#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1inj n LEU 6 N 0.00 0.00 -4.72 0.27 4.77 -1.26 -4.80 117.00 111.27 1inj n LEU 6 Ca 0.00 0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.90 1inj n LEU 6 Cb 0.00 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 1inj n LEU 6 CO 0.00 -0.24 1.03 -1.81 -1.33 0.00 0.00 177.39 175.05 1inj s ASP 7 N -2.67 6.87 -0.02 -1.43 1.11 -1.26 -4.78 116.67 114.49 1inj s ASP 7 Ca 0.08 2.28 0.05 0.00 0.18 0.00 0.00 52.55 55.14 1inj s ASP 7 Cb 0.06 -2.59 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 1inj s ASP 7 CO 0.14 -0.62 -0.17 -0.69 1.18 0.00 0.00 175.17 175.01 1inj s VAL 8 N 1.06 1.33 -0.10 -1.27 1.01 -0.54 -4.20 120.40 117.70 1inj s VAL 8 Ca 0.63 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1inj s VAL 8 Cb -0.36 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1inj s VAL 8 CO 0.30 0.38 -0.12 0.00 0.00 0.00 0.00 175.10 175.66 1inj s ALA 10 N -0.18 3.72 -0.07 0.00 0.00 0.16 -1.39 121.76 124.00 1inj s ALA 10 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1inj s ALA 10 Cb -0.13 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.39 1inj s ALA 10 CO 0.03 0.76 -0.13 0.08 0.00 0.00 0.00 175.76 176.50 1inj s VAL 11 N -1.38 1.21 -0.25 0.00 1.01 0.08 0.07 120.40 121.15 1inj s VAL 11 Ca 0.29 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1inj s VAL 11 Cb -0.12 -1.10 0.06 0.00 0.00 0.00 0.00 36.38 35.22 1inj s VAL 11 CO 0.22 0.37 -0.06 -0.69 0.00 0.00 0.00 175.10 174.94 1inj s VAL 12 N 0.63 1.72 -0.49 2.92 1.01 0.30 -1.75 120.40 124.74 1inj s VAL 12 Ca -0.15 -1.39 -0.29 0.00 0.00 0.00 0.00 61.98 60.15 1inj s VAL 12 Cb -0.16 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.28 1inj s VAL 12 CO 0.04 -0.12 1.27 -2.16 0.00 0.00 0.00 175.10 174.13 1inj s PRO 13 N 1.30 3.58 -0.26 2.72 0.04 -1.26 -1.53 135.00 139.59 1inj s PRO 13 Ca -0.06 0.59 0.12 0.00 0.04 0.00 0.00 61.00 61.70 1inj s PRO 13 Cb -0.19 -3.99 0.47 0.00 0.04 0.00 0.00 34.50 30.82 1inj s PRO 13 CO -0.06 -1.57 1.17 0.00 0.04 0.00 0.00 177.00 176.58 1inj n ALA 14 N 8.49 4.17 -2.88 8.56 0.00 0.85 -4.19 120.51 135.51 1inj n ALA 14 Ca 0.13 -3.43 -0.33 0.00 0.00 0.00 0.00 53.44 49.81 1inj n ALA 14 Cb 0.49 -0.47 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 1inj n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1inj n ALA 15 N -0.68 5.16 0.00 0.00 0.00 -0.90 -4.18 120.51 119.91 1inj n ALA 15 Ca 0.31 -4.69 0.00 0.00 0.00 0.00 0.00 53.44 49.06 1inj n ALA 15 Cb 0.91 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1inj n ALA 15 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1inj n LYS 27 N 0.01 0.00 0.31 0.00 2.85 -1.26 -4.66 118.16 115.41 1inj n LYS 27 Ca 0.36 0.00 0.18 0.00 -1.05 0.00 0.00 58.31 57.80 1inj n LYS 27 Cb 0.34 -0.80 0.99 0.00 -0.65 0.00 0.00 35.03 34.91 1inj n LYS 27 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 177.40 176.79 1inj h GLN 28 N 0.00 0.00 -0.02 -1.58 3.07 -1.88 -1.77 115.11 112.93 1inj h GLN 28 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1inj h GLN 28 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1inj h GLN 28 CO 0.00 0.02 -0.01 0.66 0.09 0.00 0.00 178.83 179.60 1inj n TYR 29 N -3.43 0.00 -1.61 0.06 0.53 -1.26 -1.13 117.16 110.31 1inj n TYR 29 Ca -0.02 0.00 -0.32 0.00 -1.02 0.00 0.00 57.90 56.53 1inj n TYR 29 Cb 0.13 -0.00 0.06 0.00 -1.03 0.00 0.00 39.34 38.49 1inj n TYR 29 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1inj s LEU 30 N -2.01 3.27 0.19 7.72 1.43 -0.67 -4.75 118.68 123.86 1inj s LEU 30 Ca 0.32 1.90 0.10 0.00 -1.03 0.00 0.00 54.13 55.42 1inj s LEU 30 Cb 0.20 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.84 1inj s LEU 30 CO 0.32 -1.71 -0.16 -0.44 0.23 0.00 0.00 176.35 174.59 1inj s SER 31 N -2.94 3.91 -0.34 2.29 0.01 -1.26 -1.08 113.70 114.29 1inj s SER 31 Ca 0.64 -0.70 -0.01 0.00 1.31 0.00 0.00 55.95 57.19 1inj s SER 31 Cb -0.19 -0.52 0.13 0.00 0.21 0.00 0.00 66.02 65.65 1inj s SER 31 CO 0.47 0.11 0.20 -0.63 0.41 0.00 0.00 173.24 173.79 1inj s ILE 32 N -1.71 0.11 0.00 1.44 1.01 -0.20 -4.88 121.20 116.97 1inj s ILE 32 Ca 0.23 -1.57 0.00 0.00 0.00 0.00 0.00 60.65 59.31 1inj s ILE 32 Cb -0.08 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.29 1inj s ILE 32 CO 0.13 -0.95 0.00 0.61 0.00 0.00 0.00 174.94 174.73 1inj n GLY 33 N 4.22 0.86 2.92 6.18 0.00 -1.26 -4.01 105.19 114.10 1inj n GLY 33 Ca 0.09 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1inj n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1inj n ASN 34 N 0.67 -2.61 -4.12 1.61 6.94 -1.26 -4.97 115.26 111.52 1inj n ASN 34 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 54.58 54.31 1inj n ASN 34 Cb 0.35 -1.69 -0.16 0.00 -2.36 0.00 0.00 39.78 35.92 1inj n ASN 34 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 1inj s GLN 35 N -0.79 1.55 0.65 -3.83 0.74 -1.26 -5.12 119.66 111.60 1inj s GLN 35 Ca 0.00 -0.56 -0.14 0.00 0.05 0.00 0.00 55.36 54.72 1inj s GLN 35 Cb 0.00 -1.39 -0.01 0.00 1.10 0.00 0.00 33.01 32.71 1inj s GLN 35 CO 0.00 0.25 1.07 0.95 -0.55 0.00 0.00 175.29 177.01 1inj s THR 36 N -0.03 3.71 0.24 -0.34 -4.23 -1.26 -1.03 115.64 112.70 1inj s THR 36 Ca -0.01 0.71 -0.05 0.00 -1.18 0.00 0.00 61.69 61.15 1inj s THR 36 Cb -0.10 -3.28 0.22 0.00 1.34 0.00 0.00 72.50 70.68 1inj s THR 36 CO 0.01 -0.58 1.85 0.40 -0.54 0.00 0.00 174.62 175.77 1inj h ILE 37 N -0.12 1.04 -0.62 2.99 2.04 -0.98 -0.84 117.51 121.01 1inj h ILE 37 Ca -0.46 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.12 1inj h ILE 37 Cb 1.22 -0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1inj h ILE 37 CO 0.56 0.18 0.35 0.25 0.00 0.00 0.00 178.15 179.48 1inj h LEU 38 N 0.98 0.52 -0.53 1.44 5.85 -1.25 0.53 115.31 122.84 1inj h LEU 38 Ca 0.38 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 59.06 1inj h LEU 38 Cb 0.18 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1inj h LEU 38 CO -0.18 0.35 0.09 -0.33 -0.34 0.00 0.00 178.44 178.03 1inj h GLU 39 N 0.66 0.88 -0.69 1.25 5.08 -1.53 0.47 114.58 120.70 1inj h GLU 39 Ca 0.27 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1inj h GLU 39 Cb 0.14 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1inj h GLU 39 CO -0.16 0.86 0.45 0.45 -1.00 0.00 0.00 179.01 179.60 1inj h HIS 40 N 0.77 0.84 0.45 4.33 3.86 -0.60 0.91 115.15 125.70 1inj h HIS 40 Ca 0.16 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1inj h HIS 40 Cb 0.40 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1inj h HIS 40 CO 0.03 0.50 -0.22 0.77 0.86 0.00 0.00 177.93 179.87 1inj h SER 41 N 0.89 -0.52 -0.63 2.45 0.02 -0.48 -2.43 113.55 112.84 1inj h SER 41 Ca 0.27 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.16 1inj h SER 41 Cb -0.04 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1inj h SER 41 CO -0.08 -0.37 0.08 0.58 -1.14 0.00 0.00 176.83 175.90 1inj h VAL 42 N -0.61 1.26 0.00 2.27 2.07 -0.73 -2.66 116.25 117.86 1inj h VAL 42 Ca -0.06 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 1inj h VAL 42 Cb 0.47 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1inj h VAL 42 CO 0.10 0.39 -0.23 0.45 0.02 0.00 0.00 177.57 178.30 1inj h HIS 43 N 1.00 0.00 -0.48 1.57 3.86 -0.80 -1.50 115.15 118.79 1inj h HIS 43 Ca 0.19 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.32 1inj h HIS 43 Cb 0.46 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 1inj h HIS 43 CO 0.03 0.23 -0.05 0.00 0.86 0.00 0.00 177.93 179.00 1inj h ALA 44 N 1.77 1.00 -0.15 2.45 0.00 -1.07 -2.14 119.26 121.12 1inj h ALA 44 Ca -0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1inj h ALA 44 Cb 0.41 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1inj h ALA 44 CO 0.03 0.61 -0.12 -0.07 0.00 0.00 0.00 179.25 179.69 1inj h LEU 45 N 0.77 0.37 -0.57 0.00 3.38 -1.30 -3.09 115.31 114.87 1inj h LEU 45 Ca 0.14 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1inj h LEU 45 Cb 0.54 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1inj h LEU 45 CO 0.03 0.75 0.00 0.18 0.09 0.00 0.00 178.44 179.49 1inj n LEU 46 N -4.58 0.43 0.16 1.67 4.77 -0.63 -2.49 117.00 116.32 1inj n LEU 46 Ca -0.06 0.62 0.01 0.00 -0.03 0.00 0.00 56.01 56.56 1inj n LEU 46 Cb 0.34 -0.59 0.32 0.00 -2.33 0.00 0.00 43.42 41.16 1inj n LEU 46 CO 0.39 -0.54 0.70 0.00 -1.33 0.00 0.00 177.39 176.61 1inj h ALA 47 N 2.26 1.31 -2.42 -1.18 0.00 -1.29 -3.42 119.26 114.52 1inj h ALA 47 Ca 0.00 -0.36 -0.55 0.00 0.00 0.00 0.00 54.91 54.00 1inj h ALA 47 Cb 0.25 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1inj h ALA 47 CO 0.00 0.51 0.37 -1.58 0.00 0.00 0.00 179.25 178.54 1inj s HIS 48 N -4.18 3.61 0.44 0.00 5.65 -1.04 -4.94 115.29 114.83 1inj s HIS 48 Ca -0.03 1.59 0.20 0.00 0.25 0.00 0.00 55.06 57.07 1inj s HIS 48 Cb 0.14 -3.08 1.16 0.00 -1.18 0.00 0.00 32.58 29.62 1inj s HIS 48 CO 0.74 -0.05 1.87 -1.35 -0.65 0.00 0.00 174.74 175.30 1inj h PRO 49 N 6.88 0.32 0.00 2.88 0.11 -1.89 -2.00 132.00 138.30 1inj h PRO 49 Ca -0.38 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 1inj h PRO 49 Cb 1.20 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1inj h PRO 49 CO 0.78 0.21 -0.18 0.00 -0.21 0.00 0.00 178.00 178.60 1inj h ARG 50 N 0.32 0.00 -6.39 1.05 3.08 -1.92 -3.40 114.38 107.12 1inj h ARG 50 Ca 0.45 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.96 1inj h ARG 50 Cb 1.25 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.23 1inj h ARG 50 CO -0.14 0.18 1.10 0.08 -1.07 0.00 0.00 179.97 180.11 1inj s VAL 51 N -3.75 3.77 -0.47 2.04 1.01 -0.75 -1.47 120.40 120.78 1inj s VAL 51 Ca -0.00 0.61 0.23 0.00 0.00 0.00 0.00 61.98 62.82 1inj s VAL 51 Cb 0.11 -4.53 -0.10 0.00 0.00 0.00 0.00 36.38 31.86 1inj s VAL 51 CO 0.61 -1.31 1.00 0.29 0.00 0.00 0.00 175.10 175.69 1inj n LYS 52 N 8.82 0.40 -3.63 2.72 4.76 -0.46 -4.87 118.16 125.90 1inj n LYS 52 Ca 0.11 0.01 -0.15 0.00 -2.87 0.00 0.00 58.31 55.40 1inj n LYS 52 Cb 0.49 -1.65 -0.07 0.00 -1.84 0.00 0.00 35.03 31.96 1inj n LYS 52 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1inj s ARG 53 N -3.27 0.85 -0.11 1.97 3.52 -1.23 -4.80 118.95 115.88 1inj s ARG 53 Ca 0.02 0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.97 1inj s ARG 53 Cb 0.13 0.40 0.02 0.00 -1.56 0.00 0.00 34.95 33.94 1inj s ARG 53 CO 0.80 -0.21 -0.09 0.08 -0.81 0.00 0.00 175.30 175.07 1inj s VAL 54 N -0.71 1.06 -0.26 7.11 1.01 -0.28 0.36 120.40 128.70 1inj s VAL 54 Ca -0.08 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 1inj s VAL 54 Cb -0.03 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1inj s VAL 54 CO 0.06 0.37 0.11 -0.69 0.00 0.00 0.00 175.10 174.95 1inj s VAL 55 N 1.53 4.71 -0.21 2.92 1.01 0.11 -1.25 120.40 129.23 1inj s VAL 55 Ca 0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 1inj s VAL 55 Cb -0.13 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1inj s VAL 55 CO -0.06 0.31 -0.00 -0.63 0.00 0.00 0.00 175.10 174.72 1inj s ILE 56 N 1.59 3.87 -0.27 2.22 1.01 -0.19 -0.54 121.20 128.89 1inj s ILE 56 Ca 0.06 -0.33 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 1inj s ILE 56 Cb -0.15 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1inj s ILE 56 CO 0.06 0.42 0.29 0.00 0.00 0.00 0.00 174.94 175.71 1inj s ALA 57 N 1.16 3.55 0.23 9.38 0.00 -0.58 -1.58 121.76 133.93 1inj s ALA 57 Ca 0.03 -0.92 0.11 0.00 0.00 0.00 0.00 51.96 51.18 1inj s ALA 57 Cb -0.14 -2.61 -0.05 0.00 0.00 0.00 0.00 23.12 20.32 1inj s ALA 57 CO 0.01 -0.60 -0.21 0.96 0.00 0.00 0.00 175.76 175.92 1inj s ILE 58 N 1.91 2.48 0.43 0.00 -4.36 -0.02 -0.11 121.20 121.52 1inj s ILE 58 Ca 0.12 -2.17 -0.24 0.00 -0.26 0.00 0.00 60.65 58.10 1inj s ILE 58 Cb -0.16 -2.24 -0.08 0.00 1.25 0.00 0.00 42.46 41.23 1inj s ILE 58 CO 0.10 -0.24 1.15 -0.55 0.24 0.00 0.00 174.94 175.64 1inj s SER 59 N -3.06 6.38 0.30 4.36 0.15 -1.26 0.23 113.70 120.80 1inj s SER 59 Ca 0.25 2.27 -0.29 0.00 0.70 0.00 0.00 55.95 58.88 1inj s SER 59 Cb -0.07 -2.60 -0.10 0.00 -1.71 0.00 0.00 66.02 61.54 1inj s SER 59 CO 0.13 -0.77 1.37 -2.16 1.20 0.00 0.00 173.24 173.01 1inj s PRO 60 N -2.55 4.30 0.00 5.44 0.04 -1.26 -1.74 135.00 139.24 1inj s PRO 60 Ca 0.61 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.92 1inj s PRO 60 Cb -0.28 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1inj s PRO 60 CO 0.34 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1inj n GLY 61 N 1.39 1.20 3.56 0.56 0.00 -1.26 -5.00 105.19 105.64 1inj n GLY 61 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1inj n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1inj s ASP 62 N -1.98 5.26 0.00 1.61 2.15 -0.71 -4.81 116.67 118.19 1inj s ASP 62 Ca 0.00 0.80 0.22 0.00 0.43 0.00 0.00 52.55 54.00 1inj s ASP 62 Cb 0.00 -2.52 0.51 0.00 -0.30 0.00 0.00 42.92 40.61 1inj s ASP 62 CO 0.00 -2.30 1.44 -1.54 -0.17 0.00 0.00 175.17 172.60 1inj n SER 63 N 12.76 2.99 0.03 -0.34 3.41 -1.26 -4.37 113.62 126.83 1inj n SER 63 Ca 0.25 -1.93 -0.22 0.00 -0.26 0.00 0.00 58.87 56.71 1inj n SER 63 Cb 0.51 -0.23 -0.14 0.00 -0.26 0.00 0.00 64.21 64.09 1inj n SER 63 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1inj h ARG 64 N 3.81 0.29 -0.43 4.33 3.08 -2.00 -3.39 114.38 120.07 1inj h ARG 64 Ca 0.00 -0.50 0.09 0.00 0.07 0.00 0.00 59.98 59.64 1inj h ARG 64 Cb 0.84 0.19 -0.09 0.00 0.08 0.00 0.00 29.97 30.99 1inj h ARG 64 CO 0.00 1.24 -0.13 0.35 -1.07 0.00 0.00 179.97 180.36 1inj h PHE 65 N -0.10 -0.30 -0.13 3.04 3.57 -1.98 -1.41 116.94 119.62 1inj h PHE 65 Ca -0.35 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.23 1inj h PHE 65 Cb 1.92 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.86 1inj h PHE 65 CO 0.11 -0.21 0.27 0.00 -2.23 0.00 0.00 178.31 176.24 1inj h ALA 66 N 1.37 1.57 -0.42 2.41 0.00 -1.83 0.14 119.26 122.50 1inj h ALA 66 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1inj h ALA 66 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1inj h ALA 66 CO -0.46 -0.34 0.00 1.04 0.00 0.00 0.00 179.25 179.48 1inj n GLN 67 N -3.33 2.03 -4.03 0.00 1.13 -0.53 -4.81 117.38 107.84 1inj n GLN 67 Ca 0.01 -1.60 -0.24 0.00 -1.94 0.00 0.00 57.00 53.24 1inj n GLN 67 Cb 0.37 -1.36 -0.04 0.00 0.11 0.00 0.00 30.24 29.32 1inj n GLN 67 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1inj s LEU 68 N -1.08 4.08 0.54 1.08 1.43 0.50 -5.01 118.68 120.22 1inj s LEU 68 Ca 0.31 -0.04 0.29 0.00 -1.03 0.00 0.00 54.13 53.66 1inj s LEU 68 Cb 0.16 -2.64 1.51 0.00 0.03 0.00 0.00 46.19 45.26 1inj s LEU 68 CO 0.22 -0.00 2.09 -0.65 0.23 0.00 0.00 176.35 178.23 1inj h PRO 69 N 1.75 0.00 0.00 1.29 0.11 -1.90 -2.36 132.00 130.89 1inj h PRO 69 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1inj h PRO 69 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1inj h PRO 69 CO 0.63 0.10 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.42 1inj h LEU 70 N 0.00 0.00 -2.03 2.35 3.38 -1.95 -2.54 115.31 114.52 1inj h LEU 70 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1inj h LEU 70 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1inj h LEU 70 CO 0.01 0.03 -0.09 0.00 0.09 0.00 0.00 178.44 178.48 1inj h ALA 71 N 1.97 1.31 -0.07 1.53 0.00 -1.63 -2.95 119.26 119.41 1inj h ALA 71 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1inj h ALA 71 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1inj h ALA 71 CO 0.00 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.46 1inj n ASN 72 N -3.64 2.53 -4.72 0.00 4.13 -0.96 -5.02 115.26 107.57 1inj n ASN 72 Ca -0.02 -2.66 -0.42 0.00 1.68 0.00 0.00 54.58 53.16 1inj n ASN 72 Cb 0.21 -0.30 -0.03 0.00 -1.54 0.00 0.00 39.78 38.11 1inj n ASN 72 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1inj s HIS 73 N -2.15 3.50 0.54 3.10 2.46 -1.12 -4.93 115.29 116.70 1inj s HIS 73 Ca 0.23 1.43 0.37 0.00 0.47 0.00 0.00 55.06 57.56 1inj s HIS 73 Cb 0.19 -3.35 1.98 0.00 -0.13 0.00 0.00 32.58 31.28 1inj s HIS 73 CO 0.04 -0.95 2.25 -1.00 -2.47 0.00 0.00 174.74 172.61 1inj h PRO 74 N 6.34 0.00 -0.39 2.88 0.13 -1.95 -2.29 132.00 136.72 1inj h PRO 74 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1inj h PRO 74 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1inj h PRO 74 CO 0.78 0.02 0.00 1.04 -0.23 0.00 0.00 178.00 179.61 1inj n GLN 75 N -3.38 2.49 -4.75 0.86 6.02 -1.26 -4.91 117.38 112.45 1inj n GLN 75 Ca -0.02 -2.28 -0.33 0.00 -0.01 0.00 0.00 57.00 54.35 1inj n GLN 75 Cb 0.13 -1.51 -0.14 0.00 1.02 0.00 0.00 30.24 29.74 1inj n GLN 75 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1inj s ILE 76 N -1.45 3.12 -0.06 5.09 1.01 -0.86 -1.13 121.20 126.92 1inj s ILE 76 Ca 0.38 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.45 1inj s ILE 76 Cb 0.22 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 1inj s ILE 76 CO 0.31 0.52 -0.24 -0.89 0.00 0.00 0.00 174.94 174.64 1inj s THR 77 N 0.32 2.10 -0.07 2.92 2.01 -0.38 -4.73 115.64 117.81 1inj s THR 77 Ca -0.10 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.86 1inj s THR 77 Cb -0.16 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 1inj s THR 77 CO 0.05 0.57 -0.06 0.54 -0.69 0.00 0.00 174.62 175.04 1inj s VAL 78 N -0.12 3.80 0.05 3.82 0.11 -1.26 -1.03 120.40 125.78 1inj s VAL 78 Ca -0.05 -0.44 -0.01 0.00 -2.93 0.00 0.00 61.98 58.55 1inj s VAL 78 Cb -0.14 -2.56 -0.04 0.00 -1.53 0.00 0.00 36.38 32.11 1inj s VAL 78 CO 0.04 0.60 -0.02 0.68 -3.33 0.00 0.00 175.10 173.07 1inj s VAL 79 N -0.80 0.21 0.04 2.04 -7.23 -0.61 -4.96 120.40 109.09 1inj s VAL 79 Ca 0.12 -1.72 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 1inj s VAL 79 Cb -0.11 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1inj s VAL 79 CO 0.02 -0.95 1.07 -1.81 -0.31 0.00 0.00 175.10 173.11 1inj s ASP 80 N -2.80 7.27 0.43 4.85 1.01 -1.26 -0.84 116.67 125.32 1inj s ASP 80 Ca 0.05 1.82 0.00 0.00 0.71 0.00 0.00 52.55 55.13 1inj s ASP 80 Cb 0.06 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1inj s ASP 80 CO -0.09 -0.32 0.00 0.61 0.21 0.00 0.00 175.17 175.58 1inj n GLY 81 N 2.92 -0.18 0.00 0.21 0.00 0.14 -4.76 105.19 103.53 1inj n GLY 81 Ca 0.07 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1inj n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1inj n GLY 82 N 5.00 6.68 0.14 -0.02 0.00 -1.26 -4.79 105.19 110.93 1inj n GLY 82 Ca 0.00 -1.91 -0.21 0.00 0.00 0.00 0.00 46.02 43.91 1inj n GLY 82 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1inj h ASP 83 N 0.00 0.69 -2.02 1.61 3.32 -1.93 -3.44 116.42 114.64 1inj h ASP 83 Ca 0.00 -0.71 -0.52 0.00 0.02 0.00 0.00 57.03 55.82 1inj h ASP 83 Cb 0.00 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.27 1inj h ASP 83 CO 0.00 1.54 -0.52 -1.61 -1.72 0.00 0.00 179.24 176.93 1inj s GLU 84 N -2.72 2.65 0.09 3.56 0.41 -1.26 -5.03 118.70 116.39 1inj s GLU 84 Ca -0.07 -1.29 -0.23 0.00 -0.41 0.00 0.00 54.97 52.97 1inj s GLU 84 Cb 0.06 -2.39 -0.15 0.00 -1.78 0.00 0.00 34.13 29.87 1inj s GLU 84 CO 0.92 0.24 1.73 -0.09 -0.49 0.00 0.00 175.26 177.57 1inj h ARG 85 N 1.49 -0.04 -0.65 1.61 2.43 -1.95 -2.06 114.38 115.21 1inj h ARG 85 Ca -0.46 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 58.81 1inj h ARG 85 Cb 1.25 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.77 1inj h ARG 85 CO 0.60 -0.03 0.43 0.00 -1.51 0.00 0.00 179.97 179.47 1inj h ALA 86 N 0.94 1.95 -0.25 2.80 0.00 -1.96 -0.90 119.26 121.83 1inj h ALA 86 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1inj h ALA 86 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1inj h ALA 86 CO 0.00 -0.09 0.12 -0.44 0.00 0.00 0.00 179.25 178.84 1inj h ASP 87 N 0.49 0.34 -0.09 0.00 3.45 -1.78 -0.90 116.42 117.92 1inj h ASP 87 Ca 0.30 -0.13 -0.10 0.00 0.43 0.00 0.00 57.03 57.53 1inj h ASP 87 Cb 0.51 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.18 1inj h ASP 87 CO -0.09 0.37 -0.25 0.28 -1.57 0.00 0.00 179.24 177.98 1inj h SER 88 N 0.28 0.53 -0.39 6.45 0.02 -0.70 -2.07 113.55 117.67 1inj h SER 88 Ca 0.09 -0.18 -0.13 0.00 -0.84 0.00 0.00 61.79 60.72 1inj h SER 88 Cb 0.13 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1inj h SER 88 CO -0.01 0.78 -0.26 0.58 -1.14 0.00 0.00 176.83 176.78 1inj h VAL 89 N 0.47 1.27 -0.74 2.27 2.07 -1.02 -1.38 116.25 119.19 1inj h VAL 89 Ca 0.07 -1.42 -0.05 0.00 0.82 0.00 0.00 66.70 66.12 1inj h VAL 89 Cb 0.69 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1inj h VAL 89 CO 0.05 0.48 0.27 -0.07 0.02 0.00 0.00 177.57 178.33 1inj h LEU 90 N 0.78 1.04 -0.84 2.57 3.38 -0.95 -0.69 115.31 120.60 1inj h LEU 90 Ca 0.09 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1inj h LEU 90 Cb 0.82 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1inj h LEU 90 CO 0.07 0.94 0.41 0.00 0.09 0.00 0.00 178.44 179.95 1inj h ALA 91 N 1.14 1.08 -0.60 1.53 0.00 -1.17 -2.55 119.26 118.69 1inj h ALA 91 Ca 0.24 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1inj h ALA 91 Cb 0.25 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1inj h ALA 91 CO -0.02 0.64 0.20 0.78 0.00 0.00 0.00 179.25 180.86 1inj h GLY 92 N 1.19 0.98 1.99 0.00 0.00 -0.65 -2.69 103.07 103.89 1inj h GLY 92 Ca 0.29 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1inj h GLY 92 CO -0.04 0.53 0.00 1.41 0.00 0.00 0.00 176.54 178.45 1inj h LEU 93 N 0.84 0.00 -1.34 3.11 3.38 -0.74 -1.73 115.31 118.83 1inj h LEU 93 Ca 0.19 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1inj h LEU 93 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1inj h LEU 93 CO -0.01 0.00 -0.17 0.11 0.09 0.00 0.00 178.44 178.46 1inj h LYS 94 N 0.00 0.00 -0.35 1.13 1.57 -1.22 -2.71 116.57 114.98 1inj h LYS 94 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1inj h LYS 94 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1inj h LYS 94 CO -0.00 0.17 0.00 0.00 -0.57 0.00 0.00 179.45 179.05 1inj n ALA 95 N -2.22 2.98 1.59 3.86 0.00 -0.66 -4.53 120.51 121.53 1inj n ALA 95 Ca -0.00 -1.99 0.05 0.00 0.00 0.00 0.00 53.44 51.50 1inj n ALA 95 Cb 0.37 -0.75 0.19 0.00 0.00 0.00 0.00 19.45 19.26 1inj n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1inj n ALA 96 N -0.02 2.51 -0.81 0.00 0.00 -1.02 -4.97 120.51 116.19 1inj n ALA 96 Ca 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1inj n ALA 96 Cb 0.85 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1inj n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1inj n GLY 97 N 0.79 2.27 1.77 0.00 0.00 -1.26 -2.56 105.19 106.20 1inj n GLY 97 Ca 0.08 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.76 1inj n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1inj n ASP 98 N -0.44 5.33 -4.66 1.61 5.68 -1.26 -4.98 116.55 117.82 1inj n ASP 98 Ca 0.00 -2.82 -0.46 0.00 -0.50 0.00 0.00 54.79 51.02 1inj n ASP 98 Cb 0.00 -0.66 -0.03 0.00 -1.14 0.00 0.00 41.12 39.28 1inj n ASP 98 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1inj n ALA 99 N 0.64 1.00 0.07 2.12 0.00 -1.06 -4.89 120.51 118.39 1inj n ALA 99 Ca 0.26 0.43 -0.03 0.00 0.00 0.00 0.00 53.44 54.10 1inj n ALA 99 Cb 1.10 -2.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 1inj n ALA 99 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1inj h GLN 100 N 4.72 0.00 -5.24 0.00 4.20 -1.88 -3.42 115.11 113.49 1inj h GLN 100 Ca -0.45 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 57.77 1inj h GLN 100 Cb 1.27 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 28.76 1inj h GLN 100 CO 0.80 0.65 -0.81 -1.58 -0.67 0.00 0.00 178.83 177.22 1inj s TRP 101 N -2.81 1.27 -0.00 2.96 0.52 -1.26 -1.24 118.94 118.38 1inj s TRP 101 Ca 0.01 -0.26 0.08 0.00 0.02 0.00 0.00 56.10 55.95 1inj s TRP 101 Cb 0.09 -0.83 -0.02 0.00 -1.15 0.00 0.00 33.47 31.56 1inj s TRP 101 CO 0.80 -0.04 -0.24 0.54 0.02 0.00 0.00 176.95 178.02 1inj s VAL 102 N -0.27 1.93 -0.29 4.03 0.11 -0.03 -2.45 120.40 123.44 1inj s VAL 102 Ca 0.04 -1.11 -0.02 0.00 -2.93 0.00 0.00 61.98 57.96 1inj s VAL 102 Cb -0.06 -1.62 0.04 0.00 -1.53 0.00 0.00 36.38 33.21 1inj s VAL 102 CO -0.00 0.49 0.00 -0.22 -3.33 0.00 0.00 175.10 172.03 1inj s LEU 103 N -0.73 3.79 -0.24 2.54 2.96 -0.49 -1.63 118.68 124.89 1inj s LEU 103 Ca 0.10 -1.16 -0.12 0.00 -0.22 0.00 0.00 54.13 52.73 1inj s LEU 103 Cb -0.09 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 1inj s LEU 103 CO -0.00 -0.24 0.22 -0.69 -1.32 0.00 0.00 176.35 174.32 1inj s VAL 104 N 1.29 5.31 -0.01 1.68 1.01 0.32 -0.74 120.40 129.26 1inj s VAL 104 Ca -0.04 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.28 1inj s VAL 104 Cb -0.19 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 1inj s VAL 104 CO -0.01 0.31 -0.10 -2.28 0.00 0.00 0.00 175.10 173.02 1inj s HIS 105 N 1.21 0.90 0.31 5.22 2.46 -0.72 -1.10 115.29 123.58 1inj s HIS 105 Ca 0.10 -0.19 -0.29 0.00 0.47 0.00 0.00 55.06 55.15 1inj s HIS 105 Cb -0.14 -0.60 -0.11 0.00 -0.13 0.00 0.00 32.58 31.60 1inj s HIS 105 CO 0.06 -0.04 1.53 -0.51 -2.47 0.00 0.00 174.74 173.31 1inj s ASP 106 N -0.08 6.42 0.45 9.88 -0.00 -1.26 -4.09 116.67 127.98 1inj s ASP 106 Ca 0.01 2.93 0.18 0.00 -0.00 0.00 0.00 52.55 55.68 1inj s ASP 106 Cb -0.05 -2.64 1.05 0.00 -0.00 0.00 0.00 42.92 41.27 1inj s ASP 106 CO -0.00 -0.86 1.96 0.00 -0.00 0.00 0.00 175.17 176.27 1inj h ALA 107 N 4.29 1.45 -0.86 5.23 0.00 -1.92 -3.04 119.26 124.40 1inj h ALA 107 Ca -0.48 -0.20 -0.36 0.00 0.00 0.00 0.00 54.91 53.87 1inj h ALA 107 Cb 1.23 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.77 1inj h ALA 107 CO 0.74 0.28 0.46 0.00 0.00 0.00 0.00 179.25 180.73 1inj n ALA 108 N -2.41 5.06 -3.88 0.00 0.00 -1.26 -3.95 120.51 114.06 1inj n ALA 108 Ca -0.02 -2.56 -0.28 0.00 0.00 0.00 0.00 53.44 50.58 1inj n ALA 108 Cb 0.30 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.28 1inj n ALA 108 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1inj s ARG 109 N -3.09 2.39 0.00 0.00 0.52 -1.15 -0.59 118.95 117.02 1inj s ARG 109 Ca 0.55 -3.29 0.29 0.00 -0.52 0.00 0.00 55.73 52.77 1inj s ARG 109 Cb 0.45 -3.33 1.34 0.00 0.52 0.00 0.00 34.95 33.93 1inj s ARG 109 CO 0.12 -1.29 1.93 -0.35 0.02 0.00 0.00 175.30 175.73 1inj n PRO 110 N 2.02 0.66 -0.31 3.54 -0.04 -1.26 -4.09 135.00 135.51 1inj n PRO 110 Ca 0.20 -0.17 0.10 0.00 -0.04 0.00 0.00 63.50 63.59 1inj n PRO 110 Cb 0.35 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.59 1inj n PRO 110 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1inj n LEU 112 N 1.30 3.32 -4.83 0.00 7.94 -1.26 -4.67 117.00 118.81 1inj n LEU 112 Ca 0.21 1.12 -0.32 0.00 -1.11 0.00 0.00 56.01 55.90 1inj n LEU 112 Cb 0.52 -1.46 -0.06 0.00 0.53 0.00 0.00 43.42 42.95 1inj n LEU 112 CO 0.14 -0.30 -0.22 -1.00 -1.11 0.00 0.00 177.39 174.90 1inj s HIS 113 N 0.33 3.35 0.41 1.96 3.76 -1.26 -4.93 115.29 118.90 1inj s HIS 113 Ca 0.71 0.21 0.08 0.00 -0.15 0.00 0.00 55.06 55.91 1inj s HIS 113 Cb -0.63 -1.73 0.85 0.00 1.11 0.00 0.00 32.58 32.18 1inj s HIS 113 CO 0.45 0.57 2.04 1.96 -0.85 0.00 0.00 174.74 178.90 1inj h GLN 114 N 3.70 0.48 -0.39 1.40 1.08 -1.94 -2.14 115.11 117.29 1inj h GLN 114 Ca -0.48 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 56.61 1inj h GLN 114 Cb 1.18 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.49 1inj h GLN 114 CO 0.67 0.36 -0.03 0.38 -0.95 0.00 0.00 178.83 179.25 1inj h ASP 115 N 0.49 0.70 -0.31 1.46 3.04 -1.99 0.08 116.42 119.88 1inj h ASP 115 Ca 0.13 -0.33 -0.02 0.00 -3.24 0.00 0.00 57.03 53.57 1inj h ASP 115 Cb 0.02 -0.19 -0.01 0.00 -1.04 0.00 0.00 39.33 38.10 1inj h ASP 115 CO -0.02 0.86 0.12 0.44 -2.04 0.00 0.00 179.24 178.59 1inj h ASP 116 N 0.52 0.43 -0.48 4.15 3.32 -1.88 -1.89 116.42 120.59 1inj h ASP 116 Ca 0.11 -0.17 0.04 0.00 0.02 0.00 0.00 57.03 57.02 1inj h ASP 116 Cb 0.52 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 1inj h ASP 116 CO 0.03 0.48 0.26 0.25 -1.72 0.00 0.00 179.24 178.54 1inj h LEU 117 N 0.35 0.39 -1.00 1.55 5.85 -1.26 -0.49 115.31 120.70 1inj h LEU 117 Ca 0.10 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1inj h LEU 117 Cb 0.19 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1inj h LEU 117 CO -0.01 0.27 0.36 0.00 -0.34 0.00 0.00 178.44 178.73 1inj h ALA 118 N 1.25 1.22 -0.06 1.25 0.00 -0.79 -1.29 119.26 120.84 1inj h ALA 118 Ca 0.21 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1inj h ALA 118 Cb 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1inj h ALA 118 CO -0.13 0.60 -0.52 0.00 0.00 0.00 0.00 179.25 179.20 1inj h ARG 119 N 1.07 0.17 -0.18 0.00 3.08 -0.80 -2.73 114.38 114.99 1inj h ARG 119 Ca 0.26 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 1inj h ARG 119 Cb 0.10 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1inj h ARG 119 CO -0.03 0.66 -0.05 1.25 -1.07 0.00 0.00 179.97 180.72 1inj h LEU 120 N 0.14 0.36 -2.40 3.04 5.85 -0.50 -3.00 115.31 118.80 1inj h LEU 120 Ca 0.00 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1inj h LEU 120 Cb 0.97 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 1inj h LEU 120 CO 0.08 0.65 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.73 1inj h LEU 121 N 0.07 0.00 -2.51 2.25 3.38 -1.13 -1.94 115.31 115.44 1inj h LEU 121 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1inj h LEU 121 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1inj h LEU 121 CO 0.02 0.03 -0.01 0.00 0.09 0.00 0.00 178.44 178.57 1inj h ALA 122 N 1.97 1.03 -0.14 1.53 0.00 -1.33 -2.81 119.26 119.50 1inj h ALA 122 Ca -0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1inj h ALA 122 Cb 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1inj h ALA 122 CO 0.00 0.01 0.14 -0.07 0.00 0.00 0.00 179.25 179.33 1inj h LEU 123 N 0.00 0.00 -1.03 0.00 3.38 -1.49 -1.84 115.31 114.33 1inj h LEU 123 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1inj h LEU 123 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1inj h LEU 123 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.30 1inj h SER 124 N 0.00 0.00 0.08 -0.43 4.64 -1.74 0.11 113.55 116.21 1inj h SER 124 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1inj h SER 124 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1inj h SER 124 CO -0.00 0.00 -0.91 -0.62 -0.87 0.00 0.00 176.83 174.43 1inj n GLU 125 N -2.31 0.02 0.00 4.77 -0.58 -0.69 -4.47 120.64 117.39 1inj n GLU 125 Ca 0.01 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1inj n GLU 125 Cb 0.17 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1inj n GLU 125 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1inj n THR 126 N -1.47 0.16 -3.92 2.62 -2.24 -0.88 -5.09 114.28 103.46 1inj n THR 126 Ca 0.04 -0.28 -0.10 0.00 -2.27 0.00 0.00 64.05 61.45 1inj n THR 126 Cb 0.33 1.27 -0.10 0.00 -2.10 0.00 0.00 70.33 69.73 1inj n THR 126 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1inj s SER 127 N -0.16 0.13 0.00 3.42 0.15 0.33 -5.02 113.70 112.55 1inj s SER 127 Ca 0.00 -0.38 0.07 0.00 0.70 0.00 0.00 55.95 56.35 1inj s SER 127 Cb 0.00 0.18 0.11 0.00 -1.71 0.00 0.00 66.02 64.60 1inj s SER 127 CO 0.00 -0.39 0.89 0.54 1.20 0.00 0.00 173.24 175.49 1inj n ARG 128 N 1.31 1.06 -0.04 5.44 1.74 -1.26 -4.58 116.66 120.34 1inj n ARG 128 Ca -0.22 -1.28 -0.04 0.00 -0.77 0.00 0.00 57.85 55.54 1inj n ARG 128 Cb 0.56 -1.16 -0.05 0.00 -1.02 0.00 0.00 32.46 30.79 1inj n ARG 128 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1inj n THR 129 N 0.35 0.47 -0.53 0.55 -1.04 -1.26 -4.81 114.28 108.00 1inj n THR 129 Ca 0.06 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1inj n THR 129 Cb 0.25 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 1inj n THR 129 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1inj n GLY 130 N 2.68 -1.80 1.42 3.41 0.00 -1.26 -4.41 105.19 105.23 1inj n GLY 130 Ca -0.12 -1.94 0.01 0.00 0.00 0.00 0.00 46.02 43.97 1inj n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1inj n GLY 131 N 0.00 0.58 3.15 -0.02 0.00 -0.10 -1.13 105.19 107.67 1inj n GLY 131 Ca 0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 1inj n GLY 131 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1inj s ILE 132 N -2.15 0.16 0.15 -0.61 -4.36 -0.18 -0.60 121.20 113.61 1inj s ILE 132 Ca 0.10 -1.72 -0.28 0.00 -0.26 0.00 0.00 60.65 58.50 1inj s ILE 132 Cb -0.00 -1.70 -0.07 0.00 1.25 0.00 0.00 42.46 41.93 1inj s ILE 132 CO 0.00 -0.71 0.86 -0.76 0.24 0.00 0.00 174.94 174.57 1inj s LEU 133 N -2.96 4.57 0.06 0.37 1.43 -0.99 -0.86 118.68 120.29 1inj s LEU 133 Ca 0.13 1.73 -0.14 0.00 -1.03 0.00 0.00 54.13 54.83 1inj s LEU 133 Cb 0.07 -3.43 0.02 0.00 0.03 0.00 0.00 46.19 42.88 1inj s LEU 133 CO -0.05 0.10 0.30 0.00 0.23 0.00 0.00 176.35 176.94 1inj s ALA 134 N -0.73 -0.67 -0.07 4.21 0.00 -0.58 -0.27 121.76 123.65 1inj s ALA 134 Ca 0.40 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.35 1inj s ALA 134 Cb -0.24 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 1inj s ALA 134 CO 0.28 -0.45 -0.24 0.00 0.00 0.00 0.00 175.76 175.35 1inj s ALA 135 N -2.84 2.18 0.43 0.00 0.00 -0.53 -0.34 121.76 120.66 1inj s ALA 135 Ca -0.03 -1.02 -0.25 0.00 0.00 0.00 0.00 51.96 50.66 1inj s ALA 135 Cb 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 23.12 22.31 1inj s ALA 135 CO -0.05 0.37 1.32 -2.14 0.00 0.00 0.00 175.76 175.26 1inj s PRO 136 N 0.00 3.81 0.13 0.00 0.02 -1.26 0.18 135.00 137.88 1inj s PRO 136 Ca -0.09 2.17 -0.30 0.00 0.02 0.00 0.00 61.00 62.80 1inj s PRO 136 Cb -0.15 -2.65 -0.07 0.00 0.02 0.00 0.00 34.50 31.64 1inj s PRO 136 CO 0.05 -0.63 1.26 0.08 -0.33 0.00 0.00 177.00 177.44 1inj s VAL 137 N -1.28 3.60 -0.19 3.83 1.01 -0.67 -4.80 120.40 121.90 1inj s VAL 137 Ca 0.60 1.23 -0.13 0.00 0.00 0.00 0.00 61.98 63.67 1inj s VAL 137 Cb -0.38 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 1inj s VAL 137 CO 0.49 0.14 -0.30 0.54 0.00 0.00 0.00 175.10 175.97 1inj n ARG 138 N 3.33 0.47 -0.99 2.72 5.12 -1.26 -4.92 116.66 121.14 1inj n ARG 138 Ca 0.08 0.20 -0.32 0.00 -1.93 0.00 0.00 57.85 55.87 1inj n ARG 138 Cb 0.44 -1.30 0.14 0.00 -1.16 0.00 0.00 32.46 30.58 1inj n ARG 138 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1inj s ASP 139 N -6.58 3.43 0.12 0.55 1.01 -1.26 -4.96 116.67 108.98 1inj s ASP 139 Ca -0.29 2.27 -0.30 0.00 0.71 0.00 0.00 52.55 54.94 1inj s ASP 139 Cb 0.08 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.38 1inj s ASP 139 CO 0.39 -2.77 1.07 -0.89 0.21 0.00 0.00 175.17 173.18 1inj s THR 140 N -2.37 4.16 -0.03 -1.27 2.01 -1.26 -4.89 115.64 111.99 1inj s THR 140 Ca 0.70 1.75 -0.01 0.00 0.31 0.00 0.00 61.69 64.44 1inj s THR 140 Cb -0.26 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 1inj s THR 140 CO 0.53 0.25 0.04 -0.04 -0.69 0.00 0.00 174.62 174.72 1inj s MET 141 N 0.10 2.99 0.01 4.92 1.00 -1.26 -5.05 119.30 122.02 1inj s MET 141 Ca 0.51 -0.48 0.07 0.00 0.00 0.00 0.00 55.69 55.79 1inj s MET 141 Cb -0.27 -2.81 -0.02 0.00 0.00 0.00 0.00 34.83 31.73 1inj s MET 141 CO 0.32 0.66 -0.22 0.15 0.00 0.00 0.00 175.02 175.93 1inj s LYS 142 N -1.44 1.68 -0.23 2.03 -0.14 -1.26 -0.76 119.74 119.62 1inj s LYS 142 Ca 0.19 -0.87 -0.08 0.00 -1.36 0.00 0.00 55.97 53.86 1inj s LYS 142 Cb -0.12 -1.70 -0.04 0.00 -1.68 0.00 0.00 37.83 34.30 1inj s LYS 142 CO 0.10 0.45 0.09 0.50 -0.76 0.00 0.00 175.35 175.73 1inj s ARG 143 N -0.78 3.85 0.53 1.68 6.06 -0.05 -4.85 118.95 125.39 1inj s ARG 143 Ca 0.09 -0.39 -0.14 0.00 -2.50 0.00 0.00 55.73 52.79 1inj s ARG 143 Cb -0.09 -3.34 -0.06 0.00 0.06 0.00 0.00 34.95 31.52 1inj s ARG 143 CO 0.00 0.01 0.96 0.00 -2.50 0.00 0.00 175.30 173.78 1inj s ALA 144 N 1.10 3.13 0.34 6.12 0.00 -1.26 -0.03 121.76 131.16 1inj s ALA 144 Ca 0.05 0.02 -0.27 0.00 0.00 0.00 0.00 51.96 51.76 1inj s ALA 144 Cb -0.14 -3.03 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 1inj s ALA 144 CO 0.04 -0.35 1.07 -1.21 0.00 0.00 0.00 175.76 175.31 1inj s GLU 145 N -4.42 4.38 -0.23 0.00 2.02 0.12 -4.54 118.70 116.03 1inj s GLU 145 Ca 0.56 1.65 -0.35 0.00 0.02 0.00 0.00 54.97 56.86 1inj s GLU 145 Cb -0.10 -2.85 -0.12 0.00 0.10 0.00 0.00 34.13 31.16 1inj s GLU 145 CO 0.39 0.02 2.00 -0.35 0.02 0.00 0.00 175.26 177.34 1inj n PRO 146 N 0.52 1.57 -0.04 0.39 -0.04 -1.26 -2.03 135.00 134.10 1inj n PRO 146 Ca 0.02 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 1inj n PRO 146 Cb 0.47 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 1inj n PRO 146 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1inj n GLY 147 N 5.30 0.53 3.48 0.55 0.00 -1.26 -5.06 105.19 108.73 1inj n GLY 147 Ca 0.31 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 1inj n GLY 147 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1inj s LYS 148 N -0.83 1.36 -0.23 1.61 -2.85 -0.86 -5.06 119.74 112.88 1inj s LYS 148 Ca 0.00 -1.09 -0.04 0.00 -1.00 0.00 0.00 55.97 53.84 1inj s LYS 148 Cb 0.00 0.46 -0.08 0.00 -2.06 0.00 0.00 37.83 36.15 1inj s LYS 148 CO 0.00 -0.55 3.07 0.09 0.10 0.00 0.00 175.35 178.07 1inj n ASN 149 N -0.31 5.89 -4.38 0.03 5.03 -1.26 -3.87 115.26 116.39 1inj n ASN 149 Ca -0.06 -2.85 -0.31 0.00 0.87 0.00 0.00 54.58 52.22 1inj n ASN 149 Cb 0.62 -1.30 -0.15 0.00 -1.02 0.00 0.00 39.78 37.94 1inj n ASN 149 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1inj s ALA 150 N -0.47 2.36 -0.16 5.41 0.00 -1.26 -5.00 121.76 122.64 1inj s ALA 150 Ca 0.59 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.14 1inj s ALA 150 Cb 0.33 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 1inj s ALA 150 CO -0.11 0.54 1.29 0.42 0.00 0.00 0.00 175.76 177.91 1inj s ILE 151 N -0.71 4.23 -0.13 0.00 1.01 -1.26 0.15 121.20 124.49 1inj s ILE 151 Ca 0.11 1.48 -0.29 0.00 0.00 0.00 0.00 60.65 61.96 1inj s ILE 151 Cb -0.10 -3.96 -0.26 0.00 0.01 0.00 0.00 42.46 38.16 1inj s ILE 151 CO 0.01 -0.13 0.82 0.00 0.00 0.00 0.00 174.94 175.64 1inj h ALA 152 N 8.30 -0.00 -2.04 9.38 0.00 -0.69 -3.44 119.26 130.78 1inj h ALA 152 Ca -0.27 -0.48 0.25 0.00 0.00 0.00 0.00 54.91 54.40 1inj h ALA 152 Cb 1.11 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 1inj h ALA 152 CO 0.97 -0.02 0.67 -3.38 0.00 0.00 0.00 179.25 177.49 1inj s HIS 153 N -2.44 -0.04 -0.04 0.00 0.00 -1.13 -5.02 115.29 106.62 1inj s HIS 153 Ca -0.19 -0.19 -0.18 0.00 -3.00 0.00 0.00 55.06 51.51 1inj s HIS 153 Cb -0.02 0.61 -0.05 0.00 -4.00 0.00 0.00 32.58 29.12 1inj s HIS 153 CO 0.69 -0.59 0.49 0.99 -1.00 0.00 0.00 174.74 175.31 1inj s THR 154 N -2.62 5.04 -0.24 -5.38 2.01 -1.26 -0.87 115.64 112.31 1inj s THR 154 Ca 0.17 1.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.99 1inj s THR 154 Cb 0.01 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1inj s THR 154 CO 0.00 0.45 0.47 -0.69 -0.69 0.00 0.00 174.62 174.16 1inj s VAL 155 N -0.24 5.12 -0.17 3.82 1.01 0.06 -4.89 120.40 125.10 1inj s VAL 155 Ca 0.26 0.82 -0.35 0.00 0.00 0.00 0.00 61.98 62.72 1inj s VAL 155 Cb -0.17 -3.79 -0.11 0.00 0.00 0.00 0.00 36.38 32.30 1inj s VAL 155 CO 0.13 0.15 1.96 -0.67 0.00 0.00 0.00 175.10 176.67 1inj n ASP 156 N 5.14 3.06 -0.02 3.32 -0.08 -1.26 -4.15 116.55 122.56 1inj n ASP 156 Ca -0.06 0.81 0.14 0.00 -1.51 0.00 0.00 54.79 54.17 1inj n ASP 156 Cb 0.50 -1.34 0.65 0.00 2.34 0.00 0.00 41.12 43.27 1inj n ASP 156 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1inj n ARG 157 N 7.01 0.32 -2.27 -0.67 1.85 -1.26 -4.65 116.66 116.99 1inj n ARG 157 Ca 0.27 -0.05 -0.43 0.00 -1.00 0.00 0.00 57.85 56.65 1inj n ARG 157 Cb 0.28 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.16 1inj n ARG 157 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1inj s ASN 158 N -2.71 6.82 0.00 2.89 2.47 -1.26 -1.97 114.94 121.17 1inj s ASN 158 Ca 0.23 1.86 0.00 0.00 0.42 0.00 0.00 52.86 55.37 1inj s ASN 158 Cb 0.20 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 1inj s ASN 158 CO 0.50 -0.85 0.00 0.61 -3.72 0.00 0.00 177.10 173.64 1inj n GLY 159 N 3.86 0.65 3.68 1.21 0.00 -1.26 -5.04 105.19 108.28 1inj n GLY 159 Ca 0.15 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1inj n GLY 159 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1inj s LEU 160 N 0.00 3.88 0.07 0.99 2.96 -0.83 -5.08 118.68 120.66 1inj s LEU 160 Ca 0.00 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.10 1inj s LEU 160 Cb 0.00 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1inj s LEU 160 CO 0.00 0.23 -0.13 0.26 -1.32 0.00 0.00 176.35 175.39 1inj s TRP 161 N 0.02 1.12 -0.25 5.38 0.52 -1.26 -1.68 118.94 122.80 1inj s TRP 161 Ca 0.06 -0.48 -0.22 0.00 0.02 0.00 0.00 56.10 55.48 1inj s TRP 161 Cb -0.12 -0.63 -0.02 0.00 -1.15 0.00 0.00 33.47 31.55 1inj s TRP 161 CO 0.01 0.03 0.69 -1.01 0.02 0.00 0.00 176.95 176.69 1inj s HIS 162 N -1.41 3.29 0.09 -1.98 3.76 0.13 -4.90 115.29 114.27 1inj s HIS 162 Ca -0.02 0.92 -0.30 0.00 -0.15 0.00 0.00 55.06 55.50 1inj s HIS 162 Cb -0.09 -2.90 -0.06 0.00 1.11 0.00 0.00 32.58 30.64 1inj s HIS 162 CO 0.02 -0.34 1.15 0.00 -0.85 0.00 0.00 174.74 174.71 1inj s ALA 163 N 2.58 3.36 0.00 -1.40 0.00 -1.26 -1.46 121.76 123.59 1inj s ALA 163 Ca 0.29 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1inj s ALA 163 Cb -0.15 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1inj s ALA 163 CO 0.08 -0.35 0.00 1.28 0.00 0.00 0.00 175.76 176.77 1inj n LEU 164 N 3.46 0.00 -4.09 0.00 4.77 0.63 -4.95 117.00 116.82 1inj n LEU 164 Ca 0.07 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.97 1inj n LEU 164 Cb 0.47 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 1inj n LEU 164 CO 0.55 0.00 -0.34 0.42 -1.33 0.00 0.00 177.39 176.69 1inj s THR 165 N -0.72 0.20 0.95 -5.08 -4.23 -1.26 -4.37 115.64 101.13 1inj s THR 165 Ca 0.00 -1.80 -0.10 0.00 -1.18 0.00 0.00 61.69 58.61 1inj s THR 165 Cb 0.00 -1.60 0.17 0.00 1.34 0.00 0.00 72.50 72.40 1inj s THR 165 CO 0.00 -0.89 1.13 -2.84 -0.54 0.00 0.00 174.62 171.48 1inj s PRO 166 N -3.94 0.71 -0.12 3.99 0.02 -1.26 -4.84 135.00 129.56 1inj s PRO 166 Ca 0.10 1.47 0.01 0.00 0.02 0.00 0.00 61.00 62.60 1inj s PRO 166 Cb 0.08 -1.70 0.02 0.00 0.02 0.00 0.00 34.50 32.92 1inj s PRO 166 CO -0.08 -2.82 -0.14 -0.65 -0.33 0.00 0.00 177.00 172.98 1inj s GLN 167 N -4.61 2.18 -0.26 5.54 -0.21 -0.25 -2.35 119.66 119.69 1inj s GLN 167 Ca 0.67 -0.53 -0.03 0.00 0.02 0.00 0.00 55.36 55.49 1inj s GLN 167 Cb -0.23 -1.91 0.02 0.00 1.00 0.00 0.00 33.01 31.89 1inj s GLN 167 CO 0.59 -0.12 -0.03 0.12 -2.12 0.00 0.00 175.29 173.72 1inj s PHE 168 N 1.16 3.08 0.11 0.91 5.36 0.23 -0.52 117.98 128.31 1inj s PHE 168 Ca -0.03 -1.45 -0.04 0.00 -0.96 0.00 0.00 56.93 54.45 1inj s PHE 168 Cb -0.14 -2.09 -0.03 0.00 -0.34 0.00 0.00 43.02 40.42 1inj s PHE 168 CO -0.04 -0.70 0.10 -0.06 -1.46 0.00 0.00 175.22 173.06 1inj s PHE 169 N 1.36 0.56 0.29 10.12 0.40 -0.65 -0.92 117.98 129.13 1inj s PHE 169 Ca 0.00 -0.99 -0.30 0.00 -0.60 0.00 0.00 56.93 55.05 1inj s PHE 169 Cb -0.17 -0.30 -0.11 0.00 0.51 0.00 0.00 43.02 42.95 1inj s PHE 169 CO -0.03 -0.53 1.52 -2.14 0.70 0.00 0.00 175.22 174.74 1inj s PRO 170 N -3.97 4.18 0.11 0.24 0.02 -1.26 -0.85 135.00 133.48 1inj s PRO 170 Ca 0.15 2.47 -0.31 0.00 0.02 0.00 0.00 61.00 63.32 1inj s PRO 170 Cb 0.06 -3.05 -0.10 0.00 0.02 0.00 0.00 34.50 31.43 1inj s PRO 170 CO -0.04 -0.53 1.58 -0.09 -0.33 0.00 0.00 177.00 177.59 1inj h ARG 171 N 4.67 -0.63 -0.49 5.54 1.12 -1.43 -1.37 114.38 121.80 1inj h ARG 171 Ca -0.47 0.04 -0.08 0.00 -1.11 0.00 0.00 59.98 58.37 1inj h ARG 171 Cb 1.22 0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 31.30 1inj h ARG 171 CO 0.77 -0.42 -0.00 0.93 -3.11 0.00 0.00 179.97 178.14 1inj h GLU 172 N -0.65 0.82 -0.62 0.20 5.08 -1.87 -1.24 114.58 116.31 1inj h GLU 172 Ca 0.02 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1inj h GLU 172 Cb 0.69 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1inj h GLU 172 CO -0.26 0.83 0.33 1.25 -1.00 0.00 0.00 179.01 180.15 1inj h LEU 173 N 0.77 0.79 -0.50 1.33 5.85 -1.90 0.49 115.31 122.13 1inj h LEU 173 Ca 0.15 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1inj h LEU 173 Cb 0.46 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1inj h LEU 173 CO 0.02 0.67 0.25 0.25 -0.34 0.00 0.00 178.44 179.29 1inj h LEU 174 N 0.85 0.65 -0.09 2.25 5.85 -0.91 -0.67 115.31 123.24 1inj h LEU 174 Ca 0.22 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1inj h LEU 174 Cb 0.07 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1inj h LEU 174 CO -0.03 0.59 -0.05 -0.74 -0.34 0.00 0.00 178.44 177.87 1inj h HIS 175 N 0.67 -0.11 -0.61 1.25 2.76 -0.64 -1.74 115.15 116.72 1inj h HIS 175 Ca 0.17 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.29 1inj h HIS 175 Cb 0.11 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 1inj h HIS 175 CO -0.01 -0.08 0.13 -0.44 -1.30 0.00 0.00 177.93 176.23 1inj h ASP 176 N -0.04 0.94 -0.50 3.26 3.32 -0.68 -1.03 116.42 121.69 1inj h ASP 176 Ca 0.05 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.80 1inj h ASP 176 Cb 0.12 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1inj h ASP 176 CO -0.12 0.95 0.07 0.00 -1.72 0.00 0.00 179.24 178.42 1inj h LEU 178 N 0.70 0.00 -0.29 0.00 3.38 -1.28 -0.81 115.31 117.02 1inj h LEU 178 Ca 0.15 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 1inj h LEU 178 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1inj h LEU 178 CO 0.01 0.68 -0.16 0.74 0.09 0.00 0.00 178.44 179.80 1inj h THR 179 N 0.00 1.30 -0.20 0.22 2.02 -0.95 -2.48 112.91 112.82 1inj h THR 179 Ca -0.01 -1.27 -0.12 0.00 0.77 0.00 0.00 66.41 65.78 1inj h THR 179 Cb 1.26 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1inj h THR 179 CO 0.09 0.40 -0.35 -0.09 0.37 0.00 0.00 175.52 175.94 1inj h ARG 180 N 0.36 0.59 -0.85 6.66 2.43 -1.04 -2.44 114.38 120.09 1inj h ARG 180 Ca 0.06 -0.37 0.08 0.00 -0.81 0.00 0.00 59.98 58.95 1inj h ARG 180 Cb 0.69 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.21 1inj h ARG 180 CO 0.05 0.98 0.51 0.00 -1.51 0.00 0.00 179.97 179.99 1inj h ALA 181 N 0.61 1.20 -0.24 2.80 0.00 -1.16 -1.45 119.26 121.02 1inj h ALA 181 Ca 0.01 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1inj h ALA 181 Cb 0.94 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1inj h ALA 181 CO 0.08 0.19 -0.31 -0.07 0.00 0.00 0.00 179.25 179.14 1inj h LEU 182 N 0.89 0.68 -1.37 0.00 3.38 -1.44 0.03 115.31 117.49 1inj h LEU 182 Ca 0.39 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1inj h LEU 182 Cb 0.28 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1inj h LEU 182 CO -0.21 1.05 0.31 -1.13 0.09 0.00 0.00 178.44 178.55 1inj h ASN 183 N 0.33 0.65 -0.40 -0.43 -0.00 -0.99 -1.49 115.58 113.26 1inj h ASN 183 Ca 0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.29 1inj h ASN 183 Cb 0.89 -0.17 0.00 0.00 -0.00 0.00 0.00 38.32 39.04 1inj h ASN 183 CO 0.07 0.52 0.00 -0.62 -0.00 0.00 0.00 177.43 177.40 1inj n GLU 184 N -4.41 2.12 -3.76 6.67 1.02 -0.59 -4.94 120.64 116.76 1inj n GLU 184 Ca 0.05 -1.51 -0.25 0.00 -0.02 0.00 0.00 57.16 55.43 1inj n GLU 184 Cb 0.09 -1.41 0.04 0.00 -0.02 0.00 0.00 31.44 30.14 1inj n GLU 184 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1inj n GLY 185 N 1.03 -0.39 3.86 0.62 0.00 -0.56 -4.97 105.19 104.78 1inj n GLY 185 Ca 0.14 0.16 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 1inj n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1inj s ALA 186 N -3.49 3.28 -0.58 4.61 0.00 -0.02 -5.00 121.76 120.55 1inj s ALA 186 Ca 0.30 -0.06 -0.28 0.00 0.00 0.00 0.00 51.96 51.92 1inj s ALA 186 Cb -0.15 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.18 1inj s ALA 186 CO 0.81 0.01 1.33 0.99 0.00 0.00 0.00 175.76 178.90 1inj s THR 187 N -2.35 3.85 -0.14 0.00 2.01 -1.26 -4.82 115.64 112.93 1inj s THR 187 Ca 0.54 0.72 -0.05 0.00 0.31 0.00 0.00 61.69 63.21 1inj s THR 187 Cb -0.10 -4.57 -0.03 0.00 0.01 0.00 0.00 72.50 67.80 1inj s THR 187 CO 0.28 -1.29 0.01 -0.63 -0.69 0.00 0.00 174.62 172.31 1inj s ILE 188 N 5.70 4.37 0.00 1.82 1.01 -1.26 -4.97 121.20 127.87 1inj s ILE 188 Ca 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.93 1inj s ILE 188 Cb -0.09 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.46 1inj s ILE 188 CO 0.24 0.52 0.00 0.35 0.00 0.00 0.00 174.94 176.05 1inj n THR 189 N 3.11 0.00 -3.27 2.92 -2.24 -1.26 -5.06 114.28 108.48 1inj n THR 189 Ca -0.17 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.39 1inj n THR 189 Cb 0.53 -0.61 0.05 0.00 -2.10 0.00 0.00 70.33 68.20 1inj n THR 189 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1inj s ASP 190 N 0.08 4.91 0.29 3.42 -4.77 -1.26 -4.95 116.67 114.39 1inj s ASP 190 Ca 0.00 -1.01 -0.00 0.00 -3.30 0.00 0.00 52.55 48.24 1inj s ASP 190 Cb 0.00 0.47 0.44 0.00 -1.09 0.00 0.00 42.92 42.74 1inj s ASP 190 CO 0.00 -1.36 1.84 -0.33 0.70 0.00 0.00 175.17 176.02 1inj h GLU 191 N 0.26 0.78 -0.71 2.11 3.07 -1.98 -2.58 114.58 115.54 1inj h GLU 191 Ca -0.30 -0.15 0.04 0.00 -0.50 0.00 0.00 59.36 58.45 1inj h GLU 191 Cb 1.29 -0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 29.03 1inj h GLU 191 CO 0.44 0.71 0.43 0.00 -1.40 0.00 0.00 179.01 179.19 1inj h ALA 192 N 1.38 0.94 -0.02 3.43 0.00 -1.97 -0.86 119.26 122.16 1inj h ALA 192 Ca 0.17 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1inj h ALA 192 Cb 0.28 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1inj h ALA 192 CO -0.00 0.16 0.05 0.66 0.00 0.00 0.00 179.25 180.12 1inj h SER 193 N 0.81 0.00 0.05 0.00 4.64 -1.84 0.30 113.55 117.51 1inj h SER 193 Ca 0.30 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.36 1inj h SER 193 Cb 0.10 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1inj h SER 193 CO -0.14 0.00 -1.03 0.00 -0.87 0.00 0.00 176.83 174.79 1inj h ALA 194 N 1.91 0.17 -0.47 5.18 0.00 -1.18 -2.06 119.26 122.80 1inj h ALA 194 Ca 0.01 -0.70 -0.09 0.00 0.00 0.00 0.00 54.91 54.13 1inj h ALA 194 Cb 0.12 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1inj h ALA 194 CO -0.00 0.71 -0.06 -0.07 0.00 0.00 0.00 179.25 179.83 1inj h LEU 195 N 0.37 0.87 -0.70 0.00 -0.00 -0.88 -2.98 115.31 111.99 1inj h LEU 195 Ca -0.12 -0.34 0.02 0.00 -0.00 0.00 0.00 57.88 57.45 1inj h LEU 195 Cb 1.68 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 42.06 1inj h LEU 195 CO 0.20 1.00 0.44 -0.33 -0.00 0.00 0.00 178.44 179.75 1inj h GLU 196 N 0.72 0.85 -0.27 1.13 5.08 -1.10 -0.54 114.58 120.44 1inj h GLU 196 Ca 0.13 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1inj h GLU 196 Cb 0.59 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1inj h GLU 196 CO 0.04 0.56 0.18 -0.92 -1.00 0.00 0.00 179.01 177.87 1inj h TYR 197 N 0.88 0.30 -0.39 4.33 3.20 -1.23 -1.51 116.97 122.55 1inj h TYR 197 Ca 0.28 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1inj h TYR 197 Cb -0.01 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1inj h TYR 197 CO -0.04 0.18 0.00 0.00 -1.64 0.00 0.00 178.16 176.67 1inj n GLY 199 N 0.82 0.76 3.94 0.00 0.00 -0.57 -5.07 105.19 105.07 1inj n GLY 199 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1inj n GLY 199 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1inj s PHE 200 N -2.25 3.50 -0.48 1.61 0.40 -0.29 -4.99 117.98 115.49 1inj s PHE 200 Ca 0.00 0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.70 1inj s PHE 200 Cb 0.00 -1.88 0.16 0.00 0.51 0.00 0.00 43.02 41.81 1inj s PHE 200 CO 0.00 0.16 0.33 -1.01 0.70 0.00 0.00 175.22 175.40 1inj s HIS 201 N -2.27 1.82 0.67 0.36 3.76 -1.26 -3.68 115.29 114.69 1inj s HIS 201 Ca 0.40 -2.49 -0.17 0.00 -0.15 0.00 0.00 55.06 52.65 1inj s HIS 201 Cb -0.10 -1.56 -0.01 0.00 1.11 0.00 0.00 32.58 32.03 1inj s HIS 201 CO 0.35 -0.75 1.13 -2.30 -0.85 0.00 0.00 174.74 172.31 1inj n PRO 202 N 2.98 0.83 -2.50 8.40 -0.02 -1.26 -4.98 135.00 138.45 1inj n PRO 202 Ca 0.20 0.34 -0.33 0.00 -2.02 0.00 0.00 63.50 61.69 1inj n PRO 202 Cb 0.40 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 1inj n PRO 202 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1inj s GLN 203 N -3.29 3.83 -0.27 -0.52 -1.52 -0.28 -4.89 119.66 112.73 1inj s GLN 203 Ca 0.78 1.22 -0.08 0.00 -1.95 0.00 0.00 55.36 55.33 1inj s GLN 203 Cb -0.37 -2.11 -0.02 0.00 -0.22 0.00 0.00 33.01 30.29 1inj s GLN 203 CO 0.45 -0.38 0.10 -0.51 -0.25 0.00 0.00 175.29 174.70 1inj s LEU 204 N -3.69 3.72 -0.28 2.90 1.43 -1.26 -1.01 118.68 120.49 1inj s LEU 204 Ca 0.64 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 53.34 1inj s LEU 204 Cb -0.14 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.15 1inj s LEU 204 CO 0.23 -0.10 0.04 -0.69 0.23 0.00 0.00 176.35 176.06 1inj s VAL 205 N 1.61 3.60 0.21 -1.59 1.01 -0.04 -4.96 120.40 120.23 1inj s VAL 205 Ca 0.05 -0.85 -0.32 0.00 0.00 0.00 0.00 61.98 60.87 1inj s VAL 205 Cb -0.16 -2.87 -0.12 0.00 0.00 0.00 0.00 36.38 33.23 1inj s VAL 205 CO 0.05 0.09 1.69 -0.70 0.00 0.00 0.00 175.10 176.22 1inj s GLU 206 N 1.43 4.13 0.30 2.72 2.12 -1.26 -1.53 118.70 126.62 1inj s GLU 206 Ca 0.01 2.58 0.03 0.00 0.36 0.00 0.00 54.97 57.95 1inj s GLU 206 Cb -0.17 -3.08 -0.06 0.00 0.26 0.00 0.00 34.13 31.08 1inj s GLU 206 CO 0.00 -0.72 0.07 0.20 -0.54 0.00 0.00 175.26 174.28 1inj s GLY 207 N 1.08 1.98 0.35 -1.50 0.00 0.54 -4.82 107.32 104.95 1inj s GLY 207 Ca 0.73 -1.98 -0.28 0.00 0.00 0.00 0.00 44.72 43.19 1inj s GLY 207 CO 0.34 -1.74 1.34 0.50 0.00 0.00 0.00 173.10 173.53 1inj s ARG 208 N -3.93 4.25 0.22 2.90 0.52 -1.26 -4.46 118.95 117.18 1inj s ARG 208 Ca 0.37 2.26 0.24 0.00 -0.52 0.00 0.00 55.73 58.08 1inj s ARG 208 Cb 0.08 -3.00 0.92 0.00 0.52 0.00 0.00 34.95 33.47 1inj s ARG 208 CO 0.15 -0.30 1.72 0.00 0.02 0.00 0.00 175.30 176.90 1inj n ALA 209 N 0.63 1.88 1.87 2.13 0.00 -1.26 -2.75 120.51 123.00 1inj n ALA 209 Ca 0.01 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1inj n ALA 209 Cb 0.42 -1.41 0.71 0.00 0.00 0.00 0.00 19.45 19.17 1inj n ALA 209 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1inj n ASP 210 N -2.17 0.00 -4.01 0.00 5.75 -1.26 -4.32 116.55 110.55 1inj n ASP 210 Ca 0.03 -1.12 -0.43 0.00 -0.01 0.00 0.00 54.79 53.26 1inj n ASP 210 Cb 0.29 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1inj n ASP 210 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1inj n ASN 211 N -0.90 4.65 -4.94 -1.12 5.15 -1.11 -4.77 115.26 112.22 1inj n ASN 211 Ca 0.18 -2.97 -0.24 0.00 -0.60 0.00 0.00 54.58 50.95 1inj n ASN 211 Cb 0.08 -1.60 -0.01 0.00 -0.53 0.00 0.00 39.78 37.73 1inj n ASN 211 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1inj s ILE 212 N 2.13 4.87 -0.21 -1.44 -4.36 -1.26 -4.91 121.20 116.02 1inj s ILE 212 Ca 0.45 -0.39 -0.06 0.00 -0.26 0.00 0.00 60.65 60.39 1inj s ILE 212 Cb 0.09 -3.79 -0.03 0.00 1.25 0.00 0.00 42.46 39.98 1inj s ILE 212 CO -0.02 -0.55 0.04 -0.75 0.24 0.00 0.00 174.94 173.90 1inj s LYS 213 N -4.41 3.71 -0.48 0.37 2.20 -1.26 -4.37 119.74 115.50 1inj s LYS 213 Ca 0.42 -0.47 -0.28 0.00 -0.36 0.00 0.00 55.97 55.28 1inj s LYS 213 Cb -0.10 -3.20 0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1inj s LYS 213 CO 0.37 -0.01 1.38 0.08 -0.36 0.00 0.00 175.35 176.82 1inj s VAL 214 N 1.09 3.90 0.00 4.02 1.01 0.24 -4.74 120.40 125.93 1inj s VAL 214 Ca 0.03 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1inj s VAL 214 Cb -0.14 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1inj s VAL 214 CO 0.02 -0.95 0.00 0.41 0.00 0.00 0.00 175.10 174.58 1inj n THR 215 N 6.97 0.00 -4.16 3.92 -1.04 -1.26 -4.83 114.28 113.88 1inj n THR 215 Ca 0.14 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.92 1inj n THR 215 Cb 0.49 -0.52 -0.05 0.00 -1.82 0.00 0.00 70.33 68.43 1inj n THR 215 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1inj s ARG 216 N -1.79 2.73 0.26 -2.82 3.00 -1.26 -5.02 118.95 114.04 1inj s ARG 216 Ca 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 55.73 54.57 1inj s ARG 216 Cb 0.00 -2.46 0.51 0.00 0.00 0.00 0.00 34.95 33.00 1inj s ARG 216 CO 0.00 0.41 1.64 -1.35 0.00 0.00 0.00 175.30 176.00 1inj h PRO 217 N 1.83 0.15 0.00 3.54 0.11 -2.02 0.24 132.00 135.85 1inj h PRO 217 Ca -0.47 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1inj h PRO 217 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1inj h PRO 217 CO 0.61 0.10 -0.18 1.05 -0.21 0.00 0.00 178.00 179.36 1inj h GLU 218 N 0.15 0.00 -0.18 1.05 9.09 -2.03 -2.95 114.58 119.71 1inj h GLU 218 Ca 0.45 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.88 1inj h GLU 218 Cb 0.82 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.91 1inj h GLU 218 CO -0.64 0.18 0.12 -0.44 0.05 0.00 0.00 179.01 178.28 1inj h ASP 219 N 0.00 0.15 0.12 3.06 3.32 -1.33 -2.81 116.42 118.93 1inj h ASP 219 Ca -0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1inj h ASP 219 Cb 0.43 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1inj h ASP 219 CO 0.02 0.10 -0.06 0.25 -1.72 0.00 0.00 179.24 177.84 1inj h LEU 220 N 0.17 -0.13 -1.07 1.55 5.85 -1.61 0.75 115.31 120.82 1inj h LEU 220 Ca 0.07 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1inj h LEU 220 Cb 0.08 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1inj h LEU 220 CO -0.01 -0.03 0.63 0.00 -0.34 0.00 0.00 178.44 178.69 1inj h ALA 221 N 0.65 1.32 -0.43 1.25 0.00 -1.69 -1.44 119.26 118.93 1inj h ALA 221 Ca -0.02 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1inj h ALA 221 Cb 0.18 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1inj h ALA 221 CO 0.03 0.63 -0.13 1.25 0.00 0.00 0.00 179.25 181.02 1inj h LEU 222 N 1.29 0.87 -0.66 0.00 5.85 -1.26 -2.03 115.31 119.37 1inj h LEU 222 Ca 0.35 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1inj h LEU 222 Cb -0.14 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.62 1inj h LEU 222 CO -0.08 1.04 0.43 0.00 -0.34 0.00 0.00 178.44 179.50 1inj h ALA 223 N 0.85 0.83 -0.81 1.25 0.00 -0.36 -0.85 119.26 120.18 1inj h ALA 223 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1inj h ALA 223 Cb 0.68 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1inj h ALA 223 CO 0.05 0.26 0.46 1.49 0.00 0.00 0.00 179.25 181.52 1inj h GLU 224 N 0.89 1.10 -0.19 0.00 4.81 -1.13 0.99 114.58 121.06 1inj h GLU 224 Ca 0.24 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1inj h GLU 224 Cb -0.10 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.05 1inj h GLU 224 CO -0.05 0.79 0.10 0.35 -0.73 0.00 0.00 179.01 179.47 1inj h PHE 225 N 1.12 0.26 -0.39 0.92 3.57 -0.57 0.21 116.94 122.06 1inj h PHE 225 Ca 0.29 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 1inj h PHE 225 Cb -0.01 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1inj h PHE 225 CO 0.01 0.24 0.09 1.88 -2.23 0.00 0.00 178.31 178.30 1inj h TYR 226 N 0.20 0.65 0.34 0.41 0.99 -0.67 -3.23 116.97 115.66 1inj h TYR 226 Ca 0.07 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 1inj h TYR 226 Cb 0.07 -0.18 0.00 0.00 1.00 0.00 0.00 36.73 37.62 1inj h TYR 226 CO -0.04 0.63 -0.16 1.25 -0.00 0.00 0.00 178.16 179.84 1inj h LEU 227 N 0.48 -0.38 -0.36 3.88 5.85 -0.71 -3.52 115.31 120.55 1inj h LEU 227 Ca 0.12 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1inj h LEU 227 Cb 0.31 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1inj h LEU 227 CO 0.00 -0.06 0.00 0.41 -0.34 0.00 0.00 178.44 178.45