#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h90 s VAL 9 N 0.00 1.94 0.00 1.47 1.01 -1.26 -5.10 120.40 118.46 3h90 s VAL 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3h90 s VAL 9 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.60 3h90 s VAL 9 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.10 173.56 3h90 n SER 10 N -3.87 0.00 -1.34 3.32 3.41 -1.26 -4.94 113.62 108.95 3h90 n SER 10 Ca 0.09 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.78 3h90 n SER 10 Cb 0.59 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.83 3h90 n SER 10 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h90 n ARG 11 N 0.00 3.20 0.10 4.33 5.12 -1.26 -3.23 116.66 124.92 3h90 n ARG 11 Ca 0.00 -2.30 0.12 0.00 -1.93 0.00 0.00 57.85 53.74 3h90 n ARG 11 Cb 0.00 -1.77 0.45 0.00 -1.16 0.00 0.00 32.46 29.98 3h90 n ARG 11 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h90 n ALA 12 N 0.87 1.83 -0.10 7.54 0.00 -1.26 -3.34 120.51 126.05 3h90 n ALA 12 Ca 0.21 0.03 0.19 0.00 0.00 0.00 0.00 53.44 53.87 3h90 n ALA 12 Cb 0.74 -1.39 0.61 0.00 0.00 0.00 0.00 19.45 19.41 3h90 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h90 h ALA 13 N 2.40 2.35 0.14 0.00 0.00 -1.91 0.28 119.26 122.52 3h90 h ALA 13 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 3h90 h ALA 13 Cb 0.44 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3h90 h ALA 13 CO 0.00 -0.54 -1.57 -0.84 0.00 0.00 0.00 179.25 176.30 3h90 h ILE 14 N 0.20 1.12 -0.05 0.00 3.07 -1.86 -3.15 117.51 116.84 3h90 h ILE 14 Ca 0.33 -2.74 -0.01 0.00 1.55 0.00 0.00 64.86 63.99 3h90 h ILE 14 Cb 1.01 2.78 -0.00 0.00 -0.27 0.00 0.00 36.82 40.34 3h90 h ILE 14 CO -0.06 0.83 -0.02 0.00 -1.05 0.00 0.00 178.15 177.84 3h90 h ALA 15 N 0.40 1.87 0.67 0.16 0.00 -1.56 -2.14 119.26 118.67 3h90 h ALA 15 Ca -0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3h90 h ALA 15 Cb 2.04 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.81 3h90 h ALA 15 CO 0.17 0.10 -0.32 0.00 0.00 0.00 0.00 179.25 179.20 3h90 h ALA 16 N 1.91 -1.13 0.00 0.00 0.00 -1.01 -3.07 119.26 115.96 3h90 h ALA 16 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3h90 h ALA 16 Cb 0.09 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3h90 h ALA 16 CO 0.00 -1.07 0.00 -2.37 0.00 0.00 0.00 179.25 175.82 3h90 n THR 17 N -4.66 1.54 -0.01 0.00 5.66 -1.04 -0.37 114.28 115.40 3h90 n THR 17 Ca -0.11 0.39 -0.13 0.00 -3.05 0.00 0.00 64.05 61.15 3h90 n THR 17 Cb 0.36 -1.33 -0.09 0.00 -1.55 0.00 0.00 70.33 67.72 3h90 n THR 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h90 h ALA 18 N 2.13 0.02 -0.38 1.79 0.00 -1.29 -3.07 119.26 118.46 3h90 h ALA 18 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 3h90 h ALA 18 Cb 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3h90 h ALA 18 CO 0.00 -0.28 -0.27 0.52 0.00 0.00 0.00 179.25 179.22 3h90 h MET 19 N -0.36 0.78 -1.01 0.00 2.86 -0.73 -3.01 114.93 113.47 3h90 h MET 19 Ca 0.00 -0.34 0.27 0.00 -2.06 0.00 0.00 59.70 57.58 3h90 h MET 19 Cb 0.40 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.98 3h90 h MET 19 CO 0.00 0.96 0.70 0.00 1.06 0.00 0.00 176.91 179.63 3h90 h ALA 20 N 1.02 2.67 0.00 6.32 0.00 -1.19 0.94 119.26 129.03 3h90 h ALA 20 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h90 h ALA 20 Cb 0.79 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3h90 h ALA 20 CO 0.07 -0.99 0.00 0.77 0.00 0.00 0.00 179.25 179.09 3h90 h SER 21 N 0.16 0.00 -0.16 0.00 0.02 -1.43 -2.47 113.55 109.67 3h90 h SER 21 Ca 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 3h90 h SER 21 Cb 1.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.26 3h90 h SER 21 CO -0.10 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.77 3h90 n LEU 22 N -2.78 2.28 -0.27 5.07 4.32 0.32 -2.22 117.00 123.73 3h90 n LEU 22 Ca 0.04 -1.15 -0.02 0.00 -0.02 0.00 0.00 56.01 54.86 3h90 n LEU 22 Cb 0.45 -0.55 0.17 0.00 -1.62 0.00 0.00 43.42 41.88 3h90 n LEU 22 CO 0.31 0.35 1.19 0.25 -1.22 0.00 0.00 177.39 178.28 3h90 h LEU 23 N 1.09 0.98 -0.32 2.23 6.46 -1.39 -2.86 115.31 121.50 3h90 h LEU 23 Ca 0.00 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 3h90 h LEU 23 Cb 0.90 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 3h90 h LEU 23 CO 0.13 0.76 0.00 -0.11 -0.62 0.00 0.00 178.44 178.61 3h90 n LEU 24 N -4.37 0.12 0.13 2.25 7.94 -0.94 -0.07 117.00 122.06 3h90 n LEU 24 Ca 0.09 -0.06 -0.21 0.00 -1.11 0.00 0.00 56.01 54.71 3h90 n LEU 24 Cb 0.07 -0.06 -0.15 0.00 0.53 0.00 0.00 43.42 43.82 3h90 n LEU 24 CO 0.38 0.03 -0.14 0.25 -1.11 0.00 0.00 177.39 176.79 3h90 h LEU 25 N 0.20 0.71 0.00 -1.96 5.85 -1.75 -3.11 115.31 115.26 3h90 h LEU 25 Ca 0.00 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 57.98 3h90 h LEU 25 Cb 0.06 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.86 3h90 h LEU 25 CO 0.00 1.57 -0.01 0.16 -0.34 0.00 0.00 178.44 179.83 3h90 h ILE 26 N 0.15 0.00 0.00 4.05 3.07 -0.71 -3.07 117.51 121.00 3h90 h ILE 26 Ca -0.20 -0.98 -0.03 0.00 1.55 0.00 0.00 64.86 65.20 3h90 h ILE 26 Cb 2.06 1.97 -0.00 0.00 -0.27 0.00 0.00 36.82 40.58 3h90 h ILE 26 CO 0.25 0.00 -0.14 0.50 -1.05 0.00 0.00 178.15 177.71 3h90 h LYS 27 N 0.00 0.00 0.00 0.16 3.64 -1.65 0.14 116.57 118.86 3h90 h LYS 27 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3h90 h LYS 27 Cb 0.99 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 3h90 h LYS 27 CO 0.00 0.12 -0.21 0.97 -2.27 0.00 0.00 179.45 178.06 3h90 h ILE 28 N 0.00 0.42 0.00 2.00 -0.00 -1.49 -3.29 117.51 115.15 3h90 h ILE 28 Ca -0.00 -1.32 -0.29 0.00 -0.00 0.00 0.00 64.86 63.25 3h90 h ILE 28 Cb 1.10 1.98 -0.05 0.00 -0.00 0.00 0.00 36.82 39.84 3h90 h ILE 28 CO 0.02 0.21 -1.82 0.33 -0.00 0.00 0.00 178.15 176.88 3h90 n PHE 29 N -3.22 0.80 1.03 2.19 7.35 -1.03 -3.83 117.46 120.75 3h90 n PHE 29 Ca 0.02 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 56.99 3h90 n PHE 29 Cb 0.53 -1.14 0.00 0.00 0.35 0.00 0.00 39.48 39.22 3h90 n PHE 29 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3h90 n ALA 30 N -2.58 2.29 -2.47 3.13 0.00 0.47 -4.63 120.51 116.71 3h90 n ALA 30 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.01 3h90 n ALA 30 Cb 1.05 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 3h90 n ALA 30 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3h90 s TRP 31 N -1.21 3.39 -0.12 0.00 -2.14 -1.25 -4.87 118.94 112.74 3h90 s TRP 31 Ca 0.00 0.35 -0.07 0.00 2.66 0.00 0.00 56.10 59.04 3h90 s TRP 31 Cb 0.00 -2.12 0.05 0.00 -3.10 0.00 0.00 33.47 28.30 3h90 s TRP 31 CO 0.00 -0.13 0.28 -1.58 -2.66 0.00 0.00 176.95 172.86 3h90 s TRP 32 N -2.46 -0.37 -0.04 1.66 0.23 -1.26 -4.97 118.94 111.73 3h90 s TRP 32 Ca 0.44 0.86 -0.04 0.00 -2.03 0.00 0.00 56.10 55.34 3h90 s TRP 32 Cb -0.10 0.09 -0.02 0.00 0.03 0.00 0.00 33.47 33.47 3h90 s TRP 32 CO 0.38 -0.24 -0.09 0.98 0.96 0.00 0.00 176.95 178.94 3h90 n TYR 33 N 4.04 0.00 0.36 -1.98 4.19 -1.25 -4.47 117.16 118.05 3h90 n TYR 33 Ca -0.23 0.00 0.14 0.00 3.31 0.00 0.00 57.90 61.12 3h90 n TYR 33 Cb 0.54 -0.21 0.44 0.00 0.49 0.00 0.00 39.34 40.61 3h90 n TYR 33 CO 0.00 0.00 0.00 1.15 0.91 0.00 0.00 176.86 178.92 3h90 h THR 34 N -0.25 0.00 0.00 2.97 2.02 -1.99 -3.25 112.91 112.41 3h90 h THR 34 Ca -0.12 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.48 3h90 h THR 34 Cb 0.85 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 3h90 h THR 34 CO -0.07 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.43 3h90 n GLY 35 N 0.59 -0.15 3.48 2.16 0.00 -1.26 -4.94 105.19 105.07 3h90 n GLY 35 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3h90 n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h90 s SER 36 N -1.45 4.08 -0.25 1.61 0.01 -1.25 -5.04 113.70 111.40 3h90 s SER 36 Ca 0.00 -0.19 -0.05 0.00 1.31 0.00 0.00 55.95 57.03 3h90 s SER 36 Cb 0.00 -0.90 -0.07 0.00 0.21 0.00 0.00 66.02 65.25 3h90 s SER 36 CO 0.00 0.34 3.09 1.33 0.41 0.00 0.00 173.24 178.41 3h90 n VAL 37 N 2.35 3.14 -2.33 3.43 0.24 -1.23 -3.86 118.33 120.08 3h90 n VAL 37 Ca -0.17 -2.28 -0.25 0.00 -2.04 0.00 0.00 64.34 59.60 3h90 n VAL 37 Cb 0.52 -1.75 0.07 0.00 -1.47 0.00 0.00 33.84 31.21 3h90 n VAL 37 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3h90 s SER 38 N 1.06 4.78 -0.08 -1.34 0.01 -1.26 -5.10 113.70 111.76 3h90 s SER 38 Ca 0.60 0.25 -0.01 0.00 1.31 0.00 0.00 55.95 58.10 3h90 s SER 38 Cb 0.35 -0.89 0.03 0.00 0.21 0.00 0.00 66.02 65.71 3h90 s SER 38 CO -0.12 -1.58 -0.04 -0.63 0.41 0.00 0.00 173.24 171.28 3h90 s ILE 39 N -3.16 0.67 -0.23 1.44 1.09 -1.26 -4.89 121.20 114.86 3h90 s ILE 39 Ca 0.61 -0.08 -0.23 0.00 -1.10 0.00 0.00 60.65 59.85 3h90 s ILE 39 Cb -0.10 -0.75 0.06 0.00 -1.06 0.00 0.00 42.46 40.62 3h90 s ILE 39 CO 0.44 0.30 0.66 -0.22 -0.10 0.00 0.00 174.94 176.01 3h90 s LEU 40 N 1.73 -0.51 0.00 2.97 2.96 -1.26 -5.09 118.68 119.48 3h90 s LEU 40 Ca 0.03 1.26 0.19 0.00 -0.22 0.00 0.00 54.13 55.40 3h90 s LEU 40 Cb -0.13 2.27 0.53 0.00 0.50 0.00 0.00 46.19 49.36 3h90 s LEU 40 CO -0.06 -0.26 1.44 0.00 -1.32 0.00 0.00 176.35 176.15 3h90 n ALA 41 N 2.56 2.44 0.95 5.97 0.00 -1.26 -4.07 120.51 127.10 3h90 n ALA 41 Ca -0.14 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.43 3h90 n ALA 41 Cb 0.56 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3h90 n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h90 n ALA 42 N 1.02 2.00 -0.00 0.00 0.00 -1.26 -1.80 120.51 120.47 3h90 n ALA 42 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.58 3h90 n ALA 42 Cb 0.47 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 3h90 n ALA 42 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3h90 n LEU 43 N -0.25 0.78 0.08 0.00 -0.00 -1.26 -3.96 117.00 112.38 3h90 n LEU 43 Ca 0.00 0.36 -0.12 0.00 -0.00 0.00 0.00 56.01 56.24 3h90 n LEU 43 Cb 0.05 0.15 -0.05 0.00 -0.00 0.00 0.00 43.42 43.57 3h90 n LEU 43 CO 0.00 0.28 0.17 0.58 -0.00 0.00 0.00 177.39 178.42 3h90 h VAL 44 N 0.00 1.44 -0.70 1.47 2.07 -1.69 -2.48 116.25 116.37 3h90 h VAL 44 Ca -0.25 -2.58 0.14 0.00 0.82 0.00 0.00 66.70 64.84 3h90 h VAL 44 Cb 1.82 2.50 -0.10 0.00 -1.52 0.00 0.00 31.29 33.99 3h90 h VAL 44 CO 0.06 0.76 0.17 -0.78 0.02 0.00 0.00 177.57 177.80 3h90 h ASP 45 N 0.18 0.03 1.11 0.57 3.58 -1.68 0.33 116.42 120.53 3h90 h ASP 45 Ca -0.08 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.51 3h90 h ASP 45 Cb 1.61 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.84 3h90 h ASP 45 CO 0.16 -0.01 -0.60 0.77 -2.88 0.00 0.00 179.24 176.68 3h90 h SER 46 N 0.28 0.00 0.03 2.28 4.64 -1.68 -2.61 113.55 116.48 3h90 h SER 46 Ca 0.38 -0.10 -0.16 0.00 -0.47 0.00 0.00 61.79 61.44 3h90 h SER 46 Cb 0.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3h90 h SER 46 CO -0.47 0.05 -0.54 0.25 -0.87 0.00 0.00 176.83 175.25 3h90 h LEU 47 N 0.00 0.61 0.57 5.97 5.85 -0.72 -1.44 115.31 126.15 3h90 h LEU 47 Ca 0.00 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 3h90 h LEU 47 Cb 0.85 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.72 3h90 h LEU 47 CO 0.00 1.03 -0.27 0.58 -0.34 0.00 0.00 178.44 179.44 3h90 h VAL 48 N 0.43 0.44 -0.99 1.05 2.07 -0.39 -3.16 116.25 115.69 3h90 h VAL 48 Ca 0.01 -0.01 0.18 0.00 0.82 0.00 0.00 66.70 67.69 3h90 h VAL 48 Cb 1.08 0.44 -0.10 0.00 -1.52 0.00 0.00 31.29 31.19 3h90 h VAL 48 CO 0.10 0.00 0.60 0.44 0.02 0.00 0.00 177.57 178.73 3h90 h ASP 49 N -0.78 0.78 -0.34 0.57 5.19 -1.30 0.54 116.42 121.09 3h90 h ASP 49 Ca -0.08 0.09 0.01 0.00 -0.62 0.00 0.00 57.03 56.43 3h90 h ASP 49 Cb 0.59 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.03 3h90 h ASP 49 CO 0.13 0.30 0.22 -0.29 -3.12 0.00 0.00 179.24 176.48 3h90 h ILE 50 N 0.79 1.08 0.18 0.35 2.10 -1.27 0.31 117.51 121.04 3h90 h ILE 50 Ca 0.56 -0.15 -0.01 0.00 1.08 0.00 0.00 64.86 66.33 3h90 h ILE 50 Cb 0.81 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 37.14 3h90 h ILE 50 CO -0.36 0.08 -0.09 1.23 -1.08 0.00 0.00 178.15 177.93 3h90 h GLY 51 N 0.45 -0.26 -0.07 8.18 0.00 -1.06 -2.23 103.07 108.08 3h90 h GLY 51 Ca 0.13 0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.60 3h90 h GLY 51 CO -0.03 -0.09 -0.41 0.00 0.00 0.00 0.00 176.54 176.01 3h90 h ALA 52 N -0.02 -0.51 0.00 3.60 0.00 0.08 -0.85 119.26 121.56 3h90 h ALA 52 Ca -0.03 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3h90 h ALA 52 Cb 0.49 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3h90 h ALA 52 CO 0.04 -0.89 -0.46 0.77 0.00 0.00 0.00 179.25 178.72 3h90 h SER 53 N -0.43 0.00 -0.56 0.00 0.02 -0.50 -2.48 113.55 109.61 3h90 h SER 53 Ca 0.10 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3h90 h SER 53 Cb 0.60 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 3h90 h SER 53 CO -0.45 0.46 0.16 0.25 -1.14 0.00 0.00 176.83 176.10 3h90 h LEU 54 N 0.00 0.83 -0.15 5.07 5.85 -0.85 -1.93 115.31 124.13 3h90 h LEU 54 Ca -0.00 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.50 3h90 h LEU 54 Cb 0.85 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3h90 h LEU 54 CO 0.06 0.83 0.08 0.74 -0.34 0.00 0.00 178.44 179.81 3h90 h THR 55 N 0.79 1.01 -0.95 1.05 2.02 -0.84 -1.59 112.91 114.41 3h90 h THR 55 Ca 0.18 -0.06 0.18 0.00 0.77 0.00 0.00 66.41 67.48 3h90 h THR 55 Cb 0.31 0.82 -0.08 0.00 -1.74 0.00 0.00 68.15 67.46 3h90 h THR 55 CO -0.00 0.03 0.60 -1.13 0.37 0.00 0.00 175.52 175.39 3h90 h ASN 56 N 0.17 0.63 -0.44 4.18 -1.24 -1.29 0.11 115.58 117.70 3h90 h ASN 56 Ca 0.06 0.06 -0.06 0.00 0.71 0.00 0.00 56.30 57.07 3h90 h ASN 56 Cb 0.00 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 3h90 h ASN 56 CO -0.03 0.26 0.04 0.25 -1.29 0.00 0.00 177.43 176.65 3h90 h LEU 57 N 0.63 0.74 -0.72 0.34 5.85 -0.67 0.03 115.31 121.51 3h90 h LEU 57 Ca 0.51 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3h90 h LEU 57 Cb 0.94 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3h90 h LEU 57 CO -0.26 0.84 0.43 -0.07 -0.34 0.00 0.00 178.44 179.04 3h90 h LEU 58 N 0.61 0.87 -0.21 2.25 3.38 0.03 -1.11 115.31 121.14 3h90 h LEU 58 Ca 0.13 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 3h90 h LEU 58 Cb 0.44 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.98 3h90 h LEU 58 CO 0.02 0.68 -0.76 0.58 0.09 0.00 0.00 178.44 179.05 3h90 h VAL 59 N 0.98 1.29 0.00 1.22 2.07 -0.81 -1.68 116.25 119.32 3h90 h VAL 59 Ca 0.26 -1.98 -0.06 0.00 0.82 0.00 0.00 66.70 65.74 3h90 h VAL 59 Cb -0.03 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3h90 h VAL 59 CO -0.05 0.62 -0.29 -0.37 0.02 0.00 0.00 177.57 177.50 3h90 h VAL 60 N 0.51 0.99 -0.20 2.57 -1.51 -0.93 0.79 116.25 118.48 3h90 h VAL 60 Ca -0.05 -1.09 -0.17 0.00 -1.23 0.00 0.00 66.70 64.16 3h90 h VAL 60 Cb 1.38 1.63 -0.00 0.00 -2.13 0.00 0.00 31.29 32.16 3h90 h VAL 60 CO 0.15 0.29 -0.57 -0.09 -1.23 0.00 0.00 177.57 176.12 3h90 h ARG 61 N 0.00 0.62 0.24 5.19 2.43 -1.06 -2.59 114.38 119.21 3h90 h ARG 61 Ca -0.00 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 3h90 h ARG 61 Cb 0.60 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3h90 h ARG 61 CO 0.04 1.02 -0.12 -0.92 -1.51 0.00 0.00 179.97 178.48 3h90 h TYR 62 N 0.47 -0.30 -1.00 2.20 5.03 -0.80 -3.10 116.97 119.47 3h90 h TYR 62 Ca 0.00 -0.01 0.38 0.00 2.58 0.00 0.00 58.73 61.69 3h90 h TYR 62 Cb 1.13 0.10 -0.18 0.00 1.55 0.00 0.00 36.73 39.33 3h90 h TYR 62 CO 0.05 -0.12 0.41 1.03 -1.32 0.00 0.00 178.16 178.21 3h90 h SER 63 N -0.42 0.12 0.86 -2.11 0.87 -0.75 -2.05 113.55 110.07 3h90 h SER 63 Ca -0.03 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3h90 h SER 63 Cb 0.32 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3h90 h SER 63 CO 0.06 -0.42 -0.28 0.18 -0.53 0.00 0.00 176.83 175.84 3h90 n LEU 64 N -5.32 0.39 -4.72 2.23 7.99 -0.98 -3.70 117.00 112.89 3h90 n LEU 64 Ca 0.34 0.29 -0.42 0.00 -0.01 0.00 0.00 56.01 56.21 3h90 n LEU 64 Cb 1.15 -0.34 -0.00 0.00 -0.11 0.00 0.00 43.42 44.12 3h90 n LEU 64 CO -0.01 0.01 0.95 0.00 -1.51 0.00 0.00 177.39 176.84 3h90 n GLN 65 N -1.69 2.24 -0.87 3.23 6.02 -0.77 -4.99 117.38 120.55 3h90 n GLN 65 Ca 0.06 0.79 -0.20 0.00 -0.01 0.00 0.00 57.00 57.63 3h90 n GLN 65 Cb 0.37 -2.41 0.16 0.00 1.02 0.00 0.00 30.24 29.38 3h90 n GLN 65 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3h90 n PRO 66 N 0.49 -2.02 -1.51 -1.09 -0.02 -1.26 -4.26 135.00 125.32 3h90 n PRO 66 Ca 0.04 -1.25 -0.44 0.00 -2.02 0.00 0.00 63.50 59.84 3h90 n PRO 66 Cb 0.37 -1.06 -0.06 0.00 -0.02 0.00 0.00 33.50 32.73 3h90 n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h90 n ALA 67 N -4.08 1.05 -0.58 3.55 0.00 -1.26 -4.80 120.51 114.40 3h90 n ALA 67 Ca -0.14 -0.39 -0.29 0.00 0.00 0.00 0.00 53.44 52.62 3h90 n ALA 67 Cb 0.40 -2.79 0.26 0.00 0.00 0.00 0.00 19.45 17.31 3h90 n ALA 67 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h90 s ASP 68 N 9.23 0.34 0.01 0.00 2.15 -1.24 -4.93 116.67 122.23 3h90 s ASP 68 Ca 1.07 1.18 -0.22 0.00 0.43 0.00 0.00 52.55 55.02 3h90 s ASP 68 Cb -0.59 -1.79 -0.18 0.00 -0.30 0.00 0.00 42.92 40.06 3h90 s ASP 68 CO 0.39 -4.55 1.23 -0.78 -0.17 0.00 0.00 175.17 171.30 3h90 h ASP 69 N -2.86 0.34 -0.62 -0.34 1.82 -2.00 -3.33 116.42 109.43 3h90 h ASP 69 Ca -0.55 -0.59 -0.25 0.00 -0.39 0.00 0.00 57.03 55.25 3h90 h ASP 69 Cb 1.34 -0.10 -0.15 0.00 0.68 0.00 0.00 39.33 41.10 3h90 h ASP 69 CO 0.43 0.87 0.23 -0.46 -1.61 0.00 0.00 179.24 178.69 3h90 n ASN 70 N -4.52 3.74 -3.00 2.28 0.23 -1.26 -4.28 115.26 108.45 3h90 n ASN 70 Ca -0.08 -3.46 -0.16 0.00 -0.53 0.00 0.00 54.58 50.35 3h90 n ASN 70 Cb 0.43 -0.71 -0.01 0.00 -2.08 0.00 0.00 39.78 37.41 3h90 n ASN 70 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3h90 n HIS 71 N -0.74 0.83 0.03 -2.53 8.25 -1.25 -4.99 115.22 114.81 3h90 n HIS 71 Ca 0.41 -3.52 0.00 0.00 -0.26 0.00 0.00 57.72 54.35 3h90 n HIS 71 Cb 1.29 -0.40 0.01 0.00 1.12 0.00 0.00 29.99 32.01 3h90 n HIS 71 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3h90 n SER 72 N 0.12 0.00 0.00 0.41 3.41 -1.25 -3.66 113.62 112.65 3h90 n SER 72 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3h90 n SER 72 Cb 0.69 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 3h90 n SER 72 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3h90 n PHE 73 N -1.02 0.00 -0.30 7.33 3.72 -1.26 -4.94 117.46 120.99 3h90 n PHE 73 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 3h90 n PHE 73 Cb 0.00 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.68 3h90 n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h90 n GLY 74 N 5.00 -3.49 0.40 1.37 0.00 -1.26 -4.49 105.19 102.73 3h90 n GLY 74 Ca 0.00 -1.32 0.06 0.00 0.00 0.00 0.00 46.02 44.76 3h90 n GLY 74 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h90 n HIS 75 N -4.15 0.36 0.20 1.61 8.25 -1.26 -4.85 115.22 115.39 3h90 n HIS 75 Ca 0.07 -0.72 0.06 0.00 -0.26 0.00 0.00 57.72 56.87 3h90 n HIS 75 Cb 0.28 -0.14 0.56 0.00 1.12 0.00 0.00 29.99 31.82 3h90 n HIS 75 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3h90 h GLY 76 N 0.96 0.10 1.98 -1.41 0.00 -1.77 -2.33 103.07 100.60 3h90 h GLY 76 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3h90 h GLY 76 CO 0.06 0.04 0.01 0.50 0.00 0.00 0.00 176.54 177.15 3h90 h LYS 77 N 0.10 0.00 -0.29 4.80 1.79 -1.89 -1.64 116.57 119.44 3h90 h LYS 77 Ca 0.02 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.58 3h90 h LYS 77 Cb 0.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 3h90 h LYS 77 CO 0.00 0.00 0.51 0.00 -1.08 0.00 0.00 179.45 178.88 3h90 h ALA 78 N 1.99 1.90 0.43 3.86 0.00 -1.79 -1.58 119.26 124.07 3h90 h ALA 78 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3h90 h ALA 78 Cb 0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3h90 h ALA 78 CO -0.00 -0.66 -0.21 0.93 0.00 0.00 0.00 179.25 179.31 3h90 h GLU 79 N 0.00 -0.56 -0.23 0.00 5.08 -1.51 -1.31 114.58 116.05 3h90 h GLU 79 Ca 0.14 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3h90 h GLU 79 Cb 1.16 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 3h90 h GLU 79 CO -0.00 -0.25 0.08 0.77 -1.00 0.00 0.00 179.01 178.61 3h90 h SER 80 N -0.97 0.28 -0.04 1.42 0.02 -1.51 0.48 113.55 113.23 3h90 h SER 80 Ca -0.06 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3h90 h SER 80 Cb 0.56 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 3h90 h SER 80 CO 0.10 0.28 0.01 0.25 -1.14 0.00 0.00 176.83 176.32 3h90 h LEU 81 N 0.32 0.06 -0.35 5.07 5.85 -1.33 0.10 115.31 125.04 3h90 h LEU 81 Ca 0.08 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3h90 h LEU 81 Cb 0.09 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3h90 h LEU 81 CO -0.01 0.29 0.20 0.00 -0.34 0.00 0.00 178.44 178.58 3h90 h ALA 82 N 0.78 0.44 -0.76 1.25 0.00 -0.23 -0.75 119.26 120.00 3h90 h ALA 82 Ca 0.01 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.96 3h90 h ALA 82 Cb 0.25 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 3h90 h ALA 82 CO 0.00 -0.04 0.38 0.00 0.00 0.00 0.00 179.25 179.59 3h90 h ALA 83 N 1.06 1.07 -0.17 0.00 0.00 0.01 0.91 119.26 122.14 3h90 h ALA 83 Ca 0.12 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3h90 h ALA 83 Cb 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3h90 h ALA 83 CO -0.02 -0.04 0.03 1.25 0.00 0.00 0.00 179.25 180.47 3h90 h LEU 84 N 0.63 0.27 -0.87 0.00 5.85 -0.40 0.01 115.31 120.80 3h90 h LEU 84 Ca 0.38 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3h90 h LEU 84 Cb 0.43 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 3h90 h LEU 84 CO -0.29 0.45 0.56 0.00 -0.34 0.00 0.00 178.44 178.82 3h90 h ALA 85 N 0.82 1.16 -0.32 1.25 0.00 -0.62 -1.97 119.26 119.58 3h90 h ALA 85 Ca 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3h90 h ALA 85 Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3h90 h ALA 85 CO 0.00 0.38 0.07 1.96 0.00 0.00 0.00 179.25 181.66 3h90 h GLN 86 N 1.06 0.51 -0.64 0.00 4.20 -0.72 -3.11 115.11 116.42 3h90 h GLN 86 Ca 0.35 -0.13 0.11 0.00 0.06 0.00 0.00 58.65 59.04 3h90 h GLN 86 Cb 0.05 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 3h90 h GLN 86 CO -0.13 0.59 0.43 1.03 -0.67 0.00 0.00 178.83 180.07 3h90 h SER 87 N 0.35 0.38 0.16 1.46 0.87 -0.25 -0.92 113.55 115.60 3h90 h SER 87 Ca 0.10 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3h90 h SER 87 Cb 0.31 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3h90 h SER 87 CO 0.00 0.22 -0.08 0.24 -0.53 0.00 0.00 176.83 176.69 3h90 h MET 88 N 0.42 -0.21 -0.03 2.24 2.86 -1.37 -0.54 114.93 118.30 3h90 h MET 88 Ca 0.30 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.97 3h90 h MET 88 Cb 0.60 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 3h90 h MET 88 CO -0.09 0.19 -0.08 0.74 1.06 0.00 0.00 176.91 178.74 3h90 h PHE 89 N -0.69 -0.20 -0.91 -0.22 0.05 -1.44 0.65 116.94 114.19 3h90 h PHE 89 Ca -0.02 0.01 0.08 0.00 3.82 0.00 0.00 57.97 61.86 3h90 h PHE 89 Cb 0.50 0.09 -0.07 0.00 2.00 0.00 0.00 35.95 38.47 3h90 h PHE 89 CO 0.06 -0.12 0.57 0.82 -0.18 0.00 0.00 178.31 179.46 3h90 h ILE 90 N -0.12 1.00 -0.45 -0.55 2.04 -1.26 0.25 117.51 118.41 3h90 h ILE 90 Ca 0.04 -0.34 -0.10 0.00 1.00 0.00 0.00 64.86 65.46 3h90 h ILE 90 Cb 0.18 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.17 3h90 h ILE 90 CO -0.10 0.18 -0.14 -1.28 0.00 0.00 0.00 178.15 176.81 3h90 h SER 91 N 0.98 0.84 0.62 1.72 0.87 -0.16 -2.12 113.55 116.31 3h90 h SER 91 Ca 0.42 -0.27 -0.14 0.00 -1.23 0.00 0.00 61.79 60.57 3h90 h SER 91 Cb 0.28 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3h90 h SER 91 CO -0.21 0.98 -0.64 1.23 -0.53 0.00 0.00 176.83 177.66 3h90 h GLY 92 N 0.97 0.02 1.49 5.77 0.00 0.13 -2.46 103.07 108.99 3h90 h GLY 92 Ca 0.12 -0.03 -0.14 0.00 0.00 0.00 0.00 47.33 47.28 3h90 h GLY 92 CO 0.05 0.02 -0.46 1.76 0.00 0.00 0.00 176.54 177.91 3h90 h SER 93 N 0.01 0.59 0.56 0.19 0.02 -0.34 -2.62 113.55 111.96 3h90 h SER 93 Ca -0.01 -0.28 -0.20 0.00 -0.84 0.00 0.00 61.79 60.46 3h90 h SER 93 Cb 1.14 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 3h90 h SER 93 CO 0.08 0.97 -0.87 0.00 -1.14 0.00 0.00 176.83 175.87 3h90 h ALA 94 N 1.06 0.52 -0.22 3.77 0.00 -1.23 -1.40 119.26 121.76 3h90 h ALA 94 Ca 0.03 -0.72 -0.19 0.00 0.00 0.00 0.00 54.91 54.03 3h90 h ALA 94 Cb 0.98 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3h90 h ALA 94 CO 0.09 0.90 -0.60 1.25 0.00 0.00 0.00 179.25 180.89 3h90 h LEU 95 N 0.12 0.83 -1.72 0.00 6.46 -1.51 -0.26 115.31 119.23 3h90 h LEU 95 Ca -0.05 -0.47 0.01 0.00 -0.12 0.00 0.00 57.88 57.26 3h90 h LEU 95 Cb 1.50 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 41.17 3h90 h LEU 95 CO 0.13 1.24 0.20 0.15 -0.62 0.00 0.00 178.44 179.55 3h90 h PHE 96 N 0.55 0.36 0.00 1.25 3.57 -1.38 -1.20 116.94 120.09 3h90 h PHE 96 Ca -0.00 0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.29 3h90 h PHE 96 Cb 1.20 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 3h90 h PHE 96 CO 0.06 0.22 -1.40 1.25 -2.23 0.00 0.00 178.31 176.22 3h90 h LEU 97 N 0.38 0.00 -0.08 0.59 5.85 -1.03 -2.90 115.31 118.13 3h90 h LEU 97 Ca 0.12 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.60 3h90 h LEU 97 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3h90 h LEU 97 CO -0.03 0.79 -1.04 0.15 -0.34 0.00 0.00 178.44 177.97 3h90 h PHE 98 N 0.00 0.55 -0.01 1.25 3.57 -0.92 -0.56 116.94 120.82 3h90 h PHE 98 Ca -0.18 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 60.99 3h90 h PHE 98 Cb 1.76 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.45 3h90 h PHE 98 CO 0.00 1.19 0.00 1.28 -2.23 0.00 0.00 178.31 178.55 3h90 n LEU 99 N -3.67 0.72 -0.01 0.59 7.99 -0.47 -1.67 117.00 120.49 3h90 n LEU 99 Ca -0.07 -0.24 0.10 0.00 -0.01 0.00 0.00 56.01 55.79 3h90 n LEU 99 Cb 0.90 -0.00 -0.16 0.00 -0.11 0.00 0.00 43.42 44.05 3h90 n LEU 99 CO 0.52 0.12 -0.65 0.41 -1.51 0.00 0.00 177.39 176.27 3h90 n THR 100 N -0.44 0.00 0.08 -5.08 -1.04 -1.09 -3.69 114.28 103.02 3h90 n THR 100 Ca 0.22 -0.42 -0.13 0.00 -2.04 0.00 0.00 64.05 61.68 3h90 n THR 100 Cb 0.23 0.15 -0.08 0.00 -1.82 0.00 0.00 70.33 68.81 3h90 n THR 100 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3h90 h GLY 101 N 3.97 -0.19 1.97 3.41 0.00 -0.17 -2.71 103.07 109.36 3h90 h GLY 101 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3h90 h GLY 101 CO 0.00 -0.07 -0.02 0.16 0.00 0.00 0.00 176.54 176.61 3h90 h ILE 102 N -0.45 0.00 0.78 2.60 3.07 -1.65 -3.28 117.51 118.59 3h90 h ILE 102 Ca -0.02 -0.51 -0.04 0.00 1.55 0.00 0.00 64.86 65.85 3h90 h ILE 102 Cb 0.36 1.49 0.01 0.00 -0.27 0.00 0.00 36.82 38.41 3h90 h ILE 102 CO 0.03 0.00 -0.37 -0.61 -1.05 0.00 0.00 178.15 176.15 3h90 h GLN 103 N 0.00 -1.01 -2.19 0.16 4.15 -1.60 -3.03 115.11 111.59 3h90 h GLN 103 Ca 0.00 0.07 -0.71 0.00 0.77 0.00 0.00 58.65 58.78 3h90 h GLN 103 Cb 0.75 0.23 -0.22 0.00 0.21 0.00 0.00 27.48 28.46 3h90 h GLN 103 CO 0.00 -0.67 1.18 -2.39 -1.93 0.00 0.00 178.83 175.02 3h90 n HIS 104 N -5.47 2.50 -0.54 3.99 1.44 -1.03 -3.91 115.22 112.19 3h90 n HIS 104 Ca -0.13 -2.39 -0.06 0.00 -2.01 0.00 0.00 57.72 53.13 3h90 n HIS 104 Cb 0.41 -1.38 -0.08 0.00 0.12 0.00 0.00 29.99 29.07 3h90 n HIS 104 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 3h90 n LEU 105 N 0.41 3.28 -3.84 2.39 -0.00 -1.15 -4.38 117.00 113.71 3h90 n LEU 105 Ca 0.53 -2.00 -0.24 0.00 -0.00 0.00 0.00 56.01 54.29 3h90 n LEU 105 Cb 0.32 -0.84 0.01 0.00 -0.00 0.00 0.00 43.42 42.91 3h90 n LEU 105 CO 0.50 0.81 -0.12 -0.38 -0.00 0.00 0.00 177.39 178.21 3h90 n ILE 106 N 2.43 -3.53 -0.09 1.96 5.41 -1.26 -4.96 119.36 119.32 3h90 n ILE 106 Ca 0.20 -0.43 -0.15 0.00 1.00 0.00 0.00 62.75 63.37 3h90 n ILE 106 Cb 0.51 -3.15 -0.08 0.00 -0.71 0.00 0.00 39.64 36.20 3h90 n ILE 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3h90 h SER 107 N -1.86 0.00 0.00 4.38 0.02 -1.78 -3.43 113.55 110.88 3h90 h SER 107 Ca -0.62 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 59.93 3h90 h SER 107 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 3h90 h SER 107 CO 0.61 1.19 0.00 -2.65 -1.14 0.00 0.00 176.83 174.84 3h90 n PRO 108 N -4.52 0.00 -3.66 3.45 -0.02 -1.26 -5.07 135.00 123.91 3h90 n PRO 108 Ca -0.21 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.23 3h90 n PRO 108 Cb 0.51 -0.11 -0.01 0.00 -0.02 0.00 0.00 33.50 33.87 3h90 n PRO 108 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3h90 s THR 109 N 0.00 0.00 -0.94 3.45 -4.23 -1.26 -5.04 115.64 107.62 3h90 s THR 109 Ca 0.00 -0.39 -0.26 0.00 -1.18 0.00 0.00 61.69 59.86 3h90 s THR 109 Cb 0.00 -1.71 -0.17 0.00 1.34 0.00 0.00 72.50 71.97 3h90 s THR 109 CO 0.00 0.00 2.24 -2.84 -0.54 0.00 0.00 174.62 173.48 3h90 s PRO 110 N -3.04 1.51 0.01 3.99 0.02 -1.26 -4.74 135.00 131.49 3h90 s PRO 110 Ca 0.11 -0.01 0.05 0.00 0.02 0.00 0.00 61.00 61.17 3h90 s PRO 110 Cb -0.00 -4.90 -0.24 0.00 0.02 0.00 0.00 34.50 29.38 3h90 s PRO 110 CO -0.02 -4.82 0.86 0.52 -0.33 0.00 0.00 177.00 173.21 3h90 h MET 111 N 12.04 0.10 -5.50 5.54 2.86 -1.98 -3.41 114.93 124.57 3h90 h MET 111 Ca 0.02 -0.16 -0.21 0.00 -2.06 0.00 0.00 59.70 57.29 3h90 h MET 111 Cb 1.00 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.69 3h90 h MET 111 CO 1.03 0.86 0.58 0.99 1.06 0.00 0.00 176.91 181.43 3h90 s THR 112 N -2.63 3.33 -0.08 2.22 2.01 -1.26 -4.61 115.64 114.61 3h90 s THR 112 Ca -0.06 -0.39 0.09 0.00 0.31 0.00 0.00 61.69 61.64 3h90 s THR 112 Cb 0.08 -3.93 -0.12 0.00 0.01 0.00 0.00 72.50 68.53 3h90 s THR 112 CO 0.83 -0.65 0.06 0.47 -0.69 0.00 0.00 174.62 174.63 3h90 n ASP 113 N 15.79 2.65 -4.55 3.53 10.43 -1.26 -4.94 116.55 138.19 3h90 n ASP 113 Ca 0.43 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 57.38 3h90 n ASP 113 Cb 0.46 0.82 -0.04 0.00 1.84 0.00 0.00 41.12 44.20 3h90 n ASP 113 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 3h90 n PRO 114 N -2.30 1.37 -1.28 -0.24 -0.02 -1.26 -4.83 135.00 126.45 3h90 n PRO 114 Ca -0.14 0.25 -0.37 0.00 -2.02 0.00 0.00 63.50 61.23 3h90 n PRO 114 Cb 0.75 -3.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.07 3h90 n PRO 114 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h90 n GLY 115 N 6.01 3.77 0.79 -1.23 0.00 -1.26 -4.93 105.19 108.35 3h90 n GLY 115 Ca 0.36 -1.35 -0.07 0.00 0.00 0.00 0.00 46.02 44.97 3h90 n GLY 115 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3h90 n VAL 116 N 4.56 0.00 -1.78 1.61 0.24 -1.26 -4.83 118.33 116.87 3h90 n VAL 116 Ca 0.59 -0.11 -0.19 0.00 -2.04 0.00 0.00 64.34 62.58 3h90 n VAL 116 Cb 0.28 -1.07 -0.08 0.00 -1.47 0.00 0.00 33.84 31.51 3h90 n VAL 116 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3h90 s GLY 117 N -2.96 -0.51 0.00 7.63 0.00 -1.26 -4.75 107.32 105.47 3h90 s GLY 117 Ca 0.16 -1.40 0.09 0.00 0.00 0.00 0.00 44.72 43.58 3h90 s GLY 117 CO 0.12 3.96 1.29 1.55 0.00 0.00 0.00 173.10 180.02 3h90 n VAL 118 N 8.48 0.00 0.26 1.40 3.14 -1.26 -3.72 118.33 126.63 3h90 n VAL 118 Ca 0.43 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.93 3h90 n VAL 118 Cb 0.46 -0.21 0.73 0.00 -1.06 0.00 0.00 33.84 33.76 3h90 n VAL 118 CO 0.00 0.00 0.00 0.16 -6.46 0.00 0.00 176.83 170.53 3h90 h ILE 119 N 0.00 0.71 0.29 1.55 -2.65 -2.01 -2.70 117.51 112.70 3h90 h ILE 119 Ca 0.00 -0.36 -0.01 0.00 1.03 0.00 0.00 64.86 65.52 3h90 h ILE 119 Cb 0.00 1.22 0.00 0.00 -2.05 0.00 0.00 36.82 35.99 3h90 h ILE 119 CO 0.00 0.09 -0.14 -0.37 0.03 0.00 0.00 178.15 177.76 3h90 h VAL 120 N 0.00 0.75 0.00 0.16 -1.51 -1.90 -2.63 116.25 111.13 3h90 h VAL 120 Ca -0.00 -0.42 -0.01 0.00 -1.23 0.00 0.00 66.70 65.03 3h90 h VAL 120 Cb 0.21 0.98 -0.00 0.00 -2.13 0.00 0.00 31.29 30.35 3h90 h VAL 120 CO 0.01 0.09 -0.06 0.71 -1.23 0.00 0.00 177.57 177.09 3h90 h THR 121 N -0.61 0.16 0.11 7.19 1.35 -1.78 0.70 112.91 120.02 3h90 h THR 121 Ca -0.04 -0.67 -0.26 0.00 -0.55 0.00 0.00 66.41 64.89 3h90 h THR 121 Cb 0.44 1.57 -0.00 0.00 -1.73 0.00 0.00 68.15 68.43 3h90 h THR 121 CO 0.06 0.06 -1.21 0.16 -0.25 0.00 0.00 175.52 174.35 3h90 h ILE 122 N 0.00 1.53 -0.06 6.82 3.07 -1.56 -1.75 117.51 125.56 3h90 h ILE 122 Ca -0.00 -3.12 -0.02 0.00 1.55 0.00 0.00 64.86 63.27 3h90 h ILE 122 Cb 0.57 2.93 -0.00 0.00 -0.27 0.00 0.00 36.82 40.04 3h90 h ILE 122 CO 0.01 0.91 -0.04 0.58 -1.05 0.00 0.00 178.15 178.55 3h90 h VAL 123 N 0.06 1.35 -0.48 0.16 2.07 -0.93 -2.99 116.25 115.50 3h90 h VAL 123 Ca -0.12 -1.13 0.10 0.00 0.82 0.00 0.00 66.70 66.37 3h90 h VAL 123 Cb 1.94 1.99 -0.10 0.00 -1.52 0.00 0.00 31.29 33.60 3h90 h VAL 123 CO 0.19 0.31 -0.18 0.00 0.02 0.00 0.00 177.57 177.91 3h90 h ALA 124 N 0.58 0.21 -0.24 1.67 0.00 0.30 -1.45 119.26 120.32 3h90 h ALA 124 Ca 0.01 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.16 3h90 h ALA 124 Cb 0.52 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 3h90 h ALA 124 CO 0.01 -0.51 -0.30 1.25 0.00 0.00 0.00 179.25 179.70 3h90 h LEU 125 N -0.07 -0.95 0.45 0.00 5.85 -1.35 -1.54 115.31 117.69 3h90 h LEU 125 Ca 0.23 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 59.09 3h90 h LEU 125 Cb 0.43 0.43 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3h90 h LEU 125 CO -0.53 -0.32 -0.24 0.40 -0.34 0.00 0.00 178.44 177.41 3h90 h ILE 126 N -0.31 0.51 -0.81 4.05 1.08 -1.19 0.20 117.51 121.04 3h90 h ILE 126 Ca 0.13 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.73 3h90 h ILE 126 Cb 0.52 0.51 -0.09 0.00 -3.07 0.00 0.00 36.82 34.69 3h90 h ILE 126 CO -0.41 0.00 0.40 0.00 -0.69 0.00 0.00 178.15 177.45 3h90 h THR 128 N 0.60 1.29 -0.45 0.00 2.02 -1.05 -1.61 112.91 113.72 3h90 h THR 128 Ca 0.43 -1.90 0.08 0.00 0.77 0.00 0.00 66.41 65.78 3h90 h THR 128 Cb 0.58 1.98 -0.06 0.00 -1.74 0.00 0.00 68.15 68.90 3h90 h THR 128 CO -0.34 0.60 0.06 0.40 0.37 0.00 0.00 175.52 176.61 3h90 h ILE 129 N 0.47 0.73 0.55 3.11 1.08 -0.00 0.45 117.51 123.90 3h90 h ILE 129 Ca -0.04 -0.06 -0.02 0.00 -0.39 0.00 0.00 64.86 64.35 3h90 h ILE 129 Cb 1.32 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.57 3h90 h ILE 129 CO 0.14 0.03 -0.51 0.40 -0.69 0.00 0.00 178.15 177.53 3h90 h ILE 130 N 0.19 0.01 -0.42 -0.67 2.04 -0.93 -2.09 117.51 115.63 3h90 h ILE 130 Ca 0.22 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.17 3h90 h ILE 130 Cb 0.29 0.01 -0.09 0.00 -0.74 0.00 0.00 36.82 36.29 3h90 h ILE 130 CO -0.31 0.00 -0.25 0.25 0.00 0.00 0.00 178.15 177.84 3h90 h LEU 131 N -1.05 -0.84 -1.20 1.44 5.85 -0.96 -0.05 115.31 118.50 3h90 h LEU 131 Ca -0.07 0.17 0.15 0.00 0.84 0.00 0.00 57.88 58.97 3h90 h LEU 131 Cb 0.90 0.43 -0.08 0.00 0.37 0.00 0.00 40.66 42.28 3h90 h LEU 131 CO -0.04 -0.27 0.60 0.58 -0.34 0.00 0.00 178.44 178.97 3h90 h VAL 132 N -0.17 0.83 -0.49 1.05 2.07 -0.84 -0.34 116.25 118.36 3h90 h VAL 132 Ca 0.20 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 3h90 h VAL 132 Cb 0.48 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3h90 h VAL 132 CO -0.52 0.14 -0.05 0.28 0.02 0.00 0.00 177.57 177.44 3h90 h SER 133 N 0.76 0.89 -0.09 0.57 0.02 -0.31 0.29 113.55 115.68 3h90 h SER 133 Ca 0.48 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3h90 h SER 133 Cb 0.71 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 3h90 h SER 133 CO -0.24 1.01 0.04 0.15 -1.14 0.00 0.00 176.83 176.65 3h90 h PHE 134 N 0.75 0.13 -0.45 3.45 3.57 -0.39 0.12 116.94 124.12 3h90 h PHE 134 Ca 0.13 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.66 3h90 h PHE 134 Cb 0.59 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 3h90 h PHE 134 CO 0.04 0.24 0.23 1.96 -2.23 0.00 0.00 178.31 178.56 3h90 h GLN 135 N -0.01 0.46 0.00 1.11 4.20 -1.04 0.16 115.11 119.98 3h90 h GLN 135 Ca 0.03 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3h90 h GLN 135 Cb 0.16 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3h90 h GLN 135 CO -0.00 0.30 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.32 3h90 h ARG 136 N 0.47 0.00 -0.10 1.46 2.43 -0.11 0.28 114.38 118.81 3h90 h ARG 136 Ca 0.19 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.13 3h90 h ARG 136 Cb 0.09 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3h90 h ARG 136 CO -0.13 0.04 -0.86 2.35 -1.51 0.00 0.00 179.97 179.87 3h90 h TRP 137 N 0.00 1.05 -0.57 2.20 7.01 0.83 -2.75 115.95 123.73 3h90 h TRP 137 Ca -0.00 -0.50 -0.09 0.00 2.11 0.00 0.00 58.89 60.41 3h90 h TRP 137 Cb 0.08 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 3h90 h TRP 137 CO 0.00 1.34 0.00 0.28 -2.79 0.00 0.00 178.44 177.27 3h90 h VAL 138 N 0.47 1.26 -0.78 2.65 2.07 0.25 -2.64 116.25 119.54 3h90 h VAL 138 Ca -0.08 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 3h90 h VAL 138 Cb 1.50 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 3h90 h VAL 138 CO 0.17 0.41 0.43 0.58 0.02 0.00 0.00 177.57 179.18 3h90 h VAL 139 N 0.90 1.23 0.00 2.57 2.07 -0.53 0.20 116.25 122.68 3h90 h VAL 139 Ca 0.16 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3h90 h VAL 139 Cb 0.55 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3h90 h VAL 139 CO 0.03 0.26 -0.09 -0.09 0.02 0.00 0.00 177.57 177.70 3h90 h ARG 140 N 1.07 0.00 0.01 1.57 2.43 -1.38 -3.24 114.38 114.85 3h90 h ARG 140 Ca 0.27 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 59.07 3h90 h ARG 140 Cb 0.03 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.52 3h90 h ARG 140 CO -0.04 0.09 -2.36 -2.13 -1.51 0.00 0.00 179.97 174.01 3h90 n ARG 141 N -3.26 0.67 -3.64 0.20 3.00 -0.95 -4.86 116.66 107.82 3h90 n ARG 141 Ca -0.00 0.13 -0.19 0.00 -0.00 0.00 0.00 57.85 57.78 3h90 n ARG 141 Cb 0.33 -1.56 -0.16 0.00 0.00 0.00 0.00 32.46 31.07 3h90 n ARG 141 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 3h90 s THR 142 N -2.52 -0.19 -1.79 5.15 -1.32 0.65 -5.05 115.64 110.57 3h90 s THR 142 Ca -0.25 0.26 0.01 0.00 -1.21 0.00 0.00 61.69 60.50 3h90 s THR 142 Cb 0.08 -0.32 0.03 0.00 -1.51 0.00 0.00 72.50 70.78 3h90 s THR 142 CO 0.69 0.06 0.67 0.00 -2.21 0.00 0.00 174.62 173.83 3h90 n GLN 143 N 5.31 0.03 -0.21 7.08 1.13 -1.24 -4.09 117.38 125.40 3h90 n GLN 143 Ca -0.04 0.10 -0.10 0.00 -1.94 0.00 0.00 57.00 55.02 3h90 n GLN 143 Cb 0.50 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.33 3h90 n GLN 143 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3h90 n SER 144 N -1.10 0.12 0.12 1.08 2.88 -1.26 -4.83 113.62 110.62 3h90 n SER 144 Ca 0.01 0.11 0.02 0.00 -1.33 0.00 0.00 58.87 57.67 3h90 n SER 144 Cb 0.01 -0.15 0.36 0.00 -0.75 0.00 0.00 64.21 63.68 3h90 n SER 144 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 3h90 h GLN 145 N 1.48 0.22 -0.60 -1.46 4.20 -1.92 -2.47 115.11 114.56 3h90 h GLN 145 Ca -0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3h90 h GLN 145 Cb 0.23 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 3h90 h GLN 145 CO 0.18 0.42 0.38 0.00 -0.67 0.00 0.00 178.83 179.14 3h90 h ALA 146 N 1.60 0.77 0.00 3.87 0.00 -1.88 0.92 119.26 124.53 3h90 h ALA 146 Ca 0.04 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 3h90 h ALA 146 Cb 0.47 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3h90 h ALA 146 CO 0.03 0.23 -1.05 -0.39 0.00 0.00 0.00 179.25 178.07 3h90 h VAL 147 N 0.82 1.60 -0.27 0.00 -1.51 -1.93 -2.88 116.25 112.09 3h90 h VAL 147 Ca 0.22 -3.32 -0.12 0.00 -1.23 0.00 0.00 66.70 62.25 3h90 h VAL 147 Cb -0.05 2.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.89 3h90 h VAL 147 CO -0.04 0.91 -0.32 -0.09 -1.23 0.00 0.00 177.57 176.80 3h90 h ARG 148 N 0.00 0.57 0.09 5.19 2.43 -1.08 0.11 114.38 121.70 3h90 h ARG 148 Ca -0.04 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3h90 h ARG 148 Cb 1.78 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.32 3h90 h ARG 148 CO 0.12 0.83 -0.05 0.00 -1.51 0.00 0.00 179.97 179.36 3h90 h ALA 149 N 1.16 -0.13 -0.68 2.80 0.00 -0.88 -1.96 119.26 119.57 3h90 h ALA 149 Ca 0.06 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3h90 h ALA 149 Cb 0.80 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3h90 h ALA 149 CO 0.07 -0.47 0.40 0.22 0.00 0.00 0.00 179.25 179.47 3h90 h ASP 150 N -0.34 0.62 -0.59 0.00 3.58 -1.27 -1.90 116.42 116.52 3h90 h ASP 150 Ca -0.01 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.48 3h90 h ASP 150 Cb 0.28 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 3h90 h ASP 150 CO 0.02 0.41 0.36 -0.03 -2.88 0.00 0.00 179.24 177.12 3h90 h MET 151 N 0.75 0.70 -0.80 0.28 4.05 -0.75 -2.47 114.93 116.69 3h90 h MET 151 Ca 0.29 -0.04 0.15 0.00 -0.28 0.00 0.00 59.70 59.83 3h90 h MET 151 Cb 0.13 -0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 30.72 3h90 h MET 151 CO -0.16 0.46 0.53 1.25 0.23 0.00 0.00 176.91 179.23 3h90 h LEU 152 N 0.72 0.45 -0.42 3.39 5.85 -0.53 0.12 115.31 124.89 3h90 h LEU 152 Ca 0.24 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 3h90 h LEU 152 Cb 0.01 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3h90 h LEU 152 CO -0.09 0.23 0.16 -0.74 -0.34 0.00 0.00 178.44 177.65 3h90 h HIS 153 N 0.48 0.65 0.00 1.25 2.76 -1.35 -2.90 115.15 116.03 3h90 h HIS 153 Ca 0.40 -0.05 -0.10 0.00 -2.20 0.00 0.00 60.37 58.42 3h90 h HIS 153 Cb 0.86 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 3h90 h HIS 153 CO -0.00 0.58 -0.46 1.88 -1.30 0.00 0.00 177.93 178.63 3h90 h TYR 154 N 0.53 0.00 -0.07 5.26 -1.99 -0.86 -1.54 116.97 118.31 3h90 h TYR 154 Ca 0.14 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.84 3h90 h TYR 154 Cb 0.21 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 3h90 h TYR 154 CO 0.00 0.46 -0.08 1.96 -0.00 0.00 0.00 178.16 180.50 3h90 h GLN 155 N 0.00 0.10 -0.01 4.88 4.20 -0.83 0.25 115.11 123.69 3h90 h GLN 155 Ca -0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3h90 h GLN 155 Cb 1.04 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.80 3h90 h GLN 155 CO 0.06 0.18 -0.03 1.03 -0.67 0.00 0.00 178.83 179.41 3h90 h SER 156 N 0.09 0.04 -0.94 1.46 0.87 -1.10 -3.09 113.55 110.89 3h90 h SER 156 Ca 0.02 -0.57 0.13 0.00 -1.23 0.00 0.00 61.79 60.14 3h90 h SER 156 Cb 0.21 -0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 62.08 3h90 h SER 156 CO 0.01 0.61 0.60 0.44 -0.53 0.00 0.00 176.83 177.96 3h90 h ASP 157 N -0.52 0.78 0.28 6.23 5.19 -1.10 -0.11 116.42 127.17 3h90 h ASP 157 Ca 0.00 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 3h90 h ASP 157 Cb 0.60 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.00 3h90 h ASP 157 CO 0.01 0.41 -0.05 0.58 -3.12 0.00 0.00 179.24 177.07 3h90 h VAL 158 N 0.83 0.32 -0.63 -1.35 2.07 -0.96 -3.15 116.25 113.38 3h90 h VAL 158 Ca 0.47 -0.27 -0.72 0.00 0.82 0.00 0.00 66.70 67.00 3h90 h VAL 158 Cb 0.60 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 3h90 h VAL 158 CO -0.23 0.05 2.93 0.23 0.02 0.00 0.00 177.57 180.57 3h90 n MET 159 N -3.45 3.83 -4.32 1.57 2.81 -0.05 -4.91 117.12 112.60 3h90 n MET 159 Ca -0.02 -2.92 -0.34 0.00 -1.81 0.00 0.00 57.70 52.60 3h90 n MET 159 Cb 0.17 -2.85 -0.10 0.00 -0.71 0.00 0.00 33.22 29.72 3h90 n MET 159 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 3h90 s MET 160 N 0.95 3.37 -0.70 0.03 1.75 -1.19 -5.03 119.30 118.47 3h90 s MET 160 Ca 0.55 -0.43 -0.01 0.00 -1.25 0.00 0.00 55.69 54.56 3h90 s MET 160 Cb 0.16 -2.90 0.18 0.00 2.84 0.00 0.00 34.83 35.10 3h90 s MET 160 CO -0.06 0.49 0.52 -0.80 -0.65 0.00 0.00 175.02 174.52 3h90 s ASN 161 N -0.28 5.28 -0.21 1.11 0.01 -1.26 -4.49 114.94 115.10 3h90 s ASN 161 Ca 0.06 -3.27 0.11 0.00 -0.71 0.00 0.00 52.86 49.05 3h90 s ASN 161 Cb -0.12 -1.81 0.68 0.00 0.41 0.00 0.00 41.25 40.40 3h90 s ASN 161 CO 0.02 -0.26 1.56 0.61 -1.51 0.00 0.00 177.10 177.52 3h90 n GLY 162 N 2.88 2.82 0.98 0.66 0.00 -1.26 -3.96 105.19 107.32 3h90 n GLY 162 Ca 0.13 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.42 3h90 n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h90 n ALA 163 N 0.44 2.83 -2.48 4.61 0.00 -1.26 -4.81 120.51 119.83 3h90 n ALA 163 Ca 0.25 -0.86 -0.43 0.00 0.00 0.00 0.00 53.44 52.40 3h90 n ALA 163 Cb 1.07 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 3h90 n ALA 163 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3h90 s ILE 164 N -1.70 4.01 0.35 0.00 -4.36 -1.25 -5.00 121.20 113.24 3h90 s ILE 164 Ca 0.28 0.99 -0.29 0.00 -0.26 0.00 0.00 60.65 61.37 3h90 s ILE 164 Cb 0.18 -4.46 -0.11 0.00 1.25 0.00 0.00 42.46 39.32 3h90 s ILE 164 CO 0.14 -1.00 1.54 -0.76 0.24 0.00 0.00 174.94 175.10 3h90 s LEU 165 N 5.12 4.32 -0.19 0.37 1.43 -1.26 -4.94 118.68 123.53 3h90 s LEU 165 Ca 0.53 3.04 -0.00 0.00 -1.03 0.00 0.00 54.13 56.66 3h90 s LEU 165 Cb -0.10 -3.66 -0.12 0.00 0.03 0.00 0.00 46.19 42.34 3h90 s LEU 165 CO 0.30 -0.91 -0.18 0.00 0.23 0.00 0.00 176.35 175.79 3h90 n LEU 166 N 1.05 2.74 0.00 1.79 -0.00 -1.26 -3.73 117.00 117.59 3h90 n LEU 166 Ca 0.04 -0.05 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 3h90 n LEU 166 Cb 0.38 -0.66 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 3h90 n LEU 166 CO 0.64 0.76 0.21 0.00 -0.00 0.00 0.00 177.39 179.00 3h90 n ALA 167 N -3.20 -0.16 -0.37 1.47 0.00 -1.26 -3.78 120.51 113.21 3h90 n ALA 167 Ca -0.35 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.07 3h90 n ALA 167 Cb 0.85 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.41 3h90 n ALA 167 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3h90 h LEU 168 N 0.00 1.12 0.00 0.00 -0.00 -2.00 -3.46 115.31 110.96 3h90 h LEU 168 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 3h90 h LEU 168 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 40.38 3h90 h LEU 168 CO 0.00 0.80 0.00 0.61 -0.00 0.00 0.00 178.44 179.85 3h90 n GLY 169 N -1.37 2.82 3.75 0.83 0.00 -1.24 -4.28 105.19 105.69 3h90 n GLY 169 Ca 0.12 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3h90 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h90 s LEU 170 N 0.00 4.46 0.88 0.99 1.02 -1.26 -4.74 118.68 120.02 3h90 s LEU 170 Ca 0.00 2.41 -0.11 0.00 0.02 0.00 0.00 54.13 56.44 3h90 s LEU 170 Cb 0.00 -3.62 0.12 0.00 0.02 0.00 0.00 46.19 42.71 3h90 s LEU 170 CO 0.00 -0.41 1.09 -0.44 0.02 0.00 0.00 176.35 176.61 3h90 s SER 171 N -0.17 3.63 0.04 2.29 0.01 -1.26 -4.93 113.70 113.30 3h90 s SER 171 Ca 0.51 1.53 -0.33 0.00 1.31 0.00 0.00 55.95 58.97 3h90 s SER 171 Cb -0.35 -2.21 -0.12 0.00 0.21 0.00 0.00 66.02 63.55 3h90 s SER 171 CO 0.42 -2.55 1.81 0.79 0.41 0.00 0.00 173.24 174.13 3h90 n TRP 172 N -3.83 2.41 -1.68 2.43 8.01 -1.26 -4.67 117.44 118.86 3h90 n TRP 172 Ca 0.07 -0.02 -0.37 0.00 -1.31 0.00 0.00 57.50 55.87 3h90 n TRP 172 Cb 0.55 -2.67 0.07 0.00 -2.01 0.00 0.00 31.31 27.25 3h90 n TRP 172 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3h90 n TYR 173 N 5.75 1.65 0.00 -5.99 4.01 -1.26 -2.86 117.16 118.46 3h90 n TYR 173 Ca 0.20 0.42 0.00 0.00 -0.16 0.00 0.00 57.90 58.36 3h90 n TYR 173 Cb 0.33 -2.23 0.00 0.00 -0.31 0.00 0.00 39.34 37.12 3h90 n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h90 n GLY 174 N 1.00 2.56 2.29 2.72 0.00 -1.26 -4.92 105.19 107.57 3h90 n GLY 174 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 3h90 n GLY 174 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3h90 n TRP 175 N -1.75 -0.80 -1.21 1.61 -0.00 -1.14 -5.14 117.44 109.01 3h90 n TRP 175 Ca 0.00 -3.32 -0.32 0.00 -0.00 0.00 0.00 57.50 53.86 3h90 n TRP 175 Cb 0.00 -0.03 0.11 0.00 -0.00 0.00 0.00 31.31 31.39 3h90 n TRP 175 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 177.69 174.31 3h90 s HIS 176 N -0.73 2.16 -0.15 5.87 -3.43 -1.26 -4.43 115.29 113.32 3h90 s HIS 176 Ca 0.34 1.64 -0.12 0.00 -0.80 0.00 0.00 55.06 56.12 3h90 s HIS 176 Cb 0.14 -3.27 0.04 0.00 -1.43 0.00 0.00 32.58 28.07 3h90 s HIS 176 CO -0.14 -2.30 0.38 0.50 -2.00 0.00 0.00 174.74 171.19 3h90 s ARG 177 N -4.44 0.42 0.00 -0.38 3.52 -1.26 -4.82 118.95 112.00 3h90 s ARG 177 Ca 0.67 0.58 0.00 0.00 -0.13 0.00 0.00 55.73 56.86 3h90 s ARG 177 Cb -0.22 0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.32 3h90 s ARG 177 CO 0.51 -0.08 0.00 0.00 -0.81 0.00 0.00 175.30 174.92 3h90 n ALA 178 N 3.22 0.00 0.37 6.12 0.00 -1.26 -4.60 120.51 124.36 3h90 n ALA 178 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.41 3h90 n ALA 178 Cb 0.57 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.33 3h90 n ALA 178 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3h90 h ASP 179 N 0.00 0.00 -0.30 0.00 3.32 -1.98 -3.40 116.42 114.06 3h90 h ASP 179 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3h90 h ASP 179 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3h90 h ASP 179 CO 0.00 0.00 -0.24 0.00 -1.72 0.00 0.00 179.24 177.28 3h90 h ALA 180 N 2.19 -0.36 -0.20 3.45 0.00 -1.83 0.97 119.26 123.49 3h90 h ALA 180 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3h90 h ALA 180 Cb 0.83 1.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 3h90 h ALA 180 CO 0.00 -0.50 0.33 1.25 0.00 0.00 0.00 179.25 180.33 3h90 h LEU 181 N -0.08 0.00 0.02 0.00 6.46 -1.87 0.33 115.31 120.17 3h90 h LEU 181 Ca 0.05 0.00 -0.38 0.00 -0.12 0.00 0.00 57.88 57.43 3h90 h LEU 181 Cb 0.21 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.08 3h90 h LEU 181 CO -0.33 0.00 -2.20 0.49 -0.62 0.00 0.00 178.44 175.78 3h90 n PHE 182 N -3.41 0.41 0.23 1.25 3.01 -0.17 -3.05 117.46 115.73 3h90 n PHE 182 Ca 0.02 0.13 0.11 0.00 1.01 0.00 0.00 57.45 58.72 3h90 n PHE 182 Cb 0.44 -1.05 0.51 0.00 -0.01 0.00 0.00 39.48 39.38 3h90 n PHE 182 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h90 h ALA 183 N -0.41 1.05 0.05 4.37 0.00 0.14 -2.40 119.26 122.06 3h90 h ALA 183 Ca -0.55 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.01 3h90 h ALA 183 Cb 1.72 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 3h90 h ALA 183 CO -0.19 0.24 -0.86 1.25 0.00 0.00 0.00 179.25 179.69 3h90 h LEU 184 N 0.00 0.18 -1.75 0.00 6.46 -0.55 -3.16 115.31 116.48 3h90 h LEU 184 Ca -0.00 -0.83 -0.01 0.00 -0.12 0.00 0.00 57.88 56.92 3h90 h LEU 184 Cb 0.67 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 3h90 h LEU 184 CO 0.03 1.37 0.05 1.23 -0.62 0.00 0.00 178.44 180.49 3h90 h GLY 185 N -0.59 0.22 0.51 3.75 0.00 -1.48 -1.27 103.07 104.20 3h90 h GLY 185 Ca -0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 3h90 h GLY 185 CO -0.01 0.09 -0.13 -2.22 0.00 0.00 0.00 176.54 174.26 3h90 h ILE 186 N 0.21 1.47 -0.94 2.60 2.04 -1.61 -2.99 117.51 118.30 3h90 h ILE 186 Ca 0.05 -1.58 0.25 0.00 1.00 0.00 0.00 64.86 64.58 3h90 h ILE 186 Cb 0.07 2.42 -0.13 0.00 -0.74 0.00 0.00 36.82 38.44 3h90 h ILE 186 CO -0.00 0.43 0.44 1.23 0.00 0.00 0.00 178.15 180.25 3h90 h GLY 187 N -0.42 1.69 0.41 5.37 0.00 -1.25 0.13 103.07 108.99 3h90 h GLY 187 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 3h90 h GLY 187 CO 0.03 -0.33 -0.20 -2.22 0.00 0.00 0.00 176.54 173.82 3h90 h ILE 188 N 0.38 0.00 -0.87 2.60 2.04 -1.37 -2.86 117.51 117.44 3h90 h ILE 188 Ca 0.61 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 66.33 3h90 h ILE 188 Cb 1.23 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 3h90 h ILE 188 CO -0.56 0.00 0.56 0.22 0.00 0.00 0.00 178.15 178.37 3h90 h TYR 189 N -0.78 0.94 -0.12 1.37 3.20 -1.22 -0.47 116.97 119.88 3h90 h TYR 189 Ca -0.06 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.70 3h90 h TYR 189 Cb 0.42 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 38.39 3h90 h TYR 189 CO 0.05 0.45 -0.46 0.82 -1.64 0.00 0.00 178.16 177.38 3h90 h ILE 190 N 0.89 1.36 -0.81 1.81 1.08 -0.92 -1.95 117.51 118.97 3h90 h ILE 190 Ca 0.39 -1.77 0.02 0.00 -0.39 0.00 0.00 64.86 63.11 3h90 h ILE 190 Cb 0.35 2.13 -0.04 0.00 -3.07 0.00 0.00 36.82 36.19 3h90 h ILE 190 CO -0.16 0.53 0.53 0.25 -0.69 0.00 0.00 178.15 178.62 3h90 h LEU 191 N 0.13 0.90 -0.32 1.44 5.85 -1.04 0.27 115.31 122.55 3h90 h LEU 191 Ca -0.02 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3h90 h LEU 191 Cb 1.10 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3h90 h LEU 191 CO 0.10 0.64 0.14 0.22 -0.34 0.00 0.00 178.44 179.20 3h90 h TYR 192 N 1.07 0.48 0.00 1.25 3.20 -1.19 -2.08 116.97 119.69 3h90 h TYR 192 Ca 0.31 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.10 3h90 h TYR 192 Cb -0.08 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 3h90 h TYR 192 CO -0.02 0.44 -0.23 0.77 -1.64 0.00 0.00 178.16 177.48 3h90 h SER 193 N 0.37 0.00 1.27 -2.11 0.02 -0.66 -1.71 113.55 110.73 3h90 h SER 193 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3h90 h SER 193 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3h90 h SER 193 CO -0.01 0.23 -0.52 0.00 -1.14 0.00 0.00 176.83 175.39 3h90 h ALA 194 N 1.77 0.71 0.04 3.77 0.00 -0.28 -2.51 119.26 122.75 3h90 h ALA 194 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 3h90 h ALA 194 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3h90 h ALA 194 CO 0.03 0.00 -1.30 -0.07 0.00 0.00 0.00 179.25 177.91 3h90 h LEU 195 N 0.00 0.12 -1.54 0.00 3.38 -1.07 -2.86 115.31 113.34 3h90 h LEU 195 Ca 0.00 -0.66 0.21 0.00 0.09 0.00 0.00 57.88 57.52 3h90 h LEU 195 Cb 0.89 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.54 3h90 h LEU 195 CO 0.00 1.53 0.61 -0.09 0.09 0.00 0.00 178.44 180.58 3h90 h ARG 196 N -0.74 0.36 0.20 1.13 9.65 -1.44 -0.00 114.38 123.54 3h90 h ARG 196 Ca -0.33 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.52 3h90 h ARG 196 Cb 1.46 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.96 3h90 h ARG 196 CO -0.11 0.24 -0.10 1.98 2.80 0.00 0.00 179.97 184.78 3h90 h MET 197 N 0.37 -0.26 0.00 0.20 4.05 -1.55 -3.13 114.93 114.61 3h90 h MET 197 Ca 0.48 0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.84 3h90 h MET 197 Cb 1.25 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 32.10 3h90 h MET 197 CO -0.17 0.05 -0.38 0.78 0.23 0.00 0.00 176.91 177.42 3h90 h GLY 198 N -0.57 0.00 0.70 1.39 0.00 -1.04 -2.78 103.07 100.76 3h90 h GLY 198 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3h90 h GLY 198 CO 0.04 0.00 -0.09 -1.82 0.00 0.00 0.00 176.54 174.67 3h90 h TYR 199 N 0.00 -0.24 -1.04 5.60 3.20 -1.13 -1.23 116.97 122.13 3h90 h TYR 199 Ca -0.00 -0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.14 3h90 h TYR 199 Cb 0.94 0.08 -0.12 0.00 1.54 0.00 0.00 36.73 39.17 3h90 h TYR 199 CO 0.00 0.07 0.63 0.93 -1.64 0.00 0.00 178.16 178.15 3h90 h GLU 200 N -0.56 0.43 -0.14 1.82 5.08 -1.47 0.24 114.58 119.97 3h90 h GLU 200 Ca -0.03 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3h90 h GLU 200 Cb 0.42 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3h90 h GLU 200 CO 0.04 0.28 0.02 0.00 -1.00 0.00 0.00 179.01 178.36 3h90 h ALA 201 N 1.71 0.19 -0.55 3.43 0.00 -1.19 -1.87 119.26 120.97 3h90 h ALA 201 Ca 0.66 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.31 3h90 h ALA 201 Cb 1.49 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 3h90 h ALA 201 CO -0.44 -0.15 -0.05 -0.39 0.00 0.00 0.00 179.25 178.22 3h90 h VAL 202 N 0.01 1.27 -0.23 0.00 -1.51 0.09 -1.68 116.25 114.19 3h90 h VAL 202 Ca 0.04 -1.18 0.07 0.00 -1.23 0.00 0.00 66.70 64.40 3h90 h VAL 202 Cb 0.30 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.38 3h90 h VAL 202 CO 0.00 0.42 0.22 1.56 -1.23 0.00 0.00 177.57 178.54 3h90 h GLN 203 N 0.88 0.00 0.00 5.19 1.08 -0.50 0.14 115.11 121.90 3h90 h GLN 203 Ca 0.15 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.16 3h90 h GLN 203 Cb 0.60 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.00 3h90 h GLN 203 CO 0.04 0.00 -1.24 0.77 -0.95 0.00 0.00 178.83 177.45 3h90 h SER 204 N 0.00 0.00 -0.09 1.46 0.02 -0.77 -3.02 113.55 111.15 3h90 h SER 204 Ca 0.11 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.85 3h90 h SER 204 Cb 0.55 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.09 3h90 h SER 204 CO -0.00 0.70 -0.73 -0.07 -1.14 0.00 0.00 176.83 175.59 3h90 h LEU 205 N 0.00 0.86 -9.68 5.07 3.38 0.06 -3.37 115.31 111.63 3h90 h LEU 205 Ca -0.14 -0.54 -0.52 0.00 0.09 0.00 0.00 57.88 56.76 3h90 h LEU 205 Cb 1.65 -0.25 0.03 0.00 0.09 0.00 0.00 40.66 42.18 3h90 h LEU 205 CO 0.07 1.33 0.65 -0.76 0.09 0.00 0.00 178.44 179.82 3h90 s LEU 206 N -8.38 4.42 -1.06 1.67 1.02 0.10 -4.92 118.68 111.53 3h90 s LEU 206 Ca -0.09 2.40 -0.19 0.00 0.02 0.00 0.00 54.13 56.27 3h90 s LEU 206 Cb 0.09 -3.61 -0.08 0.00 0.02 0.00 0.00 46.19 42.62 3h90 s LEU 206 CO 0.89 -0.52 2.02 0.47 0.02 0.00 0.00 176.35 179.23 3h90 n ASP 207 N 2.59 3.13 -4.77 2.29 10.43 -1.26 -4.71 116.55 124.25 3h90 n ASP 207 Ca 0.06 -2.75 -0.40 0.00 2.57 0.00 0.00 54.79 54.28 3h90 n ASP 207 Cb 0.43 -1.37 -0.02 0.00 1.84 0.00 0.00 41.12 42.00 3h90 n ASP 207 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3h90 s ARG 208 N 4.44 4.15 0.74 -1.24 3.52 -1.14 -4.85 118.95 124.56 3h90 s ARG 208 Ca 0.54 2.09 -0.12 0.00 -0.13 0.00 0.00 55.73 58.11 3h90 s ARG 208 Cb 0.13 -2.87 0.04 0.00 -1.56 0.00 0.00 34.95 30.69 3h90 s ARG 208 CO 0.05 -0.31 1.09 0.00 -0.81 0.00 0.00 175.30 175.32 3h90 s ALA 209 N -1.25 2.33 0.78 6.12 0.00 -1.26 -4.25 121.76 124.24 3h90 s ALA 209 Ca 0.54 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 3h90 s ALA 209 Cb -0.37 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.54 3h90 s ALA 209 CO 0.48 -1.60 1.14 -0.51 0.00 0.00 0.00 175.76 175.26 3h90 s LEU 210 N -5.60 3.11 0.52 0.00 1.43 -1.26 -4.91 118.68 111.97 3h90 s LEU 210 Ca 0.63 2.09 -0.22 0.00 -1.03 0.00 0.00 54.13 55.60 3h90 s LEU 210 Cb -0.18 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.42 3h90 s LEU 210 CO 0.52 -2.33 1.17 -0.81 0.23 0.00 0.00 176.35 175.12 3h90 n PRO 211 N -3.34 1.44 -0.34 1.29 -0.04 -1.26 -4.66 135.00 128.09 3h90 n PRO 211 Ca 0.11 0.53 0.19 0.00 -0.04 0.00 0.00 63.50 64.29 3h90 n PRO 211 Cb 0.52 -2.33 0.41 0.00 -0.04 0.00 0.00 33.50 32.06 3h90 n PRO 211 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3h90 h ASP 212 N 1.29 0.63 -0.29 3.54 5.19 -1.98 0.37 116.42 125.18 3h90 h ASP 212 Ca -0.49 0.12 0.07 0.00 -0.62 0.00 0.00 57.03 56.12 3h90 h ASP 212 Cb 1.33 0.03 -0.07 0.00 0.18 0.00 0.00 39.33 40.79 3h90 h ASP 212 CO 0.56 0.11 -0.21 -0.08 -3.12 0.00 0.00 179.24 176.49 3h90 h GLU 213 N 0.55 -0.18 -0.42 3.56 4.57 -1.99 0.23 114.58 120.90 3h90 h GLU 213 Ca 0.63 0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.72 3h90 h GLU 213 Cb 1.28 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 3h90 h GLU 213 CO -0.44 -0.12 -0.17 0.93 -1.18 0.00 0.00 179.01 178.03 3h90 h GLU 214 N -0.19 0.86 -0.84 1.92 5.08 -1.29 -1.70 114.58 118.43 3h90 h GLU 214 Ca 0.15 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3h90 h GLU 214 Cb 0.42 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 3h90 h GLU 214 CO -0.40 1.00 0.50 -0.09 -1.00 0.00 0.00 179.01 179.03 3h90 h ARG 215 N 0.68 1.13 -0.38 2.33 2.43 -1.09 -1.55 114.38 117.94 3h90 h ARG 215 Ca 0.10 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3h90 h ARG 215 Cb 0.73 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3h90 h ARG 215 CO 0.06 0.79 0.02 0.37 -1.51 0.00 0.00 179.97 179.70 3h90 h GLN 216 N 1.15 0.66 -0.59 0.20 5.75 -0.17 -2.57 115.11 119.56 3h90 h GLN 216 Ca 0.30 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 3h90 h GLN 216 Cb -0.05 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 3h90 h GLN 216 CO -0.06 0.75 0.24 0.93 -2.65 0.00 0.00 178.83 178.05 3h90 h GLU 217 N 0.49 0.87 -0.83 1.69 5.08 -0.81 -1.45 114.58 119.62 3h90 h GLU 217 Ca 0.11 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3h90 h GLU 217 Cb 0.44 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 3h90 h GLU 217 CO 0.02 0.74 0.54 0.82 -1.00 0.00 0.00 179.01 180.13 3h90 h ILE 218 N 0.81 1.15 -0.38 3.13 2.04 -1.30 -0.64 117.51 122.32 3h90 h ILE 218 Ca 0.20 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 3h90 h ILE 218 Cb 0.19 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 3h90 h ILE 218 CO -0.02 0.19 -0.04 -0.29 0.00 0.00 0.00 178.15 177.99 3h90 h ILE 219 N 1.06 1.23 -0.02 -0.67 6.09 -0.98 -2.21 117.51 122.02 3h90 h ILE 219 Ca 0.33 -0.96 -0.24 0.00 -1.37 0.00 0.00 64.86 62.62 3h90 h ILE 219 Cb -0.02 0.99 0.02 0.00 0.47 0.00 0.00 36.82 38.27 3h90 h ILE 219 CO -0.10 0.33 -0.92 0.44 -3.07 0.00 0.00 178.15 174.82 3h90 h ASP 220 N 0.59 0.84 -0.39 2.19 3.32 -0.54 -2.23 116.42 120.19 3h90 h ASP 220 Ca 0.12 -0.73 0.05 0.00 0.02 0.00 0.00 57.03 56.49 3h90 h ASP 220 Cb 0.44 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 3h90 h ASP 220 CO 0.02 1.46 0.11 0.40 -1.72 0.00 0.00 179.24 179.51 3h90 h ILE 221 N 0.31 0.84 0.03 0.35 2.04 -1.10 -3.06 117.51 116.93 3h90 h ILE 221 Ca -0.11 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 3h90 h ILE 221 Cb 1.58 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3h90 h ILE 221 CO 0.18 0.05 -0.01 0.58 0.00 0.00 0.00 178.15 178.94 3h90 h VAL 222 N 0.25 1.24 0.00 1.67 2.07 -1.36 -3.18 116.25 116.94 3h90 h VAL 222 Ca 0.19 -0.87 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 3h90 h VAL 222 Cb 0.20 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3h90 h VAL 222 CO -0.22 0.22 -0.36 0.71 0.02 0.00 0.00 177.57 177.95 3h90 h THR 223 N -0.42 0.71 0.00 2.57 1.35 -1.45 -3.12 112.91 112.55 3h90 h THR 223 Ca -0.00 -1.66 -0.19 0.00 -0.55 0.00 0.00 66.41 64.01 3h90 h THR 223 Cb 0.39 2.09 -0.03 0.00 -1.73 0.00 0.00 68.15 68.87 3h90 h THR 223 CO 0.01 0.35 -1.21 0.77 -0.25 0.00 0.00 175.52 175.18 3h90 h SER 224 N 0.00 0.00 -2.12 5.36 4.64 -1.63 -3.47 113.55 116.33 3h90 h SER 224 Ca -0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 3h90 h SER 224 Cb 1.06 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.22 3h90 h SER 224 CO 0.05 0.74 0.60 1.87 -0.87 0.00 0.00 176.83 179.22 3h90 n TRP 225 N -3.08 1.91 0.00 4.77 -0.00 -1.18 -4.93 117.44 114.92 3h90 n TRP 225 Ca -0.07 0.46 0.00 0.00 -0.00 0.00 0.00 57.50 57.89 3h90 n TRP 225 Cb 0.89 -2.43 0.00 0.00 -0.00 0.00 0.00 31.31 29.76 3h90 n TRP 225 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 3h90 n PRO 226 N 2.71 0.00 -0.15 5.87 -0.02 -1.26 -2.57 135.00 139.58 3h90 n PRO 226 Ca 0.16 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 62.24 3h90 n PRO 226 Cb 0.26 -0.76 0.45 0.00 -0.02 0.00 0.00 33.50 33.43 3h90 n PRO 226 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3h90 h GLY 227 N 0.00 0.79 -4.44 -1.23 0.00 -1.94 -3.44 103.07 92.80 3h90 h GLY 227 Ca 0.00 -0.22 -0.53 0.00 0.00 0.00 0.00 47.33 46.58 3h90 h GLY 227 CO 0.00 0.12 0.61 -1.34 0.00 0.00 0.00 176.54 175.93 3h90 s VAL 228 N -5.50 3.73 -0.11 4.60 -7.23 -1.06 -4.77 120.40 110.06 3h90 s VAL 228 Ca -0.09 1.28 0.16 0.00 -1.81 0.00 0.00 61.98 61.52 3h90 s VAL 228 Cb 0.20 -3.82 -0.22 0.00 0.56 0.00 0.00 36.38 33.10 3h90 s VAL 228 CO 0.76 0.12 0.50 -1.20 -0.31 0.00 0.00 175.10 174.98 3h90 n SER 229 N 3.67 0.53 -3.71 4.85 7.64 0.08 -4.90 113.62 121.79 3h90 n SER 229 Ca 0.09 0.24 -0.02 0.00 1.01 0.00 0.00 58.87 60.19 3h90 n SER 229 Cb 0.45 0.48 -0.01 0.00 -1.01 0.00 0.00 64.21 64.12 3h90 n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3h90 s GLY 230 N -5.10 -0.29 -0.05 0.23 0.00 -1.16 -4.98 107.32 95.97 3h90 s GLY 230 Ca -0.06 0.32 -0.02 0.00 0.00 0.00 0.00 44.72 44.96 3h90 s GLY 230 CO 0.83 0.05 0.10 0.00 0.00 0.00 0.00 173.10 174.08 3h90 s ALA 231 N -3.01 -0.17 0.00 3.20 0.00 -1.26 0.23 121.76 120.75 3h90 s ALA 231 Ca 0.13 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.56 3h90 s ALA 231 Cb 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.81 3h90 s ALA 231 CO 0.00 -0.11 0.00 -2.39 0.00 0.00 0.00 175.76 173.26 3h90 n HIS 232 N 3.88 0.00 -2.06 0.00 1.44 -0.85 -4.98 115.22 112.66 3h90 n HIS 232 Ca -0.23 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.05 3h90 n HIS 232 Cb 0.53 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.62 3h90 n HIS 232 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3h90 s ASP 233 N 0.73 6.23 -0.27 4.39 3.68 -1.26 -4.77 116.67 125.40 3h90 s ASP 233 Ca 0.00 1.58 0.01 0.00 2.13 0.00 0.00 52.55 56.27 3h90 s ASP 233 Cb 0.00 -2.53 0.08 0.00 -1.45 0.00 0.00 42.92 39.02 3h90 s ASP 233 CO 0.00 -1.38 0.00 -0.22 0.13 0.00 0.00 175.17 173.70 3h90 s LEU 234 N 5.68 2.78 -0.15 -1.34 1.98 -1.26 -2.11 118.68 124.26 3h90 s LEU 234 Ca 0.75 -1.42 -0.02 0.00 -2.89 0.00 0.00 54.13 50.56 3h90 s LEU 234 Cb -0.25 -1.15 -0.02 0.00 0.66 0.00 0.00 46.19 45.43 3h90 s LEU 234 CO 0.31 -0.30 -0.09 -0.13 -1.89 0.00 0.00 176.35 174.25 3h90 s ARG 235 N 1.39 3.48 0.15 1.98 0.52 -0.38 -4.99 118.95 121.10 3h90 s ARG 235 Ca 0.01 -0.62 0.06 0.00 -0.52 0.00 0.00 55.73 54.65 3h90 s ARG 235 Cb -0.18 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.47 3h90 s ARG 235 CO -0.11 0.16 -0.13 0.95 0.02 0.00 0.00 175.30 176.20 3h90 s THR 236 N 0.52 1.39 -0.28 0.02 -4.23 -1.26 -0.89 115.64 110.91 3h90 s THR 236 Ca -0.06 -1.96 -0.35 0.00 -1.18 0.00 0.00 61.69 58.14 3h90 s THR 236 Cb -0.15 -1.77 0.17 0.00 1.34 0.00 0.00 72.50 72.09 3h90 s THR 236 CO 0.03 -0.56 1.35 0.00 -0.54 0.00 0.00 174.62 174.90 3h90 s ARG 237 N -3.26 0.07 -0.02 3.99 1.70 -0.95 -4.06 118.95 116.41 3h90 s ARG 237 Ca 0.15 -0.01 0.04 0.00 -0.47 0.00 0.00 55.73 55.43 3h90 s ARG 237 Cb -0.02 0.03 -0.00 0.00 -0.57 0.00 0.00 34.95 34.39 3h90 s ARG 237 CO 0.03 -0.03 -0.13 1.14 -1.08 0.00 0.00 175.30 175.24 3h90 s GLN 238 N -1.73 1.20 -0.46 3.89 -2.07 -1.26 0.78 119.66 120.01 3h90 s GLN 238 Ca 0.10 -0.45 -0.09 0.00 -1.82 0.00 0.00 55.36 53.10 3h90 s GLN 238 Cb -0.01 -1.11 0.11 0.00 -1.09 0.00 0.00 33.01 30.91 3h90 s GLN 238 CO -0.04 0.22 0.32 -1.54 -1.32 0.00 0.00 175.29 172.93 3h90 s SER 239 N -0.08 5.69 1.66 12.60 1.04 -0.78 -4.97 113.70 128.85 3h90 s SER 239 Ca 0.01 -1.80 0.00 0.00 0.48 0.00 0.00 55.95 54.64 3h90 s SER 239 Cb -0.08 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.04 3h90 s SER 239 CO 0.00 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.18 3h90 n GLY 240 N 4.91 3.05 0.13 7.32 0.00 -1.23 -3.22 105.19 116.16 3h90 n GLY 240 Ca -0.08 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 3h90 n GLY 240 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h90 h PRO 241 N 0.00 0.24 -6.14 1.61 0.14 -1.93 -3.45 132.00 122.47 3h90 h PRO 241 Ca 0.00 -0.27 -0.56 0.00 0.14 0.00 0.00 66.00 65.30 3h90 h PRO 241 Cb 0.00 0.08 -0.05 0.00 0.14 0.00 0.00 31.00 31.17 3h90 h PRO 241 CO 0.00 1.00 0.02 0.95 0.14 0.00 0.00 178.00 180.12 3h90 s THR 242 N -3.18 4.85 -0.03 1.56 -4.23 -1.20 -4.95 115.64 108.46 3h90 s THR 242 Ca -0.03 1.33 -0.14 0.00 -1.18 0.00 0.00 61.69 61.67 3h90 s THR 242 Cb 0.10 -3.97 -0.05 0.00 1.34 0.00 0.00 72.50 69.91 3h90 s THR 242 CO 0.84 0.41 0.37 -0.13 -0.54 0.00 0.00 174.62 175.58 3h90 s ARG 243 N -0.22 3.92 -0.13 3.99 0.52 -1.26 -1.87 118.95 123.90 3h90 s ARG 243 Ca 0.33 0.33 -0.05 0.00 -0.52 0.00 0.00 55.73 55.81 3h90 s ARG 243 Cb -0.19 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 3h90 s ARG 243 CO 0.19 0.63 0.06 -0.06 0.02 0.00 0.00 175.30 176.13 3h90 s PHE 244 N -0.83 3.32 -0.06 -0.53 0.40 0.23 0.16 117.98 120.67 3h90 s PHE 244 Ca 0.22 0.25 -0.02 0.00 -0.60 0.00 0.00 56.93 56.78 3h90 s PHE 244 Cb -0.16 -1.93 0.04 0.00 0.51 0.00 0.00 43.02 41.48 3h90 s PHE 244 CO 0.11 0.44 0.11 0.42 0.70 0.00 0.00 175.22 177.00 3h90 s ILE 245 N -0.51 -0.16 0.02 0.64 1.01 0.50 -2.25 121.20 120.45 3h90 s ILE 245 Ca 0.10 0.35 0.09 0.00 0.00 0.00 0.00 60.65 61.19 3h90 s ILE 245 Cb -0.12 -0.21 -0.03 0.00 0.01 0.00 0.00 42.46 42.12 3h90 s ILE 245 CO 0.02 0.15 -0.26 0.00 0.00 0.00 0.00 174.94 174.85 3h90 s GLN 246 N 2.01 1.87 0.08 2.79 -2.07 -0.07 -0.65 119.66 123.62 3h90 s GLN 246 Ca 0.01 -1.03 -0.10 0.00 -1.82 0.00 0.00 55.36 52.43 3h90 s GLN 246 Cb -0.12 -1.95 0.00 0.00 -1.09 0.00 0.00 33.01 29.85 3h90 s GLN 246 CO -0.04 0.52 0.22 -1.50 -1.32 0.00 0.00 175.29 173.16 3h90 s ILE 247 N -0.73 0.12 -0.13 3.63 2.07 -1.00 -1.25 121.20 123.92 3h90 s ILE 247 Ca 0.11 -1.03 -0.03 0.00 -1.41 0.00 0.00 60.65 58.29 3h90 s ILE 247 Cb -0.10 -1.20 -0.03 0.00 0.13 0.00 0.00 42.46 41.26 3h90 s ILE 247 CO 0.01 -0.57 -0.01 -1.00 -1.91 0.00 0.00 174.94 171.46 3h90 s HIS 248 N -3.46 3.11 -0.13 3.50 3.76 -0.90 -1.00 115.29 120.18 3h90 s HIS 248 Ca 0.02 -0.03 0.01 0.00 -0.15 0.00 0.00 55.06 54.90 3h90 s HIS 248 Cb 0.03 -1.90 -0.01 0.00 1.11 0.00 0.00 32.58 31.80 3h90 s HIS 248 CO -0.09 0.21 -0.15 -1.17 -0.85 0.00 0.00 174.74 172.69 3h90 s LEU 249 N -0.16 2.59 -0.21 0.89 2.96 -0.08 -2.00 118.68 122.66 3h90 s LEU 249 Ca 0.04 -0.38 -0.15 0.00 -0.22 0.00 0.00 54.13 53.42 3h90 s LEU 249 Cb -0.13 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 3h90 s LEU 249 CO 0.02 0.16 0.37 -1.61 -1.32 0.00 0.00 176.35 173.97 3h90 s GLU 250 N 0.38 4.16 0.29 1.98 2.02 0.14 -0.15 118.70 127.52 3h90 s GLU 250 Ca -0.12 0.14 0.02 0.00 0.02 0.00 0.00 54.97 55.04 3h90 s GLU 250 Cb -0.16 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 3h90 s GLU 250 CO 0.06 -0.03 0.14 -1.64 0.02 0.00 0.00 175.26 173.80 3h90 s MET 251 N 1.30 1.54 0.26 1.61 -1.94 -0.45 -0.74 119.30 120.88 3h90 s MET 251 Ca 0.18 -1.87 -0.30 0.00 -1.71 0.00 0.00 55.69 51.98 3h90 s MET 251 Cb -0.15 -0.16 -0.11 0.00 2.01 0.00 0.00 34.83 36.42 3h90 s MET 251 CO 0.08 -0.40 1.60 -2.00 -0.01 0.00 0.00 175.02 174.28 3h90 s GLU 252 N -3.89 4.14 0.29 2.03 2.12 -1.26 -4.21 118.70 117.92 3h90 s GLU 252 Ca 0.36 2.54 0.01 0.00 0.36 0.00 0.00 54.97 58.24 3h90 s GLU 252 Cb 0.06 -3.05 0.68 0.00 0.26 0.00 0.00 34.13 32.08 3h90 s GLU 252 CO 0.16 -0.63 1.63 -0.44 -0.54 0.00 0.00 175.26 175.44 3h90 h ASP 253 N 5.37 -0.14 1.78 -1.70 3.45 -1.94 -2.29 116.42 120.95 3h90 h ASP 253 Ca -0.46 0.21 -0.01 0.00 0.43 0.00 0.00 57.03 57.21 3h90 h ASP 253 Cb 1.22 0.32 -0.00 0.00 -0.56 0.00 0.00 39.33 40.30 3h90 h ASP 253 CO 0.83 -0.20 -0.22 0.77 -1.57 0.00 0.00 179.24 178.85 3h90 h SER 254 N 0.15 0.00 -2.03 6.45 4.64 -2.02 -3.47 113.55 117.28 3h90 h SER 254 Ca 0.54 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 61.22 3h90 h SER 254 Cb 1.09 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.25 3h90 h SER 254 CO -0.70 0.04 0.44 0.18 -0.87 0.00 0.00 176.83 175.91 3h90 n LEU 255 N -3.03 1.99 -4.76 5.97 4.77 -0.86 -4.95 117.00 116.12 3h90 n LEU 255 Ca 0.03 1.13 -0.34 0.00 -0.03 0.00 0.00 56.01 56.80 3h90 n LEU 255 Cb 0.55 -1.27 0.04 0.00 -2.33 0.00 0.00 43.42 40.42 3h90 n LEU 255 CO 0.36 -0.98 0.76 -2.84 -1.33 0.00 0.00 177.39 173.35 3h90 s PRO 256 N -0.00 2.82 0.16 3.23 0.02 -1.26 -4.80 135.00 135.18 3h90 s PRO 256 Ca 0.76 1.50 -0.19 0.00 0.02 0.00 0.00 61.00 63.09 3h90 s PRO 256 Cb -0.83 -1.94 0.08 0.00 0.02 0.00 0.00 34.50 31.82 3h90 s PRO 256 CO 0.49 -1.25 1.64 1.25 -0.33 0.00 0.00 177.00 178.80 3h90 h LEU 257 N 0.25 -0.61 -1.50 -5.54 6.46 -1.98 -1.29 115.31 111.09 3h90 h LEU 257 Ca -0.48 0.14 0.20 0.00 -0.12 0.00 0.00 57.88 57.63 3h90 h LEU 257 Cb 1.26 0.33 -0.07 0.00 -0.73 0.00 0.00 40.66 41.45 3h90 h LEU 257 CO 0.54 -0.22 0.60 1.62 -0.62 0.00 0.00 178.44 180.36 3h90 h VAL 258 N -0.13 0.68 0.07 1.05 3.04 -1.99 0.40 116.25 119.37 3h90 h VAL 258 Ca 0.18 -0.14 -0.29 0.00 -1.01 0.00 0.00 66.70 65.44 3h90 h VAL 258 Cb 0.40 0.23 -0.02 0.00 -2.01 0.00 0.00 31.29 29.89 3h90 h VAL 258 CO -0.43 0.07 -1.50 1.56 -1.01 0.00 0.00 177.57 176.27 3h90 h GLN 259 N 0.41 0.15 -0.55 4.17 4.20 -1.73 -3.02 115.11 118.74 3h90 h GLN 259 Ca 0.47 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.82 3h90 h GLN 259 Cb 1.17 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 3h90 h GLN 259 CO -0.18 0.96 -0.08 0.00 -0.67 0.00 0.00 178.83 178.86 3h90 h ALA 260 N 0.68 0.81 0.00 3.87 0.00 0.23 -2.78 119.26 122.07 3h90 h ALA 260 Ca -0.22 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 3h90 h ALA 260 Cb 1.97 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 3h90 h ALA 260 CO 0.13 0.67 -0.25 1.25 0.00 0.00 0.00 179.25 181.05 3h90 h HIS 261 N 0.91 0.00 0.01 0.00 -0.00 -0.41 -1.73 115.15 113.93 3h90 h HIS 261 Ca 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 3h90 h HIS 261 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.05 3h90 h HIS 261 CO 0.04 0.25 -0.01 0.52 -0.00 0.00 0.00 177.93 178.73 3h90 h MET 262 N 0.00 -0.02 -0.33 5.26 2.07 -1.36 -0.94 114.93 119.62 3h90 h MET 262 Ca -0.00 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.58 3h90 h MET 262 Cb 0.47 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.18 3h90 h MET 262 CO 0.03 0.34 -0.00 -0.24 1.07 0.00 0.00 176.91 178.11 3h90 h VAL 263 N -0.38 1.20 -0.30 -2.22 3.04 -1.34 0.90 116.25 117.14 3h90 h VAL 263 Ca -0.00 -0.78 0.06 0.00 -1.01 0.00 0.00 66.70 64.97 3h90 h VAL 263 Cb 0.37 0.95 -0.06 0.00 -2.01 0.00 0.00 31.29 30.54 3h90 h VAL 263 CO 0.00 0.27 -0.07 0.00 -1.01 0.00 0.00 177.57 176.76 3h90 h ALA 264 N 1.51 0.21 -0.33 3.17 0.00 -1.11 0.40 119.26 123.11 3h90 h ALA 264 Ca 0.11 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3h90 h ALA 264 Cb 0.33 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3h90 h ALA 264 CO 0.01 -0.46 -0.18 -0.44 0.00 0.00 0.00 179.25 178.19 3h90 h ASP 265 N 0.01 0.73 -0.49 0.00 3.32 -0.54 0.93 116.42 120.38 3h90 h ASP 265 Ca 0.14 -0.41 0.08 0.00 0.02 0.00 0.00 57.03 56.86 3h90 h ASP 265 Cb 0.22 -0.20 -0.10 0.00 0.22 0.00 0.00 39.33 39.47 3h90 h ASP 265 CO -0.30 0.98 -0.39 1.56 -1.72 0.00 0.00 179.24 179.36 3h90 h GLN 266 N 0.48 -0.25 -0.75 3.56 4.20 -0.46 -0.64 115.11 121.25 3h90 h GLN 266 Ca 0.07 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3h90 h GLN 266 Cb 0.71 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.51 3h90 h GLN 266 CO 0.05 -0.16 0.45 0.28 -0.67 0.00 0.00 178.83 178.78 3h90 h VAL 267 N -0.26 1.21 -0.80 -0.54 2.07 -0.66 -0.90 116.25 116.38 3h90 h VAL 267 Ca 0.17 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 67.29 3h90 h VAL 267 Cb 0.57 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 3h90 h VAL 267 CO -0.62 0.22 0.48 -0.08 0.02 0.00 0.00 177.57 177.59 3h90 h GLU 268 N 1.02 0.85 -0.01 1.57 4.81 -0.17 -1.81 114.58 120.84 3h90 h GLU 268 Ca 0.27 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.26 3h90 h GLU 268 Cb -0.04 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 3h90 h GLU 268 CO -0.05 0.56 -0.82 0.37 -0.73 0.00 0.00 179.01 178.34 3h90 h GLN 269 N 0.87 0.15 -0.83 1.92 4.15 -0.72 -1.98 115.11 118.67 3h90 h GLN 269 Ca 0.35 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.60 3h90 h GLN 269 Cb 0.19 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.88 3h90 h GLN 269 CO -0.18 0.89 0.43 0.00 -1.93 0.00 0.00 178.83 178.03 3h90 h ALA 270 N 1.06 1.18 -0.07 3.38 0.00 -0.45 0.23 119.26 124.59 3h90 h ALA 270 Ca -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3h90 h ALA 270 Cb 1.43 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3h90 h ALA 270 CO 0.12 0.64 0.02 0.82 0.00 0.00 0.00 179.25 180.85 3h90 h ILE 271 N 1.18 1.18 -0.14 0.00 5.03 -1.22 -2.92 117.51 120.61 3h90 h ILE 271 Ca 0.29 -0.55 0.03 0.00 -0.12 0.00 0.00 64.86 64.51 3h90 h ILE 271 Cb 0.07 1.42 -0.01 0.00 -3.03 0.00 0.00 36.82 35.27 3h90 h ILE 271 CO -0.04 0.15 0.10 -0.07 -0.68 0.00 0.00 178.15 177.61 3h90 h LEU 272 N -0.09 0.06 0.79 1.44 4.07 -1.05 0.21 115.31 120.73 3h90 h LEU 272 Ca 0.02 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 3h90 h LEU 272 Cb 0.23 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 41.96 3h90 h LEU 272 CO -0.00 0.04 -0.38 -0.09 -1.08 0.00 0.00 178.44 176.93 3h90 h ARG 273 N 0.07 -1.02 -0.01 1.13 2.43 -0.89 -2.68 114.38 113.41 3h90 h ARG 273 Ca 0.06 0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 3h90 h ARG 273 Cb 0.17 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3h90 h ARG 273 CO -0.01 -0.68 -0.29 -0.09 -1.51 0.00 0.00 179.97 177.39 3h90 h ARG 274 N -1.25 0.02 -2.80 0.20 9.65 -1.17 -3.32 114.38 115.72 3h90 h ARG 274 Ca -0.11 -0.01 -0.60 0.00 -1.10 0.00 0.00 59.98 58.16 3h90 h ARG 274 Cb 0.81 -0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 28.99 3h90 h ARG 274 CO 0.18 0.31 -0.78 -0.06 2.80 0.00 0.00 179.97 182.41 3h90 s PHE 275 N -4.38 1.89 0.70 2.20 0.08 0.66 -5.11 117.98 114.03 3h90 s PHE 275 Ca -0.03 -2.47 -0.14 0.00 0.12 0.00 0.00 56.93 54.40 3h90 s PHE 275 Cb 0.15 -1.67 0.02 0.00 -0.57 0.00 0.00 43.02 40.95 3h90 s PHE 275 CO 0.72 -0.76 1.14 -1.25 -0.10 0.00 0.00 175.22 174.97 3h90 s PRO 276 N 0.03 2.47 0.00 0.24 0.04 -1.01 -3.23 135.00 133.54 3h90 s PRO 276 Ca 0.23 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3h90 s PRO 276 Cb -0.13 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3h90 s PRO 276 CO -0.08 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 175.84 3h90 n GLY 277 N -0.24 2.78 3.71 0.56 0.00 -1.26 -4.94 105.19 105.80 3h90 n GLY 277 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3h90 n GLY 277 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h90 s SER 278 N -1.92 3.55 -0.24 1.61 0.01 -1.20 -4.51 113.70 111.00 3h90 s SER 278 Ca 0.00 1.90 0.01 0.00 1.31 0.00 0.00 55.95 59.18 3h90 s SER 278 Cb 0.00 -2.48 0.06 0.00 0.21 0.00 0.00 66.02 63.81 3h90 s SER 278 CO 0.00 -2.66 -0.07 -0.62 0.41 0.00 0.00 173.24 170.31 3h90 s ASP 279 N -3.07 4.01 0.24 2.44 3.68 0.12 -4.92 116.67 119.17 3h90 s ASP 279 Ca 0.64 -1.24 0.09 0.00 2.13 0.00 0.00 52.55 54.17 3h90 s ASP 279 Cb -0.20 -1.27 -0.04 0.00 -1.45 0.00 0.00 42.92 39.96 3h90 s ASP 279 CO 0.57 -0.23 -0.05 0.68 0.13 0.00 0.00 175.17 176.28 3h90 s VAL 280 N 1.32 3.31 -0.06 1.11 -7.23 -1.26 -0.37 120.40 117.22 3h90 s VAL 280 Ca -0.06 -1.86 -0.03 0.00 -1.81 0.00 0.00 61.98 58.22 3h90 s VAL 280 Cb -0.19 -2.73 0.04 0.00 0.56 0.00 0.00 36.38 34.06 3h90 s VAL 280 CO -0.06 -0.29 0.14 -0.51 -0.31 0.00 0.00 175.10 174.07 3h90 s ILE 281 N -2.13 -0.05 -0.14 -0.62 2.07 0.18 -4.94 121.20 115.56 3h90 s ILE 281 Ca 0.29 0.19 -0.03 0.00 -1.41 0.00 0.00 60.65 59.69 3h90 s ILE 281 Cb -0.07 -0.23 -0.03 0.00 0.13 0.00 0.00 42.46 42.26 3h90 s ILE 281 CO 0.18 0.08 -0.06 -0.63 -1.91 0.00 0.00 174.94 172.60 3h90 s ILE 282 N 1.19 3.72 -0.28 2.00 -1.09 -1.26 -2.36 121.20 123.12 3h90 s ILE 282 Ca -0.09 -0.42 -0.09 0.00 -2.23 0.00 0.00 60.65 57.82 3h90 s ILE 282 Cb -0.12 -2.61 -0.02 0.00 -1.58 0.00 0.00 42.46 38.13 3h90 s ILE 282 CO -0.06 0.51 0.12 -2.28 -1.23 0.00 0.00 174.94 172.00 3h90 s HIS 283 N 0.26 3.14 -0.31 3.97 5.65 -0.17 -4.98 115.29 122.84 3h90 s HIS 283 Ca -0.04 -0.41 -0.13 0.00 0.25 0.00 0.00 55.06 54.73 3h90 s HIS 283 Cb -0.14 -2.30 -0.03 0.00 -1.18 0.00 0.00 32.58 28.93 3h90 s HIS 283 CO 0.03 -0.37 0.26 1.14 -0.65 0.00 0.00 174.74 175.15 3h90 s GLN 284 N 1.63 3.70 -0.08 2.88 0.00 -1.26 -0.90 119.66 125.63 3h90 s GLN 284 Ca 0.06 -0.43 -0.03 0.00 -0.00 0.00 0.00 55.36 54.95 3h90 s GLN 284 Cb -0.16 -3.75 -0.04 0.00 0.00 0.00 0.00 33.01 29.07 3h90 s GLN 284 CO 0.06 -0.36 0.07 -0.51 0.00 0.00 0.00 175.29 174.54 3h90 s ASP 285 N 1.73 5.71 0.00 12.60 1.01 0.79 -4.94 116.67 133.57 3h90 s ASP 285 Ca 0.08 0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.59 3h90 s ASP 285 Cb -0.17 -1.70 0.00 0.00 1.01 0.00 0.00 42.92 42.06 3h90 s ASP 285 CO 0.11 0.36 0.00 -2.65 0.21 0.00 0.00 175.17 173.20 3h90 n PRO 286 N 1.87 0.00 -3.85 8.23 -0.02 -1.26 -1.34 135.00 138.63 3h90 n PRO 286 Ca -0.18 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.00 3h90 n PRO 286 Cb 0.54 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.87 3h90 n PRO 286 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h90 n SER 288 N 4.53 -1.32 -3.75 0.00 3.41 -1.26 -5.05 113.62 110.18 3h90 n SER 288 Ca 0.01 -3.23 -0.10 0.00 -0.26 0.00 0.00 58.87 55.29 3h90 n SER 288 Cb 0.41 0.83 -0.04 0.00 -0.26 0.00 0.00 64.21 65.16 3h90 n SER 288 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3h90 s VAL 289 N -0.47 0.02 -1.49 -3.33 -7.23 -1.26 -5.17 120.40 101.47 3h90 s VAL 289 Ca 0.31 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.67 3h90 s VAL 289 Cb 0.26 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.59 3h90 s VAL 289 CO -0.13 -0.11 0.37 0.55 -0.31 0.00 0.00 175.10 175.47