#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5tim s LYS 3 N 0.00 4.25 0.80 -1.46 2.20 -1.26 -5.02 119.74 119.25 5tim s LYS 3 Ca 0.00 2.35 -0.11 0.00 -0.36 0.00 0.00 55.97 57.86 5tim s LYS 3 Cb 0.00 -3.06 0.07 0.00 -1.51 0.00 0.00 37.83 33.34 5tim s LYS 3 CO 0.00 -0.37 1.10 -1.25 -0.36 0.00 0.00 175.35 174.46 5tim s PRO 4 N -1.32 2.01 -0.16 4.03 0.04 -1.26 -4.94 135.00 133.40 5tim s PRO 4 Ca 0.54 1.18 -0.35 0.00 0.04 0.00 0.00 61.00 62.41 5tim s PRO 4 Cb -0.43 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.12 5tim s PRO 4 CO 0.52 -1.82 1.90 0.94 0.04 0.00 0.00 177.00 178.58 5tim n GLN 5 N -3.64 1.86 -1.10 4.56 7.27 -1.26 -4.94 117.38 120.12 5tim n GLN 5 Ca 0.09 0.67 -0.29 0.00 0.07 0.00 0.00 57.00 57.53 5tim n GLN 5 Cb 0.53 -2.54 0.22 0.00 2.41 0.00 0.00 30.24 30.86 5tim n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 5tim s PRO 6 N 4.27 -0.58 -0.00 3.69 0.04 -1.26 -4.85 135.00 136.30 5tim s PRO 6 Ca 0.96 0.18 0.01 0.00 0.04 0.00 0.00 61.00 62.19 5tim s PRO 6 Cb -0.77 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.12 5tim s PRO 6 CO 0.54 -3.34 -0.02 0.42 0.04 0.00 0.00 177.00 174.64 5tim s ILE 7 N -2.97 0.14 -0.28 0.56 1.01 -1.07 -2.00 121.20 116.58 5tim s ILE 7 Ca 0.69 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 61.28 5tim s ILE 7 Cb -0.14 -0.14 0.08 0.00 0.01 0.00 0.00 42.46 42.28 5tim s ILE 7 CO 0.57 0.05 0.01 0.00 0.00 0.00 0.00 174.94 175.57 5tim s ALA 8 N 0.02 2.14 -0.23 9.38 0.00 -0.77 -0.89 121.76 131.41 5tim s ALA 8 Ca 0.00 -1.78 -0.06 0.00 0.00 0.00 0.00 51.96 50.13 5tim s ALA 8 Cb -0.01 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 5tim s ALA 8 CO -0.00 -1.45 0.02 0.00 0.00 0.00 0.00 175.76 174.32 5tim s ALA 9 N 1.30 3.01 -0.33 0.00 0.00 -0.32 -1.48 121.76 123.94 5tim s ALA 9 Ca 0.03 -1.13 -0.16 0.00 0.00 0.00 0.00 51.96 50.69 5tim s ALA 9 Cb -0.19 -1.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 5tim s ALA 9 CO -0.11 -0.43 0.43 0.00 0.00 0.00 0.00 175.76 175.64 5tim s ALA 10 N 1.50 3.50 -0.42 0.00 0.00 -0.50 0.07 121.76 125.93 5tim s ALA 10 Ca 0.06 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.88 5tim s ALA 10 Cb -0.15 -2.88 0.07 0.00 0.00 0.00 0.00 23.12 20.17 5tim s ALA 10 CO 0.01 -1.04 0.26 1.21 0.00 0.00 0.00 175.76 176.20 5tim s ASN 11 N 1.72 5.68 0.25 0.00 2.47 0.11 -1.01 114.94 124.16 5tim s ASN 11 Ca 0.15 -1.45 0.25 0.00 0.42 0.00 0.00 52.86 52.23 5tim s ASN 11 Cb -0.16 -2.00 0.94 0.00 -1.45 0.00 0.00 41.25 38.58 5tim s ASN 11 CO 0.12 -0.53 1.74 0.79 -3.72 0.00 0.00 177.10 175.50 5tim n TRP 12 N 4.94 0.89 -3.85 0.43 8.01 -0.96 -4.37 117.44 122.54 5tim n TRP 12 Ca -0.10 0.32 0.00 0.00 -1.31 0.00 0.00 57.50 56.41 5tim n TRP 12 Cb 0.43 -1.02 0.00 0.00 -2.01 0.00 0.00 31.31 28.72 5tim n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 5tim n LYS 13 N -2.28 0.00 -2.66 -0.99 5.02 -1.26 -3.25 118.16 112.73 5tim n LYS 13 Ca 0.03 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.90 5tim n LYS 13 Cb 0.30 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.31 5tim n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 5tim s ASN 15 N -0.75 0.09 0.00 0.00 0.01 -1.20 -5.14 114.94 107.95 5tim s ASN 15 Ca 0.37 -1.01 0.00 0.00 -0.71 0.00 0.00 52.86 51.51 5tim s ASN 15 Cb 0.09 0.42 0.00 0.00 0.41 0.00 0.00 41.25 42.17 5tim s ASN 15 CO 0.03 -0.88 0.00 0.61 -1.51 0.00 0.00 177.10 175.35 5tim n GLY 16 N -0.22 2.25 3.22 0.66 0.00 -1.26 -4.79 105.19 105.05 5tim n GLY 16 Ca -0.05 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 5tim n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 5tim s SER 17 N 0.00 0.67 0.20 1.61 1.04 -1.26 -5.01 113.70 110.95 5tim s SER 17 Ca 0.00 -1.29 -0.11 0.00 0.48 0.00 0.00 55.95 55.03 5tim s SER 17 Cb 0.00 0.25 0.18 0.00 0.10 0.00 0.00 66.02 66.55 5tim s SER 17 CO 0.00 -0.72 1.82 1.56 0.98 0.00 0.00 173.24 176.88 5tim h GLN 18 N 2.65 0.68 -0.06 4.02 4.20 -1.99 -1.86 115.11 122.75 5tim h GLN 18 Ca -0.36 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 5tim h GLN 18 Cb 1.22 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 5tim h GLN 18 CO 0.59 0.45 -0.02 0.37 -0.67 0.00 0.00 178.83 179.55 5tim h GLN 19 N 0.70 0.12 -0.66 1.46 -0.00 -1.99 -1.80 115.11 112.94 5tim h GLN 19 Ca 0.27 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.87 5tim h GLN 19 Cb 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 27.48 27.54 5tim h GLN 19 CO -0.14 0.46 0.40 0.66 0.00 0.00 0.00 178.83 180.21 5tim h SER 20 N -0.23 0.78 -0.50 -0.69 4.64 -1.95 -2.43 113.55 113.17 5tim h SER 20 Ca 0.01 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 5tim h SER 20 Cb 0.41 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 5tim h SER 20 CO 0.01 0.61 0.01 -0.07 -0.87 0.00 0.00 176.83 176.51 5tim h LEU 21 N 0.89 0.86 -0.90 5.97 3.38 -1.34 -2.44 115.31 121.74 5tim h LEU 21 Ca 0.24 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.93 5tim h LEU 21 Cb -0.04 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 5tim h LEU 21 CO -0.05 0.95 0.59 0.28 0.09 0.00 0.00 178.44 180.30 5tim h SER 22 N 0.75 1.00 0.30 -0.43 0.02 -1.26 -0.83 113.55 113.09 5tim h SER 22 Ca 0.14 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 5tim h SER 22 Cb 0.50 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 5tim h SER 22 CO 0.02 0.70 -0.41 -0.33 -1.14 0.00 0.00 176.83 175.67 5tim h GLU 23 N 1.17 -0.71 -0.75 3.45 5.08 -1.39 -0.79 114.58 120.63 5tim h GLU 23 Ca 0.34 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.92 5tim h GLU 23 Cb -0.07 0.16 -0.11 0.00 0.50 0.00 0.00 28.75 29.24 5tim h GLU 23 CO -0.10 -0.47 0.21 1.25 -1.00 0.00 0.00 179.01 178.90 5tim h LEU 24 N -0.74 0.07 -0.81 1.33 6.46 -1.26 -1.17 115.31 119.20 5tim h LEU 24 Ca -0.03 0.14 -0.07 0.00 -0.12 0.00 0.00 57.88 57.80 5tim h LEU 24 Cb 0.67 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.75 5tim h LEU 24 CO -0.11 -0.02 0.10 0.40 -0.62 0.00 0.00 178.44 178.19 5tim h ILE 25 N 0.30 1.25 -0.06 4.05 2.04 -0.97 -2.12 117.51 121.99 5tim h ILE 25 Ca 0.43 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 65.33 5tim h ILE 25 Cb 0.73 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 5tim h ILE 25 CO -0.50 0.37 -0.11 0.44 0.00 0.00 0.00 178.15 178.34 5tim h ASP 26 N 0.94 -0.33 -0.68 1.72 3.32 0.09 -2.27 116.42 119.22 5tim h ASP 26 Ca 0.19 0.06 0.12 0.00 0.02 0.00 0.00 57.03 57.42 5tim h ASP 26 Cb 0.40 0.15 -0.09 0.00 0.22 0.00 0.00 39.33 40.02 5tim h ASP 26 CO 0.01 -0.15 0.24 0.25 -1.72 0.00 0.00 179.24 177.86 5tim h LEU 27 N -0.16 0.19 -0.66 1.55 5.85 -1.05 -2.22 115.31 118.82 5tim h LEU 27 Ca 0.06 0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 5tim h LEU 27 Cb 0.24 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 5tim h LEU 27 CO -0.15 0.09 -0.33 -0.26 -0.34 0.00 0.00 178.44 177.44 5tim h PHE 28 N 0.39 0.79 0.00 1.25 0.04 -1.05 -2.42 116.94 115.94 5tim h PHE 28 Ca 0.36 -0.21 -0.04 0.00 2.80 0.00 0.00 57.97 60.88 5tim h PHE 28 Cb 0.52 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 5tim h PHE 28 CO -0.19 0.92 -0.19 -0.91 -0.60 0.00 0.00 178.31 177.34 5tim h ASN 29 N 0.57 0.00 1.33 2.17 2.35 -0.94 -1.82 115.58 119.25 5tim h ASN 29 Ca 0.06 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 5tim h ASN 29 Cb 0.84 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 5tim h ASN 29 CO 0.07 0.19 -0.10 0.28 -1.65 0.00 0.00 177.43 176.23 5tim h SER 30 N 0.00 0.00 -3.49 5.81 0.02 -0.92 -3.44 113.55 111.53 5tim h SER 30 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 5tim h SER 30 Cb 0.49 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 5tim h SER 30 CO 0.03 0.10 0.17 -0.89 -1.14 0.00 0.00 176.83 175.09 5tim s THR 31 N -3.46 4.48 -0.33 -2.27 2.01 -0.69 -5.02 115.64 110.36 5tim s THR 31 Ca 0.03 1.68 -0.13 0.00 0.31 0.00 0.00 61.69 63.57 5tim s THR 31 Cb 0.08 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 5tim s THR 31 CO 0.62 0.48 0.28 -0.94 -0.69 0.00 0.00 174.62 174.36 5tim s SER 32 N -0.82 6.10 -0.41 3.53 1.04 -1.26 -5.03 113.70 116.85 5tim s SER 32 Ca 0.36 -0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.46 5tim s SER 32 Cb -0.22 -2.16 0.10 0.00 0.10 0.00 0.00 66.02 63.84 5tim s SER 32 CO 0.25 -0.24 0.22 -0.63 0.98 0.00 0.00 173.24 173.82 5tim s ILE 33 N 1.83 3.52 -0.60 -1.02 1.09 -1.26 -4.97 121.20 119.78 5tim s ILE 33 Ca 0.08 -1.89 -0.02 0.00 -1.10 0.00 0.00 60.65 57.72 5tim s ILE 33 Cb -0.17 -3.34 0.32 0.00 -1.06 0.00 0.00 42.46 38.22 5tim s ILE 33 CO 0.11 -0.64 2.13 0.59 -0.10 0.00 0.00 174.94 177.03 5tim n ASN 34 N 4.68 7.24 -3.55 3.58 3.02 -1.26 -4.88 115.26 124.09 5tim n ASN 34 Ca -0.05 -3.56 -0.10 0.00 -0.03 0.00 0.00 54.58 50.84 5tim n ASN 34 Cb 0.42 -1.05 -0.04 0.00 -0.61 0.00 0.00 39.78 38.49 5tim n ASN 34 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 5tim s HIS 35 N -3.16 -0.38 -0.80 3.10 -3.43 -1.26 -5.11 115.29 104.26 5tim s HIS 35 Ca 0.54 0.51 -0.26 0.00 -0.80 0.00 0.00 55.06 55.05 5tim s HIS 35 Cb 0.42 0.48 0.01 0.00 -1.43 0.00 0.00 32.58 32.06 5tim s HIS 35 CO -0.13 -0.43 1.59 0.34 -2.00 0.00 0.00 174.74 174.10 5tim s ASP 36 N -1.62 5.83 -0.03 7.38 2.15 -1.26 -4.92 116.67 124.19 5tim s ASP 36 Ca 0.00 -0.51 -0.02 0.00 0.43 0.00 0.00 52.55 52.44 5tim s ASP 36 Cb -0.01 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 40.07 5tim s ASP 36 CO -0.02 -2.06 0.08 0.54 -0.17 0.00 0.00 175.17 173.54 5tim s VAL 37 N 7.19 -0.01 -0.27 1.11 0.11 -1.26 -4.21 120.40 123.06 5tim s VAL 37 Ca 0.52 0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 59.47 5tim s VAL 37 Cb -0.07 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 5tim s VAL 37 CO 0.08 0.02 0.30 -1.58 -3.33 0.00 0.00 175.10 170.59 5tim s GLN 38 N 0.25 4.00 -0.12 1.54 2.00 -0.85 -4.91 119.66 121.58 5tim s GLN 38 Ca -0.02 -0.09 -0.03 0.00 -2.00 0.00 0.00 55.36 53.22 5tim s GLN 38 Cb -0.03 -3.65 -0.03 0.00 0.80 0.00 0.00 33.01 30.10 5tim s GLN 38 CO -0.01 -0.22 0.01 0.00 -0.50 0.00 0.00 175.29 174.57 5tim s VAL 40 N -0.48 1.71 -0.24 0.00 1.01 -0.55 -1.11 120.40 120.73 5tim s VAL 40 Ca 0.09 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 5tim s VAL 40 Cb -0.12 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.83 5tim s VAL 40 CO 0.02 0.48 -0.07 -0.69 0.00 0.00 0.00 175.10 174.85 5tim s VAL 41 N -0.04 2.90 -0.50 2.92 1.01 0.07 -1.41 120.40 125.36 5tim s VAL 41 Ca -0.04 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 5tim s VAL 41 Cb -0.13 -2.44 0.13 0.00 0.00 0.00 0.00 36.38 33.94 5tim s VAL 41 CO 0.03 0.24 0.39 0.00 0.00 0.00 0.00 175.10 175.76 5tim s ALA 42 N 1.34 3.47 0.51 5.51 0.00 -0.18 -0.37 121.76 132.04 5tim s ALA 42 Ca 0.01 -2.58 0.06 0.00 0.00 0.00 0.00 51.96 49.45 5tim s ALA 42 Cb -0.16 -2.93 0.04 0.00 0.00 0.00 0.00 23.12 20.07 5tim s ALA 42 CO -0.05 -1.94 0.70 -1.54 0.00 0.00 0.00 175.76 172.93 5tim s SER 43 N 2.81 5.35 1.02 0.00 1.04 -1.13 -2.26 113.70 120.53 5tim s SER 43 Ca 0.06 -0.37 -0.11 0.00 0.48 0.00 0.00 55.95 56.01 5tim s SER 43 Cb -0.26 -0.51 0.20 0.00 0.10 0.00 0.00 66.02 65.55 5tim s SER 43 CO -0.00 -1.05 1.10 0.42 0.98 0.00 0.00 173.24 174.68 5tim s THR 44 N -2.58 2.05 0.16 2.02 -4.23 -1.26 -4.28 115.64 107.51 5tim s THR 44 Ca 0.58 0.02 -0.15 0.00 -1.18 0.00 0.00 61.69 60.95 5tim s THR 44 Cb -0.09 -2.04 0.03 0.00 1.34 0.00 0.00 72.50 71.74 5tim s THR 44 CO 0.36 -0.02 1.77 -0.26 -0.54 0.00 0.00 174.62 175.93 5tim h PHE 45 N -2.20 0.31 -0.95 3.99 0.04 -1.96 -2.81 116.94 113.36 5tim h PHE 45 Ca -0.51 0.02 0.17 0.00 2.80 0.00 0.00 57.97 60.45 5tim h PHE 45 Cb 1.29 -0.08 -0.10 0.00 2.20 0.00 0.00 35.95 39.26 5tim h PHE 45 CO 0.41 0.15 0.54 0.28 -0.60 0.00 0.00 178.31 179.09 5tim h VAL 46 N 0.35 0.73 -0.00 -0.55 2.07 -2.03 -2.68 116.25 114.14 5tim h VAL 46 Ca 0.17 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.44 5tim h VAL 46 Cb 0.12 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 5tim h VAL 46 CO -0.15 0.13 -0.07 1.41 0.02 0.00 0.00 177.57 178.92 5tim n HIS 47 N -4.80 0.00 -0.32 1.57 8.25 -1.08 -4.39 115.22 114.45 5tim n HIS 47 Ca 0.21 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.64 5tim n HIS 47 Cb 0.51 -0.16 0.13 0.00 1.12 0.00 0.00 29.99 31.58 5tim n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 5tim h LEU 48 N 0.50 1.07 0.35 2.41 3.38 -1.30 -1.66 115.31 120.06 5tim h LEU 48 Ca 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 5tim h LEU 48 Cb 0.30 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.78 5tim h LEU 48 CO 0.00 0.83 -0.17 0.00 0.09 0.00 0.00 178.44 179.19 5tim h ALA 49 N 1.36 -0.46 -0.76 1.53 0.00 -1.82 0.15 119.26 119.26 5tim h ALA 49 Ca 0.32 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.07 5tim h ALA 49 Cb -0.05 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 5tim h ALA 49 CO -0.06 -0.65 0.50 1.98 0.00 0.00 0.00 179.25 181.01 5tim h MET 50 N -0.68 1.00 -0.38 0.00 1.85 -1.84 0.49 114.93 115.37 5tim h MET 50 Ca -0.05 -0.06 -0.02 0.00 -0.61 0.00 0.00 59.70 58.96 5tim h MET 50 Cb 0.48 -0.22 -0.02 0.00 0.43 0.00 0.00 31.60 32.27 5tim h MET 50 CO 0.08 0.67 0.17 1.15 -0.40 0.00 0.00 176.91 178.58 5tim h THR 51 N 1.03 1.17 -0.04 -0.77 2.02 -1.17 0.46 112.91 115.61 5tim h THR 51 Ca 0.28 -0.51 -0.10 0.00 0.77 0.00 0.00 66.41 66.85 5tim h THR 51 Cb -0.11 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 5tim h THR 51 CO -0.06 0.19 -0.44 0.50 0.37 0.00 0.00 175.52 176.08 5tim h LYS 52 N 0.47 0.08 -0.00 6.66 3.64 -0.38 -0.93 116.57 126.12 5tim h LYS 52 Ca 0.13 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 5tim h LYS 52 Cb 0.14 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 5tim h LYS 52 CO -0.01 0.51 -0.01 1.49 -2.27 0.00 0.00 179.45 179.15 5tim h GLU 53 N 0.07 0.01 0.11 1.90 4.81 0.10 -3.39 114.58 118.19 5tim h GLU 53 Ca 0.00 -0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 58.93 5tim h GLU 53 Cb 0.81 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 5tim h GLU 53 CO 0.06 0.72 -1.43 -0.09 -0.73 0.00 0.00 179.01 177.55 5tim h ARG 54 N -0.70 0.22 -6.28 1.92 2.43 -0.06 -3.45 114.38 108.47 5tim h ARG 54 Ca -0.00 -0.38 -0.55 0.00 -0.81 0.00 0.00 59.98 58.24 5tim h ARG 54 Cb 0.73 0.14 0.02 0.00 -0.42 0.00 0.00 29.97 30.43 5tim h ARG 54 CO 0.00 1.10 1.28 -0.11 -1.51 0.00 0.00 179.97 180.73 5tim n LEU 55 N -3.45 3.94 -0.03 3.80 0.00 -0.36 -4.88 117.00 116.02 5tim n LEU 55 Ca -0.13 0.78 -0.02 0.00 0.00 0.00 0.00 56.01 56.63 5tim n LEU 55 Cb 1.03 -1.52 -0.06 0.00 0.00 0.00 0.00 43.42 42.87 5tim n LEU 55 CO 0.51 0.02 -0.72 -1.54 0.00 0.00 0.00 177.39 175.65 5tim n SER 56 N 8.25 3.09 -4.60 1.96 3.41 -1.26 -4.91 113.62 119.56 5tim n SER 56 Ca 0.22 0.00 -0.51 0.00 -0.26 0.00 0.00 58.87 58.32 5tim n SER 56 Cb 0.40 0.82 -0.06 0.00 -0.26 0.00 0.00 64.21 65.12 5tim n SER 56 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 5tim n HIS 57 N -2.19 1.63 0.04 7.33 -0.00 -1.26 -4.88 115.22 115.89 5tim n HIS 57 Ca -0.11 0.58 0.04 0.00 -0.00 0.00 0.00 57.72 58.24 5tim n HIS 57 Cb 0.65 -2.37 0.44 0.00 -0.00 0.00 0.00 29.99 28.72 5tim n HIS 57 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 5tim h PRO 58 N 4.79 0.45 -0.01 1.57 0.10 -1.96 -2.71 132.00 134.23 5tim h PRO 58 Ca -0.47 -0.04 0.00 0.00 0.10 0.00 0.00 66.00 65.59 5tim h PRO 58 Cb 1.32 -0.10 0.00 0.00 0.10 0.00 0.00 31.00 32.33 5tim h PRO 58 CO 0.80 0.33 -0.08 1.63 0.10 0.00 0.00 178.00 180.77 5tim n LYS 59 N -4.45 1.10 -3.97 1.05 5.02 -1.26 -4.90 118.16 110.74 5tim n LYS 59 Ca 0.02 -0.49 -0.31 0.00 -2.02 0.00 0.00 58.31 55.51 5tim n LYS 59 Cb 0.09 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 5tim n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 5tim s PHE 60 N -2.24 3.39 0.09 2.13 0.40 -1.02 -0.99 117.98 119.73 5tim s PHE 60 Ca 0.34 0.18 0.03 0.00 -0.60 0.00 0.00 56.93 56.88 5tim s PHE 60 Cb 0.21 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 42.00 5tim s PHE 60 CO 0.42 0.56 -0.09 0.14 0.70 0.00 0.00 175.22 176.95 5tim s VAL 61 N -1.47 0.83 0.08 -0.44 -7.23 -0.27 -4.94 120.40 106.96 5tim s VAL 61 Ca 0.33 -1.59 0.01 0.00 -1.81 0.00 0.00 61.98 58.92 5tim s VAL 61 Cb -0.13 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 5tim s VAL 61 CO 0.26 -0.57 0.21 0.27 -0.31 0.00 0.00 175.10 174.96 5tim s ILE 62 N -2.44 5.32 0.06 -0.62 -0.00 -1.26 -0.75 121.20 121.52 5tim s ILE 62 Ca 0.04 -0.46 0.00 0.00 -0.00 0.00 0.00 60.65 60.23 5tim s ILE 62 Cb -0.03 -3.62 -0.04 0.00 -0.00 0.00 0.00 42.46 38.78 5tim s ILE 62 CO -0.01 0.10 -0.05 0.00 -0.00 0.00 0.00 174.94 174.99 5tim s ALA 63 N -1.54 0.58 0.28 2.27 0.00 0.51 -3.91 121.76 119.95 5tim s ALA 63 Ca 0.35 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 5tim s ALA 63 Cb -0.13 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 5tim s ALA 63 CO 0.28 -0.26 0.52 0.00 0.00 0.00 0.00 175.76 176.30 5tim s ALA 64 N -3.15 3.67 -1.56 0.00 0.00 -0.49 -2.86 121.76 117.38 5tim s ALA 64 Ca 0.03 -0.67 0.26 0.00 0.00 0.00 0.00 51.96 51.57 5tim s ALA 64 Cb 0.02 -2.21 0.61 0.00 0.00 0.00 0.00 23.12 21.54 5tim s ALA 64 CO -0.06 0.23 1.48 1.04 0.00 0.00 0.00 175.76 178.45 5tim n GLN 65 N -1.04 0.63 0.00 0.00 6.02 -1.26 -0.60 117.38 121.13 5tim n GLN 65 Ca -0.03 -0.39 0.00 0.00 -0.01 0.00 0.00 57.00 56.58 5tim n GLN 65 Cb 0.54 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.31 5tim n GLN 65 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 5tim n ASN 66 N -0.85 0.00 -3.58 1.08 5.15 -1.20 -4.67 115.26 111.19 5tim n ASN 66 Ca 0.10 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 54.03 5tim n ASN 66 Cb 0.35 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.58 5tim n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 5tim s ALA 67 N -2.00 -1.97 0.26 5.20 0.00 -1.26 -4.97 121.76 117.02 5tim s ALA 67 Ca 0.00 1.13 0.06 0.00 0.00 0.00 0.00 51.96 53.15 5tim s ALA 67 Cb 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 5tim s ALA 67 CO 0.00 -0.73 0.32 0.96 0.00 0.00 0.00 175.76 176.30 5tim s ILE 68 N -2.75 4.78 0.07 0.00 -4.36 -0.29 -4.95 121.20 113.69 5tim s ILE 68 Ca 0.09 -1.14 -0.20 0.00 -0.26 0.00 0.00 60.65 59.14 5tim s ILE 68 Cb -0.00 -3.63 -0.11 0.00 1.25 0.00 0.00 42.46 39.97 5tim s ILE 68 CO -0.05 -0.31 1.50 0.00 0.24 0.00 0.00 174.94 176.32 5tim h ALA 69 N 1.24 0.26 -2.19 2.27 0.00 -1.94 -2.43 119.26 116.47 5tim h ALA 69 Ca -0.50 -0.20 -0.45 0.00 0.00 0.00 0.00 54.91 53.76 5tim h ALA 69 Cb 1.24 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 5tim h ALA 69 CO 0.60 -0.03 -0.72 -1.59 0.00 0.00 0.00 179.25 177.51 5tim s LYS 70 N -4.98 1.36 0.55 0.00 -2.85 -1.26 -4.01 119.74 108.55 5tim s LYS 70 Ca -0.14 -1.62 -0.19 0.00 -1.00 0.00 0.00 55.97 53.02 5tim s LYS 70 Cb 0.06 -1.09 -0.05 0.00 -2.06 0.00 0.00 37.83 34.69 5tim s LYS 70 CO 0.73 0.14 1.11 -1.12 0.10 0.00 0.00 175.35 176.32 5tim s SER 71 N -3.33 5.71 0.00 0.03 0.01 -1.26 -4.69 113.70 110.16 5tim s SER 71 Ca 0.24 2.11 0.00 0.00 1.31 0.00 0.00 55.95 59.60 5tim s SER 71 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 5tim s SER 71 CO 0.08 -1.22 0.00 0.61 0.41 0.00 0.00 173.24 173.11 5tim n GLY 72 N -0.03 -0.50 2.78 3.44 0.00 -1.26 -4.98 105.19 104.65 5tim n GLY 72 Ca 0.11 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 5tim n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5tim n ALA 73 N 0.00 5.66 -3.21 4.61 0.00 -1.26 -4.68 120.51 121.63 5tim n ALA 73 Ca 0.00 -4.26 -0.24 0.00 0.00 0.00 0.00 53.44 48.94 5tim n ALA 73 Cb 0.00 -2.96 -0.06 0.00 0.00 0.00 0.00 19.45 16.43 5tim n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 5tim n PHE 74 N 3.51 1.66 -1.58 0.00 3.72 -1.26 -5.12 117.46 118.40 5tim n PHE 74 Ca 0.44 -3.86 -0.49 0.00 -0.05 0.00 0.00 57.45 53.49 5tim n PHE 74 Cb 0.34 -0.45 -0.04 0.00 -0.94 0.00 0.00 39.48 38.39 5tim n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 5tim n THR 75 N 0.71 0.74 0.00 4.37 -1.04 -1.26 -1.33 114.28 116.47 5tim n THR 75 Ca 0.26 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 5tim n THR 75 Cb 0.50 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 5tim n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 5tim n GLY 76 N 2.09 2.90 3.97 3.41 0.00 -1.26 -5.03 105.19 111.27 5tim n GLY 76 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 5tim n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5tim s GLU 77 N -0.27 3.11 -0.08 1.61 0.41 -0.45 -5.12 118.70 117.92 5tim s GLU 77 Ca 0.00 -0.77 0.02 0.00 -0.41 0.00 0.00 54.97 53.82 5tim s GLU 77 Cb 0.00 -2.71 0.01 0.00 -1.78 0.00 0.00 34.13 29.65 5tim s GLU 77 CO 0.00 -0.06 -0.15 0.08 -0.49 0.00 0.00 175.26 174.64 5tim s VAL 78 N -2.33 1.39 0.37 2.63 1.01 -1.26 -5.00 120.40 117.20 5tim s VAL 78 Ca 0.46 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.84 5tim s VAL 78 Cb -0.10 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 5tim s VAL 78 CO 0.34 0.41 0.56 -0.94 0.00 0.00 0.00 175.10 175.48 5tim s SER 79 N 0.70 6.12 0.19 3.32 1.04 -1.26 -1.14 113.70 122.67 5tim s SER 79 Ca -0.13 0.30 -0.11 0.00 0.48 0.00 0.00 55.95 56.49 5tim s SER 79 Cb -0.16 -1.78 0.20 0.00 0.10 0.00 0.00 66.02 64.37 5tim s SER 79 CO 0.03 -0.42 1.78 -0.07 0.98 0.00 0.00 173.24 175.55 5tim h LEU 80 N 0.69 0.38 -1.02 2.42 3.38 -1.57 -1.93 115.31 117.67 5tim h LEU 80 Ca -0.48 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 5tim h LEU 80 Cb 1.23 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 5tim h LEU 80 CO 0.59 0.25 0.40 -0.65 0.09 0.00 0.00 178.44 179.12 5tim h PRO 81 N 0.52 1.09 -0.39 1.13 0.11 -1.88 0.12 132.00 132.70 5tim h PRO 81 Ca 0.26 -0.14 -0.15 0.00 0.11 0.00 0.00 66.00 66.09 5tim h PRO 81 Cb 0.21 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 5tim h PRO 81 CO -0.20 0.82 -0.35 0.82 -0.21 0.00 0.00 178.00 178.88 5tim h ILE 82 N 1.09 1.27 -0.83 4.15 2.04 -1.85 -1.67 117.51 121.71 5tim h ILE 82 Ca 0.27 -1.52 -0.03 0.00 1.00 0.00 0.00 64.86 64.59 5tim h ILE 82 Cb 0.06 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 5tim h ILE 82 CO -0.04 0.51 0.42 -0.07 0.00 0.00 0.00 178.15 178.97 5tim h LEU 83 N 0.75 1.07 -0.18 1.44 3.38 -0.69 -2.19 115.31 118.89 5tim h LEU 83 Ca 0.07 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 5tim h LEU 83 Cb 0.93 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 5tim h LEU 83 CO 0.09 0.89 -0.28 0.50 0.09 0.00 0.00 178.44 179.73 5tim h LYS 84 N 1.17 0.51 -0.30 1.13 3.64 -0.67 -0.88 116.57 121.17 5tim h LYS 84 Ca 0.29 -0.31 0.09 0.00 -1.27 0.00 0.00 60.65 59.44 5tim h LYS 84 Cb 0.09 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 5tim h LYS 84 CO -0.04 0.91 0.22 0.22 -2.27 0.00 0.00 179.45 178.49 5tim h ASP 85 N 0.17 0.01 0.53 4.20 3.58 -1.22 0.41 116.42 124.09 5tim h ASP 85 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 5tim h ASP 85 Cb 0.86 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.91 5tim h ASP 85 CO 0.07 0.01 0.00 0.33 -2.88 0.00 0.00 179.24 176.76 5tim n PHE 86 N -4.45 0.00 -1.15 0.28 7.35 -0.83 -4.91 117.46 113.75 5tim n PHE 86 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 5tim n PHE 86 Cb 0.38 -0.30 0.00 0.00 0.35 0.00 0.00 39.48 39.90 5tim n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 5tim n GLY 87 N 0.96 0.64 3.63 7.13 0.00 0.14 -5.06 105.19 112.64 5tim n GLY 87 Ca 0.12 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 5tim n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5tim s VAL 88 N -2.00 4.52 0.00 1.61 1.01 -0.40 -4.99 120.40 120.15 5tim s VAL 88 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.84 5tim s VAL 88 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.39 5tim s VAL 88 CO 0.00 0.51 0.61 0.59 0.00 0.00 0.00 175.10 176.81 5tim n ASN 89 N 3.15 0.83 -4.24 3.32 4.13 -1.26 -4.18 115.26 117.00 5tim n ASN 89 Ca -0.17 -1.35 -0.29 0.00 1.68 0.00 0.00 54.58 54.44 5tim n ASN 89 Cb 0.53 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.61 5tim n ASN 89 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 5tim s TRP 90 N -0.35 2.11 -0.02 3.10 0.52 -1.25 -0.35 118.94 122.69 5tim s TRP 90 Ca 0.00 -0.50 -0.05 0.00 0.02 0.00 0.00 56.10 55.56 5tim s TRP 90 Cb 0.00 -1.37 0.00 0.00 -1.15 0.00 0.00 33.47 30.95 5tim s TRP 90 CO 0.00 -0.11 0.12 -1.50 0.02 0.00 0.00 176.95 175.48 5tim s ILE 91 N -0.33 0.05 -0.21 2.03 2.07 0.25 -1.40 121.20 123.65 5tim s ILE 91 Ca 0.03 -0.37 -0.08 0.00 -1.41 0.00 0.00 60.65 58.81 5tim s ILE 91 Cb -0.11 -0.30 -0.04 0.00 0.13 0.00 0.00 42.46 42.14 5tim s ILE 91 CO 0.01 -0.20 0.10 -0.69 -1.91 0.00 0.00 174.94 172.24 5tim s VAL 92 N -0.68 4.89 0.05 4.00 1.01 0.23 -0.05 120.40 129.85 5tim s VAL 92 Ca -0.08 0.01 0.05 0.00 0.00 0.00 0.00 61.98 61.96 5tim s VAL 92 Cb -0.05 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 5tim s VAL 92 CO 0.01 0.40 -0.13 -0.76 0.00 0.00 0.00 175.10 174.61 5tim s LEU 93 N 0.83 2.20 -1.00 3.92 1.43 0.30 -3.21 118.68 123.16 5tim s LEU 93 Ca 0.05 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.65 5tim s LEU 93 Cb -0.13 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.56 5tim s LEU 93 CO 0.02 -0.01 0.09 0.61 0.23 0.00 0.00 176.35 177.29 5tim n GLY 94 N 1.75 -0.10 3.73 -3.19 0.00 -1.26 -1.44 105.19 104.67 5tim n GLY 94 Ca -0.19 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 5tim n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 5tim n HIS 95 N -4.00 2.40 0.15 1.61 -0.00 -1.26 -4.39 115.22 109.72 5tim n HIS 95 Ca -0.12 0.48 0.17 0.00 0.46 0.00 0.00 57.72 58.70 5tim n HIS 95 Cb 0.60 -2.42 0.75 0.00 -0.12 0.00 0.00 29.99 28.80 5tim n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 5tim h SER 96 N 2.23 0.00 0.09 0.26 4.64 -1.93 -0.54 113.55 118.29 5tim h SER 96 Ca -0.49 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.75 5tim h SER 96 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 5tim h SER 96 CO 0.61 0.00 -0.27 -0.33 -0.87 0.00 0.00 176.83 175.96 5tim h GLU 97 N 0.00 0.30 -0.02 4.77 5.08 -1.98 0.24 114.58 122.97 5tim h GLU 97 Ca 0.13 -0.11 -0.25 0.00 -1.00 0.00 0.00 59.36 58.13 5tim h GLU 97 Cb 0.58 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.83 5tim h GLU 97 CO -0.00 0.55 -0.98 0.00 -1.00 0.00 0.00 179.01 177.58 5tim h ARG 98 N 0.27 0.64 -0.02 2.33 3.08 -1.46 0.48 114.38 119.70 5tim h ARG 98 Ca 0.04 -0.66 -0.00 0.00 0.07 0.00 0.00 59.98 59.42 5tim h ARG 98 Cb 0.63 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 5tim h ARG 98 CO 0.05 1.26 0.01 0.00 -1.07 0.00 0.00 179.97 180.21 5tim h ARG 99 N 0.38 0.04 -0.13 0.04 3.08 -1.24 0.51 114.38 117.05 5tim h ARG 99 Ca -0.11 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.78 5tim h ARG 99 Cb 1.62 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.67 5tim h ARG 99 CO 0.19 0.22 -0.53 0.00 -1.07 0.00 0.00 179.97 178.78 5tim h ALA 100 N 0.82 0.24 0.00 0.04 0.00 -0.53 -3.31 119.26 116.53 5tim h ALA 100 Ca 0.01 -0.51 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 5tim h ALA 100 Cb 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 5tim h ALA 100 CO -0.00 0.44 -1.85 0.66 0.00 0.00 0.00 179.25 178.51 5tim n TYR 101 N -4.18 0.00 -1.36 0.00 4.01 0.17 -4.65 117.16 111.14 5tim n TYR 101 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 5tim n TYR 101 Cb 0.61 -0.56 0.21 0.00 -0.31 0.00 0.00 39.34 39.29 5tim n TYR 101 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 5tim n TYR 102 N -2.33 0.84 -3.07 -0.72 4.01 0.17 -4.95 117.16 111.11 5tim n TYR 102 Ca -0.15 -1.42 -0.22 0.00 -0.16 0.00 0.00 57.90 55.95 5tim n TYR 102 Cb 0.75 -0.41 0.02 0.00 -0.31 0.00 0.00 39.34 39.39 5tim n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 5tim n GLY 103 N -1.05 -0.51 3.59 2.72 0.00 -1.03 -4.89 105.19 104.02 5tim n GLY 103 Ca 0.28 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 5tim n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5tim s GLU 104 N -5.73 3.78 0.74 1.61 2.02 -0.67 -4.98 118.70 115.46 5tim s GLU 104 Ca 0.31 0.30 -0.07 0.00 0.02 0.00 0.00 54.97 55.53 5tim s GLU 104 Cb -0.14 -3.79 0.09 0.00 0.10 0.00 0.00 34.13 30.39 5tim s GLU 104 CO 0.38 -0.78 1.05 0.95 0.02 0.00 0.00 175.26 176.88 5tim s THR 105 N 2.96 2.22 0.44 3.63 -4.23 -1.26 -4.40 115.64 115.00 5tim s THR 105 Ca 0.30 -0.31 0.20 0.00 -1.18 0.00 0.00 61.69 60.69 5tim s THR 105 Cb -0.14 -2.92 0.39 0.00 1.34 0.00 0.00 72.50 71.18 5tim s THR 105 CO 0.15 0.00 1.87 0.78 -0.54 0.00 0.00 174.62 176.89 5tim h ASN 106 N -0.72 0.33 -0.09 3.99 2.35 -1.98 -1.07 115.58 118.39 5tim h ASN 106 Ca -0.43 0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.26 5tim h ASN 106 Cb 1.29 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.64 5tim h ASN 106 CO 0.53 0.14 -0.31 1.05 -1.65 0.00 0.00 177.43 177.18 5tim h GLU 107 N 0.33 0.37 -0.69 0.81 9.09 -1.96 -0.85 114.58 121.69 5tim h GLU 107 Ca 0.44 -0.28 0.06 0.00 0.05 0.00 0.00 59.36 59.64 5tim h GLU 107 Cb 1.20 0.05 -0.06 0.00 -1.65 0.00 0.00 28.75 28.29 5tim h GLU 107 CO -0.14 0.90 0.39 0.82 0.05 0.00 0.00 179.01 181.03 5tim h ILE 108 N -0.09 0.97 -0.34 -1.06 2.04 -1.80 -0.78 117.51 116.46 5tim h ILE 108 Ca -0.01 -0.24 -0.13 0.00 1.00 0.00 0.00 64.86 65.47 5tim h ILE 108 Cb 0.94 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 5tim h ILE 108 CO 0.07 0.13 -0.32 0.58 0.00 0.00 0.00 178.15 178.60 5tim h VAL 109 N 0.71 1.28 -0.68 1.67 2.07 -1.08 -1.95 116.25 118.28 5tim h VAL 109 Ca 0.31 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 5tim h VAL 109 Cb 0.19 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 5tim h VAL 109 CO -0.18 0.48 0.32 0.00 0.02 0.00 0.00 177.57 178.21 5tim h ALA 110 N 1.01 0.88 -0.28 1.67 0.00 -0.54 -0.78 119.26 121.22 5tim h ALA 110 Ca 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 5tim h ALA 110 Cb 0.85 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 5tim h ALA 110 CO 0.07 0.45 0.17 -0.44 0.00 0.00 0.00 179.25 179.50 5tim h ASP 111 N 0.95 0.34 -0.57 0.00 3.32 -1.04 -0.88 116.42 118.55 5tim h ASP 111 Ca 0.23 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 5tim h ASP 111 Cb 0.13 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 5tim h ASP 111 CO -0.03 0.30 0.31 0.11 -1.72 0.00 0.00 179.24 178.21 5tim h LYS 112 N 0.36 0.79 -0.23 3.56 1.57 -1.11 -1.33 116.57 120.17 5tim h LYS 112 Ca 0.10 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 5tim h LYS 112 Cb 0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 5tim h LYS 112 CO -0.02 0.61 -0.14 0.28 -0.57 0.00 0.00 179.45 179.61 5tim h VAL 113 N 0.77 1.31 -0.62 0.50 2.07 -1.07 -1.31 116.25 117.89 5tim h VAL 113 Ca 0.20 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 5tim h VAL 113 Cb 0.04 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 5tim h VAL 113 CO -0.03 0.38 0.21 0.00 0.02 0.00 0.00 177.57 178.15 5tim h ALA 114 N 0.70 0.81 -0.05 1.67 0.00 -1.01 -1.34 119.26 120.06 5tim h ALA 114 Ca 0.05 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.80 5tim h ALA 114 Cb 0.65 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 5tim h ALA 114 CO 0.04 0.47 -0.23 0.00 0.00 0.00 0.00 179.25 179.53 5tim h ALA 115 N 1.08 -0.27 -0.63 0.00 0.00 -1.19 0.70 119.26 118.95 5tim h ALA 115 Ca 0.20 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.14 5tim h ALA 115 Cb 0.27 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 5tim h ALA 115 CO -0.01 -0.72 0.40 0.00 0.00 0.00 0.00 179.25 178.92 5tim h ALA 116 N 0.55 0.81 -0.85 0.00 0.00 -0.99 -1.02 119.26 117.76 5tim h ALA 116 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.97 5tim h ALA 116 Cb 0.44 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 5tim h ALA 116 CO -0.24 0.18 0.56 0.28 0.00 0.00 0.00 179.25 180.03 5tim h VAL 117 N 0.80 1.21 -0.44 0.00 2.07 -1.07 -1.47 116.25 117.36 5tim h VAL 117 Ca 0.24 -0.39 -0.14 0.00 0.82 0.00 0.00 66.70 67.23 5tim h VAL 117 Cb -0.04 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 5tim h VAL 117 CO -0.08 0.21 -0.26 0.00 0.02 0.00 0.00 177.57 177.46 5tim h ALA 118 N 1.47 0.62 0.00 1.67 0.00 0.04 -2.55 119.26 120.51 5tim h ALA 118 Ca 0.31 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.82 5tim h ALA 118 Cb -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.53 5tim h ALA 118 CO -0.07 0.64 0.00 0.43 0.00 0.00 0.00 179.25 180.24 5tim n SER 119 N -4.13 0.00 0.00 0.00 7.64 -0.47 -4.88 113.62 111.78 5tim n SER 119 Ca -0.01 -1.39 0.00 0.00 1.01 0.00 0.00 58.87 58.48 5tim n SER 119 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 5tim n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 5tim n GLY 120 N 0.50 0.63 3.86 0.23 0.00 -0.96 -5.06 105.19 104.39 5tim n GLY 120 Ca 0.08 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 5tim n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 5tim s PHE 121 N -2.00 3.53 -0.22 1.61 0.40 -0.60 -4.99 117.98 115.71 5tim s PHE 121 Ca 0.00 1.31 -0.19 0.00 -0.60 0.00 0.00 56.93 57.45 5tim s PHE 121 Cb 0.00 -2.69 -0.03 0.00 0.51 0.00 0.00 43.02 40.81 5tim s PHE 121 CO 0.00 -0.46 0.53 -1.64 0.70 0.00 0.00 175.22 174.35 5tim s MET 122 N -4.53 4.16 -0.12 0.44 -1.94 0.52 -4.47 119.30 113.36 5tim s MET 122 Ca 0.56 0.41 -0.01 0.00 -1.71 0.00 0.00 55.69 54.94 5tim s MET 122 Cb -0.10 -3.59 -0.02 0.00 2.01 0.00 0.00 34.83 33.12 5tim s MET 122 CO 0.41 -0.22 -0.09 0.08 -0.01 0.00 0.00 175.02 175.20 5tim s VAL 123 N 1.86 3.46 -0.42 -6.03 1.01 0.78 -0.59 120.40 120.47 5tim s VAL 123 Ca 0.24 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 5tim s VAL 123 Cb -0.15 -2.46 0.06 0.00 0.00 0.00 0.00 36.38 33.83 5tim s VAL 123 CO 0.09 0.53 0.28 -0.63 0.00 0.00 0.00 175.10 175.38 5tim s ILE 124 N 0.05 4.57 -0.26 2.22 1.01 0.93 -0.14 121.20 129.58 5tim s ILE 124 Ca -0.02 -1.17 -0.12 0.00 0.00 0.00 0.00 60.65 59.34 5tim s ILE 124 Cb -0.14 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 5tim s ILE 124 CO 0.04 -0.45 0.22 0.00 0.00 0.00 0.00 174.94 174.74 5tim s ALA 125 N 1.51 3.57 -0.11 9.38 0.00 0.20 -0.54 121.76 135.77 5tim s ALA 125 Ca 0.03 -0.94 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 5tim s ALA 125 Cb -0.22 -2.46 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 5tim s ALA 125 CO 0.04 -0.40 0.30 0.00 0.00 0.00 0.00 175.76 175.70 5tim s ILE 127 N -0.16 0.29 0.00 0.00 -4.36 0.90 -4.69 121.20 113.18 5tim s ILE 127 Ca 0.18 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 5tim s ILE 127 Cb -0.14 -1.27 0.00 0.00 1.25 0.00 0.00 42.46 42.30 5tim s ILE 127 CO 0.06 -0.86 0.00 0.61 0.24 0.00 0.00 174.94 175.00 5tim n GLY 128 N 0.43 2.76 3.78 6.27 0.00 -1.26 -0.49 105.19 116.67 5tim n GLY 128 Ca -0.16 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 5tim n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 5tim s GLU 129 N -2.00 2.81 0.52 1.61 1.03 -1.26 -4.78 118.70 116.63 5tim s GLU 129 Ca 0.00 -0.97 -0.01 0.00 0.03 0.00 0.00 54.97 54.02 5tim s GLU 129 Cb 0.00 -2.56 0.01 0.00 -0.80 0.00 0.00 34.13 30.78 5tim s GLU 129 CO 0.00 0.46 0.77 0.95 -1.33 0.00 0.00 175.26 176.11 5tim s THR 130 N -1.86 3.49 0.17 1.83 -4.23 -1.26 0.04 115.64 113.82 5tim s THR 130 Ca 0.31 -0.40 -0.23 0.00 -1.18 0.00 0.00 61.69 60.19 5tim s THR 130 Cb -0.09 -3.33 0.07 0.00 1.34 0.00 0.00 72.50 70.49 5tim s THR 130 CO 0.23 -0.27 1.59 0.25 -0.54 0.00 0.00 174.62 175.88 5tim h LEU 131 N 0.12 -1.18 -0.13 4.79 7.12 -1.96 -1.57 115.31 122.50 5tim h LEU 131 Ca -0.45 0.21 0.01 0.00 0.13 0.00 0.00 57.88 57.78 5tim h LEU 131 Cb 1.27 0.56 -0.02 0.00 -0.53 0.00 0.00 40.66 41.94 5tim h LEU 131 CO 0.57 -0.32 -0.08 1.67 -0.13 0.00 0.00 178.44 180.15 5tim n GLN 132 N -5.42 -0.06 -0.13 1.25 7.27 -1.26 -0.72 117.38 118.31 5tim n GLN 132 Ca 0.02 1.03 -0.04 0.00 0.07 0.00 0.00 57.00 58.08 5tim n GLN 132 Cb 0.35 -1.53 0.04 0.00 2.41 0.00 0.00 30.24 31.50 5tim n GLN 132 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 5tim h GLU 133 N 0.00 0.09 -0.90 3.69 5.08 -1.79 -1.28 114.58 119.49 5tim h GLU 133 Ca 0.02 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 5tim h GLU 133 Cb 0.05 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 5tim h GLU 133 CO -0.12 0.06 0.57 -0.09 -1.00 0.00 0.00 179.01 178.43 5tim h ARG 134 N 0.10 1.02 0.00 2.33 2.43 -0.75 -0.80 114.38 118.70 5tim h ARG 134 Ca 0.22 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 5tim h ARG 134 Cb 0.32 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 5tim h ARG 134 CO -0.37 0.68 -0.38 0.93 -1.51 0.00 0.00 179.97 179.32 5tim h GLU 135 N 1.05 0.00 -0.06 0.20 5.08 -0.15 0.19 114.58 120.89 5tim h GLU 135 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 5tim h GLU 135 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 5tim h GLU 135 CO -0.16 0.38 0.00 0.43 -1.00 0.00 0.00 179.01 178.66 5tim n SER 136 N -3.60 0.36 -3.38 1.42 7.64 -0.55 -4.91 113.62 110.60 5tim n SER 136 Ca -0.01 -1.87 -0.24 0.00 1.01 0.00 0.00 58.87 57.76 5tim n SER 136 Cb 0.50 -0.04 0.01 0.00 -1.01 0.00 0.00 64.21 63.66 5tim n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 5tim n GLY 137 N 0.67 -0.49 0.45 0.23 0.00 0.68 -4.88 105.19 101.85 5tim n GLY 137 Ca 0.05 0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.23 5tim n GLY 137 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 5tim n ARG 138 N -3.94 2.88 -0.11 1.61 1.85 -0.35 -4.81 116.66 113.79 5tim n ARG 138 Ca -0.03 -1.94 -0.06 0.00 -1.00 0.00 0.00 57.85 54.83 5tim n ARG 138 Cb 0.56 -1.22 0.01 0.00 -1.05 0.00 0.00 32.46 30.75 5tim n ARG 138 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 5tim h THR 139 N 1.38 0.40 -0.52 8.89 2.02 -1.86 -2.26 112.91 120.96 5tim h THR 139 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 5tim h THR 139 Cb 0.70 0.40 -0.07 0.00 -1.74 0.00 0.00 68.15 67.44 5tim h THR 139 CO 0.01 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.04 5tim h ALA 140 N 1.08 0.61 -0.16 6.16 0.00 -1.96 -1.38 119.26 123.62 5tim h ALA 140 Ca 0.19 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 5tim h ALA 140 Cb 0.44 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 5tim h ALA 140 CO -0.48 -0.27 0.09 0.28 0.00 0.00 0.00 179.25 178.88 5tim h VAL 141 N 0.29 1.08 0.14 0.00 2.07 -1.88 -1.35 116.25 116.61 5tim h VAL 141 Ca 0.26 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 5tim h VAL 141 Cb 0.33 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 5tim h VAL 141 CO -0.30 0.08 -0.07 0.58 0.02 0.00 0.00 177.57 177.88 5tim h VAL 142 N 0.17 0.93 -0.14 2.57 2.07 -1.16 -0.13 116.25 120.56 5tim h VAL 142 Ca 0.06 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 5tim h VAL 142 Cb 0.05 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 5tim h VAL 142 CO -0.01 0.07 0.06 -0.37 0.02 0.00 0.00 177.57 177.34 5tim h VAL 143 N -0.33 1.15 -0.73 2.57 -1.51 -1.20 -0.13 116.25 116.07 5tim h VAL 143 Ca -0.02 -0.45 0.02 0.00 -1.23 0.00 0.00 66.70 65.02 5tim h VAL 143 Cb 0.26 1.19 -0.04 0.00 -2.13 0.00 0.00 31.29 30.57 5tim h VAL 143 CO 0.03 0.14 0.47 -0.07 -1.23 0.00 0.00 177.57 176.91 5tim h LEU 144 N 0.07 0.80 -1.19 4.19 3.38 -1.27 -1.79 115.31 119.50 5tim h LEU 144 Ca 0.05 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 5tim h LEU 144 Cb 0.17 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 5tim h LEU 144 CO -0.00 0.56 0.05 0.74 0.09 0.00 0.00 178.44 179.87 5tim h THR 145 N 0.94 1.20 -0.01 0.22 2.02 -0.83 -0.31 112.91 116.15 5tim h THR 145 Ca 0.28 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 5tim h THR 145 Cb -0.04 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 5tim h THR 145 CO -0.09 0.27 -0.00 1.56 0.37 0.00 0.00 175.52 177.63 5tim h GLN 146 N 0.59 0.01 -0.37 6.66 4.20 -0.29 -2.69 115.11 123.22 5tim h GLN 146 Ca 0.13 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 5tim h GLN 146 Cb 0.30 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 5tim h GLN 146 CO 0.00 0.41 0.15 0.97 -0.67 0.00 0.00 178.83 179.69 5tim h ILE 147 N -0.39 1.19 -1.00 2.54 -0.00 -1.36 -3.07 117.51 115.42 5tim h ILE 147 Ca 0.00 -0.59 0.12 0.00 -0.00 0.00 0.00 64.86 64.39 5tim h ILE 147 Cb 0.41 0.89 -0.08 0.00 -0.00 0.00 0.00 36.82 38.03 5tim h ILE 147 CO 0.00 0.21 0.63 0.00 -0.00 0.00 0.00 178.15 178.99 5tim h ALA 148 N 0.99 1.50 -0.43 0.18 0.00 -1.08 0.28 119.26 120.69 5tim h ALA 148 Ca 0.12 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 5tim h ALA 148 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 5tim h ALA 148 CO -0.01 0.23 0.26 0.00 0.00 0.00 0.00 179.25 179.73 5tim h ALA 149 N 1.53 0.55 0.19 0.00 0.00 -1.39 -2.04 119.26 118.11 5tim h ALA 149 Ca 0.49 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 5tim h ALA 149 Cb 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.10 5tim h ALA 149 CO -0.26 0.04 -0.09 0.82 0.00 0.00 0.00 179.25 179.75 5tim h ILE 150 N 0.57 0.89 -0.95 0.00 2.04 -1.32 -3.09 117.51 115.66 5tim h ILE 150 Ca 0.15 -0.39 0.16 0.00 1.00 0.00 0.00 64.86 65.78 5tim h ILE 150 Cb -0.01 1.12 -0.08 0.00 -0.74 0.00 0.00 36.82 37.12 5tim h ILE 150 CO -0.03 0.09 0.60 0.00 0.00 0.00 0.00 178.15 178.81 5tim h ALA 151 N 0.32 1.78 -0.25 1.87 0.00 -0.86 -1.34 119.26 120.79 5tim h ALA 151 Ca -0.03 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.99 5tim h ALA 151 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 5tim h ALA 151 CO 0.04 -0.06 0.55 -0.22 0.00 0.00 0.00 179.25 179.56 5tim h LYS 152 N 0.74 0.00 -0.05 0.00 3.64 -1.28 -0.44 116.57 119.18 5tim h LYS 152 Ca 0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 5tim h LYS 152 Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 5tim h LYS 152 CO -0.26 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.55 5tim n LYS 153 N -3.15 0.61 -4.13 1.90 5.02 -0.51 -5.02 118.16 112.88 5tim n LYS 153 Ca 0.04 -1.07 -0.23 0.00 -2.02 0.00 0.00 58.31 55.03 5tim n LYS 153 Cb 0.66 -1.11 -0.06 0.00 -0.02 0.00 0.00 35.03 34.50 5tim n LYS 153 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 5tim s LEU 154 N -0.59 3.36 0.16 -0.35 1.43 -0.18 -4.85 118.68 117.67 5tim s LEU 154 Ca 0.07 -0.63 0.04 0.00 -1.03 0.00 0.00 54.13 52.59 5tim s LEU 154 Cb 0.05 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 5tim s LEU 154 CO 0.07 -0.17 0.20 -0.54 0.23 0.00 0.00 176.35 176.13 5tim s LYS 155 N -3.81 3.11 0.35 1.70 3.01 -1.26 -4.96 119.74 117.87 5tim s LYS 155 Ca 0.35 -0.77 0.08 0.00 -1.01 0.00 0.00 55.97 54.63 5tim s LYS 155 Cb -0.05 -2.77 0.79 0.00 -1.01 0.00 0.00 37.83 34.80 5tim s LYS 155 CO 0.23 0.50 1.86 -0.22 0.51 0.00 0.00 175.35 178.22 5tim h LYS 156 N 2.27 0.70 -0.94 1.68 3.64 -1.97 0.25 116.57 122.19 5tim h LYS 156 Ca -0.48 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 58.94 5tim h LYS 156 Cb 1.20 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.80 5tim h LYS 156 CO 0.65 0.46 0.61 0.00 -2.27 0.00 0.00 179.45 178.90 5tim h ALA 157 N 1.60 1.51 -0.53 5.00 0.00 -2.01 -2.21 119.26 122.61 5tim h ALA 157 Ca 0.47 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.50 5tim h ALA 157 Cb 0.73 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 5tim h ALA 157 CO -0.23 0.33 0.38 -0.44 0.00 0.00 0.00 179.25 179.29 5tim h ASP 158 N 1.04 0.07 -0.37 0.00 3.32 -0.87 -2.93 116.42 116.68 5tim h ASP 158 Ca 0.42 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.58 5tim h ASP 158 Cb 0.27 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 5tim h ASP 158 CO -0.17 0.04 0.33 -0.50 -1.72 0.00 0.00 179.24 177.21 5tim h TRP 159 N 0.07 0.00 0.00 4.55 4.06 -1.41 -1.14 115.95 122.08 5tim h TRP 159 Ca 0.25 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.19 5tim h TRP 159 Cb 0.91 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.06 5tim h TRP 159 CO -0.00 0.00 -0.04 0.00 -3.56 0.00 0.00 178.44 174.84 5tim h ALA 160 N 1.69 1.31 -0.00 1.49 0.00 -1.72 -2.27 119.26 119.76 5tim h ALA 160 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 5tim h ALA 160 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 5tim h ALA 160 CO -0.00 0.06 -0.53 1.63 0.00 0.00 0.00 179.25 180.40 5tim n LYS 161 N -3.59 0.42 -3.90 0.00 4.76 -0.43 -4.94 118.16 110.48 5tim n LYS 161 Ca -0.02 -0.29 -0.36 0.00 -2.87 0.00 0.00 58.31 54.77 5tim n LYS 161 Cb 0.15 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 31.77 5tim n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 5tim s VAL 162 N -2.78 5.31 -0.09 -0.18 1.01 -0.86 -0.16 120.40 122.66 5tim s VAL 162 Ca 0.15 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.30 5tim s VAL 162 Cb 0.18 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 33.22 5tim s VAL 162 CO 0.66 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 175.47 5tim s VAL 163 N -0.53 1.47 -0.12 2.92 1.01 0.80 -4.58 120.40 121.37 5tim s VAL 163 Ca 0.12 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 5tim s VAL 163 Cb -0.12 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 5tim s VAL 163 CO 0.02 0.43 0.54 -0.63 0.00 0.00 0.00 175.10 175.46 5tim s ILE 164 N 0.70 5.13 -0.18 2.22 -1.09 -0.17 0.62 121.20 128.43 5tim s ILE 164 Ca -0.13 1.08 -0.01 0.00 -2.23 0.00 0.00 60.65 59.36 5tim s ILE 164 Cb -0.16 -3.88 -0.00 0.00 -1.58 0.00 0.00 42.46 36.84 5tim s ILE 164 CO 0.03 0.28 -0.11 0.00 -1.23 0.00 0.00 174.94 173.91 5tim s ALA 165 N 0.87 2.63 -0.49 9.38 0.00 0.25 0.00 121.76 134.41 5tim s ALA 165 Ca 0.29 -1.08 -0.16 0.00 0.00 0.00 0.00 51.96 51.01 5tim s ALA 165 Cb -0.16 -1.41 0.08 0.00 0.00 0.00 0.00 23.12 21.64 5tim s ALA 165 CO 0.12 -0.17 0.43 -0.47 0.00 0.00 0.00 175.76 175.68 5tim s TYR 166 N 1.03 3.23 -0.36 0.00 5.04 0.18 -0.07 117.35 126.41 5tim s TYR 166 Ca -0.01 -0.97 0.03 0.00 -2.44 0.00 0.00 57.07 53.68 5tim s TYR 166 Cb -0.15 -3.32 0.10 0.00 0.35 0.00 0.00 41.96 38.95 5tim s TYR 166 CO -0.02 -0.86 0.09 -1.83 -1.34 0.00 0.00 175.55 171.59 5tim s GLU 167 N 1.71 1.40 -0.37 4.97 -1.05 0.35 -1.06 118.70 124.65 5tim s GLU 167 Ca 0.05 -1.83 -0.29 0.00 -0.15 0.00 0.00 54.97 52.74 5tim s GLU 167 Cb -0.25 -2.99 -0.08 0.00 -0.44 0.00 0.00 34.13 30.37 5tim s GLU 167 CO 0.06 -0.97 2.30 -0.35 0.95 0.00 0.00 175.26 177.25 5tim n PRO 168 N 4.20 1.37 -0.34 -4.83 -0.05 -1.24 -4.34 135.00 129.77 5tim n PRO 168 Ca 0.03 0.29 0.22 0.00 -0.05 0.00 0.00 63.50 63.99 5tim n PRO 168 Cb 0.41 -3.02 0.47 0.00 -0.05 0.00 0.00 33.50 31.31 5tim n PRO 168 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73 5tim h VAL 169 N 7.35 0.49 -0.21 0.52 2.07 -0.70 1.11 116.25 126.89 5tim h VAL 169 Ca -0.31 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.09 5tim h VAL 169 Cb 1.27 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 5tim h VAL 169 CO 1.06 0.08 0.14 4.11 0.02 0.00 0.00 177.57 182.98 5tim h TRP 170 N 0.43 0.16 0.00 1.57 5.08 -1.86 -2.71 115.95 118.63 5tim h TRP 170 Ca 0.63 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.61 5tim h TRP 170 Cb 1.49 -0.05 0.00 0.00 -3.00 0.00 0.00 29.16 27.59 5tim h TRP 170 CO -0.00 0.10 0.00 0.00 -1.28 0.00 0.00 178.44 177.25 5tim n ALA 171 N -2.53 2.53 -2.57 0.11 0.00 0.38 -4.67 120.51 113.76 5tim n ALA 171 Ca 0.01 -0.14 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 5tim n ALA 171 Cb 0.16 -1.37 -0.11 0.00 0.00 0.00 0.00 19.45 18.14 5tim n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 5tim s ILE 172 N -2.00 5.29 -1.76 0.00 1.01 -1.02 -2.29 121.20 120.42 5tim s ILE 172 Ca 0.34 0.07 0.00 0.00 0.00 0.00 0.00 60.65 61.06 5tim s ILE 172 Cb 0.16 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 39.02 5tim s ILE 172 CO 0.26 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.97 5tim n GLY 173 N 5.05 0.21 0.00 6.18 0.00 -1.26 -4.86 105.19 110.52 5tim n GLY 173 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.81 5tim n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 5tim n THR 174 N -3.58 0.00 0.00 2.61 -2.24 -1.26 -4.99 114.28 104.82 5tim n THR 174 Ca -0.22 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 5tim n THR 174 Cb 0.66 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 5tim n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 5tim n GLY 175 N 1.14 3.04 3.57 3.38 0.00 -1.26 -4.97 105.19 110.09 5tim n GLY 175 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 5tim n GLY 175 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 5tim n LYS 176 N -2.00 2.74 -2.13 1.61 0.00 -1.26 -4.94 118.16 112.17 5tim n LYS 176 Ca 0.00 -3.04 -0.36 0.00 0.00 0.00 0.00 58.31 54.91 5tim n LYS 176 Cb 0.00 -3.56 0.01 0.00 0.00 0.00 0.00 35.03 31.48 5tim n LYS 176 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 5tim s VAL 177 N 6.18 2.87 0.84 3.15 1.01 -1.26 -4.16 120.40 129.02 5tim s VAL 177 Ca 0.58 0.57 -0.12 0.00 0.00 0.00 0.00 61.98 63.01 5tim s VAL 177 Cb 0.03 -3.24 0.09 0.00 0.00 0.00 0.00 36.38 33.26 5tim s VAL 177 CO 0.10 -0.09 1.10 0.00 0.00 0.00 0.00 175.10 176.20 5tim s ALA 178 N -1.63 2.00 0.54 5.51 0.00 -1.26 -4.99 121.76 121.93 5tim s ALA 178 Ca 0.73 -0.18 -0.14 0.00 0.00 0.00 0.00 51.96 52.37 5tim s ALA 178 Cb -0.28 -3.13 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 5tim s ALA 178 CO 0.32 -1.95 0.97 0.95 0.00 0.00 0.00 175.76 176.05 5tim s THR 179 N -3.10 4.62 0.66 0.00 -4.23 -1.26 -4.90 115.64 107.44 5tim s THR 179 Ca 0.62 1.02 0.36 0.00 -1.18 0.00 0.00 61.69 62.51 5tim s THR 179 Cb -0.15 -3.77 0.37 0.00 1.34 0.00 0.00 72.50 70.28 5tim s THR 179 CO 0.55 -0.83 2.13 -0.65 -0.54 0.00 0.00 174.62 175.28 5tim h PRO 180 N 0.52 0.00 0.11 3.99 0.10 -1.94 -1.25 132.00 133.53 5tim h PRO 180 Ca -0.46 0.00 -0.28 0.00 0.10 0.00 0.00 66.00 65.36 5tim h PRO 180 Cb 1.19 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.28 5tim h PRO 180 CO 0.62 0.00 -1.38 -0.56 0.10 0.00 0.00 178.00 176.78 5tim h GLN 181 N 0.00 0.22 -0.35 1.05 -0.00 -1.97 -2.16 115.11 111.90 5tim h GLN 181 Ca 0.01 -0.38 -0.13 0.00 -0.00 0.00 0.00 58.65 58.15 5tim h GLN 181 Cb 0.37 0.14 -0.01 0.00 -0.00 0.00 0.00 27.48 27.98 5tim h GLN 181 CO -0.00 1.11 -0.30 1.96 -0.00 0.00 0.00 178.83 181.61 5tim h GLN 182 N 0.06 0.75 -0.13 0.06 4.20 -1.62 -1.93 115.11 116.51 5tim h GLN 182 Ca -0.18 -0.34 -0.07 0.00 0.06 0.00 0.00 58.65 58.11 5tim h GLN 182 Cb 1.98 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.74 5tim h GLN 182 CO 0.17 0.96 -0.21 0.00 -0.67 0.00 0.00 178.83 179.08 5tim h ALA 183 N 1.02 0.20 -0.52 3.87 0.00 -1.49 -2.29 119.26 120.04 5tim h ALA 183 Ca 0.07 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 5tim h ALA 183 Cb 0.83 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 5tim h ALA 183 CO 0.07 0.14 0.04 0.37 0.00 0.00 0.00 179.25 179.88 5tim h GLN 184 N -0.04 0.85 -0.19 0.00 5.75 -1.40 0.27 115.11 120.36 5tim h GLN 184 Ca 0.01 -0.22 -0.13 0.00 -0.15 0.00 0.00 58.65 58.17 5tim h GLN 184 Cb 0.78 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.23 5tim h GLN 184 CO 0.05 0.83 -0.37 1.05 -2.65 0.00 0.00 178.83 177.73 5tim h GLU 185 N 0.80 0.59 -0.04 1.69 4.11 -1.31 0.99 114.58 121.40 5tim h GLU 185 Ca 0.16 -0.38 0.03 0.00 0.07 0.00 0.00 59.36 59.24 5tim h GLU 185 Cb 0.42 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 5tim h GLU 185 CO 0.01 0.99 -0.15 0.00 0.07 0.00 0.00 179.01 179.93 5tim h ALA 186 N 0.60 -0.14 -0.34 1.06 0.00 -1.33 -0.29 119.26 118.81 5tim h ALA 186 Ca 0.01 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.97 5tim h ALA 186 Cb 0.97 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 5tim h ALA 186 CO 0.08 -0.63 0.13 0.45 0.00 0.00 0.00 179.25 179.28 5tim h HIS 187 N -0.23 0.23 -0.73 0.00 3.86 -0.92 -0.48 115.15 116.88 5tim h HIS 187 Ca 0.07 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 5tim h HIS 187 Cb 0.32 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 5tim h HIS 187 CO -0.23 0.11 0.30 0.00 0.86 0.00 0.00 177.93 178.97 5tim h ALA 188 N 1.21 1.15 -0.25 2.45 0.00 -0.66 -2.50 119.26 120.66 5tim h ALA 188 Ca 0.15 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.93 5tim h ALA 188 Cb 0.11 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 5tim h ALA 188 CO -0.14 0.61 -0.04 1.25 0.00 0.00 0.00 179.25 180.93 5tim h LEU 189 N 1.05 -0.19 0.05 0.00 5.85 -0.43 -1.51 115.31 120.13 5tim h LEU 189 Ca 0.25 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.06 5tim h LEU 189 Cb 0.19 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 5tim h LEU 189 CO -0.02 -0.06 -0.28 0.40 -0.34 0.00 0.00 178.44 178.14 5tim h ILE 190 N 0.02 0.38 -0.95 4.05 2.04 -0.91 -0.63 117.51 121.51 5tim h ILE 190 Ca 0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.05 5tim h ILE 190 Cb 0.18 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 5tim h ILE 190 CO -0.24 0.00 0.62 -0.09 0.00 0.00 0.00 178.15 178.44 5tim h ARG 191 N -0.45 1.06 -0.46 2.37 2.43 -1.41 -1.22 114.38 116.71 5tim h ARG 191 Ca 0.05 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 5tim h ARG 191 Cb 0.51 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 5tim h ARG 191 CO -0.21 0.70 -0.03 0.66 -1.51 0.00 0.00 179.97 179.59 5tim h SER 192 N 1.09 0.81 -0.24 -3.80 4.64 -1.03 0.10 113.55 115.13 5tim h SER 192 Ca 0.41 -0.32 0.03 0.00 -0.47 0.00 0.00 61.79 61.44 5tim h SER 192 Cb 0.20 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 5tim h SER 192 CO -0.16 0.94 0.07 -0.25 -0.87 0.00 0.00 176.83 176.56 5tim h TRP 193 N 0.67 0.13 -0.40 4.77 7.01 -0.47 -2.38 115.95 125.28 5tim h TRP 193 Ca 0.13 0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.22 5tim h TRP 193 Cb 0.54 -0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 27.50 5tim h TRP 193 CO 0.04 0.06 -0.05 0.28 -2.79 0.00 0.00 178.44 175.98 5tim h VAL 194 N 0.18 0.65 -0.48 2.65 2.07 -1.04 0.70 116.25 121.00 5tim h VAL 194 Ca 0.11 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 5tim h VAL 194 Cb 0.08 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 5tim h VAL 194 CO -0.12 0.01 0.09 0.77 0.02 0.00 0.00 177.57 178.34 5tim h SER 195 N 0.05 0.75 -0.09 0.57 4.64 -0.78 0.63 113.55 119.32 5tim h SER 195 Ca 0.19 -0.25 -0.24 0.00 -0.47 0.00 0.00 61.79 61.02 5tim h SER 195 Cb 0.29 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 62.19 5tim h SER 195 CO -0.37 0.81 -0.88 0.77 -0.87 0.00 0.00 176.83 176.30 5tim h SER 196 N 0.65 0.93 0.14 4.97 4.64 -1.19 -2.61 113.55 121.09 5tim h SER 196 Ca 0.15 -0.66 -0.24 0.00 -0.47 0.00 0.00 61.79 60.57 5tim h SER 196 Cb 0.38 -0.28 0.03 0.00 -0.31 0.00 0.00 62.40 62.21 5tim h SER 196 CO 0.01 1.46 -1.02 0.50 -0.87 0.00 0.00 176.83 176.91 5tim h LYS 197 N 0.49 0.44 0.00 4.77 3.64 0.43 -3.42 116.57 122.91 5tim h LYS 197 Ca -0.08 -0.66 -0.19 0.00 -1.27 0.00 0.00 60.65 58.45 5tim h LYS 197 Cb 1.52 0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 33.53 5tim h LYS 197 CO 0.18 1.30 -1.70 -0.89 -2.27 0.00 0.00 179.45 176.07 5tim n ILE 198 N -3.98 0.70 0.00 2.00 2.08 0.21 -5.04 119.36 115.33 5tim n ILE 198 Ca -0.14 -0.40 0.00 0.00 0.56 0.00 0.00 62.75 62.77 5tim n ILE 198 Cb 0.90 -0.77 0.00 0.00 -0.75 0.00 0.00 39.64 39.02 5tim n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 5tim n GLY 199 N 2.46 4.60 0.19 7.39 0.00 -0.80 -4.83 105.19 114.21 5tim n GLY 199 Ca -0.18 -1.05 -0.03 0.00 0.00 0.00 0.00 46.02 44.76 5tim n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5tim h ALA 200 N 0.00 1.03 0.09 4.61 0.00 -1.84 -1.08 119.26 122.07 5tim h ALA 200 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 5tim h ALA 200 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 5tim h ALA 200 CO 0.00 0.63 -0.08 0.38 0.00 0.00 0.00 179.25 180.18 5tim h ASP 201 N 0.21 -0.21 -0.24 0.00 2.03 -1.92 0.18 116.42 116.47 5tim h ASP 201 Ca 0.01 0.02 -0.01 0.00 -0.73 0.00 0.00 57.03 56.33 5tim h ASP 201 Cb 0.90 0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 39.46 5tim h ASP 201 CO 0.07 -0.13 0.12 0.58 -1.03 0.00 0.00 179.24 178.86 5tim h VAL 202 N -0.18 1.13 -0.76 4.15 2.07 -1.84 -2.69 116.25 118.12 5tim h VAL 202 Ca 0.00 -0.35 0.17 0.00 0.82 0.00 0.00 66.70 67.33 5tim h VAL 202 Cb 0.18 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 5tim h VAL 202 CO -0.02 0.13 0.52 0.00 0.02 0.00 0.00 177.57 178.21 5tim h ALA 203 N 1.00 2.22 0.00 1.67 0.00 -0.68 -1.85 119.26 121.62 5tim h ALA 203 Ca 0.08 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 5tim h ALA 203 Cb 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 5tim h ALA 203 CO -0.01 -0.43 -0.88 0.78 0.00 0.00 0.00 179.25 178.70 5tim h GLY 204 N 0.34 0.00 1.06 0.00 0.00 -0.34 -3.20 103.07 100.93 5tim h GLY 204 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 5tim h GLY 204 CO -0.11 0.00 -0.70 1.18 0.00 0.00 0.00 176.54 176.91 5tim n GLU 205 N -3.25 0.29 -2.03 4.80 -0.58 -0.74 -4.68 120.64 114.47 5tim n GLU 205 Ca -0.01 0.07 -0.42 0.00 -0.42 0.00 0.00 57.16 56.38 5tim n GLU 205 Cb 0.86 -1.67 -0.03 0.00 -0.57 0.00 0.00 31.44 30.03 5tim n GLU 205 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 5tim s LEU 206 N -4.18 4.34 -0.26 -4.62 2.96 -0.95 -4.90 118.68 111.07 5tim s LEU 206 Ca 0.06 2.33 -0.22 0.00 -0.22 0.00 0.00 54.13 56.08 5tim s LEU 206 Cb 0.14 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.26 5tim s LEU 206 CO 0.74 -0.85 0.72 -0.13 -1.32 0.00 0.00 176.35 175.50 5tim s ARG 207 N 2.85 4.09 -0.32 1.98 3.00 -1.26 -4.94 118.95 124.35 5tim s ARG 207 Ca 0.71 0.65 -0.03 0.00 0.00 0.00 0.00 55.73 57.05 5tim s ARG 207 Cb -0.36 -3.67 0.05 0.00 0.00 0.00 0.00 34.95 30.97 5tim s ARG 207 CO 0.30 -0.50 0.04 0.42 0.00 0.00 0.00 175.30 175.56 5tim s ILE 208 N 2.69 3.25 -0.10 1.52 1.01 -1.26 -1.00 121.20 127.30 5tim s ILE 208 Ca 0.30 -1.35 -0.10 0.00 0.00 0.00 0.00 60.65 59.50 5tim s ILE 208 Cb -0.15 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 5tim s ILE 208 CO 0.09 -0.16 0.22 -0.76 0.00 0.00 0.00 174.94 174.32 5tim s LEU 209 N 1.29 4.38 0.03 2.97 1.43 0.10 -0.79 118.68 128.09 5tim s LEU 209 Ca -0.03 0.57 -0.17 0.00 -1.03 0.00 0.00 54.13 53.47 5tim s LEU 209 Cb -0.20 -2.22 -0.06 0.00 0.03 0.00 0.00 46.19 43.74 5tim s LEU 209 CO -0.00 0.34 0.47 -0.47 0.23 0.00 0.00 176.35 176.92 5tim s TYR 210 N -0.77 3.76 0.00 0.29 5.04 -0.85 0.52 117.35 125.34 5tim s TYR 210 Ca 0.17 1.11 0.03 0.00 -2.44 0.00 0.00 57.07 55.93 5tim s TYR 210 Cb -0.13 -2.37 -0.01 0.00 0.35 0.00 0.00 41.96 39.80 5tim s TYR 210 CO 0.06 0.62 -0.08 0.20 -1.34 0.00 0.00 175.55 175.00 5tim s GLY 211 N -1.11 0.42 0.00 8.97 0.00 -0.23 -1.91 107.32 113.47 5tim s GLY 211 Ca 0.26 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.57 5tim s GLY 211 CO 0.16 -0.38 0.00 0.61 0.00 0.00 0.00 173.10 173.49 5tim n GLY 212 N 2.65 2.38 3.98 0.20 0.00 -1.26 -3.68 105.19 109.45 5tim n GLY 212 Ca -0.15 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 5tim n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 5tim n SER 213 N 0.00 -0.78 -4.74 1.61 7.64 -0.97 -4.54 113.62 111.84 5tim n SER 213 Ca 0.00 -1.06 -0.40 0.00 1.01 0.00 0.00 58.87 58.42 5tim n SER 213 Cb 0.00 -2.84 -0.05 0.00 -1.01 0.00 0.00 64.21 60.31 5tim n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 5tim s VAL 214 N -3.95 4.59 0.33 0.44 1.01 -1.26 -4.59 120.40 116.97 5tim s VAL 214 Ca 0.07 1.81 0.07 0.00 0.00 0.00 0.00 61.98 63.92 5tim s VAL 214 Cb -0.03 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 5tim s VAL 214 CO 0.90 0.37 0.26 0.54 0.00 0.00 0.00 175.10 177.18 5tim s ASN 215 N -0.19 1.70 0.27 3.32 2.20 -1.26 -4.66 114.94 116.31 5tim s ASN 215 Ca 0.41 -1.74 -0.00 0.00 -0.94 0.00 0.00 52.86 50.59 5tim s ASN 215 Cb -0.22 0.55 0.62 0.00 -2.00 0.00 0.00 41.25 40.20 5tim s ASN 215 CO 0.26 -1.05 1.66 1.23 -2.94 0.00 0.00 177.10 176.27 5tim h GLY 216 N 2.13 1.25 0.47 0.45 0.00 -1.95 -2.63 103.07 102.79 5tim h GLY 216 Ca -0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 5tim h GLY 216 CO 0.38 -0.30 -0.16 1.70 0.00 0.00 0.00 176.54 178.16 5tim h LYS 217 N 0.24 -0.43 0.00 4.80 3.64 -1.96 -3.37 116.57 119.50 5tim h LYS 217 Ca 0.51 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 5tim h LYS 217 Cb 0.96 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 5tim h LYS 217 CO -0.60 -0.13 0.00 0.27 -2.27 0.00 0.00 179.45 176.72 5tim n ASN 218 N -5.09 0.22 0.21 4.20 0.23 -1.18 -4.34 115.26 109.51 5tim n ASN 218 Ca -0.08 0.52 0.07 0.00 -0.53 0.00 0.00 54.58 54.57 5tim n ASN 218 Cb 0.26 -0.58 0.45 0.00 -2.08 0.00 0.00 39.78 37.82 5tim n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 5tim h ALA 219 N 2.85 1.13 -0.47 -2.53 0.00 -1.64 -2.93 119.26 115.67 5tim h ALA 219 Ca 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 5tim h ALA 219 Cb 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 5tim h ALA 219 CO 0.00 0.37 -0.19 -0.09 0.00 0.00 0.00 179.25 179.34 5tim h ARG 220 N 0.00 0.93 -0.03 0.00 1.12 -1.84 -1.43 114.38 113.13 5tim h ARG 220 Ca -0.00 -0.37 -0.22 0.00 -1.11 0.00 0.00 59.98 58.27 5tim h ARG 220 Cb 0.71 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.63 5tim h ARG 220 CO 0.04 1.03 -0.89 1.15 -3.11 0.00 0.00 179.97 178.19 5tim h THR 221 N 0.81 1.36 -0.17 0.20 2.02 -1.86 -2.88 112.91 112.39 5tim h THR 221 Ca 0.11 -2.29 -0.00 0.00 0.77 0.00 0.00 66.41 65.00 5tim h THR 221 Cb 0.74 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 5tim h THR 221 CO 0.06 0.69 0.10 -0.07 0.37 0.00 0.00 175.52 176.67 5tim h LEU 222 N 0.30 0.21 -1.63 2.58 3.38 -1.37 -3.03 115.31 115.75 5tim h LEU 222 Ca -0.07 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.83 5tim h LEU 222 Cb 1.52 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 5tim h LEU 222 CO 0.16 0.22 0.25 0.22 0.09 0.00 0.00 178.44 179.38 5tim h TYR 223 N 0.19 0.47 -0.57 1.13 3.20 -1.24 -2.23 116.97 117.92 5tim h TYR 223 Ca 0.06 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.95 5tim h TYR 223 Cb 0.05 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 5tim h TYR 223 CO -0.04 0.30 0.38 1.96 -1.64 0.00 0.00 178.16 179.11 5tim h GLN 224 N 0.51 0.75 -6.44 1.82 4.20 -1.38 -3.44 115.11 111.13 5tim h GLN 224 Ca 0.14 -0.05 -0.61 0.00 0.06 0.00 0.00 58.65 58.19 5tim h GLN 224 Cb -0.05 -0.17 0.11 0.00 0.30 0.00 0.00 27.48 27.67 5tim h GLN 224 CO -0.03 0.50 0.07 1.04 -0.67 0.00 0.00 178.83 179.74 5tim n GLN 225 N -4.45 1.24 -0.14 1.46 1.13 -0.84 -4.90 117.38 110.88 5tim n GLN 225 Ca 0.05 0.44 0.01 0.00 -1.94 0.00 0.00 57.00 55.56 5tim n GLN 225 Cb 0.05 -1.78 0.30 0.00 0.11 0.00 0.00 30.24 28.91 5tim n GLN 225 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 5tim h ARG 226 N 1.89 0.83 -0.48 -1.09 9.65 -1.89 -3.01 114.38 120.27 5tim h ARG 226 Ca -0.39 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 5tim h ARG 226 Cb 1.35 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 5tim h ARG 226 CO 0.60 0.57 0.00 -0.25 2.80 0.00 0.00 179.97 183.69 5tim n ASP 227 N -4.42 3.32 -4.64 -3.80 8.00 -1.26 -4.89 116.55 108.86 5tim n ASP 227 Ca 0.06 -1.97 -0.39 0.00 0.71 0.00 0.00 54.79 53.20 5tim n ASP 227 Cb 0.06 -0.32 -0.08 0.00 -0.02 0.00 0.00 41.12 40.77 5tim n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 5tim s VAL 228 N -1.37 5.18 -0.14 2.53 1.01 -1.14 -4.65 120.40 121.82 5tim s VAL 228 Ca 0.40 0.68 0.16 0.00 0.00 0.00 0.00 61.98 63.22 5tim s VAL 228 Cb 0.22 -3.73 0.28 0.00 0.00 0.00 0.00 36.38 33.16 5tim s VAL 228 CO 0.31 0.20 1.17 0.59 0.00 0.00 0.00 175.10 177.37 5tim n ASN 229 N 4.91 2.54 0.00 3.32 4.13 0.03 -4.89 115.26 125.29 5tim n ASN 229 Ca -0.08 -2.89 0.00 0.00 1.68 0.00 0.00 54.58 53.29 5tim n ASN 229 Cb 0.51 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.37 5tim n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 5tim n GLY 230 N -1.12 0.77 3.09 7.41 0.00 -1.26 -2.61 105.19 111.48 5tim n GLY 230 Ca 0.14 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 5tim n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 5tim s PHE 231 N -1.96 0.09 -0.28 1.61 0.08 -0.07 -2.01 117.98 115.44 5tim s PHE 231 Ca 0.00 -0.23 -0.01 0.00 0.12 0.00 0.00 56.93 56.81 5tim s PHE 231 Cb 0.00 -0.08 0.05 0.00 -0.57 0.00 0.00 43.02 42.42 5tim s PHE 231 CO 0.00 -0.28 -0.03 -1.17 -0.10 0.00 0.00 175.22 173.63 5tim s LEU 232 N -1.48 3.66 -0.07 -0.37 2.96 -0.80 -1.17 118.68 121.41 5tim s LEU 232 Ca -0.14 -1.20 -0.00 0.00 -0.22 0.00 0.00 54.13 52.57 5tim s LEU 232 Cb -0.07 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 5tim s LEU 232 CO 0.01 -0.22 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.11 5tim s VAL 233 N 1.25 4.11 0.00 1.68 1.01 0.11 -4.32 120.40 124.24 5tim s VAL 233 Ca -0.05 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.56 5tim s VAL 233 Cb -0.19 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.45 5tim s VAL 233 CO -0.02 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.25 5tim n GLY 234 N 2.03 0.13 0.40 4.51 0.00 -1.26 0.06 105.19 111.05 5tim n GLY 234 Ca -0.18 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.04 5tim n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 5tim h GLY 235 N 0.00 0.34 1.50 -0.02 0.00 -1.93 -0.98 103.07 101.99 5tim h GLY 235 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 5tim h GLY 235 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 176.54 176.56 5tim n ALA 236 N -2.60 2.36 0.91 3.60 0.00 -1.26 -2.68 120.51 120.84 5tim n ALA 236 Ca 0.14 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.58 5tim n ALA 236 Cb 0.65 -1.44 0.44 0.00 0.00 0.00 0.00 19.45 19.11 5tim n ALA 236 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 5tim n SER 237 N -1.25 0.32 -0.67 0.00 3.41 -0.37 -2.80 113.62 112.25 5tim n SER 237 Ca 0.14 0.26 0.10 0.00 -0.26 0.00 0.00 58.87 59.10 5tim n SER 237 Cb 0.20 -0.26 0.32 0.00 -0.26 0.00 0.00 64.21 64.21 5tim n SER 237 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 5tim n LEU 238 N -1.66 2.01 -4.38 1.04 4.77 -1.09 -4.89 117.00 112.80 5tim n LEU 238 Ca 0.06 -0.88 -0.21 0.00 -0.03 0.00 0.00 56.01 54.95 5tim n LEU 238 Cb 0.36 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 5tim n LEU 238 CO 0.31 0.44 -0.47 -0.54 -1.33 0.00 0.00 177.39 175.80 5tim s LYS 239 N -1.69 1.43 0.57 3.23 1.02 -1.12 -5.03 119.74 118.15 5tim s LYS 239 Ca 0.32 -1.60 0.27 0.00 0.02 0.00 0.00 55.97 54.98 5tim s LYS 239 Cb 0.18 -1.39 1.67 0.00 -0.52 0.00 0.00 37.83 37.76 5tim s LYS 239 CO 0.26 0.26 2.19 -1.35 -0.92 0.00 0.00 175.35 175.79 5tim h PRO 240 N 2.66 0.00 -0.54 -1.68 0.11 -1.91 -1.02 132.00 129.62 5tim h PRO 240 Ca -0.40 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.87 5tim h PRO 240 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 5tim h PRO 240 CO 0.58 0.00 0.52 1.05 -0.21 0.00 0.00 178.00 179.94 5tim h GLU 241 N 0.00 0.00 -0.59 1.05 4.11 -1.96 -1.20 114.58 115.99 5tim h GLU 241 Ca 0.03 0.00 0.17 0.00 0.07 0.00 0.00 59.36 59.63 5tim h GLU 241 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 5tim h GLU 241 CO -0.00 0.00 0.46 0.35 0.07 0.00 0.00 179.01 179.89 5tim h PHE 242 N 0.00 0.00 -0.54 2.06 3.57 -1.14 0.32 116.94 121.20 5tim h PHE 242 Ca 0.26 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 5tim h PHE 242 Cb 1.29 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 5tim h PHE 242 CO 0.00 0.00 0.22 0.28 -2.23 0.00 0.00 178.31 176.58 5tim h VAL 243 N 0.00 1.22 -0.85 1.41 2.07 -1.44 -0.89 116.25 117.77 5tim h VAL 243 Ca 0.28 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 5tim h VAL 243 Cb 1.20 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 5tim h VAL 243 CO -0.00 0.26 0.50 0.44 0.02 0.00 0.00 177.57 178.79 5tim h ASP 244 N 0.73 1.02 -0.08 0.57 3.32 -0.56 -1.94 116.42 119.49 5tim h ASP 244 Ca 0.18 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 5tim h ASP 244 Cb 0.19 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 5tim h ASP 244 CO -0.02 0.79 0.05 0.40 -1.72 0.00 0.00 179.24 178.75 5tim h ILE 245 N 1.16 1.05 -0.81 0.35 2.04 -0.63 -1.72 117.51 118.96 5tim h ILE 245 Ca 0.30 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 66.11 5tim h ILE 245 Cb -0.03 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 5tim h ILE 245 CO -0.06 0.04 0.49 0.40 0.00 0.00 0.00 178.15 179.02 5tim h ILE 246 N 0.07 1.01 -0.44 -0.67 2.04 -1.01 -2.19 117.51 116.32 5tim h ILE 246 Ca 0.03 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 5tim h ILE 246 Cb 0.03 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 5tim h ILE 246 CO -0.01 0.16 0.02 0.11 0.00 0.00 0.00 178.15 178.43 5tim h LYS 247 N 0.88 0.71 0.00 2.37 1.57 -1.06 -2.50 116.57 118.53 5tim h LYS 247 Ca 0.36 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 5tim h LYS 247 Cb 0.20 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.41 5tim h LYS 247 CO -0.18 0.71 0.01 0.00 -0.57 0.00 0.00 179.45 179.42 5tim n ALA 248 N -2.47 1.26 0.25 3.86 0.00 -0.67 -1.68 120.51 121.06 5tim n ALA 248 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.58 5tim n ALA 248 Cb 0.27 -0.91 0.27 0.00 0.00 0.00 0.00 19.45 19.08 5tim n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 5tim n THR 249 N -1.07 0.63 0.00 0.00 -2.24 -0.94 -4.75 114.28 105.91 5tim n THR 249 Ca 0.00 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 5tim n THR 249 Cb 0.01 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 5tim n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50