASP 55 Cb -0.17 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 1hr6 s ASP 55 CO 0.05 -2.27 0.00 0.00 0.52 0.00 0.00 175.17 173.47 1hr6 n ALA 56 N 12.59 0.00 -0.88 3.66 0.00 -0.65 -4.94 120.51 130.29 1hr6 n ALA 56 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1hr6 n ALA 56 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1hr6 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hr6 n GLY 57 N 0.00 -0.60 0.26 0.00 0.00 -1.25 -3.44 105.19 100.17 1hr6 n GLY 57 Ca 0.00 -0.87 0.13 0.00 0.00 0.00 0.00 46.02 45.28 1hr6 n GLY 57 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1hr6 h SER 58 N 0.00 0.00 0.40 1.61 4.64 -1.45 -2.67 113.55 116.07 1hr6 h SER 58 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hr6 h SER 58 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1hr6 h SER 58 CO 0.00 0.12 0.00 -2.11 -0.87 0.00 0.00 176.83 173.97 1hr6 n ARG 59 N -3.60 0.01 0.00 4.77 1.85 -0.19 -1.49 116.66 118.02 1hr6 n ARG 59 Ca -0.02 0.29 0.13 0.00 -1.00 0.00 0.00 57.85 57.24 1hr6 n ARG 59 Cb 0.24 -1.50 0.30 0.00 -1.05 0.00 0.00 32.46 30.45 1hr6 n ARG 59 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1hr6 n ALA 60 N -1.48 3.24 -1.97 2.89 0.00 -1.01 -4.80 120.51 117.37 1hr6 n ALA 60 Ca 0.03 -0.44 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 1hr6 n ALA 60 Cb 0.14 -1.07 0.05 0.00 0.00 0.00 0.00 19.45 18.56 1hr6 n ALA 60 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1hr6 s GLU 61 N -2.56 2.43 0.44 0.00 2.02 -0.55 -5.09 118.70 115.39 1hr6 s GLU 61 Ca 0.22 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.46 1hr6 s GLU 61 Cb 0.19 -2.45 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 1hr6 s GLU 61 CO 0.55 -0.82 0.06 0.54 0.02 0.00 0.00 175.26 175.61 1hr6 s ASN 62 N -4.46 3.34 0.31 -0.19 2.20 -1.26 -4.85 114.94 110.03 1hr6 s ASN 62 Ca 0.58 -1.60 0.09 0.00 -0.94 0.00 0.00 52.86 50.99 1hr6 s ASN 62 Cb -0.10 0.35 0.85 0.00 -2.00 0.00 0.00 41.25 40.36 1hr6 s ASN 62 CO 0.39 -0.82 1.73 0.58 -2.94 0.00 0.00 177.10 176.05 1hr6 h VAL 63 N 1.66 0.55 0.00 3.54 2.07 -1.99 1.01 116.25 123.10 1hr6 h VAL 63 Ca -0.40 -0.20 -0.13 0.00 0.82 0.00 0.00 66.70 66.79 1hr6 h VAL 63 Cb 1.28 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1hr6 h VAL 63 CO 0.67 0.11 -1.11 0.11 0.02 0.00 0.00 177.57 177.37 1hr6 h LYS 64 N 0.59 0.00 0.07 1.57 1.79 -2.04 -3.34 116.57 115.21 1hr6 h LYS 64 Ca 0.63 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.84 1hr6 h LYS 64 Cb 1.17 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.83 1hr6 h LYS 64 CO -0.47 0.30 -1.10 -0.97 -1.08 0.00 0.00 179.45 176.13 1hr6 h ASN 65 N 0.00 0.59 -0.37 0.86 -1.24 -1.41 -3.47 115.58 110.54 1hr6 h ASN 65 Ca -0.10 -0.53 -0.44 0.00 0.71 0.00 0.00 56.30 55.94 1hr6 h ASN 65 Cb 1.45 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 40.31 1hr6 h ASN 65 CO 0.04 1.36 0.45 -3.20 -1.29 0.00 0.00 177.43 174.80 1hr6 n ASN 66 N -3.70 0.56 0.00 1.15 4.05 0.33 -2.35 115.26 115.30 1hr6 n ASN 66 Ca -0.09 0.54 0.00 0.00 0.45 0.00 0.00 54.58 55.48 1hr6 n ASN 66 Cb 0.93 -0.46 0.00 0.00 1.23 0.00 0.00 39.78 41.48 1hr6 n ASN 66 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1hr6 n GLY 67 N 2.61 0.70 0.08 8.20 0.00 -1.26 -4.49 105.19 111.02 1hr6 n GLY 67 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 1hr6 n GLY 67 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1hr6 h THR 68 N 0.00 1.11 -0.65 2.61 2.02 -1.76 -2.36 112.91 113.88 1hr6 h THR 68 Ca 0.00 -0.31 0.12 0.00 0.77 0.00 0.00 66.41 66.99 1hr6 h THR 68 Cb 0.00 1.14 -0.09 0.00 -1.74 0.00 0.00 68.15 67.46 1hr6 h THR 68 CO 0.00 0.10 0.19 0.00 0.37 0.00 0.00 175.52 176.17 1hr6 h ALA 69 N 0.93 0.83 -0.36 6.16 0.00 -1.88 0.52 119.26 125.46 1hr6 h ALA 69 Ca 0.03 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1hr6 h ALA 69 Cb 0.11 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1hr6 h ALA 69 CO -0.00 -0.27 0.14 1.25 0.00 0.00 0.00 179.25 180.36 1hr6 h HIS 70 N 0.33 0.56 -0.56 0.00 6.17 -1.74 -2.19 115.15 117.71 1hr6 h HIS 70 Ca 0.35 -0.05 0.08 0.00 0.71 0.00 0.00 60.37 61.47 1hr6 h HIS 70 Cb 0.51 -0.17 -0.07 0.00 2.52 0.00 0.00 27.41 30.21 1hr6 h HIS 70 CO -0.22 0.52 0.20 0.35 0.71 0.00 0.00 177.93 179.49 1hr6 h PHE 71 N 0.44 0.34 -0.76 5.26 3.04 -0.65 -0.69 116.94 123.93 1hr6 h PHE 71 Ca 0.12 0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.16 1hr6 h PHE 71 Cb 0.20 -0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.58 1hr6 h PHE 71 CO 0.00 0.09 0.44 -0.07 -2.02 0.00 0.00 178.31 176.75 1hr6 h LEU 72 N 0.37 0.67 -0.29 0.59 3.38 -0.66 -2.13 115.31 117.24 1hr6 h LEU 72 Ca 0.28 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.35 1hr6 h LEU 72 Cb 0.34 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1hr6 h LEU 72 CO -0.29 0.42 -0.27 -0.08 0.09 0.00 0.00 178.44 178.31 1hr6 h GLU 73 N 0.80 -0.25 -0.33 1.13 4.81 -0.50 -0.58 114.58 119.66 1hr6 h GLU 73 Ca 0.34 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1hr6 h GLU 73 Cb 0.21 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1hr6 h GLU 73 CO -0.19 -0.17 0.19 0.45 -0.73 0.00 0.00 179.01 178.56 1hr6 h HIS 74 N -0.26 0.35 0.00 0.92 3.86 -0.95 -2.85 115.15 116.22 1hr6 h HIS 74 Ca 0.15 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1hr6 h HIS 74 Cb 0.50 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1hr6 h HIS 74 CO -0.45 0.21 0.00 -0.07 0.86 0.00 0.00 177.93 178.48 1hr6 h LEU 75 N 0.39 0.00 -2.48 2.43 4.07 -0.78 -3.10 115.31 115.84 1hr6 h LEU 75 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1hr6 h LEU 75 Cb 0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1hr6 h LEU 75 CO -0.06 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.30 1hr6 h ALA 76 N 2.11 1.00 -0.10 1.53 0.00 -0.87 -1.20 119.26 121.73 1hr6 h ALA 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hr6 h ALA 76 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1hr6 h ALA 76 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 1hr6 n PHE 77 N -2.95 0.11 0.31 0.00 3.01 -1.17 -4.49 117.46 112.28 1hr6 n PHE 77 Ca -0.02 -0.07 0.12 0.00 1.01 0.00 0.00 57.45 58.49 1hr6 n PHE 77 Cb 0.11 -0.00 0.16 0.00 -0.01 0.00 0.00 39.48 39.74 1hr6 n PHE 77 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1hr6 h LYS 78 N 3.71 0.00 0.00 -1.08 1.79 -1.38 -3.42 116.57 116.19 1hr6 h LYS 78 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1hr6 h LYS 78 Cb 0.81 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1hr6 h LYS 78 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1hr6 n GLY 79 N 1.19 4.56 3.58 3.86 0.00 -1.26 -3.04 105.19 114.09 1hr6 n GLY 79 Ca 0.03 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 1hr6 n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hr6 s THR 80 N -1.53 1.27 -2.00 2.61 -4.23 0.29 -0.83 115.64 111.21 1hr6 s THR 80 Ca 0.00 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.63 1hr6 s THR 80 Cb 0.00 -2.61 0.35 0.00 1.34 0.00 0.00 72.50 71.58 1hr6 s THR 80 CO 0.00 0.00 1.16 0.00 -0.54 0.00 0.00 174.62 175.24 1hr6 n GLN 81 N -0.94 0.38 0.00 3.99 6.02 0.44 -2.72 117.38 124.55 1hr6 n GLN 81 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1hr6 n GLN 81 Cb 0.66 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.43 1hr6 n GLN 81 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1hr6 n ASN 82 N -1.00 3.37 -3.83 1.08 3.02 -1.26 -5.06 115.26 111.59 1hr6 n ASN 82 Ca 0.09 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.44 1hr6 n ASN 82 Cb 0.04 0.42 -0.17 0.00 -0.61 0.00 0.00 39.78 39.47 1hr6 n ASN 82 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1hr6 s ARG 83 N -1.59 0.63 1.01 3.52 0.52 -1.10 -5.10 118.95 116.83 1hr6 s ARG 83 Ca 0.00 0.02 -0.14 0.00 -0.52 0.00 0.00 55.73 55.09 1hr6 s ARG 83 Cb 0.00 -0.82 0.19 0.00 0.52 0.00 0.00 34.95 34.84 1hr6 s ARG 83 CO 0.00 -0.19 1.13 -1.25 0.02 0.00 0.00 175.30 175.02 1hr6 s PRO 84 N 1.38 0.32 0.07 3.54 0.04 -1.26 0.10 135.00 139.19 1hr6 s PRO 84 Ca -0.04 0.21 -0.27 0.00 0.04 0.00 0.00 61.00 60.94 1hr6 s PRO 84 Cb -0.13 -1.75 -0.12 0.00 0.04 0.00 0.00 34.50 32.53 1hr6 s PRO 84 CO -0.02 -2.74 1.42 0.37 0.04 0.00 0.00 177.00 176.07 1hr6 h GLN 85 N -1.89 -0.68 0.00 4.56 4.15 -1.80 -1.58 115.11 117.87 1hr6 h GLN 85 Ca -0.50 0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1hr6 h GLN 85 Cb 1.32 0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.16 1hr6 h GLN 85 CO 0.53 -0.45 0.03 0.94 -1.93 0.00 0.00 178.83 177.95 1hr6 n GLN 86 N -4.75 0.12 0.08 1.69 7.27 -1.26 -1.10 117.38 119.42 1hr6 n GLN 86 Ca -0.08 0.61 -0.12 0.00 0.07 0.00 0.00 57.00 57.48 1hr6 n GLN 86 Cb 0.34 -1.92 -0.13 0.00 2.41 0.00 0.00 30.24 30.94 1hr6 n GLN 86 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1hr6 h GLY 87 N 0.00 0.17 0.49 1.69 0.00 -1.64 -2.32 103.07 101.46 1hr6 h GLY 87 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1hr6 h GLY 87 CO 0.00 0.39 -0.11 -2.22 0.00 0.00 0.00 176.54 174.59 1hr6 h ILE 88 N 0.04 0.74 -0.00 2.60 2.04 -0.73 -2.32 117.51 119.88 1hr6 h ILE 88 Ca -0.10 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 64.88 1hr6 h ILE 88 Cb 1.90 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 39.13 1hr6 h ILE 88 CO 0.16 0.16 -0.20 -0.33 0.00 0.00 0.00 178.15 177.95 1hr6 h GLU 89 N -0.83 -0.23 -0.67 2.37 5.08 -1.54 -1.32 114.58 117.43 1hr6 h GLU 89 Ca -0.03 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.51 1hr6 h GLU 89 Cb 0.51 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1hr6 h GLU 89 CO 0.05 -0.16 0.47 1.25 -1.00 0.00 0.00 179.01 179.62 1hr6 h LEU 90 N -0.24 0.15 -0.21 1.33 7.12 -1.54 -1.10 115.31 120.80 1hr6 h LEU 90 Ca 0.00 0.01 -0.19 0.00 0.13 0.00 0.00 57.88 57.84 1hr6 h LEU 90 Cb 0.26 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.38 1hr6 h LEU 90 CO -0.13 0.07 -0.60 -0.08 -0.13 0.00 0.00 178.44 177.57 1hr6 h GLU 91 N 0.15 0.78 -0.12 1.25 4.81 -0.82 -2.43 114.58 118.21 1hr6 h GLU 91 Ca 0.32 -0.56 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1hr6 h GLU 91 Cb 1.06 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 1hr6 h GLU 91 CO -0.05 1.18 -0.02 0.82 -0.73 0.00 0.00 179.01 180.21 1hr6 h ILE 92 N 0.52 1.28 0.00 2.32 1.08 -0.30 -3.20 117.51 119.22 1hr6 h ILE 92 Ca -0.01 -0.92 -0.04 0.00 -0.39 0.00 0.00 64.86 63.50 1hr6 h ILE 92 Cb 1.22 1.66 -0.01 0.00 -3.07 0.00 0.00 36.82 36.62 1hr6 h ILE 92 CO 0.13 0.26 -0.20 -0.33 -0.69 0.00 0.00 178.15 177.32 1hr6 h GLU 93 N -0.09 0.00 0.00 2.37 5.08 -1.29 -0.92 114.58 119.73 1hr6 h GLU 93 Ca 0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1hr6 h GLU 93 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1hr6 h GLU 93 CO 0.01 0.20 -0.33 -0.91 -1.00 0.00 0.00 179.01 176.99 1hr6 h ASN 94 N 0.00 0.00 -0.33 1.42 2.35 -1.42 -3.07 115.58 114.52 1hr6 h ASN 94 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1hr6 h ASN 94 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1hr6 h ASN 94 CO 0.03 0.33 0.00 2.30 -1.65 0.00 0.00 177.43 178.44 1hr6 n ILE 95 N -3.41 0.57 -2.74 2.81 -5.35 -1.06 -4.98 119.36 105.20 1hr6 n ILE 95 Ca 0.00 -0.79 -0.13 0.00 -0.27 0.00 0.00 62.75 61.57 1hr6 n ILE 95 Cb 0.52 0.88 0.02 0.00 -1.74 0.00 0.00 39.64 39.32 1hr6 n ILE 95 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hr6 n GLY 96 N 1.10 0.03 3.52 3.28 0.00 -0.90 -4.63 105.19 107.59 1hr6 n GLY 96 Ca 0.15 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 1hr6 n GLY 96 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hr6 n SER 97 N -0.67 1.85 -3.85 1.61 7.64 -0.40 -4.65 113.62 115.16 1hr6 n SER 97 Ca -0.05 -2.36 -0.12 0.00 1.01 0.00 0.00 58.87 57.35 1hr6 n SER 97 Cb 0.56 -0.40 -0.13 0.00 -1.01 0.00 0.00 64.21 63.24 1hr6 n SER 97 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1hr6 s HIS 98 N -2.28 -0.08 -0.11 1.43 3.76 0.71 -4.57 115.29 114.16 1hr6 s HIS 98 Ca 0.55 0.19 0.03 0.00 -0.15 0.00 0.00 55.06 55.68 1hr6 s HIS 98 Cb -0.04 0.02 0.01 0.00 1.11 0.00 0.00 32.58 33.68 1hr6 s HIS 98 CO 0.35 -0.07 -0.20 -1.17 -0.85 0.00 0.00 174.74 172.81 1hr6 s LEU 99 N -0.10 1.96 0.14 0.89 2.96 -1.26 -1.20 118.68 122.07 1hr6 s LEU 99 Ca -0.02 -0.52 -0.09 0.00 -0.22 0.00 0.00 54.13 53.28 1hr6 s LEU 99 Cb -0.01 -1.29 -0.00 0.00 0.50 0.00 0.00 46.19 45.39 1hr6 s LEU 99 CO 0.00 0.08 0.27 0.20 -1.32 0.00 0.00 176.35 175.58 1hr6 s ASN 100 N 0.72 0.04 0.15 3.68 0.01 -0.37 -5.02 114.94 114.15 1hr6 s ASN 100 Ca -0.11 -0.76 -0.22 0.00 -0.71 0.00 0.00 52.86 51.07 1hr6 s ASN 100 Cb -0.16 0.41 0.06 0.00 0.41 0.00 0.00 41.25 41.97 1hr6 s ASN 100 CO 0.02 -0.84 0.56 0.00 -1.51 0.00 0.00 177.10 175.32 1hr6 s ALA 101 N -3.92 -1.46 0.14 0.60 0.00 -1.26 -0.60 121.76 115.26 1hr6 s ALA 101 Ca 0.12 0.39 -0.23 0.00 0.00 0.00 0.00 51.96 52.24 1hr6 s ALA 101 Cb 0.04 0.84 0.07 0.00 0.00 0.00 0.00 23.12 24.07 1hr6 s ALA 101 CO -0.04 -0.74 0.60 1.52 0.00 0.00 0.00 175.76 177.10 1hr6 s TYR 102 N -3.74 -0.54 -0.10 0.00 -0.85 -0.51 -5.02 117.35 106.60 1hr6 s TYR 102 Ca 0.01 0.38 0.01 0.00 -0.52 0.00 0.00 57.07 56.95 1hr6 s TYR 102 Cb -0.00 0.54 0.02 0.00 0.38 0.00 0.00 41.96 42.89 1hr6 s TYR 102 CO -0.13 -0.83 -0.12 0.99 -1.52 0.00 0.00 175.55 173.95 1hr6 s THR 103 N -3.56 1.24 0.45 -3.49 2.01 -1.26 -1.68 115.64 109.34 1hr6 s THR 103 Ca 0.00 -0.48 0.06 0.00 0.31 0.00 0.00 61.69 61.58 1hr6 s THR 103 Cb -0.01 -1.16 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 1hr6 s THR 103 CO -0.11 0.39 0.24 -0.94 -0.69 0.00 0.00 174.62 173.50 1hr6 s SER 104 N 1.09 4.51 0.52 3.53 1.04 -0.38 -5.00 113.70 119.00 1hr6 s SER 104 Ca -0.06 -1.14 0.18 0.00 0.48 0.00 0.00 55.95 55.40 1hr6 s SER 104 Cb -0.14 -0.17 1.29 0.00 0.10 0.00 0.00 66.02 67.10 1hr6 s SER 104 CO -0.02 -0.72 2.13 0.03 0.98 0.00 0.00 173.24 175.64 1hr6 h ARG 105 N 1.22 0.00 0.01 4.02 3.08 -1.95 -3.10 114.38 117.66 1hr6 h ARG 105 Ca -0.41 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.29 1hr6 h ARG 105 Cb 1.27 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.26 1hr6 h ARG 105 CO 0.66 0.04 -2.18 0.39 -1.07 0.00 0.00 179.97 177.81 1hr6 n GLU 106 N -4.39 0.67 -4.28 0.04 1.02 -1.26 -1.02 120.64 111.42 1hr6 n GLU 106 Ca -0.03 0.11 -0.16 0.00 -0.02 0.00 0.00 57.16 57.06 1hr6 n GLU 106 Cb 0.12 -1.61 -0.10 0.00 -0.02 0.00 0.00 31.44 29.83 1hr6 n GLU 106 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1hr6 s ASN 107 N -5.87 1.02 -0.06 1.62 -0.87 -1.21 -1.63 114.94 107.93 1hr6 s ASN 107 Ca -0.12 -1.49 0.04 0.00 -1.57 0.00 0.00 52.86 49.72 1hr6 s ASN 107 Cb 0.07 0.36 0.00 0.00 -0.02 0.00 0.00 41.25 41.66 1hr6 s ASN 107 CO 0.80 -0.86 -0.17 -0.89 -2.57 0.00 0.00 177.10 173.41 1hr6 s THR 108 N -3.80 1.49 -0.03 1.60 2.01 -0.63 -1.25 115.64 115.03 1hr6 s THR 108 Ca 0.38 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 61.65 1hr6 s THR 108 Cb 0.06 -1.30 0.03 0.00 0.01 0.00 0.00 72.50 71.30 1hr6 s THR 108 CO 0.16 0.43 0.05 -0.69 -0.69 0.00 0.00 174.62 173.88 1hr6 s VAL 109 N 0.25 -0.06 -0.04 3.82 1.01 -0.68 -0.50 120.40 124.20 1hr6 s VAL 109 Ca -0.09 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1hr6 s VAL 109 Cb -0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 36.38 36.13 1hr6 s VAL 109 CO 0.04 0.09 -0.16 -0.31 0.00 0.00 0.00 175.10 174.76 1hr6 s TYR 110 N 1.09 1.58 0.11 5.22 1.51 -0.76 -1.43 117.35 124.67 1hr6 s TYR 110 Ca -0.09 -0.45 -0.09 0.00 -1.01 0.00 0.00 57.07 55.43 1hr6 s TYR 110 Cb -0.13 -1.08 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 1hr6 s TYR 110 CO -0.03 -0.16 0.23 1.52 -1.11 0.00 0.00 175.55 176.00 1hr6 s TYR 111 N 0.08 0.18 0.06 2.71 1.13 0.23 -0.28 117.35 121.45 1hr6 s TYR 111 Ca -0.04 -0.58 0.03 0.00 -1.41 0.00 0.00 57.07 55.07 1hr6 s TYR 111 Cb -0.11 -0.03 -0.03 0.00 -1.10 0.00 0.00 41.96 40.69 1hr6 s TYR 111 CO 0.02 -0.60 -0.09 0.00 -2.51 0.00 0.00 175.55 172.37 1hr6 s ALA 112 N -3.88 0.79 -0.08 9.51 0.00 0.50 -1.24 121.76 127.37 1hr6 s ALA 112 Ca 0.08 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.14 1hr6 s ALA 112 Cb 0.04 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1hr6 s ALA 112 CO -0.08 -0.03 -0.21 0.15 0.00 0.00 0.00 175.76 175.59 1hr6 s LYS 113 N -2.09 2.49 0.11 0.00 1.02 -0.34 -1.34 119.74 119.59 1hr6 s LYS 113 Ca -0.04 -0.75 -0.26 0.00 0.02 0.00 0.00 55.97 54.95 1hr6 s LYS 113 Cb -0.07 -1.98 0.07 0.00 -0.52 0.00 0.00 37.83 35.34 1hr6 s LYS 113 CO -0.00 0.20 0.86 -1.54 -0.92 0.00 0.00 175.35 173.95 1hr6 s SER 114 N 0.26 -0.31 0.69 2.83 1.04 -0.92 -0.21 113.70 117.08 1hr6 s SER 114 Ca -0.13 -0.23 -0.17 0.00 0.48 0.00 0.00 55.95 55.91 1hr6 s SER 114 Cb -0.16 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.47 1hr6 s SER 114 CO 0.06 -0.86 1.26 -0.76 0.98 0.00 0.00 173.24 173.92 1hr6 s LEU 115 N -2.75 3.45 0.51 2.42 1.02 -1.26 -1.86 118.68 120.21 1hr6 s LEU 115 Ca 0.08 2.52 0.26 0.00 0.02 0.00 0.00 54.13 57.01 1hr6 s LEU 115 Cb -0.02 -4.61 1.37 0.00 0.02 0.00 0.00 46.19 42.96 1hr6 s LEU 115 CO -0.03 -2.16 1.93 0.06 0.02 0.00 0.00 176.35 176.17 1hr6 h GLN 116 N 0.14 0.07 -0.35 1.70 3.07 -1.19 0.00 115.11 118.55 1hr6 h GLN 116 Ca -0.49 -0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.21 1hr6 h GLN 116 Cb 1.32 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.85 1hr6 h GLN 116 CO 0.51 0.05 0.07 0.93 0.09 0.00 0.00 178.83 180.49 1hr6 h GLU 117 N 0.08 0.51 -0.51 0.06 3.07 -1.89 -2.91 114.58 112.99 1hr6 h GLU 117 Ca 0.35 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1hr6 h GLU 117 Cb 1.29 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1hr6 h GLU 117 CO -0.03 0.48 0.00 -0.25 -1.40 0.00 0.00 179.01 177.81 1hr6 n ASP 118 N -4.34 2.68 -0.10 1.42 8.00 -0.01 -4.48 116.55 119.72 1hr6 n ASP 118 Ca 0.02 -2.12 -0.06 0.00 0.71 0.00 0.00 54.79 53.34 1hr6 n ASP 118 Cb 0.19 -0.37 0.01 0.00 -0.02 0.00 0.00 41.12 40.93 1hr6 n ASP 118 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1hr6 h ILE 119 N 2.53 0.71 0.24 0.53 1.08 -1.55 0.90 117.51 121.95 1hr6 h ILE 119 Ca 0.00 -0.02 -0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1hr6 h ILE 119 Cb 0.77 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 1hr6 h ILE 119 CO 0.07 0.01 -0.18 1.55 -0.69 0.00 0.00 178.15 178.91 1hr6 h PRO 120 N 0.07 -0.41 -0.94 2.37 0.13 -1.85 0.43 132.00 131.79 1hr6 h PRO 120 Ca 0.17 0.03 0.23 0.00 -0.87 0.00 0.00 66.00 65.55 1hr6 h PRO 120 Cb 0.24 0.09 -0.07 0.00 0.13 0.00 0.00 31.00 31.39 1hr6 h PRO 120 CO -0.31 -0.27 0.62 -0.22 -0.23 0.00 0.00 178.00 177.60 1hr6 h LYS 121 N -0.43 0.35 0.24 0.86 1.63 -1.78 0.64 116.57 118.08 1hr6 h LYS 121 Ca -0.01 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1hr6 h LYS 121 Cb 0.38 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1hr6 h LYS 121 CO -0.01 0.23 -0.12 0.00 -3.45 0.00 0.00 179.45 176.11 1hr6 h ALA 122 N 1.60 -0.33 -0.78 5.00 0.00 0.72 -1.72 119.26 123.76 1hr6 h ALA 122 Ca 0.50 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1hr6 h ALA 122 Cb 1.32 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 1hr6 h ALA 122 CO -0.18 -0.61 0.51 0.28 0.00 0.00 0.00 179.25 179.25 1hr6 h VAL 123 N -0.47 1.17 0.36 0.00 2.07 0.10 -1.26 116.25 118.22 1hr6 h VAL 123 Ca -0.03 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1hr6 h VAL 123 Cb 0.36 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1hr6 h VAL 123 CO 0.05 0.19 -0.45 -0.78 0.02 0.00 0.00 177.57 176.60 1hr6 h ASP 124 N 1.02 -1.27 -0.85 0.57 3.58 -0.88 -1.02 116.42 117.57 1hr6 h ASP 124 Ca 0.29 0.11 0.04 0.00 0.42 0.00 0.00 57.03 57.90 1hr6 h ASP 124 Cb -0.08 0.44 -0.05 0.00 1.72 0.00 0.00 39.33 41.36 1hr6 h ASP 124 CO -0.08 -0.58 0.54 0.40 -2.88 0.00 0.00 179.24 176.64 1hr6 h ILE 125 N -0.85 1.11 -0.13 2.25 2.04 -1.06 0.50 117.51 121.37 1hr6 h ILE 125 Ca -0.03 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1hr6 h ILE 125 Cb 0.78 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1hr6 h ILE 125 CO -0.12 0.19 0.08 -0.07 0.00 0.00 0.00 178.15 178.24 1hr6 h LEU 126 N 1.04 0.15 -0.09 1.44 3.38 -0.98 0.39 115.31 120.64 1hr6 h LEU 126 Ca 0.35 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 1hr6 h LEU 126 Cb 0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1hr6 h LEU 126 CO -0.13 0.12 0.05 0.77 0.09 0.00 0.00 178.44 179.34 1hr6 h SER 127 N 0.17 0.11 -0.83 -0.43 4.64 -0.83 -1.19 113.55 115.18 1hr6 h SER 127 Ca 0.05 -0.08 0.13 0.00 -0.47 0.00 0.00 61.79 61.41 1hr6 h SER 127 Cb -0.01 -0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 61.96 1hr6 h SER 127 CO -0.01 0.17 0.44 -0.78 -0.87 0.00 0.00 176.83 175.77 1hr6 h ASP 128 N 0.05 0.55 -0.09 4.97 3.58 -0.60 -0.51 116.42 124.36 1hr6 h ASP 128 Ca 0.03 0.08 -0.20 0.00 0.42 0.00 0.00 57.03 57.36 1hr6 h ASP 128 Cb 0.08 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1hr6 h ASP 128 CO -0.01 0.26 -0.70 0.40 -2.88 0.00 0.00 179.24 176.31 1hr6 h ILE 129 N 0.65 1.30 -0.09 2.25 2.04 -0.66 -0.96 117.51 122.05 1hr6 h ILE 129 Ca 0.44 -1.93 -0.23 0.00 1.00 0.00 0.00 64.86 64.13 1hr6 h ILE 129 Cb 0.57 1.90 0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1hr6 h ILE 129 CO -0.33 0.61 -0.87 0.25 0.00 0.00 0.00 178.15 177.81 1hr6 h LEU 130 N 0.52 0.87 0.00 1.44 5.85 -0.66 -3.36 115.31 119.96 1hr6 h LEU 130 Ca -0.03 -0.62 -0.03 0.00 0.84 0.00 0.00 57.88 58.04 1hr6 h LEU 130 Cb 1.31 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1hr6 h LEU 130 CO 0.14 1.41 -1.52 0.35 -0.34 0.00 0.00 178.44 178.49 1hr6 n THR 131 N -3.89 0.12 -1.86 1.05 -2.24 -0.25 -4.70 114.28 102.51 1hr6 n THR 131 Ca -0.08 -0.27 -0.18 0.00 -2.27 0.00 0.00 64.05 61.24 1hr6 n THR 131 Cb 0.79 0.08 0.07 0.00 -2.10 0.00 0.00 70.33 69.17 1hr6 n THR 131 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1hr6 n LYS 132 N -1.96 3.07 -2.51 -0.78 5.02 -0.37 -5.03 118.16 115.62 1hr6 n LYS 132 Ca -0.04 -3.89 -0.42 0.00 -2.02 0.00 0.00 58.31 51.94 1hr6 n LYS 132 Cb 0.37 -2.13 -0.03 0.00 -0.02 0.00 0.00 35.03 33.22 1hr6 n LYS 132 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1hr6 s SER 133 N -3.34 7.20 0.17 4.39 1.04 -1.22 -0.42 113.70 121.52 1hr6 s SER 133 Ca 0.49 1.97 -0.14 0.00 0.48 0.00 0.00 55.95 58.75 1hr6 s SER 133 Cb 0.41 -2.58 0.14 0.00 0.10 0.00 0.00 66.02 64.09 1hr6 s SER 133 CO 0.01 -0.35 1.73 0.58 0.98 0.00 0.00 173.24 176.19 1hr6 h VAL 134 N 4.32 0.79 -5.67 5.02 2.07 -1.24 -3.45 116.25 118.08 1hr6 h VAL 134 Ca -0.42 -0.09 -0.36 0.00 0.82 0.00 0.00 66.70 66.65 1hr6 h VAL 134 Cb 1.21 0.52 0.15 0.00 -1.52 0.00 0.00 31.29 31.65 1hr6 h VAL 134 CO 0.77 0.05 -0.71 0.18 0.02 0.00 0.00 177.57 177.88 1hr6 n LEU 135 N -5.08 -3.69 -4.72 2.57 4.77 -1.26 -4.90 117.00 104.68 1hr6 n LEU 135 Ca 0.04 -0.57 -0.42 0.00 -0.03 0.00 0.00 56.01 55.02 1hr6 n LEU 135 Cb 0.20 -3.04 -0.01 0.00 -2.33 0.00 0.00 43.42 38.24 1hr6 n LEU 135 CO 0.23 0.51 1.12 -0.67 -1.33 0.00 0.00 177.39 177.25 1hr6 n ASP 136 N -3.01 3.42 0.03 -1.43 2.03 -1.26 -4.83 116.55 111.49 1hr6 n ASP 136 Ca -0.14 1.17 0.04 0.00 0.52 0.00 0.00 54.79 56.38 1hr6 n ASP 136 Cb 0.61 -1.54 0.43 0.00 -0.72 0.00 0.00 41.12 39.90 1hr6 n ASP 136 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1hr6 h ASN 137 N 4.07 0.42 0.01 1.67 -0.26 -1.99 0.02 115.58 119.52 1hr6 h ASN 137 Ca -0.47 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.25 1hr6 h ASN 137 Cb 1.25 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 38.40 1hr6 h ASN 137 CO 0.74 0.33 -0.00 -1.28 -1.06 0.00 0.00 177.43 176.16 1hr6 h SER 138 N 0.49 -0.01 -0.20 5.81 0.87 -2.00 -2.57 113.55 115.94 1hr6 h SER 138 Ca 0.13 -0.25 0.04 0.00 -1.23 0.00 0.00 61.79 60.48 1hr6 h SER 138 Cb -0.01 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 1hr6 h SER 138 CO -0.02 0.24 -0.09 0.00 -0.53 0.00 0.00 176.83 176.43 1hr6 h ALA 139 N 0.72 0.08 -0.55 6.23 0.00 -1.79 -1.18 119.26 122.76 1hr6 h ALA 139 Ca -0.00 0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.15 1hr6 h ALA 139 Cb 0.26 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1hr6 h ALA 139 CO 0.00 -0.52 0.44 0.82 0.00 0.00 0.00 179.25 179.99 1hr6 h ILE 140 N -0.07 0.59 0.10 0.00 2.04 -0.91 -1.18 117.51 118.09 1hr6 h ILE 140 Ca 0.11 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.73 1hr6 h ILE 140 Cb 0.23 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1hr6 h ILE 140 CO -0.24 0.00 -1.17 -0.33 0.00 0.00 0.00 178.15 176.41 1hr6 h GLU 141 N 0.00 0.21 0.00 2.37 4.39 -0.84 -3.29 114.58 117.42 1hr6 h GLU 141 Ca 0.26 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 1hr6 h GLU 141 Cb 1.14 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1hr6 h GLU 141 CO -0.00 1.17 -0.11 0.00 -1.16 0.00 0.00 179.01 178.91 1hr6 h ARG 142 N -0.45 0.00 0.00 2.33 3.08 -0.80 -2.45 114.38 116.10 1hr6 h ARG 142 Ca -0.25 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.68 1hr6 h ARG 142 Cb 1.63 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.66 1hr6 h ARG 142 CO 0.04 0.11 -0.55 1.49 -1.07 0.00 0.00 179.97 179.98 1hr6 h GLU 143 N 0.00 0.00 -0.99 0.04 4.57 -1.36 -3.23 114.58 113.60 1hr6 h GLU 143 Ca -0.00 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.36 1hr6 h GLU 143 Cb 0.20 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.69 1hr6 h GLU 143 CO 0.01 0.55 0.62 0.00 -1.18 0.00 0.00 179.01 179.01 1hr6 h ARG 144 N 0.00 0.75 -0.31 1.92 3.08 -1.50 -0.39 114.38 117.93 1hr6 h ARG 144 Ca -0.01 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 59.82 1hr6 h ARG 144 Cb 1.13 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 1hr6 h ARG 144 CO 0.07 0.49 -0.52 0.22 -1.07 0.00 0.00 179.97 179.17 1hr6 h ASP 145 N 0.77 0.99 -0.92 7.04 1.82 -1.71 -2.59 116.42 121.82 1hr6 h ASP 145 Ca 0.55 -0.52 -0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1hr6 h ASP 145 Cb 0.86 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 40.54 1hr6 h ASP 145 CO -0.34 1.32 0.57 0.58 -1.61 0.00 0.00 179.24 179.76 1hr6 h VAL 146 N 0.70 1.25 -0.42 2.25 2.07 -1.23 -1.17 116.25 119.69 1hr6 h VAL 146 Ca 0.02 -0.53 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 1hr6 h VAL 146 Cb 1.13 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1hr6 h VAL 146 CO 0.12 0.26 -0.17 0.40 0.02 0.00 0.00 177.57 178.19 1hr6 h ILE 147 N 1.27 1.27 -0.29 4.57 1.08 -1.22 -1.69 117.51 122.50 1hr6 h ILE 147 Ca 0.33 -1.28 -0.02 0.00 -0.39 0.00 0.00 64.86 63.51 1hr6 h ILE 147 Cb -0.07 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 1hr6 h ILE 147 CO -0.06 0.43 0.11 0.40 -0.69 0.00 0.00 178.15 178.34 1hr6 h ILE 148 N 0.72 1.18 -0.26 -0.67 1.08 -1.03 0.50 117.51 119.03 1hr6 h ILE 148 Ca 0.11 -0.56 0.05 0.00 -0.39 0.00 0.00 64.86 64.07 1hr6 h ILE 148 Cb 0.68 1.01 -0.05 0.00 -3.07 0.00 0.00 36.82 35.39 1hr6 h ILE 148 CO 0.05 0.19 -0.04 -0.09 -0.69 0.00 0.00 178.15 177.57 1hr6 h ARG 149 N 0.32 0.02 -0.87 2.37 9.65 -1.09 -0.46 114.38 124.32 1hr6 h ARG 149 Ca 0.10 -0.00 0.07 0.00 -1.10 0.00 0.00 59.98 59.04 1hr6 h ARG 149 Cb 0.19 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.70 1hr6 h ARG 149 CO -0.01 0.02 0.54 1.49 2.80 0.00 0.00 179.97 184.81 1hr6 h GLU 150 N 0.02 0.93 -0.49 0.20 4.81 -0.96 -1.96 114.58 117.14 1hr6 h GLU 150 Ca 0.13 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1hr6 h GLU 150 Cb 0.19 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1hr6 h GLU 150 CO -0.25 0.62 0.25 1.03 -0.73 0.00 0.00 179.01 179.92 1hr6 h SER 151 N 0.96 0.64 0.31 1.04 0.87 0.16 -2.39 113.55 115.14 1hr6 h SER 151 Ca 0.39 -0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 1hr6 h SER 151 Cb 0.22 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1hr6 h SER 151 CO -0.19 0.57 -0.19 -0.33 -0.53 0.00 0.00 176.83 176.16 1hr6 h GLU 152 N 0.65 0.00 -0.10 2.24 5.08 -0.51 -2.51 114.58 119.42 1hr6 h GLU 152 Ca 0.17 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.33 1hr6 h GLU 152 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1hr6 h GLU 152 CO -0.02 0.19 -0.76 0.93 -1.00 0.00 0.00 179.01 178.34 1hr6 h GLU 153 N 0.00 0.57 -0.01 2.33 4.39 -0.89 -3.04 114.58 117.92 1hr6 h GLU 153 Ca -0.00 -0.47 -0.09 0.00 0.34 0.00 0.00 59.36 59.14 1hr6 h GLU 153 Cb 0.40 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1hr6 h GLU 153 CO 0.02 1.10 -0.42 0.28 -1.16 0.00 0.00 179.01 178.84 1hr6 h VAL 154 N 0.38 1.30 0.00 3.13 2.07 -1.07 -2.20 116.25 119.86 1hr6 h VAL 154 Ca -0.04 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1hr6 h VAL 154 Cb 1.36 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1hr6 h VAL 154 CO 0.14 0.42 0.00 0.44 0.02 0.00 0.00 177.57 178.59 1hr6 h ASP 155 N 0.03 0.00 0.12 0.57 3.32 -1.33 -0.35 116.42 118.77 1hr6 h ASP 155 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1hr6 h ASP 155 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1hr6 h ASP 155 CO 0.06 0.00 -0.33 0.29 -1.72 0.00 0.00 179.24 177.54 1hr6 n LYS 156 N -2.51 1.06 -3.51 3.56 5.02 -0.83 -4.58 118.16 116.36 1hr6 n LYS 156 Ca -0.01 -0.75 -0.41 0.00 -2.02 0.00 0.00 58.31 55.12 1hr6 n LYS 156 Cb 0.09 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 1hr6 n LYS 156 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1hr6 s MET 157 N -2.46 3.34 0.45 1.97 -1.94 -0.14 -4.95 119.30 115.58 1hr6 s MET 157 Ca 0.23 -2.81 0.22 0.00 -1.71 0.00 0.00 55.69 51.62 1hr6 s MET 157 Cb 0.19 -4.15 1.21 0.00 2.01 0.00 0.00 34.83 34.10 1hr6 s MET 157 CO 0.53 -1.24 1.85 1.88 -0.01 0.00 0.00 175.02 178.03 1hr6 h TYR 158 N 6.95 0.39 -0.32 -0.03 0.05 -1.81 -0.45 116.97 121.75 1hr6 h TYR 158 Ca 0.10 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 1hr6 h TYR 158 Cb 0.93 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 1hr6 h TYR 158 CO 0.83 0.08 0.14 0.38 -1.05 0.00 0.00 178.16 178.54 1hr6 h ASP 159 N 0.28 0.43 -0.41 3.88 2.03 -1.93 -0.43 116.42 120.27 1hr6 h ASP 159 Ca 0.48 -0.15 0.02 0.00 -0.73 0.00 0.00 57.03 56.65 1hr6 h ASP 159 Cb 1.41 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 39.76 1hr6 h ASP 159 CO -0.14 0.46 0.23 -0.33 -1.03 0.00 0.00 179.24 178.43 1hr6 h GLU 160 N 0.38 0.45 -0.03 4.15 4.39 -1.42 -1.05 114.58 121.45 1hr6 h GLU 160 Ca 0.11 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.79 1hr6 h GLU 160 Cb 0.16 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1hr6 h GLU 160 CO -0.01 0.30 -0.03 0.28 -1.16 0.00 0.00 179.01 178.39 1hr6 h VAL 161 N 0.46 0.91 -0.55 3.13 2.07 -1.18 0.78 116.25 121.87 1hr6 h VAL 161 Ca 0.17 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 1hr6 h VAL 161 Cb 0.04 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1hr6 h VAL 161 CO -0.09 0.00 0.33 0.58 0.02 0.00 0.00 177.57 178.41 1hr6 h VAL 162 N -0.04 1.06 0.00 2.57 2.07 -0.81 -1.84 116.25 119.26 1hr6 h VAL 162 Ca 0.02 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 1hr6 h VAL 162 Cb 0.07 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1hr6 h VAL 162 CO -0.06 0.12 -0.38 -0.26 0.02 0.00 0.00 177.57 177.01 1hr6 h PHE 163 N 0.66 0.00 -0.26 1.57 0.04 -0.80 0.08 116.94 118.23 1hr6 h PHE 163 Ca 0.22 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.86 1hr6 h PHE 163 Cb 0.03 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 1hr6 h PHE 163 CO -0.06 0.38 -0.38 -0.44 -0.60 0.00 0.00 178.31 177.21 1hr6 h ASP 164 N 0.00 0.77 -0.47 2.17 3.32 -0.44 -2.07 116.42 119.70 1hr6 h ASP 164 Ca -0.00 -0.51 -0.09 0.00 0.02 0.00 0.00 57.03 56.44 1hr6 h ASP 164 Cb 0.87 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1hr6 h ASP 164 CO 0.05 1.14 -0.05 0.45 -1.72 0.00 0.00 179.24 179.11 1hr6 h HIS 165 N 0.44 0.99 -0.36 4.55 3.86 -1.14 -1.79 115.15 121.70 1hr6 h HIS 165 Ca 0.03 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 1hr6 h HIS 165 Cb 0.97 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 1hr6 h HIS 165 CO 0.08 0.92 0.22 1.25 0.86 0.00 0.00 177.93 181.26 1hr6 h LEU 166 N 0.83 0.42 -0.99 2.43 5.85 -0.91 -1.85 115.31 121.09 1hr6 h LEU 166 Ca 0.15 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1hr6 h LEU 166 Cb 0.56 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1hr6 h LEU 166 CO 0.03 0.33 0.65 0.45 -0.34 0.00 0.00 178.44 179.57 1hr6 h HIS 167 N 0.47 1.24 -0.40 1.25 3.86 -1.09 -0.33 115.15 120.15 1hr6 h HIS 167 Ca 0.13 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1hr6 h HIS 167 Cb -0.02 -0.42 -0.02 0.00 1.06 0.00 0.00 27.41 28.02 1hr6 h HIS 167 CO -0.04 0.75 0.24 1.49 0.86 0.00 0.00 177.93 181.23 1hr6 h GLU 168 N 1.31 0.55 0.00 2.45 4.81 -0.71 -1.17 114.58 121.81 1hr6 h GLU 168 Ca 0.37 -0.05 -0.23 0.00 -0.13 0.00 0.00 59.36 59.32 1hr6 h GLU 168 Cb -0.10 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.13 1hr6 h GLU 168 CO -0.10 0.42 -1.21 -0.84 -0.73 0.00 0.00 179.01 176.56 1hr6 h ILE 169 N 0.53 1.38 -0.09 2.32 3.07 -1.16 -3.08 117.51 120.48 1hr6 h ILE 169 Ca 0.14 -3.11 -0.23 0.00 1.55 0.00 0.00 64.86 63.21 1hr6 h ILE 169 Cb 0.01 2.67 0.01 0.00 -0.27 0.00 0.00 36.82 39.25 1hr6 h ILE 169 CO -0.03 0.78 -0.86 0.74 -1.05 0.00 0.00 178.15 177.74 1hr6 h THR 170 N 0.00 1.29 -1.95 0.16 2.02 -1.05 -3.23 112.91 110.16 1hr6 h THR 170 Ca -0.10 -2.10 -0.70 0.00 0.77 0.00 0.00 66.41 64.28 1hr6 h THR 170 Cb 1.82 2.14 -0.33 0.00 -1.74 0.00 0.00 68.15 70.03 1hr6 h THR 170 CO 0.11 0.66 0.31 -1.22 0.37 0.00 0.00 175.52 175.74 1hr6 n TYR 171 N -3.89 3.22 -1.64 3.16 4.01 -0.45 -0.72 117.16 120.85 1hr6 n TYR 171 Ca -0.08 -2.83 -0.54 0.00 -0.16 0.00 0.00 57.90 54.28 1hr6 n TYR 171 Cb 0.79 -0.77 -0.07 0.00 -0.31 0.00 0.00 39.34 38.98 1hr6 n TYR 171 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1hr6 n LYS 172 N -0.39 1.12 -3.43 -0.72 3.00 -1.16 -1.51 118.16 115.07 1hr6 n LYS 172 Ca 0.45 0.41 -0.24 0.00 -0.00 0.00 0.00 58.31 58.93 1hr6 n LYS 172 Cb 0.38 -2.06 -0.00 0.00 0.00 0.00 0.00 35.03 33.34 1hr6 n LYS 172 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1hr6 n ASP 173 N 3.66 -3.79 -4.46 3.14 8.00 -1.26 -4.97 116.55 116.86 1hr6 n ASP 173 Ca 0.22 -0.44 -0.23 0.00 0.71 0.00 0.00 54.79 55.05 1hr6 n ASP 173 Cb 0.16 -3.13 -0.10 0.00 -0.02 0.00 0.00 41.12 38.03 1hr6 n ASP 173 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1hr6 s GLN 174 N -6.09 1.62 0.18 -1.24 -0.21 -0.57 -5.04 119.66 108.32 1hr6 s GLN 174 Ca 0.43 -1.81 -0.13 0.00 0.02 0.00 0.00 55.36 53.87 1hr6 s GLN 174 Cb -0.23 -1.38 0.17 0.00 1.00 0.00 0.00 33.01 32.58 1hr6 s GLN 174 CO 0.53 0.11 1.74 -1.35 -2.12 0.00 0.00 175.29 174.20 1hr6 h PRO 175 N 2.23 0.32 0.00 2.91 0.11 -1.87 -1.23 132.00 134.46 1hr6 h PRO 175 Ca -0.40 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1hr6 h PRO 175 Cb 1.24 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1hr6 h PRO 175 CO 0.67 0.21 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.60 1hr6 h LEU 176 N 0.33 0.00 0.00 2.35 4.07 -1.87 -2.65 115.31 117.54 1hr6 h LEU 176 Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.20 1hr6 h LEU 176 Cb 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1hr6 h LEU 176 CO -0.26 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.71 1hr6 n GLY 177 N -0.66 -1.36 3.90 0.83 0.00 -0.47 -4.81 105.19 102.63 1hr6 n GLY 177 Ca -0.02 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1hr6 n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hr6 s ARG 178 N -2.81 3.63 0.88 1.61 0.52 -1.00 -3.14 118.95 118.64 1hr6 s ARG 178 Ca 0.19 -0.06 -0.13 0.00 -0.52 0.00 0.00 55.73 55.21 1hr6 s ARG 178 Cb 0.19 -2.78 0.13 0.00 0.52 0.00 0.00 34.95 33.00 1hr6 s ARG 178 CO 0.48 0.39 1.18 0.95 0.02 0.00 0.00 175.30 178.31 1hr6 s THR 179 N -1.80 1.98 -0.01 0.02 -4.23 -1.26 -4.94 115.64 105.40 1hr6 s THR 179 Ca 0.42 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.93 1hr6 s THR 179 Cb -0.12 -2.89 -0.26 0.00 1.34 0.00 0.00 72.50 70.58 1hr6 s THR 179 CO 0.26 0.00 0.79 0.40 -0.54 0.00 0.00 174.62 175.52 1hr6 h ILE 180 N -1.36 1.07 -0.04 2.99 2.04 -1.96 -3.34 117.51 116.91 1hr6 h ILE 180 Ca -0.47 -2.76 -0.20 0.00 1.00 0.00 0.00 64.86 62.43 1hr6 h ILE 180 Cb 1.32 2.67 -0.00 0.00 -0.74 0.00 0.00 36.82 40.07 1hr6 h ILE 180 CO 0.60 0.78 -0.83 -0.07 0.00 0.00 0.00 178.15 178.63 1hr6 h LEU 181 N 0.05 0.48 0.00 1.44 4.07 -1.95 -3.39 115.31 116.02 1hr6 h LEU 181 Ca -0.26 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 57.35 1hr6 h LEU 181 Cb 2.00 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 43.60 1hr6 h LEU 181 CO 0.14 1.12 0.00 0.61 -1.08 0.00 0.00 178.44 179.22 1hr6 n GLY 182 N 0.74 -0.48 3.78 0.83 0.00 -1.25 -4.28 105.19 104.53 1hr6 n GLY 182 Ca -0.05 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.90 1hr6 n GLY 182 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1hr6 s PRO 183 N -1.82 3.00 0.23 1.61 0.02 -1.26 -4.87 135.00 131.91 1hr6 s PRO 183 Ca 0.00 1.40 -0.07 0.00 0.02 0.00 0.00 61.00 62.36 1hr6 s PRO 183 Cb 0.00 -1.98 0.31 0.00 0.02 0.00 0.00 34.50 32.85 1hr6 s PRO 183 CO 0.00 -1.09 1.84 0.82 -0.33 0.00 0.00 177.00 178.23 1hr6 h ILE 184 N 0.34 1.01 -0.77 2.83 1.08 -1.98 -1.53 117.51 118.49 1hr6 h ILE 184 Ca -0.47 -0.30 0.12 0.00 -0.39 0.00 0.00 64.86 63.82 1hr6 h ILE 184 Cb 1.24 0.06 -0.13 0.00 -3.07 0.00 0.00 36.82 34.93 1hr6 h ILE 184 CO 0.55 0.16 -0.38 0.50 -0.69 0.00 0.00 178.15 178.29 1hr6 h LYS 185 N 0.87 -0.10 -0.50 2.37 3.64 -2.00 -0.87 116.57 119.99 1hr6 h LYS 185 Ca 0.35 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.61 1hr6 h LYS 185 Cb 0.19 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1hr6 h LYS 185 CO -0.18 -0.06 -0.19 -0.91 -2.27 0.00 0.00 179.45 175.84 1hr6 h ASN 186 N -0.10 1.03 -0.13 4.20 4.21 -1.69 -2.37 115.58 120.72 1hr6 h ASN 186 Ca 0.27 -0.38 0.04 0.00 1.21 0.00 0.00 56.30 57.44 1hr6 h ASN 186 Cb 0.57 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 1hr6 h ASN 186 CO -0.81 1.18 0.22 0.40 -1.29 0.00 0.00 177.43 177.12 1hr6 h ILE 187 N 0.87 0.28 0.00 2.81 2.04 -0.22 0.12 117.51 123.41 1hr6 h ILE 187 Ca 0.12 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.89 1hr6 h ILE 187 Cb 0.77 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1hr6 h ILE 187 CO 0.06 0.00 -1.61 0.29 0.00 0.00 0.00 178.15 176.89 1hr6 n LYS 188 N -3.47 0.64 0.00 2.37 5.02 -0.75 -4.49 118.16 117.48 1hr6 n LYS 188 Ca 0.01 0.02 0.08 0.00 -2.02 0.00 0.00 58.31 56.40 1hr6 n LYS 188 Cb 0.32 -1.68 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 1hr6 n LYS 188 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1hr6 n SER 189 N -2.60 1.25 -4.73 4.39 3.41 0.22 -4.99 113.62 110.57 1hr6 n SER 189 Ca -0.08 -1.13 -0.42 0.00 -0.26 0.00 0.00 58.87 56.99 1hr6 n SER 189 Cb 0.70 0.70 -0.02 0.00 -0.26 0.00 0.00 64.21 65.33 1hr6 n SER 189 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1hr6 n ILE 190 N -0.66 0.36 -4.33 -1.33 2.08 -0.10 -5.00 119.36 110.37 1hr6 n ILE 190 Ca 0.05 -0.09 -0.24 0.00 0.56 0.00 0.00 62.75 63.04 1hr6 n ILE 190 Cb 0.30 -1.98 -0.08 0.00 -0.75 0.00 0.00 39.64 37.13 1hr6 n ILE 190 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1hr6 s THR 191 N 0.76 3.00 0.59 1.39 -4.23 -1.26 -5.00 115.64 110.89 1hr6 s THR 191 Ca 0.71 -2.03 0.29 0.00 -1.18 0.00 0.00 61.69 59.48 1hr6 s THR 191 Cb -0.50 -2.72 0.37 0.00 1.34 0.00 0.00 72.50 70.99 1hr6 s THR 191 CO 0.38 -0.33 2.01 -0.09 -0.54 0.00 0.00 174.62 176.05 1hr6 h ARG 192 N 1.93 0.00 -0.01 3.99 2.43 -1.94 0.15 114.38 120.93 1hr6 h ARG 192 Ca -0.43 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1hr6 h ARG 192 Cb 1.25 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1hr6 h ARG 192 CO 0.62 0.00 -0.01 1.15 -1.51 0.00 0.00 179.97 180.22 1hr6 h THR 193 N 0.00 1.35 -0.52 0.20 2.02 -1.99 -1.61 112.91 112.36 1hr6 h THR 193 Ca 0.14 -1.05 0.10 0.00 0.77 0.00 0.00 66.41 66.38 1hr6 h THR 193 Cb 0.79 2.04 -0.10 0.00 -1.74 0.00 0.00 68.15 69.14 1hr6 h THR 193 CO -0.00 0.27 -0.10 0.44 0.37 0.00 0.00 175.52 176.50 1hr6 h ASP 194 N -0.41 -0.43 0.17 4.18 3.32 -1.38 0.22 116.42 122.09 1hr6 h ASP 194 Ca 0.00 0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.21 1hr6 h ASP 194 Cb 0.45 0.30 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 1hr6 h ASP 194 CO 0.00 -0.15 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.04 1hr6 h LEU 195 N 0.02 -0.71 -1.59 1.55 3.38 -1.34 0.00 115.31 116.63 1hr6 h LEU 195 Ca 0.25 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 1hr6 h LEU 195 Cb 0.39 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1hr6 h LEU 195 CO -0.52 -0.36 -0.20 0.11 0.09 0.00 0.00 178.44 177.57 1hr6 h LYS 196 N -0.50 0.00 -0.25 1.13 1.57 -0.70 -1.57 116.57 116.26 1hr6 h LYS 196 Ca 0.02 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 1hr6 h LYS 196 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1hr6 h LYS 196 CO -0.11 0.20 -0.36 -0.44 -0.57 0.00 0.00 179.45 178.17 1hr6 h ASP 197 N 0.00 0.74 -0.23 0.86 3.32 0.01 -0.54 116.42 120.59 1hr6 h ASP 197 Ca -0.00 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 1hr6 h ASP 197 Cb 0.49 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1hr6 h ASP 197 CO 0.03 1.11 0.12 0.22 -1.72 0.00 0.00 179.24 179.00 1hr6 h TYR 198 N 0.39 0.33 0.01 4.55 5.03 -0.64 0.13 116.97 126.76 1hr6 h TYR 198 Ca 0.02 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.35 1hr6 h TYR 198 Cb 0.95 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 39.09 1hr6 h TYR 198 CO 0.08 0.30 -0.18 0.82 -1.32 0.00 0.00 178.16 177.87 1hr6 h ILE 199 N 0.25 0.58 -0.34 1.81 2.04 -1.23 -0.49 117.51 120.12 1hr6 h ILE 199 Ca 0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1hr6 h ILE 199 Cb 0.09 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1hr6 h ILE 199 CO -0.01 0.00 0.19 0.74 0.00 0.00 0.00 178.15 179.07 1hr6 h THR 200 N -0.29 1.01 -0.23 -0.27 2.02 -0.84 -0.02 112.91 114.29 1hr6 h THR 200 Ca 0.05 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1hr6 h THR 200 Cb 0.36 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1hr6 h THR 200 CO -0.16 0.07 0.01 0.50 0.37 0.00 0.00 175.52 176.31 1hr6 h LYS 201 N 0.38 0.39 0.03 6.66 3.64 -0.60 -3.39 116.57 123.69 1hr6 h LYS 201 Ca 0.14 -0.12 -0.34 0.00 -1.27 0.00 0.00 60.65 59.07 1hr6 h LYS 201 Cb 0.03 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 1hr6 h LYS 201 CO -0.08 0.56 -2.01 0.09 -2.27 0.00 0.00 179.45 175.74 1hr6 n ASN 202 N -4.68 1.03 -4.57 4.20 3.02 -0.21 -4.77 115.26 109.28 1hr6 n ASN 202 Ca -0.04 0.22 -0.37 0.00 -0.03 0.00 0.00 54.58 54.36 1hr6 n ASN 202 Cb 0.22 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.36 1hr6 n ASN 202 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1hr6 s TYR 203 N -2.56 2.40 -0.02 3.10 1.51 -0.03 -4.89 117.35 116.87 1hr6 s TYR 203 Ca -0.13 -0.66 0.06 0.00 -1.01 0.00 0.00 57.07 55.33 1hr6 s TYR 203 Cb 0.07 -4.46 -0.02 0.00 -0.11 0.00 0.00 41.96 37.43 1hr6 s TYR 203 CO 0.79 -1.66 -0.21 0.15 -1.11 0.00 0.00 175.55 173.51 1hr6 s LYS 204 N 5.28 2.23 0.27 -0.62 -0.14 -1.26 -4.47 119.74 121.03 1hr6 s LYS 204 Ca 0.58 -0.86 -0.00 0.00 -1.36 0.00 0.00 55.97 54.33 1hr6 s LYS 204 Cb 0.01 -2.18 0.56 0.00 -1.68 0.00 0.00 37.83 34.54 1hr6 s LYS 204 CO 0.05 0.58 1.76 0.78 -0.76 0.00 0.00 175.35 177.76 1hr6 h GLY 205 N 5.27 1.43 1.50 -3.33 0.00 -1.24 0.19 103.07 106.89 1hr6 h GLY 205 Ca -0.45 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1hr6 h GLY 205 CO 0.48 -0.04 0.00 2.09 0.00 0.00 0.00 176.54 179.07 1hr6 n ASP 206 N -4.86 0.00 -0.53 0.19 5.75 -1.07 -0.77 116.55 115.26 1hr6 n ASP 206 Ca 0.18 0.01 0.06 0.00 -0.01 0.00 0.00 54.79 55.03 1hr6 n ASP 206 Cb 0.45 -0.25 0.16 0.00 -1.03 0.00 0.00 41.12 40.45 1hr6 n ASP 206 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1hr6 n ARG 207 N -1.25 2.67 -4.05 0.11 1.74 0.65 -4.53 116.66 112.01 1hr6 n ARG 207 Ca 0.08 -2.31 -0.08 0.00 -0.77 0.00 0.00 57.85 54.77 1hr6 n ARG 207 Cb 0.11 -1.45 -0.10 0.00 -1.02 0.00 0.00 32.46 29.99 1hr6 n ARG 207 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hr6 s MET 208 N -1.90 0.51 -0.04 5.56 0.23 -1.06 -0.05 119.30 122.54 1hr6 s MET 208 Ca 0.27 -1.00 0.03 0.00 -1.03 0.00 0.00 55.69 53.96 1hr6 s MET 208 Cb 0.20 0.18 0.00 0.00 -1.53 0.00 0.00 34.83 33.68 1hr6 s MET 208 CO 0.09 -0.09 -0.13 0.08 -2.03 0.00 0.00 175.02 172.94 1hr6 s VAL 209 N -3.05 1.11 -0.39 5.16 1.01 0.79 -2.19 120.40 122.84 1hr6 s VAL 209 Ca -0.01 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 1hr6 s VAL 209 Cb 0.02 -0.98 0.05 0.00 0.00 0.00 0.00 36.38 35.46 1hr6 s VAL 209 CO -0.07 0.33 0.23 -0.22 0.00 0.00 0.00 175.10 175.38 1hr6 s LEU 210 N 0.26 4.89 -0.12 3.92 2.96 0.69 -0.29 118.68 131.00 1hr6 s LEU 210 Ca -0.06 -1.17 -0.03 0.00 -0.22 0.00 0.00 54.13 52.64 1hr6 s LEU 210 Cb -0.12 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 1hr6 s LEU 210 CO 0.02 -0.45 0.01 0.00 -1.32 0.00 0.00 176.35 174.61 1hr6 s ALA 211 N 1.52 3.25 0.06 5.97 0.00 0.47 -1.78 121.76 131.25 1hr6 s ALA 211 Ca 0.02 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1hr6 s ALA 211 Cb -0.21 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1hr6 s ALA 211 CO 0.05 0.43 -0.05 0.20 0.00 0.00 0.00 175.76 176.39 1hr6 s GLY 212 N -0.38 0.54 -0.07 0.00 0.00 -0.39 -0.43 107.32 106.59 1hr6 s GLY 212 Ca 0.07 -1.09 -0.30 0.00 0.00 0.00 0.00 44.72 43.40 1hr6 s GLY 212 CO 0.02 -1.18 0.76 0.00 0.00 0.00 0.00 173.10 172.70 1hr6 s ALA 213 N -3.04 -1.81 0.00 3.20 0.00 -0.91 -1.81 121.76 117.39 1hr6 s ALA 213 Ca 0.02 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1hr6 s ALA 213 Cb 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1hr6 s ALA 213 CO -0.05 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1hr6 n GLY 214 N 0.77 0.34 3.05 0.00 0.00 -0.94 -1.81 105.19 106.60 1hr6 n GLY 214 Ca -0.16 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 1hr6 n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hr6 n ALA 215 N -0.33 4.57 -3.32 4.61 0.00 0.03 -1.76 120.51 124.32 1hr6 n ALA 215 Ca 0.00 -3.77 -0.26 0.00 0.00 0.00 0.00 53.44 49.41 1hr6 n ALA 215 Cb 0.00 -3.57 -0.17 0.00 0.00 0.00 0.00 19.45 15.72 1hr6 n ALA 215 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1hr6 s VAL 216 N 4.07 1.36 -0.28 0.00 1.01 -1.26 -4.77 120.40 120.53 1hr6 s VAL 216 Ca 0.51 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 1hr6 s VAL 216 Cb 0.11 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1hr6 s VAL 216 CO -0.01 0.40 0.54 -0.62 0.00 0.00 0.00 175.10 175.41 1hr6 s ASP 217 N 0.49 6.43 0.14 3.32 -1.08 -1.26 -4.66 116.67 120.05 1hr6 s ASP 217 Ca -0.14 0.42 -0.17 0.00 -0.52 0.00 0.00 52.55 52.14 1hr6 s ASP 217 Cb -0.15 -2.29 0.01 0.00 -1.46 0.00 0.00 42.92 39.02 1hr6 s ASP 217 CO 0.05 -0.35 1.77 -0.74 0.52 0.00 0.00 175.17 176.42 1hr6 h HIS 218 N 8.12 0.29 0.47 -5.34 -0.00 -1.99 -1.85 115.15 114.84 1hr6 h HIS 218 Ca -0.28 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.09 1hr6 h HIS 218 Cb 1.13 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.44 1hr6 h HIS 218 CO 0.75 0.16 -0.47 0.93 -0.00 0.00 0.00 177.93 179.30 1hr6 h GLU 219 N 0.32 -0.91 -0.77 5.26 3.07 -2.00 -1.80 114.58 117.75 1hr6 h GLU 219 Ca 0.13 0.06 0.10 0.00 -0.50 0.00 0.00 59.36 59.15 1hr6 h GLU 219 Cb 0.04 0.21 -0.07 0.00 -0.84 0.00 0.00 28.75 28.09 1hr6 h GLU 219 CO -0.09 -0.61 0.41 0.87 -1.40 0.00 0.00 179.01 178.20 1hr6 h LYS 220 N -0.94 0.67 -0.22 2.33 1.57 -1.98 -0.65 116.57 117.35 1hr6 h LYS 220 Ca -0.05 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1hr6 h LYS 220 Cb 0.82 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1hr6 h LYS 220 CO -0.06 0.44 0.06 1.25 -0.57 0.00 0.00 179.45 180.56 1hr6 h LEU 221 N 0.69 0.27 -0.28 2.94 5.85 -1.11 -1.19 115.31 122.48 1hr6 h LEU 221 Ca 0.38 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.02 1hr6 h LEU 221 Cb 0.38 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1hr6 h LEU 221 CO -0.26 0.28 -0.03 0.58 -0.34 0.00 0.00 178.44 178.67 1hr6 h VAL 222 N 0.30 1.27 0.18 1.05 2.07 -0.24 -0.58 116.25 120.30 1hr6 h VAL 222 Ca 0.08 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.61 1hr6 h VAL 222 Cb 0.12 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1hr6 h VAL 222 CO -0.00 0.32 -0.29 1.56 0.02 0.00 0.00 177.57 179.18 1hr6 h GLN 223 N 0.30 -0.52 -0.50 1.57 4.20 -0.86 -0.43 115.11 118.85 1hr6 h GLN 223 Ca 0.08 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.88 1hr6 h GLN 223 Cb 0.48 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 1hr6 h GLN 223 CO 0.02 -0.35 0.34 1.88 -0.67 0.00 0.00 178.83 180.05 1hr6 h TYR 224 N -0.54 0.45 0.18 2.96 0.05 -1.20 0.14 116.97 119.01 1hr6 h TYR 224 Ca 0.02 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1hr6 h TYR 224 Cb 0.54 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.14 1hr6 h TYR 224 CO -0.23 0.24 -0.08 0.00 -1.05 0.00 0.00 178.16 177.04 1hr6 h ALA 225 N 1.73 -0.24 -0.25 3.88 0.00 -0.08 0.15 119.26 124.45 1hr6 h ALA 225 Ca 0.22 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1hr6 h ALA 225 Cb 0.29 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1hr6 h ALA 225 CO -0.06 -0.60 0.01 0.37 0.00 0.00 0.00 179.25 178.98 1hr6 h GLN 226 N -0.31 0.09 0.03 0.00 5.75 -0.00 0.77 115.11 121.44 1hr6 h GLN 226 Ca -0.02 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1hr6 h GLN 226 Cb 0.24 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 1hr6 h GLN 226 CO 0.04 0.06 -0.08 -0.22 -2.65 0.00 0.00 178.83 175.98 1hr6 h LYS 227 N 0.09 -0.15 0.00 1.69 3.64 -0.41 0.18 116.57 121.62 1hr6 h LYS 227 Ca 0.12 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1hr6 h LYS 227 Cb 0.14 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1hr6 h LYS 227 CO -0.19 -0.10 -0.99 0.66 -2.27 0.00 0.00 179.45 176.57 1hr6 n TYR 228 N -5.20 0.30 -0.02 1.91 4.01 0.49 -4.38 117.16 114.27 1hr6 n TYR 228 Ca -0.06 0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1hr6 n TYR 228 Cb 0.13 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 1hr6 n TYR 228 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1hr6 n PHE 229 N -1.98 0.00 -0.27 -0.72 3.72 0.27 -4.75 117.46 113.72 1hr6 n PHE 229 Ca 0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.54 1hr6 n PHE 229 Cb 0.44 0.00 0.38 0.00 -0.94 0.00 0.00 39.48 39.35 1hr6 n PHE 229 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1hr6 h GLY 230 N 0.00 1.23 1.15 1.37 0.00 -0.41 -1.06 103.07 105.34 1hr6 h GLY 230 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1hr6 h GLY 230 CO 0.00 0.08 0.00 -2.39 0.00 0.00 0.00 176.54 174.23 1hr6 n HIS 231 N -4.57 0.00 -2.76 5.60 1.44 -1.26 -4.73 115.22 108.94 1hr6 n HIS 231 Ca 0.18 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.47 1hr6 n HIS 231 Cb 0.48 -0.07 -0.04 0.00 0.12 0.00 0.00 29.99 30.48 1hr6 n HIS 231 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1hr6 s VAL 232 N -2.15 4.79 0.32 0.61 1.01 -0.40 -5.00 120.40 119.58 1hr6 s VAL 232 Ca 0.11 1.99 -0.29 0.00 0.00 0.00 0.00 61.98 63.79 1hr6 s VAL 232 Cb 0.05 -4.29 -0.12 0.00 0.00 0.00 0.00 36.38 32.02 1hr6 s VAL 232 CO 0.10 0.21 1.32 -2.65 0.00 0.00 0.00 175.10 174.08 1hr6 n PRO 233 N 3.58 2.13 -2.96 2.72 -0.02 -1.26 -4.45 135.00 134.74 1hr6 n PRO 233 Ca 0.04 0.75 -0.30 0.00 -2.02 0.00 0.00 63.50 61.97 1hr6 n PRO 233 Cb 0.51 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1hr6 n PRO 233 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1hr6 s LYS 234 N -1.61 3.75 0.85 -0.52 2.20 -1.26 -1.23 119.74 121.91 1hr6 s LYS 234 Ca 0.58 0.37 -0.12 0.00 -0.36 0.00 0.00 55.97 56.44 1hr6 s LYS 234 Cb -0.58 -2.45 0.10 0.00 -1.51 0.00 0.00 37.83 33.40 1hr6 s LYS 234 CO 0.60 0.02 1.12 -1.12 -0.36 0.00 0.00 175.35 175.61 1hr6 s SER 235 N -3.16 4.06 0.06 1.43 0.01 -1.26 -4.90 113.70 109.95 1hr6 s SER 235 Ca 0.50 1.10 0.23 0.00 1.31 0.00 0.00 55.95 59.09 1hr6 s SER 235 Cb -0.10 -1.75 0.04 0.00 0.21 0.00 0.00 66.02 64.41 1hr6 s SER 235 CO 0.31 -2.22 1.01 -1.84 0.41 0.00 0.00 173.24 170.92 1hr6 n GLU 236 N -3.57 0.33 -2.91 12.44 0.28 -1.26 -4.19 120.64 121.77 1hr6 n GLU 236 Ca 0.07 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.83 1hr6 n GLU 236 Cb 0.58 -1.61 -0.03 0.00 1.43 0.00 0.00 31.44 31.81 1hr6 n GLU 236 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1hr6 n SER 237 N -2.04 3.45 -4.62 -1.84 7.64 -1.26 -5.10 113.62 109.84 1hr6 n SER 237 Ca 0.02 -3.46 -0.48 0.00 1.01 0.00 0.00 58.87 55.95 1hr6 n SER 237 Cb 0.45 -0.56 -0.04 0.00 -1.01 0.00 0.00 64.21 63.05 1hr6 n SER 237 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1hr6 n PRO 238 N -0.15 1.58 -4.82 1.43 -0.02 -1.26 -5.01 135.00 126.75 1hr6 n PRO 238 Ca 0.29 0.57 -0.25 0.00 -2.02 0.00 0.00 63.50 62.09 1hr6 n PRO 238 Cb 0.53 -2.20 -0.16 0.00 -0.02 0.00 0.00 33.50 31.65 1hr6 n PRO 238 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1hr6 s VAL 239 N 0.24 1.38 0.35 -1.45 -7.23 -1.26 -5.12 120.40 107.31 1hr6 s VAL 239 Ca 0.76 -0.72 -0.28 0.00 -1.81 0.00 0.00 61.98 59.93 1hr6 s VAL 239 Cb -0.79 -1.17 -0.12 0.00 0.56 0.00 0.00 36.38 34.86 1hr6 s VAL 239 CO 0.47 0.39 1.43 -2.65 -0.31 0.00 0.00 175.10 174.43 1hr6 n PRO 240 N 2.89 2.47 -0.65 4.82 -0.02 -1.26 -4.82 135.00 138.43 1hr6 n PRO 240 Ca -0.16 0.87 0.51 0.00 -2.02 0.00 0.00 63.50 62.69 1hr6 n PRO 240 Cb 0.53 -2.55 0.81 0.00 -0.02 0.00 0.00 33.50 32.28 1hr6 n PRO 240 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1hr6 h LEU 241 N 2.99 0.01 -1.62 2.45 3.38 -1.89 0.11 115.31 120.73 1hr6 h LEU 241 Ca -0.49 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1hr6 h LEU 241 Cb 1.26 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1hr6 h LEU 241 CO 0.65 -0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.78 1hr6 n GLY 242 N -1.89 0.74 3.79 0.83 0.00 -1.25 -4.35 105.19 103.05 1hr6 n GLY 242 Ca 0.42 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1hr6 n GLY 242 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hr6 s SER 243 N -1.89 7.26 -0.32 1.61 1.04 0.37 -4.92 113.70 116.84 1hr6 s SER 243 Ca 0.33 1.83 -0.41 0.00 0.48 0.00 0.00 55.95 58.18 1hr6 s SER 243 Cb 0.20 -2.58 -0.16 0.00 0.10 0.00 0.00 66.02 63.59 1hr6 s SER 243 CO 0.31 -0.12 1.76 -0.81 0.98 0.00 0.00 173.24 175.36 1hr6 n PRO 244 N 0.39 0.95 -0.32 4.02 -0.04 -1.26 -4.87 135.00 133.87 1hr6 n PRO 244 Ca 0.03 0.34 0.09 0.00 -0.04 0.00 0.00 63.50 63.92 1hr6 n PRO 244 Cb 0.50 -2.02 0.30 0.00 -0.04 0.00 0.00 33.50 32.24 1hr6 n PRO 244 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1hr6 h ARG 245 N 7.23 0.84 0.00 0.54 9.65 -1.98 -3.48 114.38 127.18 1hr6 h ARG 245 Ca -0.44 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1hr6 h ARG 245 Cb 1.33 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 1hr6 h ARG 245 CO 0.97 0.56 0.00 0.41 2.80 0.00 0.00 179.97 184.71 1hr6 n GLY 246 N -1.38 -0.69 3.66 2.80 0.00 -1.26 -5.11 105.19 103.21 1hr6 n GLY 246 Ca 0.18 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1hr6 n GLY 246 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1hr6 s PRO 247 N -0.86 4.13 0.11 1.61 0.02 -1.26 -4.90 135.00 133.84 1hr6 s PRO 247 Ca 0.00 2.39 -0.36 0.00 0.02 0.00 0.00 61.00 63.05 1hr6 s PRO 247 Cb 0.00 -4.08 -0.16 0.00 0.02 0.00 0.00 34.50 30.27 1hr6 s PRO 247 CO 0.00 -0.94 1.31 1.28 -0.33 0.00 0.00 177.00 178.33 1hr6 n LEU 248 N 7.46 1.68 -4.64 -5.54 4.32 -1.26 -4.90 117.00 114.13 1hr6 n LEU 248 Ca 0.19 1.12 -0.35 0.00 -0.02 0.00 0.00 56.01 56.95 1hr6 n LEU 248 Cb 0.42 -1.20 0.10 0.00 -1.62 0.00 0.00 43.42 41.12 1hr6 n LEU 248 CO 0.65 -1.07 0.61 -2.65 -1.22 0.00 0.00 177.39 173.71 1hr6 n PRO 249 N 2.39 0.38 -5.20 3.23 -0.02 -1.26 -4.99 135.00 129.54 1hr6 n PRO 249 Ca 0.18 0.19 -0.31 0.00 -2.02 0.00 0.00 63.50 61.54 1hr6 n PRO 249 Cb 0.21 -2.30 -0.17 0.00 -0.02 0.00 0.00 33.50 31.22 1hr6 n PRO 249 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1hr6 s VAL 250 N -1.93 1.98 -0.21 -1.45 0.11 -1.26 -5.01 120.40 112.63 1hr6 s VAL 250 Ca 0.73 -1.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.48 1hr6 s VAL 250 Cb -0.32 -1.69 -0.01 0.00 -1.53 0.00 0.00 36.38 32.83 1hr6 s VAL 250 CO 0.51 0.55 1.29 0.12 -3.33 0.00 0.00 175.10 174.23 1hr6 s PHE 251 N 0.05 2.77 -0.24 1.54 2.19 -1.26 -4.61 117.98 118.41 1hr6 s PHE 251 Ca -0.09 0.95 -0.08 0.00 0.33 0.00 0.00 56.93 58.04 1hr6 s PHE 251 Cb -0.15 -3.65 -0.03 0.00 -1.31 0.00 0.00 43.02 37.87 1hr6 s PHE 251 CO 0.05 -1.74 0.09 0.00 1.83 0.00 0.00 175.22 175.45 1hr6 s ARG 253 N 1.41 4.22 0.00 0.00 1.70 -1.26 -4.31 118.95 120.70 1hr6 s ARG 253 Ca 0.06 1.70 0.00 0.00 -0.47 0.00 0.00 55.73 57.02 1hr6 s ARG 253 Cb -0.15 -2.73 0.00 0.00 -0.57 0.00 0.00 34.95 31.50 1hr6 s ARG 253 CO 0.04 -0.14 0.00 0.41 -1.08 0.00 0.00 175.30 174.53 1hr6 n GLY 254 N 0.64 -0.70 3.22 3.88 0.00 -1.22 -4.96 105.19 106.05 1hr6 n GLY 254 Ca 0.03 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1hr6 n GLY 254 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1hr6 s GLU 255 N -2.00 0.57 -0.18 1.61 -1.05 -1.26 -0.56 118.70 115.83 1hr6 s GLU 255 Ca 0.00 0.00 -0.05 0.00 -0.15 0.00 0.00 54.97 54.78 1hr6 s GLU 255 Cb 0.00 0.26 0.06 0.00 -0.44 0.00 0.00 34.13 34.01 1hr6 s GLU 255 CO 0.00 -0.14 0.08 0.50 0.95 0.00 0.00 175.26 176.65 1hr6 s ARG 256 N -0.85 0.18 -0.28 -4.83 3.52 -0.52 -4.96 118.95 111.21 1hr6 s ARG 256 Ca -0.09 -0.15 -0.14 0.00 -0.13 0.00 0.00 55.73 55.21 1hr6 s ARG 256 Cb -0.04 -1.88 -0.04 0.00 -1.56 0.00 0.00 34.95 31.43 1hr6 s ARG 256 CO 0.03 -0.67 0.35 -0.06 -0.81 0.00 0.00 175.30 174.14 1hr6 s PHE 257 N 2.08 3.24 -0.55 5.12 0.08 -1.26 -1.76 117.98 124.93 1hr6 s PHE 257 Ca 0.01 0.32 -0.04 0.00 0.12 0.00 0.00 56.93 57.34 1hr6 s PHE 257 Cb -0.16 -2.56 0.14 0.00 -0.57 0.00 0.00 43.02 39.87 1hr6 s PHE 257 CO -0.09 -0.25 0.37 0.42 -0.10 0.00 0.00 175.22 175.57 1hr6 s ILE 258 N 2.03 3.76 0.13 0.64 1.01 0.14 -4.98 121.20 123.93 1hr6 s ILE 258 Ca 0.14 -2.49 -0.31 0.00 0.00 0.00 0.00 60.65 57.98 1hr6 s ILE 258 Cb -0.16 -3.48 -0.08 0.00 0.01 0.00 0.00 42.46 38.74 1hr6 s ILE 258 CO 0.10 -0.82 1.42 -0.75 0.00 0.00 0.00 174.94 174.90 1hr6 s LYS 259 N 0.52 4.30 -0.46 2.79 2.20 -1.26 -1.52 119.74 126.30 1hr6 s LYS 259 Ca 0.13 2.13 0.07 0.00 -0.36 0.00 0.00 55.97 57.94 1hr6 s LYS 259 Cb -0.21 -3.22 0.18 0.00 -1.51 0.00 0.00 37.83 33.06 1hr6 s LYS 259 CO -0.04 -0.46 0.63 -2.00 -0.36 0.00 0.00 175.35 173.12 1hr6 s GLU 260 N 1.03 0.94 0.00 4.03 2.56 -0.27 -4.82 118.70 122.17 1hr6 s GLU 260 Ca 0.65 -0.90 0.11 0.00 0.00 0.00 0.00 54.97 54.84 1hr6 s GLU 260 Cb -0.38 -0.20 0.67 0.00 2.00 0.00 0.00 34.13 36.22 1hr6 s GLU 260 CO 0.31 -1.28 1.15 0.09 -0.56 0.00 0.00 175.26 174.98 1hr6 n ASN 261 N 3.52 0.00 0.07 -1.70 3.02 -1.26 -2.65 115.26 116.25 1hr6 n ASN 261 Ca 0.16 -0.88 0.06 0.00 -0.03 0.00 0.00 54.58 53.89 1hr6 n ASN 261 Cb 0.54 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 1hr6 n ASN 261 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1hr6 n THR 262 N -0.78 0.87 -2.22 3.41 -2.24 -1.26 -4.91 114.28 107.14 1hr6 n THR 262 Ca 0.08 -0.62 -0.41 0.00 -2.27 0.00 0.00 64.05 60.83 1hr6 n THR 262 Cb 0.04 -0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 1hr6 n THR 262 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1hr6 s LEU 263 N -5.53 4.41 0.26 3.22 1.43 -1.08 -4.95 118.68 116.44 1hr6 s LEU 263 Ca -0.02 2.38 0.10 0.00 -1.03 0.00 0.00 54.13 55.57 1hr6 s LEU 263 Cb 0.09 -3.61 0.30 0.00 0.03 0.00 0.00 46.19 43.01 1hr6 s LEU 263 CO 0.80 -0.53 1.58 -0.65 0.23 0.00 0.00 176.35 177.78 1hr6 h PRO 264 N 5.48 0.00 -6.55 1.29 0.11 -1.91 -3.43 132.00 126.99 1hr6 h PRO 264 Ca -0.44 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.03 1hr6 h PRO 264 Cb 1.21 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.09 1hr6 h PRO 264 CO 0.78 0.65 -0.86 0.95 -0.21 0.00 0.00 178.00 179.31 1hr6 s THR 265 N -3.51 2.00 -0.07 -1.15 -4.23 -1.26 -0.17 115.64 107.24 1hr6 s THR 265 Ca -0.01 -1.55 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 1hr6 s THR 265 Cb 0.12 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.17 1hr6 s THR 265 CO 0.77 0.12 -0.08 -0.89 -0.54 0.00 0.00 174.62 174.00 1hr6 s THR 266 N -1.00 3.62 -0.15 3.99 2.01 0.66 -4.70 115.64 120.07 1hr6 s THR 266 Ca 0.11 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.62 1hr6 s THR 266 Cb -0.10 -2.48 0.01 0.00 0.01 0.00 0.00 72.50 69.94 1hr6 s THR 266 CO 0.04 0.59 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.36 1hr6 s HIS 267 N -0.69 2.72 -0.05 4.92 3.76 0.18 -0.53 115.29 125.60 1hr6 s HIS 267 Ca 0.10 -1.35 0.04 0.00 -0.15 0.00 0.00 55.06 53.71 1hr6 s HIS 267 Cb -0.11 -1.85 -0.00 0.00 1.11 0.00 0.00 32.58 31.72 1hr6 s HIS 267 CO 0.02 -0.63 -0.17 0.42 -0.85 0.00 0.00 174.74 173.53 1hr6 s ILE 268 N 0.92 1.42 -0.10 0.60 1.09 0.37 -0.56 121.20 124.95 1hr6 s ILE 268 Ca -0.04 -0.70 0.02 0.00 -1.10 0.00 0.00 60.65 58.83 1hr6 s ILE 268 Cb -0.15 -1.22 0.01 0.00 -1.06 0.00 0.00 42.46 40.04 1hr6 s ILE 268 CO -0.04 0.41 -0.15 0.00 -0.10 0.00 0.00 174.94 175.06 1hr6 s ALA 269 N 0.11 1.61 -0.13 9.38 0.00 -0.45 0.18 121.76 132.45 1hr6 s ALA 269 Ca -0.05 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1hr6 s ALA 269 Cb -0.12 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.24 1hr6 s ALA 269 CO 0.03 -0.02 -0.21 0.42 0.00 0.00 0.00 175.76 175.97 1hr6 s ILE 270 N 0.90 1.99 0.12 0.00 1.01 -0.28 -1.77 121.20 123.16 1hr6 s ILE 270 Ca -0.09 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.66 1hr6 s ILE 270 Cb -0.15 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1hr6 s ILE 270 CO 0.00 0.54 -0.09 0.00 0.00 0.00 0.00 174.94 175.39 1hr6 s ALA 271 N 0.81 1.19 0.13 9.38 0.00 -0.57 -1.16 121.76 131.54 1hr6 s ALA 271 Ca -0.08 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.52 1hr6 s ALA 271 Cb -0.16 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1hr6 s ALA 271 CO -0.01 -0.13 -0.00 -0.51 0.00 0.00 0.00 175.76 175.10 1hr6 s LEU 272 N -2.95 2.16 0.15 0.00 1.02 -0.51 -1.62 118.68 116.93 1hr6 s LEU 272 Ca 0.12 -1.12 -0.33 0.00 0.02 0.00 0.00 54.13 52.82 1hr6 s LEU 272 Cb 0.02 0.09 -0.13 0.00 0.02 0.00 0.00 46.19 46.19 1hr6 s LEU 272 CO -0.02 -0.60 1.69 1.21 0.02 0.00 0.00 176.35 178.66 1hr6 n GLU 273 N -0.10 2.46 0.00 1.70 2.13 -1.26 -2.31 120.64 123.26 1hr6 n GLU 273 Ca -0.09 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1hr6 n GLU 273 Cb 0.62 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.62 1hr6 n GLU 273 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hr6 n GLY 274 N 3.81 1.64 3.28 8.31 0.00 0.38 -4.69 105.19 117.92 1hr6 n GLY 274 Ca 0.17 -1.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 1hr6 n GLY 274 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hr6 s VAL 275 N 3.00 1.75 0.52 1.61 0.11 -1.26 -4.52 120.40 121.62 1hr6 s VAL 275 Ca 0.00 -1.42 0.02 0.00 -2.93 0.00 0.00 61.98 57.65 1hr6 s VAL 275 Cb 0.00 -1.56 0.02 0.00 -1.53 0.00 0.00 36.38 33.31 1hr6 s VAL 275 CO 0.00 0.07 0.73 -0.94 -3.33 0.00 0.00 175.10 171.63 1hr6 s SER 276 N -1.60 5.42 0.32 3.54 1.04 -1.25 -3.86 113.70 117.31 1hr6 s SER 276 Ca 0.08 0.00 0.08 0.00 0.48 0.00 0.00 55.95 56.58 1hr6 s SER 276 Cb -0.10 -0.98 0.79 0.00 0.10 0.00 0.00 66.02 65.84 1hr6 s SER 276 CO 0.03 -1.01 1.78 -0.50 0.98 0.00 0.00 173.24 174.52 1hr6 h TRP 277 N 0.20 1.01 -0.02 5.02 4.06 -1.50 -1.92 115.95 122.80 1hr6 h TRP 277 Ca -0.43 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.56 1hr6 h TRP 277 Cb 1.29 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 29.14 1hr6 h TRP 277 CO 0.39 0.21 -0.17 -1.13 -3.56 0.00 0.00 178.44 174.18 1hr6 n SER 278 N -4.75 1.95 -4.61 -3.49 3.41 -1.26 -4.92 113.62 99.94 1hr6 n SER 278 Ca 0.24 -1.52 -0.45 0.00 -0.26 0.00 0.00 58.87 56.88 1hr6 n SER 278 Cb 0.61 0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.68 1hr6 n SER 278 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hr6 n ALA 279 N 0.29 0.04 0.23 7.33 0.00 -0.72 -4.84 120.51 122.83 1hr6 n ALA 279 Ca 0.14 0.41 0.06 0.00 0.00 0.00 0.00 53.44 54.05 1hr6 n ALA 279 Cb 0.45 -2.09 0.54 0.00 0.00 0.00 0.00 19.45 18.35 1hr6 n ALA 279 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1hr6 h PRO 280 N 2.79 0.00 -0.48 0.00 0.11 -1.93 -1.80 132.00 130.70 1hr6 h PRO 280 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1hr6 h PRO 280 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1hr6 h PRO 280 CO 0.66 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.19 1hr6 n ASP 281 N -4.33 2.54 -0.23 -2.05 5.75 -1.26 -4.60 116.55 112.37 1hr6 n ASP 281 Ca -0.03 -2.00 -0.09 0.00 -0.01 0.00 0.00 54.79 52.67 1hr6 n ASP 281 Cb 0.21 -0.32 -0.04 0.00 -1.03 0.00 0.00 41.12 39.94 1hr6 n ASP 281 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1hr6 h TYR 282 N 2.77 -1.36 -0.35 2.11 3.20 -1.61 0.53 116.97 122.25 1hr6 h TYR 282 Ca 0.00 0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 1hr6 h TYR 282 Cb 0.64 0.68 -0.02 0.00 1.54 0.00 0.00 36.73 39.57 1hr6 h TYR 282 CO 0.32 -0.42 -0.14 0.74 -1.64 0.00 0.00 178.16 177.02 1hr6 h PHE 283 N -0.21 0.68 -0.38 -3.82 0.04 -1.84 -2.06 116.94 109.36 1hr6 h PHE 283 Ca 0.18 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 1hr6 h PHE 283 Cb 0.55 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 1hr6 h PHE 283 CO -0.75 0.74 0.15 0.28 -0.60 0.00 0.00 178.31 178.12 1hr6 h VAL 284 N 0.57 1.15 -0.38 -0.55 2.07 -1.48 0.32 116.25 117.95 1hr6 h VAL 284 Ca 0.10 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1hr6 h VAL 284 Cb 0.57 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1hr6 h VAL 284 CO 0.04 0.18 0.09 0.00 0.02 0.00 0.00 177.57 177.89 1hr6 h ALA 285 N 1.63 0.51 -0.36 1.67 0.00 -0.26 -0.73 119.26 121.71 1hr6 h ALA 285 Ca 0.13 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1hr6 h ALA 285 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1hr6 h ALA 285 CO -0.01 0.19 -0.19 -0.07 0.00 0.00 0.00 179.25 179.17 1hr6 h LEU 286 N 0.48 0.68 -0.68 0.00 3.38 -0.91 -1.19 115.31 117.06 1hr6 h LEU 286 Ca 0.12 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1hr6 h LEU 286 Cb 0.32 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1hr6 h LEU 286 CO 0.00 0.87 0.41 0.00 0.09 0.00 0.00 178.44 179.81 1hr6 h ALA 287 N 1.19 0.87 -0.10 1.53 0.00 -0.07 -0.37 119.26 122.30 1hr6 h ALA 287 Ca 0.09 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1hr6 h ALA 287 Cb 0.66 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1hr6 h ALA 287 CO 0.05 0.35 -0.48 1.15 0.00 0.00 0.00 179.25 180.31 1hr6 h THR 288 N 0.93 1.34 -0.29 0.00 2.02 -0.72 -1.46 112.91 114.72 1hr6 h THR 288 Ca 0.24 -1.70 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 1hr6 h THR 288 Cb -0.02 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1hr6 h THR 288 CO -0.05 0.51 0.16 -0.61 0.37 0.00 0.00 175.52 175.90 1hr6 h GLN 289 N 0.21 0.41 -0.01 6.66 4.15 -0.54 -2.46 115.11 123.52 1hr6 h GLN 289 Ca 0.01 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 1hr6 h GLN 289 Cb 0.93 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 1hr6 h GLN 289 CO 0.08 0.35 -0.22 0.00 -1.93 0.00 0.00 178.83 177.11 1hr6 h ALA 290 N 1.03 1.61 -0.24 3.38 0.00 -0.77 0.25 119.26 124.51 1hr6 h ALA 290 Ca 0.10 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1hr6 h ALA 290 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1hr6 h ALA 290 CO -0.02 0.29 -0.29 0.82 0.00 0.00 0.00 179.25 180.06 1hr6 h ILE 291 N 0.02 1.27 0.23 0.00 2.04 -0.81 -3.00 117.51 117.26 1hr6 h ILE 291 Ca 0.00 -1.34 -0.32 0.00 1.00 0.00 0.00 64.86 64.21 1hr6 h ILE 291 Cb 0.41 1.40 0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1hr6 h ILE 291 CO 0.03 0.42 -1.45 0.58 0.00 0.00 0.00 178.15 177.73 1hr6 h VAL 292 N 0.42 1.24 -1.00 1.67 2.07 -1.21 -3.49 116.25 115.95 1hr6 h VAL 292 Ca 0.06 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 64.94 1hr6 h VAL 292 Cb 0.72 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1hr6 h VAL 292 CO 0.05 0.80 0.00 0.61 0.02 0.00 0.00 177.57 179.06 1hr6 n GLY 293 N 1.74 0.52 3.70 2.17 0.00 0.04 -4.95 105.19 108.40 1hr6 n GLY 293 Ca -0.18 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 1hr6 n GLY 293 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hr6 s ASN 294 N -4.00 4.03 -0.27 1.61 -0.87 -1.26 -3.15 114.94 111.02 1hr6 s ASN 294 Ca 0.00 -1.50 -0.25 0.00 -1.57 0.00 0.00 52.86 49.54 1hr6 s ASN 294 Cb 0.00 0.06 0.09 0.00 -0.02 0.00 0.00 41.25 41.38 1hr6 s ASN 294 CO 0.00 -0.66 0.85 0.86 -2.57 0.00 0.00 177.10 175.59 1hr6 s TRP 295 N -2.79 -0.65 -0.06 2.20 -0.00 -0.49 -4.55 118.94 112.60 1hr6 s TRP 295 Ca 0.21 1.59 0.01 0.00 -0.00 0.00 0.00 56.10 57.90 1hr6 s TRP 295 Cb 0.06 0.31 0.02 0.00 -0.00 0.00 0.00 33.47 33.86 1hr6 s TRP 295 CO 0.11 -0.32 -0.04 0.34 -0.00 0.00 0.00 176.95 177.04 1hr6 s ASP 296 N 0.29 1.26 0.35 5.86 -1.08 0.05 -1.18 116.67 122.22 1hr6 s ASP 296 Ca 0.01 -0.15 0.17 0.00 -0.52 0.00 0.00 52.55 52.07 1hr6 s ASP 296 Cb -0.05 -0.51 1.21 0.00 -1.46 0.00 0.00 42.92 42.11 1hr6 s ASP 296 CO -0.02 -0.08 1.62 -0.09 0.52 0.00 0.00 175.17 177.12 1hr6 h ARG 297 N 7.49 0.15 0.02 4.34 2.43 -1.35 0.46 114.38 127.92 1hr6 h ARG 297 Ca -0.33 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 58.60 1hr6 h ARG 297 Cb 1.15 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 1hr6 h ARG 297 CO 0.42 0.10 -1.29 0.00 -1.51 0.00 0.00 179.97 177.69 1hr6 h ALA 298 N 1.93 0.27 0.00 2.80 0.00 -1.97 -3.41 119.26 118.88 1hr6 h ALA 298 Ca 0.79 -1.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 1hr6 h ALA 298 Cb 1.95 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 20.39 1hr6 h ALA 298 CO -0.70 0.75 -0.84 0.82 0.00 0.00 0.00 179.25 179.28 1hr6 h ILE 299 N -0.82 1.36 0.00 0.00 1.08 -1.87 -3.50 117.51 113.75 1hr6 h ILE 299 Ca -0.34 -2.93 0.00 0.00 -0.39 0.00 0.00 64.86 61.20 1hr6 h ILE 299 Cb 1.41 2.67 0.00 0.00 -3.07 0.00 0.00 36.82 37.82 1hr6 h ILE 299 CO -0.15 0.77 0.00 0.61 -0.69 0.00 0.00 178.15 178.70 1hr6 n GLY 300 N 1.31 0.66 0.00 5.37 0.00 0.16 -4.51 105.19 108.19 1hr6 n GLY 300 Ca 0.00 -1.55 0.08 0.00 0.00 0.00 0.00 46.02 44.55 1hr6 n GLY 300 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hr6 n THR 301 N 0.00 0.00 -1.00 2.61 -2.24 -1.26 -0.77 114.28 111.61 1hr6 n THR 301 Ca 0.00 -0.27 -0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1hr6 n THR 301 Cb 0.00 0.48 -0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1hr6 n THR 301 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hr6 n GLY 302 N 1.51 0.41 3.12 3.38 0.00 -1.26 -4.73 105.19 107.61 1hr6 n GLY 302 Ca -0.01 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 1hr6 n GLY 302 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hr6 s THR 303 N -2.01 1.00 0.24 2.61 2.01 -1.26 -5.05 115.64 113.19 1hr6 s THR 303 Ca 0.00 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 1hr6 s THR 303 Cb 0.00 -0.92 0.13 0.00 0.01 0.00 0.00 72.50 71.72 1hr6 s THR 303 CO 0.00 -0.02 1.76 -1.13 -0.69 0.00 0.00 174.62 174.54 1hr6 h ASN 304 N 4.98 0.91 -3.62 3.53 -0.73 -2.04 -3.40 115.58 115.21 1hr6 h ASN 304 Ca -0.37 -0.19 -0.64 0.00 1.87 0.00 0.00 56.30 56.97 1hr6 h ASN 304 Cb 1.18 -0.24 -0.37 0.00 0.27 0.00 0.00 38.32 39.16 1hr6 h ASN 304 CO 0.44 0.90 -0.80 -0.44 -0.37 0.00 0.00 177.43 177.15 1hr6 s SER 305 N -6.54 3.90 0.48 1.15 0.01 -1.26 -5.13 113.70 106.32 1hr6 s SER 305 Ca -0.11 -1.14 -0.22 0.00 1.31 0.00 0.00 55.95 55.79 1hr6 s SER 305 Cb 0.15 -1.37 -0.07 0.00 0.21 0.00 0.00 66.02 64.94 1hr6 s SER 305 CO 0.82 -0.17 1.13 -2.84 0.41 0.00 0.00 173.24 172.59 1hr6 s PRO 306 N 1.27 3.71 0.84 12.44 0.02 -1.26 -5.06 135.00 146.96 1hr6 s PRO 306 Ca -0.05 1.66 -0.12 0.00 0.02 0.00 0.00 61.00 62.51 1hr6 s PRO 306 Cb -0.18 -2.29 0.10 0.00 0.02 0.00 0.00 34.50 32.15 1hr6 s PRO 306 CO -0.07 -0.57 1.11 -1.54 -0.33 0.00 0.00 177.00 175.60 1hr6 s SER 307 N -1.55 4.09 0.46 2.53 1.04 -1.26 -4.82 113.70 114.19 1hr6 s SER 307 Ca 0.66 1.23 0.12 0.00 0.48 0.00 0.00 55.95 58.44 1hr6 s SER 307 Cb -0.25 -1.92 1.05 0.00 0.10 0.00 0.00 66.02 65.00 1hr6 s SER 307 CO 0.30 -2.21 2.08 -0.65 0.98 0.00 0.00 173.24 173.74 1hr6 h PRO 308 N -1.26 0.22 -0.10 4.02 0.11 -1.99 -0.99 132.00 132.01 1hr6 h PRO 308 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1hr6 h PRO 308 Cb 1.29 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1hr6 h PRO 308 CO 0.59 0.18 0.02 1.25 -0.21 0.00 0.00 178.00 179.84 1hr6 h LEU 309 N 0.22 0.15 -0.74 2.35 5.85 -1.91 -0.21 115.31 121.02 1hr6 h LEU 309 Ca 0.06 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1hr6 h LEU 309 Cb 0.05 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1hr6 h LEU 309 CO -0.01 0.34 0.47 0.00 -0.34 0.00 0.00 178.44 178.90 1hr6 h ALA 310 N 0.81 0.94 0.24 1.25 0.00 -1.73 0.18 119.26 120.95 1hr6 h ALA 310 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1hr6 h ALA 310 Cb 0.25 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1hr6 h ALA 310 CO 0.00 0.38 -0.12 0.28 0.00 0.00 0.00 179.25 179.80 1hr6 h VAL 311 N 1.00 0.76 -0.53 0.00 2.07 -1.07 -1.52 116.25 116.96 1hr6 h VAL 311 Ca 0.27 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.83 1hr6 h VAL 311 Cb -0.07 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1hr6 h VAL 311 CO -0.05 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.80 1hr6 h ALA 312 N 0.43 0.69 -0.83 1.67 0.00 -0.66 -0.90 119.26 119.66 1hr6 h ALA 312 Ca -0.03 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.02 1hr6 h ALA 312 Cb 0.26 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 1hr6 h ALA 312 CO 0.05 -0.10 0.45 0.00 0.00 0.00 0.00 179.25 179.66 1hr6 h ALA 313 N 1.30 1.21 0.00 0.00 0.00 -0.40 -1.76 119.26 119.60 1hr6 h ALA 313 Ca 0.24 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1hr6 h ALA 313 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1hr6 h ALA 313 CO -0.19 0.01 -0.13 0.66 0.00 0.00 0.00 179.25 179.61 1hr6 h SER 314 N 0.71 0.00 -4.24 0.00 4.64 -0.52 0.23 113.55 114.37 1hr6 h SER 314 Ca 0.42 -0.02 -0.49 0.00 -0.47 0.00 0.00 61.79 61.24 1hr6 h SER 314 Cb 0.48 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.69 1hr6 h SER 314 CO -0.30 0.01 0.32 -1.10 -0.87 0.00 0.00 176.83 174.89 1hr6 s GLN 315 N -3.18 1.89 -0.26 4.77 -0.21 -0.41 -3.79 119.66 118.46 1hr6 s GLN 315 Ca 0.07 0.69 -0.01 0.00 0.02 0.00 0.00 55.36 56.13 1hr6 s GLN 315 Cb 0.08 -1.89 0.00 0.00 1.00 0.00 0.00 33.01 32.20 1hr6 s GLN 315 CO 0.66 -1.77 0.20 0.27 -2.12 0.00 0.00 175.29 172.53 1hr6 n ASN 316 N -3.54 -1.59 0.00 5.90 6.94 -1.26 -0.91 115.26 120.79 1hr6 n ASN 316 Ca 0.07 -0.31 0.00 0.00 -0.02 0.00 0.00 54.58 54.32 1hr6 n ASN 316 Cb 0.56 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 1hr6 n ASN 316 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hr6 n GLY 317 N -0.82 3.16 0.00 4.83 0.00 -1.26 -4.83 105.19 106.28 1hr6 n GLY 317 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1hr6 n GLY 317 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hr6 n SER 318 N 0.08 -0.04 -0.02 1.61 3.41 -0.09 -4.95 113.62 113.62 1hr6 n SER 318 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1hr6 n SER 318 Cb 0.00 0.05 -0.11 0.00 -0.26 0.00 0.00 64.21 63.89 1hr6 n SER 318 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1hr6 n LEU 319 N -0.06 1.02 -3.89 1.04 4.77 0.79 -4.95 117.00 115.71 1hr6 n LEU 319 Ca 0.00 -0.51 -0.01 0.00 -0.03 0.00 0.00 56.01 55.46 1hr6 n LEU 319 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1hr6 n LEU 319 CO 0.00 0.25 0.90 0.00 -1.33 0.00 0.00 177.39 177.21 1hr6 s ALA 320 N -2.93 -1.87 -0.06 -1.18 0.00 -1.26 -4.50 121.76 109.95 1hr6 s ALA 320 Ca 0.08 -0.16 0.13 0.00 0.00 0.00 0.00 51.96 52.02 1hr6 s ALA 320 Cb 0.16 0.77 -0.22 0.00 0.00 0.00 0.00 23.12 23.83 1hr6 s ALA 320 CO 0.84 -1.09 0.63 0.09 0.00 0.00 0.00 175.76 176.23 1hr6 n ASN 321 N -1.11 0.80 -3.63 0.00 3.02 0.50 -4.69 115.26 110.15 1hr6 n ASN 321 Ca -0.02 0.38 -0.02 0.00 -0.03 0.00 0.00 54.58 54.89 1hr6 n ASN 321 Cb 0.59 0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.80 1hr6 n ASN 321 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1hr6 s SER 322 N -6.00 -0.04 0.01 6.41 1.04 -0.79 -1.02 113.70 113.30 1hr6 s SER 322 Ca -0.05 -0.00 -0.07 0.00 0.48 0.00 0.00 55.95 56.31 1hr6 s SER 322 Cb 0.08 0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.24 1hr6 s SER 322 CO 0.82 -0.08 0.13 -0.72 0.98 0.00 0.00 173.24 174.37 1hr6 s TYR 323 N -2.13 0.08 -0.08 5.02 -0.85 -0.33 -1.04 117.35 118.02 1hr6 s TYR 323 Ca 0.11 -0.23 -0.03 0.00 -0.52 0.00 0.00 57.07 56.40 1hr6 s TYR 323 Cb -0.01 -0.07 0.05 0.00 0.38 0.00 0.00 41.96 42.31 1hr6 s TYR 323 CO -0.03 -0.31 0.16 1.41 -1.52 0.00 0.00 175.55 175.26 1hr6 s MET 324 N -1.69 0.05 0.29 -3.49 1.75 0.81 -1.40 119.30 115.63 1hr6 s MET 324 Ca -0.12 0.53 -0.28 0.00 -1.25 0.00 0.00 55.69 54.56 1hr6 s MET 324 Cb -0.06 -0.25 -0.09 0.00 2.84 0.00 0.00 34.83 37.27 1hr6 s MET 324 CO 0.00 -0.28 1.00 -1.12 -0.65 0.00 0.00 175.02 173.97 1hr6 s SER 325 N 2.05 7.35 0.03 1.11 0.01 -1.19 0.11 113.70 123.18 1hr6 s SER 325 Ca 0.00 2.02 -0.02 0.00 1.31 0.00 0.00 55.95 59.26 1hr6 s SER 325 Cb -0.12 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.48 1hr6 s SER 325 CO -0.06 -0.06 0.01 0.72 0.41 0.00 0.00 173.24 174.25 1hr6 s PHE 326 N -1.35 0.31 -0.21 2.43 -0.12 0.48 -4.92 117.98 114.60 1hr6 s PHE 326 Ca 0.46 -0.66 -0.04 0.00 -0.05 0.00 0.00 56.93 56.64 1hr6 s PHE 326 Cb -0.25 -0.23 0.11 0.00 -0.63 0.00 0.00 43.02 42.01 1hr6 s PHE 326 CO 0.32 -0.29 0.30 0.45 -0.05 0.00 0.00 175.22 175.95 1hr6 s SER 327 N -2.04 0.68 -0.09 1.98 0.15 -1.26 -0.67 113.70 112.45 1hr6 s SER 327 Ca -0.07 0.13 -0.01 0.00 0.70 0.00 0.00 55.95 56.70 1hr6 s SER 327 Cb -0.03 0.79 -0.03 0.00 -1.71 0.00 0.00 66.02 65.04 1hr6 s SER 327 CO -0.04 -0.30 -0.04 -0.89 1.20 0.00 0.00 173.24 173.17 1hr6 s THR 328 N 2.45 3.95 0.06 6.45 2.01 0.33 -4.96 115.64 125.92 1hr6 s THR 328 Ca 0.08 -0.38 0.08 0.00 0.31 0.00 0.00 61.69 61.78 1hr6 s THR 328 Cb -0.15 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1hr6 s THR 328 CO -0.13 0.58 -0.21 -0.44 -0.69 0.00 0.00 174.62 173.73 1hr6 s SER 329 N -0.62 2.53 0.23 3.53 0.01 -1.26 -0.48 113.70 117.64 1hr6 s SER 329 Ca 0.10 -0.56 0.04 0.00 1.31 0.00 0.00 55.95 56.83 1hr6 s SER 329 Cb -0.12 -0.19 -0.05 0.00 0.21 0.00 0.00 66.02 65.87 1hr6 s SER 329 CO 0.02 0.14 -0.00 -0.31 0.41 0.00 0.00 173.24 173.50 1hr6 s TYR 330 N -0.88 1.57 0.34 2.43 2.02 0.17 -4.83 117.35 118.18 1hr6 s TYR 330 Ca 0.07 -0.92 0.04 0.00 -0.37 0.00 0.00 57.07 55.89 1hr6 s TYR 330 Cb -0.09 -0.91 0.65 0.00 -0.40 0.00 0.00 41.96 41.21 1hr6 s TYR 330 CO 0.02 -0.03 1.94 0.00 -1.57 0.00 0.00 175.55 175.91 1hr6 h ALA 331 N 2.46 1.62 -0.06 3.71 0.00 -1.95 -1.63 119.26 123.40 1hr6 h ALA 331 Ca -0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1hr6 h ALA 331 Cb 1.22 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1hr6 h ALA 331 CO 0.65 0.26 0.00 -0.40 0.00 0.00 0.00 179.25 179.76 1hr6 n ASP 332 N -4.48 1.97 -3.31 0.00 5.68 -1.26 -4.39 116.55 110.76 1hr6 n ASP 332 Ca 0.12 -1.77 -0.06 0.00 -0.50 0.00 0.00 54.79 52.58 1hr6 n ASP 332 Cb 0.21 -0.04 0.01 0.00 -1.14 0.00 0.00 41.12 40.16 1hr6 n ASP 332 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1hr6 s SER 333 N -0.80 -0.05 -0.05 -1.12 0.15 -1.18 -4.56 113.70 106.10 1hr6 s SER 333 Ca 0.05 -0.80 -0.29 0.00 0.70 0.00 0.00 55.95 55.61 1hr6 s SER 333 Cb 0.03 0.65 0.11 0.00 -1.71 0.00 0.00 66.02 65.09 1hr6 s SER 333 CO 0.04 -1.26 0.92 -0.83 1.20 0.00 0.00 173.24 173.31 1hr6 s GLY 334 N -3.17 -0.42 -0.00 9.45 0.00 -1.25 0.44 107.32 112.37 1hr6 s GLY 334 Ca 0.17 1.25 0.06 0.00 0.00 0.00 0.00 44.72 46.20 1hr6 s GLY 334 CO 0.07 0.50 -0.19 1.08 0.00 0.00 0.00 173.10 174.56 1hr6 s LEU 335 N -2.17 2.06 -0.02 0.66 1.43 0.37 0.14 118.68 121.16 1hr6 s LEU 335 Ca 0.04 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1hr6 s LEU 335 Cb -0.01 -0.97 0.02 0.00 0.03 0.00 0.00 46.19 45.27 1hr6 s LEU 335 CO -0.06 0.21 0.02 0.86 0.23 0.00 0.00 176.35 177.61 1hr6 s TRP 336 N -0.52 0.10 -0.51 0.29 -0.00 -0.98 0.12 118.94 117.44 1hr6 s TRP 336 Ca 0.07 0.07 0.00 0.00 -0.00 0.00 0.00 56.10 56.25 1hr6 s TRP 336 Cb -0.08 -0.24 0.00 0.00 -0.00 0.00 0.00 33.47 33.15 1hr6 s TRP 336 CO -0.00 -0.08 0.00 0.41 -0.00 0.00 0.00 176.95 177.28 1hr6 n GLY 337 N 3.97 -0.70 3.11 5.86 0.00 0.16 -1.43 105.19 116.16 1hr6 n GLY 337 Ca -0.25 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 1hr6 n GLY 337 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1hr6 s MET 338 N -0.21 1.58 -0.20 1.61 1.75 -0.30 -0.39 119.30 123.14 1hr6 s MET 338 Ca 0.00 -0.54 -0.05 0.00 -1.25 0.00 0.00 55.69 53.85 1hr6 s MET 338 Cb 0.00 -1.39 -0.02 0.00 2.84 0.00 0.00 34.83 36.25 1hr6 s MET 338 CO 0.00 0.22 -0.00 -0.47 -0.65 0.00 0.00 175.02 174.12 1hr6 s TYR 339 N 0.05 3.03 0.02 4.11 5.04 0.12 -1.12 117.35 128.59 1hr6 s TYR 339 Ca -0.03 -0.50 0.08 0.00 -2.44 0.00 0.00 57.07 54.19 1hr6 s TYR 339 Cb -0.11 -2.09 -0.03 0.00 0.35 0.00 0.00 41.96 40.09 1hr6 s TYR 339 CO 0.02 -0.27 -0.25 0.42 -1.34 0.00 0.00 175.55 174.13 1hr6 s ILE 340 N 1.05 2.23 -0.12 3.14 1.01 0.48 -0.13 121.20 128.86 1hr6 s ILE 340 Ca 0.02 -1.23 0.01 0.00 0.00 0.00 0.00 60.65 59.45 1hr6 s ILE 340 Cb -0.14 -1.84 0.02 0.00 0.01 0.00 0.00 42.46 40.50 1hr6 s ILE 340 CO 0.01 0.45 -0.12 -0.69 0.00 0.00 0.00 174.94 174.60 1hr6 s VAL 341 N -0.74 1.33 0.36 2.92 1.01 -0.21 -0.47 120.40 124.59 1hr6 s VAL 341 Ca 0.11 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.65 1hr6 s VAL 341 Cb -0.10 -1.26 -0.07 0.00 0.00 0.00 0.00 36.38 34.95 1hr6 s VAL 341 CO 0.01 0.41 -0.00 0.42 0.00 0.00 0.00 175.10 175.94 1hr6 s THR 342 N 1.34 1.78 -0.24 3.92 -4.23 0.31 -0.37 115.64 118.14 1hr6 s THR 342 Ca -0.00 -2.05 -0.24 0.00 -1.18 0.00 0.00 61.69 58.22 1hr6 s THR 342 Cb -0.14 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.88 1hr6 s THR 342 CO -0.06 -0.07 0.82 -0.62 -0.54 0.00 0.00 174.62 174.14 1hr6 s ASP 343 N -3.60 6.82 0.49 3.99 -1.08 -1.26 -0.24 116.67 121.78 1hr6 s ASP 343 Ca 0.34 1.01 0.24 0.00 -0.52 0.00 0.00 52.55 53.62 1hr6 s ASP 343 Cb 0.08 -2.43 1.30 0.00 -1.46 0.00 0.00 42.92 40.40 1hr6 s ASP 343 CO 0.16 -0.51 1.93 0.28 0.52 0.00 0.00 175.17 177.55 1hr6 h SER 344 N 7.69 0.15 0.09 -0.34 0.02 -0.84 -2.20 113.55 118.12 1hr6 h SER 344 Ca -0.23 0.01 -0.35 0.00 -0.84 0.00 0.00 61.79 60.38 1hr6 h SER 344 Cb 1.09 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.55 1hr6 h SER 344 CO 0.87 0.07 -2.26 0.59 -1.14 0.00 0.00 176.83 174.96 1hr6 n ASN 345 N -4.39 0.16 -0.02 3.07 3.02 -1.26 -4.70 115.26 111.14 1hr6 n ASN 345 Ca 0.15 0.08 0.01 0.00 -0.03 0.00 0.00 54.58 54.79 1hr6 n ASN 345 Cb 0.71 0.81 -0.13 0.00 -0.61 0.00 0.00 39.78 40.55 1hr6 n ASN 345 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1hr6 n GLU 346 N -2.80 0.66 -4.26 3.52 4.07 -1.11 -5.00 120.64 115.71 1hr6 n GLU 346 Ca -0.30 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.45 1hr6 n GLU 346 Cb 1.13 -1.62 -0.09 0.00 -0.06 0.00 0.00 31.44 30.81 1hr6 n GLU 346 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1hr6 s HIS 347 N -3.00 3.25 -0.71 4.31 3.76 -0.85 -5.01 115.29 117.05 1hr6 s HIS 347 Ca -0.07 0.26 -0.17 0.00 -0.15 0.00 0.00 55.06 54.93 1hr6 s HIS 347 Cb 0.10 -1.81 0.14 0.00 1.11 0.00 0.00 32.58 32.11 1hr6 s HIS 347 CO 0.85 0.53 0.77 1.21 -0.85 0.00 0.00 174.74 177.25 1hr6 s ASN 348 N -0.96 6.42 0.35 1.40 3.84 -1.26 -4.87 114.94 119.84 1hr6 s ASN 348 Ca 0.14 -1.92 0.15 0.00 0.21 0.00 0.00 52.86 51.44 1hr6 s ASN 348 Cb -0.11 -2.28 1.14 0.00 -0.55 0.00 0.00 41.25 39.45 1hr6 s ASN 348 CO 0.03 -0.93 1.62 0.58 -2.79 0.00 0.00 177.10 175.61 1hr6 h VAL 349 N 5.60 0.15 -0.98 -5.21 2.07 -1.88 0.96 116.25 116.95 1hr6 h VAL 349 Ca -0.11 -0.05 0.18 0.00 0.82 0.00 0.00 66.70 67.54 1hr6 h VAL 349 Cb 1.07 -0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 30.73 1hr6 h VAL 349 CO 1.00 0.03 0.61 -0.09 0.02 0.00 0.00 177.57 179.14 1hr6 h ARG 350 N 0.15 0.69 -0.51 1.57 2.43 -1.86 -1.34 114.38 115.51 1hr6 h ARG 350 Ca 0.76 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.83 1hr6 h ARG 350 Cb 1.84 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 31.22 1hr6 h ARG 350 CO -0.71 0.46 0.11 -0.07 -1.51 0.00 0.00 179.97 178.25 1hr6 h LEU 351 N 0.71 0.79 -0.51 3.80 3.38 -1.14 -0.89 115.31 121.44 1hr6 h LEU 351 Ca 0.54 -0.24 -0.17 0.00 0.09 0.00 0.00 57.88 58.10 1hr6 h LEU 351 Cb 0.90 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1hr6 h LEU 351 CO -0.31 0.83 -0.70 -0.29 0.09 0.00 0.00 178.44 178.06 1hr6 h ILE 352 N 0.71 1.41 -0.56 1.22 6.09 -1.47 -2.82 117.51 122.09 1hr6 h ILE 352 Ca 0.16 -2.18 -0.04 0.00 -1.37 0.00 0.00 64.86 61.43 1hr6 h ILE 352 Cb 0.36 2.14 -0.02 0.00 0.47 0.00 0.00 36.82 39.76 1hr6 h ILE 352 CO 0.00 0.64 0.19 0.58 -3.07 0.00 0.00 178.15 176.49 1hr6 h VAL 353 N 0.18 1.23 -0.51 2.19 2.07 -1.12 -1.57 116.25 118.72 1hr6 h VAL 353 Ca -0.02 -0.78 0.08 0.00 0.82 0.00 0.00 66.70 66.80 1hr6 h VAL 353 Cb 1.25 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 1hr6 h VAL 353 CO 0.11 0.29 0.14 0.78 0.02 0.00 0.00 177.57 178.92 1hr6 h ASN 354 N 0.78 0.10 -0.48 0.57 -0.26 -1.01 -0.93 115.58 114.36 1hr6 h ASN 354 Ca 0.18 0.08 -0.05 0.00 -0.56 0.00 0.00 56.30 55.95 1hr6 h ASN 354 Cb 0.26 0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.58 1hr6 h ASN 354 CO -0.01 0.08 0.15 -0.33 -1.06 0.00 0.00 177.43 176.26 1hr6 h GLU 355 N 0.30 0.82 -0.35 0.81 4.39 -1.22 0.46 114.58 119.78 1hr6 h GLU 355 Ca 0.25 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 1hr6 h GLU 355 Cb 0.31 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1hr6 h GLU 355 CO -0.29 0.72 0.00 0.82 -1.16 0.00 0.00 179.01 179.11 1hr6 h ILE 356 N 0.79 1.26 -0.74 3.13 2.04 -0.53 -0.92 117.51 122.54 1hr6 h ILE 356 Ca 0.18 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 1hr6 h ILE 356 Cb 0.26 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1hr6 h ILE 356 CO -0.00 0.32 0.23 -0.07 0.00 0.00 0.00 178.15 178.63 1hr6 h LEU 357 N 0.43 1.07 -1.12 1.44 3.38 -0.84 -0.97 115.31 118.69 1hr6 h LEU 357 Ca 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1hr6 h LEU 357 Cb 0.45 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1hr6 h LEU 357 CO 0.02 0.99 0.54 0.50 0.09 0.00 0.00 178.44 180.57 1hr6 h LYS 358 N 1.10 1.13 -0.38 1.13 3.64 -0.67 0.64 116.57 123.16 1hr6 h LYS 358 Ca 0.24 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 1hr6 h LYS 358 Cb 0.30 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1hr6 h LYS 358 CO -0.01 0.77 -0.22 1.49 -2.27 0.00 0.00 179.45 179.21 1hr6 h GLU 359 N 1.15 0.82 -0.83 1.90 4.57 -0.53 -0.20 114.58 121.47 1hr6 h GLU 359 Ca 0.31 -0.38 -0.04 0.00 -1.18 0.00 0.00 59.36 58.07 1hr6 h GLU 359 Cb -0.09 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 1hr6 h GLU 359 CO -0.06 1.01 0.37 -1.49 -1.18 0.00 0.00 179.01 177.66 1hr6 h TRP 360 N 0.63 1.22 0.00 0.92 6.55 -0.59 -1.77 115.95 122.91 1hr6 h TRP 360 Ca 0.08 -0.07 -0.07 0.00 0.95 0.00 0.00 58.89 59.78 1hr6 h TRP 360 Cb 0.78 -0.37 -0.01 0.00 -0.86 0.00 0.00 29.16 28.70 1hr6 h TRP 360 CO 0.06 0.90 -0.32 0.87 -1.05 0.00 0.00 178.44 178.90 1hr6 h LYS 361 N 1.19 0.00 -0.52 0.49 1.57 -0.58 -1.15 116.57 117.57 1hr6 h LYS 361 Ca 0.28 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1hr6 h LYS 361 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1hr6 h LYS 361 CO -0.03 0.32 0.24 -0.09 -0.57 0.00 0.00 179.45 179.31 1hr6 h ARG 362 N 0.00 0.76 0.09 3.15 2.43 -0.18 0.12 114.38 120.74 1hr6 h ARG 362 Ca -0.00 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1hr6 h ARG 362 Cb 0.63 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1hr6 h ARG 362 CO 0.04 0.64 -0.04 0.82 -1.51 0.00 0.00 179.97 179.92 1hr6 h ILE 363 N 0.70 1.05 -0.77 1.20 2.04 -0.92 -2.20 117.51 118.60 1hr6 h ILE 363 Ca 0.18 -0.47 0.14 0.00 1.00 0.00 0.00 64.86 65.71 1hr6 h ILE 363 Cb 0.14 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 1hr6 h ILE 363 CO -0.02 0.12 0.51 0.11 0.00 0.00 0.00 178.15 178.87 1hr6 h LYS 364 N -0.33 0.46 -0.00 2.37 1.57 -0.98 0.38 116.57 120.04 1hr6 h LYS 364 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1hr6 h LYS 364 Cb 0.28 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1hr6 h LYS 364 CO 0.02 0.30 0.00 -1.13 -0.57 0.00 0.00 179.45 178.07 1hr6 n SER 365 N -4.49 0.17 0.00 0.86 3.41 0.38 -4.84 113.62 109.10 1hr6 n SER 365 Ca 0.14 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 1hr6 n SER 365 Cb 0.50 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1hr6 n SER 365 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hr6 n GLY 366 N 1.02 0.73 2.41 5.00 0.00 0.13 -4.93 105.19 109.55 1hr6 n GLY 366 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 1hr6 n GLY 366 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hr6 n LYS 367 N -2.06 3.26 -4.35 1.61 4.01 -0.86 -4.85 118.16 114.93 1hr6 n LYS 367 Ca 0.00 -2.03 -0.19 0.00 -0.51 0.00 0.00 58.31 55.57 1hr6 n LYS 367 Cb 0.02 -2.74 -0.13 0.00 -0.51 0.00 0.00 35.03 31.67 1hr6 n LYS 367 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1hr6 s ILE 368 N 2.54 1.00 0.57 -0.18 -4.36 -1.26 -4.80 121.20 114.71 1hr6 s ILE 368 Ca 0.62 -0.89 -0.08 0.00 -0.26 0.00 0.00 60.65 60.03 1hr6 s ILE 368 Cb 0.16 -0.91 -0.03 0.00 1.25 0.00 0.00 42.46 42.93 1hr6 s ILE 368 CO -0.05 0.02 0.92 -0.94 0.24 0.00 0.00 174.94 175.13 1hr6 s SER 369 N -0.99 6.14 0.28 4.36 1.04 -1.26 -4.96 113.70 118.30 1hr6 s SER 369 Ca 0.01 1.14 -0.03 0.00 0.48 0.00 0.00 55.95 57.56 1hr6 s SER 369 Cb -0.07 -2.28 0.38 0.00 0.10 0.00 0.00 66.02 64.15 1hr6 s SER 369 CO 0.01 -0.80 1.87 0.44 0.98 0.00 0.00 173.24 175.74 1hr6 h ASP 370 N -0.11 0.89 0.01 7.02 3.32 -2.00 -2.68 116.42 122.89 1hr6 h ASP 370 Ca -0.45 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 56.51 1hr6 h ASP 370 Cb 1.21 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1hr6 h ASP 370 CO 0.62 0.77 -0.10 0.00 -1.72 0.00 0.00 179.24 178.80 1hr6 h ALA 371 N 1.37 -0.13 0.00 3.45 0.00 -1.99 0.02 119.26 121.98 1hr6 h ALA 371 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1hr6 h ALA 371 Cb 0.12 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1hr6 h ALA 371 CO -0.03 -0.60 -0.03 1.05 0.00 0.00 0.00 179.25 179.64 1hr6 h GLU 372 N -0.19 0.00 -0.04 0.00 4.11 -1.90 -0.35 114.58 116.22 1hr6 h GLU 372 Ca 0.03 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.40 1hr6 h GLU 372 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1hr6 h GLU 372 CO -0.10 0.03 -0.24 0.28 0.07 0.00 0.00 179.01 179.05 1hr6 h VAL 373 N 0.00 1.48 -0.64 -1.06 2.07 -1.09 -2.28 116.25 114.72 1hr6 h VAL 373 Ca -0.00 -1.75 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 1hr6 h VAL 373 Cb 0.49 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 1hr6 h VAL 373 CO 0.00 0.49 0.32 0.78 0.02 0.00 0.00 177.57 179.18 1hr6 h ASN 374 N -0.35 0.81 -0.05 0.57 -0.26 -0.62 -0.24 115.58 115.45 1hr6 h ASN 374 Ca -0.02 -0.08 -0.00 0.00 -0.56 0.00 0.00 56.30 55.64 1hr6 h ASN 374 Cb 0.92 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 37.97 1hr6 h ASN 374 CO 0.05 0.68 0.02 -0.09 -1.06 0.00 0.00 177.43 177.03 1hr6 h ARG 375 N 0.90 0.07 -0.51 0.81 2.43 -1.08 -1.09 114.38 115.91 1hr6 h ARG 375 Ca 0.22 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1hr6 h ARG 375 Cb 0.08 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1hr6 h ARG 375 CO -0.03 0.16 0.30 0.00 -1.51 0.00 0.00 179.97 178.89 1hr6 h ALA 376 N 0.90 0.65 -0.52 2.80 0.00 -0.90 0.17 119.26 122.35 1hr6 h ALA 376 Ca 0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1hr6 h ALA 376 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1hr6 h ALA 376 CO -0.00 -0.00 0.07 0.87 0.00 0.00 0.00 179.25 180.18 1hr6 h LYS 377 N 0.60 0.84 -0.29 0.00 1.57 -0.86 -0.24 116.57 118.18 1hr6 h LYS 377 Ca 0.20 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1hr6 h LYS 377 Cb 0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1hr6 h LYS 377 CO -0.10 0.79 -0.02 0.00 -0.57 0.00 0.00 179.45 179.55 1hr6 h ALA 378 N 1.28 0.40 -0.25 3.86 0.00 -0.48 0.38 119.26 124.44 1hr6 h ALA 378 Ca 0.16 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1hr6 h ALA 378 Cb 0.38 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1hr6 h ALA 378 CO 0.01 0.17 0.09 0.37 0.00 0.00 0.00 179.25 179.89 1hr6 h GLN 379 N 0.31 0.20 -0.30 0.00 4.15 -0.26 -1.83 115.11 117.38 1hr6 h GLN 379 Ca 0.08 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1hr6 h GLN 379 Cb 0.48 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 1hr6 h GLN 379 CO 0.02 0.13 0.19 1.25 -1.93 0.00 0.00 178.83 178.49 1hr6 h LEU 380 N 0.20 0.35 -0.62 -2.39 5.85 -0.91 -0.77 115.31 117.02 1hr6 h LEU 380 Ca 0.11 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1hr6 h LEU 380 Cb 0.08 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 1hr6 h LEU 380 CO -0.11 0.28 0.30 0.11 -0.34 0.00 0.00 178.44 178.67 1hr6 h LYS 381 N 0.39 0.53 0.00 1.25 1.57 -0.66 0.01 116.57 119.66 1hr6 h LYS 381 Ca 0.11 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1hr6 h LYS 381 Cb -0.01 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1hr6 h LYS 381 CO -0.02 0.35 -0.00 0.00 -0.57 0.00 0.00 179.45 179.21 1hr6 h ALA 382 N 1.36 -0.00 -0.72 3.86 0.00 -1.08 0.20 119.26 122.89 1hr6 h ALA 382 Ca 0.29 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1hr6 h ALA 382 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1hr6 h ALA 382 CO -0.23 -0.39 0.39 0.00 0.00 0.00 0.00 179.25 179.03 1hr6 h ALA 383 N 0.77 0.99 0.04 0.00 0.00 -0.78 -0.68 119.26 119.59 1hr6 h ALA 383 Ca -0.00 0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1hr6 h ALA 383 Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1hr6 h ALA 383 CO 0.00 0.05 -1.06 -0.07 0.00 0.00 0.00 179.25 178.17 1hr6 h LEU 384 N 0.70 0.17 0.00 0.00 3.38 -0.89 -3.38 115.31 115.29 1hr6 h LEU 384 Ca 0.34 -0.17 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 1hr6 h LEU 384 Cb 0.27 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1hr6 h LEU 384 CO -0.22 1.11 -1.75 0.18 0.09 0.00 0.00 178.44 177.86 1hr6 n LEU 385 N -3.45 2.97 0.12 1.67 4.77 0.70 -4.40 117.00 119.38 1hr6 n LEU 385 Ca -0.03 -0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.00 1hr6 n LEU 385 Cb 0.95 -0.46 0.47 0.00 -2.33 0.00 0.00 43.42 42.05 1hr6 n LEU 385 CO 0.49 0.72 0.87 0.18 -1.33 0.00 0.00 177.39 178.32 1hr6 n LEU 386 N -2.89 0.70 0.20 2.23 4.77 -0.28 -2.18 117.00 119.56 1hr6 n LEU 386 Ca -0.23 0.64 0.12 0.00 -0.03 0.00 0.00 56.01 56.50 1hr6 n LEU 386 Cb 0.75 -0.51 0.14 0.00 -2.33 0.00 0.00 43.42 41.47 1hr6 n LEU 386 CO 0.13 -0.45 0.67 0.77 -1.33 0.00 0.00 177.39 177.18 1hr6 h SER 387 N 0.00 0.00 -0.10 -1.43 4.64 -1.73 -3.38 113.55 111.56 1hr6 h SER 387 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 1hr6 h SER 387 Cb 0.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1hr6 h SER 387 CO 0.00 0.02 2.60 0.18 -0.87 0.00 0.00 176.83 178.76 1hr6 n LEU 388 N -3.04 5.37 -0.09 5.97 4.77 -0.92 -4.56 117.00 124.50 1hr6 n LEU 388 Ca 0.03 -3.57 -0.12 0.00 -0.03 0.00 0.00 56.01 52.32 1hr6 n LEU 388 Cb 0.54 -1.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.13 1hr6 n LEU 388 CO 0.35 0.26 -0.78 -0.67 -1.33 0.00 0.00 177.39 175.22 1hr6 n ASP 389 N 7.35 1.89 -4.92 -1.43 -0.08 -1.26 -4.86 116.55 113.24 1hr6 n ASP 389 Ca 0.50 0.32 -0.26 0.00 -1.51 0.00 0.00 54.79 53.84 1hr6 n ASP 389 Cb 0.41 -0.73 0.06 0.00 2.34 0.00 0.00 41.12 43.20 1hr6 n ASP 389 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1hr6 s GLY 390 N -4.98 1.67 0.33 0.27 0.00 -1.26 -4.91 107.32 98.44 1hr6 s GLY 390 Ca -0.29 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1hr6 s GLY 390 CO 0.42 -0.46 1.99 1.48 0.00 0.00 0.00 173.10 176.52 1hr6 h SER 391 N -0.56 0.83 -0.04 1.64 4.64 -1.96 -1.48 113.55 116.61 1hr6 h SER 391 Ca -0.45 -0.02 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1hr6 h SER 391 Cb 1.31 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1hr6 h SER 391 CO 0.61 0.60 -0.04 0.74 -0.87 0.00 0.00 176.83 177.87 1hr6 h THR 392 N 0.98 0.87 -0.33 2.95 2.02 -1.92 0.31 112.91 117.79 1hr6 h THR 392 Ca 0.26 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.37 1hr6 h THR 392 Cb -0.11 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1hr6 h THR 392 CO -0.06 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.74 1hr6 h ALA 393 N 0.98 1.23 -0.17 6.16 0.00 -1.80 -0.46 119.26 125.20 1hr6 h ALA 393 Ca 0.03 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1hr6 h ALA 393 Cb 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1hr6 h ALA 393 CO -0.08 0.50 -0.35 0.82 0.00 0.00 0.00 179.25 180.14 1hr6 h ILE 394 N 0.51 1.35 -0.67 0.00 2.04 -0.96 -1.85 117.51 117.92 1hr6 h ILE 394 Ca 0.10 -1.60 0.01 0.00 1.00 0.00 0.00 64.86 64.36 1hr6 h ILE 394 Cb 0.47 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.47 1hr6 h ILE 394 CO 0.03 0.49 0.44 0.58 0.00 0.00 0.00 178.15 179.69 1hr6 h VAL 395 N 0.18 1.17 -0.73 1.67 2.07 -0.20 0.88 116.25 121.29 1hr6 h VAL 395 Ca 0.00 -0.32 0.12 0.00 0.82 0.00 0.00 66.70 67.32 1hr6 h VAL 395 Cb 0.95 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1hr6 h VAL 395 CO 0.08 0.17 0.32 -0.08 0.02 0.00 0.00 177.57 178.08 1hr6 h GLU 396 N 0.91 0.49 -0.18 1.57 4.57 -0.92 0.25 114.58 121.27 1hr6 h GLU 396 Ca 0.25 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 58.20 1hr6 h GLU 396 Cb -0.10 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 28.38 1hr6 h GLU 396 CO -0.05 0.33 -0.65 0.22 -1.18 0.00 0.00 179.01 177.67 1hr6 h ASP 397 N 0.51 0.88 0.84 1.04 3.58 -0.43 -1.97 116.42 120.87 1hr6 h ASP 397 Ca 0.39 -0.60 -0.04 0.00 0.42 0.00 0.00 57.03 57.19 1hr6 h ASP 397 Cb 0.52 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.32 1hr6 h ASP 397 CO -0.35 1.34 -0.40 0.40 -2.88 0.00 0.00 179.24 177.35 1hr6 h ILE 398 N 0.48 0.00 -0.07 2.25 2.04 -0.27 -2.08 117.51 119.87 1hr6 h ILE 398 Ca -0.03 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1hr6 h ILE 398 Cb 1.28 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 1hr6 h ILE 398 CO 0.14 0.00 -0.52 1.23 0.00 0.00 0.00 178.15 179.00 1hr6 h GLY 399 N -1.20 -1.03 0.85 5.37 0.00 -0.61 -0.95 103.07 105.51 1hr6 h GLY 399 Ca -0.11 0.64 0.03 0.00 0.00 0.00 0.00 47.33 47.89 1hr6 h GLY 399 CO 0.19 -0.22 0.37 -0.09 0.00 0.00 0.00 176.54 176.79 1hr6 h ARG 400 N -0.61 0.70 -0.22 4.80 2.43 -1.44 0.10 114.38 120.14 1hr6 h ARG 400 Ca 0.03 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1hr6 h ARG 400 Cb 0.69 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1hr6 h ARG 400 CO -0.39 0.46 0.12 1.96 -1.51 0.00 0.00 179.97 180.61 1hr6 h GLN 401 N 0.72 0.31 0.11 0.20 4.20 -1.08 -1.61 115.11 117.96 1hr6 h GLN 401 Ca 0.25 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1hr6 h GLN 401 Cb 0.04 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1hr6 h GLN 401 CO -0.11 0.30 -0.05 0.28 -0.67 0.00 0.00 178.83 178.58 1hr6 h VAL 402 N 0.24 1.09 0.00 -0.54 2.07 -0.99 0.28 116.25 118.40 1hr6 h VAL 402 Ca 0.08 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1hr6 h VAL 402 Cb 0.08 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1hr6 h VAL 402 CO -0.01 0.20 -0.03 1.62 0.02 0.00 0.00 177.57 179.37 1hr6 h VAL 403 N -0.55 0.79 -0.00 2.57 3.04 -0.99 0.78 116.25 121.88 1hr6 h VAL 403 Ca -0.01 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 1hr6 h VAL 403 Cb 0.44 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 1hr6 h VAL 403 CO 0.02 0.03 -0.54 0.35 -1.01 0.00 0.00 177.57 176.43 1hr6 n THR 404 N -4.16 0.00 0.00 3.17 -2.24 -0.61 -4.71 114.28 105.74 1hr6 n THR 404 Ca -0.03 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1hr6 n THR 404 Cb 0.12 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 1hr6 n THR 404 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1hr6 n THR 405 N -0.86 0.00 -0.27 4.28 -1.04 0.97 -4.72 114.28 112.65 1hr6 n THR 405 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1hr6 n THR 405 Cb 0.26 0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 1hr6 n THR 405 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hr6 n GLY 406 N 1.04 0.91 3.56 3.41 0.00 0.27 -3.92 105.19 110.45 1hr6 n GLY 406 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1hr6 n GLY 406 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hr6 s LYS 407 N -0.57 1.43 -0.23 1.61 -2.85 -1.25 -4.88 119.74 112.99 1hr6 s LYS 407 Ca 0.00 -0.81 0.02 0.00 -1.00 0.00 0.00 55.97 54.18 1hr6 s LYS 407 Cb 0.00 0.55 0.04 0.00 -2.06 0.00 0.00 37.83 36.36 1hr6 s LYS 407 CO 0.00 -0.62 -0.14 0.50 0.10 0.00 0.00 175.35 175.19 1hr6 s ARG 408 N -3.86 2.51 0.11 1.78 3.00 -1.26 -3.19 118.95 118.05 1hr6 s ARG 408 Ca 0.08 -1.12 -0.30 0.00 -1.00 0.00 0.00 55.73 53.39 1hr6 s ARG 408 Cb -0.02 -2.73 -0.07 0.00 0.00 0.00 0.00 34.95 32.13 1hr6 s ARG 408 CO -0.03 -0.42 1.18 -0.51 0.00 0.00 0.00 175.30 175.51 1hr6 s LEU 409 N 1.19 4.41 0.90 -0.88 1.43 -1.26 -5.00 118.68 119.47 1hr6 s LEU 409 Ca -0.03 2.08 -0.12 0.00 -1.03 0.00 0.00 54.13 55.03 1hr6 s LEU 409 Cb -0.17 -3.59 0.13 0.00 0.03 0.00 0.00 46.19 42.59 1hr6 s LEU 409 CO -0.08 -0.40 1.10 -0.94 0.23 0.00 0.00 176.35 176.26 1hr6 s SER 410 N 0.60 3.50 0.17 2.29 1.04 -1.26 -4.71 113.70 115.33 1hr6 s SER 410 Ca 0.55 1.35 -0.14 0.00 0.48 0.00 0.00 55.95 58.19 1hr6 s SER 410 Cb -0.30 -2.02 0.12 0.00 0.10 0.00 0.00 66.02 63.91 1hr6 s SER 410 CO 0.32 -2.60 1.75 -0.65 0.98 0.00 0.00 173.24 173.04 1hr6 h PRO 411 N -1.52 0.30 -0.85 4.02 0.11 -1.96 0.35 132.00 132.44 1hr6 h PRO 411 Ca -0.50 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.60 1hr6 h PRO 411 Cb 1.29 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1hr6 h PRO 411 CO 0.57 0.20 0.56 0.93 -0.21 0.00 0.00 178.00 180.04 1hr6 h GLU 412 N 0.31 1.13 -0.17 1.05 3.07 -1.98 0.24 114.58 118.23 1hr6 h GLU 412 Ca 0.20 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.94 1hr6 h GLU 412 Cb 0.20 -0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1hr6 h GLU 412 CO -0.21 0.75 -0.08 0.93 -1.40 0.00 0.00 179.01 179.00 1hr6 h GLU 413 N 1.16 0.35 -0.71 2.33 5.08 -1.58 -2.10 114.58 119.10 1hr6 h GLU 413 Ca 0.31 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1hr6 h GLU 413 Cb -0.12 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 1hr6 h GLU 413 CO -0.07 0.66 0.46 0.28 -1.00 0.00 0.00 179.01 179.34 1hr6 h VAL 414 N 0.03 1.14 -0.28 3.13 2.07 0.17 -0.80 116.25 121.72 1hr6 h VAL 414 Ca 0.04 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.31 1hr6 h VAL 414 Cb 0.55 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 1hr6 h VAL 414 CO 0.02 0.17 -0.15 0.15 0.02 0.00 0.00 177.57 177.79 1hr6 h PHE 415 N 0.92 -0.36 -0.54 1.57 3.04 -0.41 -1.60 116.94 119.57 1hr6 h PHE 415 Ca 0.27 0.03 0.05 0.00 3.98 0.00 0.00 57.97 62.31 1hr6 h PHE 415 Cb -0.04 0.20 -0.05 0.00 2.56 0.00 0.00 35.95 38.62 1hr6 h PHE 415 CO -0.03 -0.22 0.26 1.49 -2.02 0.00 0.00 178.31 177.79 1hr6 h GLU 416 N -0.11 0.49 -0.32 1.11 4.57 -0.77 0.36 114.58 119.91 1hr6 h GLU 416 Ca 0.15 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1hr6 h GLU 416 Cb 0.34 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1hr6 h GLU 416 CO -0.35 0.32 0.22 1.96 -1.18 0.00 0.00 179.01 179.98 1hr6 h GLN 417 N 0.50 0.37 0.15 1.92 1.08 -0.29 -2.25 115.11 116.60 1hr6 h GLN 417 Ca 0.24 -0.02 -0.31 0.00 -1.45 0.00 0.00 58.65 57.11 1hr6 h GLN 417 Cb 0.17 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1hr6 h GLN 417 CO -0.18 0.25 -1.58 0.28 -0.95 0.00 0.00 178.83 176.65 1hr6 h VAL 418 N 0.39 0.99 -0.55 -0.54 2.07 -0.39 -3.36 116.25 114.86 1hr6 h VAL 418 Ca 0.13 -2.46 0.14 0.00 0.82 0.00 0.00 66.70 65.33 1hr6 h VAL 418 Cb 0.03 2.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 1hr6 h VAL 418 CO -0.03 0.79 0.38 -0.78 0.02 0.00 0.00 177.57 177.95 1hr6 h ASP 419 N -0.09 0.11 0.53 0.57 3.58 -0.01 -1.81 116.42 119.29 1hr6 h ASP 419 Ca -0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.13 1hr6 h ASP 419 Cb 1.93 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.97 1hr6 h ASP 419 CO 0.12 0.06 -0.14 2.29 -2.88 0.00 0.00 179.24 178.70 1hr6 n LYS 420 N -4.41 0.42 -1.86 0.28 2.85 -0.87 -4.90 118.16 109.66 1hr6 n LYS 420 Ca 0.10 -0.13 -0.40 0.00 -1.05 0.00 0.00 58.31 56.83 1hr6 n LYS 420 Cb 0.54 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.44 1hr6 n LYS 420 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1hr6 s ILE 421 N -2.67 2.20 0.25 0.58 1.01 -0.68 -5.01 121.20 116.87 1hr6 s ILE 421 Ca 0.23 0.18 0.10 0.00 0.00 0.00 0.00 60.65 61.16 1hr6 s ILE 421 Cb 0.19 -3.10 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 1hr6 s ILE 421 CO 0.52 0.02 -0.17 0.42 0.00 0.00 0.00 174.94 175.73 1hr6 s THR 422 N -1.23 2.13 0.29 2.92 -4.23 -1.26 -5.00 115.64 109.26 1hr6 s THR 422 Ca 0.61 -2.31 0.02 0.00 -1.18 0.00 0.00 61.69 58.83 1hr6 s THR 422 Cb -0.42 -2.21 0.29 0.00 1.34 0.00 0.00 72.50 71.49 1hr6 s THR 422 CO 0.54 -0.47 1.84 0.50 -0.54 0.00 0.00 174.62 176.49 1hr6 h LYS 423 N 2.38 0.96 -0.30 3.99 3.64 -1.98 -0.70 116.57 124.57 1hr6 h LYS 423 Ca -0.39 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.90 1hr6 h LYS 423 Cb 1.24 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1hr6 h LYS 423 CO 0.61 0.64 0.06 0.22 -2.27 0.00 0.00 179.45 178.71 1hr6 h ASP 424 N 0.99 0.46 -0.60 4.20 3.58 -1.99 -1.08 116.42 121.99 1hr6 h ASP 424 Ca 0.49 -0.25 0.12 0.00 0.42 0.00 0.00 57.03 57.81 1hr6 h ASP 424 Cb 0.48 -0.12 -0.09 0.00 1.72 0.00 0.00 39.33 41.31 1hr6 h ASP 424 CO -0.25 0.59 0.06 0.44 -2.88 0.00 0.00 179.24 177.20 1hr6 h ASP 425 N 0.31 -0.14 -0.07 2.28 3.32 -1.54 0.72 116.42 121.31 1hr6 h ASP 425 Ca 0.09 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1hr6 h ASP 425 Cb 0.32 0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1hr6 h ASP 425 CO 0.00 -0.06 0.03 0.40 -1.72 0.00 0.00 179.24 177.89 1hr6 h ILE 426 N 0.18 1.14 -0.62 0.35 2.04 -1.10 -0.40 117.51 119.10 1hr6 h ILE 426 Ca 0.31 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1hr6 h ILE 426 Cb 0.49 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1hr6 h ILE 426 CO -0.46 0.12 0.36 0.40 0.00 0.00 0.00 178.15 178.57 1hr6 h ILE 427 N -0.05 1.02 0.17 -0.67 2.04 -0.48 -1.16 117.51 118.37 1hr6 h ILE 427 Ca 0.02 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1hr6 h ILE 427 Cb 0.17 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1hr6 h ILE 427 CO -0.00 0.13 -0.23 0.24 0.00 0.00 0.00 178.15 178.29 1hr6 h MET 428 N 0.69 -0.44 -0.92 2.37 2.86 -0.69 -1.71 114.93 117.10 1hr6 h MET 428 Ca 0.27 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 58.02 1hr6 h MET 428 Cb 0.10 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.80 1hr6 h MET 428 CO -0.14 -0.29 0.59 2.35 1.06 0.00 0.00 176.91 180.48 1hr6 h TRP 429 N -0.45 1.03 -0.33 -0.22 7.01 -0.57 -0.84 115.95 121.58 1hr6 h TRP 429 Ca 0.01 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.89 1hr6 h TRP 429 Cb 0.45 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 1hr6 h TRP 429 CO -0.19 0.50 -0.40 0.00 -2.79 0.00 0.00 178.44 175.56 1hr6 h ALA 430 N 1.53 0.67 0.00 2.65 0.00 -0.93 -0.47 119.26 122.71 1hr6 h ALA 430 Ca 0.41 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1hr6 h ALA 430 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1hr6 h ALA 430 CO -0.17 0.67 -0.39 -0.91 0.00 0.00 0.00 179.25 178.45 1hr6 h ASN 431 N 0.65 0.00 0.11 0.00 2.35 -0.58 0.34 115.58 118.46 1hr6 h ASN 431 Ca 0.05 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.60 1hr6 h ASN 431 Cb 0.96 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.34 1hr6 h ASN 431 CO 0.09 0.39 -0.95 0.22 -1.65 0.00 0.00 177.43 175.53 1hr6 h TYR 432 N 0.00 0.43 0.00 1.19 3.20 -0.97 -3.29 116.97 117.53 1hr6 h TYR 432 Ca -0.00 -0.31 -0.10 0.00 3.14 0.00 0.00 58.73 61.45 1hr6 h TYR 432 Cb 0.76 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 1hr6 h TYR 432 CO 0.00 1.37 -0.99 0.00 -1.64 0.00 0.00 178.16 176.90 1hr6 h ARG 433 N -0.45 0.00 -0.16 1.82 2.47 -1.09 -3.38 114.38 113.59 1hr6 h ARG 433 Ca -0.19 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.50 1hr6 h ARG 433 Cb 1.60 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.90 1hr6 h ARG 433 CO 0.09 0.25 -0.04 1.28 0.56 0.00 0.00 179.97 182.10 1hr6 n LEU 434 N -2.94 3.30 -3.89 3.04 4.77 0.12 -4.77 117.00 116.63 1hr6 n LEU 434 Ca -0.04 -3.20 -0.23 0.00 -0.03 0.00 0.00 56.01 52.51 1hr6 n LEU 434 Cb 0.72 -0.52 -0.17 0.00 -2.33 0.00 0.00 43.42 41.13 1hr6 n LEU 434 CO 0.41 0.81 -0.42 -1.58 -1.33 0.00 0.00 177.39 175.28 1hr6 s GLN 435 N -2.93 1.07 -1.30 3.23 2.00 -1.24 -4.69 119.66 115.80 1hr6 s GLN 435 Ca 0.39 -0.14 -0.07 0.00 -2.00 0.00 0.00 55.36 53.54 1hr6 s GLN 435 Cb 0.33 -1.11 -0.00 0.00 0.80 0.00 0.00 33.01 33.02 1hr6 s GLN 435 CO 0.05 -0.15 0.60 0.09 -0.50 0.00 0.00 175.29 175.37 1hr6 n ASN 436 N 4.43 -2.10 -4.13 6.67 3.02 -1.26 -4.86 115.26 117.03 1hr6 n ASN 436 Ca -0.18 -0.97 -0.14 0.00 -0.03 0.00 0.00 54.58 53.26 1hr6 n ASN 436 Cb 0.51 -3.37 -0.11 0.00 -0.61 0.00 0.00 39.78 36.20 1hr6 n ASN 436 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1hr6 s LYS 437 N -6.24 0.71 0.48 3.52 -0.14 -1.26 -5.12 119.74 111.68 1hr6 s LYS 437 Ca 0.16 -0.98 -0.22 0.00 -1.36 0.00 0.00 55.97 53.57 1hr6 s LYS 437 Cb -0.06 -0.44 -0.07 0.00 -1.68 0.00 0.00 37.83 35.58 1hr6 s LYS 437 CO 0.86 0.07 1.12 -1.25 -0.76 0.00 0.00 175.35 175.40 1hr6 s PRO 438 N -2.23 3.72 0.00 -1.68 0.04 -1.26 -5.01 135.00 128.58 1hr6 s PRO 438 Ca -0.02 1.65 0.02 0.00 0.04 0.00 0.00 61.00 62.69 1hr6 s PRO 438 Cb -0.06 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 1hr6 s PRO 438 CO -0.00 -0.55 -0.08 0.14 0.04 0.00 0.00 177.00 176.55 1hr6 s VAL 439 N -1.67 0.62 0.16 -0.36 -7.23 -1.26 -4.15 120.40 106.50 1hr6 s VAL 439 Ca 0.66 -0.44 0.10 0.00 -1.81 0.00 0.00 61.98 60.48 1hr6 s VAL 439 Cb -0.25 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.11 1hr6 s VAL 439 CO 0.30 0.10 -0.20 -0.94 -0.31 0.00 0.00 175.10 174.05 1hr6 s SER 440 N -0.39 3.71 -0.01 4.85 1.04 -0.64 -3.43 113.70 118.84 1hr6 s SER 440 Ca 0.01 -0.70 -0.10 0.00 0.48 0.00 0.00 55.95 55.65 1hr6 s SER 440 Cb -0.04 -0.43 0.01 0.00 0.10 0.00 0.00 66.02 65.66 1hr6 s SER 440 CO -0.00 0.14 0.21 -0.32 0.98 0.00 0.00 173.24 174.25 1hr6 s MET 441 N -2.44 0.54 -0.03 4.02 1.75 0.28 -1.51 119.30 121.90 1hr6 s MET 441 Ca 0.20 -0.27 0.02 0.00 -1.25 0.00 0.00 55.69 54.38 1hr6 s MET 441 Cb -0.09 0.23 0.01 0.00 2.84 0.00 0.00 34.83 37.82 1hr6 s MET 441 CO 0.10 -0.13 -0.05 0.08 -0.65 0.00 0.00 175.02 174.37 1hr6 s VAL 442 N -1.24 0.52 -0.04 10.11 1.01 -0.73 -1.43 120.40 128.60 1hr6 s VAL 442 Ca -0.13 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1hr6 s VAL 442 Cb -0.06 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.83 1hr6 s VAL 442 CO 0.02 0.19 -0.07 0.00 0.00 0.00 0.00 175.10 175.24 1hr6 s ALA 443 N 0.42 0.81 -0.09 5.51 0.00 -0.72 -1.34 121.76 126.35 1hr6 s ALA 443 Ca -0.05 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.70 1hr6 s ALA 443 Cb -0.09 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1hr6 s ALA 443 CO -0.00 0.07 -0.11 -1.17 0.00 0.00 0.00 175.76 174.56 1hr6 s LEU 444 N 0.54 1.49 0.00 0.00 2.96 0.28 0.24 118.68 124.18 1hr6 s LEU 444 Ca -0.08 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1hr6 s LEU 444 Cb -0.12 -0.86 0.00 0.00 0.50 0.00 0.00 46.19 45.72 1hr6 s LEU 444 CO 0.01 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.62 1hr6 n GLY 445 N 4.26 0.15 3.54 7.98 0.00 -0.58 -0.65 105.19 119.89 1hr6 n GLY 445 Ca -0.19 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 1hr6 n GLY 445 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hr6 s ASN 446 N -4.00 6.59 0.15 1.61 3.84 -1.26 -1.11 114.94 120.77 1hr6 s ASN 446 Ca 0.00 -1.77 0.22 0.00 0.21 0.00 0.00 52.86 51.52 1hr6 s ASN 446 Cb 0.00 -2.53 0.88 0.00 -0.55 0.00 0.00 41.25 39.05 1hr6 s ASN 446 CO 0.00 -1.34 1.67 1.07 -2.79 0.00 0.00 177.10 175.71 1hr6 n THR 447 N 6.45 0.76 0.27 -5.21 5.66 -1.26 -3.95 114.28 117.00 1hr6 n THR 447 Ca 0.33 0.14 0.14 0.00 -3.05 0.00 0.00 64.05 61.62 1hr6 n THR 447 Cb 0.50 -0.97 0.85 0.00 -1.55 0.00 0.00 70.33 69.16 1hr6 n THR 447 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1hr6 h SER 448 N 0.00 0.00 0.02 1.09 4.64 -1.99 -2.75 113.55 114.55 1hr6 h SER 448 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hr6 h SER 448 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1hr6 h SER 448 CO 0.00 0.00 -0.91 1.07 -0.87 0.00 0.00 176.83 176.12 1hr6 n THR 449 N -3.96 0.00 -2.40 2.95 5.66 -1.25 -4.97 114.28 110.30 1hr6 n THR 449 Ca -0.02 -0.04 -0.42 0.00 -3.05 0.00 0.00 64.05 60.52 1hr6 n THR 449 Cb 0.14 1.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.90 1hr6 n THR 449 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1hr6 s VAL 450 N -2.93 4.16 0.68 1.08 1.01 -1.04 -2.60 120.40 120.77 1hr6 s VAL 450 Ca 0.10 1.48 -0.13 0.00 0.00 0.00 0.00 61.98 63.43 1hr6 s VAL 450 Cb 0.16 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1hr6 s VAL 450 CO 0.82 -0.04 1.07 -2.16 0.00 0.00 0.00 175.10 174.80 1hr6 s PRO 451 N 2.61 2.87 0.75 2.72 0.04 -1.26 -4.98 135.00 137.75 1hr6 s PRO 451 Ca 0.57 1.13 -0.13 0.00 0.04 0.00 0.00 61.00 62.61 1hr6 s PRO 451 Cb -0.25 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.37 1hr6 s PRO 451 CO 0.21 -1.16 1.14 1.21 0.04 0.00 0.00 177.00 178.43 1hr6 s ASN 452 N -3.27 4.30 0.20 6.66 3.84 -1.26 -4.90 114.94 120.51 1hr6 s ASN 452 Ca 0.61 2.09 -0.06 0.00 0.21 0.00 0.00 52.86 55.72 1hr6 s ASN 452 Cb -0.16 -2.56 0.13 0.00 -0.55 0.00 0.00 41.25 38.12 1hr6 s ASN 452 CO 0.49 -2.18 1.62 0.58 -2.79 0.00 0.00 177.10 174.81 1hr6 h VAL 453 N -0.69 1.27 0.00 -5.21 2.07 -1.94 -1.81 116.25 109.93 1hr6 h VAL 453 Ca -0.46 -1.31 -0.07 0.00 0.82 0.00 0.00 66.70 65.68 1hr6 h VAL 453 Cb 1.26 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1hr6 h VAL 453 CO 0.50 0.45 -0.34 0.77 0.02 0.00 0.00 177.57 178.97 1hr6 h SER 454 N 0.76 0.00 -0.01 0.57 4.64 -1.93 -1.80 113.55 115.78 1hr6 h SER 454 Ca 0.11 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1hr6 h SER 454 Cb 0.71 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1hr6 h SER 454 CO 0.05 0.34 0.00 0.22 -0.87 0.00 0.00 176.83 176.57 1hr6 h TYR 455 N 0.00 0.02 -0.16 4.77 5.03 -1.80 -0.38 116.97 124.45 1hr6 h TYR 455 Ca -0.00 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.33 1hr6 h TYR 455 Cb 0.83 -0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.07 1hr6 h TYR 455 CO 0.00 0.18 -0.01 0.82 -1.32 0.00 0.00 178.16 177.83 1hr6 h ILE 456 N -0.16 0.87 -0.81 1.81 2.04 -1.10 -1.39 117.51 118.78 1hr6 h ILE 456 Ca 0.00 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1hr6 h ILE 456 Cb 0.17 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1hr6 h ILE 456 CO -0.00 0.01 0.48 -0.33 0.00 0.00 0.00 178.15 178.31 1hr6 h GLU 457 N 0.03 1.10 0.36 2.37 5.08 -1.26 0.75 114.58 123.01 1hr6 h GLU 457 Ca 0.08 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1hr6 h GLU 457 Cb 0.10 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1hr6 h GLU 457 CO -0.14 0.78 -0.30 1.49 -1.00 0.00 0.00 179.01 179.84 1hr6 h GLU 458 N 1.11 -0.65 -0.86 2.33 4.81 -0.54 -0.42 114.58 120.37 1hr6 h GLU 458 Ca 0.29 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1hr6 h GLU 458 Cb -0.03 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1hr6 h GLU 458 CO -0.05 -0.43 0.55 0.87 -0.73 0.00 0.00 179.01 179.22 1hr6 h LYS 459 N -0.67 1.14 0.01 1.92 1.79 -1.00 -0.35 116.57 119.41 1hr6 h LYS 459 Ca -0.03 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1hr6 h LYS 459 Cb 0.59 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1hr6 h LYS 459 CO -0.03 0.77 -0.00 1.25 -1.08 0.00 0.00 179.45 180.36 1hr6 h LEU 460 N 1.17 -0.01 -0.38 2.94 5.85 -0.65 -3.17 115.31 121.06 1hr6 h LEU 460 Ca 0.31 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1hr6 h LEU 460 Cb -0.10 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 1hr6 h LEU 460 CO -0.06 0.27 -0.05 0.78 -0.34 0.00 0.00 178.44 179.04 1hr6 h ASN 461 N -0.29 0.00 0.00 1.25 2.35 -1.05 -3.47 115.58 114.37 1hr6 h ASN 461 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1hr6 h ASN 461 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1hr6 h ASN 461 CO 0.00 0.05 0.00 1.67 -1.65 0.00 0.00 177.43 177.50