#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3tim s LYS 3 N 0.00 1.38 0.99 -1.46 1.02 -1.26 -5.14 119.74 115.27 3tim s LYS 3 Ca 0.00 -1.46 -0.17 0.00 0.02 0.00 0.00 55.97 54.36 3tim s LYS 3 Cb 0.00 -1.55 0.22 0.00 -0.52 0.00 0.00 37.83 35.98 3tim s LYS 3 CO 0.00 0.32 1.34 -2.14 -0.92 0.00 0.00 175.35 173.95 3tim s PRO 4 N -2.75 0.41 0.05 -1.68 0.02 -1.26 -4.95 135.00 124.85 3tim s PRO 4 Ca 0.18 -0.47 -0.33 0.00 0.02 0.00 0.00 61.00 60.40 3tim s PRO 4 Cb -0.07 -1.83 -0.12 0.00 0.02 0.00 0.00 34.50 32.51 3tim s PRO 4 CO 0.08 -2.56 1.80 0.94 -0.33 0.00 0.00 177.00 176.93 3tim n GLN 5 N -3.86 2.44 -1.80 5.54 7.27 -1.26 -4.95 117.38 120.77 3tim n GLN 5 Ca 0.16 0.89 -0.32 0.00 0.07 0.00 0.00 57.00 57.80 3tim n GLN 5 Cb 0.59 -2.74 0.03 0.00 2.41 0.00 0.00 30.24 30.53 3tim n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3tim s PRO 6 N 2.89 3.05 -0.01 3.69 0.04 -1.26 -4.91 135.00 138.49 3tim s PRO 6 Ca 0.85 1.15 0.07 0.00 0.04 0.00 0.00 61.00 63.11 3tim s PRO 6 Cb -0.59 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 3tim s PRO 6 CO 0.43 -1.02 -0.24 0.42 0.04 0.00 0.00 177.00 176.63 3tim s ILE 7 N -2.66 2.28 -0.32 0.56 -1.09 -1.11 -1.65 121.20 117.20 3tim s ILE 7 Ca 0.62 -1.09 0.01 0.00 -2.23 0.00 0.00 60.65 57.96 3tim s ILE 7 Cb -0.16 -1.83 0.08 0.00 -1.58 0.00 0.00 42.46 38.97 3tim s ILE 7 CO 0.45 0.54 0.03 0.00 -1.23 0.00 0.00 174.94 174.73 3tim s ALA 8 N -0.68 2.85 -0.23 9.38 0.00 0.14 -1.94 121.76 131.28 3tim s ALA 8 Ca 0.11 -2.16 -0.07 0.00 0.00 0.00 0.00 51.96 49.84 3tim s ALA 8 Cb -0.10 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 3tim s ALA 8 CO 0.00 -1.49 0.05 0.00 0.00 0.00 0.00 175.76 174.32 3tim s ALA 9 N 1.08 3.15 -0.36 0.00 0.00 0.11 -1.18 121.76 124.56 3tim s ALA 9 Ca 0.02 -1.07 -0.12 0.00 0.00 0.00 0.00 51.96 50.79 3tim s ALA 9 Cb -0.20 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 20.94 3tim s ALA 9 CO -0.05 -0.35 0.22 0.00 0.00 0.00 0.00 175.76 175.58 3tim s ALA 10 N 1.37 3.37 -0.66 0.00 0.00 -0.45 0.15 121.76 125.54 3tim s ALA 10 Ca 0.05 -1.55 -0.08 0.00 0.00 0.00 0.00 51.96 50.37 3tim s ALA 10 Cb -0.15 -2.62 0.17 0.00 0.00 0.00 0.00 23.12 20.53 3tim s ALA 10 CO 0.03 -1.17 0.53 1.21 0.00 0.00 0.00 175.76 176.35 3tim s ASN 11 N 1.64 5.88 0.37 0.00 2.47 0.15 -0.67 114.94 124.78 3tim s ASN 11 Ca 0.04 -2.56 0.27 0.00 0.42 0.00 0.00 52.86 51.03 3tim s ASN 11 Cb -0.18 -2.02 1.32 0.00 -1.45 0.00 0.00 41.25 38.92 3tim s ASN 11 CO 0.08 -0.52 1.81 -0.50 -3.72 0.00 0.00 177.10 174.24 3tim h TRP 12 N 7.66 0.00 0.00 0.43 6.55 -1.71 -3.41 115.95 125.46 3tim h TRP 12 Ca -0.03 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.81 3tim h TRP 12 Cb 1.01 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.31 3tim h TRP 12 CO 0.80 0.00 0.00 1.63 -1.05 0.00 0.00 178.44 179.82 3tim n LYS 13 N -2.44 0.00 -2.78 0.49 5.02 -1.26 -2.87 118.16 114.31 3tim n LYS 13 Ca -0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 3tim n LYS 13 Cb 0.12 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.13 3tim n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3tim s ASN 15 N -1.70 0.23 0.00 0.00 0.01 -1.14 -5.15 114.94 107.18 3tim s ASN 15 Ca 0.38 -1.16 0.00 0.00 -0.71 0.00 0.00 52.86 51.37 3tim s ASN 15 Cb 0.16 0.34 0.00 0.00 0.41 0.00 0.00 41.25 42.16 3tim s ASN 15 CO -0.07 -0.78 0.00 0.61 -1.51 0.00 0.00 177.10 175.35 3tim n GLY 16 N -0.14 3.00 3.59 0.66 0.00 -1.26 -4.77 105.19 106.27 3tim n GLY 16 Ca -0.05 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 3tim n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3tim s SER 17 N 0.00 -0.49 0.24 1.61 1.04 -1.26 -5.01 113.70 109.83 3tim s SER 17 Ca 0.00 0.73 -0.05 0.00 0.48 0.00 0.00 55.95 57.11 3tim s SER 17 Cb 0.00 0.67 0.42 0.00 0.10 0.00 0.00 66.02 67.21 3tim s SER 17 CO 0.00 -0.32 1.73 1.56 0.98 0.00 0.00 173.24 177.19 3tim h GLN 18 N 3.46 0.40 0.28 4.02 4.20 -2.00 0.16 115.11 125.63 3tim h GLN 18 Ca -0.24 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 3tim h GLN 18 Cb 1.16 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.85 3tim h GLN 18 CO 0.23 0.27 -0.13 0.37 -0.67 0.00 0.00 178.83 178.89 3tim h GLN 19 N 0.42 -0.36 -0.55 1.46 5.75 -2.00 -1.65 115.11 118.19 3tim h GLN 19 Ca 0.39 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.94 3tim h GLN 19 Cb 0.58 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.18 3tim h GLN 19 CO -0.40 -0.04 0.34 0.66 -2.65 0.00 0.00 178.83 176.74 3tim h SER 20 N -0.70 0.56 0.66 -0.69 4.64 -1.92 -2.57 113.55 113.53 3tim h SER 20 Ca -0.04 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 3tim h SER 20 Cb 0.48 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3tim h SER 20 CO 0.06 0.39 -0.34 -0.07 -0.87 0.00 0.00 176.83 176.01 3tim h LEU 21 N 0.67 0.00 0.55 5.97 3.38 -0.66 -2.80 115.31 122.43 3tim h LEU 21 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3tim h LEU 21 Cb -0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.75 3tim h LEU 21 CO -0.08 0.34 -0.26 0.28 0.09 0.00 0.00 178.44 178.80 3tim h SER 22 N 0.00 -0.62 -0.98 -0.43 0.02 -0.99 -1.76 113.55 108.79 3tim h SER 22 Ca -0.00 -0.03 0.21 0.00 -0.84 0.00 0.00 61.79 61.13 3tim h SER 22 Cb 0.76 0.16 -0.19 0.00 0.14 0.00 0.00 62.40 63.27 3tim h SER 22 CO 0.04 -0.36 -0.18 -0.62 -1.14 0.00 0.00 176.83 174.57 3tim n GLU 23 N -5.36 -0.09 -0.11 3.45 1.02 -1.00 0.13 120.64 118.69 3tim n GLU 23 Ca -0.12 1.52 -0.11 0.00 -0.02 0.00 0.00 57.16 58.43 3tim n GLU 23 Cb 0.32 -2.30 0.03 0.00 -0.02 0.00 0.00 31.44 29.47 3tim n GLU 23 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3tim h LEU 24 N 0.00 0.91 -0.92 -4.62 5.85 -1.54 -2.29 115.31 112.71 3tim h LEU 24 Ca 0.50 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 3tim h LEU 24 Cb 0.83 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3tim h LEU 24 CO -0.99 1.14 -0.04 0.40 -0.34 0.00 0.00 178.44 178.61 3tim h ILE 25 N 0.74 1.24 -0.26 4.05 2.04 0.20 0.30 117.51 125.82 3tim h ILE 25 Ca 0.08 -1.03 -0.11 0.00 1.00 0.00 0.00 64.86 64.80 3tim h ILE 25 Cb 0.86 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 3tim h ILE 25 CO 0.08 0.36 -0.28 0.44 0.00 0.00 0.00 178.15 178.74 3tim h ASP 26 N 0.69 0.53 -0.05 1.72 3.45 -0.71 -0.45 116.42 121.60 3tim h ASP 26 Ca 0.13 -0.19 -0.01 0.00 0.43 0.00 0.00 57.03 57.39 3tim h ASP 26 Cb 0.48 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 39.11 3tim h ASP 26 CO 0.02 0.79 -0.01 0.25 -1.57 0.00 0.00 179.24 178.73 3tim h LEU 27 N 0.45 0.08 -0.40 1.55 6.46 -1.06 -1.90 115.31 120.49 3tim h LEU 27 Ca 0.06 -0.35 0.03 0.00 -0.12 0.00 0.00 57.88 57.50 3tim h LEU 27 Cb 0.73 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.60 3tim h LEU 27 CO 0.06 0.41 0.18 -0.26 -0.62 0.00 0.00 178.44 178.21 3tim h PHE 28 N -0.25 0.34 -0.69 1.25 0.04 -0.01 -2.39 116.94 115.23 3tim h PHE 28 Ca 0.01 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.89 3tim h PHE 28 Cb 0.38 -0.09 -0.07 0.00 2.20 0.00 0.00 35.95 38.36 3tim h PHE 28 CO 0.05 0.17 0.32 -0.91 -0.60 0.00 0.00 178.31 177.34 3tim h ASN 29 N 0.38 0.40 0.23 2.17 2.35 -1.10 -1.80 115.58 118.21 3tim h ASN 29 Ca 0.17 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3tim h ASN 29 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3tim h ASN 29 CO -0.13 0.23 -0.03 -1.54 -1.65 0.00 0.00 177.43 174.31 3tim n SER 30 N -4.90 0.25 -4.76 5.81 3.41 -0.72 -4.73 113.62 107.97 3tim n SER 30 Ca 0.11 -0.73 -0.40 0.00 -0.26 0.00 0.00 58.87 57.59 3tim n SER 30 Cb 0.28 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 3tim n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3tim s THR 31 N -2.26 3.15 -0.24 6.66 2.01 -0.68 -5.01 115.64 119.27 3tim s THR 31 Ca 0.38 1.14 -0.12 0.00 0.31 0.00 0.00 61.69 63.40 3tim s THR 31 Cb 0.21 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 3tim s THR 31 CO 0.41 0.26 0.24 -0.55 -0.69 0.00 0.00 174.62 174.30 3tim s SER 32 N -0.74 6.20 -0.12 3.53 0.15 -1.26 -5.06 113.70 116.40 3tim s SER 32 Ca 0.47 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.34 3tim s SER 32 Cb -0.35 -2.15 0.02 0.00 -1.71 0.00 0.00 66.02 61.83 3tim s SER 32 CO 0.46 -0.00 -0.11 -0.63 1.20 0.00 0.00 173.24 174.16 3tim s ILE 33 N 1.27 1.26 -0.38 6.45 1.01 -1.26 -5.03 121.20 124.51 3tim s ILE 33 Ca 0.11 -0.45 0.14 0.00 0.00 0.00 0.00 60.65 60.45 3tim s ILE 33 Cb -0.14 -1.21 -0.18 0.00 0.01 0.00 0.00 42.46 40.93 3tim s ILE 33 CO 0.06 0.40 0.47 0.59 0.00 0.00 0.00 174.94 176.47 3tim n ASN 34 N 4.69 1.11 -4.96 3.58 3.02 -1.26 -4.99 115.26 116.45 3tim n ASN 34 Ca -0.16 -0.48 -0.22 0.00 -0.03 0.00 0.00 54.58 53.70 3tim n ASN 34 Cb 0.50 1.28 -0.02 0.00 -0.61 0.00 0.00 39.78 40.93 3tim n ASN 34 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 3tim s HIS 35 N -2.59 3.46 -0.43 3.10 -3.43 -1.26 -5.04 115.29 109.10 3tim s HIS 35 Ca 0.01 0.06 -0.28 0.00 -0.80 0.00 0.00 55.06 54.05 3tim s HIS 35 Cb 0.10 -1.64 -0.02 0.00 -1.43 0.00 0.00 32.58 29.59 3tim s HIS 35 CO 0.58 0.39 1.78 0.34 -2.00 0.00 0.00 174.74 175.83 3tim s ASP 36 N -3.90 5.73 -0.08 7.38 2.15 -1.26 -4.94 116.67 121.75 3tim s ASP 36 Ca 0.35 0.93 -0.11 0.00 0.43 0.00 0.00 52.55 54.16 3tim s ASP 36 Cb -0.09 -2.53 0.03 0.00 -0.30 0.00 0.00 42.92 40.02 3tim s ASP 36 CO 0.30 -1.90 0.29 0.54 -0.17 0.00 0.00 175.17 174.23 3tim s VAL 37 N 7.46 0.02 -0.27 1.11 0.11 -1.26 -4.30 120.40 123.27 3tim s VAL 37 Ca 0.74 -0.14 -0.08 0.00 -2.93 0.00 0.00 61.98 59.56 3tim s VAL 37 Cb -0.18 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 3tim s VAL 37 CO 0.29 -0.08 0.09 -1.58 -3.33 0.00 0.00 175.10 170.50 3tim s GLN 38 N -0.25 3.58 -0.06 1.54 2.00 -0.66 -4.89 119.66 120.93 3tim s GLN 38 Ca -0.04 -0.54 -0.01 0.00 -2.00 0.00 0.00 55.36 52.77 3tim s GLN 38 Cb -0.03 -3.40 -0.04 0.00 0.80 0.00 0.00 33.01 30.35 3tim s GLN 38 CO 0.01 -0.25 0.03 0.00 -0.50 0.00 0.00 175.29 174.59 3tim s VAL 40 N -1.00 0.07 -0.29 0.00 1.01 -0.32 -1.27 120.40 118.60 3tim s VAL 40 Ca 0.17 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.22 3tim s VAL 40 Cb -0.12 -0.14 0.06 0.00 0.00 0.00 0.00 36.38 36.19 3tim s VAL 40 CO 0.06 0.08 -0.04 -0.69 0.00 0.00 0.00 175.10 174.51 3tim s VAL 41 N 0.58 2.60 -0.50 2.92 1.01 -0.50 -1.34 120.40 125.17 3tim s VAL 41 Ca -0.05 -1.56 -0.17 0.00 0.00 0.00 0.00 61.98 60.20 3tim s VAL 41 Cb -0.08 -2.54 0.07 0.00 0.00 0.00 0.00 36.38 33.84 3tim s VAL 41 CO -0.01 -0.11 0.50 0.00 0.00 0.00 0.00 175.10 175.47 3tim s ALA 42 N 1.16 3.50 0.30 5.51 0.00 0.16 -0.78 121.76 131.62 3tim s ALA 42 Ca -0.06 -2.04 0.08 0.00 0.00 0.00 0.00 51.96 49.95 3tim s ALA 42 Cb -0.20 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 3tim s ALA 42 CO -0.03 -1.88 0.14 -1.54 0.00 0.00 0.00 175.76 172.44 3tim s SER 43 N 2.78 4.92 0.73 0.00 1.04 -1.17 -2.23 113.70 119.77 3tim s SER 43 Ca 0.08 -0.58 -0.16 0.00 0.48 0.00 0.00 55.95 55.77 3tim s SER 43 Cb -0.23 -0.95 -0.00 0.00 0.10 0.00 0.00 66.02 64.94 3tim s SER 43 CO 0.08 -0.17 0.83 0.35 0.98 0.00 0.00 173.24 175.31 3tim n THR 44 N -1.12 2.39 -0.22 2.02 -2.24 -1.26 -4.21 114.28 109.64 3tim n THR 44 Ca -0.05 -0.37 0.07 0.00 -2.27 0.00 0.00 64.05 61.43 3tim n THR 44 Cb 0.60 -0.98 0.33 0.00 -2.10 0.00 0.00 70.33 68.18 3tim n THR 44 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3tim h PHE 45 N -0.34 0.83 0.00 4.78 0.04 -1.96 -2.46 116.94 117.84 3tim h PHE 45 Ca -0.47 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.30 3tim h PHE 45 Cb 1.34 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 39.21 3tim h PHE 45 CO 0.38 0.42 -0.13 0.28 -0.60 0.00 0.00 178.31 178.66 3tim h VAL 46 N 0.80 0.75 -0.54 -0.55 2.07 -2.03 -2.06 116.25 114.70 3tim h VAL 46 Ca 0.35 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3tim h VAL 46 Cb 0.32 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3tim h VAL 46 CO -0.13 0.13 0.00 1.41 0.02 0.00 0.00 177.57 179.00 3tim n HIS 47 N -3.88 0.71 -0.15 1.57 8.25 -0.93 -4.54 115.22 116.25 3tim n HIS 47 Ca -0.02 -0.37 -0.08 0.00 -0.26 0.00 0.00 57.72 56.98 3tim n HIS 47 Cb 0.23 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 3tim n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3tim h LEU 48 N 4.22 0.58 -0.54 2.41 3.38 -1.35 -3.07 115.31 120.95 3tim h LEU 48 Ca 0.00 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 57.94 3tim h LEU 48 Cb 0.97 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.46 3tim h LEU 48 CO 0.00 0.56 -0.23 0.00 0.09 0.00 0.00 178.44 178.86 3tim h ALA 49 N 1.05 0.15 0.85 1.53 0.00 -1.80 0.55 119.26 121.59 3tim h ALA 49 Ca 0.15 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 3tim h ALA 49 Cb 0.14 0.59 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3tim h ALA 49 CO -0.02 -0.56 -0.41 1.98 0.00 0.00 0.00 179.25 180.24 3tim h MET 50 N -0.11 -1.10 -0.22 0.00 1.85 -1.87 -2.15 114.93 111.32 3tim h MET 50 Ca 0.24 0.08 0.06 0.00 -0.61 0.00 0.00 59.70 59.47 3tim h MET 50 Cb 0.49 0.25 -0.01 0.00 0.43 0.00 0.00 31.60 32.76 3tim h MET 50 CO -0.60 -0.74 0.16 1.15 -0.40 0.00 0.00 176.91 176.48 3tim h THR 51 N -1.14 0.90 0.14 -0.77 2.02 -1.43 -2.30 112.91 110.33 3tim h THR 51 Ca -0.12 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 3tim h THR 51 Cb 0.88 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3tim h THR 51 CO 0.19 0.01 -0.07 0.50 0.37 0.00 0.00 175.52 176.52 3tim h LYS 52 N 0.03 -0.19 -1.22 6.66 1.63 0.25 -3.10 116.57 120.64 3tim h LYS 52 Ca 0.11 0.01 -0.68 0.00 -0.85 0.00 0.00 60.65 59.23 3tim h LYS 52 Cb 0.38 0.04 -0.28 0.00 -0.60 0.00 0.00 32.23 31.77 3tim h LYS 52 CO -0.00 0.13 0.90 0.39 -3.45 0.00 0.00 179.45 177.41 3tim n GLU 53 N -5.03 2.67 0.01 1.90 4.71 -0.82 -4.32 120.64 119.76 3tim n GLU 53 Ca -0.09 -3.27 0.00 0.00 -0.01 0.00 0.00 57.16 53.79 3tim n GLU 53 Cb 0.21 -2.26 0.00 0.00 -1.01 0.00 0.00 31.44 28.38 3tim n GLU 53 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3tim n ARG 54 N -0.79 0.00 -1.56 3.49 5.12 -0.97 -4.99 116.66 116.96 3tim n ARG 54 Ca 0.60 0.00 -0.49 0.00 -1.93 0.00 0.00 57.85 56.03 3tim n ARG 54 Cb 0.57 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.82 3tim n ARG 54 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3tim n LEU 55 N -2.57 2.75 -0.09 0.55 7.94 -1.17 -4.84 117.00 119.57 3tim n LEU 55 Ca 0.00 0.55 -0.10 0.00 -1.11 0.00 0.00 56.01 55.35 3tim n LEU 55 Cb 0.00 -1.35 -0.16 0.00 0.53 0.00 0.00 43.42 42.44 3tim n LEU 55 CO 0.00 -0.52 -1.06 -0.24 -1.11 0.00 0.00 177.39 174.46 3tim n SER 56 N 9.18 0.19 -4.69 1.96 2.88 -1.26 -5.01 113.62 116.88 3tim n SER 56 Ca 0.33 0.07 -0.42 0.00 -1.33 0.00 0.00 58.87 57.52 3tim n SER 56 Cb 0.29 0.79 -0.03 0.00 -0.75 0.00 0.00 64.21 64.52 3tim n SER 56 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 3tim s HIS 57 N -2.51 2.08 -0.67 0.66 5.04 -1.26 -4.93 115.29 113.70 3tim s HIS 57 Ca -0.10 -0.03 0.24 0.00 -1.54 0.00 0.00 55.06 53.64 3tim s HIS 57 Cb 0.06 -4.16 0.91 0.00 0.04 0.00 0.00 32.58 29.44 3tim s HIS 57 CO 0.82 -4.81 1.73 -0.35 -2.34 0.00 0.00 174.74 169.80 3tim n PRO 58 N 5.91 0.18 -0.01 2.88 -0.04 -1.26 -2.21 135.00 140.45 3tim n PRO 58 Ca 0.18 0.29 0.14 0.00 -0.04 0.00 0.00 63.50 64.07 3tim n PRO 58 Cb 0.39 -1.78 0.49 0.00 -0.04 0.00 0.00 33.50 32.55 3tim n PRO 58 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3tim n LYS 59 N -2.11 1.72 -5.09 0.54 4.01 -1.26 -4.90 118.16 111.06 3tim n LYS 59 Ca 0.04 -1.04 -0.32 0.00 -0.51 0.00 0.00 58.31 56.48 3tim n LYS 59 Cb 0.31 -1.47 -0.16 0.00 -0.51 0.00 0.00 35.03 33.19 3tim n LYS 59 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 3tim s PHE 60 N -1.98 2.62 0.22 2.13 0.40 -0.94 -1.00 117.98 119.43 3tim s PHE 60 Ca 0.37 -0.86 0.11 0.00 -0.60 0.00 0.00 56.93 55.96 3tim s PHE 60 Cb 0.21 -1.73 -0.05 0.00 0.51 0.00 0.00 43.02 41.96 3tim s PHE 60 CO 0.33 -0.31 -0.20 0.14 0.70 0.00 0.00 175.22 175.88 3tim s VAL 61 N 0.23 2.54 0.00 -0.44 -7.23 -0.39 -4.88 120.40 110.23 3tim s VAL 61 Ca -0.13 -2.10 -0.15 0.00 -1.81 0.00 0.00 61.98 57.78 3tim s VAL 61 Cb -0.17 -2.27 -0.06 0.00 0.56 0.00 0.00 36.38 34.45 3tim s VAL 61 CO 0.07 -0.22 0.41 0.27 -0.31 0.00 0.00 175.10 175.32 3tim s ILE 62 N -1.97 5.02 0.31 -0.62 -4.36 -1.26 -1.42 121.20 116.90 3tim s ILE 62 Ca 0.25 0.85 0.10 0.00 -0.26 0.00 0.00 60.65 61.59 3tim s ILE 62 Cb -0.07 -3.72 -0.06 0.00 1.25 0.00 0.00 42.46 39.86 3tim s ILE 62 CO 0.13 0.58 -0.12 0.00 0.24 0.00 0.00 174.94 175.76 3tim s ALA 63 N -1.05 2.78 -0.07 2.27 0.00 0.04 -3.98 121.76 121.75 3tim s ALA 63 Ca 0.24 -1.99 -0.00 0.00 0.00 0.00 0.00 51.96 50.21 3tim s ALA 63 Cb -0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3tim s ALA 63 CO 0.13 0.12 -0.03 0.00 0.00 0.00 0.00 175.76 175.99 3tim s ALA 64 N -2.65 3.16 -2.00 0.00 0.00 -0.94 -3.02 121.76 116.32 3tim s ALA 64 Ca 0.31 -0.85 0.21 0.00 0.00 0.00 0.00 51.96 51.62 3tim s ALA 64 Cb 0.00 -1.37 1.24 0.00 0.00 0.00 0.00 23.12 23.00 3tim s ALA 64 CO 0.15 0.59 1.76 1.04 0.00 0.00 0.00 175.76 179.30 3tim n GLN 65 N 2.10 0.94 0.00 0.00 6.02 -1.26 -0.45 117.38 124.74 3tim n GLN 65 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 3tim n GLN 65 Cb 0.53 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.45 3tim n GLN 65 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3tim n ASN 66 N -0.85 0.00 0.00 1.08 5.15 -1.17 -4.61 115.26 114.86 3tim n ASN 66 Ca 0.16 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 3tim n ASN 66 Cb 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 3tim n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3tim n ALA 67 N -0.40 0.00 -2.42 5.20 0.00 -1.26 -4.90 120.51 116.74 3tim n ALA 67 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3tim n ALA 67 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3tim n ALA 67 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3tim s ILE 68 N -2.00 1.84 -0.35 0.00 -4.36 -0.82 -4.97 121.20 110.54 3tim s ILE 68 Ca 0.00 -2.20 0.23 0.00 -0.26 0.00 0.00 60.65 58.42 3tim s ILE 68 Cb 0.00 -2.32 0.18 0.00 1.25 0.00 0.00 42.46 41.57 3tim s ILE 68 CO 0.00 -0.40 1.34 0.00 0.24 0.00 0.00 174.94 176.12 3tim h ALA 69 N 2.34 0.76 -3.86 2.27 0.00 -1.93 -1.27 119.26 117.59 3tim h ALA 69 Ca -0.40 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.07 3tim h ALA 69 Cb 1.23 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.72 3tim h ALA 69 CO 0.65 0.00 -0.79 0.21 0.00 0.00 0.00 179.25 179.32 3tim s LYS 70 N -3.28 1.04 0.66 0.00 2.47 -1.26 -4.61 119.74 114.77 3tim s LYS 70 Ca 0.04 -0.35 -0.14 0.00 -1.56 0.00 0.00 55.97 53.96 3tim s LYS 70 Cb 0.07 -0.97 -0.00 0.00 -1.46 0.00 0.00 37.83 35.48 3tim s LYS 70 CO 0.73 0.14 1.08 -1.12 0.16 0.00 0.00 175.35 176.34 3tim s SER 71 N 0.13 5.29 0.00 1.43 0.01 -1.26 -4.78 113.70 114.51 3tim s SER 71 Ca -0.02 1.82 0.00 0.00 1.31 0.00 0.00 55.95 59.06 3tim s SER 71 Cb -0.08 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.62 3tim s SER 71 CO 0.01 -1.50 0.00 0.61 0.41 0.00 0.00 173.24 172.76 3tim n GLY 72 N -1.11 0.19 3.50 3.44 0.00 -1.26 -5.04 105.19 104.92 3tim n GLY 72 Ca 0.09 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 3tim n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3tim s ALA 73 N -1.00 3.10 -0.48 4.61 0.00 -1.26 -4.78 121.76 121.95 3tim s ALA 73 Ca 0.00 -2.57 0.06 0.00 0.00 0.00 0.00 51.96 49.45 3tim s ALA 73 Cb 0.00 -4.29 0.21 0.00 0.00 0.00 0.00 23.12 19.04 3tim s ALA 73 CO 0.00 -3.27 0.68 1.19 0.00 0.00 0.00 175.76 174.36 3tim n PHE 74 N 7.62 -2.75 -1.59 0.00 3.01 -1.26 -5.13 117.46 117.36 3tim n PHE 74 Ca 0.29 -2.10 -0.52 0.00 1.01 0.00 0.00 57.45 56.13 3tim n PHE 74 Cb 0.50 1.06 -0.06 0.00 -0.01 0.00 0.00 39.48 40.97 3tim n PHE 74 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 3tim n THR 75 N 2.34 0.00 0.00 4.37 -1.04 -1.26 -1.18 114.28 117.52 3tim n THR 75 Ca 0.18 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 3tim n THR 75 Cb 0.56 -0.84 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 3tim n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3tim n GLY 76 N 2.56 3.27 3.98 3.41 0.00 -1.26 -5.05 105.19 112.09 3tim n GLY 76 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 3tim n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3tim s GLU 77 N -0.55 2.76 -0.04 1.61 0.41 -0.32 -5.12 118.70 117.46 3tim s GLU 77 Ca 0.00 -0.81 -0.02 0.00 -0.41 0.00 0.00 54.97 53.74 3tim s GLU 77 Cb 0.00 -2.58 0.03 0.00 -1.78 0.00 0.00 34.13 29.80 3tim s GLU 77 CO 0.00 -0.47 0.05 0.08 -0.49 0.00 0.00 175.26 174.43 3tim s VAL 78 N -2.59 -0.10 0.51 2.63 1.01 -1.26 -4.99 120.40 115.61 3tim s VAL 78 Ca 0.54 0.38 0.06 0.00 0.00 0.00 0.00 61.98 62.95 3tim s VAL 78 Cb -0.10 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 36.19 3tim s VAL 78 CO 0.37 0.16 0.71 -0.94 0.00 0.00 0.00 175.10 175.39 3tim s SER 79 N 1.92 5.32 0.25 3.32 1.04 -1.26 -1.95 113.70 122.34 3tim s SER 79 Ca 0.02 -0.41 -0.03 0.00 0.48 0.00 0.00 55.95 56.02 3tim s SER 79 Cb -0.12 -0.45 0.29 0.00 0.10 0.00 0.00 66.02 65.84 3tim s SER 79 CO -0.03 -1.08 1.72 -0.07 0.98 0.00 0.00 173.24 174.76 3tim h LEU 80 N 0.29 0.76 -1.36 2.42 -0.00 -1.48 -2.22 115.31 113.72 3tim h LEU 80 Ca -0.38 -0.21 -0.05 0.00 -0.00 0.00 0.00 57.88 57.24 3tim h LEU 80 Cb 1.28 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.73 3tim h LEU 80 CO 0.45 0.87 -0.06 -0.65 -0.00 0.00 0.00 178.44 179.05 3tim h PRO 81 N 0.71 0.34 0.25 1.13 0.11 -1.85 0.30 132.00 132.99 3tim h PRO 81 Ca 0.13 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 3tim h PRO 81 Cb 0.54 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3tim h PRO 81 CO 0.03 0.43 -0.12 0.82 -0.21 0.00 0.00 178.00 178.95 3tim h ILE 82 N 0.33 0.80 -0.48 4.15 2.04 -1.86 -0.17 117.51 122.32 3tim h ILE 82 Ca 0.07 -0.66 0.09 0.00 1.00 0.00 0.00 64.86 65.36 3tim h ILE 82 Cb 0.33 1.16 -0.08 0.00 -0.74 0.00 0.00 36.82 37.48 3tim h ILE 82 CO 0.01 0.14 -0.03 -0.07 0.00 0.00 0.00 178.15 178.20 3tim h LEU 83 N -0.69 -0.26 -0.32 1.44 3.38 -1.30 0.20 115.31 117.76 3tim h LEU 83 Ca -0.03 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3tim h LEU 83 Cb 0.48 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3tim h LEU 83 CO 0.06 -0.09 0.17 0.50 0.09 0.00 0.00 178.44 179.17 3tim h LYS 84 N 0.08 0.35 -0.61 1.13 3.64 -0.14 -1.05 116.57 119.97 3tim h LYS 84 Ca 0.24 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3tim h LYS 84 Cb 0.36 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3tim h LYS 84 CO -0.42 0.23 0.40 0.22 -2.27 0.00 0.00 179.45 177.61 3tim h ASP 85 N 0.36 0.68 0.02 4.20 3.58 -0.42 -2.99 116.42 121.85 3tim h ASP 85 Ca 0.13 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 3tim h ASP 85 Cb 0.02 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.91 3tim h ASP 85 CO -0.07 0.49 -0.02 0.15 -2.88 0.00 0.00 179.24 176.91 3tim h PHE 86 N 0.81 0.00 0.00 0.28 3.57 0.57 -3.47 116.94 118.70 3tim h PHE 86 Ca 0.23 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3tim h PHE 86 Cb -0.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.68 3tim h PHE 86 CO -0.04 0.02 0.00 0.41 -2.23 0.00 0.00 178.31 176.47 3tim n GLY 87 N -1.46 1.39 3.52 2.40 0.00 -0.52 -5.07 105.19 105.44 3tim n GLY 87 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3tim n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3tim s VAL 88 N -2.00 4.76 -0.69 1.61 1.01 -1.02 -4.97 120.40 119.09 3tim s VAL 88 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 61.98 62.08 3tim s VAL 88 Cb 0.00 -3.24 0.34 0.00 0.00 0.00 0.00 36.38 33.48 3tim s VAL 88 CO 0.00 0.31 1.28 -3.20 0.00 0.00 0.00 175.10 173.49 3tim n ASN 89 N 4.89 3.10 -4.19 3.32 2.85 -1.26 -4.12 115.26 119.85 3tim n ASN 89 Ca -0.15 -2.25 -0.20 0.00 -0.11 0.00 0.00 54.58 51.87 3tim n ASN 89 Cb 0.52 -0.30 -0.12 0.00 1.24 0.00 0.00 39.78 41.12 3tim n ASN 89 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 3tim s TRP 90 N -1.46 1.33 -0.13 1.20 0.52 -1.26 -0.62 118.94 118.53 3tim s TRP 90 Ca 0.27 -0.44 -0.20 0.00 0.02 0.00 0.00 56.10 55.75 3tim s TRP 90 Cb 0.17 -0.75 0.05 0.00 -1.15 0.00 0.00 33.47 31.79 3tim s TRP 90 CO 0.13 0.08 0.50 -1.50 0.02 0.00 0.00 176.95 176.19 3tim s ILE 91 N -1.21 0.01 -0.20 2.03 2.07 -0.83 -2.21 121.20 120.85 3tim s ILE 91 Ca -0.00 -0.10 -0.09 0.00 -1.41 0.00 0.00 60.65 59.05 3tim s ILE 91 Cb -0.10 -0.75 -0.04 0.00 0.13 0.00 0.00 42.46 41.70 3tim s ILE 91 CO 0.03 -0.05 0.10 -0.69 -1.91 0.00 0.00 174.94 172.41 3tim s VAL 92 N -0.32 5.03 0.06 4.00 1.01 0.41 -1.62 120.40 128.97 3tim s VAL 92 Ca -0.05 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.04 3tim s VAL 92 Cb -0.03 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3tim s VAL 92 CO 0.03 0.42 -0.15 -0.76 0.00 0.00 0.00 175.10 174.64 3tim s LEU 93 N 0.60 2.25 -0.30 3.92 1.43 -1.01 -3.02 118.68 122.55 3tim s LEU 93 Ca 0.05 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 3tim s LEU 93 Cb -0.12 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 45.51 3tim s LEU 93 CO 0.01 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.17 3tim n GLY 94 N 1.44 0.34 3.77 -3.19 0.00 -1.26 -0.95 105.19 105.34 3tim n GLY 94 Ca -0.20 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 3tim n GLY 94 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3tim s HIS 95 N -2.15 2.49 0.30 1.61 2.46 -1.26 -4.48 115.29 114.25 3tim s HIS 95 Ca 0.00 1.22 0.00 0.00 0.47 0.00 0.00 55.06 56.75 3tim s HIS 95 Cb 0.00 -3.98 0.70 0.00 -0.13 0.00 0.00 32.58 29.17 3tim s HIS 95 CO 0.00 -3.01 1.59 0.66 -2.47 0.00 0.00 174.74 171.51 3tim h SER 96 N 2.58 -0.41 -0.47 9.88 4.64 -1.95 0.60 113.55 128.42 3tim h SER 96 Ca -0.51 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3tim h SER 96 Cb 1.26 0.44 -0.02 0.00 -0.31 0.00 0.00 62.40 63.76 3tim h SER 96 CO 0.62 -0.31 0.31 -0.33 -0.87 0.00 0.00 176.83 176.26 3tim h GLU 97 N 0.05 0.62 -0.01 4.77 5.08 -2.00 -1.44 114.58 121.65 3tim h GLU 97 Ca 0.56 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.63 3tim h GLU 97 Cb 1.14 -0.14 0.02 0.00 0.50 0.00 0.00 28.75 30.27 3tim h GLU 97 CO -0.85 0.42 -1.00 0.00 -1.00 0.00 0.00 179.01 176.57 3tim h ARG 98 N 0.64 0.65 -0.62 2.33 3.08 -0.24 -2.09 114.38 118.13 3tim h ARG 98 Ca 0.17 -0.68 0.05 0.00 0.07 0.00 0.00 59.98 59.59 3tim h ARG 98 Cb -0.07 0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 3tim h ARG 98 CO -0.04 1.27 0.35 0.00 -1.07 0.00 0.00 179.97 180.48 3tim h ARG 99 N 0.37 0.64 -0.01 0.04 3.08 -0.83 0.35 114.38 118.02 3tim h ARG 99 Ca -0.11 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3tim h ARG 99 Cb 1.65 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.55 3tim h ARG 99 CO 0.19 0.42 -0.03 0.00 -1.07 0.00 0.00 179.97 179.48 3tim h ALA 100 N 1.32 0.02 -0.02 0.04 0.00 -1.25 -3.36 119.26 116.01 3tim h ALA 100 Ca 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3tim h ALA 100 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3tim h ALA 100 CO -0.16 -0.16 0.00 0.66 0.00 0.00 0.00 179.25 179.59 3tim n TYR 101 N -4.77 0.02 -0.70 0.00 4.01 -0.79 -4.78 117.16 110.15 3tim n TYR 101 Ca -0.09 -0.04 0.04 0.00 -0.16 0.00 0.00 57.90 57.65 3tim n TYR 101 Cb 0.31 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.39 3tim n TYR 101 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3tim n TYR 102 N 0.36 0.00 -0.15 -0.72 4.01 0.12 -4.98 117.16 115.81 3tim n TYR 102 Ca 0.04 -0.56 0.00 0.00 -0.16 0.00 0.00 57.90 57.22 3tim n TYR 102 Cb 0.18 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 3tim n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3tim n GLY 103 N -0.72 1.21 3.54 2.72 0.00 -1.19 -4.97 105.19 105.79 3tim n GLY 103 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3tim n GLY 103 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3tim n GLU 104 N -2.00 0.90 -3.41 1.61 1.02 -1.19 -4.98 120.64 112.59 3tim n GLU 104 Ca 0.00 0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 3tim n GLU 104 Cb 0.00 -3.14 -0.01 0.00 -0.02 0.00 0.00 31.44 28.27 3tim n GLU 104 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3tim s THR 105 N 11.66 4.94 0.16 2.62 -4.23 -1.26 -4.43 115.64 125.10 3tim s THR 105 Ca 1.04 -0.56 -0.16 0.00 -1.18 0.00 0.00 61.69 60.82 3tim s THR 105 Cb -0.35 -3.79 0.06 0.00 1.34 0.00 0.00 72.50 69.75 3tim s THR 105 CO 0.30 -0.48 1.70 0.78 -0.54 0.00 0.00 174.62 176.38 3tim h ASN 106 N 0.77 -0.15 -1.01 3.99 2.35 -1.97 0.51 115.58 120.07 3tim h ASN 106 Ca -0.49 0.09 0.22 0.00 -0.55 0.00 0.00 56.30 55.56 3tim h ASN 106 Cb 1.23 0.15 -0.11 0.00 0.05 0.00 0.00 38.32 39.64 3tim h ASN 106 CO 0.60 -0.04 0.61 1.05 -1.65 0.00 0.00 177.43 178.00 3tim h GLU 107 N 0.10 0.63 -0.19 0.81 4.11 -1.95 0.12 114.58 118.21 3tim h GLU 107 Ca 0.18 -0.04 -0.11 0.00 0.07 0.00 0.00 59.36 59.47 3tim h GLU 107 Cb 0.25 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3tim h GLU 107 CO -0.30 0.42 -0.29 0.82 0.07 0.00 0.00 179.01 179.72 3tim h ILE 108 N 0.65 1.34 -0.64 -1.06 2.04 -1.40 -2.93 117.51 115.50 3tim h ILE 108 Ca 0.61 -1.51 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 3tim h ILE 108 Cb 1.10 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 39.00 3tim h ILE 108 CO -0.41 0.46 0.26 0.58 0.00 0.00 0.00 178.15 179.04 3tim h VAL 109 N 0.20 1.24 -0.72 1.67 2.07 -0.00 -1.19 116.25 119.51 3tim h VAL 109 Ca 0.02 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.81 3tim h VAL 109 Cb 0.87 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3tim h VAL 109 CO 0.07 0.29 0.47 0.00 0.02 0.00 0.00 177.57 178.42 3tim h ALA 110 N 1.11 0.92 -0.39 1.67 0.00 -0.86 -0.91 119.26 120.80 3tim h ALA 110 Ca 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3tim h ALA 110 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3tim h ALA 110 CO -0.02 0.31 0.14 -0.44 0.00 0.00 0.00 179.25 179.25 3tim h ASP 111 N 0.96 0.56 -0.72 0.00 3.45 -1.32 0.19 116.42 119.53 3tim h ASP 111 Ca 0.27 -0.18 -0.01 0.00 0.43 0.00 0.00 57.03 57.54 3tim h ASP 111 Cb -0.08 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 38.51 3tim h ASP 111 CO -0.07 0.59 0.41 0.11 -1.57 0.00 0.00 179.24 178.70 3tim h LYS 112 N 0.49 1.00 0.20 3.56 1.57 -0.98 0.04 116.57 122.45 3tim h LYS 112 Ca 0.13 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3tim h LYS 112 Cb 0.22 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3tim h LYS 112 CO -0.01 0.73 -0.10 0.28 -0.57 0.00 0.00 179.45 179.79 3tim h VAL 113 N 0.99 0.88 -0.65 0.50 2.07 -0.97 -0.50 116.25 118.58 3tim h VAL 113 Ca 0.25 -0.47 0.08 0.00 0.82 0.00 0.00 66.70 67.38 3tim h VAL 113 Cb 0.02 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 3tim h VAL 113 CO -0.04 0.11 0.32 0.00 0.02 0.00 0.00 177.57 177.97 3tim h ALA 114 N 0.24 0.87 0.47 1.67 0.00 -0.41 -0.54 119.26 121.56 3tim h ALA 114 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3tim h ALA 114 Cb 0.38 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3tim h ALA 114 CO 0.05 -0.06 -0.40 0.00 0.00 0.00 0.00 179.25 178.84 3tim h ALA 115 N 1.38 -0.91 -0.05 0.00 0.00 -0.87 -2.32 119.26 116.50 3tim h ALA 115 Ca 0.31 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3tim h ALA 115 Cb 0.28 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3tim h ALA 115 CO -0.23 -1.04 -0.32 0.00 0.00 0.00 0.00 179.25 177.65 3tim h ALA 116 N -0.52 -0.73 -0.54 0.00 0.00 -0.67 -1.46 119.26 115.34 3tim h ALA 116 Ca -0.05 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.93 3tim h ALA 116 Cb 0.74 0.81 -0.10 0.00 0.00 0.00 0.00 17.79 19.24 3tim h ALA 116 CO -0.02 -0.84 -0.15 0.28 0.00 0.00 0.00 179.25 178.52 3tim h VAL 117 N -0.37 0.43 -0.02 0.00 2.07 -1.15 0.26 116.25 117.48 3tim h VAL 117 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3tim h VAL 117 Cb 0.41 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3tim h VAL 117 CO -0.24 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.36 3tim h ALA 118 N 1.49 1.71 -0.50 1.67 0.00 -1.36 0.86 119.26 123.13 3tim h ALA 118 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3tim h ALA 118 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3tim h ALA 118 CO -0.57 -0.02 0.00 -1.13 0.00 0.00 0.00 179.25 177.53 3tim n SER 119 N -4.09 2.76 0.00 0.00 3.41 0.86 -4.95 113.62 111.62 3tim n SER 119 Ca -0.03 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 3tim n SER 119 Cb 0.10 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3tim n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3tim n GLY 120 N 1.27 1.69 3.77 5.00 0.00 0.30 -5.05 105.19 112.16 3tim n GLY 120 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3tim n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3tim s PHE 121 N -2.33 2.69 0.03 1.61 0.40 -1.04 -4.98 117.98 114.37 3tim s PHE 121 Ca 0.00 1.53 -0.25 0.00 -0.60 0.00 0.00 56.93 57.61 3tim s PHE 121 Cb 0.00 -3.35 -0.05 0.00 0.51 0.00 0.00 43.02 40.13 3tim s PHE 121 CO 0.00 -1.65 0.76 -1.64 0.70 0.00 0.00 175.22 173.39 3tim s MET 122 N -3.10 4.49 0.01 0.44 -1.94 0.21 -4.38 119.30 115.02 3tim s MET 122 Ca 0.70 1.06 0.07 0.00 -1.71 0.00 0.00 55.69 55.81 3tim s MET 122 Cb -0.26 -3.37 -0.02 0.00 2.01 0.00 0.00 34.83 33.18 3tim s MET 122 CO 0.30 0.26 -0.22 0.08 -0.01 0.00 0.00 175.02 175.43 3tim s VAL 123 N 0.04 1.78 -0.82 -6.03 1.01 -0.30 -1.97 120.40 114.11 3tim s VAL 123 Ca 0.39 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.31 3tim s VAL 123 Cb -0.20 -1.50 0.21 0.00 0.00 0.00 0.00 36.38 34.88 3tim s VAL 123 CO 0.23 0.40 0.70 -0.38 0.00 0.00 0.00 175.10 176.05 3tim n ILE 124 N 2.26 2.56 -2.45 2.22 5.41 -0.64 -0.01 119.36 128.71 3tim n ILE 124 Ca -0.16 -5.06 -0.43 0.00 1.00 0.00 0.00 62.75 58.10 3tim n ILE 124 Cb 0.53 -2.28 -0.02 0.00 -0.71 0.00 0.00 39.64 37.15 3tim n ILE 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3tim s ALA 125 N -1.54 3.47 0.26 -1.39 0.00 0.33 -2.40 121.76 120.49 3tim s ALA 125 Ca 0.28 0.18 -0.15 0.00 0.00 0.00 0.00 51.96 52.27 3tim s ALA 125 Cb -0.04 -3.71 -0.08 0.00 0.00 0.00 0.00 23.12 19.28 3tim s ALA 125 CO -0.13 -1.56 0.68 0.00 0.00 0.00 0.00 175.76 174.76 3tim s ILE 127 N -1.76 0.04 0.00 0.00 -5.25 -0.94 -4.66 121.20 108.63 3tim s ILE 127 Ca 0.48 -0.33 0.00 0.00 -0.99 0.00 0.00 60.65 59.80 3tim s ILE 127 Cb -0.13 -1.03 0.00 0.00 2.95 0.00 0.00 42.46 44.25 3tim s ILE 127 CO 0.19 -0.18 0.00 0.61 -1.79 0.00 0.00 174.94 173.77 3tim n GLY 128 N 0.13 2.59 3.53 6.27 0.00 -1.26 0.20 105.19 116.66 3tim n GLY 128 Ca -0.17 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 3tim n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3tim s GLU 129 N -2.00 2.39 0.82 1.61 1.03 -1.25 -4.84 118.70 116.46 3tim s GLU 129 Ca 0.00 -0.80 -0.12 0.00 0.03 0.00 0.00 54.97 54.08 3tim s GLU 129 Cb 0.00 -2.38 0.09 0.00 -0.80 0.00 0.00 34.13 31.03 3tim s GLU 129 CO 0.00 0.59 1.16 -0.08 -1.33 0.00 0.00 175.26 175.59 3tim s THR 130 N -0.94 2.21 0.39 1.83 -1.32 -1.26 -1.61 115.64 114.93 3tim s THR 130 Ca 0.15 0.07 0.08 0.00 -1.21 0.00 0.00 61.69 60.79 3tim s THR 130 Cb -0.11 -3.00 0.30 0.00 -1.51 0.00 0.00 72.50 68.18 3tim s THR 130 CO 0.06 -0.09 1.98 0.25 -2.21 0.00 0.00 174.62 174.61 3tim h LEU 131 N -1.12 0.56 0.63 9.08 6.46 -1.80 -0.97 115.31 128.16 3tim h LEU 131 Ca -0.47 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.26 3tim h LEU 131 Cb 1.32 -0.12 0.01 0.00 -0.73 0.00 0.00 40.66 41.14 3tim h LEU 131 CO 0.65 0.36 -0.30 1.56 -0.62 0.00 0.00 178.44 180.08 3tim h GLN 132 N 0.63 -0.82 -0.99 1.25 7.50 -1.96 -1.24 115.11 119.49 3tim h GLN 132 Ca 0.28 0.06 0.08 0.00 0.50 0.00 0.00 58.65 59.57 3tim h GLN 132 Cb 0.30 0.19 -0.07 0.00 0.05 0.00 0.00 27.48 27.94 3tim h GLN 132 CO -0.09 -0.54 0.64 0.93 -1.50 0.00 0.00 178.83 178.27 3tim h GLU 133 N -0.86 1.08 0.02 1.46 5.08 -1.90 -2.41 114.58 117.04 3tim h GLU 133 Ca -0.09 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3tim h GLU 133 Cb 0.66 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3tim h GLU 133 CO 0.14 0.71 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.77 3tim h ARG 134 N 1.11 -0.02 -0.25 2.33 9.65 -0.88 0.31 114.38 126.63 3tim h ARG 134 Ca 0.44 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.29 3tim h ARG 134 Cb 0.25 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 3tim h ARG 134 CO -0.19 0.21 -0.01 0.93 2.80 0.00 0.00 179.97 183.71 3tim h GLU 135 N -0.25 0.37 -0.27 0.20 4.39 -0.93 -2.59 114.58 115.51 3tim h GLU 135 Ca -0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3tim h GLU 135 Cb 0.24 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3tim h GLU 135 CO 0.00 0.41 0.00 -1.13 -1.16 0.00 0.00 179.01 177.13 3tim n SER 136 N -4.33 1.21 -1.80 1.42 3.41 -0.93 -4.92 113.62 107.67 3tim n SER 136 Ca 0.01 -2.02 -0.13 0.00 -0.26 0.00 0.00 58.87 56.46 3tim n SER 136 Cb 0.21 -0.17 0.02 0.00 -0.26 0.00 0.00 64.21 64.01 3tim n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3tim n GLY 137 N 0.77 -0.02 1.02 5.00 0.00 -0.97 -4.96 105.19 106.02 3tim n GLY 137 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3tim n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3tim n ARG 138 N -2.60 2.13 0.13 1.61 1.74 0.09 -4.72 116.66 115.03 3tim n ARG 138 Ca -0.07 -3.05 -0.13 0.00 -0.77 0.00 0.00 57.85 53.82 3tim n ARG 138 Cb 0.57 -1.81 -0.08 0.00 -1.02 0.00 0.00 32.46 30.12 3tim n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3tim h THR 139 N 1.18 0.82 -0.50 0.55 2.02 -1.84 -0.39 112.91 114.75 3tim h THR 139 Ca 0.14 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 3tim h THR 139 Cb 1.56 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 3tim h THR 139 CO 0.32 0.11 0.22 0.00 0.37 0.00 0.00 175.52 176.55 3tim h ALA 140 N 0.07 1.46 -0.30 6.16 0.00 -1.96 0.01 119.26 124.69 3tim h ALA 140 Ca -0.03 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3tim h ALA 140 Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3tim h ALA 140 CO 0.05 0.42 -0.07 0.28 0.00 0.00 0.00 179.25 179.93 3tim h VAL 141 N 0.70 1.28 0.46 0.00 2.07 -1.87 -2.57 116.25 116.31 3tim h VAL 141 Ca 0.17 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3tim h VAL 141 Cb 0.10 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3tim h VAL 141 CO -0.02 0.36 -0.30 0.58 0.02 0.00 0.00 177.57 178.21 3tim h VAL 142 N 0.35 0.38 -0.05 2.57 2.07 -0.68 -2.14 116.25 118.76 3tim h VAL 142 Ca 0.08 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.48 3tim h VAL 142 Cb 0.56 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3tim h VAL 142 CO 0.03 0.00 -0.50 -0.37 0.02 0.00 0.00 177.57 176.75 3tim h VAL 143 N -0.73 1.35 0.00 2.57 -1.51 -1.05 -2.76 116.25 114.12 3tim h VAL 143 Ca -0.05 -1.73 -0.11 0.00 -1.23 0.00 0.00 66.70 63.59 3tim h VAL 143 Cb 0.61 1.88 -0.02 0.00 -2.13 0.00 0.00 31.29 31.63 3tim h VAL 143 CO 0.04 0.50 -0.50 -0.07 -1.23 0.00 0.00 177.57 176.31 3tim h LEU 144 N 0.10 0.00 -0.22 4.19 3.38 -1.44 -1.84 115.31 119.48 3tim h LEU 144 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3tim h LEU 144 Cb 0.92 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3tim h LEU 144 CO 0.07 0.50 -0.26 0.74 0.09 0.00 0.00 178.44 179.59 3tim h THR 145 N 0.00 1.33 -0.80 0.22 2.02 -1.22 0.22 112.91 114.69 3tim h THR 145 Ca -0.01 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.73 3tim h THR 145 Cb 1.00 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 69.13 3tim h THR 145 CO 0.07 0.44 0.50 1.56 0.37 0.00 0.00 175.52 178.46 3tim h GLN 146 N 0.24 1.07 0.00 6.66 4.20 -1.22 0.36 115.11 126.41 3tim h GLN 146 Ca 0.03 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 3tim h GLN 146 Cb 0.82 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 3tim h GLN 146 CO 0.06 0.73 -1.06 0.97 -0.67 0.00 0.00 178.83 178.86 3tim h ILE 147 N 1.09 0.27 0.11 2.54 6.09 -1.32 -3.26 117.51 123.03 3tim h ILE 147 Ca 0.29 -1.51 -0.01 0.00 -1.37 0.00 0.00 64.86 62.27 3tim h ILE 147 Cb -0.08 1.83 0.00 0.00 0.47 0.00 0.00 36.82 39.04 3tim h ILE 147 CO -0.06 0.16 -0.05 0.00 -3.07 0.00 0.00 178.15 175.13 3tim h ALA 148 N 1.72 -0.14 -1.14 0.18 0.00 0.36 -2.71 119.26 117.54 3tim h ALA 148 Ca -0.07 -0.23 0.32 0.00 0.00 0.00 0.00 54.91 54.93 3tim h ALA 148 Cb 1.27 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 3tim h ALA 148 CO 0.02 -0.33 0.76 0.00 0.00 0.00 0.00 179.25 179.71 3tim h ALA 149 N 0.14 2.60 0.05 0.00 0.00 -0.45 0.19 119.26 121.78 3tim h ALA 149 Ca -0.01 0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 3tim h ALA 149 Cb 0.51 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3tim h ALA 149 CO 0.02 -1.02 -1.03 0.82 0.00 0.00 0.00 179.25 178.04 3tim h ILE 150 N 0.22 1.54 -0.43 0.00 2.04 -1.57 -3.27 117.51 116.05 3tim h ILE 150 Ca 0.62 -2.94 -0.12 0.00 1.00 0.00 0.00 64.86 63.42 3tim h ILE 150 Cb 1.92 2.71 -0.01 0.00 -0.74 0.00 0.00 36.82 40.70 3tim h ILE 150 CO -0.22 0.85 -0.23 0.00 0.00 0.00 0.00 178.15 178.55 3tim h ALA 151 N 0.83 0.78 0.00 1.87 0.00 -0.72 -2.64 119.26 119.38 3tim h ALA 151 Ca -0.07 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3tim h ALA 151 Cb 1.73 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3tim h ALA 151 CO 0.16 0.65 0.24 0.87 0.00 0.00 0.00 179.25 181.17 3tim h LYS 152 N 0.75 0.00 0.00 0.00 1.79 -1.12 -1.98 116.57 116.02 3tim h LYS 152 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 3tim h LYS 152 Cb 0.78 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 3tim h LYS 152 CO 0.06 0.00 -1.12 1.63 -1.08 0.00 0.00 179.45 178.94 3tim n LYS 153 N -2.23 1.43 -3.77 3.15 4.76 -1.00 -5.01 118.16 115.48 3tim n LYS 153 Ca -0.01 -0.06 -0.29 0.00 -2.87 0.00 0.00 58.31 55.08 3tim n LYS 153 Cb 0.27 -1.14 -0.04 0.00 -1.84 0.00 0.00 35.03 32.29 3tim n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3tim s LEU 154 N -3.28 4.28 0.41 -0.35 1.43 -0.74 -4.95 118.68 115.47 3tim s LEU 154 Ca -0.01 0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.46 3tim s LEU 154 Cb 0.06 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 3tim s LEU 154 CO 0.39 0.04 0.64 -0.54 0.23 0.00 0.00 176.35 177.11 3tim s LYS 155 N -2.99 3.41 0.19 1.70 1.02 -1.26 -4.93 119.74 116.88 3tim s LYS 155 Ca 0.38 -0.21 -0.15 0.00 0.02 0.00 0.00 55.97 56.00 3tim s LYS 155 Cb -0.12 -2.56 0.16 0.00 -0.52 0.00 0.00 37.83 34.79 3tim s LYS 155 CO 0.28 -0.04 1.65 -0.22 -0.92 0.00 0.00 175.35 176.09 3tim h LYS 156 N 0.52 -0.00 -0.52 1.68 3.64 -1.97 -0.43 116.57 119.50 3tim h LYS 156 Ca -0.48 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 58.99 3tim h LYS 156 Cb 1.22 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 3tim h LYS 156 CO 0.61 -0.00 0.35 0.00 -2.27 0.00 0.00 179.45 178.14 3tim h ALA 157 N 1.50 2.11 -0.16 5.00 0.00 -2.02 -2.47 119.26 123.22 3tim h ALA 157 Ca 0.24 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3tim h ALA 157 Cb 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3tim h ALA 157 CO -0.52 -0.23 0.16 -0.44 0.00 0.00 0.00 179.25 178.22 3tim h ASP 158 N 0.28 0.00 0.00 0.00 3.32 -1.44 -2.90 116.42 115.68 3tim h ASP 158 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3tim h ASP 158 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3tim h ASP 158 CO -0.05 0.00 0.14 -0.50 -1.72 0.00 0.00 179.24 177.10 3tim h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.50 -2.47 115.95 120.59 3tim h TRP 159 Ca 0.08 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.03 3tim h TRP 159 Cb 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 3tim h TRP 159 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 3tim n ALA 160 N -1.82 2.07 0.51 1.49 0.00 -1.09 -2.67 120.51 118.99 3tim n ALA 160 Ca -0.02 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.42 3tim n ALA 160 Cb 0.18 -1.39 0.06 0.00 0.00 0.00 0.00 19.45 18.30 3tim n ALA 160 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3tim n LYS 161 N -1.62 0.91 -5.18 0.00 4.76 -0.93 -4.98 118.16 111.12 3tim n LYS 161 Ca 0.05 -1.32 -0.32 0.00 -2.87 0.00 0.00 58.31 53.86 3tim n LYS 161 Cb 0.29 -1.25 -0.16 0.00 -1.84 0.00 0.00 35.03 32.07 3tim n LYS 161 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3tim s VAL 162 N -1.08 2.27 0.15 -0.18 0.11 -1.09 -1.15 120.40 119.43 3tim s VAL 162 Ca 0.16 -0.99 0.09 0.00 -2.93 0.00 0.00 61.98 58.31 3tim s VAL 162 Cb 0.11 -1.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.08 3tim s VAL 162 CO 0.16 0.57 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.65 3tim s VAL 163 N -0.27 2.85 -0.11 2.04 1.01 0.99 -4.60 120.40 122.32 3tim s VAL 163 Ca -0.00 -1.67 0.02 0.00 0.00 0.00 0.00 61.98 60.32 3tim s VAL 163 Cb -0.13 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 3tim s VAL 163 CO 0.03 -0.02 -0.16 -0.63 0.00 0.00 0.00 175.10 174.32 3tim s ILE 164 N -1.44 2.82 -0.30 2.22 1.01 -0.22 -0.51 121.20 124.77 3tim s ILE 164 Ca 0.21 -0.76 -0.06 0.00 0.00 0.00 0.00 60.65 60.04 3tim s ILE 164 Cb -0.09 -2.14 0.02 0.00 0.01 0.00 0.00 42.46 40.25 3tim s ILE 164 CO 0.12 0.55 0.06 0.00 0.00 0.00 0.00 174.94 175.66 3tim s ALA 165 N 0.12 3.00 -0.44 9.38 0.00 -0.81 0.71 121.76 133.72 3tim s ALA 165 Ca -0.08 -1.54 -0.27 0.00 0.00 0.00 0.00 51.96 50.08 3tim s ALA 165 Cb -0.15 -2.11 0.03 0.00 0.00 0.00 0.00 23.12 20.89 3tim s ALA 165 CO 0.05 -1.03 0.99 -0.47 0.00 0.00 0.00 175.76 175.30 3tim s TYR 166 N 1.44 2.93 -0.24 0.00 5.04 0.12 -2.22 117.35 124.42 3tim s TYR 166 Ca 0.01 0.57 -0.16 0.00 -2.44 0.00 0.00 57.07 55.05 3tim s TYR 166 Cb -0.18 -4.02 -0.03 0.00 0.35 0.00 0.00 41.96 38.08 3tim s TYR 166 CO 0.01 -1.08 0.43 -1.21 -1.34 0.00 0.00 175.55 172.36 3tim s GLU 167 N 3.88 4.09 -1.37 4.97 2.02 0.13 -2.00 118.70 130.42 3tim s GLU 167 Ca 0.40 0.19 -0.16 0.00 0.02 0.00 0.00 54.97 55.42 3tim s GLU 167 Cb -0.10 -3.61 0.04 0.00 0.10 0.00 0.00 34.13 30.57 3tim s GLU 167 CO 0.26 -0.21 2.02 -0.35 0.02 0.00 0.00 175.26 176.99 3tim n PRO 168 N 5.08 2.92 -0.30 0.39 -0.04 -1.26 -3.89 135.00 137.91 3tim n PRO 168 Ca -0.07 -2.85 0.08 0.00 -0.04 0.00 0.00 63.50 60.62 3tim n PRO 168 Cb 0.51 -3.37 0.24 0.00 -0.04 0.00 0.00 33.50 30.83 3tim n PRO 168 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3tim h VAL 169 N 4.70 0.67 -0.77 0.52 2.07 -1.82 0.51 116.25 122.13 3tim h VAL 169 Ca 0.51 -0.20 0.22 0.00 0.82 0.00 0.00 66.70 68.06 3tim h VAL 169 Cb 0.74 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3tim h VAL 169 CO 1.70 0.10 0.61 4.11 0.02 0.00 0.00 177.57 184.12 3tim h TRP 170 N 0.57 0.00 -0.28 1.57 5.08 -1.50 -0.30 115.95 121.09 3tim h TRP 170 Ca 0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.45 3tim h TRP 170 Cb 0.74 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.90 3tim h TRP 170 CO -0.10 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.06 3tim n ALA 171 N -2.61 2.31 -3.08 0.11 0.00 0.18 -4.55 120.51 112.86 3tim n ALA 171 Ca 0.16 -0.97 -0.45 0.00 0.00 0.00 0.00 53.44 52.18 3tim n ALA 171 Cb 0.89 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 3tim n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3tim s ILE 172 N -1.05 4.89 -0.97 0.00 -1.09 -0.12 -4.49 121.20 118.37 3tim s ILE 172 Ca 0.24 -1.35 -0.00 0.00 -2.23 0.00 0.00 60.65 57.31 3tim s ILE 172 Cb 0.13 -4.58 -0.00 0.00 -1.58 0.00 0.00 42.46 36.43 3tim s ILE 172 CO 0.18 -1.24 0.81 0.61 -1.23 0.00 0.00 174.94 174.08 3tim n GLY 173 N 5.11 -0.23 0.00 6.18 0.00 -1.26 -4.91 105.19 110.08 3tim n GLY 173 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3tim n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3tim n THR 174 N -3.53 0.00 -0.50 2.61 -2.24 -1.26 -4.98 114.28 104.38 3tim n THR 174 Ca -0.23 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3tim n THR 174 Cb 0.64 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 3tim n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3tim n GLY 175 N 0.64 0.75 3.91 3.38 0.00 -1.26 -5.09 105.19 107.51 3tim n GLY 175 Ca 0.00 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 3tim n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3tim s LYS 176 N -1.04 3.06 0.21 1.61 -0.14 -1.26 -5.11 119.74 117.07 3tim s LYS 176 Ca 0.00 -1.02 0.08 0.00 -1.36 0.00 0.00 55.97 53.66 3tim s LYS 176 Cb 0.00 -2.69 -0.04 0.00 -1.68 0.00 0.00 37.83 33.42 3tim s LYS 176 CO 0.00 0.26 0.04 0.14 -0.76 0.00 0.00 175.35 175.03 3tim s VAL 177 N -2.14 3.81 -0.16 3.17 -7.23 -1.26 -4.82 120.40 111.77 3tim s VAL 177 Ca 0.38 -1.54 0.01 0.00 -1.81 0.00 0.00 61.98 59.02 3tim s VAL 177 Cb -0.08 -2.97 0.02 0.00 0.56 0.00 0.00 36.38 33.91 3tim s VAL 177 CO 0.28 -0.22 -0.16 0.00 -0.31 0.00 0.00 175.10 174.68 3tim s ALA 178 N -1.96 2.01 0.50 1.32 0.00 -1.26 -4.97 121.76 117.40 3tim s ALA 178 Ca 0.30 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 3tim s ALA 178 Cb -0.08 -1.09 -0.06 0.00 0.00 0.00 0.00 23.12 21.89 3tim s ALA 178 CO 0.20 -0.36 0.90 0.95 0.00 0.00 0.00 175.76 177.45 3tim s THR 179 N 1.40 4.72 0.33 0.00 -4.23 -1.26 -4.94 115.64 111.67 3tim s THR 179 Ca 0.04 0.77 0.01 0.00 -1.18 0.00 0.00 61.69 61.33 3tim s THR 179 Cb -0.13 -3.79 0.25 0.00 1.34 0.00 0.00 72.50 70.17 3tim s THR 179 CO -0.11 -0.79 1.98 -0.65 -0.54 0.00 0.00 174.62 174.50 3tim h PRO 180 N 0.56 0.86 -0.63 3.99 0.11 -1.99 0.28 132.00 135.19 3tim h PRO 180 Ca -0.46 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.60 3tim h PRO 180 Cb 1.19 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 3tim h PRO 180 CO 0.62 0.60 0.42 0.37 -0.21 0.00 0.00 178.00 179.81 3tim h GLN 181 N 0.88 0.77 -0.23 1.05 4.15 -1.95 -0.38 115.11 119.41 3tim h GLN 181 Ca 0.23 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.57 3tim h GLN 181 Cb -0.04 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 3tim h GLN 181 CO -0.04 0.51 0.01 1.96 -1.93 0.00 0.00 178.83 179.34 3tim h GLN 182 N 0.79 0.39 -0.17 1.69 4.20 -0.84 -2.68 115.11 118.49 3tim h GLN 182 Ca 0.25 -0.12 0.05 0.00 0.06 0.00 0.00 58.65 58.88 3tim h GLN 182 Cb 0.01 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.68 3tim h GLN 182 CO -0.06 0.57 -0.40 0.00 -0.67 0.00 0.00 178.83 178.26 3tim h ALA 183 N 0.81 -0.52 -0.58 3.87 0.00 -0.64 -2.77 119.26 119.43 3tim h ALA 183 Ca 0.07 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.08 3tim h ALA 183 Cb 0.38 0.77 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 3tim h ALA 183 CO 0.01 -0.89 -0.38 0.37 0.00 0.00 0.00 179.25 178.36 3tim h GLN 184 N -0.45 -0.19 -0.23 0.00 5.75 -0.97 0.80 115.11 119.82 3tim h GLN 184 Ca 0.09 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.66 3tim h GLN 184 Cb 0.61 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.13 3tim h GLN 184 CO -0.41 -0.13 -0.19 0.93 -2.65 0.00 0.00 178.83 176.38 3tim h GLU 185 N -0.20 -0.19 -0.81 1.69 5.08 -1.39 0.37 114.58 119.14 3tim h GLU 185 Ca 0.21 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 3tim h GLU 185 Cb 0.56 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 3tim h GLU 185 CO -0.68 -0.12 0.51 0.00 -1.00 0.00 0.00 179.01 177.71 3tim h ALA 186 N 0.91 1.08 -0.38 3.43 0.00 -0.87 -0.67 119.26 122.76 3tim h ALA 186 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3tim h ALA 186 Cb 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3tim h ALA 186 CO -0.35 0.30 0.00 0.45 0.00 0.00 0.00 179.25 179.65 3tim h HIS 187 N 0.98 0.74 -0.90 0.00 3.86 0.28 -2.92 115.15 117.18 3tim h HIS 187 Ca 0.33 -0.13 0.06 0.00 -1.16 0.00 0.00 60.37 59.48 3tim h HIS 187 Cb 0.06 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.27 3tim h HIS 187 CO -0.03 0.76 0.57 0.00 0.86 0.00 0.00 177.93 180.09 3tim h ALA 188 N 0.88 1.25 -0.13 2.45 0.00 -0.03 -0.03 119.26 123.65 3tim h ALA 188 Ca 0.11 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3tim h ALA 188 Cb 0.47 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3tim h ALA 188 CO 0.02 0.33 -0.35 -0.07 0.00 0.00 0.00 179.25 179.17 3tim h LEU 189 N 1.03 -1.10 0.39 0.00 -0.00 -0.98 0.15 115.31 114.80 3tim h LEU 189 Ca 0.39 0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 58.42 3tim h LEU 189 Cb 0.17 0.46 -0.01 0.00 -0.00 0.00 0.00 40.66 41.29 3tim h LEU 189 CO -0.17 -0.38 -0.24 0.40 -0.00 0.00 0.00 178.44 178.04 3tim h ILE 190 N -0.43 0.50 -0.69 1.22 2.04 -0.99 -0.18 117.51 118.97 3tim h ILE 190 Ca 0.09 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.10 3tim h ILE 190 Cb 0.58 0.50 -0.12 0.00 -0.74 0.00 0.00 36.82 37.04 3tim h ILE 190 CO -0.37 0.00 -0.05 0.03 0.00 0.00 0.00 178.15 177.77 3tim h ARG 191 N -0.60 0.07 0.27 2.37 2.47 -1.03 0.04 114.38 117.98 3tim h ARG 191 Ca -0.04 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3tim h ARG 191 Cb 0.49 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 3tim h ARG 191 CO 0.04 0.05 -0.24 1.03 0.56 0.00 0.00 179.97 181.41 3tim h SER 192 N 0.07 -0.63 -0.76 7.04 0.87 -0.15 -1.59 113.55 118.39 3tim h SER 192 Ca 0.36 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 61.00 3tim h SER 192 Cb 0.60 0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.73 3tim h SER 192 CO -0.63 -0.36 0.49 -0.25 -0.53 0.00 0.00 176.83 175.55 3tim h TRP 193 N -0.53 0.92 0.39 2.24 7.01 0.26 0.20 115.95 126.44 3tim h TRP 193 Ca -0.01 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 3tim h TRP 193 Cb 0.48 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 3tim h TRP 193 CO -0.15 0.53 -0.20 0.28 -2.79 0.00 0.00 178.44 176.12 3tim h VAL 194 N 0.96 0.59 -0.63 2.65 2.07 -0.94 0.11 116.25 121.06 3tim h VAL 194 Ca 0.30 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.95 3tim h VAL 194 Cb -0.01 0.59 -0.12 0.00 -1.52 0.00 0.00 31.29 30.23 3tim h VAL 194 CO -0.10 0.00 -0.21 -1.28 0.02 0.00 0.00 177.57 176.00 3tim h SER 195 N -0.54 -0.76 -0.34 0.57 0.87 -0.60 0.44 113.55 113.19 3tim h SER 195 Ca -0.05 0.20 -0.17 0.00 -1.23 0.00 0.00 61.79 60.55 3tim h SER 195 Cb 0.43 0.45 -0.00 0.00 -0.44 0.00 0.00 62.40 62.83 3tim h SER 195 CO 0.08 -0.24 -0.43 -1.28 -0.53 0.00 0.00 176.83 174.42 3tim h SER 196 N -0.05 0.97 -0.01 6.23 0.87 -0.21 -3.12 113.55 118.23 3tim h SER 196 Ca 0.29 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 3tim h SER 196 Cb 0.50 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 3tim h SER 196 CO -0.67 1.27 -0.39 1.17 -0.53 0.00 0.00 176.83 177.68 3tim n LYS 197 N -4.07 1.80 0.01 2.24 3.00 -0.01 -4.75 118.16 116.39 3tim n LYS 197 Ca -0.03 -0.64 0.00 0.00 -0.00 0.00 0.00 58.31 57.64 3tim n LYS 197 Cb 0.57 -1.24 0.00 0.00 0.00 0.00 0.00 35.03 34.35 3tim n LYS 197 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3tim n ILE 198 N -0.36 0.09 0.00 3.15 2.08 0.15 -5.03 119.36 119.44 3tim n ILE 198 Ca 0.06 0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.40 3tim n ILE 198 Cb 0.31 -1.06 0.00 0.00 -0.75 0.00 0.00 39.64 38.14 3tim n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3tim n GLY 199 N 2.36 3.95 0.21 7.39 0.00 -0.86 -4.93 105.19 113.30 3tim n GLY 199 Ca 0.00 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.53 3tim n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3tim h ALA 200 N 0.00 1.28 -0.63 4.61 0.00 -1.82 -2.41 119.26 120.28 3tim h ALA 200 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.65 3tim h ALA 200 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3tim h ALA 200 CO 0.00 0.38 0.40 0.38 0.00 0.00 0.00 179.25 180.42 3tim h ASP 201 N 0.00 0.68 -0.14 0.00 3.04 -1.93 -1.19 116.42 116.88 3tim h ASP 201 Ca -0.00 -0.01 -0.05 0.00 -3.24 0.00 0.00 57.03 53.73 3tim h ASP 201 Cb 0.63 -0.16 -0.00 0.00 -1.04 0.00 0.00 39.33 38.76 3tim h ASP 201 CO 0.04 0.48 -0.09 -0.37 -2.04 0.00 0.00 179.24 177.26 3tim h VAL 202 N 0.81 1.33 -0.85 4.15 -1.51 -1.84 -3.15 116.25 115.19 3tim h VAL 202 Ca 0.24 -1.18 0.14 0.00 -1.23 0.00 0.00 66.70 64.66 3tim h VAL 202 Cb -0.04 1.81 -0.09 0.00 -2.13 0.00 0.00 31.29 30.84 3tim h VAL 202 CO -0.07 0.35 0.46 -0.09 -1.23 0.00 0.00 177.57 176.98 3tim h ARG 203 N -0.05 0.66 0.00 5.19 2.43 -1.27 0.88 114.38 122.22 3tim h ARG 203 Ca 0.03 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3tim h ARG 203 Cb 0.59 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3tim h ARG 203 CO 0.03 0.43 -0.17 0.78 -1.51 0.00 0.00 179.97 179.53 3tim h GLY 204 N 0.68 0.00 1.05 2.80 0.00 -1.24 -2.66 103.07 103.70 3tim h GLY 204 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 3tim h GLY 204 CO -0.33 0.00 -0.78 0.83 0.00 0.00 0.00 176.54 176.26 3tim h GLU 205 N 0.00 0.00 -6.98 4.80 5.08 -0.94 -3.40 114.58 113.14 3tim h GLU 205 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.83 3tim h GLU 205 Cb 0.77 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.10 3tim h GLU 205 CO 0.02 0.00 0.57 -1.17 -1.00 0.00 0.00 179.01 177.43 3tim s LEU 206 N -4.53 4.10 -0.19 1.33 0.20 0.10 -4.87 118.68 114.82 3tim s LEU 206 Ca 0.04 2.57 -0.05 0.00 0.69 0.00 0.00 54.13 57.38 3tim s LEU 206 Cb 0.12 -4.06 -0.03 0.00 -0.43 0.00 0.00 46.19 41.80 3tim s LEU 206 CO 0.75 -0.98 -0.00 -0.13 -0.29 0.00 0.00 176.35 175.70 3tim s ARG 207 N -2.47 3.68 -0.27 1.98 3.00 -1.26 -4.82 118.95 118.79 3tim s ARG 207 Ca 0.61 -0.49 -0.01 0.00 0.00 0.00 0.00 55.73 55.83 3tim s ARG 207 Cb -0.36 -3.05 0.04 0.00 0.00 0.00 0.00 34.95 31.58 3tim s ARG 207 CO 0.44 0.11 -0.04 0.42 0.00 0.00 0.00 175.30 176.23 3tim s ILE 208 N 0.74 2.82 0.26 1.52 1.01 -1.26 -1.06 121.20 125.23 3tim s ILE 208 Ca 0.00 -1.24 -0.03 0.00 0.00 0.00 0.00 60.65 59.38 3tim s ILE 208 Cb -0.14 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 3tim s ILE 208 CO 0.02 0.05 0.49 -0.76 0.00 0.00 0.00 174.94 174.74 3tim s LEU 209 N 1.27 4.13 -0.24 2.97 1.43 0.22 -0.50 118.68 127.95 3tim s LEU 209 Ca -0.03 0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 53.55 3tim s LEU 209 Cb -0.18 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 3tim s LEU 209 CO -0.03 -0.14 0.12 -0.47 0.23 0.00 0.00 176.35 176.06 3tim s TYR 210 N -2.01 3.21 -0.35 0.29 5.04 -0.77 0.12 117.35 122.88 3tim s TYR 210 Ca 0.41 -0.01 0.15 0.00 -2.44 0.00 0.00 57.07 55.18 3tim s TYR 210 Cb -0.11 -2.24 0.75 0.00 0.35 0.00 0.00 41.96 40.71 3tim s TYR 210 CO 0.30 -0.08 1.67 0.41 -1.34 0.00 0.00 175.55 176.51 3tim n GLY 211 N 4.46 3.18 0.00 8.97 0.00 -0.85 -0.82 105.19 120.13 3tim n GLY 211 Ca -0.15 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3tim n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3tim n GLY 212 N 0.46 0.98 3.48 -0.02 0.00 -1.26 -4.55 105.19 104.29 3tim n GLY 212 Ca 0.26 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 3tim n GLY 212 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3tim s SER 213 N -1.00 6.25 -0.13 1.61 0.01 -1.26 -4.65 113.70 114.53 3tim s SER 213 Ca 0.00 -1.02 0.02 0.00 1.31 0.00 0.00 55.95 56.26 3tim s SER 213 Cb 0.00 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.77 3tim s SER 213 CO 0.00 -1.50 -0.20 -0.69 0.41 0.00 0.00 173.24 171.26 3tim s VAL 214 N 4.39 2.32 0.38 3.43 1.01 -1.26 -5.01 120.40 125.65 3tim s VAL 214 Ca 0.28 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.39 3tim s VAL 214 Cb -0.12 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3tim s VAL 214 CO 0.07 0.54 0.09 0.54 0.00 0.00 0.00 175.10 176.35 3tim s ASN 215 N 0.59 2.68 0.46 3.32 2.20 -1.26 -4.44 114.94 118.48 3tim s ASN 215 Ca -0.11 -1.56 0.23 0.00 -0.94 0.00 0.00 52.86 50.48 3tim s ASN 215 Cb -0.16 0.29 1.23 0.00 -2.00 0.00 0.00 41.25 40.60 3tim s ASN 215 CO 0.03 -0.81 1.85 1.23 -2.94 0.00 0.00 177.10 176.47 3tim h GLY 216 N 1.89 0.63 0.22 0.45 0.00 -1.94 -2.89 103.07 101.44 3tim h GLY 216 Ca -0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 3tim h GLY 216 CO 0.63 -0.02 -0.00 0.50 0.00 0.00 0.00 176.54 177.64 3tim h LYS 217 N 0.26 -0.01 -0.22 4.80 1.57 -1.97 -3.37 116.57 117.64 3tim h LYS 217 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 3tim h LYS 217 Cb 1.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 3tim h LYS 217 CO -0.14 0.75 0.00 0.27 -0.57 0.00 0.00 179.45 179.76 3tim n ASN 218 N -4.72 1.96 0.03 0.86 6.94 -1.22 -4.37 115.26 114.73 3tim n ASN 218 Ca -0.09 -1.78 -0.10 0.00 -0.02 0.00 0.00 54.58 52.59 3tim n ASN 218 Cb 0.37 -0.14 -0.04 0.00 -2.36 0.00 0.00 39.78 37.61 3tim n ASN 218 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3tim h ALA 219 N 4.09 -0.08 -0.33 -2.53 0.00 -1.68 -1.96 119.26 116.76 3tim h ALA 219 Ca 0.00 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3tim h ALA 219 Cb 0.56 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3tim h ALA 219 CO 0.00 -0.59 -0.36 0.00 0.00 0.00 0.00 179.25 178.31 3tim h ARG 220 N -0.17 0.83 -0.00 0.00 3.08 -1.79 -0.61 114.38 115.73 3tim h ARG 220 Ca 0.06 -0.45 -0.03 0.00 0.07 0.00 0.00 59.98 59.63 3tim h ARG 220 Cb 0.25 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 3tim h ARG 220 CO -0.15 1.08 -0.13 1.79 -1.07 0.00 0.00 179.97 181.50 3tim h THR 221 N 0.61 1.09 0.01 2.04 1.35 -1.81 0.38 112.91 116.59 3tim h THR 221 Ca 0.05 -0.45 -0.03 0.00 -0.55 0.00 0.00 66.41 65.43 3tim h THR 221 Cb 0.94 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3tim h THR 221 CO 0.09 0.13 -0.14 -0.07 -0.25 0.00 0.00 175.52 175.27 3tim h LEU 222 N 0.00 0.10 -2.52 3.87 3.38 -1.03 -3.31 115.31 115.80 3tim h LEU 222 Ca -0.00 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.09 3tim h LEU 222 Cb 0.23 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3tim h LEU 222 CO 0.02 0.97 0.01 0.22 0.09 0.00 0.00 178.44 179.74 3tim h TYR 223 N -0.75 0.00 0.00 1.13 5.03 -0.83 -1.30 116.97 120.24 3tim h TYR 223 Ca -0.02 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.29 3tim h TYR 223 Cb 1.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.28 3tim h TYR 223 CO 0.22 0.00 0.00 0.94 -1.32 0.00 0.00 178.16 178.00 3tim n GLN 224 N -3.76 0.15 -3.55 1.82 7.27 0.10 -4.73 117.38 114.68 3tim n GLN 224 Ca -0.03 0.19 -0.37 0.00 0.07 0.00 0.00 57.00 56.86 3tim n GLN 224 Cb 0.09 -1.50 -0.07 0.00 2.41 0.00 0.00 30.24 31.17 3tim n GLN 224 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 3tim s GLN 225 N -2.59 4.14 0.08 3.69 -1.52 -0.49 -5.02 119.66 117.93 3tim s GLN 225 Ca 0.10 0.14 -0.15 0.00 -1.95 0.00 0.00 55.36 53.50 3tim s GLN 225 Cb 0.08 -3.38 -0.03 0.00 -0.22 0.00 0.00 33.01 29.46 3tim s GLN 225 CO 0.17 0.35 0.75 -2.13 -0.25 0.00 0.00 175.29 174.18 3tim n ARG 226 N 3.19 -0.21 -0.40 2.91 3.00 -1.26 -1.53 116.66 122.35 3tim n ARG 226 Ca -0.13 0.73 0.09 0.00 -0.00 0.00 0.00 57.85 58.54 3tim n ARG 226 Cb 0.52 -1.08 0.28 0.00 0.00 0.00 0.00 32.46 32.18 3tim n ARG 226 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3tim n ASP 227 N -4.59 3.57 -4.40 6.15 10.43 -1.26 -4.85 116.55 121.59 3tim n ASP 227 Ca 0.01 -2.17 -0.44 0.00 2.57 0.00 0.00 54.79 54.75 3tim n ASP 227 Cb 0.13 -0.46 -0.04 0.00 1.84 0.00 0.00 41.12 42.58 3tim n ASP 227 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3tim s VAL 228 N -1.49 4.70 -0.43 2.53 1.01 -0.58 -4.54 120.40 121.60 3tim s VAL 228 Ca 0.41 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.64 3tim s VAL 228 Cb 0.24 -4.52 0.58 0.00 0.00 0.00 0.00 36.38 32.68 3tim s VAL 228 CO 0.24 -1.18 1.77 0.59 0.00 0.00 0.00 175.10 176.52 3tim n ASN 229 N 6.66 3.96 0.00 3.32 4.13 0.34 -4.85 115.26 128.82 3tim n ASN 229 Ca -0.08 -3.70 0.00 0.00 1.68 0.00 0.00 54.58 52.48 3tim n ASN 229 Cb 0.43 -0.78 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 3tim n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3tim n GLY 230 N -1.09 0.86 3.27 7.41 0.00 -1.26 -2.76 105.19 111.62 3tim n GLY 230 Ca 0.52 -1.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 3tim n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3tim s PHE 231 N -2.08 -0.13 -0.30 1.61 0.08 -0.82 -1.85 117.98 114.50 3tim s PHE 231 Ca 0.00 -0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.07 3tim s PHE 231 Cb 0.00 0.12 0.08 0.00 -0.57 0.00 0.00 43.02 42.65 3tim s PHE 231 CO 0.00 -0.53 -0.02 -1.17 -0.10 0.00 0.00 175.22 173.41 3tim s LEU 232 N -2.11 3.93 -0.16 -0.37 2.96 -0.00 0.06 118.68 122.99 3tim s LEU 232 Ca -0.04 -1.75 -0.13 0.00 -0.22 0.00 0.00 54.13 51.99 3tim s LEU 232 Cb -0.01 -1.52 -0.05 0.00 0.50 0.00 0.00 46.19 45.12 3tim s LEU 232 CO -0.04 -0.30 0.25 -0.69 -1.32 0.00 0.00 176.35 174.26 3tim s VAL 233 N 1.06 5.33 0.00 1.68 1.01 0.39 -4.17 120.40 125.71 3tim s VAL 233 Ca 0.02 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3tim s VAL 233 Cb -0.19 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.60 3tim s VAL 233 CO -0.08 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.06 3tim n GLY 234 N 3.28 0.97 0.25 4.51 0.00 -1.26 0.29 105.19 113.21 3tim n GLY 234 Ca -0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 3tim n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3tim n GLY 235 N 4.44 -2.59 0.00 -0.02 0.00 -1.26 -1.35 105.19 104.41 3tim n GLY 235 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.92 3tim n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3tim n ALA 236 N -3.17 1.54 0.86 4.61 0.00 -1.26 -2.09 120.51 121.00 3tim n ALA 236 Ca 0.01 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.56 3tim n ALA 236 Cb 0.15 -1.01 0.09 0.00 0.00 0.00 0.00 19.45 18.68 3tim n ALA 236 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3tim n SER 237 N -0.77 0.66 -0.10 0.00 3.41 -0.46 -3.03 113.62 113.33 3tim n SER 237 Ca 0.00 -0.41 0.13 0.00 -0.26 0.00 0.00 58.87 58.33 3tim n SER 237 Cb 0.00 0.60 0.34 0.00 -0.26 0.00 0.00 64.21 64.89 3tim n SER 237 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3tim n LEU 238 N -1.66 0.68 -4.60 1.04 4.77 -0.89 -4.89 117.00 111.45 3tim n LEU 238 Ca 0.04 -0.08 -0.25 0.00 -0.03 0.00 0.00 56.01 55.68 3tim n LEU 238 Cb 0.37 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 3tim n LEU 238 CO 0.39 0.14 -0.38 -0.54 -1.33 0.00 0.00 177.39 175.67 3tim s LYS 239 N -2.77 2.17 0.42 3.23 1.02 -1.22 -5.03 119.74 117.57 3tim s LYS 239 Ca 0.18 -1.31 0.11 0.00 0.02 0.00 0.00 55.97 54.97 3tim s LYS 239 Cb 0.18 -2.18 0.96 0.00 -0.52 0.00 0.00 37.83 36.28 3tim s LYS 239 CO 0.61 0.41 2.01 -1.35 -0.92 0.00 0.00 175.35 176.11 3tim h PRO 240 N 2.54 0.46 0.00 -1.68 0.11 -1.90 -2.21 132.00 129.31 3tim h PRO 240 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3tim h PRO 240 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3tim h PRO 240 CO 0.57 0.30 0.04 -0.85 -0.21 0.00 0.00 178.00 177.85 3tim n GLU 241 N -4.47 0.00 0.15 1.05 0.28 -1.26 -0.40 120.64 115.99 3tim n GLU 241 Ca 0.07 0.19 0.01 0.00 -0.16 0.00 0.00 57.16 57.27 3tim n GLU 241 Cb 0.26 -1.54 0.32 0.00 1.43 0.00 0.00 31.44 31.90 3tim n GLU 241 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 3tim h PHE 242 N 0.00 0.12 -0.28 -1.84 3.57 -1.31 -0.60 116.94 116.61 3tim h PHE 242 Ca 0.00 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 3tim h PHE 242 Cb 0.09 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3tim h PHE 242 CO 0.00 0.45 -0.08 0.28 -2.23 0.00 0.00 178.31 176.73 3tim h VAL 243 N 0.09 1.21 -0.03 1.41 2.07 -0.96 -0.51 116.25 119.53 3tim h VAL 243 Ca 0.01 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 3tim h VAL 243 Cb 0.68 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3tim h VAL 243 CO 0.05 0.29 -0.26 0.44 0.02 0.00 0.00 177.57 178.11 3tim h ASP 244 N 0.42 0.04 -0.56 0.57 3.45 -1.27 -2.50 116.42 116.58 3tim h ASP 244 Ca 0.09 -0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.42 3tim h ASP 244 Cb 0.41 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.14 3tim h ASP 244 CO 0.02 0.31 -0.08 0.40 -1.57 0.00 0.00 179.24 178.32 3tim h ILE 245 N 0.04 1.27 -0.12 0.35 2.04 -0.84 -1.72 117.51 118.52 3tim h ILE 245 Ca 0.01 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 3tim h ILE 245 Cb 0.49 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3tim h ILE 245 CO 0.04 0.44 0.00 0.40 0.00 0.00 0.00 178.15 179.03 3tim h ILE 246 N 0.93 1.25 -0.61 -0.67 2.04 -1.04 -3.02 117.51 116.39 3tim h ILE 246 Ca 0.15 -0.80 0.15 0.00 1.00 0.00 0.00 64.86 65.36 3tim h ILE 246 Cb 0.65 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 3tim h ILE 246 CO 0.04 0.23 0.43 0.11 0.00 0.00 0.00 178.15 178.96 3tim h LYS 247 N -0.05 0.16 0.00 2.37 1.79 -1.29 -1.58 116.57 117.97 3tim h LYS 247 Ca 0.04 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 3tim h LYS 247 Cb 0.35 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 3tim h LYS 247 CO 0.01 0.10 0.00 0.00 -1.08 0.00 0.00 179.45 178.48 3tim n ALA 248 N -2.60 2.17 -0.71 3.86 0.00 -0.66 -3.49 120.51 119.07 3tim n ALA 248 Ca 0.11 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3tim n ALA 248 Cb 0.57 -1.35 0.18 0.00 0.00 0.00 0.00 19.45 18.85 3tim n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3tim n THR 249 N -1.22 2.63 0.00 0.00 -2.24 -0.59 -4.49 114.28 108.36 3tim n THR 249 Ca 0.12 -1.43 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 3tim n THR 249 Cb 0.15 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 3tim n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50