#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h47 s ILE 2 N 0.00 3.94 0.22 4.25 -1.09 0.41 0.12 121.20 129.05 3h47 s ILE 2 Ca 0.00 -0.33 -0.04 0.00 -2.23 0.00 0.00 60.65 58.05 3h47 s ILE 2 Cb 0.00 -2.75 -0.03 0.00 -1.58 0.00 0.00 42.46 38.10 3h47 s ILE 2 CO 0.00 0.47 0.24 0.68 -1.23 0.00 0.00 174.94 175.10 3h47 s VAL 3 N 0.63 0.00 0.37 2.92 -7.23 -0.35 -4.74 120.40 112.00 3h47 s VAL 3 Ca -0.01 -1.83 -0.23 0.00 -1.81 0.00 0.00 61.98 58.09 3h47 s VAL 3 Cb -0.14 -2.43 -0.10 0.00 0.56 0.00 0.00 36.38 34.27 3h47 s VAL 3 CO 0.02 0.00 0.94 -1.10 -0.31 0.00 0.00 175.10 174.65 3h47 s GLN 4 N -4.05 4.41 -0.07 4.82 -0.21 -1.26 -0.22 119.66 123.08 3h47 s GLN 4 Ca 0.34 1.21 0.00 0.00 0.02 0.00 0.00 55.36 56.94 3h47 s GLN 4 Cb 0.05 -2.52 -0.05 0.00 1.00 0.00 0.00 33.01 31.48 3h47 s GLN 4 CO 0.12 0.14 -0.07 0.27 -2.12 0.00 0.00 175.29 173.64 3h47 n ASN 5 N 0.02 3.34 -1.12 5.90 0.23 -1.26 -4.88 115.26 117.48 3h47 n ASN 5 Ca 0.04 -0.04 0.00 0.00 -0.53 0.00 0.00 54.58 54.06 3h47 n ASN 5 Cb 0.52 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 3h47 n ASN 5 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h47 n GLN 9 N -2.73 -0.82 -2.45 -3.83 0.00 -1.26 -5.09 117.38 101.19 3h47 n GLN 9 Ca -0.13 0.62 -0.42 0.00 0.00 0.00 0.00 57.00 57.07 3h47 n GLN 9 Cb 0.64 -1.14 -0.03 0.00 0.00 0.00 0.00 30.24 29.72 3h47 n GLN 9 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 3h47 s MET 10 N -3.46 4.37 0.05 2.61 -1.94 -1.26 -4.93 119.30 114.73 3h47 s MET 10 Ca 0.00 1.70 -0.00 0.00 -1.71 0.00 0.00 55.69 55.67 3h47 s MET 10 Cb 0.00 -3.52 -0.04 0.00 2.01 0.00 0.00 34.83 33.28 3h47 s MET 10 CO 0.00 -0.41 -0.03 0.14 -0.01 0.00 0.00 175.02 174.70 3h47 s VAL 11 N 2.01 0.24 0.18 -6.03 -7.23 0.70 -4.93 120.40 105.33 3h47 s VAL 11 Ca 0.57 -1.59 -0.30 0.00 -1.81 0.00 0.00 61.98 58.85 3h47 s VAL 11 Cb -0.26 -1.21 -0.08 0.00 0.56 0.00 0.00 36.38 35.39 3h47 s VAL 11 CO 0.23 -0.86 1.11 -2.28 -0.31 0.00 0.00 175.10 173.00 3h47 s HIS 12 N -3.26 3.58 -0.02 2.82 5.65 -1.26 -1.21 115.29 121.59 3h47 s HIS 12 Ca 0.02 1.58 0.07 0.00 0.25 0.00 0.00 55.06 56.97 3h47 s HIS 12 Cb 0.03 -3.29 -0.02 0.00 -1.18 0.00 0.00 32.58 28.13 3h47 s HIS 12 CO -0.07 -0.66 -0.22 -0.65 -0.65 0.00 0.00 174.74 172.49 3h47 s GLN 13 N -0.35 1.85 0.41 2.88 -0.21 0.12 -4.93 119.66 119.42 3h47 s GLN 13 Ca 0.50 -0.79 -0.26 0.00 0.02 0.00 0.00 55.36 54.82 3h47 s GLN 13 Cb -0.30 -1.76 -0.10 0.00 1.00 0.00 0.00 33.01 31.86 3h47 s GLN 13 CO 0.35 0.45 1.38 0.00 -2.12 0.00 0.00 175.29 175.35 3h47 s ILE 15 N -1.16 2.46 0.32 0.00 2.07 -1.26 -4.61 121.20 119.03 3h47 s ILE 15 Ca 0.58 0.44 -0.16 0.00 -1.41 0.00 0.00 60.65 60.10 3h47 s ILE 15 Cb -0.49 -3.28 -0.09 0.00 0.13 0.00 0.00 42.46 38.73 3h47 s ILE 15 CO 0.60 0.09 0.75 -0.94 -1.91 0.00 0.00 174.94 173.53 3h47 s SER 16 N -0.10 6.80 0.39 4.50 1.04 -1.26 -4.94 113.70 120.13 3h47 s SER 16 Ca 0.54 1.31 0.09 0.00 0.48 0.00 0.00 55.95 58.37 3h47 s SER 16 Cb -0.43 -2.39 0.86 0.00 0.10 0.00 0.00 66.02 64.17 3h47 s SER 16 CO 0.53 -0.20 1.94 -0.65 0.98 0.00 0.00 173.24 175.85 3h47 h PRO 17 N 2.32 0.60 -0.30 4.02 0.11 -1.99 -0.05 132.00 136.71 3h47 h PRO 17 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3h47 h PRO 17 Cb 1.18 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3h47 h PRO 17 CO 0.65 0.40 0.17 0.00 -0.21 0.00 0.00 178.00 179.01 3h47 h ARG 18 N 0.62 0.42 -0.31 1.05 3.08 -1.99 -0.86 114.38 116.40 3h47 h ARG 18 Ca 0.33 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 3h47 h ARG 18 Cb 0.47 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3h47 h ARG 18 CO -0.12 0.36 0.13 1.15 -1.07 0.00 0.00 179.97 180.42 3h47 h THR 19 N 0.37 1.18 -0.36 2.04 2.02 -1.71 -1.15 112.91 115.29 3h47 h THR 19 Ca 0.11 -0.53 0.04 0.00 0.77 0.00 0.00 66.41 66.80 3h47 h THR 19 Cb 0.05 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 3h47 h THR 19 CO -0.02 0.18 0.14 -0.07 0.37 0.00 0.00 175.52 176.12 3h47 h LEU 20 N 0.35 0.16 -0.36 2.58 3.38 -0.91 -2.38 115.31 118.13 3h47 h LEU 20 Ca 0.10 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 3h47 h LEU 20 Cb 0.17 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3h47 h LEU 20 CO -0.01 0.13 -0.26 -1.13 0.09 0.00 0.00 178.44 177.25 3h47 h ASN 21 N 0.29 0.86 -0.49 -0.43 -1.24 -1.05 -2.73 115.58 110.78 3h47 h ASN 21 Ca 0.16 -0.44 0.07 0.00 0.71 0.00 0.00 56.30 56.81 3h47 h ASN 21 Cb 0.13 -0.24 -0.06 0.00 0.73 0.00 0.00 38.32 38.88 3h47 h ASN 21 CO -0.16 1.11 0.16 0.00 -1.29 0.00 0.00 177.43 177.25 3h47 h ALA 22 N 0.77 0.59 0.14 1.57 0.00 -1.03 -0.03 119.26 121.27 3h47 h ALA 22 Ca 0.07 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3h47 h ALA 22 Cb 0.83 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3h47 h ALA 22 CO 0.07 -0.24 -0.07 2.35 0.00 0.00 0.00 179.25 181.37 3h47 h TRP 23 N 0.33 -0.17 -0.97 0.00 -0.00 -1.40 -1.26 115.95 112.47 3h47 h TRP 23 Ca 0.24 -0.00 0.10 0.00 -0.00 0.00 0.00 58.89 59.22 3h47 h TRP 23 Cb 0.27 0.06 -0.08 0.00 -0.00 0.00 0.00 29.16 29.41 3h47 h TRP 23 CO -0.17 0.12 0.61 0.28 -0.00 0.00 0.00 178.44 179.28 3h47 h VAL 24 N -0.47 0.96 -0.34 2.65 2.07 -1.30 -2.37 116.25 117.46 3h47 h VAL 24 Ca -0.02 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 3h47 h VAL 24 Cb 0.37 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3h47 h VAL 24 CO 0.03 0.18 -0.19 0.11 0.02 0.00 0.00 177.57 177.72 3h47 h LYS 25 N 1.01 0.73 -0.88 1.57 1.79 -0.87 -1.92 116.57 118.00 3h47 h LYS 25 Ca 0.46 -0.33 -0.00 0.00 -2.18 0.00 0.00 60.65 58.60 3h47 h LYS 25 Cb 0.38 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.97 3h47 h LYS 25 CO -0.24 0.94 0.54 -0.39 -1.08 0.00 0.00 179.45 179.22 3h47 h VAL 26 N 0.50 1.24 -0.45 0.50 -1.51 -0.85 0.99 116.25 116.67 3h47 h VAL 26 Ca 0.07 -0.51 -0.09 0.00 -1.23 0.00 0.00 66.70 64.94 3h47 h VAL 26 Cb 0.74 -0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 29.88 3h47 h VAL 26 CO 0.06 0.25 -0.08 0.58 -1.23 0.00 0.00 177.57 177.15 3h47 h VAL 27 N 1.21 1.27 -0.95 7.19 2.07 -1.36 0.32 116.25 125.99 3h47 h VAL 27 Ca 0.32 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3h47 h VAL 27 Cb -0.06 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3h47 h VAL 27 CO -0.06 0.40 0.61 -0.33 0.02 0.00 0.00 177.57 178.21 3h47 h GLU 28 N 0.68 1.27 0.00 1.57 5.08 -0.83 -1.09 114.58 121.26 3h47 h GLU 28 Ca 0.12 -0.09 -0.25 0.00 -1.00 0.00 0.00 59.36 58.13 3h47 h GLU 28 Cb 0.60 -0.28 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3h47 h GLU 28 CO 0.04 0.86 -1.55 0.93 -1.00 0.00 0.00 179.01 178.29 3h47 h GLU 29 N 1.30 0.00 0.00 2.33 5.08 -0.57 -3.40 114.58 119.31 3h47 h GLU 29 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3h47 h GLU 29 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3h47 h GLU 29 CO -0.07 0.50 0.00 1.63 -1.00 0.00 0.00 179.01 180.07 3h47 n LYS 30 N -3.05 4.36 0.00 2.33 4.76 0.11 -5.08 118.16 121.60 3h47 n LYS 30 Ca -0.13 -0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 3h47 n LYS 30 Cb 0.99 -0.63 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 3h47 n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h47 n ALA 31 N -0.66 0.00 -1.64 7.82 0.00 -0.41 -1.87 120.51 123.74 3h47 n ALA 31 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3h47 n ALA 31 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 3h47 n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h47 n PHE 32 N 14.00 2.72 -1.73 0.00 3.72 -1.26 -4.72 117.46 130.19 3h47 n PHE 32 Ca 0.00 -2.45 -0.38 0.00 -0.05 0.00 0.00 57.45 54.57 3h47 n PHE 32 Cb 0.00 -0.83 0.05 0.00 -0.94 0.00 0.00 39.48 37.76 3h47 n PHE 32 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3h47 n SER 33 N -0.87 2.29 0.05 4.37 2.88 -0.78 -4.50 113.62 117.05 3h47 n SER 33 Ca 0.51 0.91 0.13 0.00 -1.33 0.00 0.00 58.87 59.08 3h47 n SER 33 Cb 0.88 -1.55 0.59 0.00 -0.75 0.00 0.00 64.21 63.38 3h47 n SER 33 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3h47 h PRO 34 N 1.01 0.18 0.00 -1.46 0.11 -1.92 -1.81 132.00 128.11 3h47 h PRO 34 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3h47 h PRO 34 Cb 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3h47 h PRO 34 CO 0.55 0.12 0.00 -0.85 -0.21 0.00 0.00 178.00 177.61 3h47 n GLU 35 N -4.46 0.16 0.19 1.05 0.00 -1.26 -2.39 120.64 113.93 3h47 n GLU 35 Ca 0.06 0.15 0.05 0.00 0.00 0.00 0.00 57.16 57.42 3h47 n GLU 35 Cb 0.33 -1.50 0.37 0.00 0.00 0.00 0.00 31.44 30.65 3h47 n GLU 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3h47 h VAL 36 N 0.00 0.96 -0.00 3.84 2.07 -1.67 -3.17 116.25 118.28 3h47 h VAL 36 Ca 0.00 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 3h47 h VAL 36 Cb 0.21 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3h47 h VAL 36 CO 0.00 0.36 -0.00 0.40 0.02 0.00 0.00 177.57 178.35 3h47 h ILE 37 N 0.00 1.29 -0.48 4.57 1.08 -1.68 0.72 117.51 123.01 3h47 h ILE 37 Ca -0.00 -0.86 0.01 0.00 -0.39 0.00 0.00 64.86 63.61 3h47 h ILE 37 Cb 0.80 1.88 -0.02 0.00 -3.07 0.00 0.00 36.82 36.41 3h47 h ILE 37 CO 0.05 0.22 0.32 -0.65 -0.69 0.00 0.00 178.15 177.40 3h47 h PRO 38 N -0.36 0.61 -0.35 2.37 0.11 -1.76 -0.76 132.00 131.86 3h47 h PRO 38 Ca 0.00 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 3h47 h PRO 38 Cb 0.37 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3h47 h PRO 38 CO 0.00 0.40 0.02 1.98 -0.21 0.00 0.00 178.00 180.20 3h47 h MET 39 N 0.63 0.60 -0.42 1.05 4.05 -1.49 -1.97 114.93 117.38 3h47 h MET 39 Ca 0.18 -0.18 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 3h47 h MET 39 Cb -0.04 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.66 3h47 h MET 39 CO -0.04 0.70 0.21 0.35 0.23 0.00 0.00 176.91 178.36 3h47 h PHE 40 N 0.42 0.39 -0.76 1.39 3.57 -0.16 0.22 116.94 122.02 3h47 h PHE 40 Ca 0.10 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3h47 h PHE 40 Cb 0.41 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 3h47 h PHE 40 CO 0.03 0.20 0.38 1.03 -2.23 0.00 0.00 178.31 177.72 3h47 h SER 41 N 0.43 0.98 -0.24 0.41 0.87 -1.05 -1.14 113.55 113.81 3h47 h SER 41 Ca 0.18 -0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.49 3h47 h SER 41 Cb 0.08 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 3h47 h SER 41 CO -0.12 0.83 -0.34 0.00 -0.53 0.00 0.00 176.83 176.66 3h47 h ALA 42 N 1.19 0.36 0.00 6.23 0.00 -1.07 -2.97 119.26 122.99 3h47 h ALA 42 Ca 0.26 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3h47 h ALA 42 Cb 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3h47 h ALA 42 CO -0.04 0.41 -0.13 -0.07 0.00 0.00 0.00 179.25 179.43 3h47 h LEU 43 N 0.35 0.00 -3.51 0.00 3.38 -0.80 -2.24 115.31 112.50 3h47 h LEU 43 Ca 0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 3h47 h LEU 43 Cb 0.92 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.57 3h47 h LEU 43 CO 0.08 0.13 0.23 -1.54 0.09 0.00 0.00 178.44 177.42 3h47 n SER 44 N -3.61 4.70 -4.68 -0.43 3.41 -0.44 -4.96 113.62 107.61 3h47 n SER 44 Ca -0.02 -3.08 -0.46 0.00 -0.26 0.00 0.00 58.87 55.05 3h47 n SER 44 Cb 0.25 -0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 63.44 3h47 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h47 n GLY 46 N 4.27 0.41 3.76 0.00 0.00 -1.26 -4.85 105.19 107.52 3h47 n GLY 46 Ca 0.21 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3h47 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h47 s ALA 47 N -1.83 3.50 0.79 4.61 0.00 -0.75 -0.45 121.76 127.64 3h47 s ALA 47 Ca 0.00 1.22 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 3h47 s ALA 47 Cb 0.00 -3.47 0.07 0.00 0.00 0.00 0.00 23.12 19.72 3h47 s ALA 47 CO 0.00 -0.59 1.13 0.95 0.00 0.00 0.00 175.76 177.24 3h47 s THR 48 N -0.96 2.69 0.33 0.00 -4.23 -1.26 -4.44 115.64 107.77 3h47 s THR 48 Ca 0.50 0.23 0.02 0.00 -1.18 0.00 0.00 61.69 61.25 3h47 s THR 48 Cb -0.39 -3.12 0.28 0.00 1.34 0.00 0.00 72.50 70.61 3h47 s THR 48 CO 0.50 -0.29 1.96 -0.65 -0.54 0.00 0.00 174.62 175.59 3h47 h PRO 49 N -1.03 0.91 -0.47 3.99 0.11 -1.85 -1.22 132.00 132.44 3h47 h PRO 49 Ca -0.47 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.65 3h47 h PRO 49 Cb 1.29 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 3h47 h PRO 49 CO 0.63 0.60 0.15 0.37 -0.21 0.00 0.00 178.00 179.54 3h47 h GLN 50 N 0.94 0.30 -0.71 1.05 4.15 -1.91 0.11 115.11 119.04 3h47 h GLN 50 Ca 0.32 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.71 3h47 h GLN 50 Cb 0.09 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 3h47 h GLN 50 CO -0.10 0.20 0.41 -0.44 -1.93 0.00 0.00 178.83 176.97 3h47 h ASP 51 N 0.31 0.88 -0.46 -0.69 3.32 -1.69 -0.27 116.42 117.81 3h47 h ASP 51 Ca 0.23 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3h47 h ASP 51 Cb 0.25 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3h47 h ASP 51 CO -0.25 0.70 0.21 -0.07 -1.72 0.00 0.00 179.24 178.10 3h47 h LEU 52 N 0.98 0.62 -0.96 1.55 3.38 -0.68 -1.09 115.31 119.11 3h47 h LEU 52 Ca 0.25 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3h47 h LEU 52 Cb 0.00 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3h47 h LEU 52 CO -0.04 0.60 0.46 0.78 0.09 0.00 0.00 178.44 180.32 3h47 h ASN 53 N 0.60 1.07 -0.24 -0.43 2.35 -0.71 -1.75 115.58 116.47 3h47 h ASN 53 Ca 0.16 -0.10 0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3h47 h ASN 53 Cb 0.15 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 3h47 h ASN 53 CO -0.02 0.87 0.03 0.74 -1.65 0.00 0.00 177.43 177.40 3h47 h THR 54 N 1.20 0.86 -0.11 2.81 2.02 -0.57 0.22 112.91 119.35 3h47 h THR 54 Ca 0.30 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.44 3h47 h THR 54 Cb 0.04 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3h47 h THR 54 CO -0.05 0.02 0.07 0.24 0.37 0.00 0.00 175.52 176.17 3h47 h MET 55 N 0.11 0.14 -0.34 6.66 2.86 -0.86 -0.65 114.93 122.86 3h47 h MET 55 Ca 0.11 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3h47 h MET 55 Cb 0.13 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3h47 h MET 55 CO -0.17 0.12 0.17 -0.07 1.06 0.00 0.00 176.91 178.03 3h47 h LEU 56 N 0.12 0.44 -1.31 1.22 3.38 -1.15 -3.11 115.31 114.90 3h47 h LEU 56 Ca 0.04 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3h47 h LEU 56 Cb 0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3h47 h LEU 56 CO -0.01 0.42 -0.21 0.78 0.09 0.00 0.00 178.44 179.52 3h47 h ASN 57 N 0.42 0.00 0.90 -0.43 2.35 -0.35 -2.63 115.58 115.83 3h47 h ASN 57 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3h47 h ASN 57 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3h47 h ASN 57 CO -0.02 0.21 0.00 0.35 -1.65 0.00 0.00 177.43 176.32 3h47 n THR 58 N -3.46 0.56 -2.24 2.81 -2.24 -0.27 -4.70 114.28 104.75 3h47 n THR 58 Ca -0.00 0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 3h47 n THR 58 Cb 0.39 -0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 67.80 3h47 n THR 58 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h47 s VAL 59 N -3.08 3.76 -0.11 2.28 1.01 -0.99 -4.93 120.40 118.33 3h47 s VAL 59 Ca 0.09 1.14 0.09 0.00 0.00 0.00 0.00 61.98 63.30 3h47 s VAL 59 Cb 0.13 -3.73 -0.24 0.00 0.00 0.00 0.00 36.38 32.54 3h47 s VAL 59 CO 0.44 -0.01 0.38 0.61 0.00 0.00 0.00 175.10 176.53 3h47 n GLY 60 N 3.63 -0.85 0.00 4.51 0.00 -1.26 -4.97 105.19 106.24 3h47 n GLY 60 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3h47 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h47 n GLY 61 N 1.76 0.89 3.92 -0.02 0.00 -1.26 -4.72 105.19 105.76 3h47 n GLY 61 Ca -0.26 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.53 3h47 n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h47 n HIS 62 N -0.42 -2.06 0.25 1.61 8.25 -1.26 -4.84 115.22 116.75 3h47 n HIS 62 Ca 0.00 0.81 0.13 0.00 -0.26 0.00 0.00 57.72 58.40 3h47 n HIS 62 Cb 0.00 -3.52 0.59 0.00 1.12 0.00 0.00 29.99 28.19 3h47 n HIS 62 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3h47 h GLN 63 N -1.74 0.00 0.33 -0.41 1.08 -1.95 -1.12 115.11 111.30 3h47 h GLN 63 Ca -0.56 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.62 3h47 h GLN 63 Cb 1.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.80 3h47 h GLN 63 CO 0.69 0.14 -0.16 0.00 -0.95 0.00 0.00 178.83 178.55 3h47 h ALA 64 N 1.86 -0.44 -0.83 3.87 0.00 -2.00 -1.05 119.26 120.69 3h47 h ALA 64 Ca -0.00 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3h47 h ALA 64 Cb 0.59 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 3h47 h ALA 64 CO 0.02 -0.74 0.52 0.00 0.00 0.00 0.00 179.25 179.04 3h47 h ALA 65 N 0.23 1.11 -0.05 0.00 0.00 -1.73 -1.15 119.26 117.66 3h47 h ALA 65 Ca -0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3h47 h ALA 65 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3h47 h ALA 65 CO 0.07 0.29 -0.41 0.52 0.00 0.00 0.00 179.25 179.72 3h47 h MET 66 N 0.97 0.11 -0.23 0.00 2.07 -1.11 -0.66 114.93 116.08 3h47 h MET 66 Ca 0.35 -0.05 -0.11 0.00 -2.07 0.00 0.00 59.70 57.82 3h47 h MET 66 Cb 0.10 -0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.83 3h47 h MET 66 CO -0.15 0.51 -0.28 0.37 1.07 0.00 0.00 176.91 178.44 3h47 h GLN 67 N 0.10 0.59 -0.89 1.72 5.75 -0.61 -2.48 115.11 119.29 3h47 h GLN 67 Ca 0.01 -0.33 0.08 0.00 -0.15 0.00 0.00 58.65 58.26 3h47 h GLN 67 Cb 0.78 0.02 -0.07 0.00 1.07 0.00 0.00 27.48 29.28 3h47 h GLN 67 CO 0.06 0.93 0.55 0.52 -2.65 0.00 0.00 178.83 178.24 3h47 h MET 68 N 0.29 0.91 -0.63 1.69 2.86 -0.82 -1.78 114.93 117.45 3h47 h MET 68 Ca 0.03 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3h47 h MET 68 Cb 0.84 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 3h47 h MET 68 CO 0.07 0.60 0.38 1.25 1.06 0.00 0.00 176.91 180.27 3h47 h LEU 69 N 0.94 0.76 -0.89 1.22 5.85 -1.07 -1.46 115.31 120.66 3h47 h LEU 69 Ca 0.41 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.14 3h47 h LEU 69 Cb 0.30 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 3h47 h LEU 69 CO -0.22 0.60 0.55 0.11 -0.34 0.00 0.00 178.44 179.15 3h47 h LYS 70 N 0.86 0.98 -0.25 1.25 1.57 -0.89 -0.10 116.57 119.99 3h47 h LYS 70 Ca 0.23 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3h47 h LYS 70 Cb -0.02 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 3h47 h LYS 70 CO -0.04 0.65 0.11 0.93 -0.57 0.00 0.00 179.45 180.52 3h47 h GLU 71 N 1.01 0.23 -0.54 3.15 5.08 -0.53 0.09 114.58 123.06 3h47 h GLU 71 Ca 0.39 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.69 3h47 h GLU 71 Cb 0.18 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3h47 h GLU 71 CO -0.18 0.15 0.18 1.15 -1.00 0.00 0.00 179.01 179.32 3h47 h THR 72 N 0.24 1.23 -0.71 1.13 2.02 -0.84 -1.98 112.91 114.00 3h47 h THR 72 Ca 0.10 -0.76 0.02 0.00 0.77 0.00 0.00 66.41 66.55 3h47 h THR 72 Cb 0.05 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 3h47 h THR 72 CO -0.08 0.28 0.45 0.40 0.37 0.00 0.00 175.52 176.94 3h47 h ILE 73 N 0.74 1.12 -0.09 3.11 2.04 -0.70 -1.37 117.51 122.35 3h47 h ILE 73 Ca 0.18 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 3h47 h ILE 73 Cb 0.26 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3h47 h ILE 73 CO -0.01 0.16 -0.31 0.78 0.00 0.00 0.00 178.15 178.77 3h47 h ASN 74 N 0.89 0.18 -0.45 1.72 2.35 -0.76 -0.71 115.58 118.80 3h47 h ASN 74 Ca 0.28 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.87 3h47 h ASN 74 Cb -0.01 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3h47 h ASN 74 CO -0.10 0.49 -0.09 -0.33 -1.65 0.00 0.00 177.43 175.75 3h47 h GLU 75 N 0.16 0.86 -0.21 0.81 5.08 -0.66 -1.73 114.58 118.89 3h47 h GLU 75 Ca 0.02 -0.32 -0.15 0.00 -1.00 0.00 0.00 59.36 57.91 3h47 h GLU 75 Cb 0.64 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3h47 h GLU 75 CO 0.05 0.96 -0.50 0.93 -1.00 0.00 0.00 179.01 179.45 3h47 h GLU 76 N 0.70 0.57 -0.40 2.33 4.39 -0.98 -2.49 114.58 118.71 3h47 h GLU 76 Ca 0.12 -0.33 -0.08 0.00 0.34 0.00 0.00 59.36 59.41 3h47 h GLU 76 Cb 0.63 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 3h47 h GLU 76 CO 0.04 0.94 -0.08 0.00 -1.16 0.00 0.00 179.01 178.75 3h47 h ALA 77 N 1.01 1.13 -0.47 3.43 0.00 -1.05 0.47 119.26 123.77 3h47 h ALA 77 Ca 0.02 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 3h47 h ALA 77 Cb 1.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3h47 h ALA 77 CO 0.10 0.55 -0.22 0.00 0.00 0.00 0.00 179.25 179.67 3h47 h ALA 78 N 1.29 0.67 -0.32 0.00 0.00 -1.22 -1.03 119.26 118.65 3h47 h ALA 78 Ca 0.12 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 3h47 h ALA 78 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3h47 h ALA 78 CO 0.03 0.66 -0.26 1.49 0.00 0.00 0.00 179.25 181.17 3h47 h GLU 79 N 0.84 0.64 -0.41 0.00 4.57 -1.15 -0.96 114.58 118.12 3h47 h GLU 79 Ca 0.11 -0.27 0.01 0.00 -1.18 0.00 0.00 59.36 58.03 3h47 h GLU 79 Cb 0.80 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 3h47 h GLU 79 CO 0.07 0.84 0.25 2.35 -1.18 0.00 0.00 179.01 181.34 3h47 h TRP 80 N 0.56 0.47 -0.10 0.92 2.91 -0.73 -2.18 115.95 117.81 3h47 h TRP 80 Ca 0.07 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.06 3h47 h TRP 80 Cb 0.74 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.23 3h47 h TRP 80 CO 0.03 0.29 -0.15 -0.44 -1.03 0.00 0.00 178.44 177.14 3h47 h ASP 81 N 0.51 0.14 -0.16 2.65 3.32 -0.77 0.14 116.42 122.25 3h47 h ASP 81 Ca 0.16 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 3h47 h ASP 81 Cb -0.02 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3h47 h ASP 81 CO -0.06 0.31 -0.30 -0.09 -1.72 0.00 0.00 179.24 177.38 3h47 h ARG 82 N 0.14 0.65 0.00 3.56 2.43 -0.79 -3.13 114.38 117.24 3h47 h ARG 82 Ca 0.03 -0.29 -0.11 0.00 -0.81 0.00 0.00 59.98 58.81 3h47 h ARG 82 Cb 0.36 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 3h47 h ARG 82 CO 0.02 0.87 -1.18 -0.07 -1.51 0.00 0.00 179.97 178.11 3h47 h LEU 83 N 0.55 0.00 -6.04 3.80 3.38 -0.84 -3.42 115.31 112.74 3h47 h LEU 83 Ca 0.07 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.47 3h47 h LEU 83 Cb 0.80 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.15 3h47 h LEU 83 CO 0.07 0.37 -0.99 1.41 0.09 0.00 0.00 178.44 179.38 3h47 n HIS 84 N -2.85 0.53 -1.87 1.13 8.25 0.43 -5.10 115.22 115.73 3h47 n HIS 84 Ca -0.05 -3.69 -0.41 0.00 -0.26 0.00 0.00 57.72 53.30 3h47 n HIS 84 Cb 0.73 -0.40 -0.02 0.00 1.12 0.00 0.00 29.99 31.43 3h47 n HIS 84 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3h47 s PRO 85 N -1.48 4.18 0.15 -0.41 0.02 -1.19 -4.68 135.00 131.60 3h47 s PRO 85 Ca 0.36 2.47 0.03 0.00 0.02 0.00 0.00 61.00 63.88 3h47 s PRO 85 Cb 0.17 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 3h47 s PRO 85 CO -0.09 -0.53 0.27 0.14 -0.33 0.00 0.00 177.00 176.46 3h47 s VAL 86 N -0.17 5.26 0.00 3.83 -7.23 -1.26 -5.13 120.40 115.69 3h47 s VAL 86 Ca 0.60 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 60.06 3h47 s VAL 86 Cb -0.45 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 32.79 3h47 s VAL 86 CO 0.48 -0.08 0.00 1.41 -0.31 0.00 0.00 175.10 176.60 3h47 n HIS 87 N -0.49 0.00 -3.66 2.82 8.25 -1.26 -5.14 115.22 115.73 3h47 n HIS 87 Ca -0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.29 3h47 n HIS 87 Cb 0.54 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.61 3h47 n HIS 87 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3h47 s ILE 91 N 1.67 0.04 0.10 1.59 2.07 -1.26 -5.07 121.20 120.34 3h47 s ILE 91 Ca 0.00 -0.62 -0.33 0.00 -1.41 0.00 0.00 60.65 58.29 3h47 s ILE 91 Cb 0.00 -1.36 -0.12 0.00 0.13 0.00 0.00 42.46 41.11 3h47 s ILE 91 CO 0.00 -0.18 1.75 0.00 -1.91 0.00 0.00 174.94 174.60 3h47 n ALA 92 N -0.30 1.68 -1.66 1.50 0.00 -1.26 -4.87 120.51 115.60 3h47 n ALA 92 Ca -0.13 0.36 -0.55 0.00 0.00 0.00 0.00 53.44 53.12 3h47 n ALA 92 Cb 0.63 -2.49 -0.07 0.00 0.00 0.00 0.00 19.45 17.53 3h47 n ALA 92 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3h47 n PRO 93 N 5.00 1.31 -0.48 0.00 -0.02 -1.26 -1.59 135.00 137.95 3h47 n PRO 93 Ca 0.18 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3h47 n PRO 93 Cb 0.33 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3h47 n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h47 n GLY 94 N 4.67 0.94 3.92 -1.23 0.00 -1.26 -5.04 105.19 107.19 3h47 n GLY 94 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 3h47 n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h47 s GLN 95 N -0.42 3.28 -0.08 1.61 -1.52 -0.62 -5.08 119.66 116.83 3h47 s GLN 95 Ca 0.00 -0.84 -0.30 0.00 -1.95 0.00 0.00 55.36 52.28 3h47 s GLN 95 Cb 0.00 -2.80 -0.02 0.00 -0.22 0.00 0.00 33.01 29.97 3h47 s GLN 95 CO 0.00 0.43 1.12 1.41 -0.25 0.00 0.00 175.29 178.00 3h47 s MET 96 N -3.87 4.38 0.57 2.91 1.75 -1.26 -4.87 119.30 118.90 3h47 s MET 96 Ca 0.34 1.55 -0.08 0.00 -1.25 0.00 0.00 55.69 56.25 3h47 s MET 96 Cb -0.09 -3.55 -0.03 0.00 2.84 0.00 0.00 34.83 33.99 3h47 s MET 96 CO 0.28 -0.40 0.93 -0.98 -0.65 0.00 0.00 175.02 174.20 3h47 s ARG 97 N 2.15 3.52 0.20 4.11 1.70 -1.26 -5.03 118.95 124.34 3h47 s ARG 97 Ca 0.53 0.48 -0.29 0.00 -0.47 0.00 0.00 55.73 55.98 3h47 s ARG 97 Cb -0.22 -2.21 -0.08 0.00 -0.57 0.00 0.00 34.95 31.87 3h47 s ARG 97 CO 0.20 -0.45 0.90 -1.21 -1.08 0.00 0.00 175.30 173.66 3h47 s GLU 98 N -5.00 4.76 0.11 3.89 2.02 -1.26 -5.03 118.70 118.19 3h47 s GLU 98 Ca 0.52 1.39 -0.29 0.00 0.02 0.00 0.00 54.97 56.61 3h47 s GLU 98 Cb -0.11 -3.29 -0.06 0.00 0.10 0.00 0.00 34.13 30.77 3h47 s GLU 98 CO 0.50 0.50 0.92 -1.25 0.02 0.00 0.00 175.26 175.94 3h47 s PRO 99 N -1.02 4.68 0.67 0.39 0.05 -1.26 -4.96 135.00 133.54 3h47 s PRO 99 Ca 0.40 1.38 0.03 0.00 0.05 0.00 0.00 61.00 62.86 3h47 s PRO 99 Cb -0.25 -3.36 0.11 0.00 0.05 0.00 0.00 34.50 31.05 3h47 s PRO 99 CO 0.30 0.27 0.92 -0.98 0.05 0.00 0.00 177.00 177.56 3h47 s ARG 100 N -0.17 1.89 0.16 4.56 1.70 -1.26 -4.92 118.95 120.92 3h47 s ARG 100 Ca 0.45 -1.32 -0.20 0.00 -0.47 0.00 0.00 55.73 54.19 3h47 s ARG 100 Cb -0.23 -2.45 0.06 0.00 -0.57 0.00 0.00 34.95 31.77 3h47 s ARG 100 CO 0.29 -1.25 1.65 0.78 -1.08 0.00 0.00 175.30 175.69 3h47 h GLY 101 N -0.28 0.07 2.00 3.88 0.00 -1.92 -0.78 103.07 106.04 3h47 h GLY 101 Ca -0.34 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3h47 h GLY 101 CO 0.40 -0.18 0.00 1.48 0.00 0.00 0.00 176.54 178.24 3h47 h SER 102 N -0.12 0.00 -0.02 0.19 4.64 -1.96 -0.94 113.55 115.33 3h47 h SER 102 Ca 0.16 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.28 3h47 h SER 102 Cb 0.38 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3h47 h SER 102 CO -0.40 0.00 -0.78 0.44 -0.87 0.00 0.00 176.83 175.23 3h47 h ASP 103 N 0.00 0.72 0.09 4.97 3.32 -1.50 -0.82 116.42 123.20 3h47 h ASP 103 Ca 0.00 -0.73 -0.09 0.00 0.02 0.00 0.00 57.03 56.24 3h47 h ASP 103 Cb 0.37 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3h47 h ASP 103 CO 0.00 1.35 -0.28 0.40 -1.72 0.00 0.00 179.24 179.00 3h47 h ILE 104 N 0.16 1.26 -0.01 0.35 2.04 -0.52 -1.85 117.51 118.94 3h47 h ILE 104 Ca -0.09 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.55 3h47 h ILE 104 Cb 1.45 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 3h47 h ILE 104 CO 0.15 0.37 0.00 0.00 0.00 0.00 0.00 178.15 178.68 3h47 n ALA 105 N -2.48 2.65 -1.08 1.87 0.00 -0.44 -4.57 120.51 116.47 3h47 n ALA 105 Ca -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.13 3h47 n ALA 105 Cb 0.39 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 3h47 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h47 n GLY 106 N 1.04 0.57 0.06 0.00 0.00 -0.70 -4.89 105.19 101.28 3h47 n GLY 106 Ca 0.22 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.98 3h47 n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h47 n THR 107 N -2.76 0.45 -0.30 2.61 -2.24 -0.36 -4.38 114.28 107.30 3h47 n THR 107 Ca -0.03 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3h47 n THR 107 Cb 0.17 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 3h47 n THR 107 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3h47 n THR 108 N -2.52 0.62 -4.35 4.28 -2.24 -0.98 -5.02 114.28 104.06 3h47 n THR 108 Ca -0.05 -0.66 -0.30 0.00 -2.27 0.00 0.00 64.05 60.77 3h47 n THR 108 Cb 0.63 0.72 -0.11 0.00 -2.10 0.00 0.00 70.33 69.47 3h47 n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h47 s SER 109 N -0.62 3.99 0.59 3.42 1.04 -1.26 -4.84 113.70 116.01 3h47 s SER 109 Ca 0.00 -0.49 -0.04 0.00 0.48 0.00 0.00 55.95 55.90 3h47 s SER 109 Cb 0.00 -0.63 0.02 0.00 0.10 0.00 0.00 66.02 65.52 3h47 s SER 109 CO 0.00 0.19 0.87 0.42 0.98 0.00 0.00 173.24 175.71 3h47 s THR 110 N -1.12 3.27 0.15 2.02 -4.23 -1.26 -4.88 115.64 109.59 3h47 s THR 110 Ca 0.18 -0.23 -0.17 0.00 -1.18 0.00 0.00 61.69 60.29 3h47 s THR 110 Cb -0.11 -3.29 -0.00 0.00 1.34 0.00 0.00 72.50 70.44 3h47 s THR 110 CO 0.10 -0.28 1.80 0.25 -0.54 0.00 0.00 174.62 175.95 3h47 h LEU 111 N -0.15 0.38 -1.09 4.79 5.85 -1.99 -1.83 115.31 121.28 3h47 h LEU 111 Ca -0.45 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.30 3h47 h LEU 111 Cb 1.27 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 3h47 h LEU 111 CO 0.59 0.28 0.62 -0.61 -0.34 0.00 0.00 178.44 178.97 3h47 h GLN 112 N 0.46 1.17 -0.65 1.25 5.75 -1.99 0.14 115.11 121.24 3h47 h GLN 112 Ca 0.13 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 3h47 h GLN 112 Cb -0.03 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.23 3h47 h GLN 112 CO -0.04 0.77 0.23 0.93 -2.65 0.00 0.00 178.83 178.07 3h47 h GLU 113 N 1.20 0.99 -0.51 1.69 5.08 -1.88 0.06 114.58 121.20 3h47 h GLU 113 Ca 0.37 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3h47 h GLU 113 Cb -0.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3h47 h GLU 113 CO -0.11 0.85 0.19 1.96 -1.00 0.00 0.00 179.01 180.90 3h47 h GLN 114 N 0.92 0.78 -0.65 2.33 4.20 -0.40 -0.52 115.11 121.77 3h47 h GLN 114 Ca 0.21 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3h47 h GLN 114 Cb 0.25 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 3h47 h GLN 114 CO -0.01 0.70 0.36 0.82 -0.67 0.00 0.00 178.83 180.02 3h47 h ILE 115 N 0.69 1.20 -0.27 2.54 2.04 -0.63 -0.28 117.51 122.81 3h47 h ILE 115 Ca 0.17 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.53 3h47 h ILE 115 Cb 0.22 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3h47 h ILE 115 CO -0.01 0.22 0.17 1.23 0.00 0.00 0.00 178.15 179.76 3h47 h GLY 116 N 0.88 0.38 0.88 5.37 0.00 -0.61 -1.33 103.07 108.63 3h47 h GLY 116 Ca 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 3h47 h GLY 116 CO -0.04 0.13 0.04 1.49 0.00 0.00 0.00 176.54 178.16 3h47 h TRP 117 N 0.35 0.14 0.00 5.60 6.55 -0.91 -1.98 115.95 125.70 3h47 h TRP 117 Ca 0.10 -0.01 -0.02 0.00 0.95 0.00 0.00 58.89 59.91 3h47 h TRP 117 Cb -0.03 -0.04 -0.00 0.00 -0.86 0.00 0.00 29.16 28.23 3h47 h TRP 117 CO -0.06 0.23 -0.10 0.52 -1.05 0.00 0.00 178.44 177.98 3h47 h MET 118 N 0.00 0.00 -0.19 0.49 2.86 -0.87 0.21 114.93 117.43 3h47 h MET 118 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3h47 h MET 118 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3h47 h MET 118 CO -0.00 0.10 0.00 0.25 1.06 0.00 0.00 176.91 178.32 3h47 n THR 119 N -3.57 1.20 -1.45 2.22 -2.24 -0.52 -4.62 114.28 105.30 3h47 n THR 119 Ca -0.02 -1.18 -0.30 0.00 -2.27 0.00 0.00 64.05 60.28 3h47 n THR 119 Cb 0.23 0.37 0.10 0.00 -2.10 0.00 0.00 70.33 68.93 3h47 n THR 119 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3h47 s HIS 120 N -1.32 2.69 -0.29 4.78 5.04 -0.75 -4.90 115.29 120.53 3h47 s HIS 120 Ca 0.18 1.19 0.01 0.00 -1.54 0.00 0.00 55.06 54.89 3h47 s HIS 120 Cb 0.11 -3.13 0.08 0.00 0.04 0.00 0.00 32.58 29.68 3h47 s HIS 120 CO 0.09 -1.94 0.03 1.21 -2.34 0.00 0.00 174.74 171.78 3h47 s ASN 121 N -3.76 4.15 0.46 9.88 2.47 -1.26 -0.56 114.94 126.31 3h47 s ASN 121 Ca 0.61 -1.60 -0.21 0.00 0.42 0.00 0.00 52.86 52.09 3h47 s ASN 121 Cb -0.15 -1.19 -0.09 0.00 -1.45 0.00 0.00 41.25 38.36 3h47 s ASN 121 CO 0.55 -0.34 1.01 -2.84 -3.72 0.00 0.00 177.10 171.76 3h47 s PRO 122 N 1.33 4.00 0.34 0.43 0.02 -1.26 -5.14 135.00 134.72 3h47 s PRO 122 Ca 0.04 1.28 -0.28 0.00 0.02 0.00 0.00 61.00 62.06 3h47 s PRO 122 Cb -0.18 -2.17 -0.10 0.00 0.02 0.00 0.00 34.50 32.07 3h47 s PRO 122 CO -0.13 -0.25 1.26 -1.25 -0.33 0.00 0.00 177.00 176.30 3h47 s PRO 123 N -3.14 4.33 -0.45 5.54 0.04 0.27 -5.01 135.00 136.58 3h47 s PRO 123 Ca 0.64 2.10 -0.07 0.00 0.04 0.00 0.00 61.00 63.72 3h47 s PRO 123 Cb -0.14 -3.02 0.12 0.00 0.04 0.00 0.00 34.50 31.50 3h47 s PRO 123 CO 0.18 -0.17 0.29 0.42 0.04 0.00 0.00 177.00 177.77 3h47 s ILE 124 N -1.18 3.83 -1.18 0.56 1.01 0.05 -4.97 121.20 119.32 3h47 s ILE 124 Ca 0.50 -1.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.10 3h47 s ILE 124 Cb -0.37 -3.56 -0.06 0.00 0.01 0.00 0.00 42.46 38.47 3h47 s ILE 124 CO 0.49 -0.75 2.27 -2.65 0.00 0.00 0.00 174.94 174.31 3h47 n PRO 125 N 4.76 2.48 0.24 2.79 -0.02 -1.26 -3.38 135.00 140.61 3h47 n PRO 125 Ca -0.05 -2.03 0.07 0.00 -2.02 0.00 0.00 63.50 59.47 3h47 n PRO 125 Cb 0.41 -2.88 0.58 0.00 -0.02 0.00 0.00 33.50 31.59 3h47 n PRO 125 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3h47 h VAL 126 N 3.78 1.00 -0.35 -1.45 -1.51 -1.91 -0.82 116.25 114.99 3h47 h VAL 126 Ca 0.58 -0.44 -0.07 0.00 -1.23 0.00 0.00 66.70 65.54 3h47 h VAL 126 Cb 0.46 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 3h47 h VAL 126 CO 1.78 0.12 -0.05 1.23 -1.23 0.00 0.00 177.57 179.42 3h47 h GLY 127 N 0.42 0.71 1.43 5.19 0.00 -1.84 -1.28 103.07 107.70 3h47 h GLY 127 Ca -0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.63 3h47 h GLY 127 CO 0.02 0.52 -0.38 0.83 0.00 0.00 0.00 176.54 177.53 3h47 h GLU 128 N 0.46 0.63 -0.23 4.80 4.39 -1.60 -1.56 114.58 121.46 3h47 h GLU 128 Ca 0.09 -0.31 -0.05 0.00 0.34 0.00 0.00 59.36 59.43 3h47 h GLU 128 Cb 0.54 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 3h47 h GLU 128 CO 0.03 0.91 -0.06 0.82 -1.16 0.00 0.00 179.01 179.55 3h47 h ILE 129 N 0.52 1.28 -0.67 3.13 2.04 -1.13 -2.19 117.51 120.50 3h47 h ILE 129 Ca 0.05 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.82 3h47 h ILE 129 Cb 0.89 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 3h47 h ILE 129 CO 0.08 0.33 0.29 0.22 0.00 0.00 0.00 178.15 179.07 3h47 h TYR 130 N 0.19 0.99 -0.79 1.37 3.20 -1.22 -2.76 116.97 117.95 3h47 h TYR 130 Ca 0.06 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.88 3h47 h TYR 130 Cb 0.52 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 3h47 h TYR 130 CO 0.05 0.76 0.52 -0.22 -1.64 0.00 0.00 178.16 177.63 3h47 h LYS 131 N 0.94 1.03 -0.47 1.82 3.64 -1.18 -1.24 116.57 121.11 3h47 h LYS 131 Ca 0.23 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3h47 h LYS 131 Cb 0.17 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3h47 h LYS 131 CO -0.02 0.68 0.27 -0.09 -2.27 0.00 0.00 179.45 178.02 3h47 h ARG 132 N 1.06 0.64 -0.78 1.90 2.43 -1.12 -0.94 114.38 117.57 3h47 h ARG 132 Ca 0.29 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3h47 h ARG 132 Cb -0.11 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.27 3h47 h ARG 132 CO -0.06 0.48 0.48 -1.49 -1.51 0.00 0.00 179.97 177.87 3h47 h TRP 133 N 0.62 1.01 -0.47 2.20 6.55 -1.14 -1.26 115.95 123.46 3h47 h TRP 133 Ca 0.17 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.95 3h47 h TRP 133 Cb 0.01 -0.34 -0.02 0.00 -0.86 0.00 0.00 29.16 27.96 3h47 h TRP 133 CO -0.03 0.67 0.07 0.82 -1.05 0.00 0.00 178.44 178.92 3h47 h ILE 134 N 1.06 1.25 -0.14 1.49 2.04 -0.94 -1.77 117.51 120.51 3h47 h ILE 134 Ca 0.28 -0.93 -0.11 0.00 1.00 0.00 0.00 64.86 65.10 3h47 h ILE 134 Cb -0.06 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3h47 h ILE 134 CO -0.05 0.33 -0.40 0.40 0.00 0.00 0.00 178.15 178.42 3h47 h ILE 135 N 0.65 1.30 -0.40 -0.67 2.04 -1.05 0.19 117.51 119.57 3h47 h ILE 135 Ca 0.14 -1.51 0.03 0.00 1.00 0.00 0.00 64.86 64.52 3h47 h ILE 135 Cb 0.40 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 3h47 h ILE 135 CO 0.01 0.46 0.19 0.25 0.00 0.00 0.00 178.15 179.06 3h47 h LEU 136 N 0.26 0.28 -0.51 1.44 6.46 -0.94 0.14 115.31 122.43 3h47 h LEU 136 Ca 0.02 0.02 -0.12 0.00 -0.12 0.00 0.00 57.88 57.69 3h47 h LEU 136 Cb 0.82 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.70 3h47 h LEU 136 CO 0.06 0.20 -0.15 1.23 -0.62 0.00 0.00 178.44 179.17 3h47 h GLY 137 N 0.39 1.08 1.03 3.75 0.00 -0.82 -3.00 103.07 105.51 3h47 h GLY 137 Ca 0.17 -0.91 -0.04 0.00 0.00 0.00 0.00 47.33 46.55 3h47 h GLY 137 CO -0.12 0.83 0.31 1.41 0.00 0.00 0.00 176.54 178.97 3h47 h LEU 138 N 0.87 1.01 -0.96 3.11 3.38 -0.42 -2.73 115.31 119.57 3h47 h LEU 138 Ca 0.13 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.95 3h47 h LEU 138 Cb 0.72 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 3h47 h LEU 138 CO 0.06 0.89 0.63 0.78 0.09 0.00 0.00 178.44 180.89 3h47 h ASN 139 N 1.06 1.09 -0.79 -0.43 2.35 -0.91 0.03 115.58 117.98 3h47 h ASN 139 Ca 0.25 -0.02 0.06 0.00 -0.55 0.00 0.00 56.30 56.04 3h47 h ASN 139 Cb 0.18 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.23 3h47 h ASN 139 CO -0.02 0.78 0.47 0.11 -1.65 0.00 0.00 177.43 177.12 3h47 h LYS 140 N 1.28 0.84 -0.29 0.81 1.57 -1.36 -1.02 116.57 118.40 3h47 h LYS 140 Ca 0.36 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 59.01 3h47 h LYS 140 Cb -0.12 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.00 3h47 h LYS 140 CO -0.09 0.56 -0.12 0.82 -0.57 0.00 0.00 179.45 180.05 3h47 h ILE 141 N 0.87 1.29 -0.60 1.86 2.04 -0.99 -0.12 117.51 121.87 3h47 h ILE 141 Ca 0.35 -1.19 0.08 0.00 1.00 0.00 0.00 64.86 65.09 3h47 h ILE 141 Cb 0.18 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 3h47 h ILE 141 CO -0.18 0.38 0.27 0.58 0.00 0.00 0.00 178.15 179.20 3h47 h VAL 142 N 0.34 0.86 -0.68 1.67 2.07 -0.80 0.12 116.25 119.83 3h47 h VAL 142 Ca 0.07 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3h47 h VAL 142 Cb 0.62 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3h47 h VAL 142 CO 0.04 0.09 0.30 0.03 0.02 0.00 0.00 177.57 178.05 3h47 h ARG 143 N 0.49 0.99 -0.56 1.57 -0.00 -0.91 -1.86 114.38 114.11 3h47 h ARG 143 Ca 0.29 -0.16 -0.08 0.00 -0.50 0.00 0.00 59.98 59.52 3h47 h ARG 143 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 29.97 30.06 3h47 h ARG 143 CO -0.24 0.81 0.02 1.98 0.00 0.00 0.00 179.97 182.53 3h47 h MET 144 N 0.95 0.97 -0.01 0.04 -1.53 -0.23 -3.01 114.93 112.11 3h47 h MET 144 Ca 0.23 -0.30 0.00 0.00 -3.44 0.00 0.00 59.70 56.19 3h47 h MET 144 Cb 0.16 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.12 3h47 h MET 144 CO -0.02 0.97 -0.04 0.66 0.14 0.00 0.00 176.91 178.61 3h47 n TYR 145 N -4.27 0.00 -1.67 1.39 4.02 -0.04 -4.83 117.16 111.77 3h47 n TYR 145 Ca 0.02 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.47 3h47 n TYR 145 Cb 0.32 -0.03 -0.04 0.00 -0.02 0.00 0.00 39.34 39.58 3h47 n TYR 145 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3h47 n SER 146 N -0.19 3.95 0.17 7.72 2.88 -0.71 -4.89 113.62 122.55 3h47 n SER 146 Ca 0.19 0.92 0.06 0.00 -1.33 0.00 0.00 58.87 58.71 3h47 n SER 146 Cb 0.31 -1.48 0.17 0.00 -0.75 0.00 0.00 64.21 62.46 3h47 n SER 146 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3h47 h PRO 147 N 10.14 0.00 -4.57 -1.46 0.11 -1.90 -3.47 132.00 130.85 3h47 h PRO 147 Ca -0.49 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.30 3h47 h PRO 147 Cb 1.25 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.12 3h47 h PRO 147 CO 0.94 0.35 -0.75 0.99 -0.21 0.00 0.00 178.00 179.33 3h47 s THR 148 N -3.19 0.57 0.31 -1.15 2.01 -1.26 -5.14 115.64 107.78 3h47 s THR 148 Ca 0.03 -0.79 -0.27 0.00 0.31 0.00 0.00 61.69 60.97 3h47 s THR 148 Cb 0.08 -0.57 -0.10 0.00 0.01 0.00 0.00 72.50 71.92 3h47 s THR 148 CO 0.70 -0.17 0.97 -0.55 -0.69 0.00 0.00 174.62 174.88 3h47 s SER 149 N -1.06 7.32 0.60 3.53 0.15 -1.26 -4.90 113.70 118.09 3h47 s SER 149 Ca -0.05 1.93 0.30 0.00 0.70 0.00 0.00 55.95 58.83 3h47 s SER 149 Cb -0.07 -2.59 1.72 0.00 -1.71 0.00 0.00 66.02 63.37 3h47 s SER 149 CO 0.00 -0.08 2.13 -0.29 1.20 0.00 0.00 173.24 176.20 3h47 h ILE 150 N 2.72 0.43 0.00 6.45 6.09 -1.95 -0.08 117.51 131.17 3h47 h ILE 150 Ca -0.47 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.01 3h47 h ILE 150 Cb 1.20 0.86 -0.00 0.00 0.47 0.00 0.00 36.82 39.34 3h47 h ILE 150 CO 0.65 0.00 -0.06 -0.07 -3.07 0.00 0.00 178.15 175.60 3h47 h LEU 151 N 0.00 0.00 -1.98 2.19 3.38 -2.01 -2.77 115.31 114.12 3h47 h LEU 151 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3h47 h LEU 151 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3h47 h LEU 151 CO -0.00 0.06 0.00 0.47 0.09 0.00 0.00 178.44 179.06 3h47 n ASP 152 N -3.23 3.02 -4.44 -0.43 8.00 -0.05 -4.77 116.55 114.66 3h47 n ASP 152 Ca -0.00 -1.95 -0.43 0.00 0.71 0.00 0.00 54.79 53.11 3h47 n ASP 152 Cb 0.30 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.26 3h47 n ASP 152 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h47 s ILE 153 N -1.80 4.47 0.01 0.53 -1.09 -1.05 -5.00 121.20 117.26 3h47 s ILE 153 Ca 0.33 -0.63 0.05 0.00 -2.23 0.00 0.00 60.65 58.18 3h47 s ILE 153 Cb 0.21 -4.66 -0.02 0.00 -1.58 0.00 0.00 42.46 36.42 3h47 s ILE 153 CO 0.31 -1.40 -0.17 -0.13 -1.23 0.00 0.00 174.94 172.32 3h47 s ARG 154 N 3.63 1.27 0.23 2.79 0.52 -1.26 -4.86 118.95 121.27 3h47 s ARG 154 Ca 0.21 -0.69 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 3h47 s ARG 154 Cb -0.17 -1.27 -0.10 0.00 0.52 0.00 0.00 34.95 33.93 3h47 s ARG 154 CO 0.07 0.34 1.47 -1.14 0.02 0.00 0.00 175.30 176.06 3h47 s GLN 155 N -0.68 4.25 0.56 3.54 0.74 -0.21 -4.99 119.66 122.87 3h47 s GLN 155 Ca 0.06 2.32 -0.16 0.00 0.05 0.00 0.00 55.36 57.63 3h47 s GLN 155 Cb -0.07 -3.12 -0.06 0.00 1.10 0.00 0.00 33.01 30.86 3h47 s GLN 155 CO 0.00 -0.47 1.02 0.20 -0.55 0.00 0.00 175.29 175.50 3h47 s GLY 156 N 0.54 2.06 0.34 2.59 0.00 -1.26 -4.35 107.32 107.24 3h47 s GLY 156 Ca 0.62 0.26 0.14 0.00 0.00 0.00 0.00 44.72 45.73 3h47 s GLY 156 CO 0.41 0.55 1.64 -2.55 0.00 0.00 0.00 173.10 173.15 3h47 h PRO 157 N 0.62 0.23 0.00 2.90 0.11 -2.02 -0.57 132.00 133.27 3h47 h PRO 157 Ca -0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3h47 h PRO 157 Cb 1.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3h47 h PRO 157 CO 0.60 0.15 -0.18 1.63 -0.21 0.00 0.00 178.00 179.99 3h47 n LYS 158 N -5.13 0.92 -2.63 1.05 4.01 -1.26 -5.03 118.16 110.10 3h47 n LYS 158 Ca 0.32 -2.18 -0.42 0.00 -0.51 0.00 0.00 58.31 55.51 3h47 n LYS 158 Cb 1.01 -1.20 -0.03 0.00 -0.51 0.00 0.00 35.03 34.30 3h47 n LYS 158 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 3h47 s GLU 159 N -2.06 4.41 0.26 1.97 2.12 -0.22 -5.00 118.70 120.18 3h47 s GLU 159 Ca 0.24 1.47 -0.30 0.00 0.36 0.00 0.00 54.97 56.73 3h47 s GLU 159 Cb 0.21 -3.54 -0.13 0.00 0.26 0.00 0.00 34.13 30.92 3h47 s GLU 159 CO 0.01 -0.34 1.32 -2.30 -0.54 0.00 0.00 175.26 173.41 3h47 n PRO 160 N 5.03 1.93 -0.35 4.30 -0.02 -1.26 -4.70 135.00 139.92 3h47 n PRO 160 Ca 0.09 0.68 0.09 0.00 -2.02 0.00 0.00 63.50 62.34 3h47 n PRO 160 Cb 0.48 -2.28 0.26 0.00 -0.02 0.00 0.00 33.50 31.94 3h47 n PRO 160 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3h47 h PHE 161 N 3.55 1.07 -0.76 6.00 3.57 -1.93 -1.49 116.94 126.94 3h47 h PHE 161 Ca -0.45 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.11 3h47 h PHE 161 Cb 1.29 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 3h47 h PHE 161 CO 0.54 0.35 0.49 -0.09 -2.23 0.00 0.00 178.31 177.37 3h47 h ARG 162 N 0.87 0.94 -0.39 1.11 2.43 -1.90 -0.29 114.38 117.15 3h47 h ARG 162 Ca 0.51 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.54 3h47 h ARG 162 Cb 0.63 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3h47 h ARG 162 CO -0.31 0.62 -0.10 -0.44 -1.51 0.00 0.00 179.97 178.23 3h47 h ASP 163 N 0.96 0.67 -0.31 -3.80 3.32 -1.65 -0.91 116.42 114.71 3h47 h ASP 163 Ca 0.30 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 3h47 h ASP 163 Cb -0.02 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3h47 h ASP 163 CO -0.10 0.80 -0.08 0.22 -1.72 0.00 0.00 179.24 178.37 3h47 h TYR 164 N 0.63 0.67 -0.70 4.55 3.20 -0.93 -2.26 116.97 122.13 3h47 h TYR 164 Ca 0.11 -0.15 -0.06 0.00 3.14 0.00 0.00 58.73 61.78 3h47 h TYR 164 Cb 0.54 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 3h47 h TYR 164 CO 0.02 0.78 0.20 0.28 -1.64 0.00 0.00 178.16 177.81 3h47 h VAL 165 N 0.37 1.26 -0.32 1.81 2.07 -0.87 -0.47 116.25 120.09 3h47 h VAL 165 Ca 0.08 -0.91 0.06 0.00 0.82 0.00 0.00 66.70 66.75 3h47 h VAL 165 Cb 0.57 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 3h47 h VAL 165 CO 0.03 0.35 -0.08 0.44 0.02 0.00 0.00 177.57 178.33 3h47 h ASP 166 N 1.04 -0.31 -0.69 0.57 3.32 -1.07 -1.64 116.42 117.66 3h47 h ASP 166 Ca 0.22 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 3h47 h ASP 166 Cb 0.32 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 3h47 h ASP 166 CO -0.00 -0.11 0.20 0.03 -1.72 0.00 0.00 179.24 177.64 3h47 h ARG 167 N -0.00 1.08 0.09 3.56 3.08 -0.89 -1.63 114.38 119.67 3h47 h ARG 167 Ca 0.15 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 3h47 h ARG 167 Cb 0.24 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3h47 h ARG 167 CO -0.33 0.94 -0.04 0.35 -1.07 0.00 0.00 179.97 179.81 3h47 h PHE 168 N 1.02 -0.11 0.00 3.04 3.57 -0.78 -0.66 116.94 123.01 3h47 h PHE 168 Ca 0.22 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 3h47 h PHE 168 Cb 0.32 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3h47 h PHE 168 CO 0.02 0.00 -0.34 1.88 -2.23 0.00 0.00 178.31 177.65 3h47 h TYR 169 N -0.20 0.00 -0.54 0.41 0.05 -1.32 -1.04 116.97 114.33 3h47 h TYR 169 Ca -0.01 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.66 3h47 h TYR 169 Cb 0.17 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 3h47 h TYR 169 CO -0.05 0.34 -0.07 -0.22 -1.05 0.00 0.00 178.16 177.12 3h47 h LYS 170 N 0.00 1.00 -0.24 4.88 1.63 -1.16 -1.72 116.57 120.97 3h47 h LYS 170 Ca -0.00 -0.36 -0.08 0.00 -0.85 0.00 0.00 60.65 59.36 3h47 h LYS 170 Cb 1.17 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.72 3h47 h LYS 170 CO 0.04 1.04 -0.16 1.15 -3.45 0.00 0.00 179.45 178.07 3h47 h THR 171 N 0.88 1.31 -0.95 1.00 2.02 -0.89 -2.61 112.91 113.67 3h47 h THR 171 Ca 0.15 -1.27 0.06 0.00 0.77 0.00 0.00 66.41 66.11 3h47 h THR 171 Cb 0.63 1.61 -0.06 0.00 -1.74 0.00 0.00 68.15 68.59 3h47 h THR 171 CO 0.04 0.39 0.62 0.25 0.37 0.00 0.00 175.52 177.19 3h47 h LEU 172 N 0.24 0.98 -0.43 2.58 5.85 -1.18 0.09 115.31 123.45 3h47 h LEU 172 Ca 0.05 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 3h47 h LEU 172 Cb 0.68 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3h47 h LEU 172 CO 0.04 0.64 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.65 3h47 h ARG 173 N 1.12 0.79 -0.14 1.25 2.43 -1.21 -3.15 114.38 115.46 3h47 h ARG 173 Ca 0.40 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3h47 h ARG 173 Cb 0.15 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3h47 h ARG 173 CO -0.15 0.88 -0.02 0.00 -1.51 0.00 0.00 179.97 179.17 3h47 h ALA 174 N 0.88 0.20 -3.00 2.80 0.00 -1.05 -3.48 119.26 115.61 3h47 h ALA 174 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3h47 h ALA 174 Cb 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3h47 h ALA 174 CO 0.03 -0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.60 3h47 n GLU 175 N -4.73 0.00 0.00 0.00 -0.58 -0.02 -3.93 120.64 111.38 3h47 n GLU 175 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3h47 n GLU 175 Cb 0.24 -0.18 0.00 0.00 -0.57 0.00 0.00 31.44 30.92 3h47 n GLU 175 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3h47 n THR 188 N 0.00 0.00 -0.12 2.62 -2.24 -1.26 -4.99 114.28 108.29 3h47 n THR 188 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 3h47 n THR 188 Cb 0.00 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.48 3h47 n THR 188 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3h47 h LEU 189 N 0.00 0.72 -0.56 3.22 5.85 -2.03 -0.63 115.31 121.88 3h47 h LEU 189 Ca 0.00 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.68 3h47 h LEU 189 Cb 0.00 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3h47 h LEU 189 CO 0.00 0.64 0.31 0.25 -0.34 0.00 0.00 178.44 179.30 3h47 h LEU 190 N 0.78 0.46 -0.09 2.25 5.85 -1.97 0.78 115.31 123.38 3h47 h LEU 190 Ca 0.19 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3h47 h LEU 190 Cb 0.14 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 3h47 h LEU 190 CO -0.02 0.32 -0.11 0.58 -0.34 0.00 0.00 178.44 178.87 3h47 h VAL 191 N 0.59 1.38 -0.95 1.05 2.07 -1.88 -2.63 116.25 115.89 3h47 h VAL 191 Ca 0.24 -1.32 0.12 0.00 0.82 0.00 0.00 66.70 66.56 3h47 h VAL 191 Cb 0.11 2.06 -0.08 0.00 -1.52 0.00 0.00 31.29 31.86 3h47 h VAL 191 CO -0.15 0.37 0.61 -0.61 0.02 0.00 0.00 177.57 177.81 3h47 h GLN 192 N -0.21 0.89 -0.00 1.57 5.75 -0.83 -1.55 115.11 120.72 3h47 h GLN 192 Ca 0.01 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3h47 h GLN 192 Cb 0.65 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.00 3h47 h GLN 192 CO 0.03 0.59 -0.29 0.09 -2.65 0.00 0.00 178.83 176.60 3h47 n ASN 193 N -4.58 0.77 -4.76 -0.69 4.13 0.24 -4.88 115.26 105.49 3h47 n ASN 193 Ca 0.18 -0.63 -0.31 0.00 1.68 0.00 0.00 54.58 55.49 3h47 n ASN 193 Cb 0.36 0.11 0.09 0.00 -1.54 0.00 0.00 39.78 38.80 3h47 n ASN 193 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h47 s ALA 194 N -2.64 2.22 0.79 5.41 0.00 -0.59 -1.04 121.76 125.91 3h47 s ALA 194 Ca 0.21 0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 3h47 s ALA 194 Cb 0.19 -3.30 0.07 0.00 0.00 0.00 0.00 23.12 20.08 3h47 s ALA 194 CO 0.56 -1.79 1.09 0.54 0.00 0.00 0.00 175.76 176.16 3h47 s ASN 195 N -3.21 4.51 0.17 0.00 2.20 -1.26 -4.69 114.94 112.66 3h47 s ASN 195 Ca 0.63 1.35 -0.18 0.00 -0.94 0.00 0.00 52.86 53.72 3h47 s ASN 195 Cb -0.18 -2.10 0.10 0.00 -2.00 0.00 0.00 41.25 37.08 3h47 s ASN 195 CO 0.54 -1.96 1.65 -0.65 -2.94 0.00 0.00 177.10 173.74 3h47 h PRO 196 N -1.08 -0.05 0.07 3.55 0.11 -1.95 0.29 132.00 132.92 3h47 h PRO 196 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 3h47 h PRO 196 Cb 1.26 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3h47 h PRO 196 CO 0.59 -0.04 -0.14 -0.44 -0.21 0.00 0.00 178.00 177.76 3h47 h ASP 197 N -0.06 -0.39 -0.38 -2.05 3.32 -1.96 -1.44 116.42 113.46 3h47 h ASP 197 Ca 0.20 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 3h47 h ASP 197 Cb 0.36 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3h47 h ASP 197 CO -0.45 -0.21 0.08 0.00 -1.72 0.00 0.00 179.24 176.95 3h47 h LYS 199 N 0.48 0.51 -0.34 0.00 3.64 -0.17 0.16 116.57 120.84 3h47 h LYS 199 Ca 0.12 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3h47 h LYS 199 Cb 0.33 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3h47 h LYS 199 CO 0.00 0.33 0.19 1.15 -2.27 0.00 0.00 179.45 178.86 3h47 h THR 200 N 0.52 1.02 -0.17 1.00 2.02 -1.18 0.83 112.91 116.95 3h47 h THR 200 Ca 0.37 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.43 3h47 h THR 200 Cb 0.46 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3h47 h THR 200 CO -0.32 0.07 0.07 0.40 0.37 0.00 0.00 175.52 176.12 3h47 h ILE 201 N 0.39 0.98 -0.66 3.11 2.04 -1.08 -2.40 117.51 119.90 3h47 h ILE 201 Ca 0.14 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 3h47 h ILE 201 Cb 0.02 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3h47 h ILE 201 CO -0.07 0.03 0.22 -0.07 0.00 0.00 0.00 178.15 178.26 3h47 h LEU 202 N 0.17 0.94 -1.05 1.44 3.38 -0.40 -2.45 115.31 117.34 3h47 h LEU 202 Ca 0.07 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3h47 h LEU 202 Cb 0.03 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3h47 h LEU 202 CO -0.06 0.89 0.64 0.11 0.09 0.00 0.00 178.44 180.11 3h47 h LYS 203 N 0.94 1.26 0.00 1.13 1.57 -0.73 -1.70 116.57 119.04 3h47 h LYS 203 Ca 0.21 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3h47 h LYS 203 Cb 0.27 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3h47 h LYS 203 CO -0.01 0.83 -0.08 0.00 -0.57 0.00 0.00 179.45 179.62 3h47 h ALA 204 N 1.40 1.02 -0.37 3.86 0.00 -1.06 -2.96 119.26 121.16 3h47 h ALA 204 Ca 0.37 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.28 3h47 h ALA 204 Cb -0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3h47 h ALA 204 CO -0.09 0.10 0.25 -0.07 0.00 0.00 0.00 179.25 179.44 3h47 h LEU 205 N 0.00 0.15 0.00 0.00 3.38 -0.85 -3.48 115.31 114.51 3h47 h LEU 205 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h47 h LEU 205 Cb 0.57 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3h47 h LEU 205 CO 0.01 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.25 3h47 n GLY 206 N -1.56 -0.81 3.74 0.83 0.00 -1.12 -4.90 105.19 101.37 3h47 n GLY 206 Ca 0.05 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 3h47 n GLY 206 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h47 s PRO 207 N -1.79 2.14 0.00 1.61 0.02 -1.26 -4.03 135.00 131.68 3h47 s PRO 207 Ca 0.00 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.50 3h47 s PRO 207 Cb 0.00 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.66 3h47 s PRO 207 CO 0.00 -1.78 0.00 0.41 -0.33 0.00 0.00 177.00 175.30 3h47 n GLY 208 N -0.26 0.66 3.74 0.52 0.00 -1.26 -5.01 105.19 103.58 3h47 n GLY 208 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3h47 n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h47 s ALA 209 N -2.49 3.58 0.95 4.61 0.00 -1.26 -5.02 121.76 122.13 3h47 s ALA 209 Ca 0.00 1.22 -0.12 0.00 0.00 0.00 0.00 51.96 53.05 3h47 s ALA 209 Cb 0.00 -3.52 0.16 0.00 0.00 0.00 0.00 23.12 19.76 3h47 s ALA 209 CO 0.00 -0.64 1.12 0.95 0.00 0.00 0.00 175.76 177.20 3h47 s THR 210 N 0.14 2.00 0.12 0.00 -4.23 -1.26 -4.88 115.64 107.52 3h47 s THR 210 Ca 0.59 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.95 3h47 s THR 210 Cb -0.39 -2.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.75 3h47 s THR 210 CO 0.40 0.00 1.55 0.25 -0.54 0.00 0.00 174.62 176.28 3h47 h LEU 211 N -1.65 0.69 -0.72 4.79 5.85 -1.99 -2.21 115.31 120.07 3h47 h LEU 211 Ca -0.52 -0.33 0.12 0.00 0.84 0.00 0.00 57.88 58.00 3h47 h LEU 211 Cb 1.33 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 42.09 3h47 h LEU 211 CO 0.60 0.85 0.30 -0.08 -0.34 0.00 0.00 178.44 179.77 3h47 h GLU 212 N 0.51 0.46 -0.54 1.25 4.81 -1.99 -0.54 114.58 118.53 3h47 h GLU 212 Ca 0.10 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3h47 h GLU 212 Cb 0.52 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3h47 h GLU 212 CO 0.03 0.30 0.12 0.93 -0.73 0.00 0.00 179.01 179.66 3h47 h GLU 213 N 0.47 0.87 -0.54 1.92 5.08 -1.87 -1.28 114.58 119.23 3h47 h GLU 213 Ca 0.38 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3h47 h GLU 213 Cb 0.52 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3h47 h GLU 213 CO -0.36 0.82 0.18 0.52 -1.00 0.00 0.00 179.01 179.17 3h47 h MET 214 N 0.76 0.83 -0.43 2.33 2.86 -0.76 -0.77 114.93 119.75 3h47 h MET 214 Ca 0.17 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 3h47 h MET 214 Cb 0.35 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3h47 h MET 214 CO 0.00 0.75 -0.26 0.52 1.06 0.00 0.00 176.91 178.99 3h47 h MET 215 N 0.74 0.93 -0.59 1.72 2.86 -1.01 -1.69 114.93 117.89 3h47 h MET 215 Ca 0.17 -0.43 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3h47 h MET 215 Cb 0.26 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 3h47 h MET 215 CO -0.01 1.09 0.35 1.15 1.06 0.00 0.00 176.91 180.55 3h47 h THR 216 N 0.76 1.18 -0.57 2.22 2.02 -1.16 -1.93 112.91 115.42 3h47 h THR 216 Ca 0.09 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 66.90 3h47 h THR 216 Cb 0.84 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 3h47 h THR 216 CO 0.07 0.18 0.33 0.00 0.37 0.00 0.00 175.52 176.48 3h47 h ALA 217 N 1.17 0.73 -0.51 6.16 0.00 -0.84 -2.62 119.26 123.35 3h47 h ALA 217 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3h47 h ALA 217 Cb -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3h47 h ALA 217 CO -0.04 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.26