#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mss s LYS 3 N 0.00 4.21 1.05 4.33 1.02 -1.26 -4.98 119.74 124.10 1mss s LYS 3 Ca 0.00 1.92 -0.17 0.00 0.02 0.00 0.00 55.97 57.73 1mss s LYS 3 Cb 0.00 -2.84 0.27 0.00 -0.52 0.00 0.00 37.83 34.74 1mss s LYS 3 CO 0.00 -0.21 0.72 -2.30 -0.92 0.00 0.00 175.35 172.64 1mss n PRO 4 N 0.40 -3.61 -2.17 -1.68 -0.01 -1.26 -4.88 135.00 121.78 1mss n PRO 4 Ca 0.03 -1.19 -0.42 0.00 -0.01 0.00 0.00 63.50 61.91 1mss n PRO 4 Cb 0.45 -1.36 -0.03 0.00 -0.01 0.00 0.00 33.50 32.55 1mss n PRO 4 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 175.50 174.35 1mss s GLN 5 N -4.69 4.26 1.06 -0.52 0.74 -1.26 -4.98 119.66 114.27 1mss s GLN 5 Ca 0.52 2.03 -0.12 0.00 0.05 0.00 0.00 55.36 57.84 1mss s GLN 5 Cb -0.08 -3.60 0.23 0.00 1.10 0.00 0.00 33.01 30.66 1mss s GLN 5 CO 0.42 -0.62 1.07 -2.14 -0.55 0.00 0.00 175.29 173.48 1mss s PRO 6 N 2.55 -0.12 -0.11 1.67 0.01 -1.26 -4.88 135.00 132.85 1mss s PRO 6 Ca 0.66 1.12 -0.04 0.00 0.01 0.00 0.00 61.00 62.74 1mss s PRO 6 Cb -0.33 -1.63 0.06 0.00 0.01 0.00 0.00 34.50 32.62 1mss s PRO 6 CO 0.27 -3.27 0.23 0.42 0.01 0.00 0.00 177.00 174.66 1mss s ILE 7 N -2.54 -0.33 -0.39 2.83 1.01 -0.98 -2.18 121.20 118.61 1mss s ILE 7 Ca 0.68 0.29 -0.02 0.00 0.00 0.00 0.00 60.65 61.59 1mss s ILE 7 Cb -0.24 -0.39 0.10 0.00 0.01 0.00 0.00 42.46 41.95 1mss s ILE 7 CO 0.62 0.12 0.17 0.00 0.00 0.00 0.00 174.94 175.85 1mss s ALA 8 N 2.24 3.10 -0.06 9.38 0.00 -0.55 -1.14 121.76 134.74 1mss s ALA 8 Ca 0.00 -2.48 0.02 0.00 0.00 0.00 0.00 51.96 49.50 1mss s ALA 8 Cb -0.12 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 1mss s ALA 8 CO -0.08 -1.75 -0.10 0.00 0.00 0.00 0.00 175.76 173.83 1mss s ALA 9 N 1.12 2.84 -0.26 0.00 0.00 -0.50 -1.11 121.76 123.85 1mss s ALA 9 Ca 0.08 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 1mss s ALA 9 Cb -0.22 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 1mss s ALA 9 CO -0.04 0.56 0.06 0.00 0.00 0.00 0.00 175.76 176.33 1mss s ALA 10 N -0.74 3.10 -0.80 0.00 0.00 0.10 -1.27 121.76 122.15 1mss s ALA 10 Ca 0.11 -1.20 -0.15 0.00 0.00 0.00 0.00 51.96 50.72 1mss s ALA 10 Cb -0.11 -2.05 0.19 0.00 0.00 0.00 0.00 23.12 21.15 1mss s ALA 10 CO 0.01 -0.58 0.79 1.21 0.00 0.00 0.00 175.76 177.20 1mss s ASN 11 N 1.58 6.66 0.15 0.00 2.47 0.17 -0.09 114.94 125.87 1mss s ASN 11 Ca 0.06 -2.45 -0.19 0.00 0.42 0.00 0.00 52.86 50.70 1mss s ASN 11 Cb -0.15 -2.24 -0.07 0.00 -1.45 0.00 0.00 41.25 37.33 1mss s ASN 11 CO 0.03 -0.70 0.63 0.86 -3.72 0.00 0.00 177.10 174.20 1mss s TRP 12 N 0.79 3.72 0.28 0.43 -0.00 -0.66 -4.33 118.94 119.16 1mss s TRP 12 Ca 0.18 1.29 0.02 0.00 -0.00 0.00 0.00 56.10 57.59 1mss s TRP 12 Cb -0.12 -2.53 -0.05 0.00 -0.00 0.00 0.00 33.47 30.78 1mss s TRP 12 CO -0.07 0.46 0.12 0.15 -0.00 0.00 0.00 176.95 177.61 1mss s LYS 13 N -1.60 1.48 0.02 5.86 1.02 -1.26 -3.85 119.74 121.41 1mss s LYS 13 Ca 0.36 -1.82 -0.06 0.00 0.02 0.00 0.00 55.97 54.48 1mss s LYS 13 Cb -0.18 -0.21 -0.02 0.00 -0.52 0.00 0.00 37.83 36.90 1mss s LYS 13 CO 0.20 -0.35 1.09 0.00 -0.92 0.00 0.00 175.35 175.38 1mss n ASN 15 N -3.11 0.00 -4.10 0.00 0.23 -1.26 -4.36 115.26 102.66 1mss n ASN 15 Ca -0.01 -0.78 -0.24 0.00 -0.53 0.00 0.00 54.58 53.02 1mss n ASN 15 Cb 0.06 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.61 1mss n ASN 15 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1mss s GLY 16 N 1.77 0.79 0.68 4.83 0.00 -1.11 -5.14 107.32 109.13 1mss s GLY 16 Ca 0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 44.72 44.00 1mss s GLY 16 CO 0.00 -0.35 1.05 -1.35 0.00 0.00 0.00 173.10 172.45 1mss s SER 17 N -0.04 5.54 0.25 1.64 1.04 -1.26 -4.90 113.70 115.96 1mss s SER 17 Ca -0.01 1.61 -0.02 0.00 0.48 0.00 0.00 55.95 58.01 1mss s SER 17 Cb -0.09 -2.50 0.31 0.00 0.10 0.00 0.00 66.02 63.84 1mss s SER 17 CO 0.01 -1.34 1.73 -0.61 0.98 0.00 0.00 173.24 174.01 1mss h GLN 18 N -0.56 0.76 -0.46 4.02 4.15 -1.98 -0.20 115.11 120.84 1mss h GLN 18 Ca -0.44 -0.23 -0.07 0.00 0.77 0.00 0.00 58.65 58.67 1mss h GLN 18 Cb 1.21 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.81 1mss h GLN 18 CO 0.58 0.82 0.00 1.96 -1.93 0.00 0.00 178.83 180.25 1mss h GLN 19 N 0.70 0.81 -0.49 1.69 7.50 -1.98 0.21 115.11 123.55 1mss h GLN 19 Ca 0.13 -0.26 -0.00 0.00 0.50 0.00 0.00 58.65 59.02 1mss h GLN 19 Cb 0.53 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 27.96 1mss h GLN 19 CO 0.03 0.86 0.30 0.77 -1.50 0.00 0.00 178.83 179.29 1mss h SER 20 N 0.66 0.59 -0.71 1.46 0.02 -1.85 0.26 113.55 113.98 1mss h SER 20 Ca 0.13 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1mss h SER 20 Cb 0.50 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1mss h SER 20 CO 0.02 0.47 0.26 0.25 -1.14 0.00 0.00 176.83 176.69 1mss h LEU 21 N 0.65 1.02 0.76 5.07 6.46 -0.89 -2.65 115.31 125.74 1mss h LEU 21 Ca 0.18 -0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1mss h LEU 21 Cb -0.02 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 39.65 1mss h LEU 21 CO -0.03 0.92 -0.46 -1.28 -0.62 0.00 0.00 178.44 176.97 1mss h SER 22 N 1.07 -1.14 -0.76 1.25 0.87 0.56 -2.34 113.55 113.05 1mss h SER 22 Ca 0.24 0.06 0.17 0.00 -1.23 0.00 0.00 61.79 61.03 1mss h SER 22 Cb 0.24 0.33 -0.11 0.00 -0.44 0.00 0.00 62.40 62.42 1mss h SER 22 CO -0.02 -0.71 0.21 -0.33 -0.53 0.00 0.00 176.83 175.46 1mss h GLU 23 N -1.14 0.29 -0.16 2.24 5.08 -0.50 -1.79 114.58 118.59 1mss h GLU 23 Ca -0.10 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1mss h GLU 23 Cb 0.91 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1mss h GLU 23 CO 0.11 0.19 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.22 1mss h LEU 24 N 0.29 -0.12 -0.85 1.33 3.38 -1.32 -1.92 115.31 116.10 1mss h LEU 24 Ca 0.44 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.52 1mss h LEU 24 Cb 0.75 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 1mss h LEU 24 CO -0.51 -0.04 0.52 0.40 0.09 0.00 0.00 178.44 178.90 1mss h ILE 25 N 0.02 1.02 -0.82 1.22 2.04 -0.78 -0.46 117.51 119.76 1mss h ILE 25 Ca 0.08 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1mss h ILE 25 Cb 0.11 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.15 1mss h ILE 25 CO -0.15 0.17 0.45 0.44 0.00 0.00 0.00 178.15 179.06 1mss h ASP 26 N 0.93 1.02 0.13 1.72 3.32 -1.10 -0.53 116.42 121.91 1mss h ASP 26 Ca 0.38 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1mss h ASP 26 Cb 0.21 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1mss h ASP 26 CO -0.19 0.82 -0.11 0.25 -1.72 0.00 0.00 179.24 178.29 1mss h LEU 27 N 1.14 -0.29 -0.65 1.55 6.46 -0.48 -1.37 115.31 121.65 1mss h LEU 27 Ca 0.29 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 58.13 1mss h LEU 27 Cb 0.02 0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.00 1mss h LEU 27 CO -0.05 -0.18 0.36 -0.26 -0.62 0.00 0.00 178.44 177.69 1mss h PHE 28 N -0.26 0.65 -0.58 1.25 0.04 -0.81 -1.99 116.94 115.25 1mss h PHE 28 Ca -0.00 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.80 1mss h PHE 28 Cb 0.24 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 1mss h PHE 28 CO -0.11 0.31 0.38 -0.91 -0.60 0.00 0.00 178.31 177.38 1mss h ASN 29 N 0.66 0.67 0.93 2.17 2.35 -0.77 -2.20 115.58 119.39 1mss h ASN 29 Ca 0.29 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1mss h ASN 29 Cb 0.19 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1mss h ASN 29 CO -0.18 0.49 0.00 -1.54 -1.65 0.00 0.00 177.43 174.54 1mss n SER 30 N -4.68 0.50 -4.77 5.81 3.41 -0.55 -4.81 113.62 108.53 1mss n SER 30 Ca 0.04 0.59 -0.38 0.00 -0.26 0.00 0.00 58.87 58.86 1mss n SER 30 Cb 0.02 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.20 1mss n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1mss s THR 31 N -3.16 4.19 -0.19 6.66 2.01 -0.79 -5.05 115.64 119.31 1mss s THR 31 Ca 0.08 1.87 -0.07 0.00 0.31 0.00 0.00 61.69 63.88 1mss s THR 31 Cb 0.11 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1mss s THR 31 CO 0.44 0.24 0.06 -0.55 -0.69 0.00 0.00 174.62 174.12 1mss s SER 32 N -1.50 5.50 -0.34 3.53 0.15 -1.26 -5.00 113.70 114.77 1mss s SER 32 Ca 0.47 0.02 0.01 0.00 0.70 0.00 0.00 55.95 57.16 1mss s SER 32 Cb -0.20 -1.94 0.11 0.00 -1.71 0.00 0.00 66.02 62.27 1mss s SER 32 CO 0.26 0.14 0.11 -0.63 1.20 0.00 0.00 173.24 174.32 1mss s ILE 33 N 0.55 1.42 -2.26 6.45 1.01 -1.26 -4.97 121.20 122.14 1mss s ILE 33 Ca 0.03 -1.90 0.20 0.00 0.00 0.00 0.00 60.65 58.97 1mss s ILE 33 Cb -0.13 -2.05 0.45 0.00 0.01 0.00 0.00 42.46 40.73 1mss s ILE 33 CO 0.01 -0.69 1.44 0.59 0.00 0.00 0.00 174.94 176.30 1mss n ASN 34 N 4.43 2.64 -4.71 3.58 5.03 -1.26 -4.93 115.26 120.05 1mss n ASN 34 Ca 0.01 -1.90 -0.23 0.00 0.87 0.00 0.00 54.58 53.34 1mss n ASN 34 Cb 0.41 -0.23 -0.06 0.00 -1.02 0.00 0.00 39.78 38.87 1mss n ASN 34 CO 0.00 0.00 0.00 -1.38 -1.83 0.00 0.00 177.26 174.05 1mss s HIS 35 N -1.54 2.78 -0.83 3.10 -3.43 -1.26 -5.05 115.29 109.06 1mss s HIS 35 Ca 0.35 -0.25 -0.25 0.00 -0.80 0.00 0.00 55.06 54.11 1mss s HIS 35 Cb 0.19 -1.37 -0.00 0.00 -1.43 0.00 0.00 32.58 29.97 1mss s HIS 35 CO 0.27 0.52 1.69 0.34 -2.00 0.00 0.00 174.74 175.56 1mss s ASP 36 N -3.76 5.68 -0.03 7.38 2.15 -1.26 -4.93 116.67 121.90 1mss s ASP 36 Ca 0.34 -0.58 -0.08 0.00 0.43 0.00 0.00 52.55 52.65 1mss s ASP 36 Cb -0.06 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 40.02 1mss s ASP 36 CO 0.22 -2.20 0.18 0.54 -0.17 0.00 0.00 175.17 173.74 1mss s VAL 37 N 7.86 0.05 -0.42 1.11 0.11 -1.26 -4.37 120.40 123.49 1mss s VAL 37 Ca 0.58 -0.42 -0.08 0.00 -2.93 0.00 0.00 61.98 59.13 1mss s VAL 37 Cb -0.07 -0.40 0.09 0.00 -1.53 0.00 0.00 36.38 34.46 1mss s VAL 37 CO 0.05 -0.23 0.25 -1.58 -3.33 0.00 0.00 175.10 170.26 1mss s GLN 38 N -0.84 2.51 0.29 1.54 2.00 -0.93 -4.91 119.66 119.32 1mss s GLN 38 Ca -0.09 -1.52 -0.14 0.00 -2.00 0.00 0.00 55.36 51.60 1mss s GLN 38 Cb -0.05 -3.74 -0.09 0.00 0.80 0.00 0.00 33.01 29.93 1mss s GLN 38 CO 0.01 -0.98 0.69 0.00 -0.50 0.00 0.00 175.29 174.52 1mss s VAL 40 N -1.91 -0.01 -0.30 0.00 1.01 -0.27 -1.71 120.40 117.21 1mss s VAL 40 Ca 0.52 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1mss s VAL 40 Cb -0.11 -0.28 0.07 0.00 0.00 0.00 0.00 36.38 36.05 1mss s VAL 40 CO 0.18 0.02 -0.03 -0.69 0.00 0.00 0.00 175.10 174.59 1mss s VAL 41 N 0.39 2.53 0.05 2.92 1.01 -0.47 0.02 120.40 126.86 1mss s VAL 41 Ca -0.02 -1.71 -0.14 0.00 0.00 0.00 0.00 61.98 60.10 1mss s VAL 41 Cb -0.04 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 1mss s VAL 41 CO -0.02 -0.20 0.46 0.00 0.00 0.00 0.00 175.10 175.34 1mss s ALA 42 N 1.12 3.67 0.02 5.51 0.00 0.87 -1.54 121.76 131.39 1mss s ALA 42 Ca -0.03 -0.20 -0.17 0.00 0.00 0.00 0.00 51.96 51.56 1mss s ALA 42 Cb -0.20 -2.43 0.03 0.00 0.00 0.00 0.00 23.12 20.52 1mss s ALA 42 CO -0.04 0.48 0.37 0.45 0.00 0.00 0.00 175.76 177.02 1mss s SER 43 N -1.33 -0.24 1.11 0.00 0.15 -0.89 -1.66 113.70 110.84 1mss s SER 43 Ca 0.29 0.04 -0.13 0.00 0.70 0.00 0.00 55.95 56.84 1mss s SER 43 Cb -0.16 0.38 0.25 0.00 -1.71 0.00 0.00 66.02 64.78 1mss s SER 43 CO 0.16 -0.57 1.05 0.42 1.20 0.00 0.00 173.24 175.50 1mss s THR 44 N -1.99 1.97 0.18 6.45 -4.23 -1.25 -3.75 115.64 113.01 1mss s THR 44 Ca -0.09 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.29 1mss s THR 44 Cb -0.02 -2.27 0.07 0.00 1.34 0.00 0.00 72.50 71.62 1mss s THR 44 CO 0.01 0.00 1.78 0.77 -0.54 0.00 0.00 174.62 176.64 1mss h SER 45 N -2.36 0.35 0.00 3.99 4.64 -1.98 -2.75 113.55 115.44 1mss h SER 45 Ca -0.58 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1mss h SER 45 Cb 1.34 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1mss h SER 45 CO 0.53 0.25 0.05 0.77 -0.87 0.00 0.00 176.83 177.56 1mss h SER 46 N 0.48 0.00 0.00 4.97 4.64 -2.03 -2.72 113.55 118.89 1mss h SER 46 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1mss h SER 46 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1mss h SER 46 CO -0.15 0.00 -0.27 1.41 -0.87 0.00 0.00 176.83 176.95 1mss n HIS 47 N -2.39 0.00 -0.27 4.77 -0.00 -1.08 -4.75 115.22 111.49 1mss n HIS 47 Ca -0.02 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.78 1mss n HIS 47 Cb 0.09 -0.01 0.19 0.00 -0.00 0.00 0.00 29.99 30.26 1mss n HIS 47 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1mss h LEU 48 N 0.00 -0.32 -0.03 2.41 3.38 -1.20 -1.11 115.31 118.45 1mss h LEU 48 Ca 0.00 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1mss h LEU 48 Cb 0.05 0.35 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1mss h LEU 48 CO 0.00 -0.19 0.02 0.00 0.09 0.00 0.00 178.44 178.36 1mss h ALA 49 N 1.75 0.03 0.40 1.53 0.00 -1.85 -2.08 119.26 119.04 1mss h ALA 49 Ca 0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1mss h ALA 49 Cb 0.83 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1mss h ALA 49 CO -0.69 -0.47 -0.25 1.98 0.00 0.00 0.00 179.25 179.82 1mss h MET 50 N 0.03 -0.59 -0.18 0.00 1.85 -1.54 -2.21 114.93 112.28 1mss h MET 50 Ca 0.01 0.04 0.05 0.00 -0.61 0.00 0.00 59.70 59.19 1mss h MET 50 Cb 0.00 0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.16 1mss h MET 50 CO -0.00 -0.39 0.27 0.00 -0.40 0.00 0.00 176.91 176.39 1mss h THR 51 N -0.61 0.29 -0.01 -0.77 1.03 -1.45 0.23 112.91 111.62 1mss h THR 51 Ca -0.05 0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 66.19 1mss h THR 51 Cb 0.49 0.77 -0.02 0.00 -1.07 0.00 0.00 68.15 68.32 1mss h THR 51 CO 0.05 0.00 -0.71 0.50 -0.01 0.00 0.00 175.52 175.35 1mss h LYS 52 N 0.00 0.06 0.00 0.00 3.11 -1.07 -1.42 116.57 117.26 1mss h LYS 52 Ca 0.08 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.86 1mss h LYS 52 Cb 0.63 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.87 1mss h LYS 52 CO -0.00 0.74 -0.91 1.49 -2.81 0.00 0.00 179.45 177.97 1mss h GLU 53 N 0.04 0.00 0.00 1.90 4.81 0.04 -3.39 114.58 117.98 1mss h GLU 53 Ca -0.01 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 1mss h GLU 53 Cb 1.25 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 1mss h GLU 53 CO 0.10 0.03 -1.71 0.54 -0.73 0.00 0.00 179.01 177.24 1mss n ARG 54 N -2.75 1.59 -2.22 1.92 1.74 -0.68 -4.95 116.66 111.30 1mss n ARG 54 Ca -0.00 -0.04 -0.43 0.00 -0.77 0.00 0.00 57.85 56.61 1mss n ARG 54 Cb 0.57 -1.29 -0.02 0.00 -1.02 0.00 0.00 32.46 30.70 1mss n ARG 54 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1mss s LEU 55 N -4.52 4.06 0.00 0.55 2.96 -0.54 -4.84 118.68 116.35 1mss s LEU 55 Ca -0.05 1.70 0.00 0.00 -0.22 0.00 0.00 54.13 55.56 1mss s LEU 55 Cb 0.05 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.20 1mss s LEU 55 CO 0.48 -1.02 0.00 -1.54 -1.32 0.00 0.00 176.35 172.95 1mss n SER 56 N 7.53 1.21 -4.63 3.68 3.41 -1.26 -4.94 113.62 118.62 1mss n SER 56 Ca 0.16 -0.26 -0.46 0.00 -0.26 0.00 0.00 58.87 58.05 1mss n SER 56 Cb 0.45 0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 65.12 1mss n SER 56 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1mss n HIS 57 N -0.88 1.82 0.19 7.33 -0.00 -1.26 -4.88 115.22 117.54 1mss n HIS 57 Ca 0.00 0.53 0.04 0.00 -0.00 0.00 0.00 57.72 58.29 1mss n HIS 57 Cb 0.00 -2.39 0.37 0.00 -0.00 0.00 0.00 29.99 27.97 1mss n HIS 57 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1mss h PRO 58 N 3.93 0.00 -0.29 1.57 0.11 -1.96 -2.91 132.00 132.44 1mss h PRO 58 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1mss h PRO 58 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1mss h PRO 58 CO 0.74 0.38 0.00 1.63 -0.21 0.00 0.00 178.00 180.54 1mss n LYS 59 N -3.81 1.71 -4.51 1.05 4.76 -1.26 -4.88 118.16 111.22 1mss n LYS 59 Ca -0.01 -1.10 -0.31 0.00 -2.87 0.00 0.00 58.31 54.02 1mss n LYS 59 Cb 0.45 -1.25 -0.12 0.00 -1.84 0.00 0.00 35.03 32.27 1mss n LYS 59 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1mss s PHE 60 N -1.61 2.65 0.12 2.13 0.40 -1.10 -0.86 117.98 119.71 1mss s PHE 60 Ca 0.22 -0.20 0.04 0.00 -0.60 0.00 0.00 56.93 56.39 1mss s PHE 60 Cb 0.11 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 42.13 1mss s PHE 60 CO 0.15 0.32 -0.11 0.14 0.70 0.00 0.00 175.22 176.42 1mss s VAL 61 N -1.01 1.11 0.01 -0.44 -7.23 -0.69 -4.90 120.40 107.24 1mss s VAL 61 Ca 0.17 -1.82 -0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1mss s VAL 61 Cb -0.11 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.21 1mss s VAL 61 CO 0.08 -0.61 0.09 -0.63 -0.31 0.00 0.00 175.10 173.72 1mss s ILE 62 N -2.73 4.77 0.03 -0.62 1.01 -1.26 -1.36 121.20 121.03 1mss s ILE 62 Ca 0.11 -0.43 -0.00 0.00 0.00 0.00 0.00 60.65 60.32 1mss s ILE 62 Cb -0.01 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 1mss s ILE 62 CO 0.01 0.32 -0.03 0.00 0.00 0.00 0.00 174.94 175.23 1mss s ALA 63 N -1.24 0.21 0.57 9.38 0.00 -0.59 -3.98 121.76 126.11 1mss s ALA 63 Ca 0.24 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.54 1mss s ALA 63 Cb -0.12 0.17 0.10 0.00 0.00 0.00 0.00 23.12 23.26 1mss s ALA 63 CO 0.16 -0.19 0.74 0.00 0.00 0.00 0.00 175.76 176.47 1mss n ALA 64 N 1.34 0.64 -3.68 0.00 0.00 0.84 -2.09 120.51 117.57 1mss n ALA 64 Ca -0.22 -1.70 -0.18 0.00 0.00 0.00 0.00 53.44 51.34 1mss n ALA 64 Cb 0.56 0.38 -0.17 0.00 0.00 0.00 0.00 19.45 20.23 1mss n ALA 64 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1mss s GLN 65 N -4.40 -0.03 0.00 0.00 -0.21 -1.25 -1.28 119.66 112.50 1mss s GLN 65 Ca 0.53 0.45 0.00 0.00 0.02 0.00 0.00 55.36 56.35 1mss s GLN 65 Cb -0.04 -0.39 0.00 0.00 1.00 0.00 0.00 33.01 33.59 1mss s GLN 65 CO 0.34 -0.31 0.00 0.09 -2.12 0.00 0.00 175.29 173.30 1mss n ASN 66 N 5.21 -2.20 -4.69 5.90 5.03 -0.86 -4.87 115.26 118.79 1mss n ASN 66 Ca -0.06 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 54.97 1mss n ASN 66 Cb 0.50 -0.37 -0.03 0.00 -1.02 0.00 0.00 39.78 38.86 1mss n ASN 66 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1mss s ALA 67 N -2.20 3.63 -0.02 5.41 0.00 -1.26 -4.87 121.76 122.46 1mss s ALA 67 Ca 0.00 1.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 1mss s ALA 67 Cb 0.00 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1mss s ALA 67 CO 0.00 -1.04 -0.02 0.41 0.00 0.00 0.00 175.76 175.11 1mss n GLY 68 N 3.85 -0.02 3.59 0.00 0.00 -1.26 -4.84 105.19 106.50 1mss n GLY 68 Ca 0.15 -0.01 -0.48 0.00 0.00 0.00 0.00 46.02 45.68 1mss n GLY 68 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mss n ASN 69 N -3.05 1.58 -0.23 1.61 2.85 -1.26 -4.83 115.26 111.93 1mss n ASN 69 Ca -0.03 1.15 -0.00 0.00 -0.11 0.00 0.00 54.58 55.58 1mss n ASN 69 Cb 0.52 -1.26 0.22 0.00 1.24 0.00 0.00 39.78 40.50 1mss n ASN 69 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mss h ALA 70 N 3.38 1.40 -0.38 5.20 0.00 -1.99 -0.97 119.26 125.90 1mss h ALA 70 Ca -0.43 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 1mss h ALA 70 Cb 1.33 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1mss h ALA 70 CO 0.70 0.53 -0.09 -0.44 0.00 0.00 0.00 179.25 179.95 1mss h ASP 71 N 1.04 0.74 -0.74 0.00 5.19 -2.00 -2.00 116.42 118.65 1mss h ASP 71 Ca 0.28 -0.36 0.03 0.00 -0.62 0.00 0.00 57.03 56.35 1mss h ASP 71 Cb -0.06 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.20 1mss h ASP 71 CO -0.05 0.93 0.47 0.00 -3.12 0.00 0.00 179.24 177.47 1mss h ALA 72 N 0.83 0.97 0.08 3.45 0.00 -1.80 -2.09 119.26 120.70 1mss h ALA 72 Ca 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1mss h ALA 72 Cb 0.60 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1mss h ALA 72 CO 0.04 0.28 -0.09 -0.07 0.00 0.00 0.00 179.25 179.40 1mss h LEU 80 N 0.93 -0.25 -0.76 0.00 3.38 -1.04 -2.44 115.31 115.13 1mss h LEU 80 Ca 0.29 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.45 1mss h LEU 80 Cb -0.01 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 40.73 1mss h LEU 80 CO -0.10 -0.14 0.25 0.00 0.09 0.00 0.00 178.44 178.53 1mss h ALA 81 N 0.70 1.04 -0.40 1.53 0.00 -0.88 -0.59 119.26 120.66 1mss h ALA 81 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1mss h ALA 81 Cb 0.20 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1mss h ALA 81 CO -0.04 -0.29 0.25 0.77 0.00 0.00 0.00 179.25 179.94 1mss h SER 82 N 0.35 0.48 -0.09 0.00 0.02 -1.13 -0.96 113.55 112.21 1mss h SER 82 Ca 0.43 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.37 1mss h SER 82 Cb 0.72 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 1mss h SER 82 CO -0.47 0.38 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.43 1mss h LEU 83 N 0.54 -0.28 -0.39 5.07 3.38 -0.69 0.84 115.31 123.78 1mss h LEU 83 Ca 0.15 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.25 1mss h LEU 83 Cb -0.02 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 1mss h LEU 83 CO -0.03 -0.13 -0.03 0.50 0.09 0.00 0.00 178.44 178.85 1mss h LYS 84 N -0.11 0.07 -0.21 1.13 1.63 -0.91 0.58 116.57 118.74 1mss h LYS 84 Ca 0.07 -0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.76 1mss h LYS 84 Cb 0.21 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1mss h LYS 84 CO -0.16 0.05 -0.31 0.22 -3.45 0.00 0.00 179.45 175.80 1mss h ASP 85 N 0.07 0.44 0.39 4.20 3.58 -0.63 -2.31 116.42 122.16 1mss h ASP 85 Ca 0.19 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1mss h ASP 85 Cb 0.27 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1mss h ASP 85 CO -0.34 0.73 0.00 0.33 -2.88 0.00 0.00 179.24 177.08 1mss n PHE 86 N -4.09 0.00 -0.95 0.28 7.35 0.29 -4.86 117.46 115.48 1mss n PHE 86 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1mss n PHE 86 Cb 0.43 -0.31 0.00 0.00 0.35 0.00 0.00 39.48 39.95 1mss n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mss n GLY 87 N 0.33 1.08 3.02 7.13 0.00 -0.62 -5.04 105.19 111.10 1mss n GLY 87 Ca 0.08 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 1mss n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mss s VAL 88 N -2.00 1.82 -0.18 1.61 1.01 0.10 -4.94 120.40 117.82 1mss s VAL 88 Ca 0.00 -1.20 0.14 0.00 0.00 0.00 0.00 61.98 60.92 1mss s VAL 88 Cb 0.00 -1.90 0.43 0.00 0.00 0.00 0.00 36.38 34.91 1mss s VAL 88 CO 0.00 0.13 1.21 -0.46 0.00 0.00 0.00 175.10 175.97 1mss n ASN 89 N 4.61 1.90 -3.99 3.32 6.94 -1.26 -3.44 115.26 123.34 1mss n ASN 89 Ca -0.15 -3.51 -0.20 0.00 -0.02 0.00 0.00 54.58 50.70 1mss n ASN 89 Cb 0.45 -0.47 -0.16 0.00 -2.36 0.00 0.00 39.78 37.25 1mss n ASN 89 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1mss s TRP 90 N -2.71 0.92 -0.05 -2.53 0.52 -1.26 -0.52 118.94 113.31 1mss s TRP 90 Ca 0.38 -0.23 -0.04 0.00 0.02 0.00 0.00 56.10 56.23 1mss s TRP 90 Cb 0.38 -0.66 0.01 0.00 -1.15 0.00 0.00 33.47 32.04 1mss s TRP 90 CO -0.08 -0.11 0.12 -1.50 0.02 0.00 0.00 176.95 175.41 1mss s ILE 91 N 0.25 -0.00 -0.26 2.03 2.07 0.13 -0.11 121.20 125.31 1mss s ILE 91 Ca -0.04 0.01 -0.10 0.00 -1.41 0.00 0.00 60.65 59.11 1mss s ILE 91 Cb -0.09 -0.18 -0.05 0.00 0.13 0.00 0.00 42.46 42.28 1mss s ILE 91 CO 0.00 0.00 0.16 -0.69 -1.91 0.00 0.00 174.94 172.51 1mss s VAL 92 N 0.11 5.19 0.09 4.00 1.01 -0.41 -1.12 120.40 129.27 1mss s VAL 92 Ca -0.00 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.16 1mss s VAL 92 Cb -0.01 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1mss s VAL 92 CO -0.00 0.31 -0.15 -0.76 0.00 0.00 0.00 175.10 174.49 1mss s LEU 93 N 1.41 2.31 0.00 3.92 1.43 -0.10 -2.03 118.68 125.62 1mss s LEU 93 Ca 0.07 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1mss s LEU 93 Cb -0.15 -0.60 0.00 0.00 0.03 0.00 0.00 46.19 45.48 1mss s LEU 93 CO 0.07 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1mss n GLY 94 N 1.08 0.44 3.52 -3.19 0.00 -1.26 -1.01 105.19 104.76 1mss n GLY 94 Ca -0.20 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 1mss n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1mss n HIS 95 N -2.96 -0.19 -0.22 1.61 -0.00 -1.26 -4.46 115.22 107.73 1mss n HIS 95 Ca 0.00 0.42 0.03 0.00 0.46 0.00 0.00 57.72 58.63 1mss n HIS 95 Cb 0.00 -2.01 0.14 0.00 -0.12 0.00 0.00 29.99 28.00 1mss n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1mss h SER 96 N 0.18 0.05 0.93 0.26 4.64 -1.95 -1.02 113.55 116.64 1mss h SER 96 Ca -0.47 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1mss h SER 96 Cb 1.38 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1mss h SER 96 CO 0.47 0.02 0.00 1.05 -0.87 0.00 0.00 176.83 177.50 1mss h GLU 97 N 0.30 0.00 0.02 4.77 -0.00 -1.99 -1.68 114.58 115.99 1mss h GLU 97 Ca 0.36 0.00 -0.22 0.00 -0.00 0.00 0.00 59.36 59.50 1mss h GLU 97 Cb 0.55 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.32 1mss h GLU 97 CO -0.43 0.00 -0.86 0.00 -0.00 0.00 0.00 179.01 177.72 1mss h ARG 98 N 0.00 0.55 -0.29 1.06 2.47 -1.53 -1.96 114.38 114.68 1mss h ARG 98 Ca 0.00 -0.62 -0.10 0.00 -1.26 0.00 0.00 59.98 58.00 1mss h ARG 98 Cb 0.47 0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 1mss h ARG 98 CO 0.00 1.23 -0.22 0.00 0.56 0.00 0.00 179.97 181.54 1mss h ARG 99 N 0.13 0.67 0.53 0.04 3.08 -1.25 -1.26 114.38 116.32 1mss h ARG 99 Ca -0.11 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.59 1mss h ARG 99 Cb 1.55 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.60 1mss h ARG 99 CO 0.17 0.93 -0.25 0.00 -1.07 0.00 0.00 179.97 179.74 1mss h ALA 100 N 0.73 -0.71 0.03 0.04 0.00 -1.39 -2.77 119.26 115.20 1mss h ALA 100 Ca 0.06 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 1mss h ALA 100 Cb 0.77 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1mss h ALA 100 CO 0.06 -0.66 -1.29 1.88 0.00 0.00 0.00 179.25 179.24 1mss h TYR 101 N -1.18 0.13 -0.56 0.00 -1.99 -1.49 -3.35 116.97 108.53 1mss h TYR 101 Ca -0.07 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.56 1mss h TYR 101 Cb 0.55 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.28 1mss h TYR 101 CO 0.00 1.10 0.00 0.66 -0.00 0.00 0.00 178.16 179.92 1mss n TYR 102 N -3.32 0.87 -3.93 4.88 4.02 -0.49 -4.98 117.16 114.20 1mss n TYR 102 Ca -0.08 -0.53 -0.27 0.00 -0.01 0.00 0.00 57.90 57.01 1mss n TYR 102 Cb 0.99 -0.06 -0.01 0.00 -0.02 0.00 0.00 39.34 40.24 1mss n TYR 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1mss n GLY 103 N 1.07 -0.33 3.41 2.72 0.00 -1.05 -4.90 105.19 106.11 1mss n GLY 103 Ca 0.20 0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.97 1mss n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mss s GLU 104 N -6.54 3.08 0.87 1.61 2.02 -1.13 -4.98 118.70 113.63 1mss s GLU 104 Ca 0.07 -1.08 -0.12 0.00 0.02 0.00 0.00 54.97 53.87 1mss s GLU 104 Cb -0.03 -4.24 0.11 0.00 0.10 0.00 0.00 34.13 30.07 1mss s GLU 104 CO 0.89 -1.64 1.10 0.95 0.02 0.00 0.00 175.26 176.59 1mss s THR 105 N 3.27 2.69 0.56 3.63 -4.23 -1.26 -4.40 115.64 115.89 1mss s THR 105 Ca 0.16 0.22 0.27 0.00 -1.18 0.00 0.00 61.69 61.16 1mss s THR 105 Cb -0.21 -2.85 0.38 0.00 1.34 0.00 0.00 72.50 71.16 1mss s THR 105 CO 0.08 -0.29 2.00 0.78 -0.54 0.00 0.00 174.62 176.66 1mss h ASN 106 N -1.38 0.00 0.24 3.99 2.35 -1.97 0.24 115.58 119.05 1mss h ASN 106 Ca -0.49 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.25 1mss h ASN 106 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 1mss h ASN 106 CO 0.58 0.00 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.91 1mss h GLU 107 N 0.00 -0.32 -0.58 0.81 3.07 -1.96 -1.10 114.58 114.51 1mss h GLU 107 Ca 0.20 0.02 0.09 0.00 -0.50 0.00 0.00 59.36 59.16 1mss h GLU 107 Cb 0.90 0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.81 1mss h GLU 107 CO -0.00 0.01 0.21 0.82 -1.40 0.00 0.00 179.01 178.65 1mss h ILE 108 N -0.96 0.79 -0.56 3.13 2.04 -1.63 0.79 117.51 121.10 1mss h ILE 108 Ca -0.03 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1mss h ILE 108 Cb 0.47 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1mss h ILE 108 CO 0.06 0.07 0.22 0.58 0.00 0.00 0.00 178.15 179.07 1mss h VAL 109 N 0.39 1.20 -0.50 1.67 2.07 -0.64 -1.93 116.25 118.51 1mss h VAL 109 Ca 0.29 -0.65 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 1mss h VAL 109 Cb 0.34 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1mss h VAL 109 CO -0.29 0.25 -0.07 0.00 0.02 0.00 0.00 177.57 177.48 1mss h ALA 110 N 1.44 0.69 -0.11 1.67 0.00 0.26 -2.47 119.26 120.73 1mss h ALA 110 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1mss h ALA 110 Cb 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1mss h ALA 110 CO -0.02 0.56 0.07 -0.44 0.00 0.00 0.00 179.25 179.42 1mss h ASP 111 N 0.80 0.13 0.42 0.00 3.32 -0.47 -2.47 116.42 118.15 1mss h ASP 111 Ca 0.13 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1mss h ASP 111 Cb 0.62 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1mss h ASP 111 CO 0.04 0.11 -0.41 0.11 -1.72 0.00 0.00 179.24 177.37 1mss h LYS 112 N 0.13 -0.82 -0.93 3.56 1.57 -1.32 -1.93 116.57 116.83 1mss h LYS 112 Ca 0.04 0.06 0.24 0.00 -1.87 0.00 0.00 60.65 59.12 1mss h LYS 112 Cb 0.01 0.19 -0.13 0.00 0.08 0.00 0.00 32.23 32.37 1mss h LYS 112 CO -0.01 -0.55 0.44 0.28 -0.57 0.00 0.00 179.45 179.05 1mss h VAL 113 N -0.85 0.45 -0.44 0.50 2.07 -1.40 0.17 116.25 116.76 1mss h VAL 113 Ca -0.04 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 1mss h VAL 113 Cb 0.75 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1mss h VAL 113 CO -0.06 0.08 -0.16 0.00 0.02 0.00 0.00 177.57 177.44 1mss h ALA 114 N 1.74 0.89 0.23 1.67 0.00 -1.12 -1.44 119.26 121.24 1mss h ALA 114 Ca 0.60 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1mss h ALA 114 Cb 1.18 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1mss h ALA 114 CO -0.54 0.63 -0.11 0.00 0.00 0.00 0.00 179.25 179.23 1mss h ALA 115 N 1.08 -0.31 -0.24 0.00 0.00 0.03 -1.87 119.26 117.95 1mss h ALA 115 Ca 0.11 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1mss h ALA 115 Cb 0.68 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1mss h ALA 115 CO 0.05 -0.54 -0.07 0.00 0.00 0.00 0.00 179.25 178.69 1mss h ALA 116 N 0.11 0.15 -0.04 0.00 0.00 -1.02 -0.28 119.26 118.19 1mss h ALA 116 Ca -0.03 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1mss h ALA 116 Cb 0.42 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1mss h ALA 116 CO 0.05 -0.48 0.03 -0.24 0.00 0.00 0.00 179.25 178.62 1mss h VAL 117 N -0.01 0.81 -0.01 0.00 3.04 -1.25 0.08 116.25 118.90 1mss h VAL 117 Ca 0.12 0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.61 1mss h VAL 117 Cb 0.19 0.98 -0.01 0.00 -2.01 0.00 0.00 31.29 30.44 1mss h VAL 117 CO -0.25 0.00 -0.86 0.00 -1.01 0.00 0.00 177.57 175.45 1mss h ALA 118 N 1.97 0.50 0.00 3.17 0.00 -0.28 -2.88 119.26 121.74 1mss h ALA 118 Ca 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1mss h ALA 118 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1mss h ALA 118 CO -0.00 0.85 0.00 0.43 0.00 0.00 0.00 179.25 180.53 1mss n SER 119 N -3.72 0.00 0.00 0.00 7.64 -0.06 -4.84 113.62 112.63 1mss n SER 119 Ca -0.05 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.48 1mss n SER 119 Cb 0.79 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1mss n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mss n GLY 120 N 0.43 0.76 3.82 0.23 0.00 -0.97 -5.02 105.19 104.44 1mss n GLY 120 Ca 0.13 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1mss n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mss s PHE 121 N -2.00 3.14 -0.27 1.61 0.40 -0.74 -5.00 117.98 115.13 1mss s PHE 121 Ca 0.00 1.43 -0.11 0.00 -0.60 0.00 0.00 56.93 57.64 1mss s PHE 121 Cb 0.00 -2.88 -0.05 0.00 0.51 0.00 0.00 43.02 40.60 1mss s PHE 121 CO 0.00 -1.17 0.20 -1.64 0.70 0.00 0.00 175.22 173.31 1mss s MET 122 N -4.91 4.00 -0.08 0.44 -1.94 0.32 -4.44 119.30 112.69 1mss s MET 122 Ca 0.59 -0.27 0.00 0.00 -1.71 0.00 0.00 55.69 54.30 1mss s MET 122 Cb -0.14 -3.62 -0.03 0.00 2.01 0.00 0.00 34.83 33.05 1mss s MET 122 CO 0.52 -0.11 -0.06 0.08 -0.01 0.00 0.00 175.02 175.45 1mss s VAL 123 N 1.56 3.81 -0.40 -6.03 1.01 -0.32 -0.70 120.40 119.32 1mss s VAL 123 Ca 0.08 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 1mss s VAL 123 Cb -0.15 -2.57 0.09 0.00 0.00 0.00 0.00 36.38 33.75 1mss s VAL 123 CO 0.09 0.59 0.21 -0.63 0.00 0.00 0.00 175.10 175.36 1mss s ILE 124 N -0.72 3.65 -0.20 2.22 1.01 -0.27 0.02 121.20 126.91 1mss s ILE 124 Ca 0.11 -1.70 -0.15 0.00 0.00 0.00 0.00 60.65 58.91 1mss s ILE 124 Cb -0.11 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1mss s ILE 124 CO 0.02 -0.55 0.34 0.00 0.00 0.00 0.00 174.94 174.75 1mss s ALA 125 N 1.28 3.57 -0.11 9.38 0.00 0.79 -0.92 121.76 135.74 1mss s ALA 125 Ca 0.04 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.34 1mss s ALA 125 Cb -0.23 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 1mss s ALA 125 CO -0.01 -0.19 0.24 0.00 0.00 0.00 0.00 175.76 175.80 1mss s ILE 127 N -0.50 0.09 0.00 0.00 -4.36 -0.79 -4.66 121.20 110.97 1mss s ILE 127 Ca 0.16 -0.74 0.00 0.00 -0.26 0.00 0.00 60.65 59.82 1mss s ILE 127 Cb -0.13 -0.45 0.00 0.00 1.25 0.00 0.00 42.46 43.13 1mss s ILE 127 CO 0.05 -0.41 0.00 0.61 0.24 0.00 0.00 174.94 175.44 1mss n GLY 128 N 1.40 1.62 3.75 6.27 0.00 -1.26 -0.01 105.19 116.97 1mss n GLY 128 Ca -0.23 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 1mss n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mss s GLU 129 N -2.00 2.70 0.70 1.61 1.03 -1.25 -4.86 118.70 116.63 1mss s GLU 129 Ca 0.00 -1.07 -0.01 0.00 0.03 0.00 0.00 54.97 53.93 1mss s GLU 129 Cb 0.00 -2.48 0.11 0.00 -0.80 0.00 0.00 34.13 30.97 1mss s GLU 129 CO 0.00 0.43 0.97 0.95 -1.33 0.00 0.00 175.26 176.28 1mss s THR 130 N -1.96 2.20 0.11 1.83 -4.23 -1.26 -2.10 115.64 110.22 1mss s THR 130 Ca 0.31 -0.60 -0.29 0.00 -1.18 0.00 0.00 61.69 59.93 1mss s THR 130 Cb -0.09 -2.60 -0.08 0.00 1.34 0.00 0.00 72.50 71.07 1mss s THR 130 CO 0.22 0.00 1.61 0.25 -0.54 0.00 0.00 174.62 176.16 1mss h LEU 131 N -0.45 -0.98 -2.20 4.79 5.85 -1.81 -0.25 115.31 120.25 1mss h LEU 131 Ca -0.37 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1mss h LEU 131 Cb 1.27 0.37 -0.00 0.00 0.37 0.00 0.00 40.66 42.68 1mss h LEU 131 CO 0.42 -0.42 -0.00 -0.61 -0.34 0.00 0.00 178.44 177.48 1mss h GLN 132 N -0.57 0.00 -0.16 1.25 5.75 -1.97 0.49 115.11 119.92 1mss h GLN 132 Ca 0.03 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.35 1mss h GLN 132 Cb 0.60 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.15 1mss h GLN 132 CO -0.20 0.00 -0.63 0.93 -2.65 0.00 0.00 178.83 176.28 1mss h GLU 133 N 0.00 0.70 0.14 1.69 5.08 -1.74 -2.47 114.58 117.97 1mss h GLU 133 Ca -0.00 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 1mss h GLU 133 Cb 0.00 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1mss h GLU 133 CO 0.00 1.16 -0.07 -0.09 -1.00 0.00 0.00 179.01 179.02 1mss h ARG 134 N 0.39 -0.18 -0.51 2.33 2.43 0.35 0.61 114.38 119.80 1mss h ARG 134 Ca -0.03 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.25 1mss h ARG 134 Cb 1.26 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.74 1mss h ARG 134 CO 0.13 0.22 -0.23 0.93 -1.51 0.00 0.00 179.97 179.51 1mss h GLU 135 N -0.63 -0.11 0.00 0.20 4.39 -0.16 0.63 114.58 118.90 1mss h GLU 135 Ca -0.02 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1mss h GLU 135 Cb 0.48 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1mss h GLU 135 CO 0.03 -0.07 0.00 0.43 -1.16 0.00 0.00 179.01 178.24 1mss n SER 136 N -5.42 0.00 -3.00 1.42 7.64 -0.93 -4.81 113.62 108.53 1mss n SER 136 Ca 0.04 -0.75 -0.20 0.00 1.01 0.00 0.00 58.87 58.97 1mss n SER 136 Cb 0.32 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.58 1mss n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mss n GLY 137 N -0.02 -0.31 0.98 0.23 0.00 0.22 -4.91 105.19 101.38 1mss n GLY 137 Ca 0.05 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.25 1mss n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mss n ARG 138 N -4.14 2.58 -0.19 1.61 1.74 0.21 -4.69 116.66 113.78 1mss n ARG 138 Ca -0.01 -2.25 -0.10 0.00 -0.77 0.00 0.00 57.85 54.72 1mss n ARG 138 Cb 0.56 -1.42 -0.05 0.00 -1.02 0.00 0.00 32.46 30.53 1mss n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1mss h THR 139 N 3.32 0.07 0.54 0.55 2.02 -1.79 0.24 112.91 117.86 1mss h THR 139 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1mss h THR 139 Cb 0.85 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1mss h THR 139 CO 0.00 0.00 -0.37 0.00 0.37 0.00 0.00 175.52 175.52 1mss h ALA 140 N 0.45 -1.15 -0.94 6.16 0.00 -1.93 -2.06 119.26 119.78 1mss h ALA 140 Ca 0.15 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.06 1mss h ALA 140 Cb 0.57 0.52 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 1mss h ALA 140 CO -0.66 -1.13 0.53 0.28 0.00 0.00 0.00 179.25 178.27 1mss h VAL 141 N -0.87 0.69 0.28 0.00 2.07 -1.86 -1.30 116.25 115.26 1mss h VAL 141 Ca -0.07 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1mss h VAL 141 Cb 0.71 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1mss h VAL 141 CO 0.05 0.12 -0.13 0.58 0.02 0.00 0.00 177.57 178.21 1mss h VAL 142 N 0.68 0.00 -0.98 2.57 2.07 -0.81 -0.26 116.25 119.52 1mss h VAL 142 Ca 0.54 -0.05 0.15 0.00 0.82 0.00 0.00 66.70 68.17 1mss h VAL 142 Cb 0.84 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.51 1mss h VAL 142 CO -0.39 0.00 0.60 -0.37 0.02 0.00 0.00 177.57 177.43 1mss h VAL 143 N -0.42 0.81 -0.35 2.57 -1.51 -1.26 -0.73 116.25 115.35 1mss h VAL 143 Ca -0.04 -0.29 -0.11 0.00 -1.23 0.00 0.00 66.70 65.02 1mss h VAL 143 Cb 0.29 -0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 29.31 1mss h VAL 143 CO 0.06 0.16 -0.25 -0.07 -1.23 0.00 0.00 177.57 176.24 1mss h LEU 144 N 0.85 0.72 -0.92 4.19 3.38 -1.26 -2.07 115.31 120.19 1mss h LEU 144 Ca 0.53 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1mss h LEU 144 Cb 0.68 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1mss h LEU 144 CO -0.33 0.94 0.54 0.74 0.09 0.00 0.00 178.44 180.43 1mss h THR 145 N 0.61 1.26 0.67 0.22 2.02 0.44 -0.90 112.91 117.22 1mss h THR 145 Ca 0.08 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 1mss h THR 145 Cb 0.75 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1mss h THR 145 CO 0.06 0.27 -0.32 1.56 0.37 0.00 0.00 175.52 177.46 1mss h GLN 146 N 1.27 -0.87 -0.95 6.66 4.20 -1.13 -2.23 115.11 122.07 1mss h GLN 146 Ca 0.33 0.06 0.17 0.00 0.06 0.00 0.00 58.65 59.27 1mss h GLN 146 Cb -0.03 0.20 -0.08 0.00 0.30 0.00 0.00 27.48 27.86 1mss h GLN 146 CO -0.06 -0.55 0.60 0.97 -0.67 0.00 0.00 178.83 179.13 1mss h ILE 147 N -1.16 0.76 -0.77 2.54 6.09 -1.33 -0.02 117.51 123.62 1mss h ILE 147 Ca -0.09 -0.23 -0.05 0.00 -1.37 0.00 0.00 64.86 63.11 1mss h ILE 147 Cb 0.72 0.03 -0.03 0.00 0.47 0.00 0.00 36.82 38.00 1mss h ILE 147 CO 0.15 0.12 0.27 0.00 -3.07 0.00 0.00 178.15 175.62 1mss h ALA 148 N 1.61 1.02 0.00 0.18 0.00 -1.09 -0.58 119.26 120.39 1mss h ALA 148 Ca 0.50 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1mss h ALA 148 Cb 0.88 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1mss h ALA 148 CO -0.26 0.67 -0.13 0.00 0.00 0.00 0.00 179.25 179.53 1mss h ALA 149 N 1.15 -0.15 0.66 0.00 0.00 -0.37 -1.49 119.26 119.06 1mss h ALA 149 Ca 0.25 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1mss h ALA 149 Cb 0.27 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1mss h ALA 149 CO -0.01 -0.62 -0.44 0.82 0.00 0.00 0.00 179.25 178.99 1mss h ILE 150 N -0.22 0.11 0.00 0.00 5.03 -1.26 -2.30 117.51 118.86 1mss h ILE 150 Ca 0.05 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.79 1mss h ILE 150 Cb 0.28 0.11 0.00 0.00 -3.03 0.00 0.00 36.82 34.18 1mss h ILE 150 CO -0.13 0.00 0.11 0.00 -0.68 0.00 0.00 178.15 177.45 1mss n ALA 151 N -2.69 0.84 0.27 1.87 0.00 -0.24 -1.60 120.51 118.95 1mss n ALA 151 Ca -0.13 0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.54 1mss n ALA 151 Cb 0.45 -0.96 0.48 0.00 0.00 0.00 0.00 19.45 19.43 1mss n ALA 151 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1mss h LYS 152 N 0.00 0.00 -0.01 0.00 3.64 -0.67 -3.25 116.57 116.29 1mss h LYS 152 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1mss h LYS 152 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1mss h LYS 152 CO 0.00 0.00 -0.02 0.36 -2.27 0.00 0.00 179.45 177.52 1mss n LYS 153 N -3.04 0.38 -4.01 1.90 2.85 -0.63 -5.01 118.16 110.60 1mss n LYS 153 Ca 0.02 -0.89 -0.23 0.00 -1.05 0.00 0.00 58.31 56.16 1mss n LYS 153 Cb 0.39 -1.12 -0.03 0.00 -0.65 0.00 0.00 35.03 33.61 1mss n LYS 153 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1mss s LEU 154 N -0.75 4.14 0.43 -5.58 1.43 -1.23 -4.95 118.68 112.18 1mss s LEU 154 Ca 0.08 0.00 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1mss s LEU 154 Cb 0.06 -2.70 0.01 0.00 0.03 0.00 0.00 46.19 43.59 1mss s LEU 154 CO 0.11 -0.01 0.62 -0.54 0.23 0.00 0.00 176.35 176.75 1mss s LYS 155 N -3.61 2.93 0.53 1.70 3.01 -1.26 -4.96 119.74 118.06 1mss s LYS 155 Ca 0.33 -0.84 0.20 0.00 -1.01 0.00 0.00 55.97 54.65 1mss s LYS 155 Cb -0.09 -2.66 1.34 0.00 -1.01 0.00 0.00 37.83 35.41 1mss s LYS 155 CO 0.27 -0.27 2.10 -0.22 0.51 0.00 0.00 175.35 177.75 1mss h LYS 156 N 0.52 0.00 -0.09 1.68 3.64 -1.96 -1.96 116.57 118.39 1mss h LYS 156 Ca -0.44 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.75 1mss h LYS 156 Cb 1.27 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1mss h LYS 156 CO 0.53 0.00 -0.75 0.00 -2.27 0.00 0.00 179.45 176.96 1mss h ALA 157 N 1.91 0.53 0.00 5.00 0.00 -2.00 -3.26 119.26 121.43 1mss h ALA 157 Ca 0.08 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1mss h ALA 157 Cb 0.33 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1mss h ALA 157 CO -0.00 0.75 -0.02 -0.44 0.00 0.00 0.00 179.25 179.53 1mss h ASP 158 N 0.33 0.00 -0.29 0.00 3.32 -1.73 -2.95 116.42 115.11 1mss h ASP 158 Ca -0.04 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.10 1mss h ASP 158 Cb 1.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 1mss h ASP 158 CO 0.13 0.02 0.27 -0.50 -1.72 0.00 0.00 179.24 177.45 1mss h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.61 0.18 115.95 123.13 1mss h TRP 159 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1mss h TRP 159 Cb 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.21 1mss h TRP 159 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 1mss n ALA 160 N -2.42 1.48 0.01 1.49 0.00 -1.11 -0.87 120.51 119.08 1mss n ALA 160 Ca 0.04 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.49 1mss n ALA 160 Cb 0.42 -1.12 0.10 0.00 0.00 0.00 0.00 19.45 18.85 1mss n ALA 160 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1mss n LYS 161 N -1.33 2.14 -4.80 0.00 4.76 0.05 -5.01 118.16 113.97 1mss n LYS 161 Ca 0.03 -1.68 -0.33 0.00 -2.87 0.00 0.00 58.31 53.47 1mss n LYS 161 Cb 0.06 -1.20 -0.13 0.00 -1.84 0.00 0.00 35.03 31.93 1mss n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1mss s VAL 162 N -0.92 3.16 -0.05 -0.18 1.01 -0.05 -1.18 120.40 122.19 1mss s VAL 162 Ca 0.16 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.42 1mss s VAL 162 Cb 0.09 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1mss s VAL 162 CO 0.12 0.55 -0.13 -0.69 0.00 0.00 0.00 175.10 174.95 1mss s VAL 163 N -0.78 1.15 -0.15 2.92 1.01 0.10 -4.59 120.40 120.07 1mss s VAL 163 Ca 0.12 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1mss s VAL 163 Cb -0.11 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1mss s VAL 163 CO 0.02 0.35 0.11 -0.63 0.00 0.00 0.00 175.10 174.95 1mss s ILE 164 N 0.41 5.24 -0.23 2.22 -1.09 -0.31 -0.15 121.20 127.29 1mss s ILE 164 Ca -0.10 0.12 0.01 0.00 -2.23 0.00 0.00 60.65 58.45 1mss s ILE 164 Cb -0.13 -3.32 0.06 0.00 -1.58 0.00 0.00 42.46 37.48 1mss s ILE 164 CO 0.03 0.54 -0.07 0.00 -1.23 0.00 0.00 174.94 174.20 1mss s ALA 165 N -0.37 2.08 -0.18 9.38 0.00 0.10 0.27 121.76 133.05 1mss s ALA 165 Ca 0.11 -1.41 -0.27 0.00 0.00 0.00 0.00 51.96 50.39 1mss s ALA 165 Cb -0.12 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 1mss s ALA 165 CO 0.01 -1.12 0.91 -0.47 0.00 0.00 0.00 175.76 175.09 1mss s TYR 166 N 1.34 3.41 -0.35 0.00 5.04 0.09 -1.89 117.35 124.99 1mss s TYR 166 Ca -0.06 1.35 -0.06 0.00 -2.44 0.00 0.00 57.07 55.87 1mss s TYR 166 Cb -0.19 -3.10 0.05 0.00 0.35 0.00 0.00 41.96 39.07 1mss s TYR 166 CO -0.06 -0.30 0.11 -1.21 -1.34 0.00 0.00 175.55 172.75 1mss s GLU 167 N 2.39 2.52 -1.05 4.97 2.02 0.99 0.18 118.70 130.71 1mss s GLU 167 Ca 0.41 -1.29 -0.19 0.00 0.02 0.00 0.00 54.97 53.92 1mss s GLU 167 Cb -0.16 -3.46 -0.08 0.00 0.10 0.00 0.00 34.13 30.53 1mss s GLU 167 CO 0.12 -0.73 2.05 -0.35 0.02 0.00 0.00 175.26 176.36 1mss n PRO 168 N 4.77 2.05 -0.02 0.39 -0.04 -1.26 -3.93 135.00 136.97 1mss n PRO 168 Ca -0.11 -2.16 0.23 0.00 -0.04 0.00 0.00 63.50 61.41 1mss n PRO 168 Cb 0.44 -3.08 0.72 0.00 -0.04 0.00 0.00 33.50 31.54 1mss n PRO 168 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1mss h VAL 169 N 4.31 0.52 0.00 0.52 2.07 -1.86 0.34 116.25 122.15 1mss h VAL 169 Ca 0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.00 1mss h VAL 169 Cb 0.66 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1mss h VAL 169 CO 1.92 0.00 0.00 -2.67 0.02 0.00 0.00 177.57 176.84 1mss n TRP 170 N -4.05 0.57 -0.07 1.57 4.27 -0.89 -2.19 117.44 116.64 1mss n TRP 170 Ca 0.12 0.24 0.04 0.00 -3.89 0.00 0.00 57.50 54.00 1mss n TRP 170 Cb 0.73 -0.88 0.10 0.00 -1.36 0.00 0.00 31.31 29.90 1mss n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1mss n ALA 171 N -1.70 2.17 -2.76 -1.67 0.00 0.12 -4.59 120.51 112.08 1mss n ALA 171 Ca 0.02 -1.04 -0.42 0.00 0.00 0.00 0.00 53.44 51.99 1mss n ALA 171 Cb 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 1mss n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1mss s ILE 172 N -0.96 4.28 0.00 0.00 -1.09 -0.93 -4.23 121.20 118.27 1mss s ILE 172 Ca 0.16 -0.81 0.00 0.00 -2.23 0.00 0.00 60.65 57.77 1mss s ILE 172 Cb 0.08 -4.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.11 1mss s ILE 172 CO 0.11 -1.66 0.00 0.61 -1.23 0.00 0.00 174.94 172.77 1mss n GLY 173 N 5.83 0.48 0.06 6.18 0.00 -1.26 -4.85 105.19 111.63 1mss n GLY 173 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1mss n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mss n THR 174 N -2.09 0.51 0.00 2.61 -2.24 -1.26 -4.88 114.28 106.93 1mss n THR 174 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1mss n THR 174 Cb 0.04 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 1mss n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mss n GLY 175 N 0.91 3.41 3.78 3.38 0.00 -1.26 -5.04 105.19 110.38 1mss n GLY 175 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1mss n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mss s LYS 176 N -0.83 3.11 -0.09 1.61 -0.14 -1.26 -5.05 119.74 117.08 1mss s LYS 176 Ca 0.00 1.35 -0.02 0.00 -1.36 0.00 0.00 55.97 55.94 1mss s LYS 176 Cb 0.00 -1.99 0.03 0.00 -1.68 0.00 0.00 37.83 34.19 1mss s LYS 176 CO 0.00 -1.00 0.01 0.14 -0.76 0.00 0.00 175.35 173.74 1mss s VAL 177 N -2.29 0.40 -0.38 3.17 -7.23 -1.26 -4.72 120.40 108.09 1mss s VAL 177 Ca 0.66 0.01 -0.29 0.00 -1.81 0.00 0.00 61.98 60.55 1mss s VAL 177 Cb -0.19 -0.62 0.02 0.00 0.56 0.00 0.00 36.38 36.15 1mss s VAL 177 CO 0.37 0.18 1.10 0.00 -0.31 0.00 0.00 175.10 176.44 1mss s ALA 178 N 1.96 3.38 0.59 1.32 0.00 -1.26 -5.01 121.76 122.73 1mss s ALA 178 Ca 0.04 -0.20 -0.16 0.00 0.00 0.00 0.00 51.96 51.63 1mss s ALA 178 Cb -0.13 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 1mss s ALA 178 CO -0.06 -1.76 1.07 0.95 0.00 0.00 0.00 175.76 175.96 1mss s THR 179 N 3.94 3.70 0.53 0.00 -4.23 -1.26 -4.88 115.64 113.44 1mss s THR 179 Ca 0.46 0.84 0.28 0.00 -1.18 0.00 0.00 61.69 62.09 1mss s THR 179 Cb -0.10 -3.35 0.44 0.00 1.34 0.00 0.00 72.50 70.83 1mss s THR 179 CO 0.21 -0.45 1.94 -0.65 -0.54 0.00 0.00 174.62 175.13 1mss h PRO 180 N 0.52 0.03 -0.36 3.99 0.11 -1.95 0.03 132.00 134.36 1mss h PRO 180 Ca -0.47 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1mss h PRO 180 Cb 1.23 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1mss h PRO 180 CO 0.57 0.02 -0.31 1.96 -0.21 0.00 0.00 178.00 180.03 1mss h GLN 181 N 0.03 0.79 -0.45 1.05 7.50 -1.96 -2.69 115.11 119.38 1mss h GLN 181 Ca 0.35 -0.37 -0.13 0.00 0.50 0.00 0.00 58.65 59.00 1mss h GLN 181 Cb 1.34 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.85 1mss h GLN 181 CO -0.01 0.99 -0.23 1.96 -1.50 0.00 0.00 178.83 180.04 1mss h GLN 182 N 0.67 0.93 -0.00 1.46 4.20 -1.35 -2.92 115.11 118.10 1mss h GLN 182 Ca 0.07 -0.40 0.02 0.00 0.06 0.00 0.00 58.65 58.41 1mss h GLN 182 Cb 0.85 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 1mss h GLN 182 CO 0.07 1.06 -0.14 0.00 -0.67 0.00 0.00 178.83 179.16 1mss h ALA 183 N 0.92 -0.16 -0.88 3.87 0.00 -1.37 -2.11 119.26 119.53 1mss h ALA 183 Ca 0.10 0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.22 1mss h ALA 183 Cb 0.79 0.24 -0.12 0.00 0.00 0.00 0.00 17.79 18.71 1mss h ALA 183 CO 0.07 -0.63 0.40 0.37 0.00 0.00 0.00 179.25 179.46 1mss h GLN 184 N -0.23 0.44 0.19 0.00 5.75 -1.40 -0.42 115.11 119.44 1mss h GLN 184 Ca 0.05 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1mss h GLN 184 Cb 0.29 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 1mss h GLN 184 CO -0.14 0.29 -0.23 0.93 -2.65 0.00 0.00 178.83 177.03 1mss h GLU 185 N 0.45 -0.46 -0.21 1.69 5.08 -1.20 0.15 114.58 120.10 1mss h GLU 185 Ca 0.53 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.97 1mss h GLU 185 Cb 0.96 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 1mss h GLU 185 CO -0.49 -0.30 -0.09 0.00 -1.00 0.00 0.00 179.01 177.13 1mss h ALA 186 N 0.24 0.09 -0.67 3.43 0.00 -0.84 0.16 119.26 121.68 1mss h ALA 186 Ca 0.01 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1mss h ALA 186 Cb 0.46 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1mss h ALA 186 CO -0.08 -0.51 0.41 0.45 0.00 0.00 0.00 179.25 179.52 1mss h HIS 187 N -0.05 0.77 -0.79 0.00 3.86 -0.92 -0.49 115.15 117.53 1mss h HIS 187 Ca 0.11 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 1mss h HIS 187 Cb 0.22 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 1mss h HIS 187 CO -0.25 0.43 0.30 0.00 0.86 0.00 0.00 177.93 179.27 1mss h ALA 188 N 1.29 1.03 -0.66 2.45 0.00 -0.06 -0.44 119.26 122.87 1mss h ALA 188 Ca 0.27 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1mss h ALA 188 Cb 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1mss h ALA 188 CO -0.11 0.67 0.43 1.25 0.00 0.00 0.00 179.25 181.49 1mss h LEU 189 N 1.16 0.76 -0.31 0.00 5.85 -0.05 -1.84 115.31 120.88 1mss h LEU 189 Ca 0.26 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 1mss h LEU 189 Cb 0.24 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1mss h LEU 189 CO -0.02 0.55 -0.06 0.40 -0.34 0.00 0.00 178.44 178.97 1mss h ILE 190 N 0.89 1.28 0.00 4.05 2.04 -0.66 -3.03 117.51 122.08 1mss h ILE 190 Ca 0.24 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 1mss h ILE 190 Cb -0.10 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1mss h ILE 190 CO -0.05 0.35 -0.22 -0.09 0.00 0.00 0.00 178.15 178.14 1mss h ARG 191 N 0.37 0.00 0.63 2.37 2.43 -0.91 -3.00 114.38 116.26 1mss h ARG 191 Ca 0.08 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1mss h ARG 191 Cb 0.54 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1mss h ARG 191 CO 0.03 0.22 -0.30 0.66 -1.51 0.00 0.00 179.97 179.06 1mss h SER 192 N 0.00 -0.71 -0.98 -3.80 4.64 -1.22 -1.79 113.55 109.69 1mss h SER 192 Ca -0.00 -0.02 0.25 0.00 -0.47 0.00 0.00 61.79 61.55 1mss h SER 192 Cb 0.40 0.18 -0.13 0.00 -0.31 0.00 0.00 62.40 62.54 1mss h SER 192 CO 0.03 -0.35 0.55 -0.25 -0.87 0.00 0.00 176.83 175.94 1mss h TRP 193 N -1.12 0.94 0.36 4.77 7.01 -1.52 0.24 115.95 126.63 1mss h TRP 193 Ca -0.09 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.93 1mss h TRP 193 Cb 0.69 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.49 1mss h TRP 193 CO 0.00 0.01 -0.18 0.28 -2.79 0.00 0.00 178.44 175.77 1mss h VAL 194 N 0.51 0.62 -0.64 2.65 2.07 -1.50 1.24 116.25 121.20 1mss h VAL 194 Ca 0.64 -0.46 0.11 0.00 0.82 0.00 0.00 66.70 67.81 1mss h VAL 194 Cb 1.25 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1mss h VAL 194 CO -0.50 0.08 0.43 -1.28 0.02 0.00 0.00 177.57 176.32 1mss h SER 195 N -0.76 0.40 0.30 0.57 0.87 -0.29 0.72 113.55 115.36 1mss h SER 195 Ca -0.05 0.01 -0.33 0.00 -1.23 0.00 0.00 61.79 60.19 1mss h SER 195 Cb 0.51 -0.07 0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1mss h SER 195 CO 0.08 0.24 -1.55 -1.28 -0.53 0.00 0.00 176.83 173.79 1mss h SER 196 N 0.44 0.70 0.00 6.23 0.87 -0.37 -3.21 113.55 118.20 1mss h SER 196 Ca 0.30 -0.84 -0.07 0.00 -1.23 0.00 0.00 61.79 59.95 1mss h SER 196 Cb 0.58 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1mss h SER 196 CO -0.09 1.68 -0.74 0.29 -0.53 0.00 0.00 176.83 177.44 1mss n LYS 197 N -3.63 0.48 -0.04 2.24 4.76 0.42 -4.71 118.16 117.68 1mss n LYS 197 Ca -0.19 0.54 -0.17 0.00 -2.87 0.00 0.00 58.31 55.62 1mss n LYS 197 Cb 1.08 -1.70 -0.13 0.00 -1.84 0.00 0.00 35.03 32.44 1mss n LYS 197 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1mss h ILE 198 N -1.00 1.56 0.00 -0.18 1.08 0.21 -3.50 117.51 115.68 1mss h ILE 198 Ca -0.10 -2.38 0.00 0.00 -0.39 0.00 0.00 64.86 61.99 1mss h ILE 198 Cb 0.74 3.15 0.00 0.00 -3.07 0.00 0.00 36.82 37.65 1mss h ILE 198 CO -0.06 0.61 0.00 0.61 -0.69 0.00 0.00 178.15 178.61 1mss n GLY 199 N 1.61 4.00 0.19 5.37 0.00 0.00 -4.91 105.19 111.45 1mss n GLY 199 Ca -0.15 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 1mss n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mss h ALA 200 N 0.00 0.48 -0.14 4.61 0.00 -1.82 -0.82 119.26 121.56 1mss h ALA 200 Ca 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1mss h ALA 200 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1mss h ALA 200 CO 0.00 0.21 0.10 0.38 0.00 0.00 0.00 179.25 179.94 1mss h ASP 201 N 0.43 0.07 0.01 0.00 2.03 -1.94 0.15 116.42 117.17 1mss h ASP 201 Ca 0.11 -0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.38 1mss h ASP 201 Cb 0.40 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 1mss h ASP 201 CO 0.01 0.05 -0.11 0.58 -1.03 0.00 0.00 179.24 178.74 1mss h VAL 202 N 0.08 1.66 0.00 4.15 2.07 -1.83 -3.19 116.25 119.19 1mss h VAL 202 Ca 0.06 -2.09 -0.02 0.00 0.82 0.00 0.00 66.70 65.47 1mss h VAL 202 Cb 0.15 3.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1mss h VAL 202 CO -0.01 0.55 -0.12 0.00 0.02 0.00 0.00 177.57 178.02 1mss h ALA 203 N 0.14 1.30 -0.03 1.67 0.00 -0.80 -2.58 119.26 118.96 1mss h ALA 203 Ca -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1mss h ALA 203 Cb 0.97 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1mss h ALA 203 CO 0.02 0.14 -0.01 0.78 0.00 0.00 0.00 179.25 180.19 1mss h GLY 204 N 0.82 0.07 -3.51 0.00 0.00 -0.76 -3.23 103.07 96.45 1mss h GLY 204 Ca -0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 1mss h GLY 204 CO 0.01 0.05 0.13 -1.84 0.00 0.00 0.00 176.54 174.90 1mss n GLU 205 N -4.87 4.18 -3.39 4.80 0.28 -1.13 -4.57 120.64 115.93 1mss n GLU 205 Ca -0.07 -2.95 -0.38 0.00 -0.16 0.00 0.00 57.16 53.60 1mss n GLU 205 Cb 0.21 -2.20 -0.06 0.00 1.43 0.00 0.00 31.44 30.81 1mss n GLU 205 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1mss s LEU 206 N -2.71 4.36 -0.14 -1.84 2.96 -0.99 -4.92 118.68 115.42 1mss s LEU 206 Ca 0.52 0.88 -0.18 0.00 -0.22 0.00 0.00 54.13 55.12 1mss s LEU 206 Cb 0.41 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1mss s LEU 206 CO 0.14 0.14 0.50 -0.13 -1.32 0.00 0.00 176.35 175.68 1mss s ARG 207 N -0.11 4.31 -0.33 1.98 3.00 -1.26 -4.87 118.95 121.67 1mss s ARG 207 Ca 0.25 0.46 0.03 0.00 0.00 0.00 0.00 55.73 56.47 1mss s ARG 207 Cb -0.16 -3.47 0.10 0.00 0.00 0.00 0.00 34.95 31.42 1mss s ARG 207 CO 0.12 0.07 0.06 0.42 0.00 0.00 0.00 175.30 175.96 1mss s ILE 208 N 0.90 1.94 0.39 1.52 1.01 -1.25 -1.16 121.20 124.55 1mss s ILE 208 Ca 0.26 -2.09 -0.12 0.00 0.00 0.00 0.00 60.65 58.70 1mss s ILE 208 Cb -0.15 -2.43 -0.07 0.00 0.01 0.00 0.00 42.46 39.82 1mss s ILE 208 CO 0.10 -0.60 0.78 -0.76 0.00 0.00 0.00 174.94 174.47 1mss s LEU 209 N 1.08 3.87 -0.40 2.97 1.43 0.14 -1.45 118.68 126.32 1mss s LEU 209 Ca 0.10 1.20 -0.16 0.00 -1.03 0.00 0.00 54.13 54.24 1mss s LEU 209 Cb -0.19 -4.07 0.01 0.00 0.03 0.00 0.00 46.19 41.98 1mss s LEU 209 CO -0.12 -0.37 0.36 -0.47 0.23 0.00 0.00 176.35 175.98 1mss s TYR 210 N -2.31 3.20 -0.45 0.29 5.04 -0.50 -0.73 117.35 121.89 1mss s TYR 210 Ca 0.52 -0.36 0.03 0.00 -2.44 0.00 0.00 57.07 54.82 1mss s TYR 210 Cb -0.10 -2.72 0.59 0.00 0.35 0.00 0.00 41.96 40.08 1mss s TYR 210 CO 0.28 -0.58 1.89 0.41 -1.34 0.00 0.00 175.55 176.21 1mss n GLY 211 N 5.10 4.56 0.00 8.97 0.00 0.13 -2.15 105.19 121.79 1mss n GLY 211 Ca -0.09 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1mss n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mss n GLY 212 N -0.98 1.85 3.62 -0.02 0.00 -1.26 -4.53 105.19 103.87 1mss n GLY 212 Ca 0.56 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 1mss n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mss s SER 213 N -1.00 6.49 0.20 1.61 0.15 -1.26 -4.84 113.70 115.04 1mss s SER 213 Ca 0.00 1.15 0.08 0.00 0.70 0.00 0.00 55.95 57.89 1mss s SER 213 Cb 0.00 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 1mss s SER 213 CO 0.00 -1.25 -0.16 0.68 1.20 0.00 0.00 173.24 173.71 1mss s VAL 214 N 4.94 1.83 0.24 4.45 -7.23 -1.26 -5.03 120.40 118.35 1mss s VAL 214 Ca 0.61 -2.12 -0.04 0.00 -1.81 0.00 0.00 61.98 58.62 1mss s VAL 214 Cb -0.17 -1.99 0.02 0.00 0.56 0.00 0.00 36.38 34.80 1mss s VAL 214 CO 0.28 -0.48 0.39 -0.46 -0.31 0.00 0.00 175.10 174.52 1mss n ASN 215 N -0.16 -1.10 -0.27 4.85 0.23 -1.26 -4.85 115.26 112.71 1mss n ASN 215 Ca -0.10 -2.19 -0.02 0.00 -0.53 0.00 0.00 54.58 51.75 1mss n ASN 215 Cb 0.59 1.96 0.10 0.00 -2.08 0.00 0.00 39.78 40.35 1mss n ASN 215 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1mss h GLY 216 N 1.31 1.11 0.53 4.83 0.00 -1.92 -0.70 103.07 108.22 1mss h GLY 216 Ca -0.19 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1mss h GLY 216 CO 0.26 0.26 -0.25 0.50 0.00 0.00 0.00 176.54 177.30 1mss h LYS 217 N 0.87 -0.69 0.00 4.80 1.57 -1.97 -3.33 116.57 117.82 1mss h LYS 217 Ca 0.32 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1mss h LYS 217 Cb 0.10 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1mss h LYS 217 CO -0.14 -0.46 0.00 -2.95 -0.57 0.00 0.00 179.45 175.33 1mss h ASN 218 N -1.00 0.00 -0.17 0.86 -1.07 -1.97 -3.24 115.58 108.99 1mss h ASN 218 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.30 1mss h ASN 218 Cb 0.54 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.79 1mss h ASN 218 CO 0.12 0.00 0.11 0.00 0.07 0.00 0.00 177.43 177.73 1mss h ALA 219 N 2.36 1.86 0.23 4.14 0.00 -1.23 -1.16 119.26 125.47 1mss h ALA 219 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1mss h ALA 219 Cb 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1mss h ALA 219 CO 0.00 0.12 -0.11 -0.09 0.00 0.00 0.00 179.25 179.17 1mss h ARG 220 N 0.24 -0.30 -0.80 0.00 1.12 -1.74 -1.87 114.38 111.03 1mss h ARG 220 Ca 0.06 0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 58.91 1mss h ARG 220 Cb -0.01 0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 29.98 1mss h ARG 220 CO -0.01 0.07 0.34 1.79 -3.11 0.00 0.00 179.97 179.05 1mss h THR 221 N -0.80 1.26 -0.15 0.20 1.35 -1.73 -1.63 112.91 111.42 1mss h THR 221 Ca -0.03 -0.79 0.04 0.00 -0.55 0.00 0.00 66.41 65.08 1mss h THR 221 Cb 0.51 0.28 -0.04 0.00 -1.73 0.00 0.00 68.15 67.17 1mss h THR 221 CO 0.05 0.33 -0.09 -0.07 -0.25 0.00 0.00 175.52 175.49 1mss h LEU 222 N 1.16 -0.30 -1.31 3.87 3.38 -1.26 -2.49 115.31 118.36 1mss h LEU 222 Ca 0.27 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.25 1mss h LEU 222 Cb 0.18 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1mss h LEU 222 CO -0.03 -0.12 -0.27 0.22 0.09 0.00 0.00 178.44 178.33 1mss h TYR 223 N -0.09 0.00 0.00 1.13 3.20 -1.02 -2.53 116.97 117.66 1mss h TYR 223 Ca 0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1mss h TYR 223 Cb 0.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1mss h TYR 223 CO -0.23 0.27 0.00 0.00 -1.64 0.00 0.00 178.16 176.56 1mss n GLN 224 N -3.63 0.30 -2.52 1.82 10.64 -0.64 -4.71 117.38 118.64 1mss n GLN 224 Ca -0.01 0.09 -0.41 0.00 -1.83 0.00 0.00 57.00 54.85 1mss n GLN 224 Cb 0.40 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.23 1mss n GLN 224 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1mss s GLN 225 N -2.34 4.63 0.20 2.61 -1.52 -0.96 -4.96 119.66 117.31 1mss s GLN 225 Ca 0.17 1.72 -0.12 0.00 -1.95 0.00 0.00 55.36 55.18 1mss s GLN 225 Cb 0.10 -3.26 0.24 0.00 -0.22 0.00 0.00 33.01 29.87 1mss s GLN 225 CO 0.19 0.14 1.70 -0.09 -0.25 0.00 0.00 175.29 176.99 1mss h ARG 226 N 4.71 0.20 -0.65 2.91 2.43 -1.89 -2.84 114.38 119.25 1mss h ARG 226 Ca -0.45 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1mss h ARG 226 Cb 1.21 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1mss h ARG 226 CO 0.71 0.13 0.00 -0.25 -1.51 0.00 0.00 179.97 179.05 1mss n ASP 227 N -5.16 3.64 -4.57 -3.80 8.00 -1.26 -4.87 116.55 108.52 1mss n ASP 227 Ca 0.07 -2.08 -0.39 0.00 0.71 0.00 0.00 54.79 53.10 1mss n ASP 227 Cb 0.29 -0.46 -0.10 0.00 -0.02 0.00 0.00 41.12 40.83 1mss n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1mss s VAL 228 N -1.27 5.25 -0.18 2.53 1.01 -1.07 -4.61 120.40 122.07 1mss s VAL 228 Ca 0.44 0.16 0.15 0.00 0.00 0.00 0.00 61.98 62.73 1mss s VAL 228 Cb 0.24 -3.65 0.37 0.00 0.00 0.00 0.00 36.38 33.34 1mss s VAL 228 CO 0.28 0.12 1.22 0.59 0.00 0.00 0.00 175.10 177.32 1mss n ASN 229 N 5.18 2.25 0.00 3.32 4.13 -0.53 -4.80 115.26 124.81 1mss n ASN 229 Ca -0.12 -3.44 0.00 0.00 1.68 0.00 0.00 54.58 52.70 1mss n ASN 229 Cb 0.51 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 38.26 1mss n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mss n GLY 230 N -1.22 -0.15 3.03 7.41 0.00 -1.26 -2.33 105.19 110.68 1mss n GLY 230 Ca 0.19 -1.59 -0.08 0.00 0.00 0.00 0.00 46.02 44.54 1mss n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mss s PHE 231 N -2.46 0.37 -0.59 1.61 0.08 -0.29 -1.41 117.98 115.28 1mss s PHE 231 Ca 0.00 -0.76 0.04 0.00 0.12 0.00 0.00 56.93 56.34 1mss s PHE 231 Cb 0.00 -0.27 0.16 0.00 -0.57 0.00 0.00 43.02 42.34 1mss s PHE 231 CO 0.00 -0.28 0.42 -1.17 -0.10 0.00 0.00 175.22 174.09 1mss s LEU 232 N -2.12 3.70 0.11 -0.37 2.96 -0.91 -1.42 118.68 120.63 1mss s LEU 232 Ca -0.06 -3.50 -0.29 0.00 -0.22 0.00 0.00 54.13 50.06 1mss s LEU 232 Cb -0.02 -1.26 -0.06 0.00 0.50 0.00 0.00 46.19 45.35 1mss s LEU 232 CO -0.05 -0.13 0.93 -0.69 -1.32 0.00 0.00 176.35 175.09 1mss s VAL 233 N -0.84 4.51 0.31 1.68 1.01 -0.39 -4.57 120.40 122.11 1mss s VAL 233 Ca 0.26 2.00 -0.11 0.00 0.00 0.00 0.00 61.98 64.12 1mss s VAL 233 Cb -0.05 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 32.09 1mss s VAL 233 CO -0.15 0.34 0.62 0.61 0.00 0.00 0.00 175.10 176.51 1mss n GLY 234 N 2.21 1.24 7.00 4.51 0.00 -1.26 0.44 105.19 119.33 1mss n GLY 234 Ca 0.01 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1mss n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mss n GLY 235 N -0.42 2.80 0.00 -0.02 0.00 -1.26 -1.73 105.19 104.56 1mss n GLY 235 Ca -0.07 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.68 1mss n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mss n ALA 236 N 9.67 1.86 0.36 4.61 0.00 -1.26 -2.28 120.51 133.48 1mss n ALA 236 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1mss n ALA 236 Cb 0.00 -1.29 0.22 0.00 0.00 0.00 0.00 19.45 18.38 1mss n ALA 236 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1mss h SER 237 N 0.00 0.00 -2.77 0.00 0.02 -1.66 -3.43 113.55 105.71 1mss h SER 237 Ca 0.00 -0.02 -0.57 0.00 -0.84 0.00 0.00 61.79 60.36 1mss h SER 237 Cb 0.28 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.72 1mss h SER 237 CO 0.00 0.01 0.84 -0.22 -1.14 0.00 0.00 176.83 176.32 1mss s LEU 238 N -5.45 3.65 0.33 5.07 0.20 -0.96 -4.77 118.68 116.75 1mss s LEU 238 Ca 0.07 -0.42 -0.09 0.00 0.69 0.00 0.00 54.13 54.38 1mss s LEU 238 Cb 0.08 -2.72 0.02 0.00 -0.43 0.00 0.00 46.19 43.14 1mss s LEU 238 CO 0.67 -1.56 0.58 -0.54 -0.29 0.00 0.00 176.35 175.21 1mss s LYS 239 N 4.88 1.93 0.62 1.98 1.02 -1.26 -4.94 119.74 123.98 1mss s LYS 239 Ca 0.33 -1.53 0.27 0.00 0.02 0.00 0.00 55.97 55.06 1mss s LYS 239 Cb -0.11 0.51 1.36 0.00 -0.52 0.00 0.00 37.83 39.07 1mss s LYS 239 CO 0.17 -0.84 1.78 -1.35 -0.92 0.00 0.00 175.35 174.18 1mss h PRO 240 N 2.10 0.00 0.00 -1.68 0.11 -2.00 0.31 132.00 130.84 1mss h PRO 240 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1mss h PRO 240 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1mss h PRO 240 CO 0.38 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.32 1mss n GLU 241 N -3.27 0.02 -0.18 1.05 0.00 -1.26 -2.33 120.64 114.67 1mss n GLU 241 Ca 0.05 0.38 0.18 0.00 0.00 0.00 0.00 57.16 57.77 1mss n GLU 241 Cb 0.67 -1.50 0.54 0.00 0.00 0.00 0.00 31.44 31.15 1mss n GLU 241 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1mss h PHE 242 N 0.00 0.43 -0.77 -1.84 3.57 -0.70 0.23 116.94 117.86 1mss h PHE 242 Ca 0.00 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.57 1mss h PHE 242 Cb 0.08 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.63 1mss h PHE 242 CO 0.00 0.14 0.46 0.28 -2.23 0.00 0.00 178.31 176.96 1mss h VAL 243 N 0.35 1.01 -0.70 1.41 2.07 -1.71 -0.96 116.25 117.72 1mss h VAL 243 Ca 0.40 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 1mss h VAL 243 Cb 1.04 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1mss h VAL 243 CO -0.12 0.15 0.29 0.44 0.02 0.00 0.00 177.57 178.35 1mss h ASP 244 N 0.84 0.94 -0.59 0.57 3.32 -0.78 -2.50 116.42 118.23 1mss h ASP 244 Ca 0.34 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1mss h ASP 244 Cb 0.18 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1mss h ASP 244 CO -0.18 0.83 0.36 0.40 -1.72 0.00 0.00 179.24 178.93 1mss h ILE 245 N 1.01 1.17 -0.16 0.35 2.04 -0.85 -2.46 117.51 118.61 1mss h ILE 245 Ca 0.24 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.77 1mss h ILE 245 Cb 0.18 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 1mss h ILE 245 CO -0.02 0.17 -0.20 0.40 0.00 0.00 0.00 178.15 178.50 1mss h ILE 246 N 0.79 0.48 -0.71 -0.67 2.04 -0.88 -1.78 117.51 116.78 1mss h ILE 246 Ca 0.21 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.18 1mss h ILE 246 Cb -0.03 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 1mss h ILE 246 CO -0.04 0.00 0.47 0.11 0.00 0.00 0.00 178.15 178.69 1mss h LYS 247 N -0.24 0.53 -0.00 2.37 1.57 -1.20 -2.09 116.57 117.51 1mss h LYS 247 Ca 0.11 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1mss h LYS 247 Cb 0.41 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1mss h LYS 247 CO -0.30 0.35 0.03 0.00 -0.57 0.00 0.00 179.45 178.96 1mss h ALA 248 N 1.65 1.08 0.00 3.86 0.00 -0.86 -3.18 119.26 121.80 1mss h ALA 248 Ca 0.33 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 1mss h ALA 248 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1mss h ALA 248 CO -0.11 -0.03 -0.20 0.25 0.00 0.00 0.00 179.25 179.16 1mss n THR 249 N -3.13 2.40 0.21 0.00 -2.24 -0.79 -4.78 114.28 105.95 1mss n THR 249 Ca -0.03 -1.03 0.02 0.00 -2.27 0.00 0.00 64.05 60.75 1mss n THR 249 Cb 0.10 -1.77 0.02 0.00 -2.10 0.00 0.00 70.33 66.58 1mss n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50