#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hr9 n ALA 4 N 0.00 3.51 -2.03 -0.43 0.00 -1.26 -4.95 120.51 115.35 3hr9 n ALA 4 Ca 0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 53.44 52.74 3hr9 n ALA 4 Cb 0.00 -1.01 0.04 0.00 0.00 0.00 0.00 19.45 18.48 3hr9 n ALA 4 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hr9 s LYS 5 N -2.68 2.57 0.00 0.00 1.02 -1.26 -5.02 119.74 114.37 3hr9 s LYS 5 Ca 0.18 -0.48 0.25 0.00 0.02 0.00 0.00 55.97 55.94 3hr9 s LYS 5 Cb 0.18 -2.38 0.53 0.00 -0.52 0.00 0.00 37.83 35.64 3hr9 s LYS 5 CO 0.62 -0.80 1.42 -0.25 -0.92 0.00 0.00 175.35 175.42 3hr9 n ASP 6 N -2.50 1.22 -4.19 2.83 8.00 -1.26 -4.87 116.55 115.78 3hr9 n ASP 6 Ca 0.07 -1.00 -0.14 0.00 0.71 0.00 0.00 54.79 54.42 3hr9 n ASP 6 Cb 0.59 0.25 -0.11 0.00 -0.02 0.00 0.00 41.12 41.84 3hr9 n ASP 6 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3hr9 s PHE 7 N -2.55 1.11 -0.15 1.24 0.40 -1.25 -1.55 117.98 115.24 3hr9 s PHE 7 Ca 0.21 -0.68 0.01 0.00 -0.60 0.00 0.00 56.93 55.88 3hr9 s PHE 7 Cb 0.19 -0.60 0.00 0.00 0.51 0.00 0.00 43.02 43.12 3hr9 s PHE 7 CO 0.56 0.02 -0.18 -1.12 0.70 0.00 0.00 175.22 175.19 3hr9 s SER 8 N -2.58 3.43 0.00 1.36 0.01 0.09 -1.05 113.70 114.95 3hr9 s SER 8 Ca 0.08 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.81 3hr9 s SER 8 Cb -0.02 -1.51 0.00 0.00 0.21 0.00 0.00 66.02 64.70 3hr9 s SER 8 CO 0.00 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.35 3hr9 n GLY 9 N 4.03 7.41 3.37 3.44 0.00 -0.15 -0.75 105.19 122.54 3hr9 n GLY 9 Ca -0.19 -2.01 -0.15 0.00 0.00 0.00 0.00 46.02 43.67 3hr9 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hr9 s ALA 10 N -2.00 -1.25 -0.08 4.61 0.00 -0.87 -1.19 121.76 120.98 3hr9 s ALA 10 Ca 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 52.63 3hr9 s ALA 10 Cb 0.00 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.31 3hr9 s ALA 10 CO 0.00 -0.37 0.15 -2.00 0.00 0.00 0.00 175.76 173.54 3hr9 s GLU 11 N -1.67 0.04 -0.20 0.00 2.12 -1.26 -1.06 118.70 116.67 3hr9 s GLU 11 Ca -0.10 0.51 -0.09 0.00 0.36 0.00 0.00 54.97 55.65 3hr9 s GLU 11 Cb -0.02 -0.26 -0.04 0.00 0.26 0.00 0.00 34.13 34.07 3hr9 s GLU 11 CO 0.04 -0.27 0.10 -1.17 -0.54 0.00 0.00 175.26 173.42 3hr9 s LEU 12 N 2.01 3.98 0.01 2.70 2.96 0.33 -0.24 118.68 130.42 3hr9 s LEU 12 Ca 0.00 0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 3hr9 s LEU 12 Cb -0.12 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 3hr9 s LEU 12 CO -0.06 0.14 0.01 -0.72 -1.32 0.00 0.00 176.35 174.41 3hr9 s TYR 13 N 0.57 0.13 0.29 5.38 1.13 -0.79 -0.79 117.35 123.27 3hr9 s TYR 13 Ca 0.06 -0.26 -0.29 0.00 -1.41 0.00 0.00 57.07 55.16 3hr9 s TYR 13 Cb -0.12 -0.10 -0.10 0.00 -1.10 0.00 0.00 41.96 40.54 3hr9 s TYR 13 CO 0.01 -0.14 1.13 0.95 -2.51 0.00 0.00 175.55 174.99 3hr9 s THR 14 N -0.93 3.36 0.22 -3.49 -4.23 -0.30 -0.22 115.64 110.05 3hr9 s THR 14 Ca -0.10 1.37 -0.03 0.00 -1.18 0.00 0.00 61.69 61.75 3hr9 s THR 14 Cb -0.06 -3.87 0.01 0.00 1.34 0.00 0.00 72.50 69.92 3hr9 s THR 14 CO -0.00 0.32 1.60 -0.07 -0.54 0.00 0.00 174.62 175.93 3hr9 h LEU 15 N 3.72 0.66 -9.99 4.79 3.38 -1.48 -3.44 115.31 112.96 3hr9 h LEU 15 Ca -0.47 -0.28 -0.55 0.00 0.09 0.00 0.00 57.88 56.67 3hr9 h LEU 15 Cb 1.21 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 3hr9 h LEU 15 CO 0.67 0.96 -0.18 -1.61 0.09 0.00 0.00 178.44 178.36 3hr9 s GLU 16 N -4.35 3.71 0.20 1.13 0.41 -1.26 -5.08 118.70 113.46 3hr9 s GLU 16 Ca -0.08 0.11 0.09 0.00 -0.41 0.00 0.00 54.97 54.68 3hr9 s GLU 16 Cb 0.12 -2.71 -0.04 0.00 -1.78 0.00 0.00 34.13 29.72 3hr9 s GLU 16 CO 0.83 0.35 -0.06 -1.21 -0.49 0.00 0.00 175.26 174.68 3hr9 s GLU 17 N -2.89 2.17 0.14 1.61 2.02 -1.26 -4.54 118.70 115.96 3hr9 s GLU 17 Ca 0.45 -1.28 0.02 0.00 0.02 0.00 0.00 54.97 54.17 3hr9 s GLU 17 Cb -0.11 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 3hr9 s GLU 17 CO 0.24 0.42 -0.03 0.14 0.02 0.00 0.00 175.26 176.05 3hr9 s VAL 18 N -1.86 0.69 -0.35 2.63 -7.23 0.06 -4.80 120.40 109.53 3hr9 s VAL 18 Ca 0.27 -1.97 -0.09 0.00 -1.81 0.00 0.00 61.98 58.39 3hr9 s VAL 18 Cb -0.08 -1.93 0.03 0.00 0.56 0.00 0.00 36.38 34.95 3hr9 s VAL 18 CO 0.17 -0.64 0.16 -1.58 -0.31 0.00 0.00 175.10 172.89 3hr9 s GLN 19 N -3.88 2.78 0.29 4.82 0.74 -1.26 -0.47 119.66 122.67 3hr9 s GLN 19 Ca 0.19 -1.09 0.00 0.00 0.05 0.00 0.00 55.36 54.51 3hr9 s GLN 19 Cb 0.06 -3.59 0.00 0.00 1.10 0.00 0.00 33.01 30.57 3hr9 s GLN 19 CO 0.00 -0.66 0.00 0.66 -0.55 0.00 0.00 175.29 174.75 3hr9 n TYR 20 N 4.91 -1.82 -0.49 1.67 0.53 -1.26 -4.77 117.16 115.93 3hr9 n TYR 20 Ca -0.12 1.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.76 3hr9 n TYR 20 Cb 0.46 -1.66 0.00 0.00 -1.03 0.00 0.00 39.34 37.11 3hr9 n TYR 20 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hr9 n GLY 21 N -3.14 -1.12 3.24 2.72 0.00 -0.50 -4.35 105.19 102.04 3hr9 n GLY 21 Ca -0.04 -1.57 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 3hr9 n GLY 21 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hr9 s LYS 22 N -1.67 1.67 -0.05 1.61 2.20 -0.73 -1.26 119.74 121.52 3hr9 s LYS 22 Ca 0.00 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.80 3hr9 s LYS 22 Cb 0.00 -1.66 0.02 0.00 -1.51 0.00 0.00 37.83 34.68 3hr9 s LYS 22 CO 0.00 0.45 -0.02 -0.06 -0.36 0.00 0.00 175.35 175.36 3hr9 s PHE 23 N -0.57 0.64 -0.02 4.03 0.40 0.63 -0.54 117.98 122.55 3hr9 s PHE 23 Ca 0.08 -0.16 0.05 0.00 -0.60 0.00 0.00 56.93 56.31 3hr9 s PHE 23 Cb -0.08 -0.65 -0.01 0.00 0.51 0.00 0.00 43.02 42.78 3hr9 s PHE 23 CO -0.00 -0.22 -0.17 -1.21 0.70 0.00 0.00 175.22 174.32 3hr9 s GLU 24 N 1.25 1.42 -0.03 0.44 2.02 0.08 -0.72 118.70 123.16 3hr9 s GLU 24 Ca -0.06 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.33 3hr9 s GLU 24 Cb -0.14 -1.35 0.03 0.00 0.10 0.00 0.00 34.13 32.77 3hr9 s GLU 24 CO -0.02 0.35 0.01 0.00 0.02 0.00 0.00 175.26 175.62 3hr9 s ALA 25 N -0.34 0.25 -0.42 5.21 0.00 -0.11 -0.79 121.76 125.56 3hr9 s ALA 25 Ca 0.05 0.19 -0.19 0.00 0.00 0.00 0.00 51.96 52.02 3hr9 s ALA 25 Cb -0.07 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.78 3hr9 s ALA 25 CO -0.00 -0.07 0.52 0.50 0.00 0.00 0.00 175.76 176.71 3hr9 s ARG 26 N 0.99 3.23 0.06 0.00 6.06 -0.39 -0.72 118.95 128.18 3hr9 s ARG 26 Ca -0.10 -0.54 -0.07 0.00 -2.50 0.00 0.00 55.73 52.52 3hr9 s ARG 26 Cb -0.13 -3.94 -0.01 0.00 0.06 0.00 0.00 34.95 30.93 3hr9 s ARG 26 CO -0.02 -0.88 0.15 -1.64 -2.50 0.00 0.00 175.30 170.40 3hr9 s MET 27 N 2.42 0.72 -0.20 5.12 -1.94 -0.35 -0.41 119.30 124.67 3hr9 s MET 27 Ca 0.17 -0.86 -0.00 0.00 -1.71 0.00 0.00 55.69 53.28 3hr9 s MET 27 Cb -0.16 0.29 0.01 0.00 2.01 0.00 0.00 34.83 36.99 3hr9 s MET 27 CO 0.16 -0.21 -0.15 0.21 -0.01 0.00 0.00 175.02 175.02 3hr9 s LYS 28 N -3.27 3.05 0.57 2.03 2.20 -0.49 -1.27 119.74 122.56 3hr9 s LYS 28 Ca 0.01 -0.80 -0.05 0.00 -0.36 0.00 0.00 55.97 54.76 3hr9 s LYS 28 Cb 0.02 -2.71 0.00 0.00 -1.51 0.00 0.00 37.83 33.64 3hr9 s LYS 28 CO -0.08 -0.23 0.86 -1.64 -0.36 0.00 0.00 175.35 173.91 3hr9 s MET 29 N 1.33 2.98 0.03 4.03 -1.94 -0.02 -1.02 119.30 124.70 3hr9 s MET 29 Ca 0.05 -0.05 -0.03 0.00 -1.71 0.00 0.00 55.69 53.95 3hr9 s MET 29 Cb -0.14 -2.31 -0.04 0.00 2.01 0.00 0.00 34.83 34.35 3hr9 s MET 29 CO -0.10 -0.61 0.23 0.00 -0.01 0.00 0.00 175.02 174.52 3hr9 s ALA 30 N -2.92 3.94 -0.28 3.03 0.00 -1.25 -3.87 121.76 120.40 3hr9 s ALA 30 Ca 0.53 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 51.58 3hr9 s ALA 30 Cb -0.10 -1.92 0.10 0.00 0.00 0.00 0.00 23.12 21.19 3hr9 s ALA 30 CO 0.44 0.75 0.77 0.00 0.00 0.00 0.00 175.76 177.72 3hr9 s ALA 31 N -1.42 -1.97 0.06 0.00 0.00 -1.26 -4.51 121.76 112.66 3hr9 s ALA 31 Ca 0.31 2.33 -0.27 0.00 0.00 0.00 0.00 51.96 54.34 3hr9 s ALA 31 Cb -0.13 -1.48 0.07 0.00 0.00 0.00 0.00 23.12 21.58 3hr9 s ALA 31 CO 0.22 -0.36 0.63 0.00 0.00 0.00 0.00 175.76 176.25 3hr9 s ALA 32 N 1.43 -1.66 0.02 0.00 0.00 -1.20 -5.00 121.76 115.35 3hr9 s ALA 32 Ca -0.09 0.87 -0.36 0.00 0.00 0.00 0.00 51.96 52.38 3hr9 s ALA 32 Cb -0.05 0.46 -0.15 0.00 0.00 0.00 0.00 23.12 23.38 3hr9 s ALA 32 CO -0.17 -0.58 1.51 0.45 0.00 0.00 0.00 175.76 176.97 3hr9 n SER 33 N 0.24 2.24 0.00 0.00 2.88 -1.25 -1.53 113.62 116.20 3hr9 n SER 33 Ca -0.18 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 3hr9 n SER 33 Cb 0.61 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 3hr9 n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hr9 n GLY 34 N 3.16 0.38 3.96 0.46 0.00 0.29 -1.97 105.19 111.47 3hr9 n GLY 34 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 3hr9 n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hr9 s THR 35 N -2.09 4.88 -0.06 2.61 -4.23 -0.59 -2.15 115.64 114.02 3hr9 s THR 35 Ca 0.00 -0.71 0.01 0.00 -1.18 0.00 0.00 61.69 59.81 3hr9 s THR 35 Cb 0.00 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 70.11 3hr9 s THR 35 CO 0.00 -0.40 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.94 3hr9 s VAL 36 N -2.22 0.61 -0.09 2.29 1.01 -0.08 -0.38 120.40 121.53 3hr9 s VAL 36 Ca 0.40 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 3hr9 s VAL 36 Cb -0.09 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.67 3hr9 s VAL 36 CO 0.33 0.25 -0.05 -0.55 0.00 0.00 0.00 175.10 175.08 3hr9 s SER 37 N 1.10 1.85 0.21 3.32 0.15 -0.83 -1.06 113.70 118.45 3hr9 s SER 37 Ca -0.08 -0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.35 3hr9 s SER 37 Cb -0.14 -0.68 -0.04 0.00 -1.71 0.00 0.00 66.02 63.45 3hr9 s SER 37 CO -0.01 -0.12 0.13 -0.44 1.20 0.00 0.00 173.24 173.99 3hr9 s SER 38 N 1.63 0.29 -0.04 5.45 0.01 -0.01 -0.64 113.70 120.39 3hr9 s SER 38 Ca 0.02 -1.39 -0.01 0.00 1.31 0.00 0.00 55.95 55.88 3hr9 s SER 38 Cb -0.13 0.35 0.03 0.00 0.21 0.00 0.00 66.02 66.48 3hr9 s SER 38 CO -0.06 -0.83 0.04 -0.32 0.41 0.00 0.00 173.24 172.48 3hr9 s MET 39 N -4.14 0.08 0.10 12.44 0.00 -0.44 -3.02 119.30 124.33 3hr9 s MET 39 Ca 0.39 0.26 -0.02 0.00 0.00 0.00 0.00 55.69 56.32 3hr9 s MET 39 Cb 0.07 -0.52 -0.04 0.00 0.00 0.00 0.00 34.83 34.34 3hr9 s MET 39 CO 0.12 -0.27 0.06 0.96 0.00 0.00 0.00 175.02 175.89 3hr9 s ILE 40 N 1.77 0.14 -0.09 10.11 -4.36 0.10 -1.00 121.20 127.87 3hr9 s ILE 40 Ca 0.00 -1.79 0.01 0.00 -0.26 0.00 0.00 60.65 58.61 3hr9 s ILE 40 Cb -0.12 -1.82 -0.02 0.00 1.25 0.00 0.00 42.46 41.74 3hr9 s ILE 40 CO -0.03 -0.63 -0.10 -0.76 0.24 0.00 0.00 174.94 173.66 3hr9 s LEU 41 N -2.99 2.95 -0.11 0.37 1.02 0.45 -0.69 118.68 119.67 3hr9 s LEU 41 Ca 0.17 -0.16 -0.06 0.00 0.02 0.00 0.00 54.13 54.10 3hr9 s LEU 41 Cb 0.07 -1.65 0.05 0.00 0.02 0.00 0.00 46.19 44.68 3hr9 s LEU 41 CO -0.03 0.28 0.27 -0.47 0.02 0.00 0.00 176.35 176.42 3hr9 s TYR 42 N -0.32 -0.37 -0.47 0.29 5.04 -0.13 -1.55 117.35 119.85 3hr9 s TYR 42 Ca 0.04 0.86 -0.25 0.00 -2.44 0.00 0.00 57.07 55.28 3hr9 s TYR 42 Cb -0.13 0.07 0.03 0.00 0.35 0.00 0.00 41.96 42.29 3hr9 s TYR 42 CO 0.02 -0.25 0.89 -1.14 -1.34 0.00 0.00 175.55 173.73 3hr9 s GLN 43 N 1.33 3.48 0.28 4.97 0.74 -0.35 -0.85 119.66 129.25 3hr9 s GLN 43 Ca -0.09 0.05 -0.30 0.00 0.05 0.00 0.00 55.36 55.07 3hr9 s GLN 43 Cb -0.10 -3.94 -0.12 0.00 1.10 0.00 0.00 33.01 29.94 3hr9 s GLN 43 CO -0.09 -1.22 1.54 -1.71 -0.55 0.00 0.00 175.29 173.26 3hr9 n ASN 44 N 7.08 3.52 0.00 6.67 4.05 -1.26 -1.67 115.26 133.65 3hr9 n ASN 44 Ca 0.05 1.14 0.00 0.00 0.45 0.00 0.00 54.58 56.22 3hr9 n ASN 44 Cb 0.48 -1.54 0.00 0.00 1.23 0.00 0.00 39.78 39.95 3hr9 n ASN 44 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3hr9 n GLY 45 N 2.17 0.26 0.42 8.20 0.00 -1.26 -4.94 105.19 110.04 3hr9 n GLY 45 Ca 0.10 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.33 3hr9 n GLY 45 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hr9 h SER 46 N 0.00 0.24 0.77 1.61 0.02 -1.58 -1.10 113.55 113.50 3hr9 h SER 46 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3hr9 h SER 46 Cb 0.00 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3hr9 h SER 46 CO 0.00 0.10 0.00 -1.84 -1.14 0.00 0.00 176.83 173.95 3hr9 n GLU 47 N -4.42 0.08 -2.46 3.45 0.00 -1.26 -4.37 120.64 111.66 3hr9 n GLU 47 Ca 0.18 0.25 -0.43 0.00 0.00 0.00 0.00 57.16 57.16 3hr9 n GLU 47 Cb 0.75 -1.64 -0.02 0.00 0.00 0.00 0.00 31.44 30.53 3hr9 n GLU 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3hr9 s ILE 48 N -3.10 4.29 -1.14 3.84 1.01 -0.42 -4.90 121.20 120.78 3hr9 s ILE 48 Ca 0.08 1.59 -0.06 0.00 0.00 0.00 0.00 60.65 62.26 3hr9 s ILE 48 Cb 0.11 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.58 3hr9 s ILE 48 CO 0.39 -0.06 2.71 0.00 0.00 0.00 0.00 174.94 177.98 3hr9 n ALA 49 N 5.81 6.92 -0.01 9.38 0.00 -1.26 -4.36 120.51 137.00 3hr9 n ALA 49 Ca 0.12 -3.57 0.08 0.00 0.00 0.00 0.00 53.44 50.08 3hr9 n ALA 49 Cb 0.46 -2.79 0.19 0.00 0.00 0.00 0.00 19.45 17.30 3hr9 n ALA 49 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hr9 n ASP 50 N 2.14 3.12 0.00 0.00 3.85 -1.26 -4.96 116.55 119.45 3hr9 n ASP 50 Ca 0.63 -1.92 0.00 0.00 -0.71 0.00 0.00 54.79 52.79 3hr9 n ASP 50 Cb 0.35 -0.25 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 3hr9 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hr9 n GLY 51 N 1.00 1.23 3.77 6.12 0.00 -1.26 -5.09 105.19 110.96 3hr9 n GLY 51 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3hr9 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hr9 s ARG 52 N -0.63 2.40 0.69 1.61 1.70 -1.26 -5.01 118.95 118.45 3hr9 s ARG 52 Ca 0.00 1.19 -0.12 0.00 -0.47 0.00 0.00 55.73 56.32 3hr9 s ARG 52 Cb 0.00 -1.91 0.01 0.00 -0.57 0.00 0.00 34.95 32.48 3hr9 s ARG 52 CO 0.00 -1.54 1.08 -1.25 -1.08 0.00 0.00 175.30 172.51 3hr9 s PRO 53 N -4.78 2.78 -0.14 3.89 0.04 -1.26 -4.47 135.00 131.06 3hr9 s PRO 53 Ca 0.62 1.15 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 3hr9 s PRO 53 Cb -0.17 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3hr9 s PRO 53 CO 0.54 -1.23 0.09 -0.46 0.04 0.00 0.00 177.00 175.97 3hr9 s TRP 54 N -2.75 3.38 -0.13 0.56 -0.11 -0.32 -4.65 118.94 114.91 3hr9 s TRP 54 Ca 0.62 0.30 -0.03 0.00 1.22 0.00 0.00 56.10 58.20 3hr9 s TRP 54 Cb -0.17 -1.98 0.05 0.00 -1.50 0.00 0.00 33.47 29.87 3hr9 s TRP 54 CO 0.49 0.45 0.05 0.08 -4.62 0.00 0.00 176.95 173.40 3hr9 s VAL 55 N -0.39 0.18 -0.16 5.86 1.01 -1.25 -4.12 120.40 121.54 3hr9 s VAL 55 Ca 0.10 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 3hr9 s VAL 55 Cb -0.12 -0.63 0.07 0.00 0.00 0.00 0.00 36.38 35.70 3hr9 s VAL 55 CO 0.02 -0.07 0.71 -0.70 0.00 0.00 0.00 175.10 175.06 3hr9 s GLU 56 N 2.03 0.94 -0.06 2.72 2.12 -0.94 -1.21 118.70 124.30 3hr9 s GLU 56 Ca 0.02 0.62 0.02 0.00 0.36 0.00 0.00 54.97 55.99 3hr9 s GLU 56 Cb -0.15 0.45 0.02 0.00 0.26 0.00 0.00 34.13 34.71 3hr9 s GLU 56 CO -0.07 -0.21 -0.10 0.08 -0.54 0.00 0.00 175.26 174.42 3hr9 s VAL 57 N -0.40 0.94 0.12 3.70 1.01 -0.59 -0.67 120.40 124.51 3hr9 s VAL 57 Ca -0.05 -0.37 0.10 0.00 0.00 0.00 0.00 61.98 61.66 3hr9 s VAL 57 Cb -0.03 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3hr9 s VAL 57 CO 0.05 0.31 -0.24 -1.81 0.00 0.00 0.00 175.10 173.41 3hr9 s ASP 58 N 0.73 2.96 -0.16 3.32 1.01 0.83 -0.41 116.67 124.94 3hr9 s ASP 58 Ca -0.14 -0.72 -0.00 0.00 0.71 0.00 0.00 52.55 52.40 3hr9 s ASP 58 Cb -0.15 -0.18 0.04 0.00 1.01 0.00 0.00 42.92 43.63 3hr9 s ASP 58 CO 0.03 0.12 -0.06 -0.63 0.21 0.00 0.00 175.17 174.84 3hr9 s ILE 59 N -1.12 1.09 -0.09 0.77 1.01 -0.17 -2.13 121.20 120.56 3hr9 s ILE 59 Ca 0.11 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.18 3hr9 s ILE 59 Cb -0.10 -1.24 0.03 0.00 0.01 0.00 0.00 42.46 41.17 3hr9 s ILE 59 CO 0.05 0.17 0.01 -1.61 0.00 0.00 0.00 174.94 173.57 3hr9 s GLU 60 N 1.65 0.56 -0.28 2.79 2.02 0.04 -1.33 118.70 124.15 3hr9 s GLU 60 Ca 0.02 0.04 -0.25 0.00 0.02 0.00 0.00 54.97 54.79 3hr9 s GLU 60 Cb -0.15 -1.15 0.00 0.00 0.10 0.00 0.00 34.13 32.93 3hr9 s GLU 60 CO -0.08 -0.37 0.86 0.08 0.02 0.00 0.00 175.26 175.78 3hr9 s VAL 61 N 1.97 4.76 -0.23 2.63 1.01 0.18 -0.05 120.40 130.67 3hr9 s VAL 61 Ca 0.04 1.47 -0.20 0.00 0.00 0.00 0.00 61.98 63.29 3hr9 s VAL 61 Cb -0.13 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 3hr9 s VAL 61 CO -0.06 -0.21 0.59 -0.76 0.00 0.00 0.00 175.10 174.66 3hr9 s LEU 62 N 3.04 4.10 0.33 3.92 1.43 -1.26 -1.96 118.68 128.27 3hr9 s LEU 62 Ca 0.36 0.70 0.12 0.00 -1.03 0.00 0.00 54.13 54.28 3hr9 s LEU 62 Cb -0.14 -2.80 1.02 0.00 0.03 0.00 0.00 46.19 44.30 3hr9 s LEU 62 CO 0.10 -0.29 1.64 1.23 0.23 0.00 0.00 176.35 179.26 3hr9 h GLY 63 N 8.51 1.88 2.00 -3.19 0.00 -0.86 0.34 103.07 111.75 3hr9 h GLY 63 Ca -0.30 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3hr9 h GLY 63 CO 0.76 -0.52 0.00 0.07 0.00 0.00 0.00 176.54 176.85 3hr9 h LYS 64 N 0.22 0.00 -2.25 4.80 2.10 -1.59 -3.18 116.57 116.67 3hr9 h LYS 64 Ca 0.70 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.76 3hr9 h LYS 64 Cb 1.61 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 32.53 3hr9 h LYS 64 CO -0.67 0.00 -0.81 0.09 -2.00 0.00 0.00 179.45 176.07 3hr9 n ASN 65 N -2.39 2.02 0.32 7.07 5.03 0.11 -4.94 115.26 122.47 3hr9 n ASN 65 Ca 0.02 -3.05 0.20 0.00 0.87 0.00 0.00 54.58 52.62 3hr9 n ASN 65 Cb 0.23 -0.66 1.07 0.00 -1.02 0.00 0.00 39.78 39.40 3hr9 n ASN 65 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 3hr9 h PRO 66 N 4.40 0.00 -0.61 3.52 0.13 -1.70 -2.79 132.00 134.95 3hr9 h PRO 66 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3hr9 h PRO 66 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3hr9 h PRO 66 CO 0.65 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.84 3hr9 n GLY 67 N -0.93 0.91 3.84 1.56 0.00 -1.26 -0.69 105.19 108.63 3hr9 n GLY 67 Ca -0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 3hr9 n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hr9 s SER 68 N -0.48 -0.19 0.05 1.61 1.04 -1.05 -0.60 113.70 114.08 3hr9 s SER 68 Ca 0.09 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.82 3hr9 s SER 68 Cb 0.06 0.73 -0.03 0.00 0.10 0.00 0.00 66.02 66.88 3hr9 s SER 68 CO 0.04 -1.38 -0.04 0.72 0.98 0.00 0.00 173.24 173.56 3hr9 s PHE 69 N -3.48 0.52 -0.18 5.02 -0.12 -0.38 -4.51 117.98 114.84 3hr9 s PHE 69 Ca 0.12 -0.77 -0.09 0.00 -0.05 0.00 0.00 56.93 56.14 3hr9 s PHE 69 Cb -0.05 -0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 41.94 3hr9 s PHE 69 CO 0.08 -0.23 0.13 -1.14 -0.05 0.00 0.00 175.22 174.00 3hr9 s GLN 70 N -2.71 4.03 0.12 1.99 0.74 0.92 -1.28 119.66 123.47 3hr9 s GLN 70 Ca -0.03 -0.21 0.02 0.00 0.05 0.00 0.00 55.36 55.20 3hr9 s GLN 70 Cb -0.01 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 3hr9 s GLN 70 CO -0.04 0.40 0.25 -1.54 -0.55 0.00 0.00 175.29 173.80 3hr9 s SER 71 N 0.07 6.30 0.08 6.67 1.04 0.06 -0.78 113.70 127.15 3hr9 s SER 71 Ca 0.09 0.19 -0.26 0.00 0.48 0.00 0.00 55.95 56.45 3hr9 s SER 71 Cb -0.11 -1.90 0.08 0.00 0.10 0.00 0.00 66.02 64.19 3hr9 s SER 71 CO -0.01 0.09 0.69 0.21 0.98 0.00 0.00 173.24 175.20 3hr9 s ASN 72 N -2.98 -0.53 -0.06 7.02 3.04 -0.91 -2.15 114.94 118.37 3hr9 s ASN 72 Ca 0.34 0.12 0.01 0.00 0.04 0.00 0.00 52.86 53.38 3hr9 s ASN 72 Cb -0.12 0.53 0.02 0.00 -1.54 0.00 0.00 41.25 40.15 3hr9 s ASN 72 CO 0.28 -0.82 -0.07 -0.63 -3.04 0.00 0.00 177.10 172.82 3hr9 s ILE 73 N -3.14 0.75 -0.22 -5.21 1.01 -1.26 -0.12 121.20 113.01 3hr9 s ILE 73 Ca -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 3hr9 s ILE 73 Cb -0.01 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.73 3hr9 s ILE 73 CO -0.08 0.28 -0.09 -0.63 0.00 0.00 0.00 174.94 174.41 3hr9 s ILE 74 N 0.94 2.89 0.00 2.92 -1.09 0.16 -3.58 121.20 123.43 3hr9 s ILE 74 Ca -0.10 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 57.57 3hr9 s ILE 74 Cb -0.15 -2.33 0.00 0.00 -1.58 0.00 0.00 42.46 38.40 3hr9 s ILE 74 CO 0.00 0.40 0.00 0.35 -1.23 0.00 0.00 174.94 174.47 3hr9 n THR 75 N 4.72 0.00 -3.16 2.92 -2.24 -0.34 -2.20 114.28 113.98 3hr9 n THR 75 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3hr9 n THR 75 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 3hr9 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hr9 n GLY 76 N 3.27 0.52 3.43 3.38 0.00 -1.26 -1.44 105.19 113.10 3hr9 n GLY 76 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 3hr9 n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hr9 s LYS 77 N 0.00 1.28 0.22 1.61 -2.85 -0.86 -1.18 119.74 117.96 3hr9 s LYS 77 Ca 0.00 -1.08 -0.32 0.00 -1.00 0.00 0.00 55.97 53.57 3hr9 s LYS 77 Cb 0.00 0.44 -0.13 0.00 -2.06 0.00 0.00 37.83 36.08 3hr9 s LYS 77 CO 0.00 -0.51 1.52 0.00 0.10 0.00 0.00 175.35 176.46 3hr9 n ALA 78 N -0.28 1.55 0.00 0.59 0.00 -1.26 0.01 120.51 121.12 3hr9 n ALA 78 Ca -0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3hr9 n ALA 78 Cb 0.63 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3hr9 n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hr9 n GLY 79 N 2.72 2.25 2.48 0.00 0.00 -1.26 -4.82 105.19 106.56 3hr9 n GLY 79 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 3hr9 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hr9 n ALA 80 N -0.70 0.89 -1.79 4.61 0.00 0.10 -5.14 120.51 118.49 3hr9 n ALA 80 Ca 0.00 -2.44 -0.34 0.00 0.00 0.00 0.00 53.44 50.67 3hr9 n ALA 80 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 3hr9 n ALA 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hr9 s GLN 81 N -1.19 3.80 -0.15 0.00 -0.21 -0.85 -2.02 119.66 119.05 3hr9 s GLN 81 Ca 0.30 1.30 -0.02 0.00 0.02 0.00 0.00 55.36 56.96 3hr9 s GLN 81 Cb 0.34 -2.10 -0.02 0.00 1.00 0.00 0.00 33.01 32.23 3hr9 s GLN 81 CO -0.06 -0.42 -0.08 0.15 -2.12 0.00 0.00 175.29 172.76 3hr9 s LYS 82 N -3.36 3.50 0.35 2.91 1.02 -0.52 -4.90 119.74 118.75 3hr9 s LYS 82 Ca 0.66 -0.61 0.03 0.00 0.02 0.00 0.00 55.97 56.07 3hr9 s LYS 82 Cb -0.15 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 3hr9 s LYS 82 CO 0.21 0.18 0.11 0.95 -0.92 0.00 0.00 175.35 175.88 3hr9 s THR 83 N 0.49 0.72 -0.44 2.17 -4.23 -1.26 -1.20 115.64 111.89 3hr9 s THR 83 Ca -0.06 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.52 3hr9 s THR 83 Cb -0.15 -2.53 0.33 0.00 1.34 0.00 0.00 72.50 71.49 3hr9 s THR 83 CO 0.04 0.00 1.09 -1.54 -0.54 0.00 0.00 174.62 173.66 3hr9 n SER 84 N -0.99 -1.93 -4.74 3.99 3.41 -1.24 -4.96 113.62 107.17 3hr9 n SER 84 Ca -0.03 -3.54 -0.42 0.00 -0.26 0.00 0.00 58.87 54.62 3hr9 n SER 84 Cb 0.66 1.57 -0.02 0.00 -0.26 0.00 0.00 64.21 66.15 3hr9 n SER 84 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hr9 s GLU 85 N -0.07 4.17 0.11 4.33 8.01 -1.26 -4.54 118.70 129.44 3hr9 s GLU 85 Ca 0.24 2.49 -0.03 0.00 0.01 0.00 0.00 54.97 57.69 3hr9 s GLU 85 Cb 0.31 -3.06 -0.03 0.00 -4.31 0.00 0.00 34.13 27.03 3hr9 s GLU 85 CO -0.06 -0.60 0.08 0.15 0.01 0.00 0.00 175.26 174.84 3hr9 s LYS 86 N -0.05 0.88 0.04 1.61 1.02 -0.92 -4.99 119.74 117.33 3hr9 s LYS 86 Ca 0.65 -1.32 0.05 0.00 0.02 0.00 0.00 55.97 55.37 3hr9 s LYS 86 Cb -0.46 0.26 -0.02 0.00 -0.52 0.00 0.00 37.83 37.09 3hr9 s LYS 86 CO 0.43 -0.25 -0.15 -1.01 -0.92 0.00 0.00 175.35 173.44 3hr9 s HIS 87 N -4.00 1.35 -0.03 3.18 3.76 -1.26 -0.76 115.29 117.54 3hr9 s HIS 87 Ca 0.18 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 3hr9 s HIS 87 Cb 0.07 -0.81 0.03 0.00 1.11 0.00 0.00 32.58 32.98 3hr9 s HIS 87 CO -0.02 0.04 -0.01 -1.01 -0.85 0.00 0.00 174.74 172.89 3hr9 s HIS 88 N -0.81 0.44 0.37 1.40 0.09 -0.40 -4.98 115.29 111.40 3hr9 s HIS 88 Ca 0.03 -0.06 -0.27 0.00 -0.00 0.00 0.00 55.06 54.77 3hr9 s HIS 88 Cb -0.08 -0.49 -0.09 0.00 -0.00 0.00 0.00 32.58 31.92 3hr9 s HIS 88 CO 0.01 -0.15 1.21 0.00 -0.00 0.00 0.00 174.74 175.81 3hr9 s ALA 89 N 1.03 3.28 -0.04 -1.40 0.00 -1.26 -1.25 121.76 122.12 3hr9 s ALA 89 Ca -0.10 1.07 0.03 0.00 0.00 0.00 0.00 51.96 52.96 3hr9 s ALA 89 Cb -0.14 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3hr9 s ALA 89 CO -0.01 -0.55 -0.14 0.08 0.00 0.00 0.00 175.76 175.14 3hr9 s VAL 90 N -1.29 1.19 -0.09 0.00 1.01 0.23 -4.90 120.40 116.55 3hr9 s VAL 90 Ca 0.53 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 3hr9 s VAL 90 Cb -0.34 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.05 3hr9 s VAL 90 CO 0.44 0.35 0.20 -0.55 0.00 0.00 0.00 175.10 175.54 3hr9 s SER 91 N 0.18 -0.12 1.16 3.32 0.15 -1.26 -3.77 113.70 113.36 3hr9 s SER 91 Ca -0.05 0.43 -0.13 0.00 0.70 0.00 0.00 55.95 56.90 3hr9 s SER 91 Cb -0.11 0.33 0.28 0.00 -1.71 0.00 0.00 66.02 64.81 3hr9 s SER 91 CO 0.02 -0.17 1.03 -2.84 1.20 0.00 0.00 173.24 172.48 3hr9 s PRO 92 N 1.33 -0.91 0.57 5.44 0.02 -1.26 -5.07 135.00 135.11 3hr9 s PRO 92 Ca -0.08 0.86 -0.19 0.00 0.02 0.00 0.00 61.00 61.61 3hr9 s PRO 92 Cb -0.11 -1.55 -0.07 0.00 0.02 0.00 0.00 34.50 32.79 3hr9 s PRO 92 CO -0.07 -3.73 0.77 0.00 -0.33 0.00 0.00 177.00 173.64 3hr9 n ALA 93 N -4.92 -0.44 0.02 -1.55 0.00 -1.25 -4.74 120.51 107.63 3hr9 n ALA 93 Ca 0.03 0.02 0.20 0.00 0.00 0.00 0.00 53.44 53.69 3hr9 n ALA 93 Cb 0.54 -1.98 0.71 0.00 0.00 0.00 0.00 19.45 18.73 3hr9 n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hr9 h ALA 94 N 0.48 2.41 -0.27 0.00 0.00 -1.14 0.10 119.26 120.84 3hr9 h ALA 94 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hr9 h ALA 94 Cb 1.38 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3hr9 h ALA 94 CO 0.50 -0.65 0.00 -0.40 0.00 0.00 0.00 179.25 178.70 3hr9 n ASP 95 N -4.23 3.06 -0.03 0.00 3.85 -1.25 -0.84 116.55 117.11 3hr9 n ASP 95 Ca 0.09 -1.94 0.06 0.00 -0.71 0.00 0.00 54.79 52.29 3hr9 n ASP 95 Cb 0.61 -0.17 -0.07 0.00 -1.35 0.00 0.00 41.12 40.14 3hr9 n ASP 95 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hr9 n GLN 96 N 1.26 2.52 -3.48 0.11 1.13 0.34 -4.82 117.38 114.44 3hr9 n GLN 96 Ca 0.18 -0.07 -0.11 0.00 -1.94 0.00 0.00 57.00 55.06 3hr9 n GLN 96 Cb 0.56 -1.14 -0.02 0.00 0.11 0.00 0.00 30.24 29.75 3hr9 n GLN 96 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hr9 s ALA 97 N -2.21 -1.49 0.28 -1.58 0.00 -1.10 -4.93 121.76 110.73 3hr9 s ALA 97 Ca 0.06 0.36 -0.21 0.00 0.00 0.00 0.00 51.96 52.16 3hr9 s ALA 97 Cb 0.10 0.87 -0.09 0.00 0.00 0.00 0.00 23.12 24.00 3hr9 s ALA 97 CO 0.53 -0.78 0.81 -0.06 0.00 0.00 0.00 175.76 176.25 3hr9 s PHE 98 N -3.77 3.60 0.05 0.00 0.40 -1.26 -4.42 117.98 112.58 3hr9 s PHE 98 Ca 0.02 1.50 -0.02 0.00 -0.60 0.00 0.00 56.93 57.83 3hr9 s PHE 98 Cb -0.01 -2.71 -0.03 0.00 0.51 0.00 0.00 43.02 40.77 3hr9 s PHE 98 CO -0.11 0.24 -0.00 -1.01 0.70 0.00 0.00 175.22 175.03 3hr9 s HIS 99 N -1.65 0.42 -0.36 0.36 3.76 -0.40 -4.94 115.29 112.48 3hr9 s HIS 99 Ca 0.48 -0.89 -0.12 0.00 -0.15 0.00 0.00 55.06 54.38 3hr9 s HIS 99 Cb -0.16 -0.31 0.00 0.00 1.11 0.00 0.00 32.58 33.23 3hr9 s HIS 99 CO 0.21 -0.35 0.23 0.99 -0.85 0.00 0.00 174.74 174.97 3hr9 s THR 100 N -3.33 5.00 -0.16 1.30 2.01 -1.26 -1.20 115.64 118.00 3hr9 s THR 100 Ca 0.01 -0.50 -0.13 0.00 0.31 0.00 0.00 61.69 61.38 3hr9 s THR 100 Cb 0.04 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 3hr9 s THR 100 CO -0.08 -0.12 0.28 -0.31 -0.69 0.00 0.00 174.62 173.71 3hr9 s TYR 101 N 1.66 3.47 0.01 4.92 1.51 0.10 -0.19 117.35 128.83 3hr9 s TYR 101 Ca 0.05 0.59 0.06 0.00 -1.01 0.00 0.00 57.07 56.76 3hr9 s TYR 101 Cb -0.18 -2.32 -0.02 0.00 -0.11 0.00 0.00 41.96 39.33 3hr9 s TYR 101 CO 0.09 0.26 -0.19 0.20 -1.11 0.00 0.00 175.55 174.80 3hr9 s GLY 102 N 0.38 0.98 -0.06 0.71 0.00 0.03 -0.94 107.32 108.43 3hr9 s GLY 102 Ca 0.16 -0.91 0.03 0.00 0.00 0.00 0.00 44.72 44.00 3hr9 s GLY 102 CO 0.04 -0.81 -0.13 1.08 0.00 0.00 0.00 173.10 173.28 3hr9 s LEU 103 N -0.80 1.74 -0.06 0.66 1.43 0.10 -1.08 118.68 120.67 3hr9 s LEU 103 Ca 0.07 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 52.92 3hr9 s LEU 103 Cb -0.08 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.29 3hr9 s LEU 103 CO 0.00 0.07 -0.25 -1.61 0.23 0.00 0.00 176.35 174.80 3hr9 s GLU 104 N 0.45 2.58 -0.08 1.70 2.02 0.27 -0.27 118.70 125.37 3hr9 s GLU 104 Ca -0.11 -0.90 -0.01 0.00 0.02 0.00 0.00 54.97 53.97 3hr9 s GLU 104 Cb -0.14 -2.16 0.03 0.00 0.10 0.00 0.00 34.13 31.96 3hr9 s GLU 104 CO 0.03 0.36 0.01 -0.46 0.02 0.00 0.00 175.26 175.22 3hr9 s TRP 105 N -0.12 0.70 0.35 1.61 -0.00 -0.39 -0.92 118.94 120.17 3hr9 s TRP 105 Ca -0.05 -0.23 0.04 0.00 -0.00 0.00 0.00 56.10 55.86 3hr9 s TRP 105 Cb -0.14 -0.82 -0.03 0.00 -0.00 0.00 0.00 33.47 32.47 3hr9 s TRP 105 CO 0.04 -0.35 0.16 0.95 -0.00 0.00 0.00 176.95 177.74 3hr9 s THR 106 N 1.96 0.43 0.48 5.86 -4.23 -0.07 -1.41 115.64 118.66 3hr9 s THR 106 Ca 0.04 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 58.88 3hr9 s THR 106 Cb -0.13 -2.46 0.36 0.00 1.34 0.00 0.00 72.50 71.61 3hr9 s THR 106 CO -0.06 0.00 2.18 -0.65 -0.54 0.00 0.00 174.62 175.55 3hr9 h PRO 107 N 2.04 0.00 0.00 3.99 0.11 -1.97 -3.22 132.00 132.95 3hr9 h PRO 107 Ca -0.33 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.53 3hr9 h PRO 107 Cb 1.26 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 3hr9 h PRO 107 CO 0.53 0.05 -2.23 0.09 -0.21 0.00 0.00 178.00 176.23 3hr9 n ASN 108 N -3.48 0.15 -3.84 -2.05 3.02 -1.26 -4.74 115.26 103.06 3hr9 n ASN 108 Ca -0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.45 3hr9 n ASN 108 Cb 0.17 1.29 -0.02 0.00 -0.61 0.00 0.00 39.78 40.61 3hr9 n ASN 108 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3hr9 s TYR 109 N -2.78 -0.17 -0.06 3.10 -0.85 -1.22 -4.48 117.35 110.90 3hr9 s TYR 109 Ca -0.09 -0.26 0.03 0.00 -0.52 0.00 0.00 57.07 56.23 3hr9 s TYR 109 Cb 0.08 0.65 0.00 0.00 0.38 0.00 0.00 41.96 43.08 3hr9 s TYR 109 CO 0.83 -1.19 -0.16 0.08 -1.52 0.00 0.00 175.55 173.60 3hr9 s VAL 110 N -3.91 1.36 0.01 -3.49 1.01 -0.51 -0.90 120.40 113.97 3hr9 s VAL 110 Ca 0.11 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.49 3hr9 s VAL 110 Cb -0.05 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 3hr9 s VAL 110 CO 0.06 0.40 -0.14 -0.60 0.00 0.00 0.00 175.10 174.81 3hr9 s ARG 111 N 0.32 1.05 -0.11 2.72 3.52 -0.10 -0.73 118.95 125.61 3hr9 s ARG 111 Ca -0.10 -0.61 0.02 0.00 -0.13 0.00 0.00 55.73 54.92 3hr9 s ARG 111 Cb -0.14 -1.03 -0.01 0.00 -1.56 0.00 0.00 34.95 32.21 3hr9 s ARG 111 CO 0.03 0.27 -0.19 -1.58 -0.81 0.00 0.00 175.30 173.02 3hr9 s TRP 112 N -0.55 2.66 0.08 5.12 0.51 -0.02 -0.56 118.94 126.19 3hr9 s TRP 112 Ca 0.04 -0.83 0.06 0.00 -2.12 0.00 0.00 56.10 53.25 3hr9 s TRP 112 Cb -0.06 -1.75 -0.03 0.00 -0.81 0.00 0.00 33.47 30.81 3hr9 s TRP 112 CO 0.00 -0.30 -0.15 0.95 -0.51 0.00 0.00 176.95 176.95 3hr9 s THR 113 N 0.27 1.21 -0.13 2.01 -4.23 -0.24 -0.96 115.64 113.56 3hr9 s THR 113 Ca -0.13 -1.40 -0.00 0.00 -1.18 0.00 0.00 61.69 58.97 3hr9 s THR 113 Cb -0.17 -1.20 0.03 0.00 1.34 0.00 0.00 72.50 72.50 3hr9 s THR 113 CO 0.07 -0.24 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.13 3hr9 s VAL 114 N -1.42 1.15 -1.47 2.29 1.01 -0.10 -0.79 120.40 121.07 3hr9 s VAL 114 Ca 0.01 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 3hr9 s VAL 114 Cb -0.09 -1.19 0.06 0.00 0.00 0.00 0.00 36.38 35.16 3hr9 s VAL 114 CO 0.03 0.31 1.01 0.47 0.00 0.00 0.00 175.10 176.92 3hr9 n ASP 115 N 4.89 -4.86 0.00 3.32 10.43 0.73 -1.37 116.55 129.69 3hr9 n ASP 115 Ca -0.13 -0.72 0.00 0.00 2.57 0.00 0.00 54.79 56.50 3hr9 n ASP 115 Cb 0.49 -4.18 0.00 0.00 1.84 0.00 0.00 41.12 39.27 3hr9 n ASP 115 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hr9 n GLY 116 N -1.75 1.74 3.78 0.44 0.00 -1.26 -5.01 105.19 103.12 3hr9 n GLY 116 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3hr9 n GLY 116 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hr9 s GLN 117 N -0.00 3.80 0.16 1.61 -1.52 -0.47 -5.02 119.66 118.22 3hr9 s GLN 117 Ca 0.00 -0.21 -0.31 0.00 -1.95 0.00 0.00 55.36 52.90 3hr9 s GLN 117 Cb 0.00 -3.27 -0.09 0.00 -0.22 0.00 0.00 33.01 29.43 3hr9 s GLN 117 CO 0.00 0.51 1.38 -2.00 -0.25 0.00 0.00 175.29 174.93 3hr9 s GLU 118 N -0.27 4.33 -0.00 2.91 2.12 -1.26 -0.92 118.70 125.60 3hr9 s GLU 118 Ca 0.11 2.12 0.05 0.00 0.36 0.00 0.00 54.97 57.60 3hr9 s GLU 118 Cb -0.12 -3.21 -0.06 0.00 0.26 0.00 0.00 34.13 31.00 3hr9 s GLU 118 CO 0.01 -0.38 0.14 1.33 -0.54 0.00 0.00 175.26 175.82 3hr9 n VAL 119 N 3.30 0.00 -3.62 3.70 0.24 -0.13 -4.91 118.33 116.90 3hr9 n VAL 119 Ca 0.09 -0.22 -0.13 0.00 -2.04 0.00 0.00 64.34 62.05 3hr9 n VAL 119 Cb 0.42 0.63 -0.07 0.00 -1.47 0.00 0.00 33.84 33.35 3hr9 n VAL 119 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3hr9 s ARG 120 N -1.98 0.74 -0.04 7.34 3.52 -1.18 -5.01 118.95 122.33 3hr9 s ARG 120 Ca -0.00 0.77 -0.02 0.00 -0.13 0.00 0.00 55.73 56.35 3hr9 s ARG 120 Cb 0.03 0.36 0.03 0.00 -1.56 0.00 0.00 34.95 33.81 3hr9 s ARG 120 CO 0.19 -0.11 0.07 0.21 -0.81 0.00 0.00 175.30 174.85 3hr9 s LYS 121 N 0.14 -0.06 -0.05 5.12 2.20 -1.26 -0.84 119.74 124.99 3hr9 s LYS 121 Ca 0.00 0.38 0.06 0.00 -0.36 0.00 0.00 55.97 56.05 3hr9 s LYS 121 Cb -0.04 -0.46 -0.02 0.00 -1.51 0.00 0.00 37.83 35.80 3hr9 s LYS 121 CO -0.01 -0.31 -0.21 0.99 -0.36 0.00 0.00 175.35 175.45 3hr9 s THR 122 N 2.07 2.42 0.38 3.43 2.01 0.09 -4.99 115.64 121.05 3hr9 s THR 122 Ca 0.03 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.12 3hr9 s THR 122 Cb -0.12 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 3hr9 s THR 122 CO -0.03 0.58 0.10 -1.61 -0.69 0.00 0.00 174.62 172.96 3hr9 s GLU 123 N -0.42 1.83 0.27 4.92 2.02 -1.26 -1.43 118.70 124.62 3hr9 s GLU 123 Ca 0.04 -2.08 0.00 0.00 0.02 0.00 0.00 54.97 52.95 3hr9 s GLU 123 Cb -0.12 -0.74 0.00 0.00 0.10 0.00 0.00 34.13 33.37 3hr9 s GLU 123 CO 0.01 -0.36 0.00 0.41 0.02 0.00 0.00 175.26 175.34 3hr9 n GLY 124 N -0.83 0.34 0.31 -1.39 0.00 -1.26 -4.67 105.19 97.68 3hr9 n GLY 124 Ca -0.05 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 3hr9 n GLY 124 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hr9 h GLY 125 N 0.00 -0.35 1.11 -0.02 0.00 -1.99 -1.22 103.07 100.60 3hr9 h GLY 125 Ca 0.00 0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.59 3hr9 h GLY 125 CO 0.00 -0.21 0.03 1.46 0.00 0.00 0.00 176.54 177.82 3hr9 h GLN 126 N -0.35 1.07 -0.96 4.80 4.20 -1.98 -2.60 115.11 119.29 3hr9 h GLN 126 Ca 0.10 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.50 3hr9 h GLN 126 Cb 0.51 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 3hr9 h GLN 126 CO -0.34 1.02 0.62 0.28 -0.67 0.00 0.00 178.83 179.75 3hr9 h VAL 127 N 0.98 1.25 0.00 -0.54 2.07 -1.76 -0.40 116.25 117.86 3hr9 h VAL 127 Ca 0.18 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3hr9 h VAL 127 Cb 0.52 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3hr9 h VAL 127 CO 0.02 0.25 -0.01 0.77 0.02 0.00 0.00 177.57 178.62 3hr9 h SER 128 N 1.31 0.00 -0.61 0.57 4.64 -0.86 -2.07 113.55 116.53 3hr9 h SER 128 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3hr9 h SER 128 Cb -0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3hr9 h SER 128 CO -0.07 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 176.49 3hr9 n ASN 129 N -3.15 3.69 -3.92 4.97 3.02 -0.19 -4.54 115.26 115.13 3hr9 n ASN 129 Ca -0.02 -1.99 -0.43 0.00 -0.03 0.00 0.00 54.58 52.11 3hr9 n ASN 129 Cb 0.16 -0.40 0.01 0.00 -0.61 0.00 0.00 39.78 38.94 3hr9 n ASN 129 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hr9 n LEU 130 N 1.55 6.56 -4.95 3.41 4.77 -0.78 -4.89 117.00 122.67 3hr9 n LEU 130 Ca 0.22 -4.83 -0.24 0.00 -0.03 0.00 0.00 56.01 51.14 3hr9 n LEU 130 Cb 0.60 -1.41 0.05 0.00 -2.33 0.00 0.00 43.42 40.32 3hr9 n LEU 130 CO 0.16 1.47 0.47 0.42 -1.33 0.00 0.00 177.39 178.58 3hr9 s THR 131 N -0.65 2.76 0.00 -5.08 -4.23 -1.26 -4.96 115.64 102.22 3hr9 s THR 131 Ca 0.37 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 3hr9 s THR 131 Cb 0.08 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.82 3hr9 s THR 131 CO 0.04 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3hr9 n GLY 132 N -2.56 -0.46 3.60 3.99 0.00 -1.26 -4.92 105.19 103.58 3hr9 n GLY 132 Ca 0.07 -1.09 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 3hr9 n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hr9 s THR 133 N 0.00 3.22 0.02 2.61 -4.23 -1.26 -4.53 115.64 111.46 3hr9 s THR 133 Ca 0.00 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 3hr9 s THR 133 Cb 0.00 -2.69 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 3hr9 s THR 133 CO 0.00 -0.32 -0.03 -1.10 -0.54 0.00 0.00 174.62 172.63 3hr9 s GLN 134 N -3.44 0.27 0.29 3.99 -0.21 0.37 -4.28 119.66 116.65 3hr9 s GLN 134 Ca 0.30 -0.44 0.06 0.00 0.02 0.00 0.00 55.36 55.30 3hr9 s GLN 134 Cb -0.07 -0.01 -0.02 0.00 1.00 0.00 0.00 33.01 33.91 3hr9 s GLN 134 CO 0.18 -0.01 0.37 0.20 -2.12 0.00 0.00 175.29 173.91 3hr9 s GLY 135 N -1.00 1.45 -0.19 3.09 0.00 -0.03 -0.76 107.32 109.86 3hr9 s GLY 135 Ca -0.10 -1.39 -0.12 0.00 0.00 0.00 0.00 44.72 43.11 3hr9 s GLY 135 CO -0.00 -1.36 0.22 -2.27 0.00 0.00 0.00 173.10 169.69 3hr9 s LEU 136 N -4.04 4.20 0.09 0.66 2.96 -1.26 -0.95 118.68 120.33 3hr9 s LEU 136 Ca 0.39 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.65 3hr9 s LEU 136 Cb -0.09 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 3hr9 s LEU 136 CO 0.29 0.10 -0.06 -0.13 -1.32 0.00 0.00 176.35 175.23 3hr9 s ARG 137 N 0.64 0.77 -0.03 1.98 0.52 0.13 -1.15 118.95 121.81 3hr9 s ARG 137 Ca 0.12 -1.27 0.01 0.00 -0.52 0.00 0.00 55.73 54.07 3hr9 s ARG 137 Cb -0.13 -0.14 0.02 0.00 0.52 0.00 0.00 34.95 35.22 3hr9 s ARG 137 CO 0.02 -0.03 -0.02 -0.06 0.02 0.00 0.00 175.30 175.23 3hr9 s PHE 138 N -3.51 0.46 0.08 -0.53 0.40 0.03 0.00 117.98 114.92 3hr9 s PHE 138 Ca 0.09 -0.08 -0.04 0.00 -0.60 0.00 0.00 56.93 56.31 3hr9 s PHE 138 Cb 0.05 -0.44 -0.03 0.00 0.51 0.00 0.00 43.02 43.11 3hr9 s PHE 138 CO -0.05 -0.11 0.06 0.54 0.70 0.00 0.00 175.22 176.36 3hr9 s ASN 139 N 0.67 0.33 -0.12 1.36 2.20 -1.17 -0.51 114.94 117.71 3hr9 s ASN 139 Ca -0.07 -0.93 -0.04 0.00 -0.94 0.00 0.00 52.86 50.87 3hr9 s ASN 139 Cb -0.11 0.27 0.05 0.00 -2.00 0.00 0.00 41.25 39.46 3hr9 s ASN 139 CO -0.01 -0.67 0.08 -0.22 -2.94 0.00 0.00 177.10 173.33 3hr9 s LEU 140 N -2.93 0.28 0.00 3.54 0.20 -0.23 -0.83 118.68 118.71 3hr9 s LEU 140 Ca 0.10 -0.33 0.00 0.00 0.69 0.00 0.00 54.13 54.59 3hr9 s LEU 140 Cb 0.07 -0.21 0.00 0.00 -0.43 0.00 0.00 46.19 45.62 3hr9 s LEU 140 CO -0.08 -0.31 0.00 -2.67 -0.29 0.00 0.00 176.35 173.01 3hr9 n TRP 141 N 5.28 -0.37 -3.86 5.38 4.27 -0.22 -2.04 117.44 125.88 3hr9 n TRP 141 Ca -0.05 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.40 3hr9 n TRP 141 Cb 0.49 0.00 -0.16 0.00 -1.36 0.00 0.00 31.31 30.29 3hr9 n TRP 141 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 3hr9 s SER 142 N -0.27 0.22 0.03 -0.67 0.15 -1.26 -0.91 113.70 111.00 3hr9 s SER 142 Ca 0.00 0.00 -0.10 0.00 0.70 0.00 0.00 55.95 56.55 3hr9 s SER 142 Cb 0.00 -0.13 -0.05 0.00 -1.71 0.00 0.00 66.02 64.13 3hr9 s SER 142 CO 0.00 -0.10 0.35 -0.55 1.20 0.00 0.00 173.24 174.15 3hr9 s SER 143 N 0.90 6.62 0.00 5.45 0.15 -0.91 -1.60 113.70 124.31 3hr9 s SER 143 Ca -0.08 0.75 0.30 0.00 0.70 0.00 0.00 55.95 57.62 3hr9 s SER 143 Cb -0.12 -2.16 1.57 0.00 -1.71 0.00 0.00 66.02 63.60 3hr9 s SER 143 CO -0.02 0.24 2.07 -0.62 1.20 0.00 0.00 173.24 176.10 3hr9 n GLU 144 N 1.21 0.53 -2.77 5.44 1.02 0.29 -4.59 120.64 121.77 3hr9 n GLU 144 Ca -0.11 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.61 3hr9 n GLU 144 Cb 0.53 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.41 3hr9 n GLU 144 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hr9 s SER 145 N -2.46 6.20 0.44 1.62 0.15 -1.26 -4.87 113.70 113.51 3hr9 s SER 145 Ca 0.32 -0.90 0.17 0.00 0.70 0.00 0.00 55.95 56.23 3hr9 s SER 145 Cb 0.20 -2.46 1.01 0.00 -1.71 0.00 0.00 66.02 63.06 3hr9 s SER 145 CO 0.44 -1.53 1.95 0.00 1.20 0.00 0.00 173.24 175.30 3hr9 h ALA 146 N 9.67 1.50 -0.25 5.45 0.00 -1.81 -2.29 119.26 131.53 3hr9 h ALA 146 Ca -0.25 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3hr9 h ALA 146 Cb 1.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3hr9 h ALA 146 CO 1.21 0.29 -0.07 0.00 0.00 0.00 0.00 179.25 180.68 3hr9 h ALA 147 N 1.77 1.41 0.09 0.00 0.00 -1.89 0.19 119.26 120.83 3hr9 h ALA 147 Ca -0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 3hr9 h ALA 147 Cb 0.44 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hr9 h ALA 147 CO 0.03 0.41 -0.52 2.35 0.00 0.00 0.00 179.25 181.52 3hr9 h TRP 148 N 0.38 0.35 -0.00 0.00 7.01 -1.83 -3.41 115.95 118.45 3hr9 h TRP 148 Ca 0.08 -0.25 0.00 0.00 2.11 0.00 0.00 58.89 60.83 3hr9 h TRP 148 Cb 0.37 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.41 3hr9 h TRP 148 CO 0.01 1.20 -0.02 1.33 -2.79 0.00 0.00 178.44 178.16 3hr9 n VAL 149 N -4.30 0.00 0.00 2.65 0.24 -1.03 -4.91 118.33 110.98 3hr9 n VAL 149 Ca -0.12 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 3hr9 n VAL 149 Cb 0.70 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 3hr9 n VAL 149 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hr9 n GLY 150 N 0.53 0.81 3.77 7.63 0.00 0.67 -0.55 105.19 118.04 3hr9 n GLY 150 Ca 0.00 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 3hr9 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hr9 s GLN 151 N -2.81 4.25 -0.24 1.61 -1.52 -1.26 -2.93 119.66 116.76 3hr9 s GLN 151 Ca 0.00 2.37 -0.29 0.00 -1.95 0.00 0.00 55.36 55.49 3hr9 s GLN 151 Cb 0.00 -3.03 -0.02 0.00 -0.22 0.00 0.00 33.01 29.74 3hr9 s GLN 151 CO 0.00 -0.35 1.53 0.12 -0.25 0.00 0.00 175.29 176.34 3hr9 s PHE 152 N -1.03 2.27 -0.84 0.91 5.36 -1.26 -3.58 117.98 119.82 3hr9 s PHE 152 Ca 0.51 0.63 -0.17 0.00 -0.96 0.00 0.00 56.93 56.95 3hr9 s PHE 152 Cb -0.43 -3.96 0.17 0.00 -0.34 0.00 0.00 43.02 38.46 3hr9 s PHE 152 CO 0.56 -2.60 0.91 0.34 -1.46 0.00 0.00 175.22 172.98 3hr9 s ASP 153 N 3.81 6.63 0.61 6.13 3.68 -0.83 -4.89 116.67 131.81 3hr9 s ASP 153 Ca 0.67 -2.25 0.33 0.00 2.13 0.00 0.00 52.55 53.43 3hr9 s ASP 153 Cb -0.23 -2.30 1.88 0.00 -1.45 0.00 0.00 42.92 40.82 3hr9 s ASP 153 CO 0.27 -0.85 2.19 -0.33 0.13 0.00 0.00 175.17 176.58 3hr9 h GLU 154 N 8.42 0.00 0.00 4.34 3.07 -1.92 -2.18 114.58 126.30 3hr9 h GLU 154 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 3hr9 h GLU 154 Cb 1.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 3hr9 h GLU 154 CO 0.95 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 177.43 3hr9 n SER 155 N -3.58 0.65 -0.13 1.42 3.41 -1.26 -2.03 113.62 112.09 3hr9 n SER 155 Ca -0.01 0.70 0.14 0.00 -0.26 0.00 0.00 58.87 59.43 3hr9 n SER 155 Cb 0.20 -0.82 0.54 0.00 -0.26 0.00 0.00 64.21 63.87 3hr9 n SER 155 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hr9 n LYS 156 N -2.25 0.63 -2.58 4.33 4.76 -0.82 -4.88 118.16 117.34 3hr9 n LYS 156 Ca 0.01 -0.25 -0.33 0.00 -2.87 0.00 0.00 58.31 54.86 3hr9 n LYS 156 Cb 0.17 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.83 3hr9 n LYS 156 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3hr9 s LEU 157 N -2.54 3.82 0.59 -0.35 1.43 -0.86 -4.38 118.68 116.39 3hr9 s LEU 157 Ca 0.26 1.78 -0.10 0.00 -1.03 0.00 0.00 54.13 55.04 3hr9 s LEU 157 Cb 0.20 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 3hr9 s LEU 157 CO 0.50 -0.63 0.98 -2.16 0.23 0.00 0.00 176.35 175.27 3hr9 s PRO 158 N -3.40 3.58 0.10 1.29 0.04 -1.26 -5.03 135.00 130.32 3hr9 s PRO 158 Ca 0.64 0.63 0.07 0.00 0.04 0.00 0.00 61.00 62.39 3hr9 s PRO 158 Cb -0.13 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 3hr9 s PRO 158 CO 0.20 -0.50 -0.18 -0.51 0.04 0.00 0.00 177.00 176.05 3hr9 s LEU 159 N -5.09 2.32 -0.01 -3.56 1.43 -0.72 -4.98 118.68 108.07 3hr9 s LEU 159 Ca 0.53 -0.70 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 3hr9 s LEU 159 Cb -0.11 -0.77 -0.00 0.00 0.03 0.00 0.00 46.19 45.34 3hr9 s LEU 159 CO 0.52 -0.00 -0.07 -0.36 0.23 0.00 0.00 176.35 176.67 3hr9 s PHE 160 N -1.37 0.60 -0.15 0.29 0.40 -1.26 -0.94 117.98 115.56 3hr9 s PHE 160 Ca 0.06 -0.11 -0.00 0.00 -0.60 0.00 0.00 56.93 56.27 3hr9 s PHE 160 Cb -0.09 -0.39 -0.01 0.00 0.51 0.00 0.00 43.02 43.04 3hr9 s PHE 160 CO 0.04 -0.01 -0.13 -1.14 0.70 0.00 0.00 175.22 174.68 3hr9 s GLN 161 N -0.14 3.35 -0.16 0.44 0.74 -0.26 -3.90 119.66 119.73 3hr9 s GLN 161 Ca 0.02 -0.69 -0.03 0.00 0.05 0.00 0.00 55.36 54.71 3hr9 s GLN 161 Cb -0.03 -2.67 -0.02 0.00 1.10 0.00 0.00 33.01 31.38 3hr9 s GLN 161 CO -0.00 0.12 -0.05 -0.06 -0.55 0.00 0.00 175.29 174.75 3hr9 s PHE 162 N 0.58 2.99 -0.25 1.67 0.40 -0.19 -1.07 117.98 122.10 3hr9 s PHE 162 Ca -0.08 -0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 55.84 3hr9 s PHE 162 Cb -0.16 -1.96 0.04 0.00 0.51 0.00 0.00 43.02 41.45 3hr9 s PHE 162 CO 0.03 -0.11 -0.07 0.42 0.70 0.00 0.00 175.22 176.19 3hr9 s ILE 163 N 0.49 2.69 -0.01 0.64 1.01 -0.03 -1.39 121.20 124.61 3hr9 s ILE 163 Ca -0.04 -1.20 -0.19 0.00 0.00 0.00 0.00 60.65 59.22 3hr9 s ILE 163 Cb -0.14 -2.42 -0.34 0.00 0.01 0.00 0.00 42.46 39.56 3hr9 s ILE 163 CO 0.03 0.13 0.95 -1.13 0.00 0.00 0.00 174.94 174.92 3hr9 h ASN 164 N 7.96 0.67 -4.98 3.58 -1.24 -1.02 -0.81 115.58 119.73 3hr9 h ASN 164 Ca -0.29 -0.94 0.06 0.00 0.71 0.00 0.00 56.30 55.84 3hr9 h ASN 164 Cb 1.09 -0.22 -0.10 0.00 0.73 0.00 0.00 38.32 39.82 3hr9 h ASN 164 CO 0.55 1.56 0.31 -1.66 -1.29 0.00 0.00 177.43 176.91 3hr9 s TRP 165 N -2.52 -0.34 -0.01 0.67 1.48 -1.24 -4.21 118.94 112.77 3hr9 s TRP 165 Ca -0.11 0.07 0.02 0.00 -1.06 0.00 0.00 56.10 55.01 3hr9 s TRP 165 Cb 0.02 0.61 -0.00 0.00 -1.16 0.00 0.00 33.47 32.94 3hr9 s TRP 165 CO 0.89 -0.89 -0.05 0.08 -4.06 0.00 0.00 176.95 172.92 3hr9 s VAL 166 N -3.60 0.43 -0.08 -0.66 1.01 -0.63 -1.27 120.40 115.61 3hr9 s VAL 166 Ca 0.06 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.84 3hr9 s VAL 166 Cb -0.02 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 36.00 3hr9 s VAL 166 CO -0.05 0.12 -0.16 -0.54 0.00 0.00 0.00 175.10 174.48 3hr9 s LYS 167 N -0.09 2.10 -0.08 2.72 1.02 0.03 -0.88 119.74 124.56 3hr9 s LYS 167 Ca 0.02 -0.55 0.05 0.00 0.02 0.00 0.00 55.97 55.51 3hr9 s LYS 167 Cb -0.03 -1.67 -0.01 0.00 -0.52 0.00 0.00 37.83 35.61 3hr9 s LYS 167 CO -0.00 0.07 -0.24 0.08 -0.92 0.00 0.00 175.35 174.33 3hr9 s VAL 168 N 0.59 2.04 -0.03 3.17 1.01 -0.45 -0.74 120.40 125.99 3hr9 s VAL 168 Ca -0.15 -1.03 0.07 0.00 0.00 0.00 0.00 61.98 60.86 3hr9 s VAL 168 Cb -0.16 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3hr9 s VAL 168 CO 0.05 0.56 -0.24 -0.31 0.00 0.00 0.00 175.10 175.16 3hr9 s TYR 169 N 0.08 2.41 0.44 5.22 2.02 0.30 -0.18 117.35 127.63 3hr9 s TYR 169 Ca -0.11 -0.42 -0.19 0.00 -0.37 0.00 0.00 57.07 55.98 3hr9 s TYR 169 Cb -0.16 -1.53 -0.10 0.00 -0.40 0.00 0.00 41.96 39.77 3hr9 s TYR 169 CO 0.06 -0.02 0.94 0.15 -1.57 0.00 0.00 175.55 175.11 3hr9 s LYS 170 N -0.58 4.13 -0.43 -0.62 1.02 0.06 -1.77 119.74 121.55 3hr9 s LYS 170 Ca 0.09 1.02 -0.27 0.00 0.02 0.00 0.00 55.97 56.83 3hr9 s LYS 170 Cb -0.10 -2.20 0.02 0.00 -0.52 0.00 0.00 37.83 35.03 3hr9 s LYS 170 CO -0.00 -0.07 1.02 -0.47 -0.92 0.00 0.00 175.35 174.91 3hr9 s TYR 171 N -2.28 2.94 -0.52 3.18 6.04 -1.26 -1.60 117.35 123.85 3hr9 s TYR 171 Ca 0.60 0.68 0.06 0.00 0.04 0.00 0.00 57.07 58.45 3hr9 s TYR 171 Cb -0.09 -4.05 0.21 0.00 -1.04 0.00 0.00 41.96 36.99 3hr9 s TYR 171 CO 0.18 -1.07 0.51 0.25 -1.54 0.00 0.00 175.55 173.88 3hr9 n THR 172 N 6.43 0.28 -1.68 4.34 -2.24 0.55 -4.97 114.28 116.99 3hr9 n THR 172 Ca 0.09 -4.27 -0.55 0.00 -2.27 0.00 0.00 64.05 57.05 3hr9 n THR 172 Cb 0.48 -1.94 -0.07 0.00 -2.10 0.00 0.00 70.33 66.70 3hr9 n THR 172 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3hr9 n PRO 173 N 1.85 1.29 -0.84 -0.78 -0.04 -1.22 -0.93 135.00 134.33 3hr9 n PRO 173 Ca 0.25 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 3hr9 n PRO 173 Cb 0.45 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 3hr9 n PRO 173 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hr9 n GLY 174 N 3.82 0.40 0.29 0.55 0.00 -1.19 -4.83 105.19 104.23 3hr9 n GLY 174 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.30 3hr9 n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hr9 n GLN 175 N -1.62 0.09 -1.97 1.61 1.13 -0.11 -4.72 117.38 111.79 3hr9 n GLN 175 Ca 0.00 -0.92 -0.28 0.00 -1.94 0.00 0.00 57.00 53.86 3hr9 n GLN 175 Cb 0.09 -1.13 0.19 0.00 0.11 0.00 0.00 30.24 29.50 3hr9 n GLN 175 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hr9 n GLY 176 N 0.42 -1.21 3.77 1.08 0.00 0.74 -4.90 105.19 105.10 3hr9 n GLY 176 Ca 0.04 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 3hr9 n GLY 176 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hr9 s GLU 177 N -5.76 3.99 -0.27 1.61 2.02 -1.26 -1.29 118.70 117.74 3hr9 s GLU 177 Ca 0.73 2.49 0.00 0.00 0.02 0.00 0.00 54.97 58.22 3hr9 s GLU 177 Cb -0.02 -2.87 0.00 0.00 0.10 0.00 0.00 34.13 31.33 3hr9 s GLU 177 CO 0.51 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.60 3hr9 n GLY 178 N 0.52 0.44 1.84 -1.39 0.00 -1.26 -1.56 105.19 103.78 3hr9 n GLY 178 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3hr9 n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hr9 n GLY 179 N -0.88 0.48 3.48 -0.02 0.00 -0.41 -5.05 105.19 102.79 3hr9 n GLY 179 Ca -0.03 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 3hr9 n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hr9 n SER 180 N 0.96 -2.44 -1.23 1.61 3.41 -0.60 -4.29 113.62 111.04 3hr9 n SER 180 Ca 0.00 -1.13 0.12 0.00 -0.26 0.00 0.00 58.87 57.60 3hr9 n SER 180 Cb 0.00 -1.01 0.26 0.00 -0.26 0.00 0.00 64.21 63.19 3hr9 n SER 180 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hr9 n ASP 181 N -5.04 3.66 -4.15 4.04 10.43 -1.26 -0.18 116.55 124.04 3hr9 n ASP 181 Ca 0.15 -1.99 -0.16 0.00 2.57 0.00 0.00 54.79 55.35 3hr9 n ASP 181 Cb 0.60 -0.34 -0.12 0.00 1.84 0.00 0.00 41.12 43.10 3hr9 n ASP 181 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 3hr9 s PHE 182 N -1.28 1.06 -0.07 1.24 0.40 -1.26 -0.33 117.98 117.75 3hr9 s PHE 182 Ca 0.42 -0.50 -0.00 0.00 -0.60 0.00 0.00 56.93 56.25 3hr9 s PHE 182 Cb 0.24 -0.60 0.02 0.00 0.51 0.00 0.00 43.02 43.19 3hr9 s PHE 182 CO 0.32 0.02 -0.03 0.99 0.70 0.00 0.00 175.22 177.21 3hr9 s THR 183 N -1.51 0.56 0.13 0.64 2.01 -0.63 -4.15 115.64 112.69 3hr9 s THR 183 Ca -0.02 -0.06 -0.35 0.00 0.31 0.00 0.00 61.69 61.57 3hr9 s THR 183 Cb -0.09 -0.64 -0.16 0.00 0.01 0.00 0.00 72.50 71.63 3hr9 s THR 183 CO 0.01 0.27 1.35 -0.11 -0.69 0.00 0.00 174.62 175.46 3hr9 n LEU 184 N 4.63 2.03 -0.11 4.42 7.94 -1.26 -0.76 117.00 133.89 3hr9 n LEU 184 Ca -0.15 1.12 -0.22 0.00 -1.11 0.00 0.00 56.01 55.64 3hr9 n LEU 184 Cb 0.50 -1.26 -0.07 0.00 0.53 0.00 0.00 43.42 43.12 3hr9 n LEU 184 CO 0.17 -0.90 -1.19 -0.67 -1.11 0.00 0.00 177.39 173.69 3hr9 n ASP 185 N 2.56 1.64 -3.50 1.96 2.03 0.75 -4.78 116.55 117.21 3hr9 n ASP 185 Ca 0.17 0.28 -0.13 0.00 0.52 0.00 0.00 54.79 55.63 3hr9 n ASP 185 Cb 0.23 -0.67 -0.04 0.00 -0.72 0.00 0.00 41.12 39.92 3hr9 n ASP 185 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 3hr9 s TRP 186 N -2.47 -0.48 0.01 -0.67 1.48 -0.87 -5.03 118.94 110.91 3hr9 s TRP 186 Ca -0.31 0.40 0.04 0.00 -1.06 0.00 0.00 56.10 55.17 3hr9 s TRP 186 Cb 0.11 0.45 -0.01 0.00 -1.16 0.00 0.00 33.47 32.86 3hr9 s TRP 186 CO 0.40 -0.75 -0.13 0.99 -4.06 0.00 0.00 176.95 173.39 3hr9 s THR 187 N -3.16 1.06 -0.19 0.66 2.01 -1.26 -1.34 115.64 113.42 3hr9 s THR 187 Ca -0.02 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.25 3hr9 s THR 187 Cb -0.00 -0.92 0.04 0.00 0.01 0.00 0.00 72.50 71.63 3hr9 s THR 187 CO -0.08 0.17 -0.10 -0.62 -0.69 0.00 0.00 174.62 173.30 3hr9 s ASP 188 N -0.66 3.32 0.00 3.53 -1.08 -0.06 -4.99 116.67 116.73 3hr9 s ASP 188 Ca 0.04 -0.85 0.29 0.00 -0.52 0.00 0.00 52.55 51.51 3hr9 s ASP 188 Cb -0.06 -1.21 1.36 0.00 -1.46 0.00 0.00 42.92 41.55 3hr9 s ASP 188 CO 0.00 -0.14 1.92 0.59 0.52 0.00 0.00 175.17 178.06 3hr9 n ASN 189 N 4.70 0.77 -3.45 -0.34 3.02 -1.26 -1.60 115.26 117.10 3hr9 n ASN 189 Ca -0.15 -1.12 -0.24 0.00 -0.03 0.00 0.00 54.58 53.04 3hr9 n ASN 189 Cb 0.47 -0.01 0.06 0.00 -0.61 0.00 0.00 39.78 39.69 3hr9 n ASN 189 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3hr9 n PHE 190 N -0.48 -2.56 0.25 3.10 3.01 -1.26 -4.59 117.46 114.94 3hr9 n PHE 190 Ca 0.19 0.85 0.14 0.00 1.01 0.00 0.00 57.45 59.65 3hr9 n PHE 190 Cb 0.26 -4.75 0.57 0.00 -0.01 0.00 0.00 39.48 35.54 3hr9 n PHE 190 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3hr9 h ASP 191 N -2.24 0.00 -5.40 4.37 3.45 -1.91 -3.15 116.42 111.54 3hr9 h ASP 191 Ca -0.56 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 56.72 3hr9 h ASP 191 Cb 1.37 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 40.05 3hr9 h ASP 191 CO 0.57 0.09 -0.17 0.42 -1.57 0.00 0.00 179.24 178.59 3hr9 s THR 192 N -3.65 0.00 -0.33 0.35 -4.23 -1.26 -4.70 115.64 101.81 3hr9 s THR 192 Ca 0.01 -1.53 -0.17 0.00 -1.18 0.00 0.00 61.69 58.82 3hr9 s THR 192 Cb 0.09 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 3hr9 s THR 192 CO 0.59 0.00 0.48 0.12 -0.54 0.00 0.00 174.62 175.27 3hr9 s PHE 193 N -3.43 3.20 -0.70 3.99 5.36 -1.26 -5.01 117.98 120.12 3hr9 s PHE 193 Ca 0.27 0.22 -0.19 0.00 -0.96 0.00 0.00 56.93 56.27 3hr9 s PHE 193 Cb -0.00 -2.84 0.11 0.00 -0.34 0.00 0.00 43.02 39.95 3hr9 s PHE 193 CO 0.15 -0.47 0.86 0.34 -1.46 0.00 0.00 175.22 174.64 3hr9 s ASP 194 N 1.72 6.33 0.00 6.13 2.15 -1.26 -4.89 116.67 126.86 3hr9 s ASP 194 Ca 0.18 -1.59 0.10 0.00 0.43 0.00 0.00 52.55 51.66 3hr9 s ASP 194 Cb -0.16 -2.34 0.45 0.00 -0.30 0.00 0.00 42.92 40.57 3hr9 s ASP 194 CO 0.12 -1.13 1.28 0.61 -0.17 0.00 0.00 175.17 175.89 3hr9 n GLY 195 N 5.22 -0.76 0.04 2.66 0.00 -1.26 -1.03 105.19 110.05 3hr9 n GLY 195 Ca 0.01 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3hr9 n GLY 195 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hr9 n SER 196 N -1.43 0.57 -0.04 1.61 3.41 -1.26 -4.26 113.62 112.22 3hr9 n SER 196 Ca 0.03 0.13 -0.06 0.00 -0.26 0.00 0.00 58.87 58.72 3hr9 n SER 196 Cb 0.10 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 3hr9 n SER 196 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3hr9 n ARG 197 N -1.89 0.85 -4.39 4.33 3.00 -0.43 -4.93 116.66 113.21 3hr9 n ARG 197 Ca 0.05 0.04 -0.27 0.00 -0.00 0.00 0.00 57.85 57.67 3hr9 n ARG 197 Cb 0.40 -1.18 -0.11 0.00 0.00 0.00 0.00 32.46 31.57 3hr9 n ARG 197 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 3hr9 s TRP 198 N -2.18 2.39 0.29 -0.14 0.52 -0.20 -1.20 118.94 118.42 3hr9 s TRP 198 Ca -0.10 -0.32 0.10 0.00 0.02 0.00 0.00 56.10 55.80 3hr9 s TRP 198 Cb 0.03 -1.17 -0.05 0.00 -1.15 0.00 0.00 33.47 31.13 3hr9 s TRP 198 CO 0.23 0.52 -0.08 0.20 0.02 0.00 0.00 176.95 177.83 3hr9 s GLY 199 N -2.76 1.88 -0.17 0.98 0.00 0.70 -4.49 107.32 103.45 3hr9 s GLY 199 Ca 0.22 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 43.10 3hr9 s GLY 199 CO 0.12 -1.88 -0.17 0.54 0.00 0.00 0.00 173.10 171.71 3hr9 s LYS 200 N -3.62 3.11 0.42 2.90 1.02 -1.26 -1.88 119.74 120.43 3hr9 s LYS 200 Ca 0.32 -0.78 -0.25 0.00 0.02 0.00 0.00 55.97 55.27 3hr9 s LYS 200 Cb -0.04 -2.62 -0.08 0.00 -0.52 0.00 0.00 37.83 34.57 3hr9 s LYS 200 CO 0.18 -0.11 1.22 0.20 -0.92 0.00 0.00 175.35 175.91 3hr9 s GLY 201 N 1.10 2.87 -0.41 -3.33 0.00 0.67 -4.72 107.32 103.50 3hr9 s GLY 201 Ca 0.00 1.06 0.05 0.00 0.00 0.00 0.00 44.72 45.83 3hr9 s GLY 201 CO -0.06 1.58 0.42 1.22 0.00 0.00 0.00 173.10 176.26 3hr9 n ASP 202 N -0.03 -0.58 -2.62 1.64 9.92 -1.25 -2.88 116.55 120.75 3hr9 n ASP 202 Ca 0.05 -2.50 -0.02 0.00 -0.53 0.00 0.00 54.79 51.78 3hr9 n ASP 202 Cb 0.46 -0.38 0.02 0.00 -0.64 0.00 0.00 41.12 40.58 3hr9 n ASP 202 CO 0.00 0.00 0.00 -2.67 0.13 0.00 0.00 177.20 174.66 3hr9 n TRP 203 N 2.48 -1.16 -3.98 1.24 2.14 -1.10 -4.98 117.44 112.09 3hr9 n TRP 203 Ca 0.27 -0.92 -0.13 0.00 2.07 0.00 0.00 57.50 58.79 3hr9 n TRP 203 Cb 0.50 0.45 -0.02 0.00 -0.81 0.00 0.00 31.31 31.43 3hr9 n TRP 203 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 3hr9 n THR 204 N -0.51 0.00 -3.69 -1.67 5.66 -1.26 -0.76 114.28 112.05 3hr9 n THR 204 Ca -0.02 -1.53 -0.10 0.00 -3.05 0.00 0.00 64.05 59.35 3hr9 n THR 204 Cb 0.41 0.99 -0.04 0.00 -1.55 0.00 0.00 70.33 70.14 3hr9 n THR 204 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 3hr9 s PHE 205 N -3.05 -0.14 0.31 1.09 -0.12 -1.26 -5.06 117.98 109.75 3hr9 s PHE 205 Ca 0.25 -0.19 -0.29 0.00 -0.05 0.00 0.00 56.93 56.65 3hr9 s PHE 205 Cb -0.01 0.28 -0.11 0.00 -0.63 0.00 0.00 43.02 42.55 3hr9 s PHE 205 CO 0.18 -0.77 1.48 -0.51 -0.05 0.00 0.00 175.22 175.55 3hr9 s ASP 206 N -2.84 6.50 0.00 1.98 -0.00 -1.26 -2.02 116.67 119.03 3hr9 s ASP 206 Ca 0.06 2.86 0.00 0.00 -0.00 0.00 0.00 52.55 55.47 3hr9 s ASP 206 Cb 0.01 -2.64 0.00 0.00 -0.00 0.00 0.00 42.92 40.29 3hr9 s ASP 206 CO -0.08 -0.79 0.00 0.61 -0.00 0.00 0.00 175.17 174.91 3hr9 n GLY 207 N 1.55 0.71 3.48 0.21 0.00 -1.26 -5.03 105.19 104.85 3hr9 n GLY 207 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3hr9 n GLY 207 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hr9 s ASN 208 N -2.57 5.23 0.00 1.61 3.84 -0.86 -0.55 114.94 121.65 3hr9 s ASN 208 Ca 0.00 -0.15 0.16 0.00 0.21 0.00 0.00 52.86 53.07 3hr9 s ASN 208 Cb 0.00 -1.93 0.64 0.00 -0.55 0.00 0.00 41.25 39.40 3hr9 s ASN 208 CO 0.00 0.00 1.45 -2.11 -2.79 0.00 0.00 177.10 173.66 3hr9 n ARG 209 N 4.68 1.53 -4.42 0.43 1.85 -0.63 -4.72 116.66 115.39 3hr9 n ARG 209 Ca -0.16 -0.81 -0.26 0.00 -1.00 0.00 0.00 57.85 55.62 3hr9 n ARG 209 Cb 0.52 -1.30 -0.11 0.00 -1.05 0.00 0.00 32.46 30.51 3hr9 n ARG 209 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3hr9 s VAL 210 N -1.79 2.51 -0.23 8.89 -7.23 -1.26 -3.77 120.40 117.52 3hr9 s VAL 210 Ca 0.26 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 58.18 3hr9 s VAL 210 Cb 0.13 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 3hr9 s VAL 210 CO 0.20 -0.22 0.28 -1.81 -0.31 0.00 0.00 175.10 173.24 3hr9 s ASP 211 N -2.99 6.25 0.15 4.85 -0.00 -0.22 -4.70 116.67 120.01 3hr9 s ASP 211 Ca 0.24 0.28 -0.30 0.00 -0.00 0.00 0.00 52.55 52.77 3hr9 s ASP 211 Cb -0.07 -2.17 -0.07 0.00 -0.00 0.00 0.00 42.92 40.61 3hr9 s ASP 211 CO 0.12 -0.02 1.17 -0.76 -0.00 0.00 0.00 175.17 175.68 3hr9 s LEU 212 N 1.31 4.44 0.01 1.23 1.43 0.06 -0.98 118.68 126.18 3hr9 s LEU 212 Ca 0.13 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 3hr9 s LEU 212 Cb -0.14 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.47 3hr9 s LEU 212 CO 0.07 -0.35 -0.02 0.28 0.23 0.00 0.00 176.35 176.55 3hr9 s THR 213 N 0.21 0.10 -0.58 5.49 -1.32 -0.34 -2.72 115.64 116.49 3hr9 s THR 213 Ca 0.53 -0.59 0.21 0.00 -1.21 0.00 0.00 61.69 60.63 3hr9 s THR 213 Cb -0.31 -0.20 0.21 0.00 -1.51 0.00 0.00 72.50 70.70 3hr9 s THR 213 CO 0.34 -0.31 1.64 -0.90 -2.21 0.00 0.00 174.62 173.18 3hr9 n ASP 214 N 2.13 0.50 0.25 8.08 3.85 -1.21 -1.86 116.55 128.29 3hr9 n ASP 214 Ca -0.20 0.63 0.12 0.00 -0.71 0.00 0.00 54.79 54.64 3hr9 n ASP 214 Cb 0.57 -0.74 0.64 0.00 -1.35 0.00 0.00 41.12 40.24 3hr9 n ASP 214 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 3hr9 h LYS 215 N 0.00 0.00 -0.78 0.11 1.57 -1.91 -3.12 116.57 112.43 3hr9 h LYS 215 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 3hr9 h LYS 215 Cb 0.30 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.45 3hr9 h LYS 215 CO 0.00 0.15 0.33 0.09 -0.57 0.00 0.00 179.45 179.45 3hr9 n ASN 216 N -3.47 4.66 -4.18 0.86 3.02 -0.78 -4.81 115.26 110.56 3hr9 n ASN 216 Ca -0.01 -3.30 -0.33 0.00 -0.03 0.00 0.00 54.58 50.91 3hr9 n ASN 216 Cb 0.31 -0.76 -0.15 0.00 -0.61 0.00 0.00 39.78 38.57 3hr9 n ASN 216 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hr9 s ILE 217 N -3.05 2.44 0.17 2.41 1.01 -1.18 -0.91 121.20 122.08 3hr9 s ILE 217 Ca 0.56 -0.82 0.10 0.00 0.00 0.00 0.00 60.65 60.49 3hr9 s ILE 217 Cb 0.45 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3hr9 s ILE 217 CO 0.13 0.51 -0.21 -0.31 0.00 0.00 0.00 174.94 175.06 3hr9 s TYR 218 N 1.26 2.03 -0.15 3.97 1.51 0.24 -4.96 117.35 121.25 3hr9 s TYR 218 Ca 0.03 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 3hr9 s TYR 218 Cb -0.14 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.70 3hr9 s TYR 218 CO -0.09 0.38 -0.18 -1.54 -1.11 0.00 0.00 175.55 173.01 3hr9 s SER 219 N -2.53 2.92 -0.22 2.29 1.04 -1.26 0.48 113.70 116.43 3hr9 s SER 219 Ca 0.16 -0.57 -0.16 0.00 0.48 0.00 0.00 55.95 55.86 3hr9 s SER 219 Cb -0.07 -1.34 0.06 0.00 0.10 0.00 0.00 66.02 64.77 3hr9 s SER 219 CO 0.07 0.00 0.56 -0.60 0.98 0.00 0.00 173.24 174.25 3hr9 s ARG 220 N 1.22 0.61 -1.58 4.02 3.52 -0.29 -4.97 118.95 121.47 3hr9 s ARG 220 Ca 0.01 0.90 -0.12 0.00 -0.13 0.00 0.00 55.73 56.39 3hr9 s ARG 220 Cb -0.14 0.19 0.10 0.00 -1.56 0.00 0.00 34.95 33.54 3hr9 s ARG 220 CO -0.09 -0.12 0.70 -0.25 -0.81 0.00 0.00 175.30 174.73 3hr9 n ASP 221 N 3.54 -2.55 -0.02 -2.12 10.43 -1.26 -1.21 116.55 123.36 3hr9 n ASP 221 Ca -0.18 -0.98 -0.00 0.00 2.57 0.00 0.00 54.79 56.20 3hr9 n ASP 221 Cb 0.57 -3.02 -0.00 0.00 1.84 0.00 0.00 41.12 40.51 3hr9 n ASP 221 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hr9 n GLY 222 N -1.63 0.47 3.19 0.44 0.00 -1.26 -5.02 105.19 101.37 3hr9 n GLY 222 Ca -0.06 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 3hr9 n GLY 222 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hr9 s MET 223 N -0.57 0.88 -0.19 1.61 -1.94 -0.35 -4.52 119.30 114.22 3hr9 s MET 223 Ca 0.00 -1.10 -0.08 0.00 -1.71 0.00 0.00 55.69 52.79 3hr9 s MET 223 Cb 0.00 -0.74 -0.04 0.00 2.01 0.00 0.00 34.83 36.06 3hr9 s MET 223 CO 0.00 0.14 0.08 -1.17 -0.01 0.00 0.00 175.02 174.07 3hr9 s LEU 224 N -2.19 3.92 -0.12 -0.03 1.98 -0.31 -1.14 118.68 120.79 3hr9 s LEU 224 Ca 0.04 0.11 0.00 0.00 -2.89 0.00 0.00 54.13 51.39 3hr9 s LEU 224 Cb -0.06 -2.00 -0.01 0.00 0.66 0.00 0.00 46.19 44.77 3hr9 s LEU 224 CO 0.02 0.16 -0.14 -0.63 -1.89 0.00 0.00 176.35 173.87 3hr9 s ILE 225 N 0.45 2.99 -0.16 6.68 1.01 0.18 -0.85 121.20 131.50 3hr9 s ILE 225 Ca 0.05 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 3hr9 s ILE 225 Cb -0.12 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 3hr9 s ILE 225 CO 0.00 0.53 0.03 -0.76 0.00 0.00 0.00 174.94 174.75 3hr9 s LEU 226 N 0.25 3.67 0.13 2.97 1.43 -0.23 -0.60 118.68 126.30 3hr9 s LEU 226 Ca -0.10 0.05 0.10 0.00 -1.03 0.00 0.00 54.13 53.15 3hr9 s LEU 226 Cb -0.16 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 3hr9 s LEU 226 CO 0.05 0.20 -0.21 0.00 0.23 0.00 0.00 176.35 176.63 3hr9 s ALA 227 N 0.18 2.58 -0.23 4.21 0.00 -0.09 -1.10 121.76 127.31 3hr9 s ALA 227 Ca 0.03 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 50.59 3hr9 s ALA 227 Cb -0.13 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.50 3hr9 s ALA 227 CO 0.01 0.56 -0.14 -1.17 0.00 0.00 0.00 175.76 175.02 3hr9 s LEU 228 N -2.17 2.95 0.25 0.00 0.20 -0.11 -3.80 118.68 115.99 3hr9 s LEU 228 Ca 0.17 -1.13 0.01 0.00 0.69 0.00 0.00 54.13 53.87 3hr9 s LEU 228 Cb -0.10 -1.50 -0.05 0.00 -0.43 0.00 0.00 46.19 44.11 3hr9 s LEU 228 CO 0.09 -0.13 0.11 0.42 -0.29 0.00 0.00 176.35 176.55 3hr9 s THR 229 N 1.18 0.39 0.49 3.68 -4.23 0.07 -1.75 115.64 115.47 3hr9 s THR 229 Ca -0.04 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.27 3hr9 s THR 229 Cb -0.18 -2.59 -0.08 0.00 1.34 0.00 0.00 72.50 70.99 3hr9 s THR 229 CO -0.08 0.00 1.04 -0.13 -0.54 0.00 0.00 174.62 174.91 3hr9 s ARG 230 N -4.05 3.79 0.31 3.99 0.52 -1.26 -0.73 118.95 121.51 3hr9 s ARG 230 Ca 0.38 1.34 -0.29 0.00 -0.52 0.00 0.00 55.73 56.63 3hr9 s ARG 230 Cb 0.07 -2.09 -0.11 0.00 0.52 0.00 0.00 34.95 33.34 3hr9 s ARG 230 CO 0.13 -0.44 1.52 0.21 0.02 0.00 0.00 175.30 176.75 3hr9 s LYS 231 N -3.29 4.15 0.00 3.54 2.47 -0.60 -1.29 119.74 124.72 3hr9 s LYS 231 Ca 0.67 2.52 0.00 0.00 -1.56 0.00 0.00 55.97 57.59 3hr9 s LYS 231 Cb -0.16 -3.02 0.00 0.00 -1.46 0.00 0.00 37.83 33.19 3hr9 s LYS 231 CO 0.21 -0.55 0.00 0.41 0.16 0.00 0.00 175.35 175.58 3hr9 n GLY 232 N 1.57 1.52 1.10 5.54 0.00 -1.26 -4.86 105.19 108.79 3hr9 n GLY 232 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3hr9 n GLY 232 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hr9 n GLN 233 N -2.00 2.17 -2.23 1.61 6.02 -0.42 -5.01 117.38 117.52 3hr9 n GLN 233 Ca 0.00 -3.51 -0.39 0.00 -0.01 0.00 0.00 57.00 53.10 3hr9 n GLN 233 Cb 0.00 -1.84 -0.03 0.00 1.02 0.00 0.00 30.24 29.39 3hr9 n GLN 233 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3hr9 s GLU 234 N -3.35 2.85 0.10 -1.09 8.01 -1.26 -4.68 118.70 119.29 3hr9 s GLU 234 Ca 0.43 0.19 -0.25 0.00 0.01 0.00 0.00 54.97 55.35 3hr9 s GLU 234 Cb 0.39 -4.41 0.08 0.00 -4.31 0.00 0.00 34.13 25.88 3hr9 s GLU 234 CO -0.03 -2.57 0.68 -1.54 0.01 0.00 0.00 175.26 171.82 3hr9 s SER 235 N 6.53 -0.52 -0.13 -0.19 1.04 -1.26 -4.99 113.70 114.17 3hr9 s SER 235 Ca 0.56 0.04 -0.02 0.00 0.48 0.00 0.00 55.95 57.01 3hr9 s SER 235 Cb -0.10 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.60 3hr9 s SER 235 CO 0.16 -0.85 0.02 0.12 0.98 0.00 0.00 173.24 173.66 3hr9 s PHE 236 N -3.42 0.81 0.00 5.02 5.36 -1.26 -4.99 117.98 119.50 3hr9 s PHE 236 Ca 0.01 -0.48 0.00 0.00 -0.96 0.00 0.00 56.93 55.50 3hr9 s PHE 236 Cb -0.01 -0.90 0.00 0.00 -0.34 0.00 0.00 43.02 41.77 3hr9 s PHE 236 CO -0.11 -0.47 0.00 0.09 -1.46 0.00 0.00 175.22 173.28 3hr9 n ASN 237 N 5.11 3.05 -3.06 6.13 3.02 -1.26 -5.08 115.26 123.17 3hr9 n ASN 237 Ca -0.08 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 3hr9 n ASN 237 Cb 0.49 0.76 0.00 0.00 -0.61 0.00 0.00 39.78 40.41 3hr9 n ASN 237 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hr9 n GLY 238 N 1.67 -2.33 3.62 7.41 0.00 -1.26 -4.98 105.19 109.33 3hr9 n GLY 238 Ca 0.00 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 3hr9 n GLY 238 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hr9 s GLN 239 N -1.46 3.98 -0.04 1.61 -0.21 -1.26 -5.06 119.66 117.22 3hr9 s GLN 239 Ca 0.00 -0.33 -0.30 0.00 0.02 0.00 0.00 55.36 54.75 3hr9 s GLN 239 Cb 0.00 -3.36 -0.05 0.00 1.00 0.00 0.00 33.01 30.61 3hr9 s GLN 239 CO 0.00 0.14 1.40 0.08 -2.12 0.00 0.00 175.29 174.79 3hr9 s VAL 240 N 0.78 3.81 0.85 1.09 1.01 -1.26 -4.97 120.40 121.70 3hr9 s VAL 240 Ca 0.05 1.14 -0.11 0.00 0.00 0.00 0.00 61.98 63.06 3hr9 s VAL 240 Cb -0.13 -3.73 0.10 0.00 0.00 0.00 0.00 36.38 32.62 3hr9 s VAL 240 CO 0.02 -0.03 1.15 -2.16 0.00 0.00 0.00 175.10 174.08 3hr9 s PRO 241 N 2.78 1.51 -0.03 2.72 0.04 -1.26 -5.00 135.00 135.76 3hr9 s PRO 241 Ca 0.63 1.53 -0.13 0.00 0.04 0.00 0.00 61.00 63.07 3hr9 s PRO 241 Cb -0.30 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 3hr9 s PRO 241 CO 0.25 -2.27 0.35 0.50 0.04 0.00 0.00 177.00 175.87 3hr9 s ARG 242 N -4.53 3.82 0.00 4.56 3.52 -1.26 -5.08 118.95 119.98 3hr9 s ARG 242 Ca 0.67 0.29 0.25 0.00 -0.13 0.00 0.00 55.73 56.82 3hr9 s ARG 242 Cb -0.23 -3.22 0.38 0.00 -1.56 0.00 0.00 34.95 30.32 3hr9 s ARG 242 CO 0.55 0.70 1.37 -3.47 -0.81 0.00 0.00 175.30 173.64