#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hr6 n SER 21 N 0.00 0.00 -2.22 0.00 3.41 -1.26 -5.12 113.62 108.43 1hr6 n SER 21 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1hr6 n SER 21 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1hr6 n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hr6 n GLN 22 N 0.00 -3.62 -2.32 4.33 1.13 -1.26 -4.90 117.38 110.73 1hr6 n GLN 22 Ca 0.00 2.81 -0.41 0.00 -1.94 0.00 0.00 57.00 57.46 1hr6 n GLN 22 Cb 0.00 -3.94 -0.03 0.00 0.11 0.00 0.00 30.24 26.38 1hr6 n GLN 22 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1hr6 s ILE 23 N -0.48 3.46 0.28 5.09 -4.36 -1.26 -4.93 121.20 118.99 1hr6 s ILE 23 Ca -0.15 1.22 -0.30 0.00 -0.26 0.00 0.00 60.65 61.16 1hr6 s ILE 23 Cb 0.01 -3.78 -0.13 0.00 1.25 0.00 0.00 42.46 39.81 1hr6 s ILE 23 CO 0.40 0.19 1.26 -2.65 0.24 0.00 0.00 174.94 174.38 1hr6 n PRO 24 N 2.56 1.82 -3.09 0.37 -0.02 -1.26 -5.06 135.00 130.32 1hr6 n PRO 24 Ca 0.05 0.64 -0.18 0.00 -2.02 0.00 0.00 63.50 61.99 1hr6 n PRO 24 Cb 0.44 -2.19 0.01 0.00 -0.02 0.00 0.00 33.50 31.73 1hr6 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hr6 n GLY 25 N 1.49 2.73 3.44 -1.23 0.00 -1.26 -5.03 105.19 105.33 1hr6 n GLY 25 Ca 0.09 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.48 1hr6 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hr6 s THR 26 N -1.92 4.51 0.11 2.61 2.01 -1.26 -4.56 115.64 117.13 1hr6 s THR 26 Ca 0.25 -0.37 -0.27 0.00 0.31 0.00 0.00 61.69 61.61 1hr6 s THR 26 Cb -0.02 -3.25 -0.06 0.00 0.01 0.00 0.00 72.50 69.17 1hr6 s THR 26 CO 0.16 0.13 0.86 -0.13 -0.69 0.00 0.00 174.62 174.95 1hr6 s ARG 27 N 1.61 4.62 0.01 4.92 1.81 0.06 -4.84 118.95 127.14 1hr6 s ARG 27 Ca 0.05 1.27 0.06 0.00 -1.72 0.00 0.00 55.73 55.38 1hr6 s ARG 27 Cb -0.17 -3.35 -0.02 0.00 -0.45 0.00 0.00 34.95 30.97 1hr6 s ARG 27 CO 0.05 0.32 -0.18 0.99 -0.68 0.00 0.00 175.30 175.81 1hr6 s THR 28 N -0.29 1.39 -0.05 0.02 2.01 -1.26 -1.01 115.64 116.45 1hr6 s THR 28 Ca 0.42 -0.92 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 1hr6 s THR 28 Cb -0.22 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.11 1hr6 s THR 28 CO 0.27 0.26 0.19 -0.44 -0.69 0.00 0.00 174.62 174.21 1hr6 s SER 29 N -0.77 -0.15 -0.02 3.53 0.01 -0.41 -5.00 113.70 110.89 1hr6 s SER 29 Ca 0.06 0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.57 1hr6 s SER 29 Cb -0.07 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.47 1hr6 s SER 29 CO 0.00 -0.17 -0.09 -0.54 0.41 0.00 0.00 173.24 172.85 1hr6 s LYS 30 N -0.38 2.56 0.41 12.44 1.02 -1.26 0.63 119.74 135.16 1hr6 s LYS 30 Ca -0.05 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.24 1hr6 s LYS 30 Cb -0.03 -2.48 -0.03 0.00 -0.52 0.00 0.00 37.83 34.77 1hr6 s LYS 30 CO 0.01 0.62 0.64 -1.17 -0.92 0.00 0.00 175.35 174.53 1hr6 s LEU 31 N -1.10 3.83 0.32 3.17 2.96 0.11 -4.98 118.68 122.98 1hr6 s LEU 31 Ca 0.14 0.55 0.04 0.00 -0.22 0.00 0.00 54.13 54.64 1hr6 s LEU 31 Cb -0.11 -3.43 0.63 0.00 0.50 0.00 0.00 46.19 43.78 1hr6 s LEU 31 CO 0.04 -0.46 1.88 1.55 -1.32 0.00 0.00 176.35 178.04 1hr6 h PRO 32 N 0.53 0.88 0.00 0.98 0.13 -1.98 -0.84 132.00 131.70 1hr6 h PRO 32 Ca -0.48 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1hr6 h PRO 32 Cb 1.22 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1hr6 h PRO 32 CO 0.61 0.58 0.00 0.27 -0.23 0.00 0.00 178.00 179.23 1hr6 n ASN 33 N -4.55 0.00 0.00 1.44 0.23 -1.26 -4.87 115.26 106.25 1hr6 n ASN 33 Ca 0.16 -1.02 0.00 0.00 -0.53 0.00 0.00 54.58 53.19 1hr6 n ASN 33 Cb 0.32 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 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 0.54 2.98 3.68 4.83 0.00 -0.32 -2.78 105.19 114.12 1hr6 n GLY 34 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 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 3.30 -4.85 0.99 7.94 -0.16 -3.95 117.00 120.26 1hr6 n LEU 35 Ca 0.00 1.07 -0.37 0.00 -1.11 0.00 0.00 56.01 55.60 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 -0.18 0.01 -0.89 -1.11 0.00 0.00 177.39 175.22 1hr6 s THR 36 N 1.21 5.20 -0.24 1.96 2.01 -0.98 0.10 115.64 124.90 1hr6 s THR 36 Ca 0.79 0.58 0.00 0.00 0.31 0.00 0.00 61.69 63.37 1hr6 s THR 36 Cb -0.64 -3.60 0.04 0.00 0.01 0.00 0.00 72.50 68.30 1hr6 s THR 36 CO 0.38 0.56 -0.10 -0.63 -0.69 0.00 0.00 174.62 174.14 1hr6 s ILE 37 N -1.10 2.51 -0.09 1.82 -1.09 0.21 -0.40 121.20 123.05 1hr6 s ILE 37 Ca 0.22 -1.21 0.04 0.00 -2.23 0.00 0.00 60.65 57.46 1hr6 s ILE 37 Cb -0.15 -2.30 -0.01 0.00 -1.58 0.00 0.00 42.46 38.42 1hr6 s ILE 37 CO 0.11 0.18 -0.21 0.00 -1.23 0.00 0.00 174.94 173.79 1hr6 s ALA 38 N 1.25 2.29 0.01 9.38 0.00 -0.55 -1.29 121.76 132.86 1hr6 s ALA 38 Ca -0.02 -0.97 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 1hr6 s ALA 38 Cb -0.17 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 1hr6 s ALA 38 CO -0.06 0.33 -0.01 0.99 0.00 0.00 0.00 175.76 177.01 1hr6 s THR 39 N 0.14 0.08 -0.13 0.00 2.01 -0.18 -1.22 115.64 116.35 1hr6 s THR 39 Ca -0.11 -0.70 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 1hr6 s THR 39 Cb -0.16 -0.22 0.05 0.00 0.01 0.00 0.00 72.50 72.18 1hr6 s THR 39 CO 0.06 -0.38 0.06 -0.70 -0.69 0.00 0.00 174.62 172.97 1hr6 s GLU 40 N -1.13 0.21 0.20 4.92 2.12 -0.77 -0.76 118.70 123.48 1hr6 s GLU 40 Ca -0.12 -0.00 -0.30 0.00 0.36 0.00 0.00 54.97 54.90 1hr6 s GLU 40 Cb -0.08 -1.44 -0.08 0.00 0.26 0.00 0.00 34.13 32.80 1hr6 s GLU 40 CO -0.01 -0.53 1.07 -0.47 -0.54 0.00 0.00 175.26 174.78 1hr6 s TYR 41 N 2.07 3.66 -0.29 5.30 5.04 -1.26 -2.20 117.35 129.68 1hr6 s TYR 41 Ca 0.03 1.68 -0.01 0.00 -2.44 0.00 0.00 57.07 56.33 1hr6 s TYR 41 Cb -0.15 -3.22 0.05 0.00 0.35 0.00 0.00 41.96 38.99 1hr6 s TYR 41 CO -0.07 -0.39 -0.03 0.42 -1.34 0.00 0.00 175.55 174.14 1hr6 s ILE 42 N -0.50 2.79 0.75 3.14 -1.09 -0.62 -4.81 121.20 120.87 1hr6 s ILE 42 Ca 0.47 -1.40 -0.15 0.00 -2.23 0.00 0.00 60.65 57.34 1hr6 s ILE 42 Cb -0.29 -2.59 0.05 0.00 -1.58 0.00 0.00 42.46 38.05 1hr6 s ILE 42 CO 0.35 -0.05 1.20 -2.65 -1.23 0.00 0.00 174.94 172.56 1hr6 n PRO 43 N 4.58 0.48 -3.51 2.79 -0.02 -1.26 -3.72 135.00 134.34 1hr6 n PRO 43 Ca -0.14 0.23 -0.19 0.00 -2.02 0.00 0.00 63.50 61.39 1hr6 n PRO 43 Cb 0.43 -2.44 0.08 0.00 -0.02 0.00 0.00 33.50 31.55 1hr6 n PRO 43 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1hr6 n ASN 44 N -2.71 -2.46 -3.99 2.55 5.03 -1.26 -5.02 115.26 107.40 1hr6 n ASN 44 Ca 0.14 -0.65 -0.09 0.00 0.87 0.00 0.00 54.58 54.85 1hr6 n ASN 44 Cb 0.50 -4.89 -0.10 0.00 -1.02 0.00 0.00 39.78 34.26 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 -3.41 0.15 -0.02 3.41 -4.23 -1.24 -5.04 115.64 105.26 1hr6 s THR 45 Ca 0.09 -1.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.42 1hr6 s THR 45 Cb -0.04 -0.77 0.03 0.00 1.34 0.00 0.00 72.50 73.07 1hr6 s THR 45 CO 0.75 -0.66 0.89 -1.20 -0.54 0.00 0.00 174.62 173.86 1hr6 n SER 46 N 0.98 1.45 -4.25 3.99 7.64 -1.26 -4.51 113.62 117.66 1hr6 n SER 46 Ca -0.20 -1.88 -0.16 0.00 1.01 0.00 0.00 58.87 57.63 1hr6 n SER 46 Cb 0.58 -0.06 -0.10 0.00 -1.01 0.00 0.00 64.21 63.61 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 -0.98 1.11 0.36 6.43 1.04 -1.26 -0.42 113.70 119.98 1hr6 s SER 47 Ca 0.04 -1.41 -0.16 0.00 0.48 0.00 0.00 55.95 54.90 1hr6 s SER 47 Cb 0.03 0.23 0.06 0.00 0.10 0.00 0.00 66.02 66.44 1hr6 s SER 47 CO 0.00 -0.77 0.83 0.00 0.98 0.00 0.00 173.24 174.28 1hr6 n ALA 48 N -0.46 -1.92 -3.46 5.32 0.00 -0.62 -1.11 120.51 118.26 1hr6 n ALA 48 Ca 0.00 -1.22 -0.17 0.00 0.00 0.00 0.00 53.44 52.05 1hr6 n ALA 48 Cb 0.66 0.93 -0.16 0.00 0.00 0.00 0.00 19.45 20.89 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 -2.10 0.27 -0.05 0.00 2.01 -0.64 -2.31 115.64 112.82 1hr6 s THR 49 Ca 0.17 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.18 1hr6 s THR 49 Cb -0.05 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.16 1hr6 s THR 49 CO 0.11 0.14 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.37 1hr6 s VAL 50 N 0.70 1.05 -0.00 3.82 1.01 -0.55 -1.99 120.40 124.44 1hr6 s VAL 50 Ca -0.07 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1hr6 s VAL 50 Cb -0.11 -0.94 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 1hr6 s VAL 50 CO -0.01 0.32 0.04 -0.83 0.00 0.00 0.00 175.10 174.62 1hr6 s GLY 51 N 0.40 0.07 -0.25 4.51 0.00 0.01 -0.16 107.32 111.90 1hr6 s GLY 51 Ca -0.09 -0.15 -0.06 0.00 0.00 0.00 0.00 44.72 44.42 1hr6 s GLY 51 CO 0.02 -0.21 0.04 -1.50 0.00 0.00 0.00 173.10 171.46 1hr6 s ILE 52 N -0.70 4.01 -0.17 0.90 1.10 0.59 -0.55 121.20 126.37 1hr6 s ILE 52 Ca -0.08 -0.33 -0.04 0.00 -0.51 0.00 0.00 60.65 59.69 1hr6 s ILE 52 Cb -0.05 -2.89 -0.03 0.00 0.15 0.00 0.00 42.46 39.65 1hr6 s ILE 52 CO -0.00 0.32 -0.03 -0.36 -2.11 0.00 0.00 174.94 172.76 1hr6 s PHE 53 N 1.56 3.02 -0.11 3.50 0.40 0.23 -1.80 117.98 124.78 1hr6 s PHE 53 Ca 0.06 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 1hr6 s PHE 53 Cb -0.15 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.39 1hr6 s PHE 53 CO 0.02 -0.11 -0.18 0.08 0.70 0.00 0.00 175.22 175.72 1hr6 s VAL 54 N 0.58 1.69 -0.52 -0.44 1.01 0.71 -0.51 120.40 122.92 1hr6 s VAL 54 Ca -0.02 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 60.92 1hr6 s VAL 54 Cb -0.14 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1hr6 s VAL 54 CO 0.02 0.48 2.10 -0.62 0.00 0.00 0.00 175.10 177.09 1hr6 s ASP 55 N 0.82 4.97 0.00 3.32 -1.08 0.77 -1.60 116.67 123.86 1hr6 s ASP 55 Ca -0.09 0.79 0.00 0.00 -0.52 0.00 0.00 52.55 52.72 1hr6 s ASP 55 Cb -0.16 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 1hr6 s ASP 55 CO 0.00 -2.53 0.00 0.00 0.52 0.00 0.00 175.17 173.17 1hr6 n ALA 56 N 13.87 0.00 -0.88 3.66 0.00 -0.61 -4.95 120.51 131.59 1hr6 n ALA 56 Ca 0.28 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.73 1hr6 n ALA 56 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.84 0.28 0.00 0.00 -1.25 -3.49 105.19 99.89 1hr6 n GLY 57 Ca 0.00 -0.86 0.14 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.08 0.00 0.44 1.61 4.64 -1.46 -2.49 113.55 116.21 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 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1hr6 h SER 58 CO 0.00 0.06 0.00 -2.11 -0.87 0.00 0.00 176.83 173.91 1hr6 n ARG 59 N -3.72 0.01 0.00 4.77 1.85 -0.17 -1.62 116.66 117.78 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 0.16 -1.51 0.33 0.00 -1.05 0.00 0.00 32.46 30.39 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 -1.51 3.22 -1.98 2.89 0.00 -0.94 -4.80 120.51 117.39 1hr6 n ALA 60 Ca 0.03 -0.40 -0.23 0.00 0.00 0.00 0.00 53.44 52.85 1hr6 n ALA 60 Cb 0.15 -1.12 0.07 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 -2.62 2.10 0.43 0.00 2.02 -0.64 -5.08 118.70 114.90 1hr6 s GLU 61 Ca 0.21 -0.93 0.03 0.00 0.02 0.00 0.00 54.97 54.31 1hr6 s GLU 61 Cb 0.19 -2.40 -0.02 0.00 0.10 0.00 0.00 34.13 32.00 1hr6 s GLU 61 CO 0.57 -1.10 0.10 0.54 0.02 0.00 0.00 175.26 175.38 1hr6 s ASN 62 N -4.59 3.05 0.31 -0.19 2.20 -1.26 -4.86 114.94 109.60 1hr6 s ASN 62 Ca 0.62 -1.66 0.06 0.00 -0.94 0.00 0.00 52.86 50.94 1hr6 s ASN 62 Cb -0.08 0.49 0.76 0.00 -2.00 0.00 0.00 41.25 40.41 1hr6 s ASN 62 CO 0.42 -0.91 1.78 0.58 -2.94 0.00 0.00 177.10 176.03 1hr6 h VAL 63 N 1.71 0.70 0.00 3.54 2.07 -1.99 0.88 116.25 123.16 1hr6 h VAL 63 Ca -0.37 -0.26 -0.13 0.00 0.82 0.00 0.00 66.70 66.77 1hr6 h VAL 63 Cb 1.28 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1hr6 h VAL 63 CO 0.61 0.14 -1.14 0.11 0.02 0.00 0.00 177.57 177.31 1hr6 h LYS 64 N 0.75 0.00 0.02 1.57 1.79 -2.04 -3.33 116.57 115.33 1hr6 h LYS 64 Ca 0.58 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.80 1hr6 h LYS 64 Cb 0.92 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.58 1hr6 h LYS 64 CO -0.38 0.28 -1.03 -0.97 -1.08 0.00 0.00 179.45 176.27 1hr6 h ASN 65 N 0.00 0.71 -0.17 0.86 -1.24 -1.54 -3.48 115.58 110.72 1hr6 h ASN 65 Ca -0.10 -0.59 -0.37 0.00 0.71 0.00 0.00 56.30 55.95 1hr6 h ASN 65 Cb 1.44 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 40.26 1hr6 h ASN 65 CO 0.04 1.39 0.49 -3.20 -1.29 0.00 0.00 177.43 174.86 1hr6 n ASN 66 N -3.78 0.42 0.00 1.15 4.05 0.29 -2.36 115.26 115.03 1hr6 n ASN 66 Ca -0.09 0.40 0.00 0.00 0.45 0.00 0.00 54.58 55.33 1hr6 n ASN 66 Cb 0.88 -0.40 0.00 0.00 1.23 0.00 0.00 39.78 41.49 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 2.79 0.80 0.07 8.20 0.00 -1.26 -4.46 105.19 111.33 1hr6 n GLY 67 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 1.17 -0.62 2.61 2.02 -1.76 -2.43 112.91 113.91 1hr6 h THR 68 Ca 0.00 -0.52 0.11 0.00 0.77 0.00 0.00 66.41 66.77 1hr6 h THR 68 Cb 0.00 1.40 -0.08 0.00 -1.74 0.00 0.00 68.15 67.73 1hr6 h THR 68 CO 0.00 0.14 0.18 0.00 0.37 0.00 0.00 175.52 176.22 1hr6 h ALA 69 N 0.82 0.77 -0.61 6.16 0.00 -1.88 0.86 119.26 125.38 1hr6 h ALA 69 Ca 0.02 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1hr6 h ALA 69 Cb 0.21 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1hr6 h ALA 69 CO -0.00 -0.25 0.22 1.25 0.00 0.00 0.00 179.25 180.47 1hr6 h HIS 70 N 0.33 0.96 -0.57 0.00 6.17 -1.76 -2.25 115.15 118.04 1hr6 h HIS 70 Ca 0.32 -0.09 0.06 0.00 0.71 0.00 0.00 60.37 61.38 1hr6 h HIS 70 Cb 0.45 -0.28 -0.05 0.00 2.52 0.00 0.00 27.41 30.04 1hr6 h HIS 70 CO -0.21 0.78 0.27 0.35 0.71 0.00 0.00 177.93 179.84 1hr6 h PHE 71 N 0.87 0.50 -0.72 5.26 3.04 -0.50 -1.56 116.94 123.82 1hr6 h PHE 71 Ca 0.20 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.23 1hr6 h PHE 71 Cb 0.25 -0.14 -0.05 0.00 2.56 0.00 0.00 35.95 38.56 1hr6 h PHE 71 CO 0.02 0.22 0.42 -0.07 -2.02 0.00 0.00 178.31 176.87 1hr6 h LEU 72 N 0.51 0.65 -0.33 0.59 3.38 -0.64 -2.30 115.31 117.17 1hr6 h LEU 72 Ca 0.26 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.33 1hr6 h LEU 72 Cb 0.21 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 1hr6 h LEU 72 CO -0.20 0.42 -0.26 -0.08 0.09 0.00 0.00 178.44 178.41 1hr6 h GLU 73 N 0.78 -0.21 -0.52 1.13 4.81 -0.70 -0.63 114.58 119.23 1hr6 h GLU 73 Ca 0.31 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.57 1hr6 h GLU 73 Cb 0.16 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1hr6 h GLU 73 CO -0.17 -0.14 0.34 0.45 -0.73 0.00 0.00 179.01 178.76 1hr6 h HIS 74 N -0.22 0.65 0.00 0.92 3.86 -1.05 -2.87 115.15 116.43 1hr6 h HIS 74 Ca 0.16 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1hr6 h HIS 74 Cb 0.48 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.73 1hr6 h HIS 74 CO -0.45 0.41 -0.00 -0.07 0.86 0.00 0.00 177.93 178.67 1hr6 h LEU 75 N 0.70 0.00 -2.69 2.43 4.07 -0.88 -3.14 115.31 115.80 1hr6 h LEU 75 Ca 0.19 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.16 1hr6 h LEU 75 Cb -0.07 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 1hr6 h LEU 75 CO -0.05 0.00 0.05 0.00 -1.08 0.00 0.00 178.44 177.37 1hr6 h ALA 76 N 2.00 1.26 -0.26 1.53 0.00 -0.90 0.17 119.26 123.05 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 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1hr6 h ALA 76 CO 0.00 -0.06 0.00 1.19 0.00 0.00 0.00 179.25 180.38 1hr6 n PHE 77 N -3.35 0.33 0.34 0.00 3.01 -1.19 -4.45 117.46 112.15 1hr6 n PHE 77 Ca -0.02 -0.19 0.12 0.00 1.01 0.00 0.00 57.45 58.37 1hr6 n PHE 77 Cb 0.13 -0.00 0.15 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 4.02 0.00 0.00 -1.08 1.79 -1.12 -3.43 116.57 116.75 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 0.90 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 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 1.22 4.65 3.63 3.86 0.00 -1.26 -3.10 105.19 114.19 1hr6 n GLY 79 Ca 0.03 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.47 1.22 -2.00 2.61 -4.23 0.32 -0.92 115.64 111.18 1hr6 s THR 80 Ca 0.00 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 1hr6 s THR 80 Cb 0.00 -2.49 0.30 0.00 1.34 0.00 0.00 72.50 71.65 1hr6 s THR 80 CO 0.00 0.00 1.07 0.00 -0.54 0.00 0.00 174.62 175.15 1hr6 n GLN 81 N -1.03 0.35 0.00 3.99 6.02 0.13 -2.73 117.38 124.11 1hr6 n GLN 81 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1hr6 n GLN 81 Cb 0.66 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.45 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 -0.97 3.40 -3.92 1.08 3.02 -1.26 -5.05 115.26 111.55 1hr6 n ASN 82 Ca 0.08 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.41 1hr6 n ASN 82 Cb 0.04 0.32 -0.17 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.69 1.11 0.95 3.52 0.52 -1.11 -5.11 118.95 117.14 1hr6 s ARG 83 Ca 0.00 -0.18 -0.14 0.00 -0.52 0.00 0.00 55.73 54.89 1hr6 s ARG 83 Cb 0.00 -1.07 0.16 0.00 0.52 0.00 0.00 34.95 34.56 1hr6 s ARG 83 CO 0.00 -0.09 1.16 -1.25 0.02 0.00 0.00 175.30 175.14 1hr6 s PRO 84 N 1.01 0.80 0.05 3.54 0.04 -1.26 0.12 135.00 139.30 1hr6 s PRO 84 Ca -0.09 0.14 -0.19 0.00 0.04 0.00 0.00 61.00 60.90 1hr6 s PRO 84 Cb -0.14 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 1hr6 s PRO 84 CO -0.00 -2.40 1.30 0.37 0.04 0.00 0.00 177.00 176.31 1hr6 h GLN 85 N -1.64 -0.47 0.00 4.56 4.15 -1.81 -1.61 115.11 118.29 1hr6 h GLN 85 Ca -0.49 0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1hr6 h GLN 85 Cb 1.31 0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.11 1hr6 h GLN 85 CO 0.55 -0.31 0.07 0.94 -1.93 0.00 0.00 178.83 178.16 1hr6 n GLN 86 N -4.03 0.07 0.10 1.69 7.27 -1.26 -1.03 117.38 120.19 1hr6 n GLN 86 Ca -0.06 0.54 -0.17 0.00 0.07 0.00 0.00 57.00 57.39 1hr6 n GLN 86 Cb 0.24 -1.82 -0.14 0.00 2.41 0.00 0.00 30.24 30.93 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 0.32 0.58 1.69 0.00 -1.65 -2.52 103.07 101.49 1hr6 h GLY 87 Ca 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 1hr6 h GLY 87 CO 0.00 0.73 -0.10 -2.22 0.00 0.00 0.00 176.54 174.94 1hr6 h ILE 88 N 0.08 0.85 0.05 2.60 2.04 -0.75 -2.02 117.51 120.36 1hr6 h ILE 88 Ca -0.16 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 64.92 1hr6 h ILE 88 Cb 1.99 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 39.32 1hr6 h ILE 88 CO 0.20 0.16 -0.29 -0.33 0.00 0.00 0.00 178.15 177.89 1hr6 h GLU 89 N -0.71 -0.39 -0.53 2.37 5.08 -1.57 -1.45 114.58 117.38 1hr6 h GLU 89 Ca -0.03 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 1hr6 h GLU 89 Cb 0.49 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1hr6 h GLU 89 CO 0.05 -0.26 0.36 1.25 -1.00 0.00 0.00 179.01 179.41 1hr6 h LEU 90 N -0.40 0.20 -0.19 1.33 7.12 -1.55 -1.06 115.31 120.75 1hr6 h LEU 90 Ca -0.00 0.01 -0.10 0.00 0.13 0.00 0.00 57.88 57.91 1hr6 h LEU 90 Cb 0.41 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.50 1hr6 h LEU 90 CO -0.17 0.12 -0.28 -0.08 -0.13 0.00 0.00 178.44 177.90 1hr6 h GLU 91 N 0.22 0.53 -0.35 1.25 4.81 -0.88 -2.47 114.58 117.69 1hr6 h GLU 91 Ca 0.25 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1hr6 h GLU 91 Cb 0.68 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1hr6 h GLU 91 CO -0.05 0.91 0.03 0.82 -0.73 0.00 0.00 179.01 180.00 1hr6 h ILE 92 N 0.20 1.25 0.00 2.32 1.08 -0.57 -3.12 117.51 118.67 1hr6 h ILE 92 Ca 0.02 -0.90 -0.02 0.00 -0.39 0.00 0.00 64.86 63.56 1hr6 h ILE 92 Cb 0.86 1.14 -0.00 0.00 -3.07 0.00 0.00 36.82 35.75 1hr6 h ILE 92 CO 0.07 0.30 -0.11 -0.33 -0.69 0.00 0.00 178.15 177.38 1hr6 h GLU 93 N 0.43 0.00 0.00 2.37 5.08 -1.25 -0.89 114.58 120.32 1hr6 h GLU 93 Ca 0.10 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.31 1hr6 h GLU 93 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1hr6 h GLU 93 CO 0.01 0.11 -0.74 -0.91 -1.00 0.00 0.00 179.01 176.48 1hr6 h ASN 94 N 0.00 0.00 -0.53 1.42 2.35 -1.37 -3.18 115.58 114.27 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 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1hr6 h ASN 94 CO 0.01 0.74 0.00 2.30 -1.65 0.00 0.00 177.43 178.84 1hr6 n ILE 95 N -3.53 0.73 -2.74 2.81 -5.35 -1.14 -4.98 119.36 105.15 1hr6 n ILE 95 Ca -0.00 -0.86 -0.15 0.00 -0.27 0.00 0.00 62.75 61.46 1hr6 n ILE 95 Cb 0.75 0.77 0.02 0.00 -1.74 0.00 0.00 39.64 39.44 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 1.50 -0.14 3.77 3.28 0.00 -0.97 -4.63 105.19 108.01 1hr6 n GLY 96 Ca 0.21 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.13 1.82 -3.85 1.61 7.64 -0.38 -4.66 113.62 114.67 1hr6 n SER 97 Ca -0.08 -2.37 -0.12 0.00 1.01 0.00 0.00 58.87 57.30 1hr6 n SER 97 Cb 0.59 -0.48 -0.14 0.00 -1.01 0.00 0.00 64.21 63.18 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 -2.63 -0.05 -0.10 1.43 3.76 0.55 -4.57 115.29 113.69 1hr6 s HIS 98 Ca 0.60 0.13 0.03 0.00 -0.15 0.00 0.00 55.06 55.68 1hr6 s HIS 98 Cb -0.04 0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.66 1hr6 s HIS 98 CO 0.39 -0.03 -0.21 -1.17 -0.85 0.00 0.00 174.74 172.88 1hr6 s LEU 99 N 0.06 1.97 0.13 0.89 2.96 -1.26 -1.21 118.68 122.21 1hr6 s LEU 99 Ca -0.00 -0.49 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 1hr6 s LEU 99 Cb -0.01 -1.26 0.01 0.00 0.50 0.00 0.00 46.19 45.44 1hr6 s LEU 99 CO -0.00 0.12 0.31 0.20 -1.32 0.00 0.00 176.35 175.65 1hr6 s ASN 100 N 0.49 -0.03 0.17 3.68 0.01 -0.28 -5.02 114.94 113.95 1hr6 s ASN 100 Ca -0.16 -0.60 -0.20 0.00 -0.71 0.00 0.00 52.86 51.19 1hr6 s ASN 100 Cb -0.17 0.43 0.05 0.00 0.41 0.00 0.00 41.25 41.96 1hr6 s ASN 100 CO 0.06 -0.84 0.54 0.00 -1.51 0.00 0.00 177.10 175.35 1hr6 s ALA 101 N -3.87 -1.25 0.18 0.60 0.00 -1.26 -0.36 121.76 115.79 1hr6 s ALA 101 Ca 0.08 0.14 -0.21 0.00 0.00 0.00 0.00 51.96 51.96 1hr6 s ALA 101 Cb 0.03 0.83 0.06 0.00 0.00 0.00 0.00 23.12 24.03 1hr6 s ALA 101 CO -0.08 -0.76 0.59 1.52 0.00 0.00 0.00 175.76 177.03 1hr6 s TYR 102 N -3.80 -0.42 -0.08 0.00 -0.85 -0.52 -5.02 117.35 106.66 1hr6 s TYR 102 Ca 0.04 0.15 0.02 0.00 -0.52 0.00 0.00 57.07 56.76 1hr6 s TYR 102 Cb -0.01 0.53 0.01 0.00 0.38 0.00 0.00 41.96 42.88 1hr6 s TYR 102 CO -0.09 -0.89 -0.13 0.99 -1.52 0.00 0.00 175.55 173.91 1hr6 s THR 103 N -3.79 1.24 0.51 -3.49 2.01 -1.26 -1.98 115.64 108.88 1hr6 s THR 103 Ca 0.03 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 61.57 1hr6 s THR 103 Cb -0.01 -1.15 0.01 0.00 0.01 0.00 0.00 72.50 71.36 1hr6 s THR 103 CO -0.09 0.39 0.26 -0.94 -0.69 0.00 0.00 174.62 173.54 1hr6 s SER 104 N 0.87 4.47 0.47 3.53 1.04 -0.31 -5.00 113.70 118.75 1hr6 s SER 104 Ca -0.10 -1.32 0.21 0.00 0.48 0.00 0.00 55.95 55.21 1hr6 s SER 104 Cb -0.15 0.29 1.15 0.00 0.10 0.00 0.00 66.02 67.41 1hr6 s SER 104 CO 0.01 -0.94 1.99 0.03 0.98 0.00 0.00 173.24 175.31 1hr6 h ARG 105 N 1.03 0.00 0.00 4.02 3.08 -1.95 -3.05 114.38 117.51 1hr6 h ARG 105 Ca -0.40 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.30 1hr6 h ARG 105 Cb 1.30 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.28 1hr6 h ARG 105 CO 0.64 0.20 -2.25 0.39 -1.07 0.00 0.00 179.97 177.87 1hr6 n GLU 106 N -3.90 0.68 -4.24 0.04 1.02 -1.26 -1.00 120.64 111.98 1hr6 n GLU 106 Ca -0.02 0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 57.05 1hr6 n GLU 106 Cb 0.29 -1.58 -0.10 0.00 -0.02 0.00 0.00 31.44 30.03 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 -5.68 0.47 -0.06 1.62 -0.87 -1.23 -1.58 114.94 107.61 1hr6 s ASN 107 Ca -0.10 -1.39 0.04 0.00 -1.57 0.00 0.00 52.86 49.84 1hr6 s ASN 107 Cb 0.07 0.32 -0.00 0.00 -0.02 0.00 0.00 41.25 41.61 1hr6 s ASN 107 CO 0.82 -0.81 -0.20 -0.89 -2.57 0.00 0.00 177.10 173.45 1hr6 s THR 108 N -4.03 1.66 -0.03 1.60 2.01 -0.63 -1.17 115.64 115.05 1hr6 s THR 108 Ca 0.39 -0.82 -0.00 0.00 0.31 0.00 0.00 61.69 61.56 1hr6 s THR 108 Cb 0.07 -1.43 0.03 0.00 0.01 0.00 0.00 72.50 71.18 1hr6 s THR 108 CO 0.13 0.47 0.05 -0.69 -0.69 0.00 0.00 174.62 173.89 1hr6 s VAL 109 N 0.18 -0.06 -0.03 3.82 1.01 -0.84 -0.21 120.40 124.27 1hr6 s VAL 109 Ca -0.09 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1hr6 s VAL 109 Cb -0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.13 1hr6 s VAL 109 CO 0.04 0.09 -0.15 -0.31 0.00 0.00 0.00 175.10 174.77 1hr6 s TYR 110 N 1.11 1.50 0.11 5.22 1.51 -0.74 -1.44 117.35 124.61 1hr6 s TYR 110 Ca -0.09 -0.40 -0.12 0.00 -1.01 0.00 0.00 57.07 55.45 1hr6 s TYR 110 Cb -0.13 -1.01 0.01 0.00 -0.11 0.00 0.00 41.96 40.72 1hr6 s TYR 110 CO -0.03 -0.13 0.29 1.52 -1.11 0.00 0.00 175.55 176.08 1hr6 s TYR 111 N 0.01 0.01 0.08 2.71 1.13 0.52 -0.30 117.35 121.50 1hr6 s TYR 111 Ca -0.02 -0.39 0.04 0.00 -1.41 0.00 0.00 57.07 55.29 1hr6 s TYR 111 Cb -0.10 0.08 -0.03 0.00 -1.10 0.00 0.00 41.96 40.81 1hr6 s TYR 111 CO 0.01 -0.62 -0.10 0.00 -2.51 0.00 0.00 175.55 172.33 1hr6 s ALA 112 N -3.84 1.00 -0.08 9.51 0.00 0.77 -1.13 121.76 128.00 1hr6 s ALA 112 Ca 0.05 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 50.98 1hr6 s ALA 112 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1hr6 s ALA 112 CO -0.11 0.00 -0.20 0.15 0.00 0.00 0.00 175.76 175.60 1hr6 s LYS 113 N -2.35 2.50 0.16 0.00 1.02 -0.35 -1.48 119.74 119.23 1hr6 s LYS 113 Ca 0.01 -0.72 -0.24 0.00 0.02 0.00 0.00 55.97 55.03 1hr6 s LYS 113 Cb -0.06 -1.96 0.06 0.00 -0.52 0.00 0.00 37.83 35.36 1hr6 s LYS 113 CO 0.00 0.16 0.81 -1.54 -0.92 0.00 0.00 175.35 173.86 1hr6 s SER 114 N 0.36 -0.32 0.72 2.83 1.04 -0.98 -0.33 113.70 117.03 1hr6 s SER 114 Ca -0.15 -0.30 -0.15 0.00 0.48 0.00 0.00 55.95 55.83 1hr6 s SER 114 Cb -0.16 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.54 1hr6 s SER 114 CO 0.06 -0.98 1.21 -0.76 0.98 0.00 0.00 173.24 173.76 1hr6 s LEU 115 N -2.80 3.35 0.47 2.42 1.02 -1.26 -1.59 118.68 120.29 1hr6 s LEU 115 Ca 0.08 2.38 0.21 0.00 0.02 0.00 0.00 54.13 56.82 1hr6 s LEU 115 Cb -0.02 -4.59 1.22 0.00 0.02 0.00 0.00 46.19 42.81 1hr6 s LEU 115 CO -0.02 -2.21 1.92 0.06 0.02 0.00 0.00 176.35 176.12 1hr6 h GLN 116 N -0.18 0.23 -0.27 1.70 3.07 -1.03 -0.62 115.11 118.01 1hr6 h GLN 116 Ca -0.48 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.24 1hr6 h GLN 116 Cb 1.30 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.79 1hr6 h GLN 116 CO 0.50 0.15 0.13 0.93 0.09 0.00 0.00 178.83 180.63 1hr6 h GLU 117 N 0.24 0.37 -0.48 0.06 3.07 -1.89 -2.83 114.58 113.11 1hr6 h GLU 117 Ca 0.36 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1hr6 h GLU 117 Cb 1.08 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 1hr6 h GLU 117 CO -0.08 0.29 0.00 -0.25 -1.40 0.00 0.00 179.01 177.57 1hr6 n ASP 118 N -4.44 2.57 -0.09 1.42 8.00 -0.24 -4.51 116.55 119.26 1hr6 n ASP 118 Ca 0.01 -2.03 -0.06 0.00 0.71 0.00 0.00 54.79 53.42 1hr6 n ASP 118 Cb 0.11 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 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 2.72 0.68 0.10 0.53 1.08 -1.55 0.13 117.51 121.21 1hr6 h ILE 119 Ca 0.00 -0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1hr6 h ILE 119 Cb 0.66 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 1hr6 h ILE 119 CO 0.01 0.00 -0.16 1.55 -0.69 0.00 0.00 178.15 178.87 1hr6 h PRO 120 N 0.01 -0.30 -0.98 2.37 0.13 -1.85 0.53 132.00 131.92 1hr6 h PRO 120 Ca 0.16 0.02 0.22 0.00 -0.87 0.00 0.00 66.00 65.53 1hr6 h PRO 120 Cb 0.24 0.07 -0.08 0.00 0.13 0.00 0.00 31.00 31.35 1hr6 h PRO 120 CO -0.33 -0.20 0.63 -0.22 -0.23 0.00 0.00 178.00 177.65 1hr6 h LYS 121 N -0.31 0.45 0.09 0.86 1.63 -1.77 0.54 116.57 118.06 1hr6 h LYS 121 Ca 0.02 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1hr6 h LYS 121 Cb 0.32 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1hr6 h LYS 121 CO -0.08 0.30 -0.04 0.00 -3.45 0.00 0.00 179.45 176.18 1hr6 h ALA 122 N 1.62 -0.12 -0.94 5.00 0.00 0.64 -1.46 119.26 124.01 1hr6 h ALA 122 Ca 0.54 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.34 1hr6 h ALA 122 Cb 1.25 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1hr6 h ALA 122 CO -0.26 -0.46 0.62 0.28 0.00 0.00 0.00 179.25 179.43 1hr6 h VAL 123 N -0.32 1.24 0.54 0.00 2.07 0.88 -1.12 116.25 119.54 1hr6 h VAL 123 Ca -0.01 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1hr6 h VAL 123 Cb 0.27 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1hr6 h VAL 123 CO 0.02 0.23 -0.42 -0.78 0.02 0.00 0.00 177.57 176.64 1hr6 h ASP 124 N 1.27 -1.10 -0.78 0.57 3.58 -0.85 -1.29 116.42 117.81 1hr6 h ASP 124 Ca 0.35 0.08 0.04 0.00 0.42 0.00 0.00 57.03 57.91 1hr6 h ASP 124 Cb -0.14 0.35 -0.05 0.00 1.72 0.00 0.00 39.33 41.21 1hr6 h ASP 124 CO -0.08 -0.61 0.49 0.40 -2.88 0.00 0.00 179.24 176.56 1hr6 h ILE 125 N -0.94 1.09 -0.18 2.25 2.04 -1.06 0.10 117.51 120.81 1hr6 h ILE 125 Ca -0.06 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1hr6 h ILE 125 Cb 0.79 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1hr6 h ILE 125 CO 0.01 0.17 0.10 -0.07 0.00 0.00 0.00 178.15 178.36 1hr6 h LEU 126 N 0.94 0.16 -0.15 1.44 3.38 -1.00 0.36 115.31 120.44 1hr6 h LEU 126 Ca 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1hr6 h LEU 126 Cb 0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1hr6 h LEU 126 CO -0.13 0.12 0.08 0.77 0.09 0.00 0.00 178.44 179.37 1hr6 h SER 127 N 0.21 0.19 -0.59 -0.43 4.64 -0.89 -0.51 113.55 116.16 1hr6 h SER 127 Ca 0.07 -0.10 0.10 0.00 -0.47 0.00 0.00 61.79 61.39 1hr6 h SER 127 Cb -0.00 -0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 61.97 1hr6 h SER 127 CO -0.04 0.23 0.18 -0.78 -0.87 0.00 0.00 176.83 175.55 1hr6 h ASP 128 N 0.13 0.12 -0.47 4.97 3.58 -0.44 -0.37 116.42 123.93 1hr6 h ASP 128 Ca 0.05 0.09 -0.14 0.00 0.42 0.00 0.00 57.03 57.46 1hr6 h ASP 128 Cb 0.09 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1hr6 h ASP 128 CO -0.01 0.07 -0.24 0.40 -2.88 0.00 0.00 179.24 176.59 1hr6 h ILE 129 N 0.33 1.27 -0.18 2.25 2.04 -0.68 0.24 117.51 122.79 1hr6 h ILE 129 Ca 0.30 -1.40 -0.20 0.00 1.00 0.00 0.00 64.86 64.56 1hr6 h ILE 129 Cb 0.41 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1hr6 h ILE 129 CO -0.34 0.48 -0.69 0.25 0.00 0.00 0.00 178.15 177.85 1hr6 h LEU 130 N 0.84 0.84 0.00 1.44 5.85 -0.50 -3.36 115.31 120.42 1hr6 h LEU 130 Ca 0.10 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1hr6 h LEU 130 Cb 0.82 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1hr6 h LEU 130 CO 0.07 1.30 -1.27 0.35 -0.34 0.00 0.00 178.44 178.55 1hr6 n THR 131 N -3.94 0.00 -1.93 1.05 -2.24 -0.20 -4.71 114.28 102.30 1hr6 n THR 131 Ca -0.06 -0.21 -0.17 0.00 -2.27 0.00 0.00 64.05 61.34 1hr6 n THR 131 Cb 0.70 0.39 0.06 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.72 3.16 -2.59 -0.78 5.02 0.07 -5.03 118.16 116.29 1hr6 n LYS 132 Ca -0.01 -3.98 -0.41 0.00 -2.02 0.00 0.00 58.31 51.89 1hr6 n LYS 132 Cb 0.21 -2.13 -0.04 0.00 -0.02 0.00 0.00 35.03 33.05 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 -3.52 7.31 0.16 4.39 1.04 -1.22 -0.70 113.70 121.17 1hr6 s SER 133 Ca 0.48 1.92 -0.16 0.00 0.48 0.00 0.00 55.95 58.67 1hr6 s SER 133 Cb 0.40 -2.59 0.10 0.00 0.10 0.00 0.00 66.02 64.03 1hr6 s SER 133 CO 0.02 -0.23 1.72 0.58 0.98 0.00 0.00 173.24 176.30 1hr6 h VAL 134 N 4.15 0.78 -5.69 5.02 2.07 -1.29 -3.45 116.25 117.84 1hr6 h VAL 134 Ca -0.43 -0.06 -0.34 0.00 0.82 0.00 0.00 66.70 66.69 1hr6 h VAL 134 Cb 1.21 0.58 0.16 0.00 -1.52 0.00 0.00 31.29 31.73 1hr6 h VAL 134 CO 0.74 0.03 -0.75 0.18 0.02 0.00 0.00 177.57 177.79 1hr6 n LEU 135 N -5.11 -3.92 -4.75 2.57 4.77 -1.26 -4.91 117.00 104.38 1hr6 n LEU 135 Ca 0.02 -0.61 -0.41 0.00 -0.03 0.00 0.00 56.01 54.99 1hr6 n LEU 135 Cb 0.18 -3.11 -0.01 0.00 -2.33 0.00 0.00 43.42 38.15 1hr6 n LEU 135 CO 0.23 0.43 1.23 -0.62 -1.33 0.00 0.00 177.39 177.33 1hr6 s ASP 136 N -4.17 6.38 0.41 -1.43 2.15 -1.26 -4.85 116.67 113.90 1hr6 s ASP 136 Ca 0.11 2.95 0.09 0.00 0.43 0.00 0.00 52.55 56.13 1hr6 s ASP 136 Cb -0.05 -2.64 0.90 0.00 -0.30 0.00 0.00 42.92 40.83 1hr6 s ASP 136 CO 0.73 -0.90 2.03 0.78 -0.17 0.00 0.00 175.17 177.64 1hr6 h ASN 137 N 4.66 0.46 -0.01 -0.34 -0.26 -1.99 0.08 115.58 118.18 1hr6 h ASN 137 Ca -0.47 -0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.26 1hr6 h ASN 137 Cb 1.22 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 38.38 1hr6 h ASN 137 CO 0.78 0.31 0.00 -1.28 -1.06 0.00 0.00 177.43 176.18 1hr6 h SER 138 N 0.53 0.01 -0.27 5.81 0.87 -2.00 -2.66 113.55 115.84 1hr6 h SER 138 Ca 0.19 -0.20 0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1hr6 h SER 138 Cb 0.12 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 1hr6 h SER 138 CO -0.05 0.22 0.03 0.00 -0.53 0.00 0.00 176.83 176.50 1hr6 h ALA 139 N 0.80 0.27 -0.48 6.23 0.00 -1.75 -1.34 119.26 122.99 1hr6 h ALA 139 Ca 0.00 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1hr6 h ALA 139 Cb 0.21 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1hr6 h ALA 139 CO -0.00 -0.38 0.38 0.82 0.00 0.00 0.00 179.25 180.07 1hr6 h ILE 140 N 0.13 0.63 0.12 0.00 2.04 -0.91 -1.18 117.51 118.34 1hr6 h ILE 140 Ca 0.13 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.72 1hr6 h ILE 140 Cb 0.14 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1hr6 h ILE 140 CO -0.18 0.00 -1.34 -0.33 0.00 0.00 0.00 178.15 176.30 1hr6 h GLU 141 N 0.00 0.24 0.00 2.37 4.39 -0.92 -3.29 114.58 117.37 1hr6 h GLU 141 Ca 0.23 -0.42 -0.03 0.00 0.34 0.00 0.00 59.36 59.48 1hr6 h GLU 141 Cb 0.98 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1hr6 h GLU 141 CO -0.00 1.20 -0.14 0.00 -1.16 0.00 0.00 179.01 178.91 1hr6 h ARG 142 N -0.33 0.00 0.00 2.33 3.08 -0.84 -2.57 114.38 116.05 1hr6 h ARG 142 Ca -0.28 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.64 1hr6 h ARG 142 Cb 1.74 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.77 1hr6 h ARG 142 CO 0.06 0.14 -0.62 1.49 -1.07 0.00 0.00 179.97 179.98 1hr6 h GLU 143 N 0.00 0.00 -0.97 0.04 4.57 -1.36 -3.23 114.58 113.63 1hr6 h GLU 143 Ca -0.00 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.37 1hr6 h GLU 143 Cb 0.27 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.76 1hr6 h GLU 143 CO 0.02 0.62 0.61 0.00 -1.18 0.00 0.00 179.01 179.08 1hr6 h ARG 144 N 0.00 0.62 -0.28 1.92 3.08 -1.52 -0.12 114.38 118.08 1hr6 h ARG 144 Ca -0.01 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.82 1hr6 h ARG 144 Cb 1.15 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1hr6 h ARG 144 CO 0.08 0.41 -0.56 0.22 -1.07 0.00 0.00 179.97 179.05 1hr6 h ASP 145 N 0.64 0.98 -0.73 7.04 1.82 -1.71 -2.64 116.42 121.82 1hr6 h ASP 145 Ca 0.54 -0.54 0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1hr6 h ASP 145 Cb 1.00 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 40.70 1hr6 h ASP 145 CO -0.30 1.33 0.48 0.58 -1.61 0.00 0.00 179.24 179.72 1hr6 h VAL 146 N 0.66 1.17 -0.65 2.25 2.07 -1.17 -1.24 116.25 119.34 1hr6 h VAL 146 Ca 0.01 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 1hr6 h VAL 146 Cb 1.17 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1hr6 h VAL 146 CO 0.12 0.18 0.11 0.40 0.02 0.00 0.00 177.57 178.40 1hr6 h ILE 147 N 0.97 1.26 -0.26 4.57 1.08 -1.24 -1.59 117.51 122.30 1hr6 h ILE 147 Ca 0.27 -1.01 -0.01 0.00 -0.39 0.00 0.00 64.86 63.72 1hr6 h ILE 147 Cb -0.09 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 1hr6 h ILE 147 CO -0.07 0.38 0.13 0.40 -0.69 0.00 0.00 178.15 178.30 1hr6 h ILE 148 N 0.99 1.13 -0.42 -0.67 1.08 -1.08 0.59 117.51 119.14 1hr6 h ILE 148 Ca 0.20 -0.37 0.05 0.00 -0.39 0.00 0.00 64.86 64.34 1hr6 h ILE 148 Cb 0.42 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 35.04 1hr6 h ILE 148 CO 0.01 0.13 0.17 -0.09 -0.69 0.00 0.00 178.15 177.68 1hr6 h ARG 149 N 0.29 0.33 -0.90 2.37 9.65 -1.05 -0.33 114.38 124.75 1hr6 h ARG 149 Ca 0.09 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.99 1hr6 h ARG 149 Cb 0.09 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.54 1hr6 h ARG 149 CO -0.01 0.22 0.58 1.49 2.80 0.00 0.00 179.97 185.04 1hr6 h GLU 150 N 0.34 1.07 -0.65 0.20 4.81 -0.86 -2.02 114.58 117.48 1hr6 h GLU 150 Ca 0.19 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1hr6 h GLU 150 Cb 0.16 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1hr6 h GLU 150 CO -0.18 0.71 0.26 1.03 -0.73 0.00 0.00 179.01 180.10 1hr6 h SER 151 N 1.10 0.89 0.39 1.04 0.87 0.47 -2.24 113.55 116.07 1hr6 h SER 151 Ca 0.37 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 1hr6 h SER 151 Cb 0.05 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 1hr6 h SER 151 CO -0.13 0.82 -0.20 -0.33 -0.53 0.00 0.00 176.83 176.45 1hr6 h GLU 152 N 0.91 0.00 -0.04 2.24 5.08 -0.46 -2.50 114.58 119.81 1hr6 h GLU 152 Ca 0.22 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.38 1hr6 h GLU 152 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1hr6 h GLU 152 CO -0.02 0.20 -0.82 0.93 -1.00 0.00 0.00 179.01 178.30 1hr6 h GLU 153 N 0.00 0.37 -0.06 2.33 4.39 -0.81 -3.07 114.58 117.73 1hr6 h GLU 153 Ca -0.00 -0.35 -0.13 0.00 0.34 0.00 0.00 59.36 59.22 1hr6 h GLU 153 Cb 0.45 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1hr6 h GLU 153 CO 0.03 1.01 -0.53 0.28 -1.16 0.00 0.00 179.01 178.63 1hr6 h VAL 154 N 0.23 1.37 0.00 3.13 2.07 -1.12 -2.51 116.25 119.42 1hr6 h VAL 154 Ca -0.05 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.65 1hr6 h VAL 154 Cb 1.43 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1hr6 h VAL 154 CO 0.14 0.53 0.00 0.47 0.02 0.00 0.00 177.57 178.73 1hr6 n ASP 155 N -3.92 0.55 -0.46 0.57 8.00 -0.97 -0.83 116.55 119.48 1hr6 n ASP 155 Ca -0.02 0.74 0.12 0.00 0.71 0.00 0.00 54.79 56.35 1hr6 n ASP 155 Cb 0.56 -0.82 0.15 0.00 -0.02 0.00 0.00 41.12 40.99 1hr6 n ASP 155 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1hr6 n LYS 156 N -2.23 1.22 -3.50 -1.24 5.02 -0.94 -4.63 118.16 111.86 1hr6 n LYS 156 Ca -0.01 -0.93 -0.42 0.00 -2.02 0.00 0.00 58.31 54.94 1hr6 n LYS 156 Cb 0.05 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.53 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 -2.42 3.28 0.43 1.97 -1.94 -0.01 -4.95 119.30 115.66 1hr6 s MET 157 Ca 0.22 -2.70 0.18 0.00 -1.71 0.00 0.00 55.69 51.69 1hr6 s MET 157 Cb 0.19 -4.14 1.11 0.00 2.01 0.00 0.00 34.83 34.00 1hr6 s MET 157 CO 0.52 -1.24 1.87 1.88 -0.01 0.00 0.00 175.02 178.04 1hr6 h TYR 158 N 7.14 0.48 -0.42 -0.03 0.05 -1.82 -0.34 116.97 122.04 1hr6 h TYR 158 Ca 0.08 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 1hr6 h TYR 158 Cb 0.96 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.53 1hr6 h TYR 158 CO 0.85 0.14 0.16 0.38 -1.05 0.00 0.00 178.16 178.64 1hr6 h ASP 159 N 0.37 0.59 -0.25 3.88 2.03 -1.93 -0.76 116.42 120.35 1hr6 h ASP 159 Ca 0.45 -0.18 0.01 0.00 -0.73 0.00 0.00 57.03 56.58 1hr6 h ASP 159 Cb 1.16 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 39.49 1hr6 h ASP 159 CO -0.15 0.61 0.15 -0.33 -1.03 0.00 0.00 179.24 178.49 1hr6 h GLU 160 N 0.54 0.30 -0.18 4.15 4.39 -1.41 -1.56 114.58 120.81 1hr6 h GLU 160 Ca 0.14 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.85 1hr6 h GLU 160 Cb 0.21 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 1hr6 h GLU 160 CO -0.01 0.20 0.01 0.28 -1.16 0.00 0.00 179.01 178.32 1hr6 h VAL 161 N 0.31 0.88 -0.53 3.13 2.07 -1.17 0.19 116.25 121.13 1hr6 h VAL 161 Ca 0.10 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1hr6 h VAL 161 Cb -0.01 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1hr6 h VAL 161 CO -0.04 0.01 0.32 0.58 0.02 0.00 0.00 177.57 178.46 1hr6 h VAL 162 N 0.07 1.07 -0.05 2.57 2.07 -0.92 -1.77 116.25 119.30 1hr6 h VAL 162 Ca 0.08 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 67.26 1hr6 h VAL 162 Cb 0.10 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1hr6 h VAL 162 CO -0.14 0.12 -0.54 -0.26 0.02 0.00 0.00 177.57 176.77 1hr6 h PHE 163 N 0.65 0.18 -0.51 1.57 0.04 -0.95 0.22 116.94 118.14 1hr6 h PHE 163 Ca 0.21 -0.06 -0.10 0.00 2.80 0.00 0.00 57.97 60.82 1hr6 h PHE 163 Cb 0.00 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 1hr6 h PHE 163 CO -0.06 0.65 -0.06 -0.44 -0.60 0.00 0.00 178.31 177.80 1hr6 h ASP 164 N 0.11 0.94 -0.45 2.17 3.32 -0.63 -1.50 116.42 120.38 1hr6 h ASP 164 Ca -0.00 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 56.61 1hr6 h ASP 164 Cb 0.99 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1hr6 h ASP 164 CO 0.08 1.05 -0.09 0.45 -1.72 0.00 0.00 179.24 179.01 1hr6 h HIS 165 N 0.81 1.00 -0.87 4.55 3.86 -1.13 -1.88 115.15 121.48 1hr6 h HIS 165 Ca 0.14 -0.19 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 1hr6 h HIS 165 Cb 0.61 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.79 1hr6 h HIS 165 CO 0.04 0.94 0.44 1.25 0.86 0.00 0.00 177.93 181.47 1hr6 h LEU 166 N 0.82 1.12 -0.69 2.43 5.85 -0.76 -1.73 115.31 122.35 1hr6 h LEU 166 Ca 0.14 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1hr6 h LEU 166 Cb 0.61 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1hr6 h LEU 166 CO 0.04 0.93 0.07 0.45 -0.34 0.00 0.00 178.44 179.59 1hr6 h HIS 167 N 1.24 1.16 -0.39 1.25 3.86 -1.01 -1.18 115.15 120.07 1hr6 h HIS 167 Ca 0.30 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1hr6 h HIS 167 Cb 0.09 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 1hr6 h HIS 167 CO 0.01 0.99 0.23 1.49 0.86 0.00 0.00 177.93 181.51 1hr6 h GLU 168 N 1.01 0.54 0.00 2.45 4.81 -0.61 -1.39 114.58 121.38 1hr6 h GLU 168 Ca 0.19 -0.05 -0.23 0.00 -0.13 0.00 0.00 59.36 59.14 1hr6 h GLU 168 Cb 0.48 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1hr6 h GLU 168 CO 0.02 0.41 -1.17 -0.84 -0.73 0.00 0.00 179.01 176.70 1hr6 h ILE 169 N 0.51 1.50 -0.10 2.32 3.07 -1.30 -3.11 117.51 120.41 1hr6 h ILE 169 Ca 0.14 -3.24 -0.22 0.00 1.55 0.00 0.00 64.86 63.09 1hr6 h ILE 169 Cb 0.01 2.74 0.01 0.00 -0.27 0.00 0.00 36.82 39.31 1hr6 h ILE 169 CO -0.03 0.85 -0.83 0.74 -1.05 0.00 0.00 178.15 177.84 1hr6 h THR 170 N 0.00 1.31 -1.97 0.16 2.02 -1.20 -3.20 112.91 110.04 1hr6 h THR 170 Ca -0.08 -2.10 -0.69 0.00 0.77 0.00 0.00 66.41 64.31 1hr6 h THR 170 Cb 1.82 2.12 -0.34 0.00 -1.74 0.00 0.00 68.15 70.01 1hr6 h THR 170 CO 0.12 0.65 0.23 -1.22 0.37 0.00 0.00 175.52 175.67 1hr6 n TYR 171 N -3.88 3.27 -1.65 3.16 4.01 -0.53 -0.26 117.16 121.28 1hr6 n TYR 171 Ca -0.07 -2.91 -0.55 0.00 -0.16 0.00 0.00 57.90 54.21 1hr6 n TYR 171 Cb 0.77 -0.74 -0.07 0.00 -0.31 0.00 0.00 39.34 38.99 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 -0.37 1.16 -3.54 -0.72 3.00 -1.17 -1.74 118.16 114.77 1hr6 n LYS 172 Ca 0.44 0.42 -0.26 0.00 -0.00 0.00 0.00 58.31 58.91 1hr6 n LYS 172 Cb 0.39 -2.08 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 3.88 -4.19 -4.42 3.14 8.00 -1.26 -4.97 116.55 116.72 1hr6 n ASP 173 Ca 0.22 -0.53 -0.21 0.00 0.71 0.00 0.00 54.79 54.98 1hr6 n ASP 173 Cb 0.16 -3.42 -0.10 0.00 -0.02 0.00 0.00 41.12 37.74 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 -6.22 1.53 0.16 -1.24 -0.21 -0.71 -5.04 119.66 107.93 1hr6 s GLN 174 Ca 0.49 -1.75 -0.16 0.00 0.02 0.00 0.00 55.36 53.97 1hr6 s GLN 174 Cb -0.25 -1.24 0.10 0.00 1.00 0.00 0.00 33.01 32.62 1hr6 s GLN 174 CO 0.60 0.11 1.72 -1.35 -2.12 0.00 0.00 175.29 174.25 1hr6 h PRO 175 N 2.33 0.19 0.00 2.91 0.11 -1.87 -1.11 132.00 134.55 1hr6 h PRO 175 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1hr6 h PRO 175 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1hr6 h PRO 175 CO 0.65 0.12 0.00 1.25 -0.21 0.00 0.00 178.00 179.82 1hr6 h LEU 176 N 0.19 0.00 -0.01 2.35 5.85 -1.87 -2.30 115.31 119.52 1hr6 h LEU 176 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1hr6 h LEU 176 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1hr6 h LEU 176 CO -0.25 0.00 -0.02 0.61 -0.34 0.00 0.00 178.44 178.44 1hr6 n GLY 177 N -0.89 -1.33 3.90 3.75 0.00 -0.42 -4.81 105.19 105.39 1hr6 n GLY 177 Ca -0.02 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.70 3.62 0.89 1.61 0.52 -0.86 -3.20 118.95 118.83 1hr6 s ARG 178 Ca 0.24 -0.09 -0.14 0.00 -0.52 0.00 0.00 55.73 55.22 1hr6 s ARG 178 Cb 0.20 -2.78 0.14 0.00 0.52 0.00 0.00 34.95 33.02 1hr6 s ARG 178 CO 0.49 0.38 1.22 0.95 0.02 0.00 0.00 175.30 178.36 1hr6 s THR 179 N -1.81 1.98 -0.05 0.02 -4.23 -1.26 -4.94 115.64 105.35 1hr6 s THR 179 Ca 0.42 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.85 1hr6 s THR 179 Cb -0.11 -2.94 -0.29 0.00 1.34 0.00 0.00 72.50 70.50 1hr6 s THR 179 CO 0.26 0.00 0.67 0.40 -0.54 0.00 0.00 174.62 175.41 1hr6 h ILE 180 N -1.39 0.93 -0.19 2.99 2.04 -1.96 -3.35 117.51 116.59 1hr6 h ILE 180 Ca -0.46 -2.55 -0.15 0.00 1.00 0.00 0.00 64.86 62.70 1hr6 h ILE 180 Cb 1.30 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 40.09 1hr6 h ILE 180 CO 0.55 0.84 -0.50 -0.07 0.00 0.00 0.00 178.15 178.98 1hr6 h LEU 181 N 0.09 0.55 0.00 1.44 4.07 -1.95 -3.38 115.31 116.13 1hr6 h LEU 181 Ca -0.33 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.35 1hr6 h LEU 181 Cb 2.07 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 43.66 1hr6 h LEU 181 CO 0.16 0.95 0.00 0.61 -1.08 0.00 0.00 178.44 179.09 1hr6 n GLY 182 N 0.13 -0.68 3.77 0.83 0.00 -1.26 -4.32 105.19 103.66 1hr6 n GLY 182 Ca -0.02 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.97 2.89 0.23 1.61 0.02 -1.26 -4.85 135.00 131.66 1hr6 s PRO 183 Ca 0.00 1.50 -0.06 0.00 0.02 0.00 0.00 61.00 62.46 1hr6 s PRO 183 Cb 0.00 -1.95 0.32 0.00 0.02 0.00 0.00 34.50 32.89 1hr6 s PRO 183 CO 0.00 -1.20 1.83 0.82 -0.33 0.00 0.00 177.00 178.12 1hr6 h ILE 184 N 0.34 0.99 -0.77 2.83 1.08 -1.98 -1.43 117.51 118.57 1hr6 h ILE 184 Ca -0.48 -0.29 0.12 0.00 -0.39 0.00 0.00 64.86 63.83 1hr6 h ILE 184 Cb 1.26 0.07 -0.13 0.00 -3.07 0.00 0.00 36.82 34.94 1hr6 h ILE 184 CO 0.54 0.15 -0.37 0.50 -0.69 0.00 0.00 178.15 178.29 1hr6 h LYS 185 N 0.85 -0.09 -0.44 2.37 3.64 -2.00 -0.65 116.57 120.25 1hr6 h LYS 185 Ca 0.36 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.61 1hr6 h LYS 185 Cb 0.22 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1hr6 h LYS 185 CO -0.19 -0.06 -0.24 -0.91 -2.27 0.00 0.00 179.45 175.77 1hr6 h ASN 186 N -0.09 0.96 -0.14 4.20 4.21 -1.66 -2.57 115.58 120.48 1hr6 h ASN 186 Ca 0.28 -0.37 0.04 0.00 1.21 0.00 0.00 56.30 57.46 1hr6 h ASN 186 Cb 0.57 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.50 1hr6 h ASN 186 CO -0.82 1.15 0.20 0.40 -1.29 0.00 0.00 177.43 177.07 1hr6 h ILE 187 N 0.80 0.34 0.00 2.81 2.04 -0.14 0.53 117.51 123.88 1hr6 h ILE 187 Ca 0.10 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 1hr6 h ILE 187 Cb 0.81 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1hr6 h ILE 187 CO 0.07 0.00 -1.53 0.29 0.00 0.00 0.00 178.15 176.98 1hr6 n LYS 188 N -3.58 0.63 0.00 2.37 5.02 -0.68 -4.47 118.16 117.44 1hr6 n LYS 188 Ca 0.01 0.04 0.08 0.00 -2.02 0.00 0.00 58.31 56.41 1hr6 n LYS 188 Cb 0.31 -1.70 -0.08 0.00 -0.02 0.00 0.00 35.03 33.54 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 -2.61 0.95 -4.71 4.39 3.41 0.01 -4.99 113.62 110.06 1hr6 n SER 189 Ca -0.07 -0.97 -0.43 0.00 -0.26 0.00 0.00 58.87 57.14 1hr6 n SER 189 Cb 0.68 0.90 -0.03 0.00 -0.26 0.00 0.00 64.21 65.51 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 -1.16 0.41 -4.37 -1.33 2.08 -0.22 -5.00 119.36 109.77 1hr6 n ILE 190 Ca 0.04 -0.10 -0.24 0.00 0.56 0.00 0.00 62.75 63.01 1hr6 n ILE 190 Cb 0.28 -1.83 -0.09 0.00 -0.75 0.00 0.00 39.64 37.25 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 0.63 2.96 0.59 1.39 -4.23 -1.26 -5.00 115.64 110.72 1hr6 s THR 191 Ca 0.72 -2.09 0.29 0.00 -1.18 0.00 0.00 61.69 59.43 1hr6 s THR 191 Cb -0.55 -2.55 0.39 0.00 1.34 0.00 0.00 72.50 71.13 1hr6 s THR 191 CO 0.40 -0.33 1.89 -0.09 -0.54 0.00 0.00 174.62 175.95 1hr6 h ARG 192 N 2.26 0.00 0.01 3.99 2.43 -1.94 0.19 114.38 121.31 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 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1hr6 h ARG 192 CO 0.59 0.00 -0.00 1.15 -1.51 0.00 0.00 179.97 180.19 1hr6 h THR 193 N 0.00 1.36 -0.57 0.20 2.02 -1.99 -1.52 112.91 112.41 1hr6 h THR 193 Ca 0.22 -1.10 0.11 0.00 0.77 0.00 0.00 66.41 66.42 1hr6 h THR 193 Cb 1.20 2.10 -0.09 0.00 -1.74 0.00 0.00 68.15 69.62 1hr6 h THR 193 CO -0.00 0.28 0.02 0.44 0.37 0.00 0.00 175.52 176.63 1hr6 h ASP 194 N -0.48 -0.21 0.34 4.18 3.32 -1.05 0.75 116.42 123.28 1hr6 h ASP 194 Ca -0.00 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1hr6 h ASP 194 Cb 0.47 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1hr6 h ASP 194 CO 0.00 -0.08 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.05 1hr6 h LEU 195 N 0.14 -0.85 -1.77 1.55 3.38 -1.32 -0.22 115.31 116.22 1hr6 h LEU 195 Ca 0.29 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 1hr6 h LEU 195 Cb 0.46 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1hr6 h LEU 195 CO -0.47 -0.46 -0.16 0.11 0.09 0.00 0.00 178.44 177.56 1hr6 h LYS 196 N -0.68 0.00 -0.28 1.13 1.57 -0.86 -1.16 116.57 116.29 1hr6 h LYS 196 Ca -0.02 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1hr6 h LYS 196 Cb 0.61 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1hr6 h LYS 196 CO -0.05 0.16 -0.36 -0.44 -0.57 0.00 0.00 179.45 178.20 1hr6 h ASP 197 N 0.00 0.80 -0.17 0.86 3.32 -0.38 0.23 116.42 121.07 1hr6 h ASP 197 Ca -0.00 -0.50 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 1hr6 h ASP 197 Cb 0.33 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1hr6 h ASP 197 CO 0.02 1.14 0.09 0.22 -1.72 0.00 0.00 179.24 178.98 1hr6 h TYR 198 N 0.48 0.25 0.01 4.55 5.03 -0.48 0.50 116.97 127.31 1hr6 h TYR 198 Ca 0.03 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.36 1hr6 h TYR 198 Cb 0.94 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 39.11 1hr6 h TYR 198 CO 0.08 0.27 -0.19 0.82 -1.32 0.00 0.00 178.16 177.81 1hr6 h ILE 199 N 0.16 0.55 -0.36 1.81 2.04 -1.15 -0.58 117.51 119.98 1hr6 h ILE 199 Ca 0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1hr6 h ILE 199 Cb 0.11 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1hr6 h ILE 199 CO -0.01 0.00 0.13 0.74 0.00 0.00 0.00 178.15 179.01 1hr6 h THR 200 N -0.32 0.90 -0.40 -0.27 2.02 -0.71 0.17 112.91 114.30 1hr6 h THR 200 Ca 0.05 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 1hr6 h THR 200 Cb 0.38 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1hr6 h THR 200 CO -0.17 0.05 -0.08 0.50 0.37 0.00 0.00 175.52 176.20 1hr6 h LYS 201 N 0.28 0.77 0.01 6.66 3.64 -0.73 -3.38 116.57 123.81 1hr6 h LYS 201 Ca 0.16 -0.28 -0.36 0.00 -1.27 0.00 0.00 60.65 58.91 1hr6 h LYS 201 Cb 0.14 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 1hr6 h LYS 201 CO -0.17 0.89 -2.22 0.09 -2.27 0.00 0.00 179.45 175.77 1hr6 n ASN 202 N -4.35 0.79 -4.57 4.20 3.02 -0.24 -4.78 115.26 109.32 1hr6 n ASN 202 Ca -0.01 0.09 -0.36 0.00 -0.03 0.00 0.00 54.58 54.27 1hr6 n ASN 202 Cb 0.35 0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.79 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 -2.53 2.34 -0.01 3.10 1.51 0.04 -4.89 117.35 116.91 1hr6 s TYR 203 Ca -0.15 -0.51 0.07 0.00 -1.01 0.00 0.00 57.07 55.47 1hr6 s TYR 203 Cb 0.07 -4.42 -0.02 0.00 -0.11 0.00 0.00 41.96 37.48 1hr6 s TYR 203 CO 0.78 -1.66 -0.22 0.15 -1.11 0.00 0.00 175.55 173.49 1hr6 s LYS 204 N 5.47 2.15 0.25 -0.62 -0.14 -1.26 -4.48 119.74 121.12 1hr6 s LYS 204 Ca 0.59 -0.91 -0.03 0.00 -1.36 0.00 0.00 55.97 54.26 1hr6 s LYS 204 Cb 0.00 -2.14 0.48 0.00 -1.68 0.00 0.00 37.83 34.49 1hr6 s LYS 204 CO 0.04 0.57 1.76 0.78 -0.76 0.00 0.00 175.35 177.73 1hr6 h GLY 205 N 5.19 1.27 1.15 -3.33 0.00 -1.21 0.17 103.07 106.32 1hr6 h GLY 205 Ca -0.45 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1hr6 h GLY 205 CO 0.47 -0.03 0.00 2.09 0.00 0.00 0.00 176.54 179.07 1hr6 n ASP 206 N -4.90 0.00 -0.22 0.19 5.75 -1.12 -0.99 116.55 115.27 1hr6 n ASP 206 Ca 0.15 -0.39 0.06 0.00 -0.01 0.00 0.00 54.79 54.61 1hr6 n ASP 206 Cb 0.40 -0.08 0.12 0.00 -1.03 0.00 0.00 41.12 40.53 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 -1.08 2.19 -4.08 0.11 1.74 0.58 -4.47 116.66 111.64 1hr6 n ARG 207 Ca 0.12 -2.24 -0.08 0.00 -0.77 0.00 0.00 57.85 54.88 1hr6 n ARG 207 Cb 0.08 -1.37 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 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 -2.12 0.59 -0.03 5.56 0.23 -0.98 -0.16 119.30 122.38 1hr6 s MET 208 Ca 0.23 -1.15 0.03 0.00 -1.03 0.00 0.00 55.69 53.77 1hr6 s MET 208 Cb 0.19 0.15 0.00 0.00 -1.53 0.00 0.00 34.83 33.65 1hr6 s MET 208 CO 0.04 -0.09 -0.10 0.08 -2.03 0.00 0.00 175.02 172.92 1hr6 s VAL 209 N -3.55 0.90 -0.33 5.16 1.01 0.34 -2.32 120.40 121.60 1hr6 s VAL 209 Ca 0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1hr6 s VAL 209 Cb 0.05 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.64 1hr6 s VAL 209 CO -0.08 0.28 0.16 -0.22 0.00 0.00 0.00 175.10 175.24 1hr6 s LEU 210 N 0.27 4.30 -0.10 3.92 2.96 0.46 -0.60 118.68 129.89 1hr6 s LEU 210 Ca -0.05 -0.76 -0.00 0.00 -0.22 0.00 0.00 54.13 53.10 1hr6 s LEU 210 Cb -0.10 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1hr6 s LEU 210 CO 0.01 -0.27 -0.08 0.00 -1.32 0.00 0.00 176.35 174.69 1hr6 s ALA 211 N 1.56 2.89 0.07 5.97 0.00 0.28 -1.48 121.76 131.05 1hr6 s ALA 211 Ca 0.03 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1hr6 s ALA 211 Cb -0.18 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 1hr6 s ALA 211 CO 0.06 0.42 -0.07 0.20 0.00 0.00 0.00 175.76 176.37 1hr6 s GLY 212 N -0.29 0.62 -0.03 0.00 0.00 -0.36 -0.81 107.32 106.45 1hr6 s GLY 212 Ca 0.04 -1.05 -0.29 0.00 0.00 0.00 0.00 44.72 43.42 1hr6 s GLY 212 CO 0.02 -1.13 0.63 0.00 0.00 0.00 0.00 173.10 172.62 1hr6 s ALA 213 N -2.55 -1.65 0.00 3.20 0.00 -0.84 -1.85 121.76 118.07 1hr6 s ALA 213 Ca 0.01 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1hr6 s ALA 213 Cb -0.02 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1hr6 s ALA 213 CO -0.03 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1hr6 n GLY 214 N 0.85 0.39 3.26 0.00 0.00 -0.93 -1.62 105.19 107.14 1hr6 n GLY 214 Ca -0.19 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.23 4.03 -3.48 4.61 0.00 -0.26 -1.58 120.51 123.59 1hr6 n ALA 215 Ca 0.00 -3.74 -0.24 0.00 0.00 0.00 0.00 53.44 49.46 1hr6 n ALA 215 Cb 0.00 -3.58 -0.17 0.00 0.00 0.00 0.00 19.45 15.71 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 4.62 1.04 -0.34 0.00 1.01 -1.26 -4.77 120.40 120.70 1hr6 s VAL 216 Ca 0.53 -0.43 -0.19 0.00 0.00 0.00 0.00 61.98 61.90 1hr6 s VAL 216 Cb 0.08 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 1hr6 s VAL 216 CO 0.03 0.33 0.55 -0.62 0.00 0.00 0.00 175.10 175.40 1hr6 s ASP 217 N 0.70 6.37 0.16 3.32 -1.08 -1.26 -4.65 116.67 120.23 1hr6 s ASP 217 Ca -0.14 0.12 -0.16 0.00 -0.52 0.00 0.00 52.55 51.85 1hr6 s ASP 217 Cb -0.16 -2.29 0.07 0.00 -1.46 0.00 0.00 42.92 39.09 1hr6 s ASP 217 CO 0.03 -0.48 1.72 -0.74 0.52 0.00 0.00 175.17 176.22 1hr6 h HIS 218 N 8.38 0.08 0.40 -5.34 -0.00 -1.99 -1.59 115.15 115.09 1hr6 h HIS 218 Ca -0.28 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.11 1hr6 h HIS 218 Cb 1.12 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.53 1hr6 h HIS 218 CO 0.74 -0.01 -0.34 0.93 -0.00 0.00 0.00 177.93 179.25 1hr6 h GLU 219 N 0.16 -0.72 -0.66 5.26 3.07 -2.00 -1.73 114.58 117.97 1hr6 h GLU 219 Ca 0.17 0.05 0.08 0.00 -0.50 0.00 0.00 59.36 59.16 1hr6 h GLU 219 Cb 0.20 0.16 -0.06 0.00 -0.84 0.00 0.00 28.75 28.21 1hr6 h GLU 219 CO -0.24 -0.48 0.32 0.87 -1.40 0.00 0.00 179.01 178.08 1hr6 h LYS 220 N -0.75 0.56 -0.20 2.33 1.57 -1.97 -1.36 116.57 116.75 1hr6 h LYS 220 Ca -0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1hr6 h LYS 220 Cb 0.65 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1hr6 h LYS 220 CO -0.02 0.37 0.07 1.25 -0.57 0.00 0.00 179.45 180.55 1hr6 h LEU 221 N 0.57 0.24 -0.39 2.94 5.85 -1.03 -1.30 115.31 122.19 1hr6 h LEU 221 Ca 0.31 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.95 1hr6 h LEU 221 Cb 0.30 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1hr6 h LEU 221 CO -0.24 0.23 -0.02 0.58 -0.34 0.00 0.00 178.44 178.66 1hr6 h VAL 222 N 0.27 1.26 0.03 1.05 2.07 -0.33 -0.63 116.25 119.98 1hr6 h VAL 222 Ca 0.07 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.57 1hr6 h VAL 222 Cb 0.08 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1hr6 h VAL 222 CO -0.01 0.35 -0.09 1.56 0.02 0.00 0.00 177.57 179.40 1hr6 h GLN 223 N 0.51 -0.16 -0.23 1.57 4.20 -0.91 -0.21 115.11 119.87 1hr6 h GLN 223 Ca 0.11 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1hr6 h GLN 223 Cb 0.50 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1hr6 h GLN 223 CO 0.02 -0.11 0.10 1.88 -0.67 0.00 0.00 178.83 180.05 1hr6 h TYR 224 N -0.17 0.30 0.15 2.96 0.05 -1.20 0.13 116.97 119.19 1hr6 h TYR 224 Ca 0.02 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1hr6 h TYR 224 Cb 0.19 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1hr6 h TYR 224 CO -0.14 0.24 -0.07 0.00 -1.05 0.00 0.00 178.16 177.14 1hr6 h ALA 225 N 1.80 -0.20 -0.35 3.88 0.00 -0.12 0.11 119.26 124.37 1hr6 h ALA 225 Ca 0.08 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1hr6 h ALA 225 Cb 0.06 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1hr6 h ALA 225 CO -0.01 -0.55 0.08 0.37 0.00 0.00 0.00 179.25 179.14 1hr6 h GLN 226 N -0.33 0.20 0.39 0.00 5.75 -0.30 0.78 115.11 121.59 1hr6 h GLN 226 Ca -0.02 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1hr6 h GLN 226 Cb 0.26 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 1hr6 h GLN 226 CO 0.03 0.13 -0.28 -0.22 -2.65 0.00 0.00 178.83 175.84 1hr6 h LYS 227 N 0.20 -0.63 0.00 1.69 3.64 -0.49 0.14 116.57 121.13 1hr6 h LYS 227 Ca 0.16 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1hr6 h LYS 227 Cb 0.18 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1hr6 h LYS 227 CO -0.21 -0.42 -0.64 0.66 -2.27 0.00 0.00 179.45 176.57 1hr6 n TYR 228 N -5.41 0.09 -0.14 1.91 4.01 0.35 -4.27 117.16 113.70 1hr6 n TYR 228 Ca -0.10 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1hr6 n TYR 228 Cb 0.31 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 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 -1.62 0.00 -0.03 -0.72 3.72 0.27 -4.77 117.46 114.31 1hr6 n PHE 229 Ca 0.05 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.52 1hr6 n PHE 229 Cb 0.36 0.00 0.45 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 0.58 1.25 1.37 0.00 -0.50 -1.56 103.07 104.20 1hr6 h GLY 230 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1hr6 h GLY 230 CO 0.00 0.17 0.00 -2.39 0.00 0.00 0.00 176.54 174.32 1hr6 n HIS 231 N -4.48 0.00 -2.63 5.60 1.44 -1.26 -4.75 115.22 109.14 1hr6 n HIS 231 Ca 0.06 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.34 1hr6 n HIS 231 Cb 0.18 -0.12 -0.03 0.00 0.12 0.00 0.00 29.99 30.14 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 -2.25 4.64 0.33 0.61 1.01 -0.59 -4.98 120.40 119.17 1hr6 s VAL 232 Ca 0.14 1.91 -0.28 0.00 0.00 0.00 0.00 61.98 63.75 1hr6 s VAL 232 Cb 0.07 -4.23 -0.13 0.00 0.00 0.00 0.00 36.38 32.10 1hr6 s VAL 232 CO 0.14 0.07 1.14 -2.65 0.00 0.00 0.00 175.10 173.80 1hr6 n PRO 233 N 4.55 1.71 -2.46 2.72 -0.02 -1.26 -4.41 135.00 135.83 1hr6 n PRO 233 Ca 0.08 0.60 -0.27 0.00 -2.02 0.00 0.00 63.50 61.89 1hr6 n PRO 233 Cb 0.49 -2.09 0.02 0.00 -0.02 0.00 0.00 33.50 31.90 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 -1.75 3.19 0.69 -0.52 2.20 -1.26 -1.14 119.74 121.16 1hr6 s LYS 234 Ca 0.57 0.11 -0.09 0.00 -0.36 0.00 0.00 55.97 56.21 1hr6 s LYS 234 Cb -0.63 -2.30 0.04 0.00 -1.51 0.00 0.00 37.83 33.43 1hr6 s LYS 234 CO 0.61 -0.50 1.04 -1.12 -0.36 0.00 0.00 175.35 175.01 1hr6 s SER 235 N -4.22 5.15 0.13 1.43 0.01 -1.26 -4.84 113.70 110.09 1hr6 s SER 235 Ca 0.51 0.78 0.24 0.00 1.31 0.00 0.00 55.95 58.79 1hr6 s SER 235 Cb -0.10 -1.53 0.22 0.00 0.21 0.00 0.00 66.02 64.81 1hr6 s SER 235 CO 0.45 -1.44 1.21 -0.33 0.41 0.00 0.00 173.24 173.55 1hr6 h GLU 236 N -0.59 0.00 -2.14 12.44 5.08 -2.01 -3.35 114.58 124.01 1hr6 h GLU 236 Ca -0.45 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.34 1hr6 h GLU 236 Cb 1.28 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.12 1hr6 h GLU 236 CO 0.62 0.00 -0.82 0.43 -1.00 0.00 0.00 179.01 178.25 1hr6 n SER 237 N -2.21 2.69 -4.67 1.42 7.64 -1.26 -5.09 113.62 112.13 1hr6 n SER 237 Ca 0.02 -3.27 -0.45 0.00 1.01 0.00 0.00 58.87 56.18 1hr6 n SER 237 Cb 0.46 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 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 0.60 2.08 -4.71 1.43 -0.02 -1.26 -5.01 135.00 128.11 1hr6 n PRO 238 Ca 0.27 0.75 -0.24 0.00 -2.02 0.00 0.00 63.50 62.26 1hr6 n PRO 238 Cb 0.47 -2.44 -0.15 0.00 -0.02 0.00 0.00 33.50 31.36 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 0.26 1.31 0.50 -1.45 -7.23 -1.26 -5.11 120.40 107.42 1hr6 s VAL 239 Ca 0.72 -0.79 -0.24 0.00 -1.81 0.00 0.00 61.98 59.86 1hr6 s VAL 239 Cb -0.66 -1.11 -0.07 0.00 0.56 0.00 0.00 36.38 35.11 1hr6 s VAL 239 CO 0.46 0.31 1.41 -2.84 -0.31 0.00 0.00 175.10 174.12 1hr6 s PRO 240 N -0.56 3.39 0.57 4.82 0.02 -1.26 -4.86 135.00 137.11 1hr6 s PRO 240 Ca 0.06 2.37 0.35 0.00 0.02 0.00 0.00 61.00 63.79 1hr6 s PRO 240 Cb -0.07 -2.46 1.46 0.00 0.02 0.00 0.00 34.50 33.45 1hr6 s PRO 240 CO -0.00 -1.03 1.72 -0.07 -0.33 0.00 0.00 177.00 177.28 1hr6 h LEU 241 N 1.88 0.00 -0.59 -5.54 3.38 -1.89 -1.34 115.31 111.21 1hr6 h LEU 241 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1hr6 h LEU 241 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1hr6 h LEU 241 CO 0.59 0.00 -0.38 0.61 0.09 0.00 0.00 178.44 179.35 1hr6 n GLY 242 N -1.72 -0.47 3.78 0.83 0.00 -1.25 -4.29 105.19 102.06 1hr6 n GLY 242 Ca 0.24 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.56 6.75 -0.44 1.61 1.04 -0.51 -4.89 113.70 114.71 1hr6 s SER 243 Ca 0.21 2.12 -0.43 0.00 0.48 0.00 0.00 55.95 58.33 1hr6 s SER 243 Cb 0.19 -2.59 -0.17 0.00 0.10 0.00 0.00 66.02 63.54 1hr6 s SER 243 CO 0.57 -0.50 1.92 -0.81 0.98 0.00 0.00 173.24 175.40 1hr6 n PRO 244 N 0.08 0.38 -0.36 4.02 -0.04 -1.26 -4.87 135.00 132.95 1hr6 n PRO 244 Ca 0.04 0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 1hr6 n PRO 244 Cb 0.49 -1.76 0.25 0.00 -0.04 0.00 0.00 33.50 32.44 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 8.06 0.94 0.00 0.54 9.65 -1.98 -3.48 114.38 128.11 1hr6 h ARG 245 Ca -0.29 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.53 1hr6 h ARG 245 Cb 1.37 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 1hr6 h ARG 245 CO 1.02 0.62 0.00 0.41 2.80 0.00 0.00 179.97 184.83 1hr6 n GLY 246 N -1.35 -0.74 3.70 2.80 0.00 -1.26 -5.12 105.19 103.22 1hr6 n GLY 246 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.45 4.32 0.22 1.61 0.02 -1.26 -4.95 135.00 134.51 1hr6 s PRO 247 Ca 0.00 2.00 -0.32 0.00 0.02 0.00 0.00 61.00 62.71 1hr6 s PRO 247 Cb 0.00 -3.39 -0.14 0.00 0.02 0.00 0.00 34.50 31.00 1hr6 s PRO 247 CO 0.00 -0.47 1.45 1.28 -0.33 0.00 0.00 177.00 178.92 1hr6 n LEU 248 N 4.51 3.09 -4.67 -5.54 4.32 -1.26 -4.95 117.00 112.51 1hr6 n LEU 248 Ca 0.12 1.13 -0.34 0.00 -0.02 0.00 0.00 56.01 56.90 1hr6 n LEU 248 Cb 0.43 -1.43 0.12 0.00 -1.62 0.00 0.00 43.42 40.93 1hr6 n LEU 248 CO 0.58 -0.45 0.69 -2.65 -1.22 0.00 0.00 177.39 174.35 1hr6 n PRO 249 N 2.33 0.23 -5.00 3.23 -0.02 -1.26 -5.01 135.00 129.50 1hr6 n PRO 249 Ca 0.13 0.15 -0.28 0.00 -2.02 0.00 0.00 63.50 61.47 1hr6 n PRO 249 Cb 0.31 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.25 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 -2.07 1.69 -0.26 -1.45 0.11 -1.26 -5.01 120.40 112.15 1hr6 s VAL 250 Ca 0.73 -0.85 -0.29 0.00 -2.93 0.00 0.00 61.98 58.64 1hr6 s VAL 250 Cb -0.30 -1.45 0.00 0.00 -1.53 0.00 0.00 36.38 33.11 1hr6 s VAL 250 CO 0.51 0.48 1.19 0.12 -3.33 0.00 0.00 175.10 174.07 1hr6 s PHE 251 N 0.08 2.95 -0.22 1.54 2.19 -1.26 -4.51 117.98 118.75 1hr6 s PHE 251 Ca -0.07 1.08 -0.08 0.00 0.33 0.00 0.00 56.93 58.20 1hr6 s PHE 251 Cb -0.14 -3.64 -0.04 0.00 -1.31 0.00 0.00 43.02 37.90 1hr6 s PHE 251 CO 0.04 -1.28 0.08 0.00 1.83 0.00 0.00 175.22 175.89 1hr6 s ARG 253 N 0.98 4.18 0.00 0.00 1.70 -1.26 -4.27 118.95 120.27 1hr6 s ARG 253 Ca 0.04 1.40 0.00 0.00 -0.47 0.00 0.00 55.73 56.70 1hr6 s ARG 253 Cb -0.14 -2.45 0.00 0.00 -0.57 0.00 0.00 34.95 31.79 1hr6 s ARG 253 CO 0.03 -0.11 0.00 0.41 -1.08 0.00 0.00 175.30 174.55 1hr6 n GLY 254 N 0.13 -0.88 3.26 3.88 0.00 -1.20 -4.96 105.19 105.41 1hr6 n GLY 254 Ca 0.06 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 0.62 -0.18 1.61 -1.05 -1.26 -0.53 118.70 115.91 1hr6 s GLU 255 Ca 0.00 0.05 -0.05 0.00 -0.15 0.00 0.00 54.97 54.83 1hr6 s GLU 255 Cb 0.00 0.28 0.06 0.00 -0.44 0.00 0.00 34.13 34.03 1hr6 s GLU 255 CO 0.00 -0.15 0.08 0.50 0.95 0.00 0.00 175.26 176.64 1hr6 s ARG 256 N -0.85 0.14 -0.23 -4.83 3.52 -0.47 -4.96 118.95 111.27 1hr6 s ARG 256 Ca -0.09 -0.14 -0.14 0.00 -0.13 0.00 0.00 55.73 55.23 1hr6 s ARG 256 Cb -0.04 -1.85 -0.04 0.00 -1.56 0.00 0.00 34.95 31.46 1hr6 s ARG 256 CO 0.03 -0.68 0.33 -0.06 -0.81 0.00 0.00 175.30 174.12 1hr6 s PHE 257 N 2.10 3.32 -0.49 5.12 0.08 -1.26 -1.86 117.98 124.99 1hr6 s PHE 257 Ca 0.02 0.46 -0.01 0.00 0.12 0.00 0.00 56.93 57.52 1hr6 s PHE 257 Cb -0.16 -2.48 0.13 0.00 -0.57 0.00 0.00 43.02 39.94 1hr6 s PHE 257 CO -0.10 -0.06 0.28 0.42 -0.10 0.00 0.00 175.22 175.66 1hr6 s ILE 258 N 1.47 3.19 0.13 0.64 1.01 0.11 -4.98 121.20 122.77 1hr6 s ILE 258 Ca 0.15 -2.61 -0.31 0.00 0.00 0.00 0.00 60.65 57.88 1hr6 s ILE 258 Cb -0.15 -3.17 -0.08 0.00 0.01 0.00 0.00 42.46 39.07 1hr6 s ILE 258 CO 0.08 -0.76 1.40 -0.75 0.00 0.00 0.00 174.94 174.90 1hr6 s LYS 259 N 0.46 4.32 -0.47 2.79 2.20 -1.26 -1.66 119.74 126.11 1hr6 s LYS 259 Ca 0.13 2.10 0.06 0.00 -0.36 0.00 0.00 55.97 57.91 1hr6 s LYS 259 Cb -0.22 -3.23 0.18 0.00 -1.51 0.00 0.00 37.83 33.05 1hr6 s LYS 259 CO -0.04 -0.44 0.63 -2.00 -0.36 0.00 0.00 175.35 173.14 1hr6 s GLU 260 N 0.97 0.96 0.00 4.03 2.56 -0.77 -4.83 118.70 121.62 1hr6 s GLU 260 Ca 0.64 -1.01 0.12 0.00 0.00 0.00 0.00 54.97 54.72 1hr6 s GLU 260 Cb -0.37 -0.25 0.70 0.00 2.00 0.00 0.00 34.13 36.21 1hr6 s GLU 260 CO 0.31 -1.29 1.16 0.09 -0.56 0.00 0.00 175.26 174.97 1hr6 n ASN 261 N 3.37 0.00 0.09 -1.70 3.02 -1.26 -2.46 115.26 116.32 1hr6 n ASN 261 Ca 0.17 -0.78 0.11 0.00 -0.03 0.00 0.00 54.58 54.06 1hr6 n ASN 261 Cb 0.54 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.70 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 -0.82 0.56 -2.32 3.41 -2.24 -1.26 -4.91 114.28 106.70 1hr6 n THR 262 Ca 0.09 -0.54 -0.41 0.00 -2.27 0.00 0.00 64.05 60.92 1hr6 n THR 262 Cb 0.04 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 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 -5.25 4.43 0.28 3.22 1.43 -1.03 -4.95 118.68 116.80 1hr6 s LEU 263 Ca -0.01 2.27 0.10 0.00 -1.03 0.00 0.00 54.13 55.46 1hr6 s LEU 263 Cb 0.10 -3.60 0.38 0.00 0.03 0.00 0.00 46.19 43.09 1hr6 s LEU 263 CO 0.80 -0.45 1.63 -0.65 0.23 0.00 0.00 176.35 177.91 1hr6 h PRO 264 N 5.52 0.04 -6.53 1.29 0.11 -1.91 -3.43 132.00 127.09 1hr6 h PRO 264 Ca -0.44 -0.03 -0.63 0.00 0.11 0.00 0.00 66.00 65.01 1hr6 h PRO 264 Cb 1.21 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.10 1hr6 h PRO 264 CO 0.77 0.62 -0.85 0.95 -0.21 0.00 0.00 178.00 179.27 1hr6 s THR 265 N -3.70 1.98 -0.05 -1.15 -4.23 -1.26 -0.19 115.64 107.04 1hr6 s THR 265 Ca -0.02 -1.56 0.02 0.00 -1.18 0.00 0.00 61.69 58.94 1hr6 s THR 265 Cb 0.13 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.18 1hr6 s THR 265 CO 0.76 0.09 -0.07 -0.89 -0.54 0.00 0.00 174.62 173.97 1hr6 s THR 266 N -1.03 3.64 -0.15 3.99 2.01 0.10 -4.69 115.64 119.52 1hr6 s THR 266 Ca 0.10 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.55 1hr6 s THR 266 Cb -0.10 -2.51 0.02 0.00 0.01 0.00 0.00 72.50 69.92 1hr6 s THR 266 CO 0.04 0.54 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.33 1hr6 s HIS 267 N -0.85 2.52 -0.05 4.92 3.76 0.45 -0.57 115.29 125.46 1hr6 s HIS 267 Ca 0.14 -1.35 0.04 0.00 -0.15 0.00 0.00 55.06 53.74 1hr6 s HIS 267 Cb -0.11 -1.75 0.00 0.00 1.11 0.00 0.00 32.58 31.83 1hr6 s HIS 267 CO 0.03 -0.65 -0.16 0.42 -0.85 0.00 0.00 174.74 173.52 1hr6 s ILE 268 N 1.07 1.40 -0.10 0.60 1.09 0.78 -0.74 121.20 125.30 1hr6 s ILE 268 Ca -0.02 -0.68 0.02 0.00 -1.10 0.00 0.00 60.65 58.87 1hr6 s ILE 268 Cb -0.14 -1.22 0.01 0.00 -1.06 0.00 0.00 42.46 40.05 1hr6 s ILE 268 CO -0.06 0.41 -0.17 0.00 -0.10 0.00 0.00 174.94 175.02 1hr6 s ALA 269 N 0.21 1.77 -0.16 9.38 0.00 -0.36 0.11 121.76 132.71 1hr6 s ALA 269 Ca -0.08 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1hr6 s ALA 269 Cb -0.13 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.20 1hr6 s ALA 269 CO 0.03 0.02 -0.19 0.42 0.00 0.00 0.00 175.76 176.04 1hr6 s ILE 270 N 0.81 2.25 0.12 0.00 1.01 -0.46 -1.49 121.20 123.43 1hr6 s ILE 270 Ca -0.10 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.69 1hr6 s ILE 270 Cb -0.16 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1hr6 s ILE 270 CO 0.01 0.53 -0.09 0.00 0.00 0.00 0.00 174.94 175.39 1hr6 s ALA 271 N 1.00 1.22 0.15 9.38 0.00 -0.59 -1.16 121.76 131.75 1hr6 s ALA 271 Ca -0.02 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.60 1hr6 s ALA 271 Cb -0.15 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1hr6 s ALA 271 CO -0.05 -0.11 -0.01 -0.51 0.00 0.00 0.00 175.76 175.07 1hr6 s LEU 272 N -2.90 2.19 0.20 0.00 1.02 -0.62 -1.40 118.68 117.17 1hr6 s LEU 272 Ca 0.12 -1.13 -0.32 0.00 0.02 0.00 0.00 54.13 52.81 1hr6 s LEU 272 Cb 0.01 -0.02 -0.12 0.00 0.02 0.00 0.00 46.19 46.08 1hr6 s LEU 272 CO -0.01 -0.56 1.69 1.21 0.02 0.00 0.00 176.35 178.70 1hr6 n GLU 273 N -0.17 2.64 0.00 1.70 2.13 -1.26 -2.21 120.64 123.47 1hr6 n GLU 273 Ca -0.08 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.69 1hr6 n GLU 273 Cb 0.63 -2.78 0.00 0.00 0.27 0.00 0.00 31.44 29.56 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 3.75 1.93 3.24 8.31 0.00 0.29 -4.70 105.19 118.02 1hr6 n GLY 274 Ca 0.16 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.18 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 4.89 1.60 0.60 1.61 0.11 -1.26 -4.49 120.40 123.46 1hr6 s VAL 275 Ca 0.00 -1.23 -0.01 0.00 -2.93 0.00 0.00 61.98 57.81 1hr6 s VAL 275 Cb 0.00 -1.41 0.05 0.00 -1.53 0.00 0.00 36.38 33.49 1hr6 s VAL 275 CO 0.00 0.13 0.86 -0.94 -3.33 0.00 0.00 175.10 171.82 1hr6 s SER 276 N -1.30 5.09 0.31 3.54 1.04 -1.25 -3.79 113.70 117.34 1hr6 s SER 276 Ca 0.06 0.10 0.06 0.00 0.48 0.00 0.00 55.95 56.65 1hr6 s SER 276 Cb -0.09 -0.89 0.72 0.00 0.10 0.00 0.00 66.02 65.86 1hr6 s SER 276 CO 0.02 -1.32 1.82 -0.50 0.98 0.00 0.00 173.24 174.24 1hr6 h TRP 277 N -0.16 1.01 -0.02 5.02 4.06 -1.46 -2.31 115.95 122.09 1hr6 h TRP 277 Ca -0.42 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.56 1hr6 h TRP 277 Cb 1.30 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 1hr6 h TRP 277 CO 0.33 0.32 -0.04 -1.13 -3.56 0.00 0.00 178.44 174.36 1hr6 n SER 278 N -4.65 2.30 -4.63 -3.49 3.41 -1.26 -4.92 113.62 100.36 1hr6 n SER 278 Ca 0.20 -1.74 -0.44 0.00 -0.26 0.00 0.00 58.87 56.64 1hr6 n SER 278 Cb 0.49 0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.74 0.38 0.23 7.33 0.00 -0.87 -4.84 120.51 123.48 1hr6 n ALA 279 Ca 0.16 0.39 0.06 0.00 0.00 0.00 0.00 53.44 54.04 1hr6 n ALA 279 Cb 0.49 -2.13 0.51 0.00 0.00 0.00 0.00 19.45 18.33 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 2.55 0.00 -0.52 0.00 0.11 -1.93 -2.11 132.00 130.11 1hr6 h PRO 280 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1hr6 h PRO 280 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1hr6 h PRO 280 CO 0.64 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.21 1hr6 n ASP 281 N -4.26 2.78 -0.21 -2.05 5.75 -1.26 -4.60 116.55 112.69 1hr6 n ASP 281 Ca -0.02 -2.03 -0.05 0.00 -0.01 0.00 0.00 54.79 52.67 1hr6 n ASP 281 Cb 0.25 -0.35 0.01 0.00 -1.03 0.00 0.00 41.12 40.00 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 2.94 -0.91 -0.21 2.11 3.20 -1.66 -0.39 116.97 122.04 1hr6 h TYR 282 Ca 0.00 0.07 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 1hr6 h TYR 282 Cb 0.72 0.49 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1hr6 h TYR 282 CO 0.36 -0.38 -0.37 0.74 -1.64 0.00 0.00 178.16 176.86 1hr6 h PHE 283 N -0.16 0.54 -0.19 -3.82 0.04 -1.84 -2.48 116.94 109.04 1hr6 h PHE 283 Ca 0.24 -0.14 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 1hr6 h PHE 283 Cb 0.55 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 1hr6 h PHE 283 CO -0.64 0.77 -0.06 0.28 -0.60 0.00 0.00 178.31 178.07 1hr6 h VAL 284 N 0.39 1.16 -0.43 -0.55 2.07 -1.59 0.18 116.25 117.48 1hr6 h VAL 284 Ca 0.04 -0.65 -0.10 0.00 0.82 0.00 0.00 66.70 66.81 1hr6 h VAL 284 Cb 0.83 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1hr6 h VAL 284 CO 0.07 0.21 -0.11 0.00 0.02 0.00 0.00 177.57 177.76 1hr6 h ALA 285 N 1.66 0.59 -0.23 1.67 0.00 -0.68 -0.57 119.26 121.71 1hr6 h ALA 285 Ca 0.06 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1hr6 h ALA 285 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1hr6 h ALA 285 CO 0.01 0.48 -0.38 -0.07 0.00 0.00 0.00 179.25 179.29 1hr6 h LEU 286 N 0.66 0.55 -0.62 0.00 3.38 -0.96 -1.62 115.31 116.71 1hr6 h LEU 286 Ca 0.11 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1hr6 h LEU 286 Cb 0.64 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1hr6 h LEU 286 CO 0.04 0.88 0.19 0.00 0.09 0.00 0.00 178.44 179.64 1hr6 h ALA 287 N 1.15 0.81 -0.12 1.53 0.00 -0.37 -1.46 119.26 120.81 1hr6 h ALA 287 Ca 0.04 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1hr6 h ALA 287 Cb 0.86 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1hr6 h ALA 287 CO 0.07 0.49 -0.42 1.15 0.00 0.00 0.00 179.25 180.54 1hr6 h THR 288 N 0.89 1.31 -0.53 0.00 2.02 -0.82 -1.07 112.91 114.70 1hr6 h THR 288 Ca 0.20 -1.55 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 1hr6 h THR 288 Cb 0.30 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 1hr6 h THR 288 CO -0.00 0.47 0.30 -0.61 0.37 0.00 0.00 175.52 176.04 1hr6 h GLN 289 N 0.22 0.74 -0.06 6.66 4.15 -0.71 -2.42 115.11 123.68 1hr6 h GLN 289 Ca 0.02 -0.08 -0.10 0.00 0.77 0.00 0.00 58.65 59.25 1hr6 h GLN 289 Cb 0.84 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 1hr6 h GLN 289 CO 0.07 0.57 -0.44 0.00 -1.93 0.00 0.00 178.83 177.10 1hr6 h ALA 290 N 1.13 1.16 -0.49 3.38 0.00 -0.90 0.67 119.26 124.21 1hr6 h ALA 290 Ca 0.19 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1hr6 h ALA 290 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1hr6 h ALA 290 CO -0.03 0.59 0.04 0.82 0.00 0.00 0.00 179.25 180.66 1hr6 h ILE 291 N 0.12 1.23 0.06 0.00 2.04 -0.72 -2.94 117.51 117.31 1hr6 h ILE 291 Ca 0.01 -0.94 -0.13 0.00 1.00 0.00 0.00 64.86 64.81 1hr6 h ILE 291 Cb 0.82 0.82 0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1hr6 h ILE 291 CO 0.06 0.33 -0.53 0.58 0.00 0.00 0.00 178.15 178.60 1hr6 h VAL 292 N 0.75 1.55 -0.64 1.67 2.07 -1.19 -3.49 116.25 116.95 1hr6 h VAL 292 Ca 0.15 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.38 1hr6 h VAL 292 Cb 0.40 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 1hr6 h VAL 292 CO 0.01 0.64 0.00 0.61 0.02 0.00 0.00 177.57 178.85 1hr6 n GLY 293 N 1.41 -0.19 3.62 2.17 0.00 0.20 -4.95 105.19 107.45 1hr6 n GLY 293 Ca -0.12 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.58 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 3.66 -0.27 1.61 0.01 -1.26 -3.20 114.94 111.49 1hr6 s ASN 294 Ca 0.00 -1.43 -0.25 0.00 -0.71 0.00 0.00 52.86 50.46 1hr6 s ASN 294 Cb 0.00 -0.15 0.08 0.00 0.41 0.00 0.00 41.25 41.59 1hr6 s ASN 294 CO 0.00 -0.56 0.79 0.86 -1.51 0.00 0.00 177.10 176.68 1hr6 s TRP 295 N -2.85 -0.71 -0.05 2.20 -0.00 -0.34 -4.56 118.94 112.63 1hr6 s TRP 295 Ca 0.30 1.73 0.01 0.00 -0.00 0.00 0.00 56.10 58.14 1hr6 s TRP 295 Cb 0.08 0.30 0.02 0.00 -0.00 0.00 0.00 33.47 33.87 1hr6 s TRP 295 CO 0.15 -0.35 -0.05 0.34 -0.00 0.00 0.00 176.95 177.03 1hr6 s ASP 296 N 0.29 1.15 0.38 5.86 -1.08 -0.36 -0.94 116.67 121.97 1hr6 s ASP 296 Ca 0.00 -0.16 0.20 0.00 -0.52 0.00 0.00 52.55 52.08 1hr6 s ASP 296 Cb -0.05 -0.52 1.20 0.00 -1.46 0.00 0.00 42.92 42.09 1hr6 s ASP 296 CO -0.00 -0.05 1.67 -0.09 0.52 0.00 0.00 175.17 177.22 1hr6 h ARG 297 N 7.25 0.26 0.00 4.34 2.43 -1.42 0.31 114.38 127.54 1hr6 h ARG 297 Ca -0.35 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.62 1hr6 h ARG 297 Cb 1.16 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 1hr6 h ARG 297 CO 0.46 0.17 -1.08 0.00 -1.51 0.00 0.00 179.97 178.00 1hr6 h ALA 298 N 1.73 0.21 0.00 2.80 0.00 -1.97 -3.41 119.26 118.62 1hr6 h ALA 298 Ca 0.73 -1.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 1hr6 h ALA 298 Cb 1.92 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 20.36 1hr6 h ALA 298 CO -0.49 0.64 -0.72 0.82 0.00 0.00 0.00 179.25 179.51 1hr6 h ILE 299 N -1.00 1.38 0.00 0.00 1.08 -1.92 -3.50 117.51 113.56 1hr6 h ILE 299 Ca -0.27 -2.59 0.00 0.00 -0.39 0.00 0.00 64.86 61.61 1hr6 h ILE 299 Cb 1.14 2.45 0.00 0.00 -3.07 0.00 0.00 36.82 37.34 1hr6 h ILE 299 CO -0.17 0.71 0.00 0.61 -0.69 0.00 0.00 178.15 178.61 1hr6 n GLY 300 N 0.86 0.54 0.00 5.37 0.00 0.11 -4.50 105.19 107.57 1hr6 n GLY 300 Ca -0.00 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.96 2.61 -2.24 -1.26 -1.23 114.28 111.20 1hr6 n THR 301 Ca 0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1hr6 n THR 301 Cb 0.00 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 1.50 0.43 3.15 3.38 0.00 -1.26 -4.75 105.19 107.64 1hr6 n GLY 302 Ca -0.00 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.00 1.04 0.26 2.61 2.01 -1.26 -5.05 115.64 113.25 1hr6 s THR 303 Ca 0.00 -1.22 0.01 0.00 0.31 0.00 0.00 61.69 60.79 1hr6 s THR 303 Cb 0.00 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.56 1hr6 s THR 303 CO 0.00 -0.20 1.69 -1.13 -0.69 0.00 0.00 174.62 174.29 1hr6 h ASN 304 N 4.44 0.53 -3.34 3.53 -0.73 -2.04 -3.41 115.58 114.57 1hr6 h ASN 304 Ca -0.40 -0.19 -0.58 0.00 1.87 0.00 0.00 56.30 57.00 1hr6 h ASN 304 Cb 1.19 -0.15 -0.37 0.00 0.27 0.00 0.00 38.32 39.26 1hr6 h ASN 304 CO 0.41 0.79 -0.81 -0.44 -0.37 0.00 0.00 177.43 177.01 1hr6 s SER 305 N -6.81 3.02 0.46 1.15 0.01 -1.26 -5.13 113.70 105.15 1hr6 s SER 305 Ca -0.07 -0.72 -0.22 0.00 1.31 0.00 0.00 55.95 56.25 1hr6 s SER 305 Cb 0.13 -1.08 -0.08 0.00 0.21 0.00 0.00 66.02 65.21 1hr6 s SER 305 CO 0.80 -0.15 1.10 -2.84 0.41 0.00 0.00 173.24 172.57 1hr6 s PRO 306 N 1.52 3.80 0.80 12.44 0.02 -1.26 -5.06 135.00 147.27 1hr6 s PRO 306 Ca 0.01 1.60 -0.11 0.00 0.02 0.00 0.00 61.00 62.51 1hr6 s PRO 306 Cb -0.15 -2.31 0.07 0.00 0.02 0.00 0.00 34.50 32.13 1hr6 s PRO 306 CO -0.08 -0.47 1.09 -1.54 -0.33 0.00 0.00 177.00 175.67 1hr6 s SER 307 N -1.60 4.41 0.49 2.53 1.04 -1.26 -4.81 113.70 114.50 1hr6 s SER 307 Ca 0.64 1.36 0.14 0.00 0.48 0.00 0.00 55.95 58.57 1hr6 s SER 307 Cb -0.24 -2.09 1.17 0.00 0.10 0.00 0.00 66.02 64.97 1hr6 s SER 307 CO 0.29 -2.03 2.12 -0.65 0.98 0.00 0.00 173.24 173.94 1hr6 h PRO 308 N -1.13 0.14 -0.18 4.02 0.11 -1.99 -0.87 132.00 132.10 1hr6 h PRO 308 Ca -0.47 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1hr6 h PRO 308 Cb 1.27 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1hr6 h PRO 308 CO 0.58 0.09 -0.01 1.25 -0.21 0.00 0.00 178.00 179.70 1hr6 h LEU 309 N 0.14 0.31 -0.50 2.35 5.85 -1.91 -0.65 115.31 120.90 1hr6 h LEU 309 Ca 0.06 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1hr6 h LEU 309 Cb 0.06 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1hr6 h LEU 309 CO -0.01 0.56 0.33 0.00 -0.34 0.00 0.00 178.44 178.99 1hr6 h ALA 310 N 0.76 0.64 0.08 1.25 0.00 -1.71 0.14 119.26 120.42 1hr6 h ALA 310 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1hr6 h ALA 310 Cb 0.41 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1hr6 h ALA 310 CO 0.01 0.09 -0.04 0.28 0.00 0.00 0.00 179.25 179.59 1hr6 h VAL 311 N 0.68 0.91 -0.45 0.00 2.07 -1.12 -1.82 116.25 116.52 1hr6 h VAL 311 Ca 0.18 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.72 1hr6 h VAL 311 Cb -0.07 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1hr6 h VAL 311 CO -0.04 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.82 1hr6 h ALA 312 N 0.81 0.57 -0.97 1.67 0.00 -0.80 -1.83 119.26 118.71 1hr6 h ALA 312 Ca -0.01 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1hr6 h ALA 312 Cb 0.09 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.65 1hr6 h ALA 312 CO 0.01 -0.03 0.61 0.00 0.00 0.00 0.00 179.25 179.84 1hr6 h ALA 313 N 1.19 1.68 0.00 0.00 0.00 -0.45 -1.07 119.26 120.60 1hr6 h ALA 313 Ca 0.17 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1hr6 h ALA 313 Cb -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1hr6 h ALA 313 CO -0.07 0.04 -0.30 0.66 0.00 0.00 0.00 179.25 179.58 1hr6 h SER 314 N 0.83 0.00 -4.32 0.00 4.64 -0.85 0.19 113.55 114.05 1hr6 h SER 314 Ca 0.51 -0.08 -0.49 0.00 -0.47 0.00 0.00 61.79 61.26 1hr6 h SER 314 Cb 0.69 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.89 1hr6 h SER 314 CO -0.28 0.04 0.34 -1.10 -0.87 0.00 0.00 176.83 174.97 1hr6 s GLN 315 N -3.16 2.12 -0.32 4.77 -0.21 -0.41 -3.74 119.66 118.71 1hr6 s GLN 315 Ca 0.08 0.59 -0.03 0.00 0.02 0.00 0.00 55.36 56.02 1hr6 s GLN 315 Cb 0.11 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 32.20 1hr6 s GLN 315 CO 0.67 -1.58 0.22 0.27 -2.12 0.00 0.00 175.29 172.74 1hr6 n ASN 316 N -3.40 -1.62 0.00 5.90 6.94 -1.26 -0.98 115.26 120.84 1hr6 n ASN 316 Ca 0.07 -0.37 0.00 0.00 -0.02 0.00 0.00 54.58 54.26 1hr6 n ASN 316 Cb 0.57 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 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 -1.00 3.13 0.00 4.83 0.00 -1.26 -4.84 105.19 106.04 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 0.13 0.00 -0.00 1.61 3.41 -0.15 -4.96 113.62 113.66 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 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 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 0.00 0.82 -3.89 1.04 4.77 0.68 -4.96 117.00 115.45 1hr6 n LEU 319 Ca 0.00 -0.39 -0.03 0.00 -0.03 0.00 0.00 56.01 55.56 1hr6 n LEU 319 Cb 0.00 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1hr6 n LEU 319 CO 0.00 0.20 0.83 0.00 -1.33 0.00 0.00 177.39 177.10 1hr6 s ALA 320 N -3.09 -1.65 -0.07 -1.18 0.00 -1.26 -4.51 121.76 110.00 1hr6 s ALA 320 Ca 0.05 -0.32 0.10 0.00 0.00 0.00 0.00 51.96 51.79 1hr6 s ALA 320 Cb 0.16 0.78 -0.24 0.00 0.00 0.00 0.00 23.12 23.82 1hr6 s ALA 320 CO 0.87 -1.07 0.58 0.09 0.00 0.00 0.00 175.76 176.22 1hr6 n ASN 321 N -1.23 0.99 -3.60 0.00 3.02 0.62 -4.72 115.26 110.34 1hr6 n ASN 321 Ca -0.02 0.36 -0.03 0.00 -0.03 0.00 0.00 54.58 54.85 1hr6 n ASN 321 Cb 0.59 -0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.64 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 -6.18 -0.11 -0.02 6.41 1.04 -0.77 -1.15 113.70 112.92 1hr6 s SER 322 Ca -0.08 -0.03 -0.09 0.00 0.48 0.00 0.00 55.95 56.23 1hr6 s SER 322 Cb 0.08 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.35 1hr6 s SER 322 CO 0.82 -0.24 0.19 -0.72 0.98 0.00 0.00 173.24 174.27 1hr6 s TYR 323 N -2.40 -0.06 -0.04 5.02 -0.85 -0.12 -1.23 117.35 117.68 1hr6 s TYR 323 Ca 0.11 0.08 -0.02 0.00 -0.52 0.00 0.00 57.07 56.72 1hr6 s TYR 323 Cb 0.00 0.01 0.03 0.00 0.38 0.00 0.00 41.96 42.38 1hr6 s TYR 323 CO -0.04 -0.28 0.07 1.41 -1.52 0.00 0.00 175.55 175.18 1hr6 s MET 324 N -1.11 -0.05 0.35 -3.49 1.75 0.11 -1.20 119.30 115.66 1hr6 s MET 324 Ca -0.12 0.34 -0.25 0.00 -1.25 0.00 0.00 55.69 54.41 1hr6 s MET 324 Cb -0.06 -0.39 -0.10 0.00 2.84 0.00 0.00 34.83 37.12 1hr6 s MET 324 CO 0.02 -0.27 0.96 -1.12 -0.65 0.00 0.00 175.02 173.96 1hr6 s SER 325 N 1.81 7.20 0.04 1.11 0.01 -1.19 0.43 113.70 123.11 1hr6 s SER 325 Ca -0.00 1.84 -0.04 0.00 1.31 0.00 0.00 55.95 59.06 1hr6 s SER 325 Cb -0.12 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.51 1hr6 s SER 325 CO -0.03 -0.17 0.06 0.72 0.41 0.00 0.00 173.24 174.23 1hr6 s PHE 326 N -1.71 0.28 -0.21 2.43 -0.12 0.07 -4.90 117.98 113.82 1hr6 s PHE 326 Ca 0.53 -0.65 -0.04 0.00 -0.05 0.00 0.00 56.93 56.72 1hr6 s PHE 326 Cb -0.18 -0.20 0.11 0.00 -0.63 0.00 0.00 43.02 42.12 1hr6 s PHE 326 CO 0.23 -0.37 0.35 0.45 -0.05 0.00 0.00 175.22 175.83 1hr6 s SER 327 N -2.32 0.32 -0.10 1.98 0.15 -1.26 -0.59 113.70 111.88 1hr6 s SER 327 Ca -0.02 0.37 -0.01 0.00 0.70 0.00 0.00 55.95 56.99 1hr6 s SER 327 Cb 0.01 1.00 -0.03 0.00 -1.71 0.00 0.00 66.02 65.29 1hr6 s SER 327 CO -0.06 -0.28 -0.07 -0.89 1.20 0.00 0.00 173.24 173.14 1hr6 s THR 328 N 2.51 3.68 0.12 6.45 2.01 0.29 -4.98 115.64 125.73 1hr6 s THR 328 Ca 0.07 -0.46 0.10 0.00 0.31 0.00 0.00 61.69 61.71 1hr6 s THR 328 Cb -0.14 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 1hr6 s THR 328 CO -0.14 0.56 -0.25 -0.44 -0.69 0.00 0.00 174.62 173.67 1hr6 s SER 329 N -0.33 3.03 0.27 3.53 0.01 -1.26 -0.51 113.70 118.44 1hr6 s SER 329 Ca 0.05 -0.73 0.02 0.00 1.31 0.00 0.00 55.95 56.59 1hr6 s SER 329 Cb -0.13 -0.19 -0.05 0.00 0.21 0.00 0.00 66.02 65.86 1hr6 s SER 329 CO 0.02 0.13 0.07 -0.31 0.41 0.00 0.00 173.24 173.56 1hr6 s TYR 330 N -1.14 1.62 0.36 2.43 2.02 0.16 -4.85 117.35 117.96 1hr6 s TYR 330 Ca 0.12 -1.09 0.03 0.00 -0.37 0.00 0.00 57.07 55.76 1hr6 s TYR 330 Cb -0.10 -0.98 0.66 0.00 -0.40 0.00 0.00 41.96 41.14 1hr6 s TYR 330 CO 0.06 -0.21 2.01 0.00 -1.57 0.00 0.00 175.55 175.84 1hr6 h ALA 331 N 2.35 1.57 -0.04 3.71 0.00 -1.95 -1.34 119.26 123.56 1hr6 h ALA 331 Ca -0.39 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1hr6 h ALA 331 Cb 1.24 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1hr6 h ALA 331 CO 0.63 0.39 0.00 -0.40 0.00 0.00 0.00 179.25 179.88 1hr6 n ASP 332 N -4.44 1.94 -3.43 0.00 5.68 -1.26 -4.45 116.55 110.59 1hr6 n ASP 332 Ca 0.06 -1.84 -0.04 0.00 -0.50 0.00 0.00 54.79 52.48 1hr6 n ASP 332 Cb 0.05 -0.02 0.01 0.00 -1.14 0.00 0.00 41.12 40.02 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 -0.85 -0.05 0.01 -1.12 0.15 -1.21 -4.53 113.70 106.11 1hr6 s SER 333 Ca 0.03 -0.66 -0.28 0.00 0.70 0.00 0.00 55.95 55.74 1hr6 s SER 333 Cb 0.01 0.54 0.10 0.00 -1.71 0.00 0.00 66.02 64.97 1hr6 s SER 333 CO 0.02 -1.06 0.85 -0.83 1.20 0.00 0.00 173.24 173.42 1hr6 s GLY 334 N -3.22 -0.48 -0.03 9.45 0.00 -1.25 0.40 107.32 112.19 1hr6 s GLY 334 Ca 0.18 0.97 0.06 0.00 0.00 0.00 0.00 44.72 45.92 1hr6 s GLY 334 CO 0.05 0.33 -0.20 1.08 0.00 0.00 0.00 173.10 174.37 1hr6 s LEU 335 N -2.48 2.00 -0.03 0.66 1.43 0.33 0.11 118.68 120.70 1hr6 s LEU 335 Ca 0.04 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1hr6 s LEU 335 Cb -0.01 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.18 1hr6 s LEU 335 CO -0.09 0.22 -0.04 0.86 0.23 0.00 0.00 176.35 177.52 1hr6 s TRP 336 N -0.27 0.64 -0.89 0.29 -0.00 -0.94 0.11 118.94 117.88 1hr6 s TRP 336 Ca 0.03 -0.15 0.00 0.00 -0.00 0.00 0.00 56.10 55.98 1hr6 s TRP 336 Cb -0.10 -0.54 0.00 0.00 -0.00 0.00 0.00 33.47 32.83 1hr6 s TRP 336 CO 0.01 -0.13 0.00 0.41 -0.00 0.00 0.00 176.95 177.24 1hr6 n GLY 337 N 3.73 -0.73 3.14 5.86 0.00 0.24 -1.59 105.19 115.84 1hr6 n GLY 337 Ca -0.22 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.35 1.58 -0.21 1.61 1.75 -0.31 -0.75 119.30 122.61 1hr6 s MET 338 Ca 0.00 -0.59 -0.04 0.00 -1.25 0.00 0.00 55.69 53.81 1hr6 s MET 338 Cb 0.00 -1.43 -0.01 0.00 2.84 0.00 0.00 34.83 36.23 1hr6 s MET 338 CO 0.00 0.28 -0.04 -0.47 -0.65 0.00 0.00 175.02 174.14 1hr6 s TYR 339 N -0.12 2.96 -0.04 4.11 5.04 0.17 -1.36 117.35 128.10 1hr6 s TYR 339 Ca 0.00 -0.84 0.05 0.00 -2.44 0.00 0.00 57.07 53.84 1hr6 s TYR 339 Cb -0.09 -2.09 -0.02 0.00 0.35 0.00 0.00 41.96 40.11 1hr6 s TYR 339 CO 0.01 -0.48 -0.18 0.42 -1.34 0.00 0.00 175.55 173.98 1hr6 s ILE 340 N 1.33 2.73 -0.15 3.14 1.01 0.31 0.04 121.20 129.61 1hr6 s ILE 340 Ca 0.04 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.85 1hr6 s ILE 340 Cb -0.14 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.31 1hr6 s ILE 340 CO -0.02 0.59 -0.16 -0.69 0.00 0.00 0.00 174.94 174.66 1hr6 s VAL 341 N -0.64 1.66 0.34 2.92 1.01 -0.36 -0.16 120.40 125.18 1hr6 s VAL 341 Ca 0.10 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.46 1hr6 s VAL 341 Cb -0.11 -1.54 -0.07 0.00 0.00 0.00 0.00 36.38 34.67 1hr6 s VAL 341 CO 0.00 0.47 -0.06 0.42 0.00 0.00 0.00 175.10 175.94 1hr6 s THR 342 N 1.34 2.02 -0.24 3.92 -4.23 0.26 -0.28 115.64 118.44 1hr6 s THR 342 Ca 0.02 -2.14 -0.27 0.00 -1.18 0.00 0.00 61.69 58.12 1hr6 s THR 342 Cb -0.13 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1hr6 s THR 342 CO -0.09 -0.18 0.93 -0.62 -0.54 0.00 0.00 174.62 174.12 1hr6 s ASP 343 N -3.58 6.96 0.55 3.99 -1.08 -1.26 0.02 116.67 122.26 1hr6 s ASP 343 Ca 0.32 1.19 0.27 0.00 -0.52 0.00 0.00 52.55 53.82 1hr6 s ASP 343 Cb 0.04 -2.49 1.46 0.00 -1.46 0.00 0.00 42.92 40.48 1hr6 s ASP 343 CO 0.16 -0.60 1.98 0.28 0.52 0.00 0.00 175.17 177.51 1hr6 h SER 344 N 7.59 0.00 0.05 -0.34 0.02 -0.85 -2.36 113.55 117.65 1hr6 h SER 344 Ca -0.21 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.37 1hr6 h SER 344 Cb 1.08 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.55 1hr6 h SER 344 CO 0.93 0.00 -2.34 0.59 -1.14 0.00 0.00 176.83 174.87 1hr6 n ASN 345 N -4.14 0.57 0.01 3.07 3.02 -1.26 -4.71 115.26 111.81 1hr6 n ASN 345 Ca 0.09 0.01 0.02 0.00 -0.03 0.00 0.00 54.58 54.67 1hr6 n ASN 345 Cb 0.61 0.55 -0.10 0.00 -0.61 0.00 0.00 39.78 40.23 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 -2.91 0.64 -4.37 3.52 4.07 -1.12 -4.99 120.64 115.49 1hr6 n GLU 346 Ca -0.34 0.08 -0.35 0.00 -0.06 0.00 0.00 57.16 56.49 1hr6 n GLU 346 Cb 1.11 -1.70 -0.10 0.00 -0.06 0.00 0.00 31.44 30.69 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 -3.04 3.13 -0.58 4.31 3.76 -0.91 -5.02 115.29 116.95 1hr6 s HIS 347 Ca -0.05 0.09 -0.21 0.00 -0.15 0.00 0.00 55.06 54.74 1hr6 s HIS 347 Cb 0.09 -1.84 0.07 0.00 1.11 0.00 0.00 32.58 32.02 1hr6 s HIS 347 CO 0.83 0.35 0.77 1.21 -0.85 0.00 0.00 174.74 177.05 1hr6 s ASN 348 N -0.56 6.21 0.27 1.40 2.47 -1.26 -4.88 114.94 118.59 1hr6 s ASN 348 Ca 0.09 -1.02 -0.00 0.00 0.42 0.00 0.00 52.86 52.36 1hr6 s ASN 348 Cb -0.12 -2.34 0.60 0.00 -1.45 0.00 0.00 41.25 37.94 1hr6 s ASN 348 CO 0.02 -1.14 1.70 0.58 -3.72 0.00 0.00 177.10 174.54 1hr6 h VAL 349 N 5.93 0.53 -1.02 -5.21 2.07 -1.88 -0.77 116.25 115.90 1hr6 h VAL 349 Ca -0.28 -0.13 0.25 0.00 0.82 0.00 0.00 66.70 67.36 1hr6 h VAL 349 Cb 1.08 0.11 -0.12 0.00 -1.52 0.00 0.00 31.29 30.84 1hr6 h VAL 349 CO 1.08 0.07 0.61 -0.09 0.02 0.00 0.00 177.57 179.26 1hr6 h ARG 350 N 0.39 0.53 -0.55 1.57 2.43 -1.85 -1.09 114.38 115.79 1hr6 h ARG 350 Ca 0.49 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.55 1hr6 h ARG 350 Cb 0.87 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1hr6 h ARG 350 CO -0.50 0.35 0.05 -0.07 -1.51 0.00 0.00 179.97 178.29 1hr6 h LEU 351 N 0.54 0.92 -0.46 3.80 3.38 -1.47 -0.49 115.31 121.53 1hr6 h LEU 351 Ca 0.63 -0.28 -0.17 0.00 0.09 0.00 0.00 57.88 58.15 1hr6 h LEU 351 Cb 1.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1hr6 h LEU 351 CO -0.43 0.97 -0.75 -0.29 0.09 0.00 0.00 178.44 178.03 1hr6 h ILE 352 N 0.83 1.45 -0.71 1.22 6.09 -1.37 -2.72 117.51 122.29 1hr6 h ILE 352 Ca 0.16 -2.33 -0.06 0.00 -1.37 0.00 0.00 64.86 61.27 1hr6 h ILE 352 Cb 0.48 2.25 -0.03 0.00 0.47 0.00 0.00 36.82 39.99 1hr6 h ILE 352 CO 0.02 0.68 0.22 0.58 -3.07 0.00 0.00 178.15 176.58 1hr6 h VAL 353 N 0.14 1.26 -0.68 2.19 2.07 -1.10 -1.64 116.25 118.49 1hr6 h VAL 353 Ca -0.03 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 66.64 1hr6 h VAL 353 Cb 1.32 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1hr6 h VAL 353 CO 0.11 0.35 0.41 0.78 0.02 0.00 0.00 177.57 179.24 1hr6 h ASN 354 N 1.04 0.65 -0.11 0.57 -0.26 -0.88 -1.41 115.58 115.18 1hr6 h ASN 354 Ca 0.23 0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.90 1hr6 h ASN 354 Cb 0.30 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.42 1hr6 h ASN 354 CO -0.01 0.44 -0.17 -0.33 -1.06 0.00 0.00 177.43 176.30 1hr6 h GLU 355 N 0.79 0.50 -0.40 0.81 4.39 -1.16 -0.67 114.58 118.84 1hr6 h GLU 355 Ca 0.28 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.71 1hr6 h GLU 355 Cb 0.07 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1hr6 h GLU 355 CO -0.13 0.66 -0.16 0.82 -1.16 0.00 0.00 179.01 179.04 1hr6 h ILE 356 N 0.45 1.28 -0.47 3.13 2.04 -0.65 -1.84 117.51 121.45 1hr6 h ILE 356 Ca 0.08 -1.29 -0.10 0.00 1.00 0.00 0.00 64.86 64.55 1hr6 h ILE 356 Cb 0.57 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1hr6 h ILE 356 CO 0.04 0.43 -0.10 -0.07 0.00 0.00 0.00 178.15 178.45 1hr6 h LEU 357 N 0.63 0.84 -1.27 1.44 3.38 -1.07 -1.19 115.31 118.07 1hr6 h LEU 357 Ca 0.09 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1hr6 h LEU 357 Cb 0.71 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1hr6 h LEU 357 CO 0.05 0.97 0.12 0.50 0.09 0.00 0.00 178.44 180.17 1hr6 h LYS 358 N 0.77 0.62 -0.21 1.13 3.64 -0.93 0.26 116.57 121.85 1hr6 h LYS 358 Ca 0.13 -0.10 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 1hr6 h LYS 358 Cb 0.61 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1hr6 h LYS 358 CO 0.04 0.56 -0.41 1.49 -2.27 0.00 0.00 179.45 178.86 1hr6 h GLU 359 N 0.61 0.64 -0.87 1.90 4.57 -0.75 -1.04 114.58 119.65 1hr6 h GLU 359 Ca 0.14 -0.41 -0.03 0.00 -1.18 0.00 0.00 59.36 57.88 1hr6 h GLU 359 Cb 0.20 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 1hr6 h GLU 359 CO -0.01 1.03 0.44 -1.49 -1.18 0.00 0.00 179.01 177.80 1hr6 h TRP 360 N 0.33 1.23 0.00 0.92 6.55 -0.75 -1.74 115.95 122.49 1hr6 h TRP 360 Ca 0.01 -0.05 -0.06 0.00 0.95 0.00 0.00 58.89 59.74 1hr6 h TRP 360 Cb 1.01 -0.38 -0.01 0.00 -0.86 0.00 0.00 29.16 28.92 1hr6 h TRP 360 CO 0.09 0.87 -0.29 0.87 -1.05 0.00 0.00 178.44 178.93 1hr6 h LYS 361 N 1.23 0.00 -0.57 0.49 1.57 -0.80 -0.99 116.57 117.50 1hr6 h LYS 361 Ca 0.30 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.01 1hr6 h LYS 361 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1hr6 h LYS 361 CO -0.04 0.29 0.10 -0.09 -0.57 0.00 0.00 179.45 179.14 1hr6 h ARG 362 N 0.00 0.94 0.21 3.15 2.43 -0.30 0.09 114.38 120.89 1hr6 h ARG 362 Ca -0.00 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 1hr6 h ARG 362 Cb 0.66 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1hr6 h ARG 362 CO 0.04 0.89 -0.10 0.82 -1.51 0.00 0.00 179.97 180.11 1hr6 h ILE 363 N 0.83 0.88 -0.81 1.20 2.04 -1.00 -2.10 117.51 118.56 1hr6 h ILE 363 Ca 0.17 -0.54 0.19 0.00 1.00 0.00 0.00 64.86 65.69 1hr6 h ILE 363 Cb 0.40 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 1hr6 h ILE 363 CO 0.01 0.12 0.55 0.11 0.00 0.00 0.00 178.15 178.94 1hr6 h LYS 364 N -0.55 0.27 -0.03 2.37 1.57 -0.95 0.27 116.57 119.52 1hr6 h LYS 364 Ca -0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1hr6 h LYS 364 Cb 0.41 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1hr6 h LYS 364 CO 0.05 0.18 0.00 -1.13 -0.57 0.00 0.00 179.45 177.97 1hr6 n SER 365 N -4.44 0.65 0.00 0.86 3.41 -0.00 -4.84 113.62 109.26 1hr6 n SER 365 Ca 0.16 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1hr6 n SER 365 Cb 0.69 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 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 1.01 0.92 2.35 5.00 0.00 0.94 -4.93 105.19 110.48 1hr6 n GLY 366 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 2.55 -4.52 1.61 4.01 -0.81 -4.85 118.16 114.15 1hr6 n LYS 367 Ca 0.00 -1.55 -0.22 0.00 -0.51 0.00 0.00 58.31 56.04 1hr6 n LYS 367 Cb 0.00 -2.42 -0.14 0.00 -0.51 0.00 0.00 35.03 31.96 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 2.38 1.20 0.63 -0.18 -4.36 -1.26 -4.82 121.20 114.78 1hr6 s ILE 368 Ca 0.55 -0.87 -0.10 0.00 -0.26 0.00 0.00 60.65 59.97 1hr6 s ILE 368 Cb 0.17 -1.04 -0.02 0.00 1.25 0.00 0.00 42.46 42.82 1hr6 s ILE 368 CO -0.03 0.16 1.02 -0.94 0.24 0.00 0.00 174.94 175.39 1hr6 s SER 369 N -0.81 5.99 0.21 4.36 1.04 -1.26 -4.95 113.70 118.28 1hr6 s SER 369 Ca 0.04 1.26 -0.09 0.00 0.48 0.00 0.00 55.95 57.64 1hr6 s SER 369 Cb -0.07 -2.26 0.16 0.00 0.10 0.00 0.00 66.02 63.94 1hr6 s SER 369 CO 0.01 -0.98 1.81 0.44 0.98 0.00 0.00 173.24 175.50 1hr6 h ASP 370 N -0.35 1.03 -0.47 7.02 3.32 -2.00 -2.56 116.42 122.41 1hr6 h ASP 370 Ca -0.45 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 56.53 1hr6 h ASP 370 Cb 1.21 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.45 1hr6 h ASP 370 CO 0.62 0.87 0.20 0.00 -1.72 0.00 0.00 179.24 179.21 1hr6 h ALA 371 N 1.20 0.59 0.00 3.45 0.00 -1.99 0.85 119.26 123.36 1hr6 h ALA 371 Ca 0.27 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1hr6 h ALA 371 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1hr6 h ALA 371 CO -0.04 -0.17 -0.26 1.05 0.00 0.00 0.00 179.25 179.83 1hr6 h GLU 372 N 0.40 0.00 -0.12 0.00 4.11 -1.87 0.15 114.58 117.26 1hr6 h GLU 372 Ca 0.22 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.60 1hr6 h GLU 372 Cb 0.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1hr6 h GLU 372 CO -0.19 0.26 -0.10 0.28 0.07 0.00 0.00 179.01 179.33 1hr6 h VAL 373 N 0.00 1.35 -0.74 -1.06 2.07 -0.94 -1.99 116.25 114.94 1hr6 h VAL 373 Ca -0.00 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 1hr6 h VAL 373 Cb 0.84 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.48 1hr6 h VAL 373 CO 0.03 0.36 0.38 0.78 0.02 0.00 0.00 177.57 179.14 1hr6 h ASN 374 N -0.11 0.94 -0.10 0.57 -0.26 -0.58 -0.12 115.58 115.91 1hr6 h ASN 374 Ca 0.02 -0.09 -0.00 0.00 -0.56 0.00 0.00 56.30 55.66 1hr6 h ASN 374 Cb 0.61 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1hr6 h ASN 374 CO 0.03 0.78 0.05 -0.09 -1.06 0.00 0.00 177.43 177.13 1hr6 h ARG 375 N 1.04 0.15 -0.42 0.81 2.43 -0.93 -0.92 114.38 116.55 1hr6 h ARG 375 Ca 0.26 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1hr6 h ARG 375 Cb 0.07 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1hr6 h ARG 375 CO -0.04 0.22 0.24 0.00 -1.51 0.00 0.00 179.97 178.89 1hr6 h ALA 376 N 0.92 0.53 -0.77 2.80 0.00 -0.92 0.90 119.26 122.72 1hr6 h ALA 376 Ca 0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1hr6 h ALA 376 Cb 0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1hr6 h ALA 376 CO -0.00 -0.09 0.35 0.87 0.00 0.00 0.00 179.25 180.37 1hr6 h LYS 377 N 0.49 1.11 -0.51 0.00 1.57 -0.80 -0.34 116.57 118.08 1hr6 h LYS 377 Ca 0.17 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1hr6 h LYS 377 Cb 0.02 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1hr6 h LYS 377 CO -0.08 0.87 0.15 0.00 -0.57 0.00 0.00 179.45 179.82 1hr6 h ALA 378 N 1.28 0.67 -0.20 3.86 0.00 -0.59 0.32 119.26 124.60 1hr6 h ALA 378 Ca 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1hr6 h ALA 378 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1hr6 h ALA 378 CO -0.03 0.35 0.13 0.37 0.00 0.00 0.00 179.25 180.06 1hr6 h GLN 379 N 0.71 0.25 -0.26 0.00 4.15 -0.35 -1.79 115.11 117.82 1hr6 h GLN 379 Ca 0.16 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1hr6 h GLN 379 Cb 0.30 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1hr6 h GLN 379 CO -0.00 0.17 0.17 1.25 -1.93 0.00 0.00 178.83 178.48 1hr6 h LEU 380 N 0.26 0.30 -0.73 -2.39 5.85 -0.83 -0.76 115.31 117.01 1hr6 h LEU 380 Ca 0.07 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1hr6 h LEU 380 Cb -0.02 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 1hr6 h LEU 380 CO -0.02 0.23 0.40 0.11 -0.34 0.00 0.00 178.44 178.83 1hr6 h LYS 381 N 0.35 0.70 -0.34 1.25 1.57 -0.78 0.37 116.57 119.68 1hr6 h LYS 381 Ca 0.10 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1hr6 h LYS 381 Cb -0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1hr6 h LYS 381 CO -0.02 0.46 -0.09 0.00 -0.57 0.00 0.00 179.45 179.23 1hr6 h ALA 382 N 1.39 0.47 -0.76 3.86 0.00 -0.95 0.18 119.26 123.47 1hr6 h ALA 382 Ca 0.34 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1hr6 h ALA 382 Cb 0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1hr6 h ALA 382 CO -0.21 0.33 0.25 0.00 0.00 0.00 0.00 179.25 179.62 1hr6 h ALA 383 N 0.81 1.01 0.07 0.00 0.00 -0.74 -1.83 119.26 118.58 1hr6 h ALA 383 Ca 0.09 -0.22 -0.24 0.00 0.00 0.00 0.00 54.91 54.53 1hr6 h ALA 383 Cb 0.60 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1hr6 h ALA 383 CO 0.04 0.67 -1.13 -0.07 0.00 0.00 0.00 179.25 178.75 1hr6 h LEU 384 N 1.12 0.22 0.00 0.00 3.38 -0.80 -3.38 115.31 115.84 1hr6 h LEU 384 Ca 0.25 -0.23 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 1hr6 h LEU 384 Cb 0.29 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1hr6 h LEU 384 CO -0.01 1.18 -1.81 0.18 0.09 0.00 0.00 178.44 178.07 1hr6 n LEU 385 N -3.44 2.76 0.12 1.67 4.77 0.64 -4.36 117.00 119.16 1hr6 n LEU 385 Ca -0.05 -0.05 0.12 0.00 -0.03 0.00 0.00 56.01 56.01 1hr6 n LEU 385 Cb 0.98 -0.49 0.47 0.00 -2.33 0.00 0.00 43.42 42.05 1hr6 n LEU 385 CO 0.50 0.69 0.86 0.18 -1.33 0.00 0.00 177.39 178.30 1hr6 n LEU 386 N -3.00 0.68 0.18 2.23 4.77 -0.70 -2.22 117.00 118.95 1hr6 n LEU 386 Ca -0.26 0.63 0.09 0.00 -0.03 0.00 0.00 56.01 56.45 1hr6 n LEU 386 Cb 0.76 -0.50 0.11 0.00 -2.33 0.00 0.00 43.42 41.46 1hr6 n LEU 386 CO 0.13 -0.44 0.62 0.77 -1.33 0.00 0.00 177.39 177.13 1hr6 h SER 387 N 0.00 0.00 -0.11 -1.43 4.64 -1.74 -3.37 113.55 111.54 1hr6 h SER 387 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 1hr6 h SER 387 Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1hr6 h SER 387 CO 0.00 0.13 2.50 0.18 -0.87 0.00 0.00 176.83 178.78 1hr6 n LEU 388 N -3.08 5.12 -0.08 5.97 4.77 -0.94 -4.60 117.00 124.17 1hr6 n LEU 388 Ca 0.03 -3.48 -0.11 0.00 -0.03 0.00 0.00 56.01 52.42 1hr6 n LEU 388 Cb 0.59 -1.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.21 1hr6 n LEU 388 CO 0.36 0.11 -0.74 -0.67 -1.33 0.00 0.00 177.39 175.12 1hr6 n ASP 389 N 7.64 1.82 -4.57 -1.43 -0.08 -1.26 -4.86 116.55 113.80 1hr6 n ASP 389 Ca 0.50 0.31 -0.26 0.00 -1.51 0.00 0.00 54.79 53.82 1hr6 n ASP 389 Cb 0.41 -0.70 0.12 0.00 2.34 0.00 0.00 41.12 43.29 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 -4.92 1.74 0.33 0.27 0.00 -1.26 -4.92 107.32 98.56 1hr6 s GLY 390 Ca -0.27 -1.28 0.02 0.00 0.00 0.00 0.00 44.72 43.18 1hr6 s GLY 390 CO 0.39 -0.70 1.90 1.48 0.00 0.00 0.00 173.10 176.17 1hr6 h SER 391 N -0.94 0.65 -0.05 1.64 4.64 -1.96 -1.89 113.55 115.64 1hr6 h SER 391 Ca -0.42 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1hr6 h SER 391 Cb 1.27 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1hr6 h SER 391 CO 0.46 0.61 0.02 0.74 -0.87 0.00 0.00 176.83 177.78 1hr6 h THR 392 N 0.70 0.99 -0.28 2.95 2.02 -1.91 0.28 112.91 117.65 1hr6 h THR 392 Ca 0.17 -0.01 -0.09 0.00 0.77 0.00 0.00 66.41 67.24 1hr6 h THR 392 Cb 0.18 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1hr6 h THR 392 CO -0.01 0.01 -0.23 0.00 0.37 0.00 0.00 175.52 175.66 1hr6 h ALA 393 N 1.03 1.09 -0.29 6.16 0.00 -1.86 -0.71 119.26 124.67 1hr6 h ALA 393 Ca 0.02 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1hr6 h ALA 393 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1hr6 h ALA 393 CO -0.02 0.56 -0.26 0.82 0.00 0.00 0.00 179.25 180.35 1hr6 h ILE 394 N 0.47 1.30 -0.71 0.00 2.04 -1.00 -1.50 117.51 118.10 1hr6 h ILE 394 Ca 0.07 -1.42 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 1hr6 h ILE 394 Cb 0.65 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 1hr6 h ILE 394 CO 0.05 0.46 0.42 0.58 0.00 0.00 0.00 178.15 179.66 1hr6 h VAL 395 N 0.44 1.21 -0.44 1.67 2.07 -0.27 0.16 116.25 121.08 1hr6 h VAL 395 Ca 0.05 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.17 1hr6 h VAL 395 Cb 0.83 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1hr6 h VAL 395 CO 0.07 0.22 0.11 -0.08 0.02 0.00 0.00 177.57 177.90 1hr6 h GLU 396 N 0.97 0.24 -0.38 1.57 4.57 -0.93 0.26 114.58 120.89 1hr6 h GLU 396 Ca 0.25 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.28 1hr6 h GLU 396 Cb -0.02 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1hr6 h GLU 396 CO -0.05 0.16 -0.30 0.22 -1.18 0.00 0.00 179.01 177.87 1hr6 h ASP 397 N 0.25 0.93 0.90 1.04 3.58 -0.45 -1.43 116.42 121.25 1hr6 h ASP 397 Ca 0.22 -0.44 -0.04 0.00 0.42 0.00 0.00 57.03 57.18 1hr6 h ASP 397 Cb 0.26 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.05 1hr6 h ASP 397 CO -0.26 1.18 -0.46 0.40 -2.88 0.00 0.00 179.24 177.22 1hr6 h ILE 398 N 0.69 0.07 -0.01 2.25 2.04 -0.25 -2.36 117.51 119.95 1hr6 h ILE 398 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.96 1hr6 h ILE 398 Cb 0.88 0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 1hr6 h ILE 398 CO 0.08 0.00 -0.27 1.23 0.00 0.00 0.00 178.15 179.19 1hr6 h GLY 399 N -1.24 -0.41 1.02 5.37 0.00 -0.51 -1.13 103.07 106.17 1hr6 h GLY 399 Ca -0.12 0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 1hr6 h GLY 399 CO 0.19 -0.22 0.29 -0.09 0.00 0.00 0.00 176.54 176.72 1hr6 h ARG 400 N -0.41 1.05 -0.37 4.80 2.43 -1.34 -0.35 114.38 120.19 1hr6 h ARG 400 Ca 0.06 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 1hr6 h ARG 400 Cb 0.50 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1hr6 h ARG 400 CO -0.24 0.86 0.09 1.96 -1.51 0.00 0.00 179.97 181.13 1hr6 h GLN 401 N 1.01 0.59 -0.07 0.20 4.20 -1.23 -1.71 115.11 118.10 1hr6 h GLN 401 Ca 0.24 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1hr6 h GLN 401 Cb 0.20 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1hr6 h GLN 401 CO -0.02 0.63 -0.16 0.28 -0.67 0.00 0.00 178.83 178.89 1hr6 h VAL 402 N 0.45 1.42 0.00 -0.54 2.07 -1.07 0.15 116.25 118.73 1hr6 h VAL 402 Ca 0.12 -1.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.11 1hr6 h VAL 402 Cb 0.30 2.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1hr6 h VAL 402 CO 0.00 0.42 -0.14 1.62 0.02 0.00 0.00 177.57 179.49 1hr6 h VAL 403 N -0.27 0.80 0.00 2.57 3.04 -1.09 0.61 116.25 121.91 1hr6 h VAL 403 Ca -0.00 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1hr6 h VAL 403 Cb 0.76 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 1hr6 h VAL 403 CO 0.04 0.13 -0.82 0.35 -1.01 0.00 0.00 177.57 176.26 1hr6 n THR 404 N -3.94 0.00 0.00 3.17 -2.24 -0.65 -4.70 114.28 105.92 1hr6 n THR 404 Ca -0.02 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1hr6 n THR 404 Cb 0.23 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 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 -1.42 0.00 -0.28 4.28 -1.04 0.51 -4.73 114.28 111.60 1hr6 n THR 405 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1hr6 n THR 405 Cb 0.26 0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 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 0.93 1.05 3.51 3.41 0.00 0.21 -3.82 105.19 110.48 1hr6 n GLY 406 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.51 1.37 -0.25 1.61 -2.85 -1.25 -4.84 119.74 113.02 1hr6 s LYS 407 Ca 0.00 -0.98 0.02 0.00 -1.00 0.00 0.00 55.97 54.02 1hr6 s LYS 407 Cb 0.00 0.49 0.05 0.00 -2.06 0.00 0.00 37.83 36.31 1hr6 s LYS 407 CO 0.00 -0.57 -0.12 0.50 0.10 0.00 0.00 175.35 175.26 1hr6 s ARG 408 N -3.91 2.38 0.12 1.78 3.00 -1.26 -3.16 118.95 117.90 1hr6 s ARG 408 Ca 0.12 -1.26 -0.30 0.00 -1.00 0.00 0.00 55.73 53.29 1hr6 s ARG 408 Cb -0.00 -2.85 -0.07 0.00 0.00 0.00 0.00 34.95 32.02 1hr6 s ARG 408 CO -0.00 -0.51 1.25 -0.51 0.00 0.00 0.00 175.30 175.52 1hr6 s LEU 409 N 1.14 4.40 0.92 -0.88 1.43 -1.26 -5.00 118.68 119.43 1hr6 s LEU 409 Ca -0.06 2.18 -0.12 0.00 -1.03 0.00 0.00 54.13 55.09 1hr6 s LEU 409 Cb -0.19 -3.59 0.14 0.00 0.03 0.00 0.00 46.19 42.58 1hr6 s LEU 409 CO -0.06 -0.48 1.10 -0.94 0.23 0.00 0.00 176.35 176.20 1hr6 s SER 410 N 0.72 3.32 0.19 2.29 1.04 -1.26 -4.73 113.70 115.27 1hr6 s SER 410 Ca 0.58 1.30 -0.12 0.00 0.48 0.00 0.00 55.95 58.19 1hr6 s SER 410 Cb -0.33 -1.97 0.20 0.00 0.10 0.00 0.00 66.02 64.02 1hr6 s SER 410 CO 0.32 -2.71 1.76 -0.65 0.98 0.00 0.00 173.24 172.95 1hr6 h PRO 411 N -1.60 0.43 -0.73 4.02 0.11 -1.95 0.24 132.00 132.52 1hr6 h PRO 411 Ca -0.51 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 1hr6 h PRO 411 Cb 1.30 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1hr6 h PRO 411 CO 0.57 0.28 0.32 0.93 -0.21 0.00 0.00 178.00 179.90 1hr6 h GLU 412 N 0.44 1.05 -0.33 1.05 3.07 -1.99 0.28 114.58 118.15 1hr6 h GLU 412 Ca 0.26 -0.16 -0.08 0.00 -0.50 0.00 0.00 59.36 58.88 1hr6 h GLU 412 Cb 0.25 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1hr6 h GLU 412 CO -0.23 0.83 -0.09 0.93 -1.40 0.00 0.00 179.01 179.05 1hr6 h GLU 413 N 1.04 0.65 -0.60 2.33 5.08 -1.62 -2.18 114.58 119.28 1hr6 h GLU 413 Ca 0.25 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1hr6 h GLU 413 Cb 0.14 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1hr6 h GLU 413 CO -0.03 0.83 0.32 0.28 -1.00 0.00 0.00 179.01 179.41 1hr6 h VAL 414 N 0.43 1.20 -0.26 3.13 2.07 0.01 -0.52 116.25 122.31 1hr6 h VAL 414 Ca 0.08 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 67.16 1hr6 h VAL 414 Cb 0.60 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 1hr6 h VAL 414 CO 0.04 0.22 -0.19 0.15 0.02 0.00 0.00 177.57 177.80 1hr6 h PHE 415 N 0.82 -0.48 -0.49 1.57 3.04 -0.32 -1.69 116.94 119.38 1hr6 h PHE 415 Ca 0.21 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.23 1hr6 h PHE 415 Cb 0.05 0.25 -0.04 0.00 2.56 0.00 0.00 35.95 38.78 1hr6 h PHE 415 CO -0.01 -0.26 0.27 1.49 -2.02 0.00 0.00 178.31 177.78 1hr6 h GLU 416 N -0.18 0.52 -0.27 1.11 4.57 -1.06 0.39 114.58 119.66 1hr6 h GLU 416 Ca 0.14 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1hr6 h GLU 416 Cb 0.39 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1hr6 h GLU 416 CO -0.37 0.35 0.19 1.96 -1.18 0.00 0.00 179.01 179.96 1hr6 h GLN 417 N 0.54 0.17 0.10 1.92 1.08 -0.27 -2.11 115.11 116.54 1hr6 h GLN 417 Ca 0.21 -0.01 -0.26 0.00 -1.45 0.00 0.00 58.65 57.13 1hr6 h GLN 417 Cb 0.07 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1hr6 h GLN 417 CO -0.12 0.11 -1.35 0.28 -0.95 0.00 0.00 178.83 176.81 1hr6 h VAL 418 N 0.18 1.05 -0.48 -0.54 2.07 -0.60 -3.36 116.25 114.56 1hr6 h VAL 418 Ca 0.12 -2.38 0.14 0.00 0.82 0.00 0.00 66.70 65.40 1hr6 h VAL 418 Cb 0.26 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 1hr6 h VAL 418 CO -0.02 0.67 0.35 -0.78 0.02 0.00 0.00 177.57 177.81 1hr6 h ASP 419 N -0.38 0.00 0.56 0.57 3.58 0.01 -1.77 116.42 118.99 1hr6 h ASP 419 Ca -0.30 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.15 1hr6 h ASP 419 Cb 1.70 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.75 1hr6 h ASP 419 CO 0.03 0.00 -0.14 2.29 -2.88 0.00 0.00 179.24 178.55 1hr6 n LYS 420 N -4.39 0.38 -1.89 0.28 2.85 -0.82 -4.91 118.16 109.66 1hr6 n LYS 420 Ca 0.09 -0.11 -0.41 0.00 -1.05 0.00 0.00 58.31 56.82 1hr6 n LYS 420 Cb 0.56 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.43 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 -2.70 2.24 0.33 0.58 1.01 -0.67 -5.02 121.20 116.98 1hr6 s ILE 421 Ca 0.22 0.24 0.09 0.00 0.00 0.00 0.00 60.65 61.21 1hr6 s ILE 421 Cb 0.19 -3.16 -0.06 0.00 0.01 0.00 0.00 42.46 39.45 1hr6 s ILE 421 CO 0.52 0.06 -0.05 0.42 0.00 0.00 0.00 174.94 175.89 1hr6 s THR 422 N -1.11 2.48 0.21 2.92 -4.23 -1.26 -5.00 115.64 109.66 1hr6 s THR 422 Ca 0.52 -2.11 -0.09 0.00 -1.18 0.00 0.00 61.69 58.83 1hr6 s THR 422 Cb -0.45 -2.69 0.15 0.00 1.34 0.00 0.00 72.50 70.85 1hr6 s THR 422 CO 0.60 -0.23 1.78 0.50 -0.54 0.00 0.00 174.62 176.73 1hr6 h LYS 423 N 1.94 0.55 -0.76 3.99 3.64 -1.98 -1.50 116.57 122.45 1hr6 h LYS 423 Ca -0.42 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1hr6 h LYS 423 Cb 1.25 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 1hr6 h LYS 423 CO 0.67 0.36 0.42 0.22 -2.27 0.00 0.00 179.45 178.86 1hr6 h ASP 424 N 0.56 0.94 -0.46 4.20 3.58 -1.99 -1.07 116.42 122.18 1hr6 h ASP 424 Ca 0.31 -0.09 0.07 0.00 0.42 0.00 0.00 57.03 57.74 1hr6 h ASP 424 Cb 0.31 -0.24 -0.06 0.00 1.72 0.00 0.00 39.33 41.06 1hr6 h ASP 424 CO -0.25 0.76 0.12 0.44 -2.88 0.00 0.00 179.24 177.43 1hr6 h ASP 425 N 1.04 0.06 0.05 2.28 3.32 -1.68 0.12 116.42 121.61 1hr6 h ASP 425 Ca 0.27 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 1hr6 h ASP 425 Cb 0.02 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1hr6 h ASP 425 CO -0.04 0.07 -0.02 0.40 -1.72 0.00 0.00 179.24 177.92 1hr6 h ILE 426 N 0.26 1.02 -0.61 0.35 2.04 -0.99 0.08 117.51 119.67 1hr6 h ILE 426 Ca 0.22 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.92 1hr6 h ILE 426 Cb 0.27 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 1hr6 h ILE 426 CO -0.27 0.05 0.34 0.40 0.00 0.00 0.00 178.15 178.67 1hr6 h ILE 427 N -0.15 0.99 -0.28 -0.67 2.04 -0.86 -1.08 117.51 117.50 1hr6 h ILE 427 Ca -0.01 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.66 1hr6 h ILE 427 Cb 0.13 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1hr6 h ILE 427 CO 0.01 0.12 0.12 0.24 0.00 0.00 0.00 178.15 178.64 1hr6 h MET 428 N 0.65 0.25 -0.62 2.37 2.86 -0.83 -1.78 114.93 117.82 1hr6 h MET 428 Ca 0.26 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.85 1hr6 h MET 428 Cb 0.13 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1hr6 h MET 428 CO -0.15 0.16 0.22 2.35 1.06 0.00 0.00 176.91 180.55 1hr6 h TRP 429 N 0.25 0.94 -0.23 -0.22 7.01 -0.46 -1.57 115.95 121.67 1hr6 h TRP 429 Ca 0.12 -0.07 -0.15 0.00 2.11 0.00 0.00 58.89 60.90 1hr6 h TRP 429 Cb 0.06 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.83 1hr6 h TRP 429 CO -0.11 0.74 -0.49 0.00 -2.79 0.00 0.00 178.44 175.78 1hr6 h ALA 430 N 1.34 0.72 0.00 2.65 0.00 -0.96 -0.66 119.26 122.36 1hr6 h ALA 430 Ca 0.21 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1hr6 h ALA 430 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1hr6 h ALA 430 CO -0.01 0.67 -0.18 -0.91 0.00 0.00 0.00 179.25 178.82 1hr6 h ASN 431 N 0.48 0.00 0.09 0.00 2.35 -1.00 0.25 115.58 117.75 1hr6 h ASN 431 Ca 0.02 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.50 1hr6 h ASN 431 Cb 1.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 1hr6 h ASN 431 CO 0.10 0.18 -1.43 0.22 -1.65 0.00 0.00 177.43 174.84 1hr6 h TYR 432 N 0.00 0.33 0.00 1.19 3.20 -1.05 -3.34 116.97 117.31 1hr6 h TYR 432 Ca -0.00 -0.24 -0.04 0.00 3.14 0.00 0.00 58.73 61.59 1hr6 h TYR 432 Cb 0.70 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1hr6 h TYR 432 CO 0.00 1.56 -0.69 0.00 -1.64 0.00 0.00 178.16 177.39 1hr6 h ARG 433 N -0.43 0.00 -0.04 1.82 2.47 -1.11 -3.38 114.38 113.71 1hr6 h ARG 433 Ca -0.33 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.39 1hr6 h ARG 433 Cb 1.67 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.99 1hr6 h ARG 433 CO -0.00 0.12 -0.06 1.28 0.56 0.00 0.00 179.97 181.87 1hr6 n LEU 434 N -2.92 2.64 -3.89 3.04 4.77 0.89 -4.77 117.00 116.76 1hr6 n LEU 434 Ca -0.00 -3.19 -0.23 0.00 -0.03 0.00 0.00 56.01 52.56 1hr6 n LEU 434 Cb 0.62 -0.46 -0.17 0.00 -2.33 0.00 0.00 43.42 41.08 1hr6 n LEU 434 CO 0.39 0.80 -0.42 -1.58 -1.33 0.00 0.00 177.39 175.24 1hr6 s GLN 435 N -2.92 1.13 -1.41 3.23 2.00 -1.25 -4.68 119.66 115.75 1hr6 s GLN 435 Ca 0.34 -0.15 -0.04 0.00 -2.00 0.00 0.00 55.36 53.51 1hr6 s GLN 435 Cb 0.30 -1.17 0.03 0.00 0.80 0.00 0.00 33.01 32.97 1hr6 s GLN 435 CO 0.03 -0.16 0.65 0.09 -0.50 0.00 0.00 175.29 175.40 1hr6 n ASN 436 N 4.48 -1.65 -4.26 6.67 3.02 -1.26 -4.85 115.26 117.40 1hr6 n ASN 436 Ca -0.17 -0.90 -0.20 0.00 -0.03 0.00 0.00 54.58 53.28 1hr6 n ASN 436 Cb 0.51 -3.56 -0.12 0.00 -0.61 0.00 0.00 39.78 36.00 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 -6.37 1.08 0.48 3.52 -0.14 -1.26 -5.13 119.74 111.92 1hr6 s LYS 437 Ca 0.18 -1.23 -0.22 0.00 -1.36 0.00 0.00 55.97 53.34 1hr6 s LYS 437 Cb -0.09 -1.10 -0.07 0.00 -1.68 0.00 0.00 37.83 34.89 1hr6 s LYS 437 CO 0.85 0.23 1.14 -1.25 -0.76 0.00 0.00 175.35 175.56 1hr6 s PRO 438 N -2.43 3.68 0.02 -1.68 0.04 -1.26 -5.01 135.00 128.36 1hr6 s PRO 438 Ca 0.09 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.87 1hr6 s PRO 438 Cb -0.07 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 1hr6 s PRO 438 CO 0.04 -0.60 -0.13 0.14 0.04 0.00 0.00 177.00 176.49 1hr6 s VAL 439 N -1.63 1.05 0.15 -0.36 -7.23 -1.26 -4.18 120.40 106.94 1hr6 s VAL 439 Ca 0.66 -0.85 0.11 0.00 -1.81 0.00 0.00 61.98 60.08 1hr6 s VAL 439 Cb -0.26 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 1hr6 s VAL 439 CO 0.32 0.08 -0.25 -0.94 -0.31 0.00 0.00 175.10 173.99 1hr6 s SER 440 N -0.88 3.27 -0.03 4.85 1.04 -0.49 -3.24 113.70 118.21 1hr6 s SER 440 Ca 0.02 -0.79 -0.07 0.00 0.48 0.00 0.00 55.95 55.59 1hr6 s SER 440 Cb -0.07 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 65.84 1hr6 s SER 440 CO 0.01 0.14 0.17 -0.32 0.98 0.00 0.00 173.24 174.22 1hr6 s MET 441 N -2.28 0.38 -0.03 4.02 1.75 0.31 -1.55 119.30 121.89 1hr6 s MET 441 Ca 0.16 -0.09 0.03 0.00 -1.25 0.00 0.00 55.69 54.54 1hr6 s MET 441 Cb -0.09 0.17 0.00 0.00 2.84 0.00 0.00 34.83 37.75 1hr6 s MET 441 CO 0.07 -0.08 -0.12 0.08 -0.65 0.00 0.00 175.02 174.32 1hr6 s VAL 442 N -0.71 1.04 -0.03 10.11 1.01 -0.56 -1.37 120.40 129.89 1hr6 s VAL 442 Ca -0.08 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1hr6 s VAL 442 Cb -0.05 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.44 1hr6 s VAL 442 CO 0.01 0.31 -0.06 0.00 0.00 0.00 0.00 175.10 175.37 1hr6 s ALA 443 N 0.17 0.68 -0.10 5.51 0.00 -0.78 -1.23 121.76 126.02 1hr6 s ALA 443 Ca -0.04 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.80 1hr6 s ALA 443 Cb -0.10 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1hr6 s ALA 443 CO 0.01 0.04 -0.10 -1.17 0.00 0.00 0.00 175.76 174.54 1hr6 s LEU 444 N 0.62 1.41 0.00 0.00 2.96 0.08 0.04 118.68 123.79 1hr6 s LEU 444 Ca -0.08 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1hr6 s LEU 444 Cb -0.12 -0.87 0.00 0.00 0.50 0.00 0.00 46.19 45.70 1hr6 s LEU 444 CO 0.00 -0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 1hr6 n GLY 445 N 4.50 0.15 3.56 7.98 0.00 -0.66 -0.41 105.19 120.31 1hr6 n GLY 445 Ca -0.17 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 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 6.20 0.08 1.61 3.84 -1.26 -1.84 114.94 119.57 1hr6 s ASN 446 Ca 0.00 -1.46 0.20 0.00 0.21 0.00 0.00 52.86 51.82 1hr6 s ASN 446 Cb 0.00 -2.57 0.83 0.00 -0.55 0.00 0.00 41.25 38.96 1hr6 s ASN 446 CO 0.00 -1.79 1.63 1.07 -2.79 0.00 0.00 177.10 175.21 1hr6 n THR 447 N 7.07 0.77 0.27 -5.21 5.66 -1.26 -3.94 114.28 117.63 1hr6 n THR 447 Ca 0.38 0.16 0.12 0.00 -3.05 0.00 0.00 64.05 61.65 1hr6 n THR 447 Cb 0.49 -0.93 0.75 0.00 -1.55 0.00 0.00 70.33 69.09 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 0.09 1.09 4.64 -1.99 -2.83 113.55 114.54 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 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1hr6 h SER 448 CO 0.00 0.06 -0.82 1.07 -0.87 0.00 0.00 176.83 176.26 1hr6 n THR 449 N -4.01 0.00 -2.40 2.95 5.66 -1.25 -4.96 114.28 110.26 1hr6 n THR 449 Ca -0.03 -0.04 -0.42 0.00 -3.05 0.00 0.00 64.05 60.51 1hr6 n THR 449 Cb 0.15 0.90 -0.03 0.00 -1.55 0.00 0.00 70.33 69.80 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 -2.91 4.17 0.70 1.08 1.01 -1.07 -2.54 120.40 120.83 1hr6 s VAL 450 Ca 0.10 1.48 -0.12 0.00 0.00 0.00 0.00 61.98 63.44 1hr6 s VAL 450 Cb 0.17 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1hr6 s VAL 450 CO 0.79 -0.04 1.08 -2.16 0.00 0.00 0.00 175.10 174.77 1hr6 s PRO 451 N 2.68 2.72 0.68 2.72 0.04 -1.26 -4.96 135.00 137.61 1hr6 s PRO 451 Ca 0.57 1.17 -0.15 0.00 0.04 0.00 0.00 61.00 62.63 1hr6 s PRO 451 Cb -0.25 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1hr6 s PRO 451 CO 0.21 -1.29 1.14 1.21 0.04 0.00 0.00 177.00 178.31 1hr6 s ASN 452 N -3.21 4.83 0.19 6.66 3.84 -1.26 -4.89 114.94 121.11 1hr6 s ASN 452 Ca 0.62 2.10 -0.09 0.00 0.21 0.00 0.00 52.86 55.70 1hr6 s ASN 452 Cb -0.17 -2.56 0.11 0.00 -0.55 0.00 0.00 41.25 38.08 1hr6 s ASN 452 CO 0.49 -1.82 1.71 0.58 -2.79 0.00 0.00 177.10 175.27 1hr6 h VAL 453 N -0.08 1.26 0.00 -5.21 2.07 -1.95 -1.27 116.25 111.07 1hr6 h VAL 453 Ca -0.47 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.04 1hr6 h VAL 453 Cb 1.26 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1hr6 h VAL 453 CO 0.53 0.37 -0.16 0.77 0.02 0.00 0.00 177.57 179.10 1hr6 h SER 454 N 1.05 0.00 -0.01 0.57 4.64 -1.94 -1.31 113.55 116.55 1hr6 h SER 454 Ca 0.22 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1hr6 h SER 454 Cb 0.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1hr6 h SER 454 CO 0.00 0.16 -0.00 0.22 -0.87 0.00 0.00 176.83 176.35 1hr6 h TYR 455 N 0.00 0.01 -0.15 4.77 5.03 -1.72 -1.10 116.97 123.81 1hr6 h TYR 455 Ca -0.00 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.34 1hr6 h TYR 455 Cb 0.68 -0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.93 1hr6 h TYR 455 CO 0.00 0.36 -0.05 0.82 -1.32 0.00 0.00 178.16 177.97 1hr6 h ILE 456 N -0.34 0.83 -0.67 1.81 2.04 -0.80 -1.47 117.51 118.90 1hr6 h ILE 456 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1hr6 h ILE 456 Cb 0.36 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1hr6 h ILE 456 CO 0.00 0.00 0.42 -0.33 0.00 0.00 0.00 178.15 178.24 1hr6 h GLU 457 N -0.02 0.79 0.28 2.37 5.08 -1.25 -0.07 114.58 121.76 1hr6 h GLU 457 Ca 0.07 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1hr6 h GLU 457 Cb 0.13 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1hr6 h GLU 457 CO -0.16 0.53 -0.25 1.49 -1.00 0.00 0.00 179.01 179.61 1hr6 h GLU 458 N 0.82 -0.53 -0.71 2.33 4.81 -0.75 -0.09 114.58 120.45 1hr6 h GLU 458 Ca 0.27 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 1hr6 h GLU 458 Cb 0.02 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1hr6 h GLU 458 CO -0.11 -0.35 0.37 0.87 -0.73 0.00 0.00 179.01 179.06 1hr6 h LYS 459 N -0.55 1.00 0.10 1.92 1.79 -1.00 -1.09 116.57 118.73 1hr6 h LYS 459 Ca -0.01 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1hr6 h LYS 459 Cb 0.50 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1hr6 h LYS 459 CO -0.04 0.75 -0.05 1.25 -1.08 0.00 0.00 179.45 180.28 1hr6 h LEU 460 N 1.00 -0.11 -0.68 2.94 5.85 -0.79 -3.21 115.31 120.31 1hr6 h LEU 460 Ca 0.25 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1hr6 h LEU 460 Cb 0.06 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1hr6 h LEU 460 CO -0.04 0.27 -0.01 0.78 -0.34 0.00 0.00 178.44 179.11 1hr6 h ASN 461 N -0.51 0.00 0.00 1.25 2.35 -1.00 -3.47 115.58 114.20 1hr6 h ASN 461 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1hr6 h ASN 461 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1hr6 h ASN 461 CO 0.02 0.01 0.00 1.67 -1.65 0.00 0.00 177.43 177.48